data_4091 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C, and 13CO Assignments and Secondary Structure Determination of Basic Fibroblast Growth Factor using 3D Heteronuclear NMR Spectroscopy ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moy Franklin J. . 2 Seddon Andrew P. . 3 Campbell Ernest B. . 4 Bohlen Peter . . 5 Powers Robert . . stop_ _BMRB_accession_number 4091 _BMRB_flat_file_name bmr4091.str _Entry_type new _Submission_date 1998-01-06 _Accession_date 1998-01-08 _Entry_origination BMRB _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 918 '13C chemical shifts' 686 '15N chemical shifts' 151 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Moy, F. J., Seddon, A. P., Campbell, E. B., Bohlen, P., and Powers, R., "1H, 15N, 13C, and 13CO Assignments and Secondary Structure Determination of Basic Fibroblast Growth Factor using 3D Heteronuclear NMR Spectroscopy," J. Biomol. NMR 6, 245-254 (1995). ; _Citation_title ; 1H, 15N, 13C, and 13CO Assignments and Secondary Structure Determination of Basic Fibroblast Growth Factor using 3D Heteronuclear NMR Spectroscopy ; _Citation_status published _Citation_type journal loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moy Franklin J. . 2 Seddon Andrew P. . 3 Campbell Ernest B. . 4 Bohlen Peter . . 5 Powers Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 6 _Page_first 245 _Page_last 254 _Year 1995 loop_ _Keyword 'Basic Fibroblast Growth Factor' stop_ save_ ################################## # Molecular system description # ################################## save_system_FGF-2 _Saveframe_category molecular_system _Mol_system_name 'basic fibroblast growth factor' _Abbreviation_common FGF-2 loop_ _Mol_system_component_name _Mol_label FGF-2 $FGF-2 stop_ _System_molecular_weight 17200 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no loop_ _Biological_function 'Exhibits angiogenic and a variety of growth and differentiation activities' stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1BLA "Basic Fibroblast Growth Factor (Fgf-2) Mutant With Cys 78 Replaced By Ser And Cys 96 Replaced By Ser, Nmr" . PDB 1BLD "Basic Fibroblast Growth Factor (Fgf-2) Mutant With Cys 78 Replaced By Ser And Cys 96 Replaced By Ser, Nmr" . PDB 1BAS "Basic Fibroblast Growth Factor (Bfgf) Mutant With Cys 70 Replaced By Ser And Cys 88 Replaced By Ser (C70s,C88s)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_FGF-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'basic fibroblast Growth Factor' _Name_variant . _Abbreviation_common FGF-2 _Molecular_mass 17200 ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; AEGEITTLPALPEDGGSGAF PPGHFKDPKRLYCKNGGFFL RIHPDGRVDGVREKSDPHIK LQLQAEERGVVSIKGVSANR YLAMKEDGRLLASKSVTDEC FFFERLESNNYNTYRSRKYT SWYVALKRTGQYKLGSKTGP GQKAILFLPMSAKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ALA 2 3 GLU 3 4 GLY 4 5 GLU 5 6 ILE 6 7 THR 7 8 THR 8 9 LEU 9 10 PRO 10 11 ALA 11 12 LEU 12 13 PRO 13 14 GLU 14 15 ASP 15 16 GLY 16 17 GLY 17 18 SER 18 19 GLY 19 20 ALA 20 21 PHE 21 22 PRO 22 23 PRO 23 24 GLY 24 25 HIS 25 26 PHE 26 27 LYS 27 28 ASP 28 29 PRO 29 30 LYS 30 31 ARG 31 32 LEU 32 33 TYR 33 34 CYS 34 35 LYS 35 36 ASN 36 37 GLY 37 38 GLY 38 39 PHE 39 40 PHE 40 41 LEU 41 42 ARG 42 43 ILE 43 44 HIS 44 45 PRO 45 46 ASP 46 47 GLY 47 48 ARG 48 49 VAL 49 50 ASP 50 51 GLY 51 52 VAL 52 53 ARG 53 54 GLU 54 55 LYS 55 56 SER 56 57 ASP 57 58 PRO 58 59 HIS 59 60 ILE 60 61 LYS 61 62 LEU 62 63 GLN 63 64 LEU 64 65 GLN 65 66 ALA 66 67 GLU 67 68 GLU 68 69 ARG 69 70 GLY 70 71 VAL 71 72 VAL 72 73 SER 73 74 ILE 74 75 LYS 75 76 GLY 76 77 VAL 77 78 SER 78 79 ALA 79 80 ASN 80 81 ARG 81 82 TYR 82 83 LEU 83 84 ALA 84 85 MET 85 86 LYS 86 87 GLU 87 88 ASP 88 89 GLY 89 90 ARG 90 91 LEU 91 92 LEU 92 93 ALA 93 94 SER 94 95 LYS 95 96 SER 96 97 VAL 97 98 THR 98 99 ASP 99 100 GLU 100 101 CYS 101 102 PHE 102 103 PHE 103 104 PHE 104 105 GLU 105 106 ARG 106 107 LEU 107 108 GLU 108 109 SER 109 110 ASN 110 111 ASN 111 112 TYR 112 113 ASN 113 114 THR 114 115 TYR 115 116 ARG 116 117 SER 117 118 ARG 118 119 LYS 119 120 TYR 120 121 THR 121 122 SER 122 123 TRP 123 124 TYR 124 125 VAL 125 126 ALA 126 127 LEU 127 128 LYS 128 129 ARG 129 130 THR 130 131 GLY 131 132 GLN 132 133 TYR 133 134 LYS 134 135 LEU 135 136 GLY 136 137 SER 137 138 LYS 138 139 THR 139 140 GLY 140 141 PRO 141 142 GLY 142 143 GLN 143 144 LYS 144 145 ALA 145 146 ILE 146 147 LEU 147 148 PHE 148 149 LEU 149 150 PRO 150 151 MET 151 152 SER 152 153 ALA 153 154 LYS 154 155 SER stop_ _Sequence_homology_query_date 2003-11-27 _Sequence_homology_query_revised_last_date 2003-11-06 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2BFH "Basic Fibroblast Growth Factor (Wild Type)" 120.31 128 98 98 10e-69 PDB 1BFF "The 154 Amino Acid Form Of Human BasicFibroblast Growth Factor" 119.38 129 98 98 3e-69 PDB 1CVS "A Chain A, Crystal Structure Of A DimericFgf2-Fgfr1 Complex" 116.67 132 100 100 1e-72 PDB 1EV2 "A Chain A, Crystal Structure Of Fgf2 In ComplexWith The Extracellular Ligand Binding Domain Of FgfReceptor 2 (Fgfr2)" 116.67 132 100 100 1e-72 PDB 1FQ9 "A Chain A, Crystal Structure Of A TernaryFgf2-Fgfr1-Heparin Complex" 116.67 132 100 100 1e-72 PDB 1BFG "Basic Fibroblast Growth Factor Mutant With Cys69 Replaced By Ser And Cys 87 Replaced By Ser(C69s,C87s)" 105.48 146 100 100 8e-82 PDB 1FGA "Basic Fibroblast Growth Factor (hbFGF)Determined With Ammomium Selenate" 105.48 146 99 99 10e-81 PDB 2FGF "Basic Fibroblast Growth Factor" 105.48 146 99 99 10e-81 PDB 4FGF "Basic Fibroblast Growth Factor (hbFGF)" 105.48 146 99 99 10e-81 PDB 1BFB "Basic Fibroblast Growth Factor Complexed WithHeparin Tetramer Fragment" 104.76 147 100 100 3e-82 PDB 1BFC "Basic Fibroblast Growth Factor Complexed WithHeparin Hexamer Fragment" 104.76 147 100 100 3e-82 PDB 1BAS "Basic Fibroblast Growth Factor (Bfgf) MutantWith Cys 70 Replaced By Ser And Cys 88 Replaced By Ser(C70s,C88s)" 100.00 154 99 99 6e-85 PDB 1BLA "Basic Fibroblast Growth Factor (Fgf-2) MutantWith Cys 78 Replaced By Ser And Cys 96 Replaced By Ser,Nmr" 99.35 155 100 100 3e-86 PDB 1BLD "Basic Fibroblast Growth Factor (Fgf-2) MutantWith Cys 78 Replaced By Ser And Cys 96 Replaced By Ser,Nmr" 99.35 155 100 100 3e-86 PDB 1II4 "A Chain A, Crystal Structure Of Ser252trpApert Mutant Fgf Receptor 2 (Fgfr2) In Complex With Fgf2" 99.35 155 99 99 6e-85 PDB 1IIL "A Chain A, Crystal Structure Of Pro253argApert Mutant Fgf Receptor 2 (Fgfr2) In Complex With Fgf2" 99.35 155 99 99 6e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Superkingdom _Kingdom _Genus _Species $FGF-2 Human eucaryote Animalia Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain $FGF-2 'recombinant technology' 'E. coli' Escherichia coli . