data_25485 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) ; _BMRB_accession_number 25485 _BMRB_flat_file_name bmr25485.str _Entry_type original _Submission_date 2015-02-11 _Accession_date 2015-02-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fulcher Yan G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1274 "13C chemical shifts" 1003 "15N chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-11-09 original BMRB . stop_ _Original_release_date 2015-11-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Charge-Triggered Membrane Insertion of Matrix Metalloproteinase-7, Supporter of Innate Immunity and Tumors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26439767 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Prior Stephen H. . 2 Fulcher Yan G. . 3 Koppisetti Rama K. . 4 Jurkevich A. . . 5 'Van Doren' Steven R. . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2099 _Page_last 2110 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PRO Form of Human Matrilysin (proMMP-7)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $proMMP-7(E195A) 'CALCIUM ION_1' $entity_CA 'CALCIUM ION_2' $entity_CA 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_proMMP-7(E195A) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common proMMP-7(E195A) _Molecular_mass 27589.332 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 247 _Mol_residue_sequence ; PQEAGGMSELQWEQAQDYLK RFYLYDSETKNANSLEAKLK EMQKFFGLPITGMLNSRVIE IMQKPRCGVPDVAEYSLFPN SPKWTSKVVTYRIVSYTRDL PHITVDRLVSKALNMWGKEI PLHFRKVVWGTADIMIGFAR GAHGDSYPFDGPGNTLAHAF APGTGLGGDAHFDEDERWTD GSSLGINFLYAATHALGHSL GMGHSSDPNAVMYPTYGNGD PQNFKLSQDDIKGIQKLYGK RSNSRKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 PRO 2 2 GLN 3 3 GLU 4 4 ALA 5 5 GLY 6 6 GLY 7 7 MET 8 8 SER 9 9 GLU 10 10 LEU 11 11 GLN 12 12 TRP 13 13 GLU 14 14 GLN 15 15 ALA 16 16 GLN 17 17 ASP 18 18 TYR 19 19 LEU 20 20 LYS 21 21 ARG 22 22 PHE 23 23 TYR 24 24 LEU 25 25 TYR 26 26 ASP 27 27 SER 28 28 GLU 29 29 THR 30 30 LYS 31 31 ASN 32 32 ALA 33 33 ASN 34 34 SER 35 35 LEU 36 36 GLU 37 37 ALA 38 38 LYS 39 39 LEU 40 40 LYS 41 41 GLU 42 42 MET 43 43 GLN 44 44 LYS 45 45 PHE 46 46 PHE 47 47 GLY 48 48 LEU 49 49 PRO 50 50 ILE 51 51 THR 52 52 GLY 53 53 MET 54 54 LEU 55 55 ASN 56 56 SER 57 57 ARG 58 58 VAL 59 59 ILE 60 60 GLU 61 61 ILE 62 62 MET 63 63 GLN 64 64 LYS 65 65 PRO 66 66 ARG 67 67 CYS 68 68 GLY 69 69 VAL 70 70 PRO 71 71 ASP 72 72 VAL 73 73 ALA 74 74 GLU 75 75 TYR 76 76 SER 77 77 LEU 78 78 PHE 79 79 PRO 80 80 ASN 81 81 SER 82 82 PRO 83 83 LYS 84 84 TRP 85 85 THR 86 86 SER 87 87 LYS 88 88 VAL 89 89 VAL 90 90 THR 91 91 TYR 92 92 ARG 93 93 ILE 94 94 VAL 95 95 SER 96 96 TYR 97 97 THR 98 98 ARG 99 99 ASP 100 100 LEU 101 101 PRO 102 102 HIS 103 103 ILE 104 104 THR 105 105 VAL 106 106 ASP 107 107 ARG 108 108 LEU 109 109 VAL 110 110 SER 111 111 LYS 112 112 ALA 113 113 LEU 114 114 ASN 115 115 MET 116 116 TRP 117 117 GLY 118 118 LYS 119 119 GLU 120 120 ILE 121 121 PRO 122 122 LEU 123 123 HIS 124 124 PHE 125 125 ARG 126 126 LYS 127 127 VAL 128 128 VAL 129 129 TRP 130 130 GLY 131 131 THR 132 132 ALA 133 133 ASP 134 134 ILE 135 135 MET 136 136 ILE 137 137 GLY 138 138 PHE 139 139 ALA 140 140 ARG 141 141 GLY 142 142 ALA 143 143 HIS 144 144 GLY 145 145 ASP 146 146 SER 147 147 TYR 148 148 PRO 149 149 PHE 150 150 ASP 151 151 GLY 152 152 PRO 153 153 GLY 154 154 ASN 155 155 THR 156 156 LEU 157 157 ALA 158 158 HIS 159 159 ALA 160 160 PHE 161 161 ALA 162 162 PRO 163 163 GLY 164 164 THR 165 165 GLY 166 166 LEU 167 167 GLY 168 168 GLY 169 169 ASP 170 170 ALA 171 171 HIS 172 172 PHE 173 173 ASP 174 174 GLU 175 175 ASP 176 176 GLU 177 177 ARG 178 178 TRP 179 179 THR 180 180 ASP 181 181 GLY 182 182 SER 183 183 SER 184 184 LEU 185 185 GLY 186 186 ILE 187 187 ASN 188 188 PHE 189 189 LEU 190 190 TYR 191 191 ALA 192 192 ALA 193 193 THR 194 194 HIS 195 195 ALA 196 196 LEU 197 197 GLY 198 198 HIS 199 199 SER 200 200 LEU 201 201 GLY 202 202 MET 203 203 GLY 204 204 HIS 205 205 SER 206 206 SER 207 207 ASP 208 208 PRO 209 209 ASN 210 210 ALA 211 211 VAL 212 212 MET 213 213 TYR 214 214 PRO 215 215 THR 216 216 TYR 217 217 GLY 218 218 ASN 219 219 GLY 220 220 ASP 221 221 PRO 222 222 GLN 223 223 ASN 224 224 PHE 225 225 LYS 226 226 LEU 227 227 SER 228 228 GLN 229 229 ASP 230 230 ASP 231 231 ILE 232 232 LYS 233 233 GLY 234 234 ILE 235 235 GLN 236 236 LYS 237 237 LEU 238 238 TYR 239 239 GLY 240 240 LYS 241 241 ARG 242 242 SER 243 243 ASN 244 244 SER 245 245 ARG 246 246 LYS 247 247 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 BMRB 25488 proMMP-7(E195A) 100.00 248 100.00 100.00 0.00e+00 BMRB 25489 proMMP-7(E195A) 100.00 248 100.00 100.00 0.00e+00 PDB 1MMP "Matrilysin Complexed With Carboxylate Inhibitor" 68.83 170 99.41 99.41 2.08e-120 PDB 1MMQ "Matrilysin Complexed With Hydroxamate Inhibitor" 68.83 170 99.41 99.41 2.08e-120 PDB 1MMR "Matrilysin Complexed With Sulfodiimine Inhibitor" 68.83 170 99.41 99.41 2.08e-120 PDB 2DDY "Solution Structure Of Matrilysin (Mmp-7) Complexed To Constraint Conformational Sulfonamide Inhibitor" 70.04 173 99.42 99.42 9.27e-123 PDB 2MZE "Nmr Solution Structure Of The Pro Form Of Human Matrilysin (prommp-7)" 100.00 250 100.00 100.00 0.00e+00 PDB 2Y6C "The Discovery Of Mmp7 Inhibitors Exploiting A Novel Selectivity Trigger" 66.40 165 99.39 99.39 6.65e-116 PDB 2Y6D "The Discovery Of Mmp7 Inhibitors Exploiting A Novel Selectivity Trigger" 70.04 174 99.42 99.42 1.00e-122 DBJ BAD96700 "matrix metalloproteinase 7 preproprotein variant [Homo sapiens]" 100.00 267 98.79 98.79 0.00e+00 DBJ BAG56875 "unnamed protein product [Homo sapiens]" 59.11 192 97.26 97.26 6.73e-99 DBJ BAI46673 "matrix metallopeptidase 7 [synthetic construct]" 100.00 267 99.19 99.19 0.00e+00 EMBL CAA30678 "unnamed protein product [Homo sapiens]" 100.00 267 99.60 99.60 0.00e+00 EMBL CAA77942 "PUMP [Homo sapiens]" 100.00 267 99.60 99.60 0.00e+00 GB AAC37543 "matrilysin [Homo sapiens]" 100.00 267 99.19 99.19 0.00e+00 GB AAH03635 "Matrix metallopeptidase 7 (matrilysin, uterine) [Homo sapiens]" 100.00 267 99.19 99.19 0.00e+00 GB AAV40839 "matrix metalloproteinase 7 (matrilysin, uterine) [Homo sapiens]" 100.00 267 99.60 99.60 0.00e+00 GB AAX36381 "matrix metalloproteinase 7 [synthetic construct]" 100.00 267 99.19 99.19 0.00e+00 GB AAX36443 "matrix metalloproteinase 7 [synthetic construct]" 100.00 267 99.19 99.19 0.00e+00 REF NP_002414 "matrilysin preproprotein [Homo sapiens]" 100.00 267 99.60 99.60 0.00e+00 REF XP_002822443 "PREDICTED: matrilysin [Pongo abelii]" 100.00 267 97.17 99.19 2.50e-179 REF XP_003828431 "PREDICTED: matrilysin [Pan paniscus]" 100.00 267 98.79 99.60 0.00e+00 REF XP_004052078 "PREDICTED: matrilysin [Gorilla gorilla gorilla]" 59.11 192 97.26 97.95 3.43e-99 REF XP_508721 "PREDICTED: matrilysin [Pan troglodytes]" 100.00 267 97.98 99.19 1.13e-179 SP P09237 "RecName: Full=Matrilysin; AltName: Full=Matrin; AltName: Full=Matrix metalloproteinase-7; Short=MMP-7; AltName: Full=Pump-1 pro" 100.00 267 99.60 99.60 0.00e+00 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $proMMP-7(E195A) 'E. coli' 562 Bacteria . Escherichia coli BL21(DE3) stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $proMMP-7(E195A) 'recombinant technology' . Escherichia coli BL21(DE3) pET28-a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details Assignment/NOESY loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $proMMP-7(E195A) 0.4 mM '[U-100% 13C; U-100% 15N]' 'imidazole, pH 6.6' 20 mM 'natural abundance' CaCl2 10 mM 'natural abundance' ZnCl2 20 uM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Stereospecific assignment' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $proMMP-7(E195A) 0.4 mM '[U-10% 13C; U-100% 15N]' 'imidazole, pH 6.6' 20 mM 'natural abundance' CaCl2 10 mM 'natural abundance' ZnCl2 20 uM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Methyl NOESY' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $proMMP-7(E195A) 0.4 mM '[U-100% 15N, U-100% 13CH3 (ILV)]' 'imidazole, pH 6.6' 20 mM 'natural abundance' CaCl2 10 mM 'natural abundance' ZnCl2 20 uM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details 'Spectral processing' save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task Validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_(Hb)Cb(CgCd)Hd_11 _Saveframe_category NMR_applied_experiment _Experiment_name (Hb)Cb(CgCd)Hd _Sample_label $sample_1 save_ save_(Hb)Cb(CgCd)He_12 _Saveframe_category NMR_applied_experiment _Experiment_name (Hb)Cb(CgCd)He _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 . pH temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' (Hb)Cb(CgCd)Hd (Hb)Cb(CgCd)He stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLN HA H 4.307 0.000 1 2 2 2 GLN HB2 H 2.124 0.000 2 3 2 2 GLN HB3 H 2.124 0.000 2 4 2 2 GLN HG2 H 2.363 0.008 2 5 2 2 GLN HG3 H 2.371 0.000 2 6 2 2 GLN C C 176.492 0.000 1 7 2 2 GLN CA C 56.751 0.110 1 8 2 2 GLN CB C 28.731 0.167 1 9 2 2 GLN CG C 34.230 0.040 1 10 3 3 GLU H H 8.331 0.013 1 11 3 3 GLU HA H 3.789 0.000 1 12 3 3 GLU C C 176.278 0.016 1 13 3 3 GLU CA C 57.067 0.049 1 14 3 3 GLU CB C 29.721 0.106 1 15 3 3 GLU CG C 43.114 0.000 1 16 3 3 GLU N N 121.668 0.000 1 17 4 4 ALA H H 8.131 0.023 1 18 4 4 ALA HA H 4.510 0.000 1 19 4 4 ALA HB H 1.281 0.010 1 20 4 4 ALA C C 178.428 0.000 1 21 4 4 ALA CA C 54.671 0.021 1 22 4 4 ALA CB C 18.711 0.085 1 23 4 4 ALA N N 124.493 0.000 1 24 5 5 GLY H H 8.279 0.000 1 25 5 5 GLY HA2 H 3.988 0.000 1 26 5 5 GLY HA3 H 3.988 0.000 1 27 5 5 GLY C C 174.858 0.060 1 28 5 5 GLY CA C 47.663 0.000 1 29 5 5 GLY N N 108.204 0.000 1 30 6 6 GLY H H 8.246 0.009 1 31 6 6 GLY HA2 H 3.911 0.005 1 32 6 6 GLY HA3 H 3.911 0.005 1 33 6 6 GLY C C 174.181 0.025 1 34 6 6 GLY CA C 44.457 0.002 1 35 6 6 GLY N N 108.820 0.000 1 36 7 7 MET H H 8.005 0.038 1 37 7 7 MET HA H 4.659 0.000 1 38 7 7 MET HB2 H 1.838 0.000 2 39 7 7 MET HB3 H 1.838 0.000 2 40 7 7 MET C C 176.190 0.003 1 41 7 7 MET CA C 54.810 0.032 1 42 7 7 MET CB C 33.021 0.134 1 43 7 7 MET N N 119.938 0.000 1 44 8 8 SER H H 8.731 0.000 1 45 8 8 SER HA H 4.239 0.000 1 46 8 8 SER HB2 H 3.965 0.000 2 47 8 8 SER HB3 H 3.965 0.000 2 48 8 8 SER C C 174.949 0.035 1 49 8 8 SER CA C 58.144 0.062 1 50 8 8 SER CB C 65.424 0.054 1 51 8 8 SER N N 118.919 0.000 1 52 9 9 GLU H H 8.901 0.005 1 53 9 9 GLU HA H 4.321 0.018 1 54 9 9 GLU C C 178.607 0.009 1 55 9 9 GLU CA C 59.502 0.027 1 56 9 9 GLU CB C 29.161 0.083 1 57 9 9 GLU N N 122.442 0.000 1 58 10 10 LEU H H 8.020 0.011 1 59 10 10 LEU HB2 H 1.611 0.000 2 60 10 10 LEU HB3 H 1.611 0.000 2 61 10 10 LEU HD1 H 0.987 0.000 2 62 10 10 LEU C C 179.297 0.030 1 63 10 10 LEU CA C 57.468 0.194 1 64 10 10 LEU CB C 41.587 0.108 1 65 10 10 LEU CG C 26.725 0.000 1 66 10 10 LEU CD1 C 23.975 0.000 2 67 10 10 LEU N N 120.568 0.127 1 68 11 11 GLN H H 7.811 0.012 1 69 11 11 GLN HA H 4.134 0.000 1 70 11 11 GLN HB2 H 1.718 0.000 2 71 11 11 GLN HB3 H 1.718 0.000 2 72 11 11 GLN HG2 H 2.383 0.000 2 73 11 11 GLN HG3 H 2.383 0.000 2 74 11 11 GLN HE21 H 6.891 0.000 1 75 11 11 GLN HE22 H 7.240 0.000 1 76 11 11 GLN C C 178.329 0.003 1 77 11 11 GLN CA C 58.919 0.262 1 78 11 11 GLN CB C 27.985 0.471 1 79 11 11 GLN CG C 32.091 0.000 1 80 11 11 GLN N N 119.930 0.037 1 81 11 11 GLN NE2 N 111.760 0.000 1 82 12 12 TRP H H 8.205 0.037 1 83 12 12 TRP HA H 4.414 0.020 1 84 12 12 TRP HB2 H 3.258 0.013 2 85 12 12 TRP HB3 H 3.352 0.014 2 86 12 12 TRP HD1 H 7.198 0.001 1 87 12 12 TRP HE1 H 10.111 0.011 1 88 12 12 TRP HE3 H 7.591 0.007 1 89 12 12 TRP HZ2 H 7.562 0.006 1 90 12 12 TRP HZ3 H 6.869 0.013 1 91 12 12 TRP HH2 H 7.117 0.008 1 92 12 12 TRP C C 178.872 0.009 1 93 12 12 TRP CA C 60.514 0.063 1 94 12 12 TRP CB C 29.396 0.075 1 95 12 12 TRP CD1 C 127.323 0.003 1 96 12 12 TRP CE3 C 121.453 0.000 1 97 12 12 TRP CZ2 C 115.016 0.181 1 98 12 12 TRP CZ3 C 121.484 0.052 1 99 12 12 TRP CH2 C 124.532 0.073 1 100 12 12 TRP N N 121.031 0.005 1 101 12 12 TRP NE1 N 129.768 0.010 1 102 13 13 GLU H H 8.433 0.026 1 103 13 13 GLU C C 179.422 0.008 1 104 13 13 GLU CA C 60.065 0.109 1 105 13 13 GLU CB C 28.935 0.050 1 106 13 13 GLU N N 121.866 0.098 1 107 14 14 GLN H H 8.124 0.031 1 108 14 14 GLN HA H 4.238 0.054 1 109 14 14 GLN HB2 H 2.163 0.018 2 110 14 14 GLN HB3 H 2.164 0.017 2 111 14 14 GLN HG2 H 2.524 0.030 2 112 14 14 GLN HG3 H 2.512 0.012 2 113 14 14 GLN C C 179.214 0.017 1 114 14 14 GLN CA