data_34471 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Haddock model of NDM-1/morin complex ; _BMRB_accession_number 34471 _BMRB_flat_file_name bmr34471.str _Entry_type original _Submission_date 2019-12-25 _Accession_date 2019-12-25 _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 Riviere G. . . 2 Oueslati S. . . 3 Gayral M. . . 4 Crechet J. B. . 5 Nhiri N. . . 6 Jacquet E. . . 7 Cintrat J. C. . 8 Giraud F. . . 9 'van Heijenoort' C. . . 10 Lescop E. . . 11 Pethe S. . . 12 Iorga B. I. . 13 Naas T. . . 14 Guittet E. . . 15 Morellet N. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 206 "13C chemical shifts" 581 "15N chemical shifts" 206 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2021-01-06 original BMRB . stop_ _Original_release_date 2020-07-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NDM-1: a local clone emerges with worldwide aspirations. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21366414 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marra A. . . stop_ _Journal_abbreviation 'Future Microbiol.' _Journal_volume 6 _Journal_issue 2 _Journal_ISSN 1746-0921 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 137 _Page_last 141 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Metallo beta lactamase NDM-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 unit_2 $entity_ZN unit_3 $entity_ZN unit_4 $entity_MRI stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 23974.957 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 227 _Mol_residue_sequence ; DQRFGDLVFRQLAPNVWQHT SYLDMPGFGAVASNGLIVRD GGRVLVVDTAWTDDQTAQIL NWIKQEINLPVALAVVTHAH QDKMGGMDALHAAGIATYAN ALSNQLAPQEGMVAAQHSLT FAANGWVEPATAPNFGPLKV FYPGPGHTSDNITVGIDGTD IAFGGCLIKDSKAKSLGNLG DADTEHYAASARAFGAAFPK ASMIVMSHSAPDSRAAITHT ARMADKL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 43 ASP 2 44 GLN 3 45 ARG 4 46 PHE 5 47 GLY 6 48 ASP 7 49 LEU 8 50 VAL 9 51 PHE 10 52 ARG 11 53 GLN 12 54 LEU 13 55 ALA 14 56 PRO 15 57 ASN 16 58 VAL 17 59 TRP 18 60 GLN 19 61 HIS 20 62 THR 21 63 SER 22 64 TYR 23 65 LEU 24 66 ASP 25 67 MET 26 68 PRO 27 69 GLY 28 70 PHE 29 71 GLY 30 72 ALA 31 73 VAL 32 74 ALA 33 75 SER 34 76 ASN 35 77 GLY 36 78 LEU 37 79 ILE 38 80 VAL 39 81 ARG 40 82 ASP 41 83 GLY 42 84 GLY 43 85 ARG 44 86 VAL 45 87 LEU 46 88 VAL 47 89 VAL 48 90 ASP 49 91 THR 50 92 ALA 51 93 TRP 52 94 THR 53 95 ASP 54 96 ASP 55 97 GLN 56 98 THR 57 99 ALA 58 100 GLN 59 101 ILE 60 102 LEU 61 103 ASN 62 104 TRP 63 105 ILE 64 106 LYS 65 107 GLN 66 108 GLU 67 109 ILE 68 110 ASN 69 111 LEU 70 112 PRO 71 113 VAL 72 114 ALA 73 115 LEU 74 116 ALA 75 117 VAL 76 118 VAL 77 119 THR 78 120 HIS 79 121 ALA 80 122 HIS 81 123 GLN 82 124 ASP 83 125 LYS 84 126 MET 85 127 GLY 86 128 GLY 87 129 MET 88 130 ASP 89 131 ALA 90 132 LEU 91 133 HIS 92 134 ALA 93 135 ALA 94 136 GLY 95 137 ILE 96 138 ALA 97 139 THR 98 140 TYR 99 141 ALA 100 142 ASN 101 143 ALA 102 144 LEU 103 145 SER 104 146 ASN 105 147 GLN 106 148 LEU 107 149 ALA 108 150 PRO 109 151 GLN 110 152 GLU 111 153 GLY 112 154 MET 113 155 VAL 114 156 ALA 115 157 ALA 116 158 GLN 117 159 HIS 118 160 SER 119 161 LEU 120 162 THR 121 163 PHE 122 164 ALA 123 165 ALA 124 166 ASN 125 167 GLY 126 168 TRP 127 169 VAL 128 170 GLU 129 171 PRO 130 172 ALA 131 173 THR 132 174 ALA 133 175 PRO 134 176 ASN 135 177 PHE 136 178 GLY 137 179 PRO 138 180 LEU 139 181 LYS 140 182 VAL 141 183 PHE 142 184 TYR 143 185 PRO 144 186 GLY 145 187 PRO 146 188 GLY 147 189 HIS 148 190 THR 149 191 SER 150 192 ASP 151 193 ASN 152 194 ILE 153 195 THR 154 196 VAL 155 197 GLY 156 198 ILE 157 199 ASP 158 200 GLY 159 201 THR 160 202 ASP 161 203 ILE 162 204 ALA 163 205 PHE 164 206 GLY 165 207 GLY 166 