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGF-2 1 mM '[U-15N]' DTT 10 mM . H2O 90 % . D2O 10 % . NaN3 2 mM . 'potassium phosphate' 50 mM . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGF-2 1 mM '[U-15N; U-13C]' DTT 10 mM . H2O 90 % . D2O 10 % . NaN3 2 mM . 'potassium phosphate' 50 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AM600 _Field_strength 600 save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_units pH 5.5 n/a temperature 25 C stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type TSP H 1 . 0.00 ppm . . TSP C 13 . 0.00 ppm external . 'liquid NH3' N 15 . 0.00 ppm external . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name FGF-2 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 ALA C C 173.4 . 1 2 1 ALA CA C 51.3 . 1 3 1 ALA HA H 4.05 . 1 4 1 ALA CB C 18.9 . 1 5 1 ALA HB H 1.46 . 1 6 2 GLU N N 118.4 . 1 7 2 GLU H H 8.73 . 1 8 2 GLU C C 176.4 . 1 9 2 GLU CA C 56.5 . 1 10 2 GLU HA H 4.24 . 1 11 2 GLU CB C 29.7 . 1 12 2 GLU HB2 H 2.03 . 2 13 2 GLU HB3 H 1.94 . 2 14 2 GLU CG C 35.7 . 1 15 2 GLU HG2 H 2.24 . 1 16 2 GLU HG3 H 2.24 . 1 17 3 GLY N N 108.5 . 1 18 3 GLY H H 8.57 . 1 19 3 GLY C C 173.5 . 1 20 3 GLY CA C 44.8 . 1 21 3 GLY HA2 H 3.87 . 1 22 3 GLY HA3 H 3.87 . 1 23 4 GLU N N 118.0 . 1 24 4 GLU H H 8.07 . 1 25 4 GLU C C 176.0 . 1 26 4 GLU CA C 55.8 . 1 27 4 GLU HA H 4.26 . 1 28 4 GLU CB C 30.1 . 1 29 4 GLU HB2 H 1.93 . 1 30 4 GLU HB3 H 1.93 . 1 31 4 GLU CG C 35.7 . 1 32 4 GLU HG2 H 2.16 . 1 33 4 GLU HG3 H 2.16 . 1 34 5 ILE N N 120.4 . 1 35 5 ILE H H 8.34 . 1 36 5 ILE CA C 60.7 . 1 37 5 ILE HA H 4.19 . 1 38 5 ILE CB C 38.3 . 1 39 5 ILE HB H 1.82 . 1 40 5 ILE HG12 H 1.47 . 2 41 5 ILE HG13 H 1.15 . 2 42 5 ILE HG2 H 0.83 . 1 43 5 ILE CG1 C 26.8 . 1 44 5 ILE CG2 C 17.2 . 1 45 5 ILE HD1 H 0.83 . 1 46 5 ILE CD1 C 12.4 . 1 47 6 THR N N 116.8 . 1 48 6 THR H H 8.30 . 1 49 6 THR C C 174.0 . 1 50 6 THR CA C 61.3 . 1 51 6 THR HA H 4.36 . 1 52 6 THR CB C 69.4 . 1 53 6 THR HB H 4.14 . 1 54 6 THR HG2 H 1.13 . 1 55 6 THR CG2 C 21.0 . 1 56 7 THR N N 115.1 . 1 57 7 THR H H 8.11 . 1 58 7 THR C C 173.6 . 1 59 7 THR CA C 61.3 . 1 60 7 THR HA H 4.27 . 1 61 7 THR CB C 69.4 . 1 62 7 THR HB H 4.09 . 1 63 7 THR HG2 H 1.12 . 1 64 7 THR CG2 C 21.2 . 1 65 8 LEU N N 124.2 . 1 66 8 LEU H H 8.26 . 1 67 8 LEU C C 174.6 . 1 68 8 LEU CA C 52.6 . 1 69 8 LEU HA H 4.55 . 1 70 8 LEU CB C 41.34 . 1 71 8 LEU HB2 H 1.53 . 1 72 8 LEU HB3 H 1.53 . 1 73 8 LEU CG C 26.6 . 1 74 8 LEU HG H 1.62 . 1 75 8 LEU HD1 H 0.87 . 1 76 8 LEU HD2 H 0.87 . 1 77 8 LEU CD1 C 24.8 . 2 78 8 LEU CD2 C 22.8 . 2 79 9 PRO C C 175.7 . 1 80 9 PRO CA C 62.4 . 1 81 9 PRO HA H 4.32 . 1 82 9 PRO CB C 31.7 . 1 83 9 PRO HB2 H 2.20 . 2 84 9 PRO HB3 H 1.83 . 2 85 9 PRO CG C 26.9 . 1 86 9 PRO HG2 H 1.94 . 1 87 9 PRO HG3 H 1.94 . 1 88 9 PRO CD C 50.1 . 1 89 9 PRO HD2 H 3.78 . 2 90 9 PRO HD3 H 3.58 . 2 91 10 ALA N N 122.0 . 1 92 10 ALA H H 8.25 . 1 93 10 ALA C C 176.9 . 1 94 10 ALA CA C 51.6 . 1 95 10 ALA HA H 4.24 . 1 96 10 ALA CB C 18.9 . 1 97 10 ALA HB H 1.28 . 1 98 11 LEU N N 120.7 . 1 99 11 LEU H H 8.25 . 1 100 11 LEU C C 175.0 . 1 101 11 LEU CA C 52.4 . 1 102 11 LEU HA H 4.55 . 1 103 11 LEU CB C 41.3 . 1 104 11 LEU HB2 H 1.53 . 1 105 11 LEU HB3 H 1.53 . 1 106 11 LEU CG C 26.6 . 1 107 11 LEU HG H 1.62 . 1 108 11 LEU HD1 H 0.87 . 1 109 11 LEU HD2 H 0.87 . 1 110 11 LEU CD1 C 24.8 . 2 111 11 LEU CD2 C 22.8 . 2 112 12 PRO C C 177.2 . 1 113 12 PRO CA C 62.7 . 1 114 12 PRO HA H 4.32 . 1 115 12 PRO CB C 31.6 . 1 116 12 PRO HB2 H 2.22 . 2 117 12 PRO HB3 H 1.85 . 2 118 12 PRO CG C 27.0 . 1 119 12 PRO HG2 H 1.98 . 1 120 12 PRO HG3 H 1.98 . 1 121 12 PRO CD C 50.1 . 1 122 12 PRO HD2 H 3.77 . 2 123 12 PRO HD3 H 3.58 . 2 124 13 GLU N N 118.7 . 1 125 13 GLU H H 8.60 . 1 126 13 GLU C C 176.0 . 1 127 13 GLU CA C 56.4 . 1 128 13 GLU HA H 4.17 . 1 129 13 GLU CB C 29.6 . 1 130 13 GLU HB2 H 1.99 . 2 131 13 GLU HB3 H 1.89 . 2 132 13 GLU CG C 35.8 . 1 133 13 GLU HG2 H 2.21 . 1 134 13 GLU HG3 H 2.21 . 1 135 14 ASP N N 118.7 . 1 136 14 ASP H H 8.25 . 1 137 14 ASP C C 176.5 . 1 138 14 ASP CA C 53.8 . 1 139 14 ASP HA H 4.54 . 1 140 14 ASP CB C 40.9 . 1 141 14 ASP HB2 H 2.64 . 1 142 14 ASP HB3 H 2.64 . 1 143 15 GLY N N 107.2 . 1 144 15 GLY H H 8.34 . 1 145 15 GLY C C 174.6 . 1 146 15 GLY CA C 45.3 . 1 147 15 GLY HA2 H 4.55 . 2 148 15 GLY HA3 H 3.88 . 2 149 16 GLY N N 106.5 . 1 150 16 GLY H H 8.35 . 1 151 16 GLY C C 174.1 . 1 152 16 GLY CA C 45.0 . 1 153 16 GLY HA2 H 3.95 . 2 154 16 GLY HA3 H 3.65 . 2 155 17 SER N N 113.2 . 1 156 17 SER H H 8.27 . 1 157 17 SER C C 174.7 . 1 158 17 SER CA C 58.4 . 1 159 17 SER HA H 4.38 . 1 160 17 SER CB C 63.4 . 1 161 17 SER HB2 H 3.86 . 1 162 17 SER HB3 H 3.86 . 1 163 18 GLY N N 108.5 . 1 164 18 GLY H H 8.42 . 1 165 18 GLY C C 173.1 . 1 166 18 GLY CA C 44.9 . 1 167 18 GLY HA2 H 3.85 . 1 168 18 GLY HA3 H 3.85 . 1 169 19 ALA N N 120.8 . 1 170 19 ALA H H 7.89 . 1 171 19 ALA C C 176.5 . 1 172 19 ALA CA C 51.8 . 1 173 19 ALA HA H 4.19 . 1 174 19 ALA CB C 18.9 . 1 175 19 ALA HB H 1.15 . 1 176 20 PHE N N 117.0 . 1 177 20 PHE H H 8.09 . 1 178 20 PHE C C 172.9 . 1 179 20 PHE CA C 55.1 . 1 180 20 PHE HA H 4.71 . 1 181 20 PHE CB C 39.0 . 1 182 20 PHE HB2 H 2.81 . 2 183 20 PHE HB3 H 2.71 . 2 184 20 PHE HD1 H 7.09 . 3 185 20 PHE HD2 H 7.09 . 3 186 20 PHE CD1 C 131.7 . 1 187 20 PHE CD2 C 131.7 . 1 188 20 PHE CE1 C 129.0 . 1 189 20 PHE CE2 C 129.0 . 1 190 20 PHE HE1 H 7.20 . 3 191 20 PHE HE2 H 7.20 . 3 192 20 PHE HZ H 7.39 . 1 193 21 PRO C C 174.3 . 1 194 21 PRO CA C 61.2 . 1 195 21 PRO HA H 4.74 . 1 196 21 PRO CB C 30.4 . 1 197 21 PRO HB2 H 2.36 . 2 198 21 PRO HB3 H 1.92 . 2 199 21 PRO CG C 27.0 . 1 200 21 PRO HG2 H 1.99 . 1 201 21 PRO HG3 H 1.99 . 1 202 21 PRO CD C 50.2 . 1 203 21 PRO HD2 H 3.81 . 2 204 21 PRO HD3 H 3.5 . 2 205 22 PRO C C 177.9 . 1 206 22 PRO CA C 63.6 . 1 207 22 PRO HA H 4.44 . 1 208 22 PRO CB C 31.6 . 1 209 22 PRO HB2 H 2.33 . 2 210 22 PRO HB3 H 1.88 . 2 211 22 PRO CG C 27.3 . 1 212 22 PRO HG2 H 2.05 . 1 213 22 PRO HG3 H 2.05 . 1 214 22 PRO CD C 50.1 . 1 215 22 PRO HD2 H 3.83 . 2 216 22 PRO HD3 H 3.64 . 2 217 23 GLY N N 106.4 . 1 218 23 GLY H H 8.70 . 1 219 23 GLY C C 174.4 . 1 220 23 GLY CA C 45.3 . 1 221 23 GLY HA2 H 3.95 . 2 222 23 GLY HA3 H 3.81 . 2 223 24 HIS N N 117.2 . 1 224 24 HIS H H 8.09 . 1 225 24 HIS C C 174.0 . 1 226 24 HIS CA C 57.0 . 1 227 24 HIS HA H 4.25 . 1 228 24 HIS CB C 29.3 . 1 229 24 HIS HB2 H 3.08 . 2 230 24 HIS HB3 H 2.85 . 2 231 24 HIS HD2 H 6.08 . 1 232 24 HIS CD2 C 119.4 . 1 233 24 HIS CE1 C 136.2 . 1 234 24 HIS HE1 H 7.95 . 1 235 25 PHE N N 114.7 . 1 236 25 PHE H H 8.07 . 1 237 25 PHE C C 175.5 . 1 238 25 PHE CA C 57.2 . 1 239 25 PHE HA H 4.54 . 1 240 25 PHE CB C 39.1 . 1 241 25 PHE HB2 H 3.31 . 