C 58.877 0.027 1 115 14 14 GLN CB C 27.758 0.148 1 116 14 14 GLN CG C 33.953 0.035 1 117 14 14 GLN N N 120.449 0.081 1 118 15 15 ALA H H 8.344 0.020 1 119 15 15 ALA HA H 4.390 0.011 1 120 15 15 ALA HB H 1.255 0.034 1 121 15 15 ALA C C 179.352 0.014 1 122 15 15 ALA CA C 54.919 0.043 1 123 15 15 ALA CB C 18.657 0.042 1 124 15 15 ALA N N 123.114 0.076 1 125 16 16 GLN H H 8.500 0.048 1 126 16 16 GLN HA H 3.782 0.004 1 127 16 16 GLN HB2 H 2.274 0.018 2 128 16 16 GLN HB3 H 2.274 0.018 2 129 16 16 GLN HG2 H 2.199 0.000 2 130 16 16 GLN HG3 H 2.441 0.000 2 131 16 16 GLN HE21 H 6.705 0.016 1 132 16 16 GLN HE22 H 7.584 0.000 1 133 16 16 GLN C C 177.718 0.005 1 134 16 16 GLN CA C 60.246 0.096 1 135 16 16 GLN CB C 28.512 0.152 1 136 16 16 GLN CG C 34.825 0.000 1 137 16 16 GLN N N 117.718 0.156 1 138 16 16 GLN NE2 N 112.345 0.188 1 139 17 17 ASP H H 7.871 0.026 1 140 17 17 ASP HA H 4.536 0.037 1 141 17 17 ASP HB2 H 2.853 0.025 2 142 17 17 ASP HB3 H 2.853 0.025 2 143 17 17 ASP C C 177.630 0.044 1 144 17 17 ASP CA C 57.809 0.042 1 145 17 17 ASP CB C 41.855 0.090 1 146 17 17 ASP N N 120.040 0.077 1 147 18 18 TYR H H 8.244 0.031 1 148 18 18 TYR HA H 4.190 0.007 1 149 18 18 TYR HB2 H 3.420 0.026 2 150 18 18 TYR HB3 H 3.423 0.024 2 151 18 18 TYR C C 178.439 0.030 1 152 18 18 TYR CA C 61.842 0.032 1 153 18 18 TYR CB C 39.918 0.073 1 154 18 18 TYR N N 122.465 0.130 1 155 19 19 LEU H H 8.714 0.038 1 156 19 19 LEU HA H 4.132 0.000 1 157 19 19 LEU HB2 H 1.273 0.035 2 158 19 19 LEU HB3 H 1.990 0.034 2 159 19 19 LEU HG H 1.084 0.012 1 160 19 19 LEU HD1 H 0.697 0.028 1 161 19 19 LEU HD2 H 0.539 0.043 1 162 19 19 LEU C C 180.940 0.009 1 163 19 19 LEU CA C 57.501 0.109 1 164 19 19 LEU CB C 40.552 0.063 1 165 19 19 LEU CG C 26.171 0.003 1 166 19 19 LEU CD1 C 24.589 0.045 1 167 19 19 LEU CD2 C 25.487 0.002 1 168 19 19 LEU N N 117.635 0.069 1 169 20 20 LYS H H 8.815 0.022 1 170 20 20 LYS HA H 4.084 0.009 1 171 20 20 LYS HB2 H 2.146 0.024 2 172 20 20 LYS HB3 H 2.120 0.022 2 173 20 20 LYS HG2 H 1.588 0.026 2 174 20 20 LYS HG3 H 1.523 0.002 2 175 20 20 LYS HD2 H 1.743 0.023 2 176 20 20 LYS HD3 H 1.743 0.023 2 177 20 20 LYS HE2 H 3.023 0.010 2 178 20 20 LYS HE3 H 3.023 0.010 2 179 20 20 LYS C C 178.386 0.000 1 180 20 20 LYS CA C 59.739 0.125 1 181 20 20 LYS CB C 32.430 0.147 1 182 20 20 LYS CG C 24.880 0.015 1 183 20 20 LYS CD C 29.036 0.000 1 184 20 20 LYS CE C 41.702 0.000 1 185 20 20 LYS N N 124.592 0.087 1 186 21 21 ARG H H 7.810 0.022 1 187 21 21 ARG HA H 3.719 0.025 1 188 21 21 ARG HB2 H 2.088 0.000 2 189 21 21 ARG HB3 H 2.088 0.000 2 190 21 21 ARG HG2 H 1.269 0.019 2 191 21 21 ARG HG3 H 1.269 0.018 2 192 21 21 ARG HD2 H 2.987 0.016 2 193 21 21 ARG HD3 H 2.987 0.016 2 194 21 21 ARG C C 178.499 0.021 1 195 21 21 ARG CA C 59.260 0.053 1 196 21 21 ARG CB C 29.455 0.143 1 197 21 21 ARG CG C 27.974 0.031 1 198 21 21 ARG CD C 43.689 0.043 1 199 21 21 ARG N N 117.535 0.072 1 200 22 22 PHE H H 8.005 0.036 1 201 22 22 PHE HA H 4.911 0.000 1 202 22 22 PHE HB2 H 2.697 0.035 2 203 22 22 PHE HB3 H 3.015 0.046 2 204 22 22 PHE HD1 H 7.138 0.000 1 205 22 22 PHE HD2 H 7.138 0.000 1 206 22 22 PHE HE1 H 6.363 0.014 1 207 22 22 PHE HE2 H 6.363 0.014 1 208 22 22 PHE HZ H 6.940 0.012 1 209 22 22 PHE C C 174.875 0.015 1 210 22 22 PHE CA C 57.479 0.099 1 211 22 22 PHE CB C 39.232 0.034 1 212 22 22 PHE CE1 C 126.747 0.000 1 213 22 22 PHE CE2 C 126.747 0.000 1 214 22 22 PHE N N 112.117 0.034 1 215 23 23 TYR H H 7.678 0.017 1 216 23 23 TYR HB2 H 2.980 0.021 2 217 23 23 TYR HB3 H 3.448 0.010 2 218 23 23 TYR C C 173.461 0.042 1 219 23 23 TYR CA C 58.425 0.050 1 220 23 23 TYR CB C 39.561 0.074 1 221 23 23 TYR N N 116.183 0.060 1 222 24 24 LEU H H 7.238 0.024 1 223 24 24 LEU HA H 4.150 0.016 1 224 24 24 LEU HB2 H 1.699 0.012 2 225 24 24 LEU HB3 H 1.887 0.031 2 226 24 24 LEU HG H 1.272 0.013 1 227 24 24 LEU HD1 H 0.765 0.027 1 228 24 24 LEU HD2 H 0.775 0.028 1 229 24 24 LEU C C 176.655 0.022 1 230 24 24 LEU CA C 56.155 0.105 1 231 24 24 LEU CB C 36.871 0.058 1 232 24 24 LEU CG C 27.540 0.052 1 233 24 24 LEU CD1 C 25.030 0.094 1 234 24 24 LEU CD2 C 22.830 0.079 1 235 24 24 LEU N N 115.566 0.096 1 236 25 25 TYR H H 7.845 0.023 1 237 25 25 TYR HA H 4.359 0.044 1 238 25 25 TYR HB2 H 2.325 0.018 2 239 25 25 TYR HB3 H 2.731 0.038 2 240 25 25 TYR HD1 H 6.985 0.016 1 241 25 25 TYR HD2 H 6.985 0.016 1 242 25 25 TYR HE1 H 6.739 0.008 1 243 25 25 TYR HE2 H 6.739 0.008 1 244 25 25 TYR C C 173.780 0.014 1 245 25 25 TYR CA C 58.205 0.096 1 246 25 25 TYR CB C 39.031 0.152 1 247 25 25 TYR CD1 C 132.728 0.002 1 248 25 25 TYR CD2 C 132.728 0.002 1 249 25 25 TYR CE1 C 118.371 0.001 1 250 25 25 TYR CE2 C 118.371 0.001 1 251 25 25 TYR N N 119.901 0.092 1 252 26 26 ASP H H 8.108 0.010 1 253 26 26 ASP HA H 4.451 0.030 1 254 26 26 ASP HB2 H 2.369 0.000 2 255 26 26 ASP HB3 H 2.685 0.009 2 256 26 26 ASP C C 175.282 0.000 1 257 26 26 ASP CA C 52.438 0.207 1 258 26 26 ASP CB C 41.343 0.097 1 259 26 26 ASP N N 129.338 0.013 1 260 27 27 SER HB2 H 3.725 0.002 2 261 27 27 SER HB3 H 4.075 0.003 2 262 27 27 SER C C 175.196 0.031 1 263 27 27 SER CA C 59.330 0.365 1 264 27 27 SER CB C 63.579 0.054 1 265 28 28 GLU H H 8.255 0.013 1 266 28 28 GLU HA H 4.325 0.002 1 267 28 28 GLU HB2 H 1.991 0.000 2 268 28 28 GLU HB3 H 2.186 0.027 2 269 28 28 GLU HG2 H 2.353 0.000 2 270 28 28 GLU HG3 H 2.353 0.000 2 271 28 28 GLU C C 177.073 0.001 1 272 28 28 GLU CA C 57.208 0.032 1 273 28 28 GLU CB C 29.503 0.150 1 274 28 28 GLU CG C 36.273 0.000 1 275 28 28 GLU N N 122.058 0.041 1 276 29 29 THR H H 7.498 0.016 1 277 29 29 THR HA H 4.260 0.034 1 278 29 29 THR HB H 4.217 0.018 1 279 29 29 THR HG2 H 1.237 0.023 1 280 29 29 THR C C 174.592 0.000 1 281 29 29 THR CA C 62.019 0.024 1 282 29 29 THR CB C 69.383 0.042 1 283 29 29 THR CG2 C 21.581 0.001 1 284 29 29 THR N N 114.161 0.048 1 285 30 30 LYS H H 8.218 0.000 1 286 30 30 LYS HA H 4.218 0.000 1 287 30 30 LYS HB2 H 1.352 0.000 2 288 30 30 LYS HB3 H 1.352 0.000 2 289 30 30 LYS HD2 H 1.844 0.000 2 290 30 30 LYS HD3 H 1.844 0.000 2 291 30 30 LYS N N 123.019 0.000 1 292 31 31 ASN HA H 4.424 0.000 1 293 31 31 ASN HB2 H 2.724 0.000 2 294 31 31 ASN HB3 H 2.806 0.000 2 295 31 31 ASN CB C 39.153 0.012 1 296 32 32 ALA H H 8.411 0.000 1 297 32 32 ALA HA H 4.296 0.016 1 298 32 32 ALA HB H 1.476 0.015 1 299 32 32 ALA C C 178.031 0.074 1 300 32 32 ALA CA C 53.790 0.093 1 301 32 32 ALA CB C 18.802 0.095 1 302 32 32 ALA N N 126.484 0.000 1 303 33 33 ASN H H 8.309 0.009 1 304 33 33 ASN HA H 4.698 0.000 1 305 33 33 ASN HB2 H 2.869 0.010 2 306 33 33 ASN HB3 H 2.869 0.010 2 307 33 33 ASN HD21 H 7.616 0.000 1 308 33 33 ASN C C 176.242 0.008 1 309 33 33 ASN CA C 54.135 0.275 1 310 33 33 ASN CB C 38.594 0.084 1 311 33 33 ASN N N 116.885 0.000 1 312 34 34 SER H H 8.123 0.040 1 313 34 34 SER HA H 4.544 0.010 1 314 34 34 SER HB2 H 4.167 0.012 2 315 34 34 SER HB3 H 4.209 0.035 2 316 34 34 SER C C 175.257 0.012 1 317 34 34 SER CA C 59.603 0.079 1 318 34 34 SER CB C 63.891 0.080 1 319 34 34 SER N N 116.836 0.052 1 320 35 35 LEU H H 8.313 0.021 1 321 35 35 LEU HA H 3.576 0.013 1 322 35 35 LEU HB2 H 1.624 0.056 2 323 35 35 LEU HB3 H 1.578 0.054 2 324 35 35 LEU HD1 H 0.373 0.033 2 325 35 35 LEU C C 177.974 0.002 1 326 35 35 LEU CA C 58.516 0.058 1 327 35 35 LEU CB C 40.640 0.077 1 328 35 35 LEU CD1 C 23.887 0.158 2 329 35 35 LEU N N 125.333 0.104 1 330 36 36 GLU H H 8.225 0.022 1 331 36 36 GLU HA H 3.914 0.024 1 332 36 36 GLU HB2 H 2.091 0.025 2 333 36 36 GLU HB3 H 2.168 0.015 2 334 36 36 GLU HG2 H 2.124 0.043 2 335 36 36 GLU HG3 H 2.403 0.014 2 336 36 36 GLU C C 178.131 0.065 1 337 36 36 GLU CA C 59.687 0.143 1 338 36 36 GLU CB C 29.373 0.073 1 339 36 36 GLU CG C 36.367 0.015 1 340 36 36 GLU N N 119.201 0.064 1 341 37 37 ALA H H 7.917 0.028 1 342 37 37 ALA HA H 4.079 0.011 1 343 37 37 ALA HB H 1.638 0.024 1 344 37 37 ALA C C 181.485 0.003 1 345 37 37 ALA CA C 55.440 0.039 1 346 37 37 ALA CB C 18.142 0.069 1 347 37 37 ALA N N 120.746 0.057 1 348 38 38 LYS H H 8.216 0.037 1 349 38 38 LYS HA H 4.331 0.022 1 350 38 38 LYS HB2 H 1.998 0.041 2 351 38 38 LYS HB3 H 1.995 0.038 2 352 38 38 LYS C C 177.948 0.004 1 353 38 38 LYS CA C 57.698 0.032 1 354 38 38 LYS CB C 31.776 0.032 1 355 38 38 LYS N N 119.326 0.058 1 356 39 39 LEU H H 8.666 0.017 1 357 39 39 LEU HA H 3.941 0.025 1 358 39 39 LEU HB2 H 1.509 0.026 2 359 39 39 LEU HB3 H 1.711 0.034 2 360 39 39 LEU HG H 1.265 0.057 1 361 39 39 LEU HD1 H 0.440 0.010 1 362 39 39 LEU HD2 H 0.609 0.030 1 363 39 39 LEU C C 178.818 0.001 1 364 39 39 LEU CA C 58.063 0.019 1 365 39 39 LEU CB C 40.588 0.082 1 366 39 39 LEU CG C 26.947 0.000 1 367 39 39 LEU CD1 C 24.439 0.018 1 368 39 39 LEU CD2 C 25.137 0.000 1 369 39 39 LEU N N 122.736 0.033 1 370 40 40 LYS H H 8.227 0.021 1 371 40 40 LYS HA H 4.638 0.000 1 372 40 40 LYS HB2 H 1.719 0.017 2 373 40 40 LYS HB3 H 2.100 0.034 2 374 40 40 LYS C C 179.327 0.008 1 375 40 40 LYS CA C 60.185 0.027 1 376 40 40 LYS CB C 31.897 0.049 1 377 40 40 LYS N N 118.411 0.075 1 378 41 41 GLU H H 7.718 0.026 1 379 41 41 GLU HA H 4.093 0.021 1 380 41 41 GLU HB2 H 2.433 0.006 2 381 41 41 GLU HB3 H 2.479 0.026 2 382 41 41 GLU HG2 H 2.500 0.019 2 383 41 41 GLU HG3 H 2.689 0.025 2 384 41 41 GLU C C 178.993 0.023 1 385 41 41 GLU CA C 59.827 0.100 1 386 41 41 GLU CB C 29.821 0.059 1 387 41 41 GLU CG C 36.728 0.037 1 388 41 41 GLU N N 121.329 0.042 1 389 42 42 MET H H 7.657 0.022 1 390 42 42 MET HA H 4.107 0.026 1 391 42 42 MET HB2 H 0.716 0.024 2 392 42 42 MET HB3 H 1.716 0.020 2 393 42 42 MET HG2 H 2.678 0.020 2 394 42 42 MET HG3 H 2.748 0.017 2 395 42 42 MET HE H 1.691 0.016 1 396 42 42 MET C C 177.718 0.004 1 397 42 42 MET CA C 59.895 0.158 1 398 42 42 MET CB C 30.526 0.069 1 399 42 42 MET CG C 33.301 0.055 1 400 42 42 MET CE C 19.426 0.060 1 401 42 42 MET N N 123.817 0.072 1 402 43 43 GLN H H 8.910 0.012 1 403 43 43 GLN HA H 3.805 0.010 1 404 43 43 GLN HB2 H 1.997 0.038 2 405 43 43 GLN HG2 H 2.103 0.013 2 406 43 43 GLN HG3 H 2.582 0.037 2 407 43 43 GLN HE21 H 5.834 0.038 1 408 43 43 GLN HE22 H 6.524 0.034 1 409 43 43 GLN C C 177.604 0.015 1 410 43 43 GLN CA C 59.954 0.076 1 411 43 43 GLN CB C 26.567 0.089 1 412 43 43 GLN CG C 34.652 0.005 1 413 43 43 GLN N N 119.998 0.072 1 414 43 43 GLN NE2 N 110.209 0.174 1 415 44 44 LYS H H 8.507 0.026 1 416 44 44 LYS HA H 4.055 0.009 1 417 44 44 LYS HB2 H 1.935 0.037 2 418 44 44 LYS HB3 H 2.122 0.029 2 419 44 44 LYS HG2 H 0.954 0.021 2 420 44 44 LYS HG3 H 0.954 0.021 2 421 44 44 LYS HD2 H 1.585 0.018 2 422 44 44 LYS HD3 H 1.585 0.018 2 423 44 44 LYS HE2 H 2.448 0.000 2 424 44 44 LYS HE3 H 2.448 0.000 2 425 44 44 LYS C C 179.991 0.014 1 426 44 44 LYS CA C 59.529 0.027 1 427 44 44 LYS CB C 32.321 0.060 1 428 44 44 LYS N N 119.165 0.053 1 429 45 45 PHE H H 8.445 0.038 1 430 45 45 PHE HA H 3.901 0.017 1 431 45 45 PHE HB2 H 3.380 0.017 2 432 45 45 PHE HB3 H 3.615 0.012 2 433 45 45 PHE HD1 H 6.447 0.022 1 434 45 45 PHE HD2 H 6.447 0.022 1 435 45 45 PHE HE1 H 6.723 0.012 1 436 45 45 PHE HE2 H 6.723 0.012 1 437 45 45 PHE C C 177.607 0.003 1 438 45 45 PHE CA C 63.037 0.034 1 439 45 45 PHE CB C 39.839 0.155 1 440 45 45 PHE CD1 C 131.981 0.083 1 441 45 45 PHE CD2 C 131.981 0.083 1 442 45 45 PHE CE1 C 130.083 0.030 1 443 45 45 PHE CE2 C 130.083 0.030 1 444 45 45 PHE N N 123.602 0.099 1 445 46 46 PHE H H 8.272 0.017 1 446 46 46 PHE HA H 4.597 0.015 1 447 46 46 PHE HB2 H 2.878 0.020 2 448 46 46 PHE HB3 H 3.607 0.022 2 449 46 46 PHE HD1 H 7.887 0.012 1 450 46 46 PHE HD2 H 7.887 0.012 1 451 46 46 PHE HE1 H 7.340 0.030 1 452 46 46 PHE HE2 H 7.340 0.030 1 453 46 46 PHE C C 175.283 0.008 1 454 46 46 PHE CA C 60.669 0.054 1 455 46 46 PHE CB C 39.456 0.118 1 456 46 46 PHE CD1 C 131.826 0.077 1 457 46 46 PHE CD2 C 131.826 0.077 1 458 46 46 PHE CE1 C 132.094 0.007 1 459 46 46 PHE CE2 C 132.094 0.007 1 460 46 46 PHE N N 112.715 0.064 1 461 47 47 GLY H H 7.926 0.017 1 462 47 47 GLY HA2 H 3.986 0.018 1 463 47 47 GLY HA3 H 3.986 0.018 1 464 47 47 GLY C C 174.933 0.035 1 465 47 47 GLY CA C 47.007 0.036 1 466 47 47 GLY N N 110.439 0.074 1 467 48 48 LEU H H 8.762 0.025 1 468 48 48 LEU HA H 4.924 0.000 1 469 48 48 LEU HB2 H 1.464 0.021 2 470 48 48 LEU HB3 H 1.694 0.015 2 471 48 48 LEU HG H 1.706 0.022 1 472 48 48 LEU HD1 H 0.906 0.027 2 473 48 48 LEU HD2 H 0.882 0.026 1 474 48 48 LEU C C 174.009 0.000 1 475 48 48 LEU CA C 51.826 0.137 1 476 48 48 LEU CB C 