208 CYS 167 209 LEU 168 210 ILE 169 211 LYS 170 212 ASP 171 213 SER 172 214 LYS 173 215 ALA 174 216 LYS 175 217 SER 176 218 LEU 177 219 GLY 178 220 ASN 179 221 LEU 180 222 GLY 181 223 ASP 182 224 ALA 183 225 ASP 184 226 THR 185 227 GLU 186 228 HIS 187 229 TYR 188 230 ALA 189 231 ALA 190 232 SER 191 233 ALA 192 234 ARG 193 235 ALA 194 236 PHE 195 237 GLY 196 238 ALA 197 239 ALA 198 240 PHE 199 241 PRO 200 242 LYS 201 243 ALA 202 244 SER 203 245 MET 204 246 ILE 205 247 VAL 206 248 MET 207 249 SER 208 250 HIS 209 251 SER 210 252 ALA 211 253 PRO 212 254 ASP 213 255 SER 214 256 ARG 215 257 ALA 216 258 ALA 217 259 ILE 218 260 THR 219 261 HIS 220 262 THR 221 263 ALA 222 264 ARG 223 265 MET 224 266 ALA 225 267 ASP 226 268 LYS 227 269 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (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_ save_MRI _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MRI (2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one)" _BMRB_code MRI _PDB_code MRI _Molecular_mass 302.236 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OAB OAB O . 0 . ? CAM CAM C . 0 . ? CAN CAN C . 0 . ? OAD OAD O . 0 . ? CAI CAI C . 0 . ? CAO CAO C . 0 . ? OAC OAC O . 0 . ? CAS CAS C . 0 . ? CAR CAR C . 0 . ? OAF OAF O . 0 . ? CAP CAP C . 0 . ? CAJ CAJ C . 0 . ? OAA OAA O . 0 . ? CAK CAK C . 0 . ? CAL CAL C . 0 . ? CAT CAT C . 0 . ? CAV CAV C . 0 . ? CAW CAW C . 0 . ? OAG OAG O . 0 . ? CAU CAU C . 0 . ? CAQ CAQ C . 0 . ? OAE OAE O . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING OAC CAO ? ? DOUB OAD CAN ? ? DOUB CAO CAS ? ? SING CAO CAI ? ? SING CAN CAI ? ? SING CAN CAM ? ? SING CAS CAR ? ? SING OAB CAM ? ? DOUB CAI CAJ ? ? DOUB CAM CAK ? ? SING CAR OAF ? ? DOUB CAR CAP ? ? SING CAJ CAP ? ? SING CAJ OAA ? ? SING CAK OAA ? ? SING CAK CAL ? ? SING OAE CAQ ? ? DOUB CAL CAQ ? ? SING CAL CAT ? ? SING CAQ CAU ? ? DOUB CAT CAV ? ? DOUB CAU CAW ? ? SING CAV CAW ? ? SING CAW OAG ? ? SING OAB H1 ? ? SING OAC H2 ? ? SING CAS H3 ? ? SING OAF H4 ? ? SING CAP H5 ? ? SING CAT H6 ? ? SING CAV H7 ? ? SING OAG H8 ? ? SING CAU H9 ? ? SING OAE H10 ? ? 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 _Details $entity_1 . 573 . . Klebsiella pneumoniae ; blaNDM-1, bla NDM-1, blaNDM-1_1, blaNDM-1_2, blaNDM-1_3, blaNDM1, NDM-1, BANRA_05884, C3483_29595, C7V41_28630, D647_p47098, EC13450_007, FAQ72_26810, FAQ97_27095, FAS39_27275, NCTC13443_00040, p2146_00143, pCRE380_21, PMK1_ndm00067, PMK1_ndm00076, PMK1_ndm00085, pN11x00042NDM_090, pNDM-SX04_5, pNDM10469_138, SAMEA3531848_05178, TR3_031, TR4_031 ; 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '320 uM [U-13C; U-15N] NDM-1, 1280 uM morin, 0.1 mM Bis-tris, 150 mM sodium chloride, 2.5 % DMSO, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 320 uM '[U-13C; U-15N]' morin 1280 uM 'natural abundance' Bis-tris 0.1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DMSO 2.5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'CcpNmr Analysis' _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name HADDOCK _Version . loop_ _Vendor _Address _Electronic_address Bonvin . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.0 0.05 pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 'carbonyl carbon' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 protons ppm 0.000 internal indirect . . . 1.0 DSS N 15 nitrogen ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_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 43 1 ASP C C 176.213 . . 2 43 1 ASP CA C 54.613 . . 3 43 1 ASP CB C 41.144 . . 4 44 2 GLN H H 9.184 . . 5 44 2 GLN C C 175.016 . . 6 44 2 GLN CA C 54.623 . . 7 44 2 GLN CB C 30.797 . . 8 44 2 GLN N N 121.872 . . 