2 242 25 PHE HB3 H 2.88 . 2 243 25 PHE HD1 H 7.20 . 1 244 25 PHE HD2 H 7.20 . 1 245 25 PHE CD1 C 131.7 . 1 246 25 PHE CD2 C 131.7 . 1 247 25 PHE HE1 H 7.28 . 2 248 25 PHE HE2 H 7.28 . 2 249 26 LYS N N 118.1 . 1 250 26 LYS H H 7.96 . 1 251 26 LYS C C 175.7 . 1 252 26 LYS CA C 57.0 . 1 253 26 LYS HA H 4.14 . 1 254 26 LYS CB C 32.8 . 1 255 26 LYS HB2 H 1.74 . 1 256 26 LYS HB3 H 1.74 . 1 257 26 LYS CG C 24.4 . 1 258 26 LYS HG2 H 1.36 . 1 259 26 LYS HG3 H 1.36 . 1 260 26 LYS CD C 28.7 . 1 261 26 LYS HD2 H 1.68 . 1 262 26 LYS HD3 H 1.68 . 1 263 26 LYS CE C 41.7 . 1 264 26 LYS HE2 H 2.96 . 1 265 26 LYS HE3 H 2.96 . 1 266 27 ASP N N 117.2 . 1 267 27 ASP H H 7.94 . 1 268 27 ASP C C 173.5 . 1 269 27 ASP CA C 52.1 . 1 270 27 ASP HA H 4.95 . 1 271 27 ASP CB C 40.5 . 1 272 27 ASP HB2 H 2.70 . 2 273 27 ASP HB3 H 2.49 . 2 274 28 PRO C C 175.0 . 1 275 28 PRO CA C 62.5 . 1 276 28 PRO HA H 4.72 . 1 277 28 PRO CB C 32.1 . 1 278 28 PRO HB2 H 2.06 . 2 279 28 PRO HB3 H 1.65 . 2 280 28 PRO CG C 26.8 . 1 281 28 PRO HG2 H 1.98 . 2 282 28 PRO HG3 H 1.90 . 2 283 28 PRO CD C 50.1 . 1 284 28 PRO HD2 H 3.88 . 2 285 28 PRO HD3 H 3.65 . 2 286 29 LYS N N 117.0 . 1 287 29 LYS H H 9.32 . 1 288 29 LYS C C 175.0 . 1 289 29 LYS CA C 53.3 . 1 290 29 LYS HA H 5.13 . 1 291 29 LYS CB C 37.4 . 1 292 29 LYS HB2 H 1.73 . 2 293 29 LYS HB3 H 1.35 . 2 294 29 LYS CG C 24.4 . 1 295 29 LYS HG2 H 1.48 . 1 296 29 LYS HG3 H 1.48 . 1 297 29 LYS CD C 28.6 . 1 298 29 LYS HD2 H 1.61 . 1 299 29 LYS HD3 H 1.61 . 1 300 29 LYS CE C 42.3 . 1 301 29 LYS HE2 H 2.89 . 1 302 29 LYS HE3 H 2.89 . 1 303 30 ARG N N 115.0 . 1 304 30 ARG H H 8.80 . 1 305 30 ARG C C 174.7 . 1 306 30 ARG CA C 54.0 . 1 307 30 ARG HA H 4.86 . 1 308 30 ARG CB C 33.3 . 1 309 30 ARG HB2 H 1.85 . 2 310 30 ARG HB3 H 1.46 . 2 311 30 ARG CG C 27.6 . 1 312 30 ARG HG2 H 1.37 . 1 313 30 ARG HG3 H 1.37 . 1 314 30 ARG CD C 43.2 . 1 315 30 ARG HD2 H 2.46 . 1 316 30 ARG HD3 H 2.46 . 1 317 31 LEU N N 122.9 . 1 318 31 LEU H H 10.35 . 1 319 31 LEU C C 173.9 . 1 320 31 LEU CA C 53.8 . 1 321 31 LEU HA H 4.89 . 1 322 31 LEU CB C 43.0 . 1 323 31 LEU HB2 H 1.58 . 2 324 31 LEU HB3 H 1.33 . 2 325 31 LEU HD1 H 0.21 . 2 326 31 LEU HD2 H 0.57 . 2 327 31 LEU CD1 C 23.9 . 2 328 31 LEU CD2 C 22.7 . 2 329 32 TYR N N 124.6 . 1 330 32 TYR H H 8.60 . 1 331 32 TYR C C 173.2 . 1 332 32 TYR CA C 56.6 . 1 333 32 TYR HA H 4.28 . 1 334 32 TYR CB C 39.9 . 1 335 32 TYR HB2 H 3.28 . 2 336 32 TYR HB3 H 2.86 . 2 337 32 TYR HD1 H 6.30 . 1 338 32 TYR HD2 H 6.30 . 1 339 32 TYR CD1 C 133.0 . 1 340 32 TYR CD2 C 133.0 . 1 341 32 TYR CE1 C 117.3 . 1 342 32 TYR CE2 C 117.3 . 1 343 32 TYR HE1 H 6.47 . 1 344 32 TYR HE2 H 6.47 . 1 345 33 CYS N N 128.0 . 1 346 33 CYS H H 9.32 . 1 347 33 CYS C C 174.2 . 1 348 33 CYS CA C 57.4 . 1 349 33 CYS HA H 4.35 . 1 350 33 CYS CB C 29.2 . 1 351 33 CYS HB2 H 2.65 . 2 352 33 CYS HB3 H 2.30 . 2 353 34 LYS N N 126.4 . 1 354 34 LYS H H 8.35 . 1 355 34 LYS C C 176.2 . 1 356 34 LYS CA C 57.5 . 1 357 34 LYS HA H 3.70 . 1 358 34 LYS CB C 33.7 . 1 359 34 LYS HB2 H 1.67 . 2 360 34 LYS HB3 H 1.40 . 2 361 34 LYS CG C 25.3 . 1 362 34 LYS HG2 H 1.31 . 2 363 34 LYS HG3 H 1.21 . 2 364 34 LYS CD C 29.0 . 1 365 34 LYS HD2 H 1.19 . 2 366 34 LYS HD3 H 0.90 . 2 367 34 LYS CE C 41.4 . 1 368 34 LYS HE2 H 2.60 . 1 369 34 LYS HE3 H 2.60 . 1 370 35 ASN N N 116.1 . 1 371 35 ASN H H 7.69 . 1 372 35 ASN C C 172.1 . 1 373 35 ASN CA C 50.8 . 1 374 35 ASN HA H 4.49 . 1 375 35 ASN CB C 36.9 . 1 376 35 ASN HB2 H 3.19 . 2 377 35 ASN HB3 H 1.91 . 2 378 36 GLY N N 106.1 . 1 379 36 GLY H H 7.65 . 1 380 36 GLY C C 174.3 . 1 381 36 GLY CA C 44.4 . 1 382 36 GLY HA2 H 4.21 . 2 383 36 GLY HA3 H 3.45 . 2 384 37 GLY N N 106.0 . 1 385 37 GLY H H 7.02 . 1 386 37 GLY C C 172.4 . 1 387 37 GLY CA C 46.2 . 1 388 37 GLY HA2 H 3.31 . 2 389 37 GLY HA3 H 2.78 . 2 390 38 PHE N N 110.7 . 1 391 38 PHE H H 5.82 . 1 392 38 PHE C C 174.2 . 1 393 38 PHE CA C 56.6 . 1 394 38 PHE HA H 3.89 . 1 395 38 PHE CB C 42.1 . 1 396 38 PHE HB2 H 2.54 . 2 397 38 PHE HB3 H 2.27 . 2 398 38 PHE HD1 H 6.77 . 1 399 38 PHE HD2 H 6.77 . 1 400 38 PHE CD1 C 130.4 . 1 401 38 PHE CD2 C 130.4 . 1 402 38 PHE CE1 C 131.6 . 1 403 38 PHE CE2 C 131.6 . 1 404 38 PHE HE1 H 7.23 . 1 405 38 PHE HE2 H 7.23 . 1 406 38 PHE HZ H 7.00 . 1 407 38 PHE CZ C 129.7 . 1 408 39 PHE N N 118.3 . 1 409 39 PHE H H 9.33 . 1 410 39 PHE C C 176.2 . 1 411 39 PHE CA C 56.6 . 1 412 39 PHE HA H 5.52 . 1 413 39 PHE CB C 40.0 . 1 414 39 PHE HB2 H 3.29 . 2 415 39 PHE HB3 H 2.92 . 2 416 39 PHE HD1 H 7.19 . 1 417 39 PHE HD2 H 7.19 . 1 418 39 PHE CD1 C 131.7 . 1 419 39 PHE CD2 C 131.7 . 1 420 39 PHE CE1 C 131.2 . 1 421 39 PHE CE2 C 131.2 . 1 422 39 PHE HE1 H 7.40 . 1 423 39 PHE HE2 H 7.40 . 1 424 39 PHE HZ H 7.40 . 1 425 40 LEU N N 121.2 . 1 426 40 LEU H H 8.34 . 1 427 40 LEU C C 173.6 . 1 428 40 LEU CA C 56.3 . 1 429 40 LEU HA H 4.32 . 1 430 40 LEU CB C 43.1 . 1 431 40 LEU HB2 H 1.83 . 2 432 40 LEU HB3 H 1.27 . 2 433 40 LEU CG C 26.9 . 1 434 40 LEU HG H 1.38 . 1 435 40 LEU HD1 H 0.62 . 2 436 40 LEU HD2 H 0.35 . 2 437 40 LEU CD1 C 23.4 . 2 438 40 LEU CD2 C 25.2 . 2 439 41 ARG N N 126.4 . 1 440 41 ARG H H 9.60 . 1 441 41 ARG C C 173.0 . 1 442 41 ARG CA C 55.3 . 1 443 41 ARG HA H 4.49 . 1 444 41 ARG CB C 33.1 . 1 445 41 ARG HB2 H 2.52 . 2 446 41 ARG HB3 H 1.06 . 2 447 41 ARG CG C 25.5 . 1 448 41 ARG CD C 44.8 . 1 449 41 ARG HD2 H 3.00 . 2 450 41 ARG HD3 H 2.69 . 2 451 42 ILE N N 120.9 . 1 452 42 ILE H H 7.43 . 1 453 42 ILE C C 174.1 . 1 454 42 ILE CA C 59.8 . 1 455 42 ILE HA H 4.31 . 1 456 42 ILE CB C 39.4 . 1 457 42 ILE HB H 1.40 . 1 458 42 ILE HG2 H 0.46 . 1 459 42 ILE CG1 C 26.9 . 1 460 42 ILE HG12 H 0.78 . 1 461 42 ILE HG13 H 0.78 . 1 462 42 ILE CG2 C 16.8 . 1 463 42 ILE HD1 H 0.58 . 1 464 42 ILE CD1 C 13.5 . 1 465 43 HIS N N 122.7 . 1 466 43 HIS H H 8.75 . 1 467 43 HIS C C 175.5 . 1 468 43 HIS CA C 54.8 . 1 469 43 HIS HA H 4.13 . 1 470 43 HIS CB C 31.5 . 1 471 43 HIS HB2 H 3.10 . 2 472 43 HIS HB3 H 2.91 . 2 473 43 HIS HD2 H 6.50 . 1 474 43 HIS CD2 C 117.7 . 1 475 43 HIS CE1 C 136.0 . 1 476 43 HIS HE1 H 7.68 . 1 477 44 PRO C C 175.4 . 1 478 44 PRO CA C 64.5 . 1 479 44 PRO HA H 4.12 . 1 480 44 PRO CB C 31.5 . 1 481 44 PRO HB2 H 2.37 . 2 482 44 PRO HB3 H 2.00 . 2 483 44 PRO CG C 27.6 . 1 484 44 PRO HG2 H 2.02 . 2 485 44 PRO HG3 H 1.74 . 2 486 44 PRO CD C 49.6 . 1 487 44 PRO HD2 H 3.29 . 2 488 44 PRO HD3 H 2.72 . 2 489 45 ASP N N 112.1 . 1 490 45 ASP H H 7.89 . 1 491 45 ASP C C 177.1 . 1 492 45 ASP CA C 52.8 . 1 493 45 ASP HA H 4.48 . 1 494 45 ASP CB C 39.9 . 1 495 45 ASP HB2 H 2.98 . 2 496 45 ASP HB3 H 2.51 . 2 497 46 GLY N N 105.2 . 1 498 46 GLY H H 7.93 . 1 499 46 GLY C C 173.2 . 1 500 46 GLY CA C 45.1 . 1 501 46 GLY HA2 H 4.55 . 2 502 46 GLY HA3 H 3.61 . 