41.463 0.075 1 477 48 48 LEU CG C 25.763 0.039 1 478 48 48 LEU CD1 C 25.883 0.111 1 479 48 48 LEU CD2 C 22.128 0.129 1 480 48 48 LEU N N 121.830 0.105 1 481 49 49 PRO HA H 4.239 0.023 1 482 49 49 PRO HB2 H 1.693 0.024 2 483 49 49 PRO HB3 H 1.693 0.024 2 484 49 49 PRO HG2 H 1.865 0.005 2 485 49 49 PRO HG3 H 1.865 0.005 2 486 49 49 PRO C C 176.874 0.000 1 487 49 49 PRO CA C 63.518 0.058 1 488 49 49 PRO CB C 31.124 0.110 1 489 49 49 PRO CG C 26.870 0.007 1 490 49 49 PRO CD C 50.406 0.000 1 491 50 50 ILE H H 8.548 0.023 1 492 50 50 ILE HA H 4.101 0.026 1 493 50 50 ILE HB H 1.933 0.008 1 494 50 50 ILE HG12 H 0.985 0.019 2 495 50 50 ILE HG13 H 1.925 0.021 2 496 50 50 ILE HG2 H 1.030 0.015 1 497 50 50 ILE HD1 H 0.977 0.027 1 498 50 50 ILE C C 176.559 0.075 1 499 50 50 ILE CA C 60.939 0.038 1 500 50 50 ILE CB C 36.373 0.041 1 501 50 50 ILE CG1 C 26.874 0.125 1 502 50 50 ILE CG2 C 18.702 0.053 1 503 50 50 ILE CD1 C 13.717 0.057 1 504 50 50 ILE N N 126.859 0.073 1 505 51 51 THR H H 8.001 0.031 1 506 51 51 THR HA H 4.584 0.017 1 507 51 51 THR HB H 4.361 0.006 1 508 51 51 THR HG2 H 1.088 0.027 1 509 51 51 THR C C 176.665 0.036 1 510 51 51 THR CA C 60.966 0.016 1 511 51 51 THR CB C 71.510 0.032 1 512 51 51 THR CG2 C 20.864 0.062 1 513 51 51 THR N N 116.443 0.121 1 514 52 52 GLY H H 9.499 0.029 1 515 52 52 GLY HA2 H 3.422 0.016 1 516 52 52 GLY HA3 H 4.082 0.027 1 517 52 52 GLY C C 170.604 0.030 1 518 52 52 GLY CA C 46.760 0.095 1 519 52 52 GLY N N 112.719 0.033 1 520 53 53 MET H H 7.993 0.029 1 521 53 53 MET HA H 4.023 0.005 1 522 53 53 MET HB2 H 1.819 0.020 2 523 53 53 MET HB3 H 2.077 0.020 2 524 53 53 MET HG2 H 2.545 0.019 2 525 53 53 MET HG3 H 2.545 0.019 2 526 53 53 MET HE H 2.118 0.055 1 527 53 53 MET C C 174.693 0.006 1 528 53 53 MET CA C 53.464 0.058 1 529 53 53 MET CB C 35.361 0.125 1 530 53 53 MET CG C 31.678 0.042 1 531 53 53 MET CE C 17.496 0.000 1 532 53 53 MET N N 116.621 0.158 1 533 54 54 LEU H H 7.941 0.033 1 534 54 54 LEU HA H 3.751 0.026 1 535 54 54 LEU HB2 H 1.183 0.014 2 536 54 54 LEU HB3 H 1.728 0.008 2 537 54 54 LEU HG H 1.086 0.018 1 538 54 54 LEU HD1 H 0.274 0.023 1 539 54 54 LEU HD2 H 0.005 0.009 1 540 54 54 LEU C C 174.778 0.033 1 541 54 54 LEU CA C 55.216 0.085 1 542 54 54 LEU CB C 42.000 0.080 1 543 54 54 LEU CG C 26.038 0.038 1 544 54 54 LEU CD1 C 24.032 0.076 1 545 54 54 LEU CD2 C 23.905 0.143 1 546 54 54 LEU N N 122.679 0.000 1 547 55 55 ASN H H 6.547 0.025 1 548 55 55 ASN HA H 4.749 0.000 1 549 55 55 ASN HB2 H 3.139 0.000 2 550 55 55 ASN HB3 H 3.139 0.000 2 551 55 55 ASN HD21 H 6.497 0.000 1 552 55 55 ASN HD22 H 7.342 0.013 1 553 55 55 ASN C C 175.459 0.000 1 554 55 55 ASN CA C 51.847 0.236 1 555 55 55 ASN CB C 40.336 0.143 1 556 55 55 ASN N N 115.797 0.186 1 557 55 55 ASN ND2 N 110.004 0.037 1 558 56 56 SER H H 8.213 0.009 1 559 56 56 SER HA H 4.638 0.000 1 560 56 56 SER HB2 H 3.908 0.045 2 561 56 56 SER HB3 H 3.908 0.045 2 562 56 56 SER C C 175.727 0.000 1 563 56 56 SER CA C 57.937 0.000 1 564 56 56 SER CB C 63.862 0.007 1 565 56 56 SER N N 121.507 0.086 1 566 57 57 ARG H H 7.895 0.025 1 567 57 57 ARG HA H 4.201 0.004 1 568 57 57 ARG HB2 H 1.949 0.020 2 569 57 57 ARG HB3 H 1.945 0.015 2 570 57 57 ARG HG2 H 1.722 0.027 2 571 57 57 ARG HG3 H 1.719 0.029 2 572 57 57 ARG HD2 H 3.382 0.012 2 573 57 57 ARG HD3 H 3.239 0.000 2 574 57 57 ARG C C 178.561 0.011 1 575 57 57 ARG CA C 58.412 0.154 1 576 57 57 ARG CB C 29.047 0.139 1 577 57 57 ARG CG C 27.080 0.045 1 578 57 57 ARG CD C 42.759 0.000 1 579 57 57 ARG N N 122.951 0.182 1 580 57 57 ARG NE N 115.240 0.060 1 581 58 58 VAL H H 7.582 0.023 1 582 58 58 VAL HA H 3.331 0.017 1 583 58 58 VAL HB H 2.039 0.028 1 584 58 58 VAL HG1 H 0.848 0.032 1 585 58 58 VAL HG2 H 1.097 0.027 1 586 58 58 VAL C C 177.369 0.002 1 587 58 58 VAL CA C 66.368 0.042 1 588 58 58 VAL CB C 32.192 0.047 1 589 58 58 VAL CG1 C 22.041 0.000 1 590 58 58 VAL CG2 C 23.003 0.054 1 591 58 58 VAL N N 118.764 0.161 1 592 59 59 ILE H H 7.323 0.026 1 593 59 59 ILE HA H 3.413 0.019 1 594 59 59 ILE HB H 1.821 0.037 1 595 59 59 ILE HG12 H 1.119 0.040 2 596 59 59 ILE HG13 H 1.254 0.020 2 597 59 59 ILE HG2 H 0.760 0.033 1 598 59 59 ILE HD1 H 0.622 0.028 1 599 59 59 ILE C C 177.072 0.020 1 600 59 59 ILE CA C 63.627 0.081 1 601 59 59 ILE CB C 36.637 0.067 1 602 59 59 ILE CG1 C 27.682 0.255 1 603 59 59 ILE CG2 C 16.979 0.018 1 604 59 59 ILE CD1 C 10.998 0.172 1 605 59 59 ILE N N 119.159 0.026 1 606 60 60 GLU H H 7.879 0.028 1 607 60 60 GLU HA H 3.738 0.024 1 608 60 60 GLU HB2 H 0.605 0.031 2 609 60 60 GLU HB3 H 0.643 0.025 2 610 60 60 GLU C C 179.975 0.020 1 611 60 60 GLU CA C 59.252 0.081 1 612 60 60 GLU CB C 29.353 0.230 1 613 60 60 GLU CG C 43.684 0.000 1 614 60 60 GLU N N 119.367 0.163 1 615 61 61 ILE H H 7.247 0.052 1 616 61 61 ILE HA H 3.439 0.018 1 617 61 61 ILE HB H 1.511 0.019 1 618 61 61 ILE HG12 H 1.139 0.017 2 619 61 61 ILE HG13 H 1.355 0.009 2 620 61 61 ILE HG2 H -0.161 0.020 1 621 61 61 ILE HD1 H 0.707 0.014 1 622 61 61 ILE C C 179.033 0.000 1 623 61 61 ILE CA C 64.825 0.134 1 624 61 61 ILE CB C 36.887 0.111 1 625 61 61 ILE CG1 C 27.909 0.054 1 626 61 61 ILE CG2 C 16.105 0.049 1 627 61 61 ILE CD1 C 12.697 0.087 1 628 61 61 ILE N N 118.824 0.096 1 629 62 62 MET H H 7.835 0.034 1 630 62 62 MET HA H 3.445 0.029 1 631 62 62 MET HB2 H 1.505 0.019 2 632 62 62 MET HB3 H 1.735 0.035 2 633 62 62 MET HG2 H 0.382 0.032 2 634 62 62 MET HG3 H 2.350 0.022 2 635 62 62 MET HE H 1.724 0.017 1 636 62 62 MET C C 176.177 0.031 1 637 62 62 MET CA C 58.978 0.088 1 638 62 62 MET CB C 31.256 0.048 1 639 62 62 MET CG C 32.998 0.055 1 640 62 62 MET CE C 17.500 0.071 1 641 62 62 MET N N 119.986 0.067 1 642 63 63 GLN H H 7.454 0.022 1 643 63 63 GLN HA H 4.278 0.030 1 644 63 63 GLN HB2 H 2.043 0.032 2 645 63 63 GLN HB3 H 2.208 0.006 2 646 63 63 GLN HG2 H 2.372 0.009 2 647 63 63 GLN HG3 H 2.526 0.023 2 648 63 63 GLN HE21 H 6.648 0.000 1 649 63 63 GLN HE22 H 7.484 0.016 1 650 63 63 GLN C C 176.727 0.002 1 651 63 63 GLN CA C 56.133 0.030 1 652 63 63 GLN CB C 28.995 0.069 1 653 63 63 GLN CG C 33.950 0.072 1 654 63 63 GLN CD C 180.448 0.000 1 655 63 63 GLN N N 114.565 0.063 1 656 63 63 GLN NE2 N 110.800 0.000 1 657 64 64 LYS H H 7.483 0.019 1 658 64 64 LYS HA H 4.543 0.019 1 659 64 64 LYS HG2 H 1.900 0.018 2 660 64 64 LYS HG3 H 1.940 0.013 2 661 64 64 LYS HE2 H 2.992 0.017 2 662 64 64 LYS HE3 H 2.988 0.014 2 663 64 64 LYS C C 174.724 0.000 1 664 64 64 LYS CA C 55.434 0.027 1 665 64 64 LYS CB C 31.580 0.055 1 666 64 64 LYS CG C 24.839 0.095 1 667 64 64 LYS CD C 29.410 0.000 1 668 64 64 LYS CE C 42.082 0.000 1 669 64 64 LYS N N 121.441 0.147 1 670 65 65 PRO HA H 2.436 0.007 1 671 65 65 PRO HB2 H 1.741 0.045 2 672 65 65 PRO HB3 H 1.832 0.018 2 673 65 65 PRO HD2 H 3.808 0.033 2 674 65 65 PRO HD3 H 4.132 0.009 2 675 65 65 PRO C C 176.157 0.004 1 676 65 65 PRO CA C 62.856 0.056 1 677 65 65 PRO CB C 31.775 0.044 1 678 65 65 PRO CG C 26.653 0.000 1 679 65 65 PRO CD C 50.565 0.148 1 680 66 66 ARG H H 8.145 0.019 1 681 66 66 ARG HA H 4.408 0.012 1 682 66 66 ARG HB2 H 1.608 0.037 2 683 66 66 ARG HB3 H 1.627 0.036 2 684 66 66 ARG HE H 6.321 0.004 1 685 66 66 ARG C C 174.476 0.009 1 686 66 66 ARG CA C 54.642 0.024 1 687 66 66 ARG CB C 34.225 0.171 1 688 66 66 ARG CG C 29.037 0.000 1 689 66 66 ARG CD C 41.979 0.000 1 690 66 66 ARG N N 112.692 0.210 1 691 66 66 ARG NE N 112.306 0.022 1 692 67 67 CYS H H 7.754 0.029 1 693 67 67 CYS HA H 4.440 0.032 1 694 67 67 CYS HB2 H 2.838 0.042 2 695 67 67 CYS HB3 H 2.849 0.042 2 696 67 67 CYS C C 175.657 0.010 1 697 67 67 CYS CA C 59.116 0.069 1 698 67 67 CYS CB C 30.176 0.161 1 699 67 67 CYS N N 121.732 0.015 1 700 68 68 GLY H H 9.704 0.021 1 701 68 68 GLY HA2 H 4.377 0.011 1 702 68 68 GLY HA3 H 4.377 0.011 1 703 68 68 GLY C C 172.213 0.018 1 704 68 68 GLY CA C 46.566 0.025 1 705 68 68 GLY N N 116.217 0.063 1 706 69 69 VAL H H 9.112 0.022 1 707 69 69 VAL HA H 3.831 0.041 1 708 69 69 VAL HB H 1.776 0.020 1 709 69 69 VAL HG1 H 0.681 0.029 1 710 69 69 VAL HG2 H 0.327 0.029 1 711 69 69 VAL C C 173.538 0.000 1 712 69 69 VAL CA C 61.381 0.037 1 713 69 69 VAL CB C 32.489 0.081 1 714 69 69 VAL CG1 C 19.882 0.062 1 715 69 69 VAL CG2 C 22.403 0.095 1 716 69 69 VAL N N 126.358 0.135 1 717 70 70 PRO HA H 4.950 0.000 1 718 70 70 PRO HB2 H 1.753 0.033 2 719 70 70 PRO HB3 H 2.187 0.057 2 720 70 70 PRO HG2 H 1.974 0.026 2 721 70 70 PRO HG3 H 2.155 0.024 2 722 70 70 PRO HD2 H 3.426 0.021 2 723 70 70 PRO HD3 H 3.916 0.028 2 724 70 70 PRO C C 175.019 0.000 1 725 70 70 PRO CA C 63.300 0.190 1 726 70 70 PRO CB C 32.406 0.040 1 727 70 70 PRO CG C 27.326 0.155 1 728 70 70 PRO CD C 51.587 0.050 1 729 71 71 ASP H H 8.053 0.018 1 730 71 71 ASP HA H 4.433 0.008 1 731 71 71 ASP HB2 H 3.151 0.000 2 732 71 71 ASP HB3 H 3.161 0.000 2 733 71 71 ASP C C 175.157 0.029 1 734 71 71 ASP CA C 55.333 0.052 1 735 71 71 ASP CB C 39.786 0.129 1 736 71 71 ASP N N 118.989 0.063 1 737 72 72 VAL H H 6.430 0.024 1 738 72 72 VAL HA H 4.296 0.023 1 739 72 72 VAL HB H 2.062 0.021 1 740 72 72 VAL HG1 H 0.940 0.027 1 741 72 72 VAL HG2 H 0.748 0.024 1 742 72 72 VAL C C 174.328 0.008 1 743 72 72 VAL CA C 59.643 0.054 1 744 72 72 VAL CB C 33.847 0.108 1 745 72 72 VAL CG1 C 21.716 0.041 1 746 72 72 VAL CG2 C 19.234 0.130 1 747 72 72 VAL N N 112.951 0.075 1 748 73 73 ALA H H 8.177 0.034 1 749 73 73 ALA HA H 4.307 0.029 1 750 73 73 ALA HB H 1.325 0.027 1 751 73 73 ALA C C 177.382 0.007 1 752 73 73 ALA CA C 52.046 0.044 1 753 73 73 ALA CB C 19.909 0.049 1 754 73 73 ALA N N 125.864 0.068 1 755 74 74 GLU H H 8.380 0.024 1 756 74 74 GLU HA H 4.103 0.026 1 757 74 74 GLU HB2 H 1.895 0.028 2 758 74 74 GLU HB3 H 1.924 0.036 2 759 74 74 GLU HG2 H 2.186 0.031 2 760 74 74 GLU HG3 H 2.147 0.018 2 761 74 74 GLU C C 176.243 0.010 1 762 74 74 GLU CA C 56.763 0.042 1 763 74 74 GLU CB C 29.803 0.071 1 764 74 74 GLU CG C 36.230 0.078 1 765 74 74 GLU N N 120.726 0.021 1 766 75 75 TYR H H 8.065 0.007 1 767 75 75 TYR HA H 4.445 0.025 1 768 75 75 TYR HB2 H 2.979 0.021 2 769 75 75 TYR HB3 H 2.975 0.020 2 770 75 75 TYR HD1 H 7.037 0.017 1 771 75 75 TYR HD2 H 7.037 0.017 1 772 75 75 TYR HE1 H 6.778 0.006 1 773 75 75 TYR HE2 H 6.778 0.006 1 774 75 75 TYR C C 175.625 0.046 1 775 75 75 TYR CA C 58.342 0.176 1 776 75 75 TYR CB C 38.406 0.068 1 777 75 75 TYR CD1 C 132.942 0.097 1 778 75 75 TYR CD2 C 132.942 0.097 1 779 75 75 TYR CE1 C 118.478 0.184 1 780 75 75 TYR CE2 C 118.478 0.184 1 781 75 75 TYR N N 121.475 0.047 1 782 76 76 SER H H 7.748 0.000 1 783 76 76 SER HA H 3.886 0.000 1 784 76 76 SER HB2 H 3.692 0.000 2 785 76 76 SER HB3 H 3.739 0.047 2 786 76 76 SER C C 173.854 0.033 1 787 76 76 SER CA C 58.253 0.187 1 788 76 76 SER CB C 64.072 0.233 1 789 76 76 SER N N 117.860 0.000 1 790 77 77 LEU H H 7.978 0.018 1 791 77 77 LEU HA H 4.146 0.003 1 792 77 77 LEU HB2 H 1.329 0.029 2 793 77 77 LEU HB3 H 1.401 0.028 2 794 77 77 LEU HG H 1.396 0.023 1 795 77 77 LEU HD1 H 0.820 0.015 1 796 77 77 LEU HD2 H 0.815 0.029 1 797 77 77 LEU C C 176.451 0.000 1 798 77 77 LEU CA C 55.501 0.082 1 799 77 77 LEU CB C 41.928 0.090 1 800 77 77 LEU CG C 26.739 0.005 1 801 77 77 LEU CD1 C 24.626 0.061 1 802 77 77 LEU CD2 C 23.457 0.000 1 803 77 77 LEU N N 123.745 0.184 1 804 78 78 PHE H H 7.826 0.018 1 805 78 78 PHE HA H 4.876 0.030 1 806 78 78 PHE HB2 H 2.913 0.017 2 807 78 78 PHE HB3 H 3.156 0.013 2 808 78 78 PHE HD1 H 7.266 0.019 1 809 78 78 PHE HD2 H 7.266 0.019 1 810 78 78 PHE HE1 H 7.409 0.009 1 811 78 78 PHE HE2 H 7.409 0.009 1 812 78 78 PHE C C 173.844 0.000 1 813 78 78 PHE CA C 55.366 0.036 1 814 78 78 PHE CB C 39.178 0.067 1 815 78 78 PHE CD1 C 132.275 0.061 1 816 78 78 PHE CD2 C 132.275 0.061 1 817 78 78 PHE CE1 C 132.079 0.001 1 818 78 78 PHE CE2 C 132.079 0.001 1 819 78 78 PHE N N 119.275 0.002 1 820 79 79 PRO HA H 4.357 0.018 1 821 79 79 PRO HB2 H 1.913 0.014 2 822 79 79 PRO HB3 H 2.222 0.010 2 823 79 79 PRO HG2 H 1.869 0.024 2 824 79 79 PRO HG3 H 1.869 0.024 2 825 79 79 PRO HD2 H 3.611 0.020 2 826 79 79 PRO HD3 H 3.611 0.020 2 827 79 79 PRO C C 176.434 0.005 1 828 79 79 PRO CA C 63.764 0.166 1 829 79 79 PRO CB C 31.664 0.089 1 830 79 79 PRO CG C 27.082 0.118 1 831 79 79 PRO CD C 50.677 0.036 1 832 80 80 ASN H H 8.067 0.009 1 833 80 80 ASN HA H 4.647 0.000 1 834 80 80 ASN HB2 H 2.737 0.038 2 835 80 80 ASN HB3 H 2.711 0.012 2 836 80 80 ASN HD21 H 6.784 0.000 1 837 80 80 ASN HD22 H 7.450 0.000 1 