9 45 3 ARG H H 8.857 . . 10 45 3 ARG C C 176.146 . . 11 45 3 ARG CA C 55.550 . . 12 45 3 ARG CB C 30.822 . . 13 45 3 ARG N N 124.823 . . 14 46 4 PHE H H 8.724 . . 15 46 4 PHE C C 174.507 . . 16 46 4 PHE CA C 57.295 . . 17 46 4 PHE CB C 41.244 . . 18 46 4 PHE N N 127.693 . . 19 47 5 GLY H H 8.677 . . 20 47 5 GLY C C 175.234 . . 21 47 5 GLY CA C 46.770 . . 22 47 5 GLY N N 116.063 . . 23 48 6 ASP H H 9.307 . . 24 48 6 ASP C C 175.453 . . 25 48 6 ASP CA C 54.649 . . 26 48 6 ASP CB C 41.165 . . 27 48 6 ASP N N 126.614 . . 28 49 7 LEU H H 8.473 . . 29 49 7 LEU C C 176.688 . . 30 49 7 LEU CA C 54.143 . . 31 49 7 LEU CB C 45.679 . . 32 49 7 LEU N N 123.765 . . 33 50 8 VAL H H 8.120 . . 34 50 8 VAL CA C 60.854 . . 35 50 8 VAL CB C 35.703 . . 36 50 8 VAL N N 119.031 . . 37 51 9 PHE H H 8.890 . . 38 51 9 PHE C C 173.755 . . 39 51 9 PHE CA C 55.976 . . 40 51 9 PHE CB C 43.049 . . 41 51 9 PHE N N 122.853 . . 42 52 10 ARG H H 8.592 . . 43 52 10 ARG C C 175.016 . . 44 52 10 ARG CA C 54.441 . . 45 52 10 ARG CB C 29.706 . . 46 52 10 ARG N N 120.881 . . 47 53 11 GLN H H 9.654 . . 48 53 11 GLN C C 175.217 . . 49 53 11 GLN CA C 57.264 . . 50 53 11 GLN N N 130.304 . . 51 54 12 LEU H H 8.854 . . 52 54 12 LEU C C 175.536 . . 53 54 12 LEU CA C 54.798 . . 54 54 12 LEU CB C 43.579 . . 55 54 12 LEU N N 127.573 . . 56 55 13 ALA H H 8.361 . . 57 55 13 ALA CA C 50.009 . . 58 55 13 ALA CB C 18.852 . . 59 55 13 ALA N N 121.657 . . 60 57 15 ASN C C 173.886 . . 61 57 15 ASN CA C 52.391 . . 62 58 16 VAL H H 7.082 . . 63 58 16 VAL C C 173.807 . . 64 58 16 VAL CA C 61.483 . . 65 58 16 VAL N N 115.897 . . 66 59 17 TRP H H 9.990 . . 67 59 17 TRP C C 173.540 . . 68 59 17 TRP CA C 56.867 . . 69 59 17 TRP N N 128.068 . . 70 60 18 GLN H H 9.737 . . 71 60 18 GLN C C 176.195 . . 72 60 18 GLN CA C 53.806 . . 73 60 18 GLN N N 122.596 . . 74 61 19 HIS H H 8.152 . . 75 61 19 HIS C C 173.624 . . 76 61 19 HIS CA C 53.115 . . 77 61 19 HIS CB C 34.960 . . 78 61 19 HIS N N 127.247 . . 79 62 20 THR H H 8.613 . . 80 62 20 THR C C 171.756 . . 81 62 20 THR CA C 61.734 . . 82 62 20 THR CB C 71.286 . . 83 62 20 THR N N 118.182 . . 84 63 21 SER H H 8.560 . . 85 63 21 SER C C 173.723 . . 86 63 21 SER CA C 55.941 . . 87 63 21 SER CB C 66.988 . . 88 63 21 SER N N 118.549 . . 89 64 22 TYR H H 9.193 . . 90 64 22 TYR C C 174.999 . . 91 64 22 TYR CA C 57.208 . . 92 64 22 TYR CB C 42.391 . . 93 64 22 TYR N N 118.549 . . 94 65 23 LEU H H 7.920 . . 95 65 23 LEU C C 175.363 . . 96 65 23 LEU CA C 53.048 . . 97 65 23 LEU CB C 43.282 . . 98 65 23 LEU N N 123.984 . . 99 66 24 ASP H H 8.223 . . 100 66 24 ASP C C 175.355 . . 101 66 24 ASP CA C 54.031 . . 102 66 24 ASP CB C 40.712 . . 103 66 24 ASP N N 126.272 . . 104 67 25 MET H H 8.403 . . 105 67 25 MET CA C 51.938 . . 106 67 25 MET CB C 34.042 . . 107 67 25 MET N N 125.485 . . 108 68 26 PRO C C 176.534 . . 109 68 26 PRO CA C 60.856 . . 110 68 26 PRO CB C 32.078 . . 111 69 27 GLY H H 8.489 . . 112 69 27 GLY C C 174.122 . . 113 69 27 GLY CA C 45.071 . . 114 69 27 GLY N N 113.398 . . 115 70 28 PHE H H 8.171 . . 116 70 28 PHE C C 175.923 . . 117 70 28 PHE CA C 58.467 . . 118 70 28 PHE CB C 41.561 . . 119 70 28 PHE N N 118.409 . . 120 71 29 GLY H H 8.242 . . 121 71 29 GLY C C 172.585 . . 122 71 29 GLY CA C 44.255 . . 123 71 29 GLY N N 108.933 . . 124 72 30 ALA H H 8.186 . . 125 72 30 ALA C C 177.921 . . 126 72 30 ALA CA C 52.036 . . 127 72 30 ALA CB C 18.680 . . 128 72 30 ALA N N 123.760 . . 129 73 31 VAL H H 8.743 . . 130 73 31 VAL C C 175.407 . . 131 73 31 VAL CA C 62.164 . . 132 73 31 VAL CB C 33.097 . . 133 73 31 VAL N N 125.989 . . 134 74 32 ALA H H 8.614 . . 135 74 32 ALA C C 178.683 . . 