2 503 47 ARG N N 117.5 . 1 504 47 ARG H H 7.70 . 1 505 47 ARG C C 174.7 . 1 506 47 ARG CA C 57.0 . 1 507 47 ARG HA H 4.37 . 1 508 47 ARG CB C 31.1 . 1 509 47 ARG HB2 H 1.58 . 2 510 47 ARG HB3 H 1.40 . 2 511 47 ARG CG C 28.0 . 1 512 47 ARG HG2 H 1.50 . 1 513 47 ARG HG3 H 1.50 . 1 514 47 ARG CD C 42.9 . 1 515 47 ARG HD2 H 3.08 . 2 516 47 ARG HD3 H 2.90 . 2 517 48 VAL N N 118.9 . 1 518 48 VAL H H 8.24 . 1 519 48 VAL C C 174.2 . 1 520 48 VAL CA C 60.5 . 1 521 48 VAL HA H 4.99 . 1 522 48 VAL CB C 34.5 . 1 523 48 VAL HB H 1.57 . 1 524 48 VAL HG1 H 0.82 . 2 525 48 VAL HG2 H 0.73 . 2 526 48 VAL CG1 C 20.9 . 1 527 48 VAL CG2 C 20.9 . 1 528 49 ASP N N 126.5 . 1 529 49 ASP H H 9.06 . 1 530 49 ASP C C 171.8 . 1 531 49 ASP CA C 53.1 . 1 532 49 ASP HA H 4.29 . 1 533 49 ASP CB C 40.3 . 1 534 49 ASP HB2 H 3.13 . 2 535 49 ASP HB3 H 3.00 . 2 536 50 GLY N N 101.5 . 1 537 50 GLY H H 8.09 . 1 538 50 GLY C C 171.7 . 1 539 50 GLY CA C 44.1 . 1 540 50 GLY HA2 H 5.57 . 2 541 50 GLY HA3 H 3.01 . 2 542 51 VAL N N 113.5 . 1 543 51 VAL H H 8.85 . 1 544 51 VAL C C 174.3 . 1 545 51 VAL CA C 59.8 . 1 546 51 VAL HA H 4.96 . 1 547 51 VAL CB C 36.0 . 1 548 51 VAL HB H 2.08 . 1 549 51 VAL HG1 H 1.24 . 2 550 51 VAL HG2 H 1.00 . 2 551 51 VAL CG1 C 21.5 . 2 552 51 VAL CG2 C 21.1 . 2 553 52 ARG N N 122.9 . 1 554 52 ARG H H 9.28 . 1 555 52 ARG C C 175.8 . 1 556 52 ARG CA C 57.6 . 1 557 52 ARG HA H 4.48 . 1 558 52 ARG CB C 29.9 . 1 559 52 ARG HB2 H 1.85 . 2 560 52 ARG HB3 H 1.62 . 2 561 52 ARG CG C 28.3 . 1 562 52 ARG HG2 H 1.26 . 2 563 52 ARG HG3 H 0.94 . 2 564 52 ARG CD C 42.7 . 1 565 52 ARG HD2 H 2.86 . 2 566 52 ARG HD3 H 2.79 . 2 567 53 GLU N N 117.1 . 1 568 53 GLU H H 7.05 . 1 569 53 GLU C C 174.9 . 1 570 53 GLU CA C 56.3 . 1 571 53 GLU HA H 4.31 . 1 572 53 GLU CB C 29.6 . 1 573 53 GLU HB2 H 2.11 . 2 574 53 GLU HB3 H 2.04 . 2 575 53 GLU CG C 36.1 . 1 576 53 GLU HG2 H 2.43 . 1 577 53 GLU HG3 H 2.43 . 1 578 54 LYS N N 122.6 . 1 579 54 LYS H H 8.43 . 1 580 54 LYS C C 175.6 . 1 581 54 LYS CA C 57.6 . 1 582 54 LYS HA H 3.49 . 1 583 54 LYS CB C 32.1 . 1 584 54 LYS HB2 H 1.62 . 2 585 54 LYS HB3 H 1.71 . 2 586 54 LYS CG C 24.3 . 1 587 54 LYS HG2 H 1.20 . 1 588 54 LYS HG3 H 1.20 . 1 589 54 LYS CD C 29.3 . 1 590 54 LYS HD2 H 1.36 . 1 591 54 LYS HD3 H 1.36 . 1 592 54 LYS CE C 41.5 . 1 593 54 LYS HE2 H 2.92 . 1 594 54 LYS HE3 H 2.92 . 1 595 55 SER N N 109.9 . 1 596 55 SER H H 8.11 . 1 597 55 SER C C 173.7 . 1 598 55 SER CA C 57.5 . 1 599 55 SER HA H 4.23 . 1 600 55 SER CB C 63.1 . 1 601 55 SER HB2 H 3.96 . 2 602 55 SER HB3 H 3.71 . 2 603 56 ASP N N 123.4 . 1 604 56 ASP H H 7.01 . 1 605 56 ASP C C 177.1 . 1 606 56 ASP CA C 52.6 . 1 607 56 ASP HA H 4.49 . 1 608 56 ASP CB C 42.9 . 1 609 56 ASP HB2 H 2.65 . 2 610 56 ASP HB3 H 2.54 . 2 611 57 PRO C C 178.7 . 1 612 57 PRO CA C 64.0 . 1 613 57 PRO HA H 4.19 . 1 614 57 PRO CB C 31.7 . 1 615 57 PRO HB2 H 2.13 . 2 616 57 PRO HB3 H 1.32 . 2 617 57 PRO HG2 H 1.82 . 2 618 57 PRO HG3 H 1.28 . 2 619 57 PRO CD C 50.1 . 1 620 57 PRO CG C 26.2 . 1 621 57 PRO HD2 H 3.75 . 2 622 57 PRO HD3 H 3.55 . 2 623 58 HIS N N 116.0 . 1 624 58 HIS H H 9.45 . 1 625 58 HIS C C 173.3 . 1 626 58 HIS CA C 58.4 . 1 627 58 HIS HA H 4.65 . 1 628 58 HIS CB C 28.1 . 1 629 58 HIS HB2 H 3.61 . 2 630 58 HIS HB3 H 2.59 . 2 631 58 HIS HD2 H 6.85 . 1 632 58 HIS CD2 C 119.0 . 1 633 58 HIS CE1 C 137.1 . 1 634 58 HIS HE1 H 7.79 . 1 635 59 ILE N N 105.4 . 1 636 59 ILE H H 6.75 . 1 637 59 ILE C C 174.7 . 1 638 59 ILE CA C 59.7 . 1 639 59 ILE HA H 5.09 . 1 640 59 ILE CB C 37.2 . 1 641 59 ILE HB H 2.36 . 1 642 59 ILE HG2 H 0.68 . 1 643 59 ILE CG1 C 23.8 . 1 644 59 ILE HG12 H 1.70 . 2 645 59 ILE HG13 H 0.76 . 2 646 59 ILE CG2 C 16.6 . 1 647 59 ILE HD1 H 0.32 . 1 648 59 ILE CD1 C 14.9 . 1 649 60 LYS N N 117.9 . 1 650 60 LYS H H 6.55 . 1 651 60 LYS C C 174.7 . 1 652 60 LYS CA C 56.8 . 1 653 60 LYS HA H 4.18 . 1 654 60 LYS CB C 32.0 . 1 655 60 LYS HB2 H 1.76 . 2 656 60 LYS HB3 H 1.56 . 2 657 60 LYS CG C 25.6 . 1 658 60 LYS HG2 H 1.05 . 1 659 60 LYS HG3 H 1.05 . 1 660 60 LYS CD C 29.2 . 1 661 60 LYS HD2 H 1.26 . 1 662 60 LYS HD3 H 1.26 . 1 663 60 LYS CE C 41.7 . 1 664 60 LYS HE2 H 2.83 . 1 665 60 LYS HE3 H 2.83 . 1 666 61 LEU N N 127.5 . 1 667 61 LEU H H 9.68 . 1 668 61 LEU C C 174.9 . 1 669 61 LEU CA C 53.0 . 1 670 61 LEU HA H 5.38 . 1 671 61 LEU CB C 44.1 . 1 672 61 LEU HB2 H 1.45 . 2 673 61 LEU HB3 H 1.02 . 2 674 61 LEU CG C 25.8 . 1 675 61 LEU HG H 2.02 . 1 676 61 LEU HD1 H 0.67 . 2 677 61 LEU HD2 H 0.55 . 2 678 61 LEU CD1 C 26.5 . 2 679 61 LEU CD2 C 21.8 . 2 680 62 GLN N N 117.9 . 1 681 62 GLN H H 9.37 . 1 682 62 GLN C C 174.5 . 1 683 62 GLN CA C 53.8 . 1 684 62 GLN HA H 4.57 . 1 685 62 GLN CB C 31.2 . 1 686 62 GLN HB2 H 1.82 . 2 687 62 GLN HB3 H 1.67 . 2 688 62 GLN CG C 33.4 . 1 689 62 GLN HG2 H 2.06 . 1 690 62 GLN HG3 H 2.06 . 1 691 62 GLN HE21 H 7.46 . 2 692 62 GLN HE22 H 6.52 . 2 693 62 GLN NE2 N 110.1 . 1 694 63 LEU N N 129.7 . 1 695 63 LEU H H 9.12 . 1 696 63 LEU C C 175.7 . 1 697 63 LEU CA C 54.5 . 1 698 63 LEU HA H 5.23 . 1 699 63 LEU CB C 41.9 . 1 700 63 LEU HB2 H 1.63 . 2 701 63 LEU HB3 H 1.44 . 2 702 63 LEU CG C 29.6 . 1 703 63 LEU HG H 1.57 . 1 704 63 LEU HD1 H 0.77 . 2 705 63 LEU HD2 H 0.65 . 2 706 63 LEU CD1 C 26.0 . 2 707 63 LEU CD2 C 24.4 . 2 708 64 GLN N N 119.2 . 1 709 64 GLN H H 8.31 . 1 710 64 GLN C C 174.1 . 1 711 64 GLN CA C 54.3 . 1 712 64 GLN HA H 4.53 . 1 713 64 GLN CB C 31.3 . 1 714 64 GLN HB2 H 1.98 . 1 715 64 GLN HB3 H 1.98 . 1 716 64 GLN CG C 33.9 . 1 717 64 GLN HG2 H 2.18 . 1 718 64 GLN HG3 H 2.18 . 1 719 64 GLN HE21 H 7.73 . 2 720 64 GLN HE22 H 6.71 . 2 721 64 GLN NE2 N 110.0 . 1 722 65 ALA N N 126.2 . 1 723 65 ALA H H 8.45 . 1 724 65 ALA C C 177.1 . 1 725 65 ALA CA C 51.8 . 1 726 65 ALA HA H 4.70 . 1 727 65 ALA CB C 18.6 . 1 728 65 ALA HB H 1.09 . 1 729 66 GLU N N 124.5 . 1 730 66 GLU H H 8.40 . 1 731 66 GLU C C 175.7 . 1 732 66 GLU CA C 56.0 . 1 733 66 GLU HA H 4.42 . 1 734 66 GLU CB C 29.4 . 1 735 66 GLU HB2 H 1.82 . 2 736 66 GLU HB3 H 1.59 . 2 737 66 GLU CG C 34.0 . 1 738 66 GLU HG2 H 2.05 . 1 739 66 GLU HG3 H 2.05 . 1 740 67 GLU N N 117.3 . 1 741 67 GLU H H 8.53 . 1 742 67 GLU C C 174.6 . 1 743 67 GLU CA C 55.0 . 1 744 67 GLU HA H 4.25 . 1 745 67 GLU CB C 30.9 . 1 746 67 GLU HB2 H 2.07 . 2 747 67 GLU HB3 H 1.73 . 2 748 67 GLU CG C 36.0 . 1 749 67 GLU HG2 H 2.06 . 1 750 67 GLU HG3 H 2.06 . 1 751 68 ARG N N 118.1 . 1 752 68 ARG H H 8.59 . 1 753 68 ARG C C 177.6 . 1 754 68 ARG CA C 58.3 . 1 755 68 ARG HA H 4.08 . 1 756 68 ARG CB C 28.9 . 1 757 68 ARG HB2 H 1.80 . 1 758 68 ARG HB3 H 1.80 . 1 759 68 ARG CG C 26.5 . 1 760 68 ARG HG2 H 1.64 . 1 761 68 ARG HG3 H 1.64 . 1 762 68 ARG CD C 43.0 . 1 763 68 ARG HD2 H 3.19 . 1 764 68 ARG HD3 H 3.19 . 