838 80 80 ASN C C 174.305 0.000 1 839 80 80 ASN CA C 52.803 0.149 1 840 80 80 ASN CB C 39.511 0.064 1 841 80 80 ASN CG C 177.070 0.000 1 842 80 80 ASN N N 118.020 0.027 1 843 80 80 ASN ND2 N 113.171 0.039 1 844 81 81 SER HA H 4.565 0.028 1 845 81 81 SER HB2 H 3.675 0.003 2 846 81 81 SER HB3 H 3.814 0.007 2 847 81 81 SER CA C 56.800 0.019 1 848 81 81 SER CB C 63.128 0.092 1 849 82 82 PRO HA H 4.454 0.039 1 850 82 82 PRO HB2 H 2.109 0.037 2 851 82 82 PRO HB3 H 2.281 0.003 2 852 82 82 PRO HG2 H 1.973 0.010 2 853 82 82 PRO HG3 H 1.973 0.010 2 854 82 82 PRO HD2 H 3.531 0.009 2 855 82 82 PRO HD3 H 3.733 0.016 2 856 82 82 PRO C C 174.586 0.010 1 857 82 82 PRO CA C 63.591 0.100 1 858 82 82 PRO CB C 31.256 0.097 1 859 82 82 PRO CG C 27.460 0.160 1 860 82 82 PRO CD C 49.374 0.103 1 861 83 83 LYS H H 7.355 0.024 1 862 83 83 LYS HA H 4.153 0.028 1 863 83 83 LYS HB2 H 1.539 0.027 2 864 83 83 LYS HB3 H 1.570 0.020 2 865 83 83 LYS HG2 H 0.926 0.027 2 866 83 83 LYS HG3 H 1.186 0.006 2 867 83 83 LYS HD2 H 1.320 0.026 2 868 83 83 LYS HD3 H 1.390 0.020 2 869 83 83 LYS HE2 H 2.843 0.018 2 870 83 83 LYS HE3 H 2.845 0.017 2 871 83 83 LYS C C 175.308 0.000 1 872 83 83 LYS CA C 54.361 0.069 1 873 83 83 LYS CB C 34.409 0.119 1 874 83 83 LYS CG C 22.083 0.067 1 875 83 83 LYS CD C 29.168 0.082 1 876 83 83 LYS CE C 41.928 0.077 1 877 83 83 LYS N N 114.597 0.041 1 878 84 84 TRP H H 8.050 0.028 1 879 84 84 TRP HA H 4.020 0.060 1 880 84 84 TRP HB2 H 3.113 0.009 2 881 84 84 TRP HB3 H 3.559 0.013 2 882 84 84 TRP HD1 H 7.358 0.024 1 883 84 84 TRP HE1 H 10.176 0.019 1 884 84 84 TRP HZ2 H 7.573 0.015 1 885 84 84 TRP C C 177.636 0.000 1 886 84 84 TRP CA C 57.431 0.162 1 887 84 84 TRP CB C 30.323 0.125 1 888 84 84 TRP CD1 C 127.169 0.093 1 889 84 84 TRP CZ2 C 114.102 0.008 1 890 84 84 TRP N N 122.453 0.014 1 891 84 84 TRP NE1 N 128.083 0.028 1 892 85 85 THR H H 8.854 0.015 1 893 85 85 THR HA H 4.573 0.010 1 894 85 85 THR HB H 4.576 0.011 1 895 85 85 THR HG2 H 1.259 0.021 1 896 85 85 THR C C 174.757 0.000 1 897 85 85 THR CA C 62.121 0.022 1 898 85 85 THR CB C 69.082 0.051 1 899 85 85 THR CG2 C 21.658 0.008 1 900 85 85 THR N N 113.647 0.000 1 901 86 86 SER H H 7.742 0.023 1 902 86 86 SER HA H 4.741 0.012 1 903 86 86 SER HB2 H 3.983 0.011 2 904 86 86 SER HB3 H 4.128 0.013 2 905 86 86 SER C C 173.457 0.000 1 906 86 86 SER CA C 56.747 0.168 1 907 86 86 SER CB C 64.729 0.049 1 908 86 86 SER N N 117.261 0.080 1 909 87 87 LYS H H 8.286 0.006 1 910 87 87 LYS HA H 4.229 0.000 1 911 87 87 LYS HB2 H 1.955 0.011 2 912 87 87 LYS HB3 H 1.955 0.011 2 913 87 87 LYS HG2 H 1.648 0.000 2 914 87 87 LYS HG3 H 1.648 0.000 2 915 87 87 LYS CA C 57.619 0.041 1 916 87 87 LYS CB C 32.165 0.160 1 917 87 87 LYS CG C 24.873 0.000 1 918 87 87 LYS CD C 28.697 0.000 1 919 87 87 LYS CE C 42.590 0.000 1 920 87 87 LYS N N 120.329 0.000 1 921 88 88 VAL H H 7.428 0.030 1 922 88 88 VAL HA H 4.655 0.000 1 923 88 88 VAL HB H 1.820 0.023 1 924 88 88 VAL HG1 H 0.723 0.042 1 925 88 88 VAL HG2 H 0.731 0.044 1 926 88 88 VAL C C 174.865 0.008 1 927 88 88 VAL CA C 60.091 0.135 1 928 88 88 VAL CB C 33.696 0.148 1 929 88 88 VAL CG1 C 20.819 0.031 1 930 88 88 VAL CG2 C 20.792 0.056 1 931 88 88 VAL N N 117.532 0.031 1 932 89 89 VAL H H 8.603 0.027 1 933 89 89 VAL HA H 4.159 0.023 1 934 89 89 VAL HB H 1.630 0.011 1 935 89 89 VAL HG1 H 0.217 0.027 1 936 89 89 VAL HG2 H 0.394 0.029 1 937 89 89 VAL C C 175.757 0.004 1 938 89 89 VAL CA C 60.735 0.038 1 939 89 89 VAL CB C 34.149 0.064 1 940 89 89 VAL CG1 C 20.025 0.058 1 941 89 89 VAL CG2 C 21.600 0.059 1 942 89 89 VAL N N 131.452 0.104 1 943 90 90 THR H H 9.021 0.027 1 944 90 90 THR HA H 5.649 0.026 1 945 90 90 THR HB H 4.241 0.027 1 946 90 90 THR HG2 H 1.172 0.029 1 947 90 90 THR C C 174.579 0.003 1 948 90 90 THR CA C 58.949 0.039 1 949 90 90 THR CB C 72.265 0.060 1 950 90 90 THR CG2 C 21.706 0.020 1 951 90 90 THR N N 118.206 0.060 1 952 91 91 TYR H H 8.556 0.028 1 953 91 91 TYR HA H 5.699 0.031 1 954 91 91 TYR HB2 H 2.635 0.033 2 955 91 91 TYR HB3 H 2.896 0.019 2 956 91 91 TYR HD1 H 6.658 0.030 1 957 91 91 TYR HD2 H 6.658 0.030 1 958 91 91 TYR HE1 H 6.556 0.031 1 959 91 91 TYR HE2 H 6.556 0.031 1 960 91 91 TYR C C 171.233 0.002 1 961 91 91 TYR CA C 55.424 0.057 1 962 91 91 TYR CB C 42.282 0.056 1 963 91 91 TYR CD1 C 132.534 0.000 1 964 91 91 TYR CD2 C 132.534 0.000 1 965 91 91 TYR CE1 C 117.490 0.007 1 966 91 91 TYR CE2 C 117.490 0.007 1 967 91 91 TYR N N 118.121 0.015 1 968 92 92 ARG H H 8.520 0.026 1 969 92 92 ARG HA H 4.697 0.030 1 970 92 92 ARG HB2 H 1.770 0.021 2 971 92 92 ARG HB3 H 1.766 0.012 2 972 92 92 ARG HG2 H 0.994 0.026 2 973 92 92 ARG HG3 H 0.994 0.026 2 974 92 92 ARG HD2 H 2.649 0.012 2 975 92 92 ARG HD3 H 2.862 0.013 2 976 92 92 ARG HE H 7.013 0.008 1 977 92 92 ARG C C 173.932 0.007 1 978 92 92 ARG CA C 54.838 0.155 1 979 92 92 ARG CB C 34.641 0.082 1 980 92 92 ARG CG C 28.255 0.000 1 981 92 92 ARG CD C 44.500 0.106 1 982 92 92 ARG N N 120.252 0.052 1 983 92 92 ARG NE N 114.038 0.079 1 984 93 93 ILE H H 8.885 0.028 1 985 93 93 ILE HA H 4.632 0.055 1 986 93 93 ILE HB H 1.798 0.026 1 987 93 93 ILE HG12 H 0.938 0.019 2 988 93 93 ILE HG13 H 0.938 0.019 2 989 93 93 ILE HG2 H 0.144 0.018 1 990 93 93 ILE HD1 H 1.150 0.022 1 991 93 93 ILE C C 175.466 0.011 1 992 93 93 ILE CA C 61.228 0.125 1 993 93 93 ILE CB C 37.199 0.058 1 994 93 93 ILE CG1 C 28.711 0.037 1 995 93 93 ILE CG2 C 18.179 0.067 1 996 93 93 ILE CD1 C 15.022 0.128 1 997 93 93 ILE N N 128.315 0.107 1 998 94 94 VAL H H 9.517 0.034 1 999 94 94 VAL HA H 3.996 0.019 1 1000 94 94 VAL HB H 2.186 0.026 1 1001 94 94 VAL HG1 H 1.022 0.032 1 1002 94 94 VAL HG2 H 1.022 0.029 1 1003 94 94 VAL C C 175.670 0.046 1 1004 94 94 VAL CA C 63.447 0.061 1 1005 94 94 VAL CB C 32.990 0.045 1 1006 94 94 VAL CG1 C 21.518 0.086 1 1007 94 94 VAL CG2 C 21.461 0.000 1 1008 94 94 VAL N N 126.647 0.119 1 1009 95 95 SER H H 7.463 0.026 1 1010 95 95 SER HA H 4.701 0.000 1 1011 95 95 SER HB2 H 4.111 0.026 2 1012 95 95 SER HB3 H 4.242 0.004 2 1013 95 95 SER C C 170.683 0.002 1 1014 95 95 SER CA C 56.918 0.160 1 1015 95 95 SER CB C 65.259 0.060 1 1016 95 95 SER N N 113.398 0.043 1 1017 96 96 TYR H H 8.239 0.030 1 1018 96 96 TYR HA H 4.261 0.010 1 1019 96 96 TYR HB2 H 2.166 0.036 2 1020 96 96 TYR HB3 H 2.978 0.045 2 1021 96 96 TYR C C 174.856 0.000 1 1022 96 96 TYR CA C 58.632 0.042 1 1023 96 96 TYR CB C 41.149 0.074 1 1024 96 96 TYR N N 116.527 0.046 1 1025 97 97 THR H H 5.206 0.013 1 1026 97 97 THR HB H 2.603 0.015 1 1027 97 97 THR HG2 H 0.328 0.024 1 1028 97 97 THR C C 174.064 0.000 1 1029 97 97 THR CA C 57.797 0.078 1 1030 97 97 THR CB C 67.541 0.147 1 1031 97 97 THR CG2 C 19.511 0.037 1 1032 97 97 THR N N 112.717 0.086 1 1033 98 98 ARG H H 8.918 0.026 1 1034 98 98 ARG HA H 4.326 0.013 1 1035 98 98 ARG HB2 H 1.837 0.000 2 1036 98 98 ARG HB3 H 1.837 0.000 2 1037 98 98 ARG HG2 H 1.730 0.020 2 1038 98 98 ARG HG3 H 1.721 0.007 2 1039 98 98 ARG HD2 H 3.138 0.000 2 1040 98 98 ARG HD3 H 3.138 0.000 2 1041 98 98 ARG C C 177.623 0.012 1 1042 98 98 ARG CA C 57.405 0.176 1 1043 98 98 ARG CB C 29.485 0.128 1 1044 98 98 ARG CG C 27.117 0.001 1 1045 98 98 ARG CD C 43.156 0.000 1 1046 98 98 ARG N N 128.156 0.083 1 1047 99 99 ASP H H 8.708 0.026 1 1048 99 99 ASP HA H 4.381 0.026 1 1049 99 99 ASP HB2 H 2.646 0.027 2 1050 99 99 ASP HB3 H 3.201 0.002 2 1051 99 99 ASP C C 175.675 0.014 1 1052 99 99 ASP CA C 56.432 0.022 1 1053 99 99 ASP CB C 42.383 0.088 1 1054 99 99 ASP N N 120.592 0.099 1 1055 100 100 LEU H H 6.916 0.021 1 1056 100 100 LEU HA H 4.956 0.017 1 1057 100 100 LEU HB2 H 1.074 0.032 2 1058 100 100 LEU HB3 H 1.136 0.024 2 1059 100 100 LEU HG H 1.372 0.037 1 1060 100 100 LEU HD1 H 0.415 0.028 1 1061 100 100 LEU HD2 H 0.990 0.042 1 1062 100 100 LEU C C 173.335 0.000 1 1063 100 100 LEU CA C 51.036 0.121 1 1064 100 100 LEU CB C 46.274 0.075 1 1065 100 100 LEU CG C 24.483 0.000 1 1066 100 100 LEU CD1 C 25.020 0.054 1 1067 100 100 LEU CD2 C 24.230 0.063 1 1068 100 100 LEU N N 116.828 0.053 1 1069 101 101 PRO HB2 H 2.416 0.000 2 1070 101 101 PRO HG2 H 1.841 0.009 2 1071 101 101 PRO HD2 H 3.435 0.019 2 1072 102 102 HIS HA H 4.177 0.014 1 1073 102 102 HIS HB2 H 2.447 0.013 2 1074 102 102 HIS HB3 H 2.729 0.030 2 1075 102 102 HIS HD2 H 6.780 0.016 1 1076 102 102 HIS C C 177.649 0.000 1 1077 102 102 HIS CA C 58.733 0.115 1 1078 102 102 HIS CB C 28.439 0.084 1 1079 102 102 HIS CD2 C 118.146 0.005 1 1080 103 103 ILE H H 8.233 0.034 1 1081 103 103 ILE HA H 4.173 0.022 1 1082 103 103 ILE HB H 1.883 0.025 1 1083 103 103 ILE HG12 H 1.267 0.022 2 1084 103 103 ILE HG13 H 1.272 0.014 2 1085 103 103 ILE HG2 H 0.976 0.019 1 1086 103 103 ILE HD1 H 0.956 0.024 1 1087 103 103 ILE C C 177.214 0.013 1 1088 103 103 ILE CA C 63.179 0.096 1 1089 103 103 ILE CB C 37.745 0.059 1 1090 103 103 ILE CG1 C 28.255 0.143 1 1091 103 103 ILE CG2 C 17.542 0.097 1 1092 103 103 ILE CD1 C 13.673 0.115 1 1093 103 103 ILE N N 115.164 0.068 1 1094 104 104 THR H H 6.947 0.021 1 1095 104 104 THR HA H 4.045 0.031 1 1096 104 104 THR HB H 4.280 0.028 1 1097 104 104 THR HG2 H 1.372 0.024 1 1098 104 104 THR C C 175.616 0.013 1 1099 104 104 THR CA C 66.565 0.044 1 1100 104 104 THR CB C 68.080 0.060 1 1101 104 104 THR CG2 C 22.598 0.068 1 1102 104 104 THR N N 119.374 0.075 1 1103 105 105 VAL H H 7.404 0.028 1 1104 105 105 VAL HA H 3.437 0.020 1 1105 105 105 VAL HB H 2.425 0.022 1 1106 105 105 VAL HG1 H 0.841 0.030 1 1107 105 105 VAL HG2 H 0.587 0.029 1 1108 105 105 VAL C C 177.324 0.005 1 1109 105 105 VAL CA C 67.937 0.144 1 1110 105 105 VAL CB C 31.223 0.082 1 1111 105 105 VAL CG1 C 21.038 0.105 1 1112 105 105 VAL CG2 C 24.256 0.040 1 1113 105 105 VAL N N 123.263 0.040 1 1114 106 106 ASP H H 8.628 0.022 1 1115 106 106 ASP HA H 4.327 0.010 1 1116 106 106 ASP HB2 H 2.662 0.035 2 1117 106 106 ASP HB3 H 2.989 0.020 2 1118 106 106 ASP C C 179.745 0.008 1 1119 106 106 ASP CA C 58.233 0.067 1 1120 106 106 ASP CB C 40.369 0.039 1 1121 106 106 ASP N N 119.972 0.038 1 1122 107 107 ARG H H 8.356 0.030 1 1123 107 107 ARG HA H 4.178 0.016 1 1124 107 107 ARG HB2 H 2.016 0.016 2 1125 107 107 ARG HB3 H 2.083 0.024 2 1126 107 107 ARG HG2 H 1.728 0.012 2 1127 107 107 ARG HG3 H 2.040 0.030 2 1128 107 107 ARG HD2 H 3.349 0.028 2 1129 107 107 ARG HD3 H 3.349 0.028 2 1130 107 107 ARG HE H 7.715 0.002 1 1131 107 107 ARG C C 179.489 0.015 1 1132 107 107 ARG CA C 59.544 0.104 1 1133 107 107 ARG CB C 30.200 0.088 1 1134 107 107 ARG CG C 27.718 0.127 1 1135 107 107 ARG CD C 43.572 0.037 1 1136 107 107 ARG N N 121.033 0.042 1 1137 107 107 ARG NE N 116.853 0.057 1 1138 108 108 LEU H H 8.790 0.035 1 1139 108 108 LEU HA H 4.305 0.036 1 1140 108 108 LEU HB2 H 1.408 0.009 2 1141 108 108 LEU HB3 H 2.238 0.018 2 1142 108 108 LEU HG H 2.372 0.014 1 1143 108 108 LEU HD1 H 1.132 0.022 1 1144 108 108 LEU HD2 H 1.104 0.022 1 1145 108 108 LEU C C 178.856 0.020 1 1146 108 108 LEU CA C 57.917 0.147 1 1147 108 108 LEU CB C 41.313 0.096 1 1148 108 108 LEU CG C 26.988 0.036 1 1149 108 108 LEU CD1 C 26.320 0.075 1 1150 108 108 LEU CD2 C 22.375 0.118 1 1151 108 108 LEU N N 121.466 0.053 1 1152 109 109 VAL H H 8.787 0.030 1 1153 109 109 VAL HA H 3.400 0.027 1 1154 109 109 VAL HB H 2.269 0.023 1 1155 109 109 VAL HG1 H 0.628 0.026 1 1156 109 109 VAL HG2 H 1.132 0.025 1 1157 109 109 VAL C C 177.018 0.002 1 1158 109 109 VAL CA C 67.963 0.172 1 1159 109 109 VAL CB C 31.120 0.107 1 1160 109 109 VAL CG1 C 22.341 0.082 1 1161 109 109 VAL CG2 C 24.087 0.085 1 1162 109 109 VAL N N 120.233 0.058 1 1163 110 110 SER H H 7.605 0.021 1 1164 110 110 SER HA H 4.300 0.000 1 1165 110 110 SER HB2 H 4.067 0.024 2 1166 110 110 SER HB3 H 4.067 0.025 2 1167 110 110 SER C C 176.811 0.163 1 1168 110 110 SER CA C 61.779 0.208 1 1169 110 110 SER CB C 62.751 0.088 1 1170 110 110 SER N N 112.862 0.070 1 1171 111 111 LYS H H 8.156 0.036 1 1172 111 111 LYS HA H 4.061 0.022 1 1173 111 111 LYS HB2 H 1.972 0.022 2 1174 111 111 LYS HB3 H 1.973 0.022 2 1175 111 111 LYS HG2 H 1.663 0.037 2 1176 111 111 LYS HG3 H 1.663 0.037 2 1177 111 111 LYS HD2 H 2.241 0.007 2 1178 111 111 LYS HD3 H 2.241 0.007 2 1179 111 111 LYS HE2 H 3.002 0.010 2 1180 111 111 LYS HE3 H 3.002 0.010 2 1181 111 111 LYS C C 178.312 0.011 1 1182 111 111 LYS CA C 59.756 0.127 1 1183 111 111 LYS CB C 32.472 0.097 1 1184 111 111 LYS CG C 25.245 0.171 1 1185 111 111 LYS CD C 29.051 0.000 1 1186 111 111 LYS