136 74 32 ALA CA C 51.194 . . 137 74 32 ALA CB C 20.707 . . 138 74 32 ALA N N 129.350 . . 139 75 33 SER H H 9.033 . . 140 75 33 SER C C 174.469 . . 141 75 33 SER CA C 57.426 . . 142 75 33 SER N N 114.444 . . 143 76 34 ASN H H 9.140 . . 144 76 34 ASN C C 175.069 . . 145 76 34 ASN CA C 50.735 . . 146 76 34 ASN N N 129.322 . . 147 77 35 GLY H H 7.942 . . 148 77 35 GLY C C 173.756 . . 149 77 35 GLY CA C 42.825 . . 150 77 35 GLY N N 108.153 . . 151 78 36 LEU H H 8.850 . . 152 78 36 LEU C C 175.659 . . 153 78 36 LEU CA C 52.864 . . 154 78 36 LEU CB C 48.181 . . 155 78 36 LEU N N 116.151 . . 156 79 37 ILE H H 9.486 . . 157 79 37 ILE C C 174.674 . . 158 79 37 ILE CA C 60.763 . . 159 79 37 ILE CB C 41.178 . . 160 79 37 ILE N N 121.095 . . 161 80 38 VAL H H 9.558 . . 162 80 38 VAL C C 175.210 . . 163 80 38 VAL CA C 59.982 . . 164 80 38 VAL CB C 36.006 . . 165 80 38 VAL N N 126.269 . . 166 81 39 ARG H H 9.598 . . 167 81 39 ARG C C 173.688 . . 168 81 39 ARG CA C 55.587 . . 169 81 39 ARG N N 128.650 . . 170 82 40 ASP H H 9.057 . . 171 82 40 ASP C C 175.527 . . 172 82 40 ASP CA C 51.815 . . 173 82 40 ASP CB C 43.696 . . 174 82 40 ASP N N 129.405 . . 175 83 41 GLY H H 8.864 . . 176 83 41 GLY C C 174.588 . . 177 83 41 GLY CA C 47.448 . . 178 83 41 GLY N N 113.340 . . 179 84 42 GLY H H 8.630 . . 180 84 42 GLY C C 172.958 . . 181 84 42 GLY CA C 45.694 . . 182 84 42 GLY N N 115.835 . . 183 85 43 ARG H H 7.714 . . 184 85 43 ARG C C 172.905 . . 185 85 43 ARG CA C 53.679 . . 186 85 43 ARG CB C 32.925 . . 187 85 43 ARG N N 116.915 . . 188 86 44 VAL H H 8.877 . . 189 86 44 VAL C C 173.515 . . 190 86 44 VAL CA C 59.998 . . 191 86 44 VAL CB C 33.984 . . 192 86 44 VAL N N 118.741 . . 193 87 45 LEU H H 9.580 . . 194 87 45 LEU C C 175.411 . . 195 87 45 LEU CA C 52.697 . . 196 87 45 LEU CB C 43.557 . . 197 87 45 LEU N N 125.861 . . 198 88 46 VAL H H 8.184 . . 199 88 46 VAL C C 173.769 . . 200 88 46 VAL CA C 61.047 . . 201 88 46 VAL CB C 35.041 . . 202 88 46 VAL N N 122.253 . . 203 89 47 VAL H H 9.198 . . 204 89 47 VAL C C 175.921 . . 205 89 47 VAL CA C 60.968 . . 206 89 47 VAL CB C 32.510 . . 207 89 47 VAL N N 126.610 . . 208 90 48 ASP H H 9.057 . . 209 90 48 ASP C C 175.033 . . 210 90 48 ASP CA C 58.166 . . 211 90 48 ASP N N 118.830 . . 212 91 49 THR H H 7.600 . . 213 91 49 THR C C 171.248 . . 214 91 49 THR CA C 60.014 . . 215 91 49 THR CB C 67.656 . . 216 91 49 THR N N 105.796 . . 217 92 50 ALA H H 6.629 . . 218 92 50 ALA C C 177.757 . . 219 92 50 ALA CA C 50.241 . . 220 92 50 ALA CB C 22.016 . . 221 92 50 ALA N N 113.498 . . 222 93 51 TRP H H 7.077 . . 223 93 51 TRP C C 177.002 . . 224 93 51 TRP CA C 59.531 . . 225 93 51 TRP CB C 29.447 . . 226 93 51 TRP N N 113.683 . . 227 94 52 THR H H 7.092 . . 228 94 52 THR C C 177.390 . . 229 94 52 THR CA C 57.568 . . 230 94 52 THR CB C 73.562 . . 231 94 52 THR N N 98.411 . . 232 95 53 ASP H H 9.357 . . 233 95 53 ASP C C 178.003 . . 234 95 53 ASP CA C 58.269 . . 235 95 53 ASP CB C 40.591 . . 236 95 53 ASP N N 125.951 . . 237 96 54 ASP H H 8.730 . . 238 96 54 ASP C C 179.678 . . 239 96 54 ASP CA C 57.514 . . 240 96 54 ASP CB C 40.737 . . 241 96 54 ASP N N 119.892 . . 242 97 55 GLN H H 7.847 . . 243 97 55 GLN C C 178.356 . . 244 97 55 GLN CA C 58.123 . . 245 97 55 GLN CB C 28.582 . . 246 97 55 GLN N N 116.747 . . 247 98 56 THR H H 8.038 . . 248 98 56 THR C C 175.842 . . 249 98 56 THR CA C 67.024 . . 250 98 56 THR CB C 69.789 . . 251 98 56 THR N N 117.117 . . 252 99 57 ALA H H 8.826 . . 253 99 57 ALA C C 180.502 . . 254 99 57 ALA CA C 55.343 . . 255 99 57 ALA CB C 17.219 . . 256 99 57 ALA N N 124.829 . . 257 100 58 GLN H H 7.589 . . 258 100 58 GLN C C 178.939 . . 