1 765 69 GLY N N 112.1 . 1 766 69 GLY H H 8.74 . 1 767 69 GLY C C 173.1 . 1 768 69 GLY CA C 45.8 . 1 769 69 GLY HA2 H 4.36 . 2 770 69 GLY HA3 H 4.10 . 2 771 70 VAL N N 119.6 . 1 772 70 VAL H H 8.32 . 1 773 70 VAL C C 175.5 . 1 774 70 VAL CA C 60.6 . 1 775 70 VAL HA H 5.09 . 1 776 70 VAL CB C 33.6 . 1 777 70 VAL HB H 1.77 . 1 778 70 VAL HG1 H 0.67 . 2 779 70 VAL HG2 H 0.68 . 2 780 70 VAL CG1 C 22.3 . 2 781 70 VAL CG2 C 21.5 . 2 782 71 VAL N N 117.5 . 1 783 71 VAL H H 9.71 . 1 784 71 VAL C C 175.3 . 1 785 71 VAL CA C 58.2 . 1 786 71 VAL HA H 5.83 . 1 787 71 VAL CB C 35.6 . 1 788 71 VAL HB H 2.36 . 1 789 71 VAL HG1 H 1.00 . 1 790 71 VAL HG2 H 1.00 . 1 791 71 VAL CG1 C 21.7 . 2 792 71 VAL CG2 C 18.7 . 2 793 72 SER N N 112.3 . 1 794 72 SER H H 8.73 . 1 795 72 SER C C 173.3 . 1 796 72 SER CA C 56.6 . 1 797 72 SER HA H 5.14 . 1 798 72 SER CB C 66.1 . 1 799 72 SER HB2 H 3.96 . 2 800 72 SER HB3 H 3.55 . 2 801 73 ILE N N 120.4 . 1 802 73 ILE H H 10.47 . 1 803 73 ILE C C 172.2 . 1 804 73 ILE CA C 61.4 . 1 805 73 ILE HA H 4.30 . 1 806 73 ILE CB C 40.2 . 1 807 73 ILE HB H 1.50 . 1 808 73 ILE CG1 C 26.9 . 1 809 73 ILE HG12 H 1.28 . 2 810 73 ILE HG13 H 0.48 . 2 811 73 ILE HG2 H 0.37 . 1 812 73 ILE CG2 C 18.0 . 1 813 73 ILE HD1 H -.19 . 1 814 73 ILE CD1 C 11.7 . 1 815 74 LYS N N 125.2 . 1 816 74 LYS H H 8.76 . 1 817 74 LYS C C 177.0 . 1 818 74 LYS CA C 53.4 . 1 819 74 LYS HA H 4.58 . 1 820 74 LYS CB C 35.8 . 1 821 74 LYS HB2 H 1.59 . 2 822 74 LYS HB3 H 1.48 . 2 823 74 LYS CG C 24.6 . 1 824 74 LYS HG2 H 0.57 . 2 825 74 LYS HG3 H -.11 . 2 826 74 LYS CD C 29.1 . 1 827 74 LYS HD2 H 1.25 . 1 828 74 LYS HD3 H 1.25 . 1 829 74 LYS CE C 42.0 . 1 830 74 LYS HE2 H 2.58 . 2 831 74 LYS HE3 H 2.38 . 2 832 75 GLY N N 111.7 . 1 833 75 GLY H H 9.17 . 1 834 75 GLY C C 173.9 . 1 835 75 GLY CA C 46.5 . 1 836 75 GLY HA2 H 4.20 . 2 837 75 GLY HA3 H 3.34 . 2 838 76 VAL N N 125.8 . 1 839 76 VAL H H 7.89 . 1 840 76 VAL C C 177.7 . 1 841 76 VAL CA C 66.8 . 1 842 76 VAL HA H 3.29 . 1 843 76 VAL CB C 31.4 . 1 844 76 VAL HB H 1.78 . 1 845 76 VAL HG1 H 0.53 . 2 846 76 VAL HG2 H 0.82 . 2 847 76 VAL CG1 C 22.1 . 2 848 76 VAL CG2 C 20.5 . 2 849 77 SER N N 113.4 . 1 850 77 SER H H 9.32 . 1 851 77 SER C C 176.3 . 1 852 77 SER CA C 60.9 . 1 853 77 SER HA H 4.18 . 1 854 77 SER CB C 61.8 . 1 855 77 SER HB2 H 3.71 . 1 856 77 SER HB3 H 3.71 . 1 857 78 ALA N N 117.6 . 1 858 78 ALA H H 8.59 . 1 859 78 ALA C C 176.3 . 1 860 78 ALA CA C 52.8 . 1 861 78 ALA HA H 3.85 . 1 862 78 ALA CB C 19.0 . 1 863 78 ALA HB H 0.97 . 1 864 79 ASN N N 113.1 . 1 865 79 ASN H H 8.11 . 1 866 79 ASN C C 173.8 . 1 867 79 ASN CA C 52.9 . 1 868 79 ASN HA H 3.98 . 1 869 79 ASN CB C 36.9 . 1 870 79 ASN HB2 H 3.27 . 2 871 79 ASN HB3 H 2.37 . 2 872 79 ASN HD21 H 7.43 . 2 873 79 ASN HD22 H 6.69 . 2 874 79 ASN ND2 N 108.2 . 1 875 80 ARG N N 109.9 . 1 876 80 ARG H H 6.63 . 1 877 80 ARG C C 172.9 . 1 878 80 ARG CA C 53.3 . 1 879 80 ARG HA H 4.66 . 1 880 80 ARG CB C 37.6 . 1 881 80 ARG HB2 H 1.26 . 2 882 80 ARG HB3 H 0.78 . 2 883 80 ARG CG C 28.3 . 1 884 80 ARG HG2 H 1.65 . 2 885 80 ARG HG3 H 1.15 . 2 886 80 ARG CD C 43.0 . 1 887 80 ARG HD2 H 2.80 . 1 888 80 ARG HD3 H 2.80 . 1 889 81 TYR N N 118.2 . 1 890 81 TYR H H 9.49 . 1 891 81 TYR C C 175.3 . 1 892 81 TYR CA C 56.9 . 1 893 81 TYR HA H 4.87 . 1 894 81 TYR CB C 40.2 . 1 895 81 TYR HB2 H 3.05 . 2 896 81 TYR HB3 H 2.65 . 2 897 81 TYR HD1 H 6.83 . 1 898 81 TYR HD2 H 6.83 . 1 899 81 TYR CD1 C 132.8 . 1 900 81 TYR CD2 C 132.8 . 1 901 81 TYR CE1 C 117.7 . 1 902 81 TYR CE2 C 117.7 . 1 903 81 TYR HE1 H 6.69 . 1 904 81 TYR HE2 H 6.69 . 1 905 82 LEU N N 122.0 . 1 906 82 LEU H H 9.08 . 1 907 82 LEU C C 173.8 . 1 908 82 LEU CA C 55.9 . 1 909 82 LEU HA H 4.04 . 1 910 82 LEU CB C 42.8 . 1 911 82 LEU HB2 H 1.90 . 2 912 82 LEU HB3 H 1.05 . 2 913 82 LEU HD1 H 0.31 . 2 914 82 LEU HD2 H 0.78 . 2 915 82 LEU CD1 C 26.7 . 2 916 82 LEU CD2 C 25.5 . 2 917 83 ALA N N 125.1 . 1 918 83 ALA H H 9.01 . 1 919 83 ALA C C 174.7 . 1 920 83 ALA CA C 50.1 . 1 921 83 ALA HA H 5.11 . 1 922 83 ALA CB C 22.3 . 1 923 83 ALA HB H 1.20 . 1 924 84 MET N N 116.9 . 1 925 84 MET H H 7.63 . 1 926 84 MET C C 174.6 . 1 927 84 MET CA C 53.3 . 1 928 84 MET HA H 5.36 . 1 929 84 MET CB C 35.4 . 1 930 84 MET HB2 H 2.43 . 2 931 84 MET HB3 H 2.07 . 2 932 84 MET CG C 30.5 . 1 933 84 MET HG2 H 3.02 . 2 934 84 MET HG3 H 2.61 . 2 935 84 MET CE C 15.7 . 1 936 84 MET HE H 2.13 . 1 937 85 LYS N N 119.6 . 1 938 85 LYS H H 8.40 . 1 939 85 LYS C C 175.8 . 1 940 85 LYS CA C 52.8 . 1 941 85 LYS HA H 4.79 . 1 942 85 LYS CB C 31.5 . 1 943 85 LYS HB2 H 2.09 . 2 944 85 LYS HB3 H 1.93 . 2 945 85 LYS CG C 23.3 . 1 946 85 LYS HG2 H 1.27 . 2 947 85 LYS HG3 H 1.47 . 2 948 85 LYS CD C 24.9 . 1 949 85 LYS HD2 H 1.56 . 1 950 85 LYS HD3 H 1.56 . 1 951 85 LYS CE C 40.3 . 1 952 85 LYS HE2 H 3.31 . 2 953 85 LYS HE3 H 2.77 . 2 954 86 GLU N N 115.7 . 1 955 86 GLU H H 8.66 . 1 956 86 GLU C C 175.0 . 1 957 86 GLU CA C 58.1 . 1 958 86 GLU CB C 28.6 . 1 959 86 GLU HB2 H 1.25 . 1 960 86 GLU HB3 H 1.25 . 1 961 86 GLU CG C 34.9 . 1 962 86 GLU HG2 H 2.20 . 1 963 86 GLU HG3 H 2.20 . 1 964 87 ASP N N 114.1 . 1 965 87 ASP H H 7.81 . 1 966 87 ASP C C 176.6 . 1 967 87 ASP CA C 51.9 . 1 968 87 ASP HA H 4.57 . 1 969 87 ASP CB C 39.9 . 1 970 87 ASP HB2 H 2.99 . 2 971 87 ASP HB3 H 2.54 . 2 972 88 GLY N N 106.9 . 1 973 88 GLY H H 8.53 . 1 974 88 GLY C C 173.6 . 1 975 88 GLY CA C 44.2 . 1 976 88 GLY HA2 H 3.62 . 2 977 88 GLY HA3 H 3.39 . 2 978 89 ARG N N 116.4 . 1 979 89 ARG H H 7.41 . 1 980 89 ARG C C 173.7 . 1 981 89 ARG CA C 56.6 . 1 982 89 ARG HA H 3.98 . 1 983 89 ARG CB C 30.5 . 1 984 89 ARG HB2 H 1.68 . 2 985 89 ARG HB3 H 1.39 . 2 986 89 ARG CG C 27.1 . 1 987 89 ARG HG2 H 1.70 . 1 988 89 ARG HG3 H 1.70 . 1 989 89 ARG CD C 43.2 . 1 990 89 ARG HD2 H 3.28 . 2 991 89 ARG HD3 H 3.08 . 2 992 90 LEU C C 174.9 . 1 993 90 LEU CA C 52.3 . 1 994 90 LEU HA H 5.23 . 1 995 90 LEU CB C 43.0 . 1 996 90 LEU HB2 H 0.92 . 1 997 90 LEU HB3 H 0.92 . 1 998 90 LEU HG H 1.48 . 1 999 90 LEU HD1 H 0.93 . 2 1000 90 LEU HD2 H 0.91 . 2 1001 90 LEU CD1 C 25.9 . 2 1002 90 LEU CD2 C 23.1 . 2 1003 91 LEU N N 118.7 . 1 1004 91 LEU H H 8.64 . 1 1005 91 LEU C C 173.4 . 1 1006 91 LEU CA C 54.0 . 1 1007 91 LEU HA H 4.49 . 1 1008 91 LEU CB C 44.5 . 1 1009 91 LEU HB2 H 1.71 . 2 1010 91 LEU HB3 H 1.42 . 2 1011 91 LEU HG H 1.40 . 1 1012 91 LEU HD1 H 0.78 . 1 1013 91 LEU HD2 H 0.78 . 1 1014 91 LEU CD1 C 25.6 . 2 1015 91 LEU CD2 C 23.9 . 2 1016 92 ALA N N 120.6 . 1 1017 92 ALA H H 8.76 . 1 1018 92 ALA C C 176.4 . 1 1019 92 ALA CA C 49.8 . 1 1020 92 ALA HA H 5.31 . 1 1021 92 ALA CB C 21.9 . 1 1022 92 ALA HB H 0.93 . 1 1023 93 SER N N 119.3 . 1 1024 93 SER H H 9.74 . 1 1025 93 SER C C 175.1 . 1 1026 93 SER CA C 56.0 . 