CE C 41.886 0.063 1 1187 111 111 LYS N N 122.319 0.101 1 1188 112 112 ALA H H 8.278 0.030 1 1189 112 112 ALA HA H 4.099 0.040 1 1190 112 112 ALA HB H 1.338 0.026 1 1191 112 112 ALA C C 179.446 0.005 1 1192 112 112 ALA CA C 55.210 0.095 1 1193 112 112 ALA CB C 19.974 0.051 1 1194 112 112 ALA N N 124.147 0.106 1 1195 113 113 LEU H H 8.021 0.029 1 1196 113 113 LEU HA H 3.751 0.017 1 1197 113 113 LEU HB2 H 0.596 0.022 2 1198 113 113 LEU HB3 H 1.346 0.022 2 1199 113 113 LEU HG H 0.666 0.035 1 1200 113 113 LEU HD1 H -0.392 0.019 1 1201 113 113 LEU HD2 H -0.176 0.025 1 1202 113 113 LEU C C 179.537 0.017 1 1203 113 113 LEU CA C 57.723 0.037 1 1204 113 113 LEU CB C 40.567 0.098 1 1205 113 113 LEU CG C 22.495 0.117 1 1206 113 113 LEU CD1 C 24.472 0.122 1 1207 113 113 LEU CD2 C 22.014 0.053 1 1208 113 113 LEU N N 116.195 0.081 1 1209 114 114 ASN H H 8.212 0.025 1 1210 114 114 ASN HA H 4.546 0.032 1 1211 114 114 ASN HB2 H 2.827 0.023 2 1212 114 114 ASN HB3 H 2.832 0.025 2 1213 114 114 ASN HD21 H 6.838 0.000 1 1214 114 114 ASN HD22 H 7.508 0.000 1 1215 114 114 ASN C C 177.134 0.010 1 1216 114 114 ASN CA C 55.748 0.246 1 1217 114 114 ASN CB C 38.637 0.095 1 1218 114 114 ASN N N 116.570 0.060 1 1219 114 114 ASN ND2 N 113.960 0.000 1 1220 115 115 MET H H 7.937 0.031 1 1221 115 115 MET HA H 4.010 0.028 1 1222 115 115 MET HB2 H 1.612 0.018 2 1223 115 115 MET HB3 H 2.221 0.023 2 1224 115 115 MET HE H 1.715 0.034 1 1225 115 115 MET C C 177.682 0.033 1 1226 115 115 MET CA C 59.408 0.082 1 1227 115 115 MET CB C 31.566 0.100 1 1228 115 115 MET CE C 16.614 0.019 1 1229 115 115 MET N N 122.055 0.067 1 1230 116 116 TRP H H 6.783 0.029 1 1231 116 116 TRP HA H 4.518 0.015 1 1232 116 116 TRP HB2 H 3.104 0.029 2 1233 116 116 TRP HB3 H 3.107 0.029 2 1234 116 116 TRP HD1 H 7.065 0.013 1 1235 116 116 TRP HE1 H 10.290 0.021 1 1236 116 116 TRP HE3 H 7.474 0.015 1 1237 116 116 TRP HZ2 H 7.230 0.026 1 1238 116 116 TRP HZ3 H 7.134 0.019 1 1239 116 116 TRP HH2 H 6.944 0.011 1 1240 116 116 TRP C C 179.054 0.012 1 1241 116 116 TRP CA C 59.502 0.075 1 1242 116 116 TRP CB C 30.910 0.048 1 1243 116 116 TRP CD1 C 126.862 0.021 1 1244 116 116 TRP CE3 C 120.269 0.031 1 1245 116 116 TRP CZ2 C 114.878 0.005 1 1246 116 116 TRP CZ3 C 121.487 0.091 1 1247 116 116 TRP CH2 C 123.580 0.000 1 1248 116 116 TRP N N 117.115 0.017 1 1249 116 116 TRP NE1 N 129.374 0.066 1 1250 117 117 GLY H H 9.302 0.021 1 1251 117 117 GLY HA2 H 3.886 0.027 1 1252 117 117 GLY HA3 H 4.247 0.016 1 1253 117 117 GLY C C 175.035 0.013 1 1254 117 117 GLY CA C 46.966 0.056 1 1255 117 117 GLY N N 104.511 0.032 1 1256 118 118 LYS H H 7.940 0.028 1 1257 118 118 LYS HA H 4.207 0.023 1 1258 118 118 LYS HB2 H 1.829 0.028 2 1259 118 118 LYS HB3 H 2.039 0.021 2 1260 118 118 LYS HG2 H 1.403 0.038 2 1261 118 118 LYS HG3 H 1.403 0.038 2 1262 118 118 LYS HD2 H 2.023 0.000 2 1263 118 118 LYS HD3 H 2.023 0.000 2 1264 118 118 LYS HE2 H 3.084 0.028 2 1265 118 118 LYS HE3 H 3.084 0.028 2 1266 118 118 LYS C C 177.235 0.031 1 1267 118 118 LYS CA C 57.997 0.030 1 1268 118 118 LYS CB C 31.921 0.124 1 1269 118 118 LYS CG C 24.153 0.003 1 1270 118 118 LYS CD C 29.264 0.000 1 1271 118 118 LYS CE C 42.292 0.037 1 1272 118 118 LYS N N 118.580 0.068 1 1273 119 119 GLU H H 7.763 0.010 1 1274 119 119 GLU HA H 4.838 0.000 1 1275 119 119 GLU HB2 H 2.050 0.027 2 1276 119 119 GLU HB3 H 2.031 0.004 2 1277 119 119 GLU HG2 H 2.525 0.000 2 1278 119 119 GLU HG3 H 2.525 0.000 2 1279 119 119 GLU C C 178.029 0.033 1 1280 119 119 GLU CA C 55.277 0.060 1 1281 119 119 GLU CB C 30.657 0.163 1 1282 119 119 GLU CG C 34.103 0.000 1 1283 119 119 GLU N N 113.749 0.190 1 1284 120 120 ILE H H 7.518 0.025 1 1285 120 120 ILE HA H 5.371 0.011 1 1286 120 120 ILE HB H 1.757 0.020 1 1287 120 120 ILE HG12 H 1.742 0.036 2 1288 120 120 ILE HG13 H 1.742 0.036 2 1289 120 120 ILE HG2 H 1.312 0.029 1 1290 120 120 ILE HD1 H 0.570 0.033 1 1291 120 120 ILE C C 174.033 0.000 1 1292 120 120 ILE CA C 58.438 0.057 1 1293 120 120 ILE CB C 41.866 0.091 1 1294 120 120 ILE CG1 C 23.778 0.046 1 1295 120 120 ILE CG2 C 20.333 0.096 1 1296 120 120 ILE CD1 C 14.165 0.113 1 1297 120 120 ILE N N 111.144 0.062 1 1298 121 121 PRO HA H 4.662 0.019 1 1299 121 121 PRO HB2 H 1.999 0.010 2 1300 121 121 PRO HB3 H 2.276 0.024 2 1301 121 121 PRO HG2 H 2.001 0.011 2 1302 121 121 PRO HG3 H 2.006 0.011 2 1303 121 121 PRO HD2 H 3.310 0.024 2 1304 121 121 PRO HD3 H 3.330 0.020 2 1305 121 121 PRO C C 174.781 0.014 1 1306 121 121 PRO CA C 62.013 0.077 1 1307 121 121 PRO CB C 29.369 0.145 1 1308 121 121 PRO CG C 27.555 0.059 1 1309 121 121 PRO CD C 50.630 0.053 1 1310 122 122 LEU H H 6.847 0.022 1 1311 122 122 LEU HA H 4.339 0.031 1 1312 122 122 LEU HB2 H 0.776 0.023 2 1313 122 122 LEU HB3 H 0.831 0.016 2 1314 122 122 LEU HG H 0.924 0.019 1 1315 122 122 LEU HD1 H 0.490 0.030 1 1316 122 122 LEU HD2 H 0.486 0.032 1 1317 122 122 LEU C C 173.975 0.013 1 1318 122 122 LEU CA C 54.538 0.067 1 1319 122 122 LEU CB C 45.399 0.106 1 1320 122 122 LEU CG C 26.762 0.026 1 1321 122 122 LEU CD1 C 23.812 0.047 1 1322 122 122 LEU CD2 C 23.748 0.079 1 1323 122 122 LEU N N 121.529 0.096 1 1324 123 123 HIS H H 7.760 0.039 1 1325 123 123 HIS HA H 4.607 0.020 1 1326 123 123 HIS HB2 H 2.893 0.014 2 1327 123 123 HIS HB3 H 3.026 0.027 2 1328 123 123 HIS HD1 H 10.040 0.000 1 1329 123 123 HIS HD2 H 6.845 0.015 1 1330 123 123 HIS HE1 H 7.809 0.007 1 1331 123 123 HIS C C 172.820 0.002 1 1332 123 123 HIS CA C 54.505 0.129 1 1333 123 123 HIS CB C 33.106 0.095 1 1334 123 123 HIS CD2 C 120.943 0.000 1 1335 123 123 HIS CE1 C 138.816 0.000 1 1336 123 123 HIS N N 121.054 0.106 1 1337 124 124 PHE H H 8.306 0.036 1 1338 124 124 PHE HA H 5.834 0.021 1 1339 124 124 PHE HB2 H 2.882 0.023 2 1340 124 124 PHE HB3 H 2.992 0.039 2 1341 124 124 PHE HD1 H 7.120 0.020 1 1342 124 124 PHE HD2 H 7.120 0.020 1 1343 124 124 PHE HE1 H 6.884 0.018 1 1344 124 124 PHE HE2 H 6.884 0.018 1 1345 124 124 PHE C C 175.677 0.002 1 1346 124 124 PHE CA C 56.296 0.059 1 1347 124 124 PHE CB C 41.834 0.016 1 1348 124 124 PHE CD1 C 132.218 0.063 1 1349 124 124 PHE CD2 C 132.218 0.063 1 1350 124 124 PHE CE1 C 130.389 0.001 1 1351 124 124 PHE CE2 C 130.389 0.001 1 1352 124 124 PHE N N 120.465 0.115 1 1353 125 125 ARG H H 8.426 0.028 1 1354 125 125 ARG HA H 4.711 0.023 1 1355 125 125 ARG HB2 H 1.496 0.030 2 1356 125 125 ARG HB3 H 1.496 0.029 2 1357 125 125 ARG HG2 H 1.355 0.014 2 1358 125 125 ARG HG3 H 1.538 0.035 2 1359 125 125 ARG HD2 H 3.141 0.015 2 1360 125 125 ARG HD3 H 3.141 0.015 2 1361 125 125 ARG HE H 6.516 0.006 1 1362 125 125 ARG C C 172.898 0.009 1 1363 125 125 ARG CA C 54.270 0.334 1 1364 125 125 ARG CB C 33.836 0.096 1 1365 125 125 ARG CG C 27.006 0.157 1 1366 125 125 ARG CD C 43.206 0.042 1 1367 125 125 ARG N N 124.008 0.026 1 1368 126 126 LYS H H 8.481 0.032 1 1369 126 126 LYS HA H 3.383 0.029 1 1370 126 126 LYS HB2 H 1.371 0.012 2 1371 126 126 LYS HB3 H 1.533 0.021 2 1372 126 126 LYS HG2 H 1.379 0.000 2 1373 126 126 LYS HG3 H 1.379 0.000 2 1374 126 126 LYS HD2 H 1.552 0.015 2 1375 126 126 LYS HD3 H 1.552 0.015 2 1376 126 126 LYS HE2 H 2.903 0.022 2 1377 126 126 LYS HE3 H 2.903 0.021 2 1378 126 126 LYS C C 176.124 0.005 1 1379 126 126 LYS CA C 56.173 0.063 1 1380 126 126 LYS CB C 33.025 0.088 1 1381 126 126 LYS CG C 24.365 0.000 1 1382 126 126 LYS CD C 29.218 0.012 1 1383 126 126 LYS CE C 42.254 0.037 1 1384 126 126 LYS N N 130.004 0.088 1 1385 127 127 VAL H H 8.721 0.027 1 1386 127 127 VAL HA H 4.505 0.020 1 1387 127 127 VAL HB H 1.925 0.025 1 1388 127 127 VAL HG1 H 0.762 0.034 1 1389 127 127 VAL HG2 H 0.744 0.036 1 1390 127 127 VAL C C 175.565 0.014 1 1391 127 127 VAL CA C 59.964 0.036 1 1392 127 127 VAL CB C 34.349 0.088 1 1393 127 127 VAL CG1 C 20.989 0.201 1 1394 127 127 VAL CG2 C 20.576 0.199 1 1395 127 127 VAL N N 125.288 0.023 1 1396 128 128 VAL H H 8.406 0.025 1 1397 128 128 VAL HA H 4.329 0.021 1 1398 128 128 VAL HB H 2.250 0.028 1 1399 128 128 VAL HG1 H 0.799 0.024 1 1400 128 128 VAL HG2 H 0.829 0.036 1 1401 128 128 VAL C C 174.619 0.009 1 1402 128 128 VAL CA C 62.091 0.041 1 1403 128 128 VAL CB C 32.461 0.112 1 1404 128 128 VAL CG1 C 20.900 0.633 1 1405 128 128 VAL CG2 C 19.495 0.081 1 1406 128 128 VAL N N 117.467 0.018 1 1407 129 129 TRP H H 7.438 0.028 1 1408 129 129 TRP HA H 4.716 0.021 1 1409 129 129 TRP HB2 H 3.246 0.017 2 1410 129 129 TRP HB3 H 3.245 0.017 2 1411 129 129 TRP HD1 H 7.252 0.013 1 1412 129 129 TRP HE1 H 10.076 0.035 1 1413 129 129 TRP HE3 H 7.688 0.010 1 1414 129 129 TRP HZ2 H 7.540 0.015 1 1415 129 129 TRP HZ3 H 7.238 0.005 1 1416 129 129 TRP HH2 H 7.306 0.006 1 1417 129 129 TRP C C 174.536 0.014 1 1418 129 129 TRP CA C 55.921 0.211 1 1419 129 129 TRP CB C 32.028 0.126 1 1420 129 129 TRP CG C 113.295 0.000 1 1421 129 129 TRP CD1 C 127.772 0.034 1 1422 129 129 TRP CE3 C 121.142 0.013 1 1423 129 129 TRP CZ2 C 114.873 0.002 1 1424 129 129 TRP CZ3 C 121.985 0.154 1 1425 129 129 TRP CH2 C 124.543 0.000 1 1426 129 129 TRP N N 119.986 0.073 1 1427 129 129 TRP NE1 N 129.923 0.111 1 1428 130 130 GLY H H 8.006 0.026 1 1429 130 130 GLY HA2 H 3.642 0.021 1 1430 130 130 GLY HA3 H 3.975 0.003 1 1431 130 130 GLY C C 173.185 0.008 1 1432 130 130 GLY CA C 44.494 0.056 1 1433 130 130 GLY N N 109.900 0.001 1 1434 131 131 THR H H 8.229 0.040 1 1435 131 131 THR HA H 4.162 0.020 1 1436 131 131 THR HB H 4.009 0.005 1 1437 131 131 THR HG2 H 1.224 0.018 1 1438 131 131 THR C C 172.766 0.019 1 1439 131 131 THR CA C 63.168 0.105 1 1440 131 131 THR CB C 69.311 0.155 1 1441 131 131 THR CG2 C 21.646 0.016 1 1442 131 131 THR N N 116.304 0.242 1 1443 132 132 ALA H H 7.962 0.030 1 1444 132 132 ALA HA H 4.515 0.030 1 1445 132 132 ALA HB H 0.956 0.029 1 1446 132 132 ALA C C 175.358 0.002 1 1447 132 132 ALA CA C 49.361 0.038 1 1448 132 132 ALA CB C 22.787 0.044 1 1449 132 132 ALA N N 129.807 0.094 1 1450 133 133 ASP H H 8.251 0.020 1 1451 133 133 ASP HA H 4.421 0.013 1 1452 133 133 ASP HB2 H 1.974 0.021 2 1453 133 133 ASP HB3 H 2.816 0.021 2 1454 133 133 ASP C C 177.312 0.017 1 1455 133 133 ASP CA C 57.932 0.028 1 1456 133 133 ASP CB C 40.507 0.207 1 1457 133 133 ASP N N 122.900 0.105 1 1458 134 134 ILE H H 8.802 0.020 1 1459 134 134 ILE HA H 4.143 0.016 1 1460 134 134 ILE HB H 1.939 0.013 1 1461 134 134 ILE HG12 H 1.887 0.042 2 1462 134 134 ILE HG13 H 1.887 0.042 2 1463 134 134 ILE HG2 H 0.973 0.023 1 1464 134 134 ILE HD1 H 0.699 0.028 1 1465 134 134 ILE C C 174.199 0.005 1 1466 134 134 ILE CA C 61.263 0.049 1 1467 134 134 ILE CB C 38.698 0.081 1 1468 134 134 ILE CG1 C 36.225 0.000 1 1469 134 134 ILE CG2 C 14.431 0.038 1 1470 134 134 ILE CD1 C 13.605 0.068 1 1471 134 134 ILE N N 125.472 0.144 1 1472 135 135 MET H H 7.418 0.023 1 1473 135 135 MET HA H 5.192 0.019 1 1474 135 135 MET HB2 H 2.215 0.024 2 1475 135 135 MET HB3 H 2.708 0.025 2 1476 135 135 MET HG2 H 1.264 0.021 2 1477 135 135 MET HG3 H 1.891 0.019 2 1478 135 135 MET HE H 2.251 0.019 1 1479 135 135 MET C C 176.206 0.006 1 1480 135 135 MET CA C 53.675 0.132 1 1481 135 135 MET CB C 32.627 0.056 1 1482 135 135 MET CG C 32.587 0.081 1 1483 135 135 MET CE C 19.082 0.037 1 1484 135 135 MET N N 127.278 0.126 1 1485 136 136 ILE H H 9.124 0.021 1 1486 136 136 ILE HA H 5.589 0.019 1 1487 136 136 ILE HB H 1.893 0.035 1 1488 136 136 ILE HG12 H 0.968 0.036 2 1489 136 136 ILE HG13 H 0.969 0.036 2 1490 136 136 ILE HG2 H 1.001 0.024 1 1491 136 136 ILE HD1 H 0.916 0.024 1 1492 136 136 ILE C C 175.190 0.001 1 1493 136 136 ILE CA C 60.087 0.026 1 1494 136 136 ILE CB C 40.908 0.049 1 1495 136 136 ILE CG1 C 28.789 0.054 1 1496 136 136 ILE CG2 C 16.978 0.123 1 1497 136 136 ILE CD1 C 16.002 0.162 1 1498 136 136 ILE N N 125.440 0.120 1 1499 137 137 GLY H H 8.594 0.022 1 1500 137 137 GLY HA2 H 4.026 0.019 1 1501 137 137 GLY HA3 H 4.750 0.045 1 1502 137 137 GLY C C 170.855 0.004 1 1503 137 137 GLY CA C 45.378 0.084 1 1504 137 137 GLY N N 112.211 0.043 1 1505 138 138 PHE H H 7.857 0.028 1 1506 138 138 PHE HA H 5.499 0.030 1 1507 138 138 PHE HB2 H 2.625 0.017 2 1508 138 138 PHE HB3 H 2.625 0.017 2 1509 138 138 PHE HD1 H 6.994 0.028 1 1510 138 138 PHE HD2 H 6.994 0.028 1 1511 138 138 PHE C C 175.186 0.002 1 1512 138 138 PHE CA C 55.992 0.077 1 1513 138 138 PHE CB C 41.496 0.082 1 1514 138 138 PHE CD1 C 132.521 0.003 1 1515 138 138 PHE CD2 C 132.521 0.003 1 1516 138 138 PHE N N 119.463 0.058 1 1517 139 139 ALA H H 8.955 0.018 