259 100 58 GLN CA C 59.448 . . 260 100 58 GLN CB C 28.531 . . 261 100 58 GLN N N 116.940 . . 262 101 59 ILE H H 7.771 . . 263 101 59 ILE C C 177.899 . . 264 101 59 ILE CA C 66.459 . . 265 101 59 ILE CB C 37.073 . . 266 101 59 ILE N N 120.518 . . 267 102 60 LEU H H 7.558 . . 268 102 60 LEU C C 180.273 . . 269 102 60 LEU CA C 57.483 . . 270 102 60 LEU N N 116.103 . . 271 103 61 ASN H H 8.204 . . 272 103 61 ASN C C 177.017 . . 273 103 61 ASN CA C 55.520 . . 274 103 61 ASN CB C 37.469 . . 275 103 61 ASN N N 119.913 . . 276 104 62 TRP H H 8.466 . . 277 104 62 TRP C C 177.241 . . 278 104 62 TRP CA C 62.318 . . 279 104 62 TRP CB C 30.171 . . 280 104 62 TRP N N 125.147 . . 281 105 63 ILE H H 8.469 . . 282 105 63 ILE C C 178.353 . . 283 105 63 ILE CA C 65.364 . . 284 105 63 ILE CB C 37.834 . . 285 105 63 ILE N N 117.878 . . 286 106 64 LYS H H 7.676 . . 287 106 64 LYS C C 176.591 . . 288 106 64 LYS CA C 59.226 . . 289 106 64 LYS CB C 31.606 . . 290 106 64 LYS N N 120.583 . . 291 107 65 GLN H H 7.324 . . 292 107 65 GLN C C 177.272 . . 293 107 65 GLN CA C 58.060 . . 294 107 65 GLN CB C 29.746 . . 295 107 65 GLN N N 114.931 . . 296 108 66 GLU H H 8.098 . . 297 108 66 GLU C C 176.657 . . 298 108 66 GLU CA C 56.438 . . 299 108 66 GLU CB C 28.921 . . 300 108 66 GLU N N 115.293 . . 301 109 67 ILE H H 7.387 . . 302 109 67 ILE C C 176.334 . . 303 109 67 ILE CA C 61.942 . . 304 109 67 ILE CB C 38.791 . . 305 109 67 ILE N N 117.561 . . 306 110 68 ASN H H 8.714 . . 307 110 68 ASN CA C 53.407 . . 308 110 68 ASN CB C 36.257 . . 309 110 68 ASN N N 115.206 . . 310 111 69 LEU H H 6.227 . . 311 111 69 LEU N N 115.568 . . 312 112 70 PRO C C 175.812 . . 313 112 70 PRO CA C 61.863 . . 314 112 70 PRO CB C 32.051 . . 315 113 71 VAL H H 8.509 . . 316 113 71 VAL C C 175.987 . . 317 113 71 VAL CA C 60.907 . . 318 113 71 VAL CB C 30.134 . . 319 113 71 VAL N N 121.473 . . 320 114 72 ALA H H 9.148 . . 321 114 72 ALA C C 178.047 . . 322 114 72 ALA CA C 53.668 . . 323 114 72 ALA CB C 21.451 . . 324 114 72 ALA N N 129.319 . . 325 115 73 LEU H H 7.375 . . 326 115 73 LEU C C 173.632 . . 327 115 73 LEU CA C 53.938 . . 328 115 73 LEU CB C 43.141 . . 329 115 73 LEU N N 110.370 . . 330 116 74 ALA H H 8.814 . . 331 116 74 ALA C C 175.335 . . 332 116 74 ALA CA C 49.190 . . 333 116 74 ALA CB C 23.811 . . 334 116 74 ALA N N 120.098 . . 335 117 75 VAL H H 8.890 . . 336 117 75 VAL C C 173.640 . . 337 117 75 VAL CA C 58.719 . . 338 117 75 VAL CB C 34.859 . . 339 117 75 VAL N N 121.610 . . 340 118 76 VAL H H 8.303 . . 341 118 76 VAL CA C 58.378 . . 342 118 76 VAL CB C 33.496 . . 343 118 76 VAL N N 118.899 . . 344 119 77 THR H H 10.633 . . 345 119 77 THR C C 177.495 . . 346 119 77 THR CA C 65.246 . . 347 119 77 THR CB C 70.138 . . 348 119 77 THR N N 111.924 . . 349 120 78 HIS H H 6.890 . . 350 120 78 HIS C C 172.312 . . 351 120 78 HIS CA C 58.067 . . 352 120 78 HIS CB C 29.515 . . 353 120 78 HIS N N 107.318 . . 354 121 79 ALA H H 8.733 . . 355 121 79 ALA C C 175.798 . . 356 121 79 ALA CA C 51.428 . . 357 121 79 ALA CB C 17.002 . . 358 121 79 ALA N N 121.372 . . 359 122 80 HIS H H 7.253 . . 360 122 80 HIS C C 177.333 . . 361 122 80 HIS CA C 52.168 . . 362 122 80 HIS CB C 37.303 . . 363 122 80 HIS N N 117.917 . . 364 123 81 GLN H H 9.577 . . 365 123 81 GLN C C 174.737 . . 366 123 81 GLN CA C 59.336 . . 367 123 81 GLN CB C 33.037 . . 368 123 81 GLN N N 123.361 . . 369 124 82 ASP H H 9.029 . . 370 124 82 ASP CA C 54.985 . . 371 124 82 ASP N N 107.995 . . 372 126 84 MET C C 176.929 . . 373 126 84 MET CA C 55.012 . . 374 127 85 GLY H H 7.880 . . 375 127 85 GLY C C 174.007 . . 376 127 85 GLY CA C 47.115 . . 377 127 85 GLY N N 111.648 . . 378 128 86 GLY H H 8.062 . . 