1 1027 93 SER HA H 4.67 . 1 1028 93 SER CB C 65.3 . 1 1029 93 SER HB2 H 3.79 . 1 1030 93 SER HB3 H 3.79 . 1 1031 94 LYS N N 124.00 . 1 1032 94 LYS H H 9.37 . 1 1033 94 LYS C C 175.7 . 1 1034 94 LYS CA C 59.4 . 1 1035 94 LYS HA H 4.24 . 1 1036 94 LYS CB C 32.6 . 1 1037 94 LYS HB2 H 1.96 . 2 1038 94 LYS HB3 H 1.82 . 2 1039 94 LYS CG C 25.2 . 1 1040 94 LYS HG2 H 1.58 . 2 1041 94 LYS HG3 H 1.5 . 2 1042 94 LYS CD C 29.00 . 1 1043 94 LYS HD2 H 1.75 . 1 1044 94 LYS HD3 H 1.75 . 1 1045 94 LYS CE C 41.5 . 1 1046 94 LYS HE2 H 2.99 . 1 1047 94 LYS HE3 H 2.99 . 1 1048 95 SER N N 108.5 . 1 1049 95 SER H H 7.68 . 1 1050 95 SER C C 172.5 . 1 1051 95 SER CA C 55.8 . 1 1052 95 SER HA H 4.72 . 1 1053 95 SER CB C 64.8 . 1 1054 95 SER HB2 H 3.68 . 2 1055 95 SER HB3 H 3.59 . 2 1056 96 VAL N N 120.8 . 1 1057 96 VAL H H 8.35 . 1 1058 96 VAL C C 175.3 . 1 1059 96 VAL CA C 62.8 . 1 1060 96 VAL HA H 3.60 . 1 1061 96 VAL CB C 30.6 . 1 1062 96 VAL HB H 1.27 . 1 1063 96 VAL HG1 H 0.44 . 2 1064 96 VAL HG2 H -.06 . 2 1065 96 VAL CG1 C 21.1 . 2 1066 96 VAL CG2 C 20.3 . 2 1067 97 THR N N 117.4 . 1 1068 97 THR H H 7.24 . 1 1069 97 THR C C 173.9 . 1 1070 97 THR CA C 58.7 . 1 1071 97 THR HA H 4.65 . 1 1072 97 THR CB C 71.9 . 1 1073 97 THR HB H 4.50 . 1 1074 97 THR HG2 H 0.99 . 1 1075 97 THR CG2 C 20.7 . 1 1076 98 ASP N N 115.4 . 1 1077 98 ASP H H 8.77 . 1 1078 98 ASP C C 177.1 . 1 1079 98 ASP CA C 55.6 . 1 1080 98 ASP HA H 4.25 . 1 1081 98 ASP CB C 38.9 . 1 1082 98 ASP HB2 H 2.67 . 1 1083 98 ASP HB3 H 2.67 . 1 1084 99 GLU N N 117.1 . 1 1085 99 GLU H H 7.69 . 1 1086 99 GLU C C 176.7 . 1 1087 99 GLU CA C 57.1 . 1 1088 99 GLU HA H 4.09 . 1 1089 99 GLU CB C 29.9 . 1 1090 99 GLU HB2 H 2.90 . 2 1091 99 GLU HB3 H 1.67 . 2 1092 99 GLU CG C 38.4 . 1 1093 99 GLU HG2 H 2.51 . 2 1094 99 GLU HG3 H 2.30 . 2 1095 100 CYS N N 113.4 . 1 1096 100 CYS H H 7.66 . 1 1097 100 CYS C C 172.6 . 1 1098 100 CYS CA C 57.6 . 1 1099 100 CYS HA H 5.22 . 1 1100 100 CYS CB C 27.4 . 1 1101 100 CYS HB2 H 3.07 . 2 1102 100 CYS HB3 H 2.52 . 2 1103 101 PHE N N 113.1 . 1 1104 101 PHE H H 6.39 . 1 1105 101 PHE C C 174.6 . 1 1106 101 PHE CA C 56.1 . 1 1107 101 PHE HA H 5.09 . 1 1108 101 PHE CB C 41.1 . 1 1109 101 PHE HB2 H 2.35 . 2 1110 101 PHE HB3 H 2.21 . 2 1111 101 PHE HD1 H 6.76 . 2 1112 101 PHE HD2 H 6.76 . 2 1113 101 PHE CD1 C 130.2 . 1 1114 101 PHE CD2 C 130.2 . 1 1115 101 PHE CE1 C 131.2 . 1 1116 101 PHE CE2 C 131.2 . 1 1117 101 PHE HE1 H 6.97 . 2 1118 101 PHE HE2 H 6.97 . 2 1119 101 PHE CZ C 129.6 . 1 1120 101 PHE HZ H 6.95 . 1 1121 102 PHE N N 119.00 . 1 1122 102 PHE H H 9.38 . 1 1123 102 PHE C C 174.6 . 1 1124 102 PHE CA C 56.2 . 1 1125 102 PHE HA H 4.98 . 1 1126 102 PHE CB C 42.8 . 1 1127 102 PHE HB2 H 2.89 . 2 1128 102 PHE HB3 H 2.63 . 2 1129 102 PHE HD1 H 6.90 . 1 1130 102 PHE HD2 H 6.90 . 1 1131 102 PHE CD1 C 131.3 . 1 1132 102 PHE CD2 C 131.3 . 1 1133 102 PHE CE1 C 130.1 . 1 1134 102 PHE CE2 C 130.1 . 1 1135 102 PHE HE1 H 7.14 . 1 1136 102 PHE HE2 H 7.14 . 1 1137 102 PHE CZ C 128.8 . 1 1138 102 PHE HZ H 6.97 . 1 1139 103 PHE N N 120.0 . 1 1140 103 PHE H H 10.23 . 1 1141 103 PHE C C 175.6 . 1 1142 103 PHE CA C 57.2 . 1 1143 103 PHE HA H 5.27 . 1 1144 103 PHE CB C 39.3 . 1 1145 103 PHE HB2 H 3.07 . 2 1146 103 PHE HB3 H 2.86 . 2 1147 103 PHE HD1 H 7.08 . 1 1148 103 PHE HD2 H 7.08 . 1 1149 103 PHE CD1 C 131.7 . 1 1150 103 PHE CD2 C 131.7 . 1 1151 103 PHE CE1 C 130.6 . 1 1152 103 PHE CE2 C 130.6 . 1 1153 103 PHE HE1 H 7.26 . 1 1154 103 PHE HE2 H 7.26 . 1 1155 103 PHE CZ C 130.8 . 1 1156 103 PHE HZ H 7.39 . 1 1157 104 GLU N N 126.9 . 1 1158 104 GLU H H 8.65 . 1 1159 104 GLU C C 174.9 . 1 1160 104 GLU CA C 54.1 . 1 1161 104 GLU HA H 4.97 . 1 1162 104 GLU CB C 32.1 . 1 1163 104 GLU HB2 H 2.18 . 2 1164 104 GLU HB3 H 1.85 . 2 1165 104 GLU CG C 37.2 . 1 1166 104 GLU HG2 H 1.78 . 1 1167 104 GLU HG3 H 1.78 . 1 1168 105 ARG N N 127.5 . 1 1169 105 ARG H H 8.50 . 1 1170 105 ARG C C 173.3 . 1 1171 105 ARG CA C 54.0 . 1 1172 105 ARG HA H 4.73 . 1 1173 105 ARG CB C 33.6 . 1 1174 105 ARG HB2 H 1.83 . 2 1175 105 ARG HB3 H 1.57 . 2 1176 105 ARG CG C 27.2 . 1 1177 105 ARG HG2 H 1.60 . 2 1178 105 ARG HG3 H 1.43 . 2 1179 105 ARG CD C 43.1 . 1 1180 105 ARG HD2 H 3.17 . 1 1181 105 ARG HD3 H 3.17 . 1 1182 106 LEU N N 124.9 . 1 1183 106 LEU H H 8.32 . 1 1184 106 LEU C C 176.3 . 1 1185 106 LEU CA C 54.9 . 1 1186 106 LEU HA H 4.76 . 1 1187 106 LEU CB C 42.2 . 1 1188 106 LEU HB2 H 1.69 . 2 1189 106 LEU HB3 H 1.38 . 2 1190 106 LEU CG C 25.6 . 1 1191 106 LEU HG H 1.58 . 1 1192 106 LEU HD1 H 0.84 . 1 1193 106 LEU HD2 H 0.84 . 1 1194 106 LEU CD1 C 23.3 . 1 1195 106 LEU CD2 C 23.3 . 1 1196 107 GLU N N 126.2 . 1 1197 107 GLU H H 9.36 . 1 1198 107 GLU C C 176.2 . 1 1199 107 GLU CA C 55.0 . 1 1200 107 GLU HA H 4.64 . 1 1201 107 GLU CB C 29.9 . 1 1202 107 GLU HB2 H 2.12 . 2 1203 107 GLU HB3 H 1.89 . 2 1204 107 GLU CG C 35.3 . 1 1205 107 GLU HG2 H 2.25 . 1 1206 107 GLU HG3 H 2.25 . 1 1207 108 SER N N 111.3 . 1 1208 108 SER H H 8.31 . 1 1209 108 SER C C 174.2 . 1 1210 108 SER CA C 58.9 . 1 1211 108 SER HA H 4.33 . 1 1212 108 SER CB C 63.2 . 1 1213 108 SER HB2 H 3.87 . 1 1214 108 SER HB3 H 3.87 . 1 1215 109 ASN N N 116.6 . 1 1216 109 ASN H H 8.69 . 1 1217 109 ASN C C 173.6 . 1 1218 109 ASN CA C 53.8 . 1 1219 109 ASN HA H 4.43 . 1 1220 109 ASN CB C 37.2 . 1 1221 109 ASN HB2 H 2.99 . 1 1222 109 ASN HB3 H 2.99 . 1 1223 109 ASN HD21 H 7.55 . 2 1224 109 ASN HD22 H 6.45 . 2 1225 109 ASN ND2 N 109.2 . 1 1226 110 ASN N N 106.3 . 1 1227 110 ASN H H 8.38 . 1 1228 110 ASN C C 173.2 . 1 1229 110 ASN CA C 55.2 . 1 1230 110 ASN HA H 4.21 . 1 1231 110 ASN CB C 37.1 . 1 1232 110 ASN HB2 H 3.00 . 2 1233 110 ASN HB3 H 2.88 . 2 1234 110 ASN HD21 H 7.33 . 2 1235 110 ASN HD22 H 6.84 . 2 1236 110 ASN ND2 N 110.6 . 1 1237 111 TYR N N 116.0 . 1 1238 111 TYR H H 7.77 . 1 1239 111 TYR C C 173.7 . 1 1240 111 TYR CA C 58.7 . 1 1241 111 TYR HA H 4.50 . 1 1242 111 TYR CB C 40.2 . 1 1243 111 TYR HB2 H 3.14 . 2 1244 111 TYR HB3 H 2.77 . 2 1245 111 TYR HD1 H 7.07 . 3 1246 111 TYR HD2 H 7.07 . 3 1247 111 TYR CD1 C 133.6 . 1 1248 111 TYR CD2 C 133.6 . 1 1249 111 TYR CE1 C 118.0 . 1 1250 111 TYR CE2 C 118.0 . 1 1251 111 TYR HE1 H 6.81 . 3 1252 111 TYR HE2 H 6.81 . 3 1253 112 ASN N N 116.9 . 1 1254 112 ASN H H 9.72 . 1 1255 112 ASN C C 174.8 . 1 1256 112 ASN CA C 51.1 . 1 1257 112 ASN HA H 5.97 . 1 1258 112 ASN CB C 42.2 . 1 1259 112 ASN HB2 H 2.78 . 2 1260 112 ASN HB3 H 2.38 . 2 1261 112 ASN HD21 H 6.71 . 2 1262 112 ASN HD22 H 6.21 . 2 1263 112 ASN ND2 N 104.7 . 1 1264 113 THR N N 104.9 . 1 1265 113 THR H H 8.69 . 1 1266 113 THR C C 173.0 . 1 1267 113 THR CA C 59.1 . 1 1268 113 THR HA H 5.12 . 1 1269 113 THR CB C 72.7 . 1 1270 113 THR HB H 4.54 . 