1 1518 139 139 ALA HA H 4.731 0.029 1 1519 139 139 ALA HB H 0.908 0.033 1 1520 139 139 ALA C C 174.614 0.003 1 1521 139 139 ALA CA C 51.027 0.104 1 1522 139 139 ALA CB C 22.463 0.048 1 1523 139 139 ALA N N 123.914 0.063 1 1524 140 140 ARG H H 8.546 0.028 1 1525 140 140 ARG HA H 5.106 0.032 1 1526 140 140 ARG HB2 H 1.780 0.028 2 1527 140 140 ARG HB3 H 1.782 0.028 2 1528 140 140 ARG HG2 H 1.351 0.004 2 1529 140 140 ARG HG3 H 1.505 0.024 2 1530 140 140 ARG HD2 H 3.261 0.025 2 1531 140 140 ARG HD3 H 3.270 0.019 2 1532 140 140 ARG C C 176.194 0.031 1 1533 140 140 ARG CA C 54.160 0.191 1 1534 140 140 ARG CB C 33.483 0.050 1 1535 140 140 ARG CG C 26.763 0.075 1 1536 140 140 ARG CD C 43.486 0.002 1 1537 140 140 ARG N N 118.340 0.100 1 1538 141 141 GLY H H 8.989 0.028 1 1539 141 141 GLY HA2 H 3.823 0.014 1 1540 141 141 GLY HA3 H 3.946 0.000 1 1541 141 141 GLY C C 175.595 0.000 1 1542 141 141 GLY CA C 46.293 0.016 1 1543 141 141 GLY N N 108.916 0.041 1 1544 142 142 ALA H H 8.642 0.000 1 1545 142 142 ALA HA H 4.408 0.025 1 1546 142 142 ALA HB H 1.556 0.020 1 1547 142 142 ALA C C 177.027 0.001 1 1548 142 142 ALA CA C 53.200 0.047 1 1549 142 142 ALA CB C 17.929 0.024 1 1550 142 142 ALA N N 121.448 0.000 1 1551 143 143 HIS H H 8.990 0.016 1 1552 143 143 HIS HA H 5.157 0.009 1 1553 143 143 HIS HB2 H 2.792 0.015 2 1554 143 143 HIS HB3 H 3.518 0.012 2 1555 143 143 HIS HD1 H 12.180 0.000 1 1556 143 143 HIS HD2 H 6.445 0.024 1 1557 143 143 HIS HE1 H 8.344 0.009 1 1558 143 143 HIS C C 174.303 0.000 1 1559 143 143 HIS CA C 55.407 0.039 1 1560 143 143 HIS CB C 27.805 0.129 1 1561 143 143 HIS CD2 C 127.264 0.135 1 1562 143 143 HIS CE1 C 141.111 0.000 1 1563 143 143 HIS N N 120.356 0.039 1 1564 144 144 GLY HA2 H 3.640 0.024 1 1565 144 144 GLY HA3 H 4.233 0.028 1 1566 144 144 GLY C C 173.762 0.018 1 1567 144 144 GLY CA C 46.031 0.053 1 1568 145 145 ASP H H 7.096 0.006 1 1569 145 145 ASP HA H 4.698 0.000 1 1570 145 145 ASP HB2 H 2.753 0.000 2 1571 145 145 ASP HB3 H 2.753 0.000 2 1572 145 145 ASP C C 175.851 0.000 1 1573 145 145 ASP CA C 51.960 0.000 1 1574 145 145 ASP CB C 41.812 0.076 1 1575 145 145 ASP N N 117.762 0.001 1 1576 146 146 SER H H 8.261 0.000 1 1577 146 146 SER HA H 4.204 0.013 1 1578 146 146 SER HB2 H 3.321 0.008 2 1579 146 146 SER HB3 H 3.587 0.010 2 1580 146 146 SER C C 172.320 0.005 1 1581 146 146 SER CA C 58.830 0.071 1 1582 146 146 SER CB C 62.940 0.056 1 1583 146 146 SER N N 125.540 0.000 1 1584 147 147 TYR H H 7.450 0.015 1 1585 147 147 TYR HA H 4.822 0.025 1 1586 147 147 TYR HB2 H 1.345 0.014 2 1587 147 147 TYR HB3 H 2.259 0.012 2 1588 147 147 TYR HD1 H 6.538 0.025 1 1589 147 147 TYR HD2 H 6.538 0.025 1 1590 147 147 TYR HE1 H 6.554 0.003 1 1591 147 147 TYR HE2 H 6.554 0.003 1 1592 147 147 TYR C C 170.372 0.000 1 1593 147 147 TYR CA C 53.274 0.202 1 1594 147 147 TYR CB C 38.273 0.113 1 1595 147 147 TYR CD1 C 132.661 0.183 1 1596 147 147 TYR CD2 C 132.661 0.183 1 1597 147 147 TYR CE1 C 118.035 0.015 1 1598 147 147 TYR CE2 C 118.035 0.015 1 1599 147 147 TYR N N 120.757 0.001 1 1600 148 148 PRO HA H 4.872 0.022 1 1601 148 148 PRO HB2 H 2.024 0.024 2 1602 148 148 PRO HB3 H 2.024 0.024 2 1603 148 148 PRO HG2 H 1.967 0.011 2 1604 148 148 PRO HG3 H 1.982 0.026 2 1605 148 148 PRO HD2 H 3.251 0.012 2 1606 148 148 PRO HD3 H 3.623 0.010 2 1607 148 148 PRO C C 179.009 0.000 1 1608 148 148 PRO CA C 63.380 0.160 1 1609 148 148 PRO CB C 30.921 0.078 1 1610 148 148 PRO CG C 27.188 0.040 1 1611 148 148 PRO CD C 49.627 0.141 1 1612 149 149 PHE H H 8.024 0.008 1 1613 149 149 PHE HB2 H 3.120 0.029 2 1614 149 149 PHE HB3 H 3.943 0.044 2 1615 149 149 PHE C C 176.813 0.002 1 1616 149 149 PHE CA C 58.399 0.215 1 1617 149 149 PHE CB C 38.534 0.139 1 1618 149 149 PHE N N 120.514 0.116 1 1619 150 150 ASP H H 7.511 0.014 1 1620 150 150 ASP HA H 4.839 0.007 1 1621 150 150 ASP HB2 H 2.727 0.030 2 1622 150 150 ASP HB3 H 3.365 0.000 2 1623 150 150 ASP C C 176.996 0.044 1 1624 150 150 ASP CA C 53.864 0.122 1 1625 150 150 ASP CB C 41.916 0.097 1 1626 150 150 ASP N N 115.554 0.057 1 1627 151 151 GLY H H 9.080 0.016 1 1628 151 151 GLY HA2 H 4.412 0.012 1 1629 151 151 GLY HA3 H 4.412 0.012 1 1630 151 151 GLY C C 170.281 0.000 1 1631 151 151 GLY CA C 44.405 0.016 1 1632 151 151 GLY N N 110.650 0.058 1 1633 152 152 PRO HA H 4.056 0.007 1 1634 152 152 PRO HB2 H 2.210 0.009 2 1635 152 152 PRO HB3 H 2.232 0.032 2 1636 152 152 PRO HG2 H 2.055 0.000 2 1637 152 152 PRO HG3 H 2.055 0.000 2 1638 152 152 PRO C C 178.300 0.000 1 1639 152 152 PRO CA C 63.824 0.064 1 1640 152 152 PRO CB C 31.243 0.095 1 1641 152 152 PRO CG C 27.587 0.000 1 1642 152 152 PRO CD C 49.394 0.000 1 1643 153 153 GLY H H 11.431 0.041 1 1644 153 153 GLY HA2 H 3.395 0.027 1 1645 153 153 GLY HA3 H 4.122 0.037 1 1646 153 153 GLY C C 174.099 0.004 1 1647 153 153 GLY CA C 43.624 0.069 1 1648 153 153 GLY N N 118.779 0.009 1 1649 154 154 ASN H H 9.247 0.037 1 1650 154 154 ASN HA H 4.244 0.014 1 1651 154 154 ASN HB2 H 2.995 0.025 2 1652 154 154 ASN HB3 H 3.189 0.028 2 1653 154 154 ASN C C 174.631 0.020 1 1654 154 154 ASN CA C 56.575 0.131 1 1655 154 154 ASN CB C 36.973 0.109 1 1656 154 154 ASN CG C 177.800 0.000 1 1657 154 154 ASN N N 120.684 0.056 1 1658 155 155 THR H H 9.500 0.026 1 1659 155 155 THR HA H 5.577 0.030 1 1660 155 155 THR HB H 4.397 0.024 1 1661 155 155 THR HG2 H 1.622 0.020 1 1662 155 155 THR C C 176.594 0.008 1 1663 155 155 THR CA C 61.735 0.062 1 1664 155 155 THR CB C 71.244 0.052 1 1665 155 155 THR CG2 C 23.685 0.037 1 1666 155 155 THR N N 118.254 0.040 1 1667 156 156 LEU H H 8.492 0.022 1 1668 156 156 LEU HA H 4.875 0.029 1 1669 156 156 LEU HB2 H 1.704 0.024 2 1670 156 156 LEU HB3 H 1.706 0.024 2 1671 156 156 LEU HG H 0.656 0.033 1 1672 156 156 LEU HD1 H 0.562 0.023 2 1673 156 156 LEU HD2 H 0.592 0.022 2 1674 156 156 LEU C C 175.652 0.012 1 1675 156 156 LEU CA C 55.545 0.193 1 1676 156 156 LEU CB C 44.482 0.082 1 1677 156 156 LEU CG C 25.775 0.108 1 1678 156 156 LEU CD1 C 22.496 0.085 2 1679 156 156 LEU CD2 C 25.845 0.067 2 1680 156 156 LEU N N 122.588 0.120 1 1681 157 157 ALA H H 7.567 0.029 1 1682 157 157 ALA HA H 5.035 0.013 1 1683 157 157 ALA HB H 1.517 0.019 1 1684 157 157 ALA C C 175.740 0.008 1 1685 157 157 ALA CA C 50.941 0.137 1 1686 157 157 ALA CB C 22.448 0.054 1 1687 157 157 ALA N N 115.389 0.048 1 1688 158 158 HIS H H 8.757 0.021 1 1689 158 158 HIS HA H 4.605 0.027 1 1690 158 158 HIS HB2 H 2.346 0.024 2 1691 158 158 HIS HB3 H 3.129 0.015 2 1692 158 158 HIS HD2 H 6.129 0.025 1 1693 158 158 HIS HE1 H 6.524 0.052 1 1694 158 158 HIS C C 170.184 0.008 1 1695 158 158 HIS CA C 56.075 0.024 1 1696 158 158 HIS CB C 30.139 0.155 1 1697 158 158 HIS CD2 C 123.962 0.003 1 1698 158 158 HIS N N 111.900 0.031 1 1699 159 159 ALA H H 6.110 0.026 1 1700 159 159 ALA HA H 4.654 0.000 1 1701 159 159 ALA HB H 1.364 0.027 1 1702 159 159 ALA C C 174.035 0.002 1 1703 159 159 ALA CA C 51.130 0.140 1 1704 159 159 ALA CB C 24.037 0.013 1 1705 159 159 ALA N N 118.276 0.095 1 1706 160 160 PHE H H 7.912 0.028 1 1707 160 160 PHE HA H 4.503 0.029 1 1708 160 160 PHE HB2 H 3.047 0.019 2 1709 160 160 PHE HB3 H 3.047 0.019 2 1710 160 160 PHE HD1 H 7.135 0.025 1 1711 160 160 PHE HD2 H 7.135 0.025 1 1712 160 160 PHE HE1 H 6.801 0.008 1 1713 160 160 PHE HE2 H 6.801 0.008 1 1714 160 160 PHE C C 174.448 0.040 1 1715 160 160 PHE CA C 56.854 0.027 1 1716 160 160 PHE CB C 42.156 0.024 1 1717 160 160 PHE CD1 C 132.588 0.045 1 1718 160 160 PHE CD2 C 132.588 0.045 1 1719 160 160 PHE CE1 C 130.236 0.004 1 1720 160 160 PHE CE2 C 130.236 0.004 1 1721 160 160 PHE N N 117.937 0.074 1 1722 161 161 ALA H H 8.107 0.034 1 1723 161 161 ALA HA H 4.491 0.019 1 1724 161 161 ALA HB H 1.230 0.028 1 1725 161 161 ALA C C 175.503 0.000 1 1726 161 161 ALA CA C 50.610 0.033 1 1727 161 161 ALA CB C 16.562 0.057 1 1728 161 161 ALA N N 123.531 0.054 1 1729 162 162 PRO HA H 2.910 0.013 1 1730 162 162 PRO HB2 H -0.316 0.043 2 1731 162 162 PRO HB3 H 0.543 0.006 2 1732 162 162 PRO HG2 H 1.048 0.038 2 1733 162 162 PRO HG3 H 1.071 0.039 2 1734 162 162 PRO HD2 H 2.975 0.022 2 1735 162 162 PRO HD3 H 3.479 0.012 2 1736 162 162 PRO C C 173.463 0.007 1 1737 162 162 PRO CA C 64.241 0.071 1 1738 162 162 PRO CB C 31.251 0.089 1 1739 162 162 PRO CG C 25.814 0.000 1 1740 162 162 PRO CD C 49.046 0.013 1 1741 163 163 GLY H H 5.997 0.028 1 1742 163 163 GLY HA2 H 3.789 0.022 1 1743 163 163 GLY HA3 H 4.168 0.021 1 1744 163 163 GLY C C 172.092 0.000 1 1745 163 163 GLY CA C 43.976 0.058 1 1746 163 163 GLY N N 107.206 0.080 1 1747 165 165 GLY H H 9.145 0.007 1 1748 165 165 GLY HA2 H 3.793 0.021 1 1749 165 165 GLY HA3 H 4.120 0.024 1 1750 165 165 GLY C C 177.158 0.000 1 1751 165 165 GLY CA C 44.269 0.097 1 1752 165 165 GLY N N 103.110 0.000 1 1753 166 166 LEU HA H 4.179 0.014 1 1754 166 166 LEU HB2 H 0.745 0.025 2 1755 166 166 LEU HB3 H 1.238 0.017 2 1756 166 166 LEU HG H 1.255 0.006 1 1757 166 166 LEU HD1 H 0.664 0.018 1 1758 166 166 LEU HD2 H 0.652 0.019 1 1759 166 166 LEU C C 176.450 0.061 1 1760 166 166 LEU CA C 56.150 0.131 1 1761 166 166 LEU CB C 41.768 0.056 1 1762 166 166 LEU CG C 26.864 0.022 1 1763 166 166 LEU CD1 C 24.726 0.000 1 1764 166 166 LEU CD2 C 23.786 0.079 1 1765 167 167 GLY H H 7.768 0.022 1 1766 167 167 GLY HA2 H 3.070 0.030 1 1767 167 167 GLY HA3 H 3.802 0.028 1 1768 167 167 GLY C C 174.800 0.010 1 1769 167 167 GLY CA C 47.209 0.091 1 1770 167 167 GLY N N 103.318 0.132 1 1771 168 168 GLY H H 7.698 0.028 1 1772 168 168 GLY HA2 H 4.230 0.031 1 1773 168 168 GLY HA3 H 4.661 0.000 1 1774 168 168 GLY C C 172.121 0.005 1 1775 168 168 GLY CA C 46.615 0.037 1 1776 168 168 GLY N N 121.051 0.053 1 1777 169 169 ASP H H 8.595 0.023 1 1778 169 169 ASP C C 173.944 0.009 1 1779 169 169 ASP CA C 55.832 0.197 1 1780 169 169 ASP CB C 39.907 0.159 1 1781 169 169 ASP N N 123.641 0.119 1 1782 170 170 ALA H H 8.324 0.015 1 1783 170 170 ALA HA H 4.730 0.000 1 1784 170 170 ALA HB H 1.072 0.042 1 1785 170 170 ALA C C 174.592 0.007 1 1786 170 170 ALA CA C 51.116 0.151 1 1787 170 170 ALA CB C 22.282 0.109 1 1788 170 170 ALA N N 119.366 0.076 1 1789 171 171 HIS H H 8.499 0.020 1 1790 171 171 HIS HA H 5.748 0.026 1 1791 171 171 HIS HB2 H 2.662 0.043 2 1792 171 171 HIS HB3 H 2.921 0.013 2 1793 171 171 HIS HD2 H 7.141 0.037 1 1794 171 171 HIS HE1 H 7.878 0.000 1 1795 171 171 HIS C C 172.948 0.003 1 1796 171 171 HIS CA C 50.729 0.029 1 1797 171 171 HIS CB C 34.531 0.146 1 1798 171 171 HIS CD2 C 116.985 0.000 1 1799 171 171 HIS CE1 C 137.341 0.018 1 1800 171 171 HIS N N 120.239 0.041 1 1801 172 172 PHE H H 8.445 0.026 1 1802 172 172 PHE HA H 4.528 0.029 1 1803 172 172 PHE HB2 H 1.345 0.039 2 1804 172 172 PHE HB3 H 2.422 0.024 2 1805 172 172 PHE HD1 H 6.620 0.020 1 1806 172 172 PHE HD2 H 6.620 0.020 1 1807 172 172 PHE HE1 H 6.666 0.027 1 1808 172 172 PHE HE2 H 6.666 0.027 1 1809 172 172 PHE C C 173.875 0.004 1 1810 172 172 PHE CA C 56.909 0.138 1 1811 172 172 PHE CB C 41.918 0.097 1 1812 172 172 PHE CD1 C 132.247 0.001 1 1813 172 172 PHE CD2 C 132.247 0.001 1 1814 172 172 PHE CE1 C 129.027 0.003 1 1815 172 172 PHE CE2 C 129.027 0.003 1 1816 172 172 PHE N N 121.125 0.011 1 1817 173 173 ASP H H 7.927 0.017 1 1818 173 173 ASP HA H 3.914 0.019 1 1819 173 173 ASP HB2 H 2.738 0.031 2 1820 173 173 ASP HB3 H 2.708 0.004 2 1821 173 173 ASP C C 178.612 0.001 1 1822 173 173 ASP CA C 54.793 0.021 1 1823 173 173 ASP CB C 40.741 0.019 1 1824 173 173 ASP N N 124.014 0.101 1 1825 174 174 GLU H H 9.528 0.015 1 1826 174 174 GLU HB2 H 1.750 0.019 2 1827 174 174 GLU HB3 H 2.032 0.036 2 1828 174 174 GLU HG2 H 2.573 0.007 2 1829 174 174 GLU HG3 H 2.573 0.007 2 1830 174 174 GLU C C 176.442 0.000 1 1831 174 174 GLU CA C 57.183 0.142 1 1832 174 174 GLU CB C 30.361 0.141 1 1833 174 174 GLU CG C 36.454 0.000 1 1834 174 174 GLU N N 132.469 0.086 1 1835 175 175 ASP H H 8.768 0.017 1 1836 175 175 ASP HA H 4.793 0.028 1 1837 175 175 ASP HB2 H 2.554 0.034 2 1838 175 175 ASP HB3 H 2.479 0.033 2 1839 175 175 ASP C C 176.643 0.020 1 1840 175 175 ASP CA C 55.928 0.179 1 1841 175 175 ASP CB C 40.159 0.019 1 1842 175 175 ASP N N 117.394 0.072 1 1843 176 176 GLU H H 7.159 0.010 1 1844 176 176 GLU HB2 H 1.849 0.034 2 1845 176 176 GLU HB3 H 1.849 0.034 2 1846 176 176 GLU HG2 H 2.752 0.026 2 1847 176 176 GLU HG3 H 2.854 0.000 2 1848 176 176 GLU C C 175.037 0.004 1 1849 176 176 GLU CA C 53.627 0.165 1 1850 176 176 GLU