379 128 86 GLY C C 175.680 . . 380 128 86 GLY CA C 44.333 . . 381 128 86 GLY N N 104.801 . . 382 129 87 MET H H 6.640 . . 383 129 87 MET C C 178.352 . . 384 129 87 MET CA C 56.623 . . 385 129 87 MET N N 115.962 . . 386 130 88 ASP H H 8.931 . . 387 130 88 ASP C C 179.174 . . 388 130 88 ASP CA C 57.803 . . 389 130 88 ASP CB C 40.341 . . 390 130 88 ASP N N 117.268 . . 391 131 89 ALA H H 7.693 . . 392 131 89 ALA C C 180.976 . . 393 131 89 ALA CA C 54.578 . . 394 131 89 ALA CB C 18.596 . . 395 131 89 ALA N N 121.326 . . 396 132 90 LEU H H 7.152 . . 397 132 90 LEU C C 179.223 . . 398 132 90 LEU CA C 57.168 . . 399 132 90 LEU N N 114.882 . . 400 133 91 HIS H H 8.340 . . 401 133 91 HIS C C 180.370 . . 402 133 91 HIS CA C 56.787 . . 403 133 91 HIS CB C 27.804 . . 404 133 91 HIS N N 120.011 . . 405 134 92 ALA H H 8.881 . . 406 134 92 ALA C C 178.656 . . 407 134 92 ALA CA C 54.468 . . 408 134 92 ALA CB C 17.554 . . 409 134 92 ALA N N 124.401 . . 410 135 93 ALA H H 7.069 . . 411 135 93 ALA C C 177.589 . . 412 135 93 ALA CA C 51.326 . . 413 135 93 ALA CB C 19.239 . . 414 135 93 ALA N N 117.991 . . 415 136 94 GLY H H 7.997 . . 416 136 94 GLY C C 174.384 . . 417 136 94 GLY CA C 45.798 . . 418 136 94 GLY N N 107.714 . . 419 137 95 ILE H H 7.641 . . 420 137 95 ILE C C 175.049 . . 421 137 95 ILE CA C 61.039 . . 422 137 95 ILE CB C 38.635 . . 423 137 95 ILE N N 121.953 . . 424 138 96 ALA H H 7.806 . . 425 138 96 ALA C C 177.332 . . 426 138 96 ALA CA C 52.102 . . 427 138 96 ALA CB C 19.974 . . 428 138 96 ALA N N 130.189 . . 429 139 97 THR H H 7.322 . . 430 139 97 THR C C 174.207 . . 431 139 97 THR CA C 59.169 . . 432 139 97 THR N N 109.099 . . 433 140 98 TYR H H 8.929 . . 434 140 98 TYR C C 174.016 . . 435 140 98 TYR CA C 56.892 . . 436 140 98 TYR CB C 42.800 . . 437 140 98 TYR N N 119.564 . . 438 141 99 ALA H H 8.194 . . 439 141 99 ALA CA C 50.353 . . 440 141 99 ALA CB C 23.744 . . 441 141 99 ALA N N 119.135 . . 442 142 100 ASN H H 10.316 . . 443 142 100 ASN C C 176.310 . . 444 142 100 ASN CA C 53.972 . . 445 142 100 ASN N N 120.029 . . 446 143 101 ALA H H 9.370 . . 447 143 101 ALA C C 180.458 . . 448 143 101 ALA CA C 55.727 . . 449 143 101 ALA CB C 18.427 . . 450 143 101 ALA N N 133.816 . . 451 144 102 LEU H H 7.442 . . 452 144 102 LEU C C 179.326 . . 453 144 102 LEU CA C 57.023 . . 454 144 102 LEU CB C 41.786 . . 455 144 102 LEU N N 114.489 . . 456 145 103 SER H H 7.455 . . 457 145 103 SER C C 175.590 . . 458 145 103 SER CA C 60.838 . . 459 145 103 SER N N 114.334 . . 460 146 104 ASN H H 7.353 . . 461 146 104 ASN C C 176.933 . . 462 146 104 ASN CA C 54.832 . . 463 146 104 ASN CB C 36.903 . . 464 146 104 ASN N N 117.436 . . 465 147 105 GLN H H 7.491 . . 466 147 105 GLN C C 178.217 . . 467 147 105 GLN CA C 57.584 . . 468 147 105 GLN CB C 28.858 . . 469 147 105 GLN N N 119.082 . . 470 148 106 LEU H H 7.835 . . 471 148 106 LEU C C 178.874 . . 472 148 106 LEU CA C 56.577 . . 473 148 106 LEU N N 118.666 . . 474 149 107 ALA H H 8.126 . . 475 149 107 ALA CA C 57.527 . . 476 149 107 ALA CB C 14.433 . . 477 149 107 ALA N N 119.590 . . 478 150 108 PRO C C 180.430 . . 479 150 108 PRO CA C 65.294 . . 480 150 108 PRO CB C 30.532 . . 481 151 109 GLN H H 7.465 . . 482 151 109 GLN C C 177.348 . . 483 151 109 GLN CA C 57.723 . . 484 151 109 GLN CB C 28.084 . . 485 151 109 GLN N N 116.555 . . 486 152 110 GLU H H 7.601 . . 487 152 110 GLU C C 176.527 . . 488 152 110 GLU CA C 54.425 . . 489 152 110 GLU CB C 30.014 . . 490 152 110 GLU N N 116.654 . . 491 153 111 GLY H H 7.685 . . 492 153 111 GLY C C 174.571 . . 493 153 111 GLY CA C 45.781 . . 494 153 111 GLY N N 106.492 . . 495 154 112 MET H H 7.947 . . 