1 1271 113 THR HG2 H 1.23 . 1 1272 113 THR CG2 C 21.8 . 1 1273 114 TYR N N 117.7 . 1 1274 114 TYR H H 10.62 . 1 1275 114 TYR C C 173.0 . 1 1276 114 TYR CA C 57.6 . 1 1277 114 TYR HA H 5.19 . 1 1278 114 TYR CB C 39.5 . 1 1279 114 TYR HB2 H 2.46 . 2 1280 114 TYR HB3 H 2.26 . 2 1281 114 TYR HD1 H 6.65 . 2 1282 114 TYR HD2 H 6.65 . 2 1283 114 TYR CD1 C 131.5 . 1 1284 114 TYR CD2 C 131.5 . 1 1285 114 TYR CE1 C 117.7 . 1 1286 114 TYR CE2 C 117.7 . 1 1287 114 TYR HE1 H 6.55 . 2 1288 114 TYR HE2 H 6.55 . 2 1289 115 ARG N N 124.3 . 1 1290 115 ARG H H 8.72 . 1 1291 115 ARG C C 176.0 . 1 1292 115 ARG CA C 53.8 . 1 1293 115 ARG HA H 4.85 . 1 1294 115 ARG CB C 34.7 . 1 1295 115 ARG HB2 H 1.89 . 2 1296 115 ARG HB3 H 1.58 . 2 1297 115 ARG CG C 26.0 . 1 1298 115 ARG CD C 42.8 . 1 1299 116 SER N N 118.6 . 1 1300 116 SER H H 8.79 . 1 1301 116 SER C C 173.0 . 1 1302 116 SER CA C 59.1 . 1 1303 116 SER HA H 3.90 . 1 1304 116 SER CB C 62.2 . 1 1305 116 SER HB2 H 4.60 . 2 1306 116 SER HB3 H 4.15 . 2 1307 117 ARG N N 121.5 . 1 1308 117 ARG H H 7.43 . 1 1309 117 ARG C C 174.9 . 1 1310 117 ARG CA C 56.7 . 1 1311 117 ARG HA H 3.93 . 1 1312 117 ARG CB C 30.8 . 1 1313 117 ARG HB2 H 1.36 . 2 1314 117 ARG HB3 H 0.41 . 2 1315 117 ARG CG C 26.2 . 1 1316 117 ARG HG2 H 1.37 . 2 1317 117 ARG HG3 H 1.30 . 2 1318 117 ARG CD C 43.7 . 1 1319 117 ARG HD2 H 2.83 . 2 1320 117 ARG HD3 H 2.31 . 2 1321 118 LYS N N 116.5 . 1 1322 118 LYS H H 7.50 . 1 1323 118 LYS C C 175.7 . 1 1324 118 LYS CA C 56.7 . 1 1325 118 LYS HA H 3.84 . 1 1326 118 LYS CB C 34.1 . 1 1327 118 LYS HB2 H 1.09 . 2 1328 118 LYS HB3 H 0.75 . 2 1329 118 LYS CG C 24.8 . 1 1330 118 LYS HG2 H 0.53 . 2 1331 118 LYS HG3 H 0.32 . 2 1332 118 LYS CD C 29.2 . 1 1333 118 LYS HD2 H 1.13 . 1 1334 118 LYS HD3 H 1.13 . 1 1335 118 LYS CE C 42.0 . 1 1336 118 LYS HE2 H 2.80 . 2 1337 118 LYS HE3 H 2.72 . 2 1338 119 TYR N N 121.0 . 1 1339 119 TYR H H 7.97 . 1 1340 119 TYR C C 176.1 . 1 1341 119 TYR CA C 54.9 . 1 1342 119 TYR HA H 4.40 . 1 1343 119 TYR CB C 36.5 . 1 1344 119 TYR HB2 H 2.70 . 2 1345 119 TYR HB3 H 1.96 . 2 1346 119 TYR HD1 H 6.75 . 1 1347 119 TYR HD2 H 6.75 . 1 1348 119 TYR CD1 C 133.1 . 1 1349 119 TYR CD2 C 133.1 . 1 1350 119 TYR CE1 C 117.1 . 1 1351 119 TYR CE2 C 117.1 . 1 1352 119 TYR HE1 H 6.95 . 1 1353 119 TYR HE2 H 6.95 . 1 1354 120 THR N N 102.2 . 1 1355 120 THR H H 6.69 . 1 1356 120 THR C C 176.0 . 1 1357 120 THR CA C 64.2 . 1 1358 120 THR HA H 4.59 . 1 1359 120 THR CB C 69.1 . 1 1360 120 THR HB H 4.24 . 1 1361 120 THR HG2 H 1.19 . 1 1362 120 THR CG2 C 22.0 . 1 1363 121 SER N N 114.3 . 1 1364 121 SER H H 8.1 . 1 1365 121 SER C C 172.6 . 1 1366 121 SER CA C 57.9 . 1 1367 121 SER HA H 4.68 . 1 1368 121 SER CB C 63.4 . 1 1369 121 SER HB2 H 4.01 . 2 1370 121 SER HB3 H 3.76 . 2 1371 122 TRP N N 119.9 . 1 1372 122 TRP H H 8.27 . 1 1373 122 TRP C C 173.9 . 1 1374 122 TRP CA C 54.1 . 1 1375 122 TRP HA H 5.18 . 1 1376 122 TRP CB C 33.1 . 1 1377 122 TRP HB2 H 3.7 . 2 1378 122 TRP HB3 H 2.86 . 2 1379 122 TRP HD1 H 6.78 . 1 1380 122 TRP CD1 C 124.1 . 1 1381 122 TRP HE1 H 10.06 . 1 1382 122 TRP HH2 H 7.05 . 1 1383 122 TRP CH2 C 124.3 . 1 1384 122 TRP HZ3 H 6.6 . 1 1385 122 TRP NE1 N 125.3 . 1 1386 122 TRP CZ2 C 113.5 . 1 1387 122 TRP HZ2 H 7.35 . 1 1388 123 TYR N N 117.6 . 1 1389 123 TYR H H 8.29 . 1 1390 123 TYR C C 176.3 . 1 1391 123 TYR CA C 56.6 . 1 1392 123 TYR HA H 5.36 . 1 1393 123 TYR CB C 41.4 . 1 1394 123 TYR HB2 H 3.48 . 2 1395 123 TYR HB3 H 2.52 . 2 1396 123 TYR HD1 H 7.28 . 1 1397 123 TYR HD2 H 7.28 . 1 1398 123 TYR CD1 C 133.6 . 1 1399 123 TYR CD2 C 133.6 . 1 1400 123 TYR CE1 C 117.2 . 1 1401 123 TYR CE2 C 117.2 . 1 1402 123 TYR HE1 H 6.75 . 1 1403 123 TYR HE2 H 6.75 . 1 1404 124 VAL N N 120.0 . 1 1405 124 VAL H H 8.66 . 1 1406 124 VAL C C 176.3 . 1 1407 124 VAL CA C 63.7 . 1 1408 124 VAL HA H 3.69 . 1 1409 124 VAL CB C 32.2 . 1 1410 124 VAL HB H 1.85 . 1 1411 124 VAL HG1 H 0.29 . 2 1412 124 VAL HG2 H 0.43 . 2 1413 124 VAL CG1 C 23.4 . 2 1414 124 VAL CG2 C 20.3 . 2 1415 125 ALA N N 127.0 . 1 1416 125 ALA H H 8.77 . 1 1417 125 ALA C C 175.4 . 1 1418 125 ALA CA C 51.6 . 1 1419 125 ALA HA H 5.34 . 1 1420 125 ALA CB C 25.7 . 1 1421 125 ALA HB H 1.24 . 1 1422 126 LEU N N 114.7 . 1 1423 126 LEU H H 7.81 . 1 1424 126 LEU C C 175.8 . 1 1425 126 LEU CA C 53.1 . 1 1426 126 LEU HA H 4.82 . 1 1427 126 LEU CB C 44.7 . 1 1428 126 LEU HB2 H 2.16 . 2 1429 126 LEU HB3 H 1.02 . 2 1430 126 LEU HG H 1.64 . 1 1431 126 LEU HD1 H 0.72 . 2 1432 126 LEU HD2 H 0.6 . 2 1433 126 LEU CD1 C 26.9 . 2 1434 126 LEU CD2 C 20.9 . 2 1435 127 LYS N N 115.1 . 1 1436 127 LYS H H 8.52 . 1 1437 127 LYS C C 177.6 . 1 1438 127 LYS CA C 55.6 . 1 1439 127 LYS HA H 4.19 . 1 1440 127 LYS CB C 35.0 . 1 1441 127 LYS HB2 H 2.00 . 2 1442 127 LYS HB3 H 1.63 . 2 1443 127 LYS CG C 25.2 . 1 1444 128 ARG N N 117.00 . 1 1445 128 ARG H H 9.15 . 1 1446 128 ARG C C 175.4 . 1 1447 128 ARG CA C 57.6 . 1 1448 128 ARG HA H 4.07 . 1 1449 128 ARG CB C 28.9 . 1 1450 128 ARG HB2 H 1.80 . 1 1451 128 ARG HB3 H 1.80 . 1 1452 128 ARG CG C 26.4 . 1 1453 128 ARG HG2 H 1.56 . 1 1454 128 ARG HG3 H 1.56 . 1 1455 128 ARG CD C 43.1 . 1 1456 128 ARG HD2 H 3.12 . 1 1457 128 ARG HD3 H 3.12 . 1 1458 129 THR N N 102.3 . 1 1459 129 THR H H 6.71 . 1 1460 129 THR C C 175.9 . 1 1461 129 THR CA C 60.6 . 1 1462 129 THR HA H 4.17 . 1 1463 129 THR CB C 69.6 . 1 1464 129 THR HB H 4.39 . 1 1465 129 THR HG2 H 1.15 . 1 1466 129 THR CG2 C 21.9 . 1 1467 130 GLY N N 110.7 . 1 1468 130 GLY H H 7.70 . 1 1469 130 GLY C C 171.4 . 1 1470 130 GLY CA C 43.8 . 1 1471 130 GLY HA2 H 3.09 . 2 1472 130 GLY HA3 H 1.73 . 2 1473 131 GLN N N 113.0 . 1 1474 131 GLN H H 6.49 . 1 1475 131 GLN C C 175.5 . 1 1476 131 GLN CA C 53.0 . 1 1477 131 GLN HA H 4.60 . 1 1478 131 GLN CB C 29.7 . 1 1479 131 GLN HB2 H 1.90 . 2 1480 131 GLN HB3 H 1.31 . 2 1481 131 GLN CG C 33.2 . 1 1482 131 GLN HG2 H 2.18 . 1 1483 131 GLN HG3 H 2.18 . 1 1484 131 GLN HE21 H 7.55 . 2 1485 131 GLN HE22 H 6.95 . 2 1486 131 GLN NE2 N 112.5 . 1 1487 132 TYR N N 115.6 . 1 1488 132 TYR H H 8.51 . 1 1489 132 TYR C C 172.5 . 1 1490 132 TYR CA C 57.9 . 1 1491 132 TYR HA H 4.85 . 1 1492 132 TYR CB C 38.1 . 1 1493 132 TYR HB2 H 3.38 . 2 1494 132 TYR HB3 H 2.59 . 2 1495 132 TYR HD1 H 7.13 . 1 1496 132 TYR HD2 H 7.13 . 1 1497 132 TYR CD1 C 133.9 . 1 1498 132 TYR CD2 C 133.9 . 1 1499 132 TYR CE1 C 117.6 . 1 1500 132 TYR CE2 C 117.6 . 1 1501 132 TYR HE1 H 6.92 . 1 1502 132 TYR HE2 H 6.92 . 1 1503 133 LYS N N 121.2 . 1 1504 133 LYS H H 8.11 . 1 1505 133 LYS C C 173.9 . 1 1506 133 LYS CA C 53.6 . 1 1507 133 LYS HA H 4.19 . 1 1508 133 LYS CB C 35.0 . 1 1509 133 LYS HB2 H 1.54 . 2 1510 133 LYS HB3 H 1.08 . 2 1511 133 LYS CG C 25.2 . 1 1512 133 LYS HG2 H 1.29 . 