CB C 26.223 0.000 1 1851 176 176 GLU CG C 30.323 0.021 1 1852 176 176 GLU N N 116.490 0.105 1 1853 177 177 ARG H H 7.557 0.025 1 1854 177 177 ARG HA H 4.691 0.007 1 1855 177 177 ARG HB2 H 1.720 0.016 2 1856 177 177 ARG HB3 H 1.720 0.016 2 1857 177 177 ARG HG2 H 1.468 0.024 2 1858 177 177 ARG HG3 H 1.468 0.024 2 1859 177 177 ARG C C 174.482 0.012 1 1860 177 177 ARG CA C 53.684 0.152 1 1861 177 177 ARG CB C 29.054 0.025 1 1862 177 177 ARG N N 122.141 0.201 1 1863 178 178 TRP H H 8.807 0.027 1 1864 178 178 TRP HA H 5.100 0.036 1 1865 178 178 TRP HB2 H 3.040 0.017 2 1866 178 178 TRP HB3 H 3.040 0.017 2 1867 178 178 TRP HD1 H 7.557 0.021 1 1868 178 178 TRP HE1 H 10.211 0.021 1 1869 178 178 TRP HE3 H 7.707 0.018 1 1870 178 178 TRP HZ2 H 8.137 0.014 1 1871 178 178 TRP HZ3 H 6.968 0.032 1 1872 178 178 TRP HH2 H 7.174 0.022 1 1873 178 178 TRP C C 176.297 0.002 1 1874 178 178 TRP CA C 56.842 0.132 1 1875 178 178 TRP CB C 31.184 0.054 1 1876 178 178 TRP CD1 C 128.395 0.011 1 1877 178 178 TRP CE3 C 120.535 0.007 1 1878 178 178 TRP CZ2 C 116.148 0.110 1 1879 178 178 TRP CZ3 C 121.997 0.000 1 1880 178 178 TRP CH2 C 123.028 0.000 1 1881 178 178 TRP N N 129.179 0.060 1 1882 178 178 TRP NE1 N 129.104 0.097 1 1883 179 179 THR H H 8.974 0.032 1 1884 179 179 THR HA H 4.985 0.053 1 1885 179 179 THR HB H 4.128 0.042 1 1886 179 179 THR HG2 H 0.900 0.032 1 1887 179 179 THR C C 172.762 0.016 1 1888 179 179 THR CA C 59.100 0.129 1 1889 179 179 THR CB C 71.734 0.058 1 1890 179 179 THR CG2 C 19.495 0.073 1 1891 179 179 THR N N 112.792 0.083 1 1892 180 180 ASP H H 8.485 0.022 1 1893 180 180 ASP HA H 4.463 0.039 1 1894 180 180 ASP HB2 H 2.431 0.034 2 1895 180 180 ASP HB3 H 3.059 0.030 2 1896 180 180 ASP C C 176.365 0.004 1 1897 180 180 ASP CA C 53.028 0.426 1 1898 180 180 ASP CB C 41.726 0.118 1 1899 180 180 ASP N N 122.074 0.115 1 1900 181 181 GLY H H 8.569 0.007 1 1901 181 181 GLY HA2 H 3.841 0.000 1 1902 181 181 GLY HA3 H 3.841 0.000 1 1903 181 181 GLY C C 174.325 0.001 1 1904 181 181 GLY CA C 47.660 0.000 1 1905 181 181 GLY N N 110.123 0.036 1 1906 182 182 SER H H 8.160 0.022 1 1907 182 182 SER HA H 4.519 0.001 1 1908 182 182 SER HB2 H 3.911 0.001 2 1909 182 182 SER HB3 H 3.911 0.001 2 1910 182 182 SER C C 173.790 0.027 1 1911 182 182 SER CA C 57.973 0.037 1 1912 182 182 SER CB C 64.121 0.188 1 1913 182 182 SER N N 115.562 0.000 1 1914 183 183 SER H H 7.796 0.025 1 1915 183 183 SER HA H 4.275 0.001 1 1916 183 183 SER HB2 H 3.858 0.018 2 1917 183 183 SER HB3 H 3.858 0.018 2 1918 183 183 SER C C 173.335 0.006 1 1919 183 183 SER CA C 59.893 0.012 1 1920 183 183 SER CB C 65.004 0.032 1 1921 183 183 SER N N 117.153 0.000 1 1922 184 184 LEU H H 8.092 0.032 1 1923 184 184 LEU HA H 4.392 0.019 1 1924 184 184 LEU HB2 H 1.526 0.027 2 1925 184 184 LEU HB3 H 1.636 0.019 2 1926 184 184 LEU HG H 1.637 0.026 1 1927 184 184 LEU HD1 H 0.909 0.023 1 1928 184 184 LEU HD2 H 0.890 0.027 1 1929 184 184 LEU C C 176.249 0.003 1 1930 184 184 LEU CA C 55.468 0.085 1 1931 184 184 LEU CB C 42.056 0.120 1 1932 184 184 LEU CG C 26.800 0.001 1 1933 184 184 LEU CD1 C 24.753 0.006 1 1934 184 184 LEU CD2 C 23.342 0.000 1 1935 184 184 LEU N N 122.351 0.001 1 1936 185 185 GLY H H 7.960 0.023 1 1937 185 185 GLY HA2 H 3.906 0.001 1 1938 185 185 GLY HA3 H 3.906 0.001 1 1939 185 185 GLY C C 172.374 0.004 1 1940 185 185 GLY CA C 44.365 0.032 1 1941 185 185 GLY N N 108.871 0.001 1 1942 186 186 ILE H H 8.893 0.037 1 1943 186 186 ILE HA H 3.840 0.033 1 1944 186 186 ILE HB H 1.138 0.030 1 1945 186 186 ILE HG12 H 1.110 0.029 2 1946 186 186 ILE HG13 H 1.110 0.028 2 1947 186 186 ILE HG2 H 0.199 0.026 1 1948 186 186 ILE HD1 H 0.144 0.021 1 1949 186 186 ILE C C 175.350 0.001 1 1950 186 186 ILE CA C 58.375 0.081 1 1951 186 186 ILE CB C 35.444 0.078 1 1952 186 186 ILE CG1 C 25.702 0.108 1 1953 186 186 ILE CG2 C 18.771 0.048 1 1954 186 186 ILE CD1 C 8.965 0.209 1 1955 186 186 ILE N N 123.096 0.092 1 1956 187 187 ASN H H 8.587 0.028 1 1957 187 187 ASN HA H 4.353 0.002 1 1958 187 187 ASN HB2 H 2.985 0.034 2 1959 187 187 ASN HB3 H 3.166 0.000 2 1960 187 187 ASN C C 175.839 0.041 1 1961 187 187 ASN CA C 55.544 0.119 1 1962 187 187 ASN CB C 39.132 0.147 1 1963 187 187 ASN N N 126.968 0.203 1 1964 188 188 PHE H H 9.361 0.027 1 1965 188 188 PHE HA H 4.573 0.046 1 1966 188 188 PHE HB2 H 3.465 0.013 2 1967 188 188 PHE HB3 H 3.465 0.013 2 1968 188 188 PHE HD1 H 6.601 0.022 1 1969 188 188 PHE HD2 H 6.601 0.022 1 1970 188 188 PHE HE1 H 5.874 0.029 1 1971 188 188 PHE HE2 H 5.874 0.029 1 1972 188 188 PHE C C 175.590 0.058 1 1973 188 188 PHE CA C 61.722 0.029 1 1974 188 188 PHE CB C 39.389 0.098 1 1975 188 188 PHE CD1 C 130.624 0.010 1 1976 188 188 PHE CD2 C 130.624 0.010 1 1977 188 188 PHE CE1 C 130.606 0.001 1 1978 188 188 PHE CE2 C 130.606 0.001 1 1979 188 188 PHE N N 129.985 0.053 1 1980 189 189 LEU H H 8.562 0.022 1 1981 189 189 LEU HA H 3.801 0.016 1 1982 189 189 LEU HB2 H 2.058 0.000 2 1983 189 189 LEU HB3 H 2.331 0.000 2 1984 189 189 LEU HD1 H 0.974 0.029 2 1985 189 189 LEU HD2 H 1.110 0.019 2 1986 189 189 LEU C C 179.601 0.000 1 1987 189 189 LEU CA C 58.520 0.033 1 1988 189 189 LEU CB C 39.940 0.118 1 1989 189 189 LEU CD1 C 23.230 0.095 2 1990 189 189 LEU CD2 C 25.989 0.155 2 1991 189 189 LEU N N 119.113 0.012 1 1992 190 190 TYR HA H 3.917 0.016 1 1993 190 190 TYR HB2 H 3.086 0.014 2 1994 190 190 TYR HB3 H 3.142 0.000 2 1995 190 190 TYR C C 177.625 0.013 1 1996 190 190 TYR CA C 60.775 0.056 1 1997 190 190 TYR CB C 39.187 0.041 1 1998 191 191 ALA H H 7.993 0.033 1 1999 191 191 ALA HA H 4.315 0.037 1 2000 191 191 ALA HB H 1.807 0.027 1 2001 191 191 ALA C C 180.249 0.025 1 2002 191 191 ALA CA C 55.167 0.107 1 2003 191 191 ALA CB C 19.118 0.070 1 2004 191 191 ALA N N 120.352 0.052 1 2005 192 192 ALA H H 9.297 0.032 1 2006 192 192 ALA HA H 4.057 0.022 1 2007 192 192 ALA HB H 0.554 0.021 1 2008 192 192 ALA C C 178.573 0.014 1 2009 192 192 ALA CA C 55.162 0.082 1 2010 192 192 ALA CB C 16.188 0.053 1 2011 192 192 ALA N N 121.409 0.090 1 2012 193 193 THR H H 8.226 0.023 1 2013 193 193 THR HA H 3.833 0.049 1 2014 193 193 THR HB H 4.110 0.027 1 2015 193 193 THR HG2 H 1.152 0.041 1 2016 193 193 THR CA C 69.143 0.027 1 2017 193 193 THR CB C 67.396 0.042 1 2018 193 193 THR CG2 C 21.791 0.056 1 2019 193 193 THR N N 116.996 0.046 1 2020 194 194 HIS H H 7.782 0.028 1 2021 194 194 HIS HA H 4.236 0.047 1 2022 194 194 HIS HB2 H 3.152 0.020 2 2023 194 194 HIS HB3 H 3.343 0.020 2 2024 194 194 HIS C C 175.968 0.022 1 2025 194 194 HIS CA C 59.764 0.117 1 2026 194 194 HIS CB C 27.971 0.103 1 2027 194 194 HIS N N 120.296 0.029 1 2028 195 195 ALA H H 8.690 0.030 1 2029 195 195 ALA HA H 4.156 0.020 1 2030 195 195 ALA HB H 1.306 0.022 1 2031 195 195 ALA CA C 55.999 0.139 1 2032 195 195 ALA CB C 18.710 0.048 1 2033 195 195 ALA N N 121.290 0.095 1 2034 196 196 LEU H H 8.715 0.028 1 2035 196 196 LEU HA H 4.170 0.023 1 2036 196 196 LEU HB2 H 1.176 0.021 2 2037 196 196 LEU HB3 H 1.819 0.029 2 2038 196 196 LEU HG H 1.783 0.019 1 2039 196 196 LEU HD1 H 0.697 0.031 1 2040 196 196 LEU HD2 H 0.771 0.036 1 2041 196 196 LEU C C 177.946 0.005 1 2042 196 196 LEU CA C 56.219 0.083 1 2043 196 196 LEU CB C 39.764 0.091 1 2044 196 196 LEU CG C 27.686 0.154 1 2045 196 196 LEU CD1 C 25.814 0.103 1 2046 196 196 LEU CD2 C 22.233 0.164 1 2047 196 196 LEU N N 114.899 0.091 1 2048 197 197 GLY H H 7.546 0.019 1 2049 197 197 GLY HA2 H 2.290 0.026 1 2050 197 197 GLY HA3 H 3.656 0.021 1 2051 197 197 GLY C C 178.643 0.006 1 2052 197 197 GLY CA C 47.568 0.097 1 2053 197 197 GLY N N 107.901 0.113 1 2054 198 198 HIS H H 7.196 0.034 1 2055 198 198 HIS HA H 4.857 0.024 1 2056 198 198 HIS HB2 H 2.532 0.016 2 2057 198 198 HIS HB3 H 3.800 0.034 2 2058 198 198 HIS HD2 H 7.009 0.006 1 2059 198 198 HIS HE1 H 6.973 0.043 1 2060 198 198 HIS C C 179.877 0.010 1 2061 198 198 HIS CA C 58.525 0.098 1 2062 198 198 HIS CB C 27.534 0.049 1 2063 198 198 HIS CD2 C 127.332 0.167 1 2064 198 198 HIS CE1 C 138.307 0.043 1 2065 198 198 HIS N N 122.017 0.073 1 2066 199 199 SER H H 7.885 0.020 1 2067 199 199 SER HA H 4.490 0.006 1 2068 199 199 SER HB2 H 3.797 0.031 2 2069 199 199 SER HB3 H 3.803 0.030 2 2070 199 199 SER C C 174.493 0.000 1 2071 199 199 SER CA C 58.181 0.024 1 2072 199 199 SER CB C 63.625 0.087 1 2073 199 199 SER N N 118.486 0.090 1 2074 200 200 LEU H H 7.108 0.027 1 2075 200 200 LEU HB2 H 1.551 0.031 2 2076 200 200 LEU HB3 H 1.650 0.024 2 2077 200 200 LEU HG H 0.497 0.024 1 2078 200 200 LEU HD1 H 0.493 0.033 1 2079 200 200 LEU HD2 H 0.886 0.030 1 2080 200 200 LEU C C 177.717 0.020 1 2081 200 200 LEU CA C 54.818 0.111 1 2082 200 200 LEU CB C 42.416 0.094 1 2083 200 200 LEU CG C 24.972 0.042 1 2084 200 200 LEU CD1 C 24.965 0.112 1 2085 200 200 LEU CD2 C 22.452 0.063 1 2086 200 200 LEU N N 114.686 0.073 1 2087 201 201 GLY H H 8.195 0.016 1 2088 201 201 GLY HA2 H 3.347 0.014 1 2089 201 201 GLY HA3 H 3.347 0.014 1 2090 201 201 GLY C C 174.013 0.031 1 2091 201 201 GLY CA C 44.412 0.034 1 2092 201 201 GLY N N 108.363 0.081 1 2093 202 202 MET H H 8.182 0.028 1 2094 202 202 MET HA H 4.473 0.038 1 2095 202 202 MET HB2 H 1.874 0.024 2 2096 202 202 MET HB3 H 1.875 0.024 2 2097 202 202 MET HE H 2.488 0.014 1 2098 202 202 MET C C 176.591 0.015 1 2099 202 202 MET CA C 54.421 0.042 1 2100 202 202 MET CB C 32.176 0.060 1 2101 202 202 MET CE C 18.933 0.076 1 2102 202 202 MET N N 119.635 0.142 1 2103 203 203 GLY H H 8.405 0.024 1 2104 203 203 GLY HA2 H 3.711 0.022 1 2105 203 203 GLY HA3 H 4.548 0.045 1 2106 203 203 GLY C C 174.041 0.004 1 2107 203 203 GLY CA C 42.970 0.027 1 2108 203 203 GLY N N 109.749 0.032 1 2109 204 204 HIS H H 8.364 0.023 1 2110 204 204 HIS HA H 5.400 0.030 1 2111 204 204 HIS HB2 H 3.146 0.047 2 2112 204 204 HIS HB3 H 3.212 0.000 2 2113 204 204 HIS HD2 H 6.967 0.026 1 2114 204 204 HIS HE1 H 7.639 0.012 1 2115 204 204 HIS C C 174.430 0.002 1 2116 204 204 HIS CA C 54.834 0.046 1 2117 204 204 HIS CB C 29.843 0.104 1 2118 204 204 HIS CD2 C 125.263 0.016 1 2119 204 204 HIS CE1 C 138.052 0.000 1 2120 204 204 HIS N N 115.732 0.022 1 2121 205 205 SER H H 7.231 0.028 1 2122 205 205 SER HA H 4.766 0.000 1 2123 205 205 SER HB2 H 3.268 0.024 2 2124 205 205 SER HB3 H 4.205 0.018 2 2125 205 205 SER C C 173.601 0.038 1 2126 205 205 SER CA C 54.725 0.188 1 2127 205 205 SER CB C 65.867 0.081 1 2128 205 205 SER N N 115.484 0.090 1 2129 206 206 SER H H 8.289 0.031 1 2130 206 206 SER HA H 3.701 0.024 1 2131 206 206 SER HB2 H 3.222 0.011 2 2132 206 206 SER HB3 H 3.220 0.011 2 2133 206 206 SER C C 173.635 0.002 1 2134 206 206 SER CA C 63.822 0.053 1 2135 206 206 SER CB C 63.829 0.070 1 2136 206 206 SER N N 119.263 0.078 1 2137 207 207 ASP H H 8.541 0.017 1 2138 207 207 ASP HA H 4.929 0.000 1 2139 207 207 ASP HB2 H 2.374 0.000 2 2140 207 207 ASP HB3 H 2.374 0.000 2 2141 207 207 ASP C C 174.614 0.000 1 2142 207 207 ASP CA C 51.262 0.063 1 2143 207 207 ASP CB C 41.331 0.091 1 2144 207 207 ASP N N 126.646 0.128 1 2145 208 208 PRO HA H 3.787 0.000 1 2146 208 208 PRO C C 177.467 0.001 1 2147 208 208 PRO CA C 62.836 0.000 1 2148 208 208 PRO CB C 31.596 0.005 1 2149 209 209 ASN H H 8.350 0.040 1 2150 209 209 ASN HA H 4.641 0.000 1 2151 209 209 ASN HB2 H 2.736 0.054 2 2152 209 209 ASN HB3 H 2.736 0.054 2 2153 209 209 ASN HD21 H 6.907 0.005 1 2154 209 209 ASN HD22 H 7.904 0.006 1 2155 209 209 ASN C C 174.691 0.017 1 2156 209 209 ASN CA C 53.220 0.129 1 2157 209 209 ASN CB C 38.902 0.091 1 2158 209 209 ASN CG C 177.573 0.000 1 2159 209 209 ASN N N 116.020 0.088 1 2160 209 209 ASN ND2 N 115.838 0.077 1 2161 210 210 ALA H H 8.193 0.032 1 2162 210 210 ALA HA H 4.095 0.021 1 2163 210 210 ALA HB H 1.781 0.023 1 2164 210 210 ALA C C 179.495 0.000 1 2165 210 210 ALA CA C 52.054 0.093 1 2166 210 210 ALA CB C 19.202 0.062 1 2167 210 210 ALA N N 124.892 0.090 1 2168 211 211 VAL H H 11.592 0.024 1 2169 211 211 VAL HA H 4.263 0.011 1 2170 211 211 VAL HB H 1.916 0.031 1 2171 211 211 VAL HG1 H 0.789 0.034 1 2172 211 211 VAL HG2 H 0.891 0.031 1 2173 211 211 VAL C C 179.417 0.029 1 2174 211 211 VAL CA C 65.019 0.025 1 2175 211 211 VAL CB C 30.967 0.073 1 2176 211 211 VAL CG1 C 21.258 0.080 1 2177 211 211 VAL CG2 C 24.134 0.018 1 2178 211 211 VAL N N 130.402 0.062 1 2179 212 212 MET H H 7.724 0.036 1 2180 212 212 MET C C 176.995 0.004 1 2181 212 212 MET CA C 53.626 0.047 1 2182 212 212 MET CB C 26.971 0.016 1 