496 154 112 MET C C 174.243 . . 497 154 112 MET CA C 53.148 . . 498 154 112 MET CB C 36.228 . . 499 154 112 MET N N 118.870 . . 500 155 113 VAL H H 8.350 . . 501 155 113 VAL C C 173.911 . . 502 155 113 VAL CA C 61.792 . . 503 155 113 VAL CB C 32.971 . . 504 155 113 VAL N N 123.354 . . 505 156 114 ALA H H 7.823 . . 506 156 114 ALA C C 178.583 . . 507 156 114 ALA CA C 51.849 . . 508 156 114 ALA CB C 19.161 . . 509 156 114 ALA N N 123.349 . . 510 157 115 ALA H H 7.686 . . 511 157 115 ALA C C 176.501 . . 512 157 115 ALA CA C 51.163 . . 513 157 115 ALA CB C 19.415 . . 514 157 115 ALA N N 118.936 . . 515 158 116 GLN H H 8.602 . . 516 158 116 GLN C C 176.392 . . 517 158 116 GLN CA C 57.031 . . 518 158 116 GLN CB C 28.796 . . 519 158 116 GLN N N 118.135 . . 520 159 117 HIS H H 7.918 . . 521 159 117 HIS C C 175.531 . . 522 159 117 HIS CA C 53.904 . . 523 159 117 HIS CB C 32.665 . . 524 159 117 HIS N N 114.157 . . 525 160 118 SER H H 9.152 . . 526 160 118 SER C C 174.080 . . 527 160 118 SER CA C 57.209 . . 528 160 118 SER CB C 64.807 . . 529 160 118 SER N N 118.982 . . 530 161 119 LEU H H 9.271 . . 531 161 119 LEU C C 175.939 . . 532 161 119 LEU CA C 53.253 . . 533 161 119 LEU CB C 43.378 . . 534 161 119 LEU N N 125.973 . . 535 162 120 THR H H 7.499 . . 536 162 120 THR C C 172.461 . . 537 162 120 THR CA C 59.931 . . 538 162 120 THR CB C 70.398 . . 539 162 120 THR N N 112.522 . . 540 163 121 PHE H H 8.754 . . 541 163 121 PHE C C 175.482 . . 542 163 121 PHE CA C 57.695 . . 543 163 121 PHE CB C 41.616 . . 544 163 121 PHE N N 118.179 . . 545 164 122 ALA H H 8.771 . . 546 164 122 ALA C C 179.108 . . 547 164 122 ALA CA C 51.091 . . 548 164 122 ALA CB C 19.879 . . 549 164 122 ALA N N 124.811 . . 550 165 123 ALA H H 8.994 . . 551 165 123 ALA C C 178.582 . . 552 165 123 ALA CA C 54.734 . . 553 165 123 ALA N N 124.248 . . 554 166 124 ASN H H 7.755 . . 555 166 124 ASN C C 175.935 . . 556 166 124 ASN CA C 52.133 . . 557 166 124 ASN CB C 37.087 . . 558 166 124 ASN N N 112.016 . . 559 167 125 GLY H H 8.078 . . 560 167 125 GLY C C 174.304 . . 561 167 125 GLY CA C 45.749 . . 562 167 125 GLY N N 107.290 . . 563 168 126 TRP H H 7.736 . . 564 168 126 TRP C C 175.837 . . 565 168 126 TRP CA C 57.812 . . 566 168 126 TRP CB C 29.625 . . 567 168 126 TRP N N 121.418 . . 568 169 127 VAL H H 8.213 . . 569 169 127 VAL C C 174.628 . . 570 169 127 VAL CA C 61.676 . . 571 169 127 VAL CB C 32.435 . . 572 169 127 VAL N N 121.924 . . 573 170 128 GLU H H 8.740 . . 574 170 128 GLU CA C 53.973 . . 575 170 128 GLU CB C 28.262 . . 576 170 128 GLU N N 128.436 . . 577 171 129 PRO C C 178.616 . . 578 171 129 PRO CA C 65.366 . . 579 171 129 PRO CB C 31.866 . . 580 172 130 ALA H H 8.768 . . 581 172 130 ALA C C 179.276 . . 582 172 130 ALA CA C 54.226 . . 583 172 130 ALA CB C 18.292 . . 584 172 130 ALA N N 118.486 . . 585 173 131 THR H H 7.963 . . 586 173 131 THR C C 172.176 . . 587 173 131 THR CA C 60.937 . . 588 173 131 THR CB C 70.024 . . 589 173 131 THR N N 104.913 . . 590 174 132 ALA H H 6.893 . . 591 174 132 ALA CA C 48.856 . . 592 174 132 ALA CB C 18.555 . . 593 174 132 ALA N N 124.101 . . 594 175 133 PRO C C 177.140 . . 595 175 133 PRO CA C 62.342 . . 596 175 133 PRO CB C 31.542 . . 597 176 134 ASN H H 8.751 . . 598 176 134 ASN C C 177.539 . . 599 176 134 ASN CA C 53.167 . . 600 176 134 ASN CB C 36.889 . . 601 176 134 ASN N N 115.937 . . 602 177 135 PHE H H 8.191 . . 603 177 135 PHE C C 176.716 . . 604 177 135 PHE CA C 58.330 . . 605 177 135 PHE CB C 38.117 . . 606 177 135 PHE N N 121.926 . . 607 178 136 GLY H H 8.431 . . 608 178 136 GLY CA C 44.786 . . 609 178 136 GLY N N 107.961 . . 610 179 137 PRO C C 176.136 . . 