1 1513 133 LYS HG3 H 1.29 . 1 1514 133 LYS CD C 30.5 . 1 1515 133 LYS HD2 H 1.29 . 2 1516 133 LYS HD3 H 1.17 . 2 1517 133 LYS HE2 H 2.75 . 1 1518 133 LYS HE3 H 2.75 . 1 1519 134 LEU N N 125.1 . 1 1520 134 LEU H H 8.56 . 1 1521 134 LEU C C 179.8 . 1 1522 134 LEU CA C 55.3 . 1 1523 134 LEU HA H 3.98 . 1 1524 134 LEU CB C 42.6 . 1 1525 134 LEU HB2 H 1.41 . 2 1526 134 LEU HB3 H 1.22 . 2 1527 134 LEU CG C 27.3 . 1 1528 134 LEU HG H 1.57 . 1 1529 134 LEU HD1 H 0.82 . 1 1530 134 LEU HD2 H 0.82 . 1 1531 134 LEU CD1 C 24.2 . 2 1532 134 LEU CD2 C 23.9 . 2 1533 135 GLY N N 108.1 . 1 1534 135 GLY H H 9.71 . 1 1535 135 GLY C C 174.7 . 1 1536 135 GLY CA C 46.5 . 1 1537 135 GLY HA2 H 3.86 . 2 1538 135 GLY HA3 H 3.60 . 2 1539 136 SER N N 108.2 . 1 1540 136 SER H H 6.31 . 1 1541 136 SER C C 174.6 . 1 1542 136 SER CA C 58.00 . 1 1543 136 SER HA H 3.18 . 1 1544 136 SER CB C 61.8 . 1 1545 136 SER HB2 H 3.74 . 2 1546 136 SER HB3 H 2.78 . 2 1547 137 LYS N N 118.1 . 1 1548 137 LYS H H 7.73 . 1 1549 137 LYS C C 176.5 . 1 1550 137 LYS CA C 54.3 . 1 1551 137 LYS HA H 4.57 . 1 1552 137 LYS CB C 31.9 . 1 1553 137 LYS HB2 H 2.04 . 2 1554 137 LYS HB3 H 1.65 . 2 1555 137 LYS CG C 24.6 . 1 1556 137 LYS HG2 H 1.37 . 2 1557 137 LYS HG3 H 1.25 . 2 1558 137 LYS CD C 27.9 . 1 1559 137 LYS HD2 H 1.58 . 1 1560 137 LYS HD3 H 1.58 . 1 1561 137 LYS CE C 41.8 . 1 1562 137 LYS HE2 H 2.89 . 2 1563 137 LYS HE3 H 2.82 . 2 1564 138 THR N N 108.1 . 1 1565 138 THR H H 7.39 . 1 1566 138 THR C C 173.5 . 1 1567 138 THR CA C 60.8 . 1 1568 138 THR HA H 4.88 . 1 1569 138 THR CB C 72.7 . 1 1570 138 THR HB H 4.11 . 1 1571 138 THR HG2 H 1.34 . 1 1572 138 THR CG2 C 22.4 . 1 1573 139 GLY N N 128.7 . 1 1574 139 GLY H H 6.57 . 1 1575 139 GLY C C 168.5 . 1 1576 139 GLY CA C 44.9 . 1 1577 139 GLY HA2 H 4.34 . 1 1578 139 GLY HA3 H 4.34 . 1 1579 140 PRO C C 177.4 . 1 1580 140 PRO CA C 62.7 . 1 1581 140 PRO HA H 4.02 . 1 1582 140 PRO CB C 31.8 . 1 1583 140 PRO HB2 H 2.27 . 2 1584 140 PRO HB3 H 1.88 . 2 1585 140 PRO CG C 27.0 . 1 1586 140 PRO HG2 H 2.07 . 1 1587 140 PRO HG3 H 2.07 . 1 1588 140 PRO CD C 49.3 . 1 1589 140 PRO HD2 H 3.85 . 1 1590 140 PRO HD3 H 3.85 . 1 1591 141 GLY N N 107.8 . 1 1592 141 GLY H H 8.57 . 1 1593 141 GLY C C 173.8 . 1 1594 141 GLY CA C 45.0 . 1 1595 141 GLY HA2 H 3.96 . 2 1596 141 GLY HA3 H 3.59 . 2 1597 142 GLN N N 115.5 . 1 1598 142 GLN H H 6.68 . 1 1599 142 GLN C C 176.6 . 1 1600 142 GLN CA C 54.8 . 1 1601 142 GLN HA H 4.22 . 1 1602 142 GLN CB C 28.7 . 1 1603 142 GLN HB2 H 2.21 . 2 1604 142 GLN HB3 H 1.82 . 2 1605 142 GLN CG C 32.8 . 1 1606 142 GLN HG2 H 2.35 . 1 1607 142 GLN HG3 H 2.35 . 1 1608 143 LYS N N 122.1 . 1 1609 143 LYS H H 8.88 . 1 1610 143 LYS C C 177.2 . 1 1611 143 LYS CA C 59.1 . 1 1612 143 LYS HA H 3.70 . 1 1613 143 LYS CB C 32.0 . 1 1614 143 LYS HB2 H 1.57 . 2 1615 143 LYS HB3 H 1.24 . 2 1616 143 LYS CG C 25.5 . 1 1617 143 LYS HG2 H 1.57 . 2 1618 143 LYS HG3 H 1.41 . 2 1619 143 LYS CD C 29.1 . 1 1620 143 LYS HD2 H 1.50 . 1 1621 143 LYS HD3 H 1.50 . 1 1622 143 LYS CE C 41.2 . 1 1623 143 LYS HE2 H 2.90 . 1 1624 143 LYS HE3 H 2.90 . 1 1625 144 ALA N N 112.2 . 1 1626 144 ALA H H 7.74 . 1 1627 144 ALA C C 175.0 . 1 1628 144 ALA CA C 54.0 . 1 1629 144 ALA HA H 3.96 . 1 1630 144 ALA CB C 20.9 . 1 1631 144 ALA HB H 1.33 . 1 1632 145 ILE N N 99.0 . 1 1633 145 ILE H H 6.12 . 1 1634 145 ILE C C 175.0 . 1 1635 145 ILE CA C 59.3 . 1 1636 145 ILE HA H 5.07 . 1 1637 145 ILE CB C 38.1 . 1 1638 145 ILE HB H 2.33 . 1 1639 145 ILE HG2 H 0.73 . 1 1640 145 ILE CG1 C 24.3 . 1 1641 145 ILE HG12 H 1.37 . 1 1642 145 ILE HG13 H 1.37 . 1 1643 145 ILE CG2 C 17.3 . 1 1644 145 ILE HD1 H 0.17 . 1 1645 145 ILE CD1 C 13.5 . 1 1646 146 LEU N N 119.7 . 1 1647 146 LEU H H 6.97 . 1 1648 146 LEU C C 175.42 . 1 1649 146 LEU CA C 53.7 . 1 1650 146 LEU HA H 4.73 . 1 1651 146 LEU CB C 42.2 . 1 1652 146 LEU HB2 H 1.68 . 2 1653 146 LEU HB3 H 0.88 . 2 1654 146 LEU HG H 0.88 . 1 1655 146 LEU HD1 H 0.66 . 2 1656 146 LEU HD2 H 0.53 . 2 1657 146 LEU CD1 C 22.0 . 2 1658 146 LEU CD2 C 26.3 . 2 1659 147 PHE N N 118.7 . 1 1660 147 PHE H H 9.77 . 1 1661 147 PHE C C 174.1 . 1 1662 147 PHE CA C 56.2 . 1 1663 147 PHE HA H 5.56 . 1 1664 147 PHE CB C 43.9 . 1 1665 147 PHE HB2 H 3.09 . 2 1666 147 PHE HB3 H 2.65 . 2 1667 147 PHE HD1 H 7.19 . 1 1668 147 PHE HD2 H 7.19 . 1 1669 147 PHE CD1 C 131.6 . 1 1670 147 PHE CD2 C 131.6 . 1 1671 147 PHE CE1 C 130.6 . 1 1672 147 PHE CE2 C 130.6 . 1 1673 147 PHE HE1 H 7.32 . 1 1674 147 PHE HE2 H 7.32 . 1 1675 147 PHE CZ C 128.8 . 1 1676 147 PHE HZ H 6.95 . 1 1677 148 LEU N N 126.4 . 1 1678 148 LEU H H 10.24 . 1 1679 148 LEU C C 174.9 . 1 1680 148 LEU CA C 51.0 . 1 1681 148 LEU HA H 4.96 . 1 1682 148 LEU CB C 44.4 . 1 1683 148 LEU HB2 H 1.92 . 2 1684 148 LEU HB3 H 0.87 . 2 1685 148 LEU CG C 26.5 . 1 1686 148 LEU HG H 1.23 . 1 1687 148 LEU HD1 H 0.62 . 2 1688 148 LEU HD2 H 0.56 . 2 1689 148 LEU CD1 C 25.4 . 2 1690 148 LEU CD2 C 23.8 . 2 1691 149 PRO C C 176.00 . 1 1692 149 PRO CA C 61.3 . 1 1693 149 PRO HA H 5.19 . 1 1694 149 PRO CB C 30.4 . 1 1695 149 PRO HB2 H 1.95 . 1 1696 149 PRO HB3 H 1.95 . 1 1697 149 PRO CG C 27.7 . 1 1698 149 PRO HG2 H 2.22 . 2 1699 149 PRO HG3 H 1.97 . 2 1700 149 PRO CD C 51.1 . 1 1701 149 PRO HD2 H 4.40 . 2 1702 149 PRO HD3 H 3.85 . 2 1703 150 MET N N 123.1 . 1 1704 150 MET H H 9.44 . 1 1705 150 MET C C 174.9 . 1 1706 150 MET CA C 54.2 . 1 1707 150 MET HA H 4.67 . 1 1708 150 MET CB C 36.2 . 1 1709 150 MET HB2 H 2.27 . 2 1710 150 MET HB3 H 1.82 . 2 1711 150 MET CG C 31.7 . 1 1712 150 MET HG2 H 2.68 . 2 1713 150 MET HG3 H 2.42 . 2 1714 150 MET CE C 16.7 . 1 1715 150 MET HE H 1.88 . 1 1716 151 SER N N 113.5 . 1 1717 151 SER H H 8.73 . 1 1718 151 SER C C 174.7 . 1 1719 151 SER CA C 58.9 . 1 1720 151 SER HA H 4.33 . 1 1721 151 SER CB C 63.2 . 1 1722 151 SER HB2 H 3.97 . 2 1723 151 SER HB3 H 3.79 . 2 1724 152 ALA N N 125.0 . 1 1725 152 ALA H H 8.46 . 1 1726 152 ALA C C 175.6 . 1 1727 152 ALA CA C 51.0 . 1 1728 152 ALA HA H 4.36 . 1 1729 152 ALA CB C 18.7 . 1 1730 152 ALA HB H 1.10 . 1 1731 153 LYS N N 117.6 . 1 1732 153 LYS H H 8.01 . 1 1733 153 LYS C C 175.4 . 1 1734 153 LYS CA C 56.4 . 1 1735 153 LYS HA H 4.17 . 1 1736 153 LYS CB C 32.8 . 1 1737 153 LYS HB2 H 1.77 . 2 1738 153 LYS HB3 H 1.64 . 2 1739 153 LYS CG C 24.4 . 1 1740 153 LYS HG2 H 1.36 . 1 1741 153 LYS HG3 H 1.36 . 1 1742 153 LYS CD C 28.7 . 1 1743 153 LYS HD2 H 2.22 . 1 1744 153 LYS HD3 H 2.22 . 1 1745 153 LYS CE C 41.6 . 1 1746 153 LYS HE2 H 2.92 . 1 1747 153 LYS HE3 H 2.92 . 1 1748 154 SER N N 119.7 . 1 1749 154 SER H H 7.82 . 1 1750 154 SER C C 178.2 . 1 1751 154 SER CA C 59.7 . 1 1752 154 SER HA H 4.11 . 1 1753 154 SER CB C 64.3 . 1 1754 154 SER HB2 H 3.75 . 1 1755 154 SER HB3 H 3.75 . 1 stop_ save_