2183 212 212 MET N N 113.285 0.100 1 2184 213 213 TYR H H 7.902 0.029 1 2185 213 213 TYR HA H 5.696 0.013 1 2186 213 213 TYR HB2 H 3.021 0.045 2 2187 213 213 TYR HB3 H 3.839 0.028 2 2188 213 213 TYR HD1 H 7.391 0.015 1 2189 213 213 TYR HD2 H 7.391 0.015 1 2190 213 213 TYR HE1 H 6.899 0.017 1 2191 213 213 TYR HE2 H 6.899 0.017 1 2192 213 213 TYR C C 178.411 0.000 1 2193 213 213 TYR CA C 57.120 0.095 1 2194 213 213 TYR CB C 39.185 0.117 1 2195 213 213 TYR CD1 C 134.741 0.010 1 2196 213 213 TYR CD2 C 134.741 0.010 1 2197 213 213 TYR CE1 C 118.290 0.003 1 2198 213 213 TYR CE2 C 118.290 0.003 1 2199 213 213 TYR N N 129.899 0.245 1 2200 214 214 PRO HA H 3.475 0.009 1 2201 214 214 PRO HB2 H 1.510 0.018 2 2202 214 214 PRO HB3 H 1.513 0.017 2 2203 214 214 PRO HG2 H 1.586 0.041 2 2204 214 214 PRO HG3 H 1.700 0.031 2 2205 214 214 PRO HD2 H 2.871 0.015 2 2206 214 214 PRO HD3 H 2.871 0.015 2 2207 214 214 PRO C C 177.692 0.008 1 2208 214 214 PRO CA C 65.997 0.050 1 2209 214 214 PRO CB C 32.738 0.068 1 2210 214 214 PRO CG C 28.418 0.000 1 2211 214 214 PRO CD C 50.752 0.103 1 2212 215 215 THR H H 6.407 0.022 1 2213 215 215 THR HA H 4.444 0.034 1 2214 215 215 THR HB H 4.370 0.031 1 2215 215 215 THR HG2 H 1.209 0.031 1 2216 215 215 THR C C 173.440 0.064 1 2217 215 215 THR CA C 60.495 0.025 1 2218 215 215 THR CB C 69.581 0.167 1 2219 215 215 THR CG2 C 22.732 0.133 1 2220 215 215 THR N N 104.450 0.134 1 2221 216 216 TYR H H 8.331 0.016 1 2222 216 216 TYR HA H 4.232 0.002 1 2223 216 216 TYR HB2 H 2.701 0.024 2 2224 216 216 TYR HB3 H 3.013 0.028 2 2225 216 216 TYR HD1 H 6.900 0.013 1 2226 216 216 TYR HD2 H 6.900 0.013 1 2227 216 216 TYR C C 175.669 0.023 1 2228 216 216 TYR CA C 58.606 0.069 1 2229 216 216 TYR CB C 40.867 0.086 1 2230 216 216 TYR CD1 C 132.773 0.074 1 2231 216 216 TYR CD2 C 132.773 0.074 1 2232 216 216 TYR N N 124.618 0.154 1 2233 217 217 GLY H H 7.695 0.009 1 2234 217 217 GLY HA2 H 3.338 0.020 1 2235 217 217 GLY HA3 H 4.011 0.016 1 2236 217 217 GLY C C 173.553 0.031 1 2237 217 217 GLY CA C 45.289 0.082 1 2238 217 217 GLY N N 116.089 0.000 1 2239 218 218 ASN H H 8.237 0.012 1 2240 218 218 ASN HA H 4.666 0.010 1 2241 218 218 ASN HB2 H 2.949 0.002 2 2242 218 218 ASN HB3 H 2.949 0.001 2 2243 218 218 ASN C C 175.339 0.027 1 2244 218 218 ASN CA C 53.616 0.137 1 2245 218 218 ASN CB C 38.573 0.033 1 2246 218 218 ASN N N 120.167 0.000 1 2247 219 219 GLY H H 8.027 0.020 1 2248 219 219 GLY HA2 H 3.661 0.001 1 2249 219 219 GLY HA3 H 4.001 0.010 1 2250 219 219 GLY C C 172.842 0.000 1 2251 219 219 GLY CA C 44.732 0.068 1 2252 219 219 GLY N N 109.322 0.000 1 2253 220 220 ASP H H 8.273 0.000 1 2254 220 220 ASP N N 123.006 0.000 1 2255 221 221 PRO HB2 H 2.298 0.000 2 2256 221 221 PRO C C 177.138 0.000 1 2257 221 221 PRO CA C 57.063 0.000 1 2258 221 221 PRO CB C 31.694 0.050 1 2259 222 222 GLN H H 8.240 0.023 1 2260 222 222 GLN HA H 4.336 0.017 1 2261 222 222 GLN HB2 H 2.092 0.028 2 2262 222 222 GLN HB3 H 2.154 0.008 2 2263 222 222 GLN HG2 H 2.314 0.008 2 2264 222 222 GLN HG3 H 2.314 0.008 2 2265 222 222 GLN C C 176.321 0.066 1 2266 222 222 GLN CA C 57.179 0.038 1 2267 222 222 GLN CB C 29.476 0.101 1 2268 222 222 GLN CG C 36.542 0.006 1 2269 222 222 GLN CD C 180.291 0.000 1 2270 222 222 GLN N N 116.718 0.001 1 2271 223 223 ASN H H 7.946 0.017 1 2272 223 223 ASN HA H 4.916 0.000 1 2273 223 223 ASN HB2 H 2.731 0.037 2 2274 223 223 ASN HB3 H 2.767 0.006 2 2275 223 223 ASN C C 173.286 0.058 1 2276 223 223 ASN CA C 52.588 0.117 1 2277 223 223 ASN CB C 39.247 0.081 1 2278 223 223 ASN N N 118.368 0.077 1 2279 224 224 PHE H H 6.992 0.000 1 2280 224 224 PHE HA H 4.451 0.028 1 2281 224 224 PHE HB2 H 3.068 0.021 2 2282 224 224 PHE HB3 H 3.438 0.011 2 2283 224 224 PHE HE1 H 7.183 0.024 1 2284 224 224 PHE HE2 H 7.183 0.024 1 2285 224 224 PHE C C 172.897 0.000 1 2286 224 224 PHE CA C 58.015 0.457 1 2287 224 224 PHE CB C 39.710 0.083 1 2288 224 224 PHE CE1 C 131.021 0.013 1 2289 224 224 PHE CE2 C 131.021 0.013 1 2290 224 224 PHE N N 118.429 0.000 1 2291 225 225 LYS H H 7.710 0.018 1 2292 225 225 LYS HA H 4.430 0.000 1 2293 225 225 LYS HB2 H 1.785 0.024 2 2294 225 225 LYS HB3 H 1.786 0.022 2 2295 225 225 LYS HG2 H 1.208 0.000 2 2296 225 225 LYS HG3 H 1.208 0.000 2 2297 225 225 LYS HD2 H 1.592 0.027 2 2298 225 225 LYS HD3 H 1.592 0.027 2 2299 225 225 LYS HE2 H 2.958 0.006 2 2300 225 225 LYS HE3 H 2.958 0.006 2 2301 225 225 LYS C C 174.662 0.025 1 2302 225 225 LYS CA C 54.308 0.248 1 2303 225 225 LYS CB C 34.681 0.151 1 2304 225 225 LYS CG C 22.221 0.000 1 2305 225 225 LYS CD C 29.161 0.051 1 2306 225 225 LYS CE C 41.894 0.001 1 2307 225 225 LYS N N 121.714 0.000 1 2308 226 226 LEU H H 8.014 0.029 1 2309 226 226 LEU HA H 4.140 0.041 1 2310 226 226 LEU HB2 H 1.264 0.042 2 2311 226 226 LEU HB3 H 1.554 0.025 2 2312 226 226 LEU HD1 H 0.279 0.019 1 2313 226 226 LEU HD2 H -0.331 0.035 1 2314 226 226 LEU C C 177.493 0.014 1 2315 226 226 LEU CA C 55.566 0.071 1 2316 226 226 LEU CB C 41.087 0.209 1 2317 226 226 LEU CD1 C 25.793 0.061 1 2318 226 226 LEU CD2 C 20.450 0.055 1 2319 226 226 LEU N N 119.026 0.011 1 2320 227 227 SER H H 9.654 0.010 1 2321 227 227 SER HA H 4.600 0.037 1 2322 227 227 SER HB2 H 4.042 0.028 2 2323 227 227 SER HB3 H 4.335 0.027 2 2324 227 227 SER C C 175.492 0.000 1 2325 227 227 SER CA C 57.227 0.213 1 2326 227 227 SER CB C 66.274 0.054 1 2327 227 227 SER N N 120.320 0.050 1 2328 228 228 GLN H H 8.248 0.010 1 2329 228 228 GLN HA H 4.694 0.000 1 2330 228 228 GLN HB2 H 2.765 0.000 2 2331 228 228 GLN HB3 H 2.765 0.000 2 2332 228 228 GLN N N 127.511 0.113 1 2333 229 229 ASP H H 8.138 0.043 1 2334 229 229 ASP HA H 4.374 0.000 1 2335 229 229 ASP HB2 H 2.300 0.000 2 2336 229 229 ASP HB3 H 2.529 0.000 2 2337 229 229 ASP C C 178.794 0.005 1 2338 229 229 ASP CA C 58.135 0.022 1 2339 229 229 ASP CB C 43.257 0.036 1 2340 229 229 ASP N N 124.358 0.000 1 2341 230 230 ASP H H 7.393 0.022 1 2342 230 230 ASP HA H 4.422 0.018 1 2343 230 230 ASP HB2 H 2.526 0.026 2 2344 230 230 ASP HB3 H 2.825 0.026 2 2345 230 230 ASP C C 177.736 0.000 1 2346 230 230 ASP CA C 57.896 0.036 1 2347 230 230 ASP CB C 43.239 0.105 1 2348 230 230 ASP N N 119.694 0.134 1 2349 231 231 ILE H H 8.115 0.030 1 2350 231 231 ILE HA H 3.665 0.025 1 2351 231 231 ILE HB H 1.690 0.028 1 2352 231 231 ILE HG12 H 0.719 0.024 2 2353 231 231 ILE HG13 H 0.719 0.024 2 2354 231 231 ILE HG2 H 0.846 0.027 1 2355 231 231 ILE HD1 H 0.712 0.023 1 2356 231 231 ILE C C 177.631 0.013 1 2357 231 231 ILE CA C 65.499 0.054 1 2358 231 231 ILE CB C 38.498 0.067 1 2359 231 231 ILE CG1 C 30.779 0.199 1 2360 231 231 ILE CG2 C 16.911 0.091 1 2361 231 231 ILE CD1 C 13.600 0.058 1 2362 231 231 ILE N N 120.364 0.043 1 2363 232 232 LYS H H 8.607 0.036 1 2364 232 232 LYS HA H 4.114 0.024 1 2365 232 232 LYS HB2 H 1.900 0.026 2 2366 232 232 LYS HG2 H 1.506 0.024 2 2367 232 232 LYS HG3 H 1.652 0.023 2 2368 232 232 LYS HD2 H 1.766 0.000 2 2369 232 232 LYS HD3 H 1.766 0.000 2 2370 232 232 LYS HE2 H 2.966 0.000 2 2371 232 232 LYS HE3 H 2.966 0.000 2 2372 232 232 LYS C C 180.574 0.003 1 2373 232 232 LYS CA C 59.520 0.048 1 2374 232 232 LYS CB C 31.813 0.083 1 2375 232 232 LYS CG C 24.954 0.079 1 2376 232 232 LYS CD C 29.225 0.000 1 2377 232 232 LYS CE C 42.254 0.002 1 2378 232 232 LYS N N 119.156 0.059 1 2379 233 233 GLY H H 8.075 0.028 1 2380 233 233 GLY HA2 H 3.920 0.023 1 2381 233 233 GLY HA3 H 3.920 0.023 1 2382 233 233 GLY C C 176.098 0.004 1 2383 233 233 GLY CA C 47.634 0.082 1 2384 233 233 GLY N N 106.425 0.062 1 2385 234 234 ILE H H 8.539 0.031 1 2386 234 234 ILE HB H 2.548 0.024 1 2387 234 234 ILE HG12 H 1.687 0.023 2 2388 234 234 ILE HG13 H 2.066 0.034 2 2389 234 234 ILE HG2 H 1.633 0.015 1 2390 234 234 ILE HD1 H 0.921 0.024 1 2391 234 234 ILE C C 178.229 0.005 1 2392 234 234 ILE CA C 61.585 0.060 1 2393 234 234 ILE CB C 37.581 0.097 1 2394 234 234 ILE CG1 C 31.546 0.127 1 2395 234 234 ILE CG2 C 19.949 0.031 1 2396 234 234 ILE CD1 C 15.169 0.149 1 2397 234 234 ILE N N 125.119 0.146 1 2398 235 235 GLN H H 8.296 0.027 1 2399 235 235 GLN HA H 4.357 0.000 1 2400 235 235 GLN HB2 H 1.728 0.000 2 2401 235 235 GLN HB3 H 1.728 0.000 2 2402 235 235 GLN HG2 H 2.540 0.000 2 2403 235 235 GLN HG3 H 2.918 0.018 2 2404 235 235 GLN C C 180.106 0.006 1 2405 235 235 GLN CA C 57.882 0.130 1 2406 235 235 GLN CB C 27.454 0.097 1 2407 235 235 GLN CG C 34.354 0.056 1 2408 235 235 GLN N N 122.877 0.078 1 2409 236 236 LYS H H 8.024 0.024 1 2410 236 236 LYS HA H 4.082 0.035 1 2411 236 236 LYS HB2 H 1.991 0.025 2 2412 236 236 LYS HB3 H 1.991 0.025 2 2413 236 236 LYS HG2 H 1.564 0.024 2 2414 236 236 LYS HG3 H 1.611 0.012 2 2415 236 236 LYS HD2 H 1.717 0.027 2 2416 236 236 LYS HD3 H 1.752 0.000 2 2417 236 236 LYS HE2 H 3.033 0.011 2 2418 236 236 LYS HE3 H 3.033 0.011 2 2419 236 236 LYS C C 178.167 0.009 1 2420 236 236 LYS CA C 59.347 0.083 1 2421 236 236 LYS CB C 31.944 0.019 1 2422 236 236 LYS CG C 25.072 0.029 1 2423 236 236 LYS CD C 28.975 0.000 1 2424 236 236 LYS CE C 41.991 0.000 1 2425 236 236 LYS N N 123.678 0.122 1 2426 237 237 LEU H H 6.888 0.027 1 2427 237 237 LEU HA H 3.987 0.030 1 2428 237 237 LEU HB2 H 0.652 0.029 2 2429 237 237 LEU HB3 H 1.901 0.017 2 2430 237 237 LEU HG H 1.598 0.019 1 2431 237 237 LEU HD1 H 0.814 0.020 1 2432 237 237 LEU HD2 H 0.710 0.023 1 2433 237 237 LEU C C 177.895 0.060 1 2434 237 237 LEU CA C 57.402 0.065 1 2435 237 237 LEU CB C 43.610 0.105 1 2436 237 237 LEU CG C 26.613 0.132 1 2437 237 237 LEU CD1 C 25.080 0.041 1 2438 237 237 LEU CD2 C 22.798 0.063 1 2439 237 237 LEU N N 116.873 0.074 1 2440 238 238 TYR H H 7.445 0.017 1 2441 238 238 TYR HA H 4.651 0.019 1 2442 238 238 TYR HB2 H 2.703 0.015 2 2443 238 238 TYR HB3 H 3.347 0.022 2 2444 238 238 TYR HD1 H 7.424 0.019 1 2445 238 238 TYR HD2 H 7.424 0.019 1 2446 238 238 TYR HE1 H 6.940 0.015 1 2447 238 238 TYR HE2 H 6.940 0.015 1 2448 238 238 TYR HH H 10.054 0.000 1 2449 238 238 TYR C C 176.079 0.007 1 2450 238 238 TYR CA C 59.626 0.136 1 2451 238 238 TYR CB C 41.363 0.114 1 2452 238 238 TYR CD1 C 134.163 0.183 1 2453 238 238 TYR CD2 C 134.163 0.183 1 2454 238 238 TYR CE1 C 118.222 0.002 1 2455 238 238 TYR CE2 C 118.222 0.002 1 2456 238 238 TYR N N 112.237 0.040 1 2457 239 239 GLY H H 8.443 0.014 1 2458 239 239 GLY HA2 H 3.866 0.023 1 2459 239 239 GLY HA3 H 4.381 0.035 1 2460 239 239 GLY C C 171.269 0.002 1 2461 239 239 GLY CA C 43.848 0.090 1 2462 239 239 GLY N N 110.906 0.008 1 2463 240 240 LYS H H 7.873 0.023 1 2464 240 240 LYS HA H 4.738 0.000 1 2465 240 240 LYS HB2 H 1.656 0.019 2 2466 240 240 LYS HG2 H 1.354 0.008 2 2467 240 240 LYS HG3 H 1.354 0.008 2 2468 240 240 LYS HD2 H 1.702 0.004 2 2469 240 240 LYS HD3 H 1.702 0.004 2 2470 240 240 LYS HE2 H 2.841 0.000 2 2471 240 240 LYS HE3 H 3.033 0.002 2 2472 240 240 LYS C C 177.527 0.026 1 2473 240 240 LYS CA C 54.952 0.208 1 2474 240 240 LYS CB C 34.285 0.027 1 2475 240 240 LYS CG C 24.564 0.000 1 2476 240 240 LYS CD C 28.845 0.002 1 2477 240 240 LYS CE C 42.060 0.096 1 2478 240 240 LYS N N 114.281 0.032 1 2479 241 241 ARG H H 7.742 0.037 1 2480 241 241 ARG HA H 3.997 0.007 1 2481 241 241 ARG HB2 H 1.432 0.011 2 2482 241 241 ARG HB3 H 1.662 0.020 2 2483 241 241 ARG HG2 H 1.441 0.011 2 2484 241 241 ARG HG3 H 1.441 0.011 2 2485 241 241 ARG HD2 H 3.252 0.011 2 2486 241 241 ARG HD3 H 3.252 0.011 2 2487 241 241 ARG C C 176.026 0.000 1 2488 241 241 ARG CA C 57.441 0.097 1 2489 241 241 ARG CB C 30.361 0.161 1 2490 241 241 ARG CG C 27.875 0.050 1 2491 241 241 ARG CD C 42.834 0.043 1 2492 241 241 ARG N N 123.758 0.141 1 2493 242 242 SER H H 9.170 0.000 1 2494 242 242 SER N N 135.650 0.000 1 2495 246 246 LYS HA H 4.340 0.000 1 2496 246 246 LYS HB2 H 1.768 0.000 2 2497 246 246 LYS HB3 H 1.768 0.000 2 2498 246 246 LYS HG2 H 1.773 0.009 2 2499 246 246 LYS HG3 H 1.764 0.000 2 2500 246 246 LYS HE2 H 3.028 0.000 2 2501 246 246 LYS HE3 H 3.028 0.000 2 2502 246 246 LYS C C 175.403 0.000 1 2503 246 246 LYS CA C 56.510 0.135 1 2504 246 246 LYS CB C 32.823 0.083 1 2505 246 246 LYS CG C 24.414 0.091 1 2506 246 246 LYS CD C 28.854 0.000 1 2507 246 246 LYS CE C 42.026 0.000 1 2508 247 247 LYS H H 7.891 0.000 1 2509 247 247 LYS HA H 3.778 0.000 1 2510 247 247 LYS C C 181.103 0.000 1 2511 247 247 LYS CA C 57.829 0.156 1 2512 247 247 LYS CB C 33.185 0.451 1 2513 247 247 LYS CE C 36.098 0.000 1 2514 247 247 LYS N N 128.815 0.000 1 stop_ save_