611 179 137 PRO CA C 62.707 . . 612 179 137 PRO CB C 32.521 . . 613 180 138 LEU H H 7.811 . . 614 180 138 LEU C C 175.911 . . 615 180 138 LEU CA C 55.229 . . 616 180 138 LEU CB C 40.745 . . 617 180 138 LEU N N 119.383 . . 618 181 139 LYS H H 9.130 . . 619 181 139 LYS C C 176.029 . . 620 181 139 LYS CA C 53.949 . . 621 181 139 LYS CB C 32.813 . . 622 181 139 LYS N N 127.194 . . 623 182 140 VAL H H 8.571 . . 624 182 140 VAL C C 173.316 . . 625 182 140 VAL CA C 63.067 . . 626 182 140 VAL CB C 32.465 . . 627 182 140 VAL N N 124.292 . . 628 183 141 PHE H H 8.828 . . 629 183 141 PHE C C 174.403 . . 630 183 141 PHE CA C 56.011 . . 631 183 141 PHE N N 127.710 . . 632 184 142 TYR H H 9.286 . . 633 184 142 TYR CA C 52.076 . . 634 184 142 TYR N N 133.577 . . 635 187 145 PRO C C 177.752 . . 636 187 145 PRO CA C 61.995 . . 637 188 146 GLY H H 7.607 . . 638 188 146 GLY C C 171.629 . . 639 188 146 GLY CA C 46.975 . . 640 188 146 GLY N N 107.891 . . 641 189 147 HIS H H 7.198 . . 642 189 147 HIS C C 173.531 . . 643 189 147 HIS CA C 60.370 . . 644 189 147 HIS N N 131.969 . . 645 190 148 THR H H 7.449 . . 646 190 148 THR C C 177.010 . . 647 190 148 THR CA C 59.462 . . 648 190 148 THR CB C 72.487 . . 649 190 148 THR N N 102.681 . . 650 191 149 SER H H 9.514 . . 651 191 149 SER C C 174.158 . . 652 191 149 SER CA C 61.405 . . 653 191 149 SER CB C 62.561 . . 654 191 149 SER N N 115.921 . . 655 192 150 ASP H H 9.301 . . 656 192 150 ASP C C 174.728 . . 657 192 150 ASP CA C 52.593 . . 658 192 150 ASP CB C 40.115 . . 659 192 150 ASP N N 113.581 . . 660 193 151 ASN H H 6.632 . . 661 193 151 ASN C C 175.334 . . 662 193 151 ASN CA C 54.206 . . 663 193 151 ASN N N 116.155 . . 664 194 152 ILE H H 8.489 . . 665 194 152 ILE C C 175.037 . . 666 194 152 ILE CA C 59.848 . . 667 194 152 ILE N N 113.400 . . 668 195 153 THR H H 8.937 . . 669 195 153 THR C C 173.040 . . 670 195 153 THR CA C 59.998 . . 671 195 153 THR N N 110.762 . . 672 196 154 VAL H H 8.443 . . 673 196 154 VAL C C 173.734 . . 674 196 154 VAL CA C 60.318 . . 675 196 154 VAL CB C 37.158 . . 676 196 154 VAL N N 116.101 . . 677 197 155 GLY H H 9.716 . . 678 197 155 GLY C C 172.034 . . 679 197 155 GLY CA C 43.059 . . 680 197 155 GLY N N 116.716 . . 681 198 156 ILE H H 7.038 . . 682 198 156 ILE C C 175.869 . . 683 198 156 ILE CA C 59.218 . . 684 198 156 ILE CB C 35.295 . . 685 198 156 ILE N N 118.873 . . 686 199 157 ASP H H 9.749 . . 687 199 157 ASP C C 176.240 . . 688 199 157 ASP CA C 56.165 . . 689 199 157 ASP CB C 41.386 . . 690 199 157 ASP N N 131.129 . . 691 200 158 GLY H H 8.581 . . 692 200 158 GLY C C 173.862 . . 693 200 158 GLY CA C 44.922 . . 694 200 158 GLY N N 110.261 . . 695 201 159 THR H H 7.875 . . 696 201 159 THR C C 173.834 . . 697 201 159 THR CA C 59.656 . . 698 201 159 THR CB C 72.331 . . 699 201 159 THR N N 108.679 . . 700 202 160 ASP H H 8.878 . . 701 202 160 ASP C C 175.446 . . 702 202 160 ASP CA C 53.362 . . 703 202 160 ASP CB C 40.837 . . 704 202 160 ASP N N 119.120 . . 705 203 161 ILE H H 8.352 . . 706 203 161 ILE C C 176.671 . . 707 203 161 ILE CA C 61.413 . . 708 203 161 ILE CB C 39.799 . . 709 203 161 ILE N N 119.064 . . 710 204 162 ALA H H 8.585 . . 711 204 162 ALA C C 173.909 . . 712 204 162 ALA CA C 51.448 . . 713 204 162 ALA CB C 21.428 . . 714 204 162 ALA N N 127.765 . . 715 205 163 PHE H H 9.824 . . 716 205 163 PHE C C 174.553 . . 717 205 163 PHE CA C 55.076 . . 718 205 163 PHE CB C 40.842 . . 719 205 163 PHE N N 122.608 . . 720 206 164 GLY H H 8.980 . . 721 206 164 GLY CA C 43.880 . . 722 206 164 GLY N N 112.031 . . 723 207 165 GLY C C 172.087 . . 724 207 165 GLY CA C 46.507 . . 725 208 166 CYS H H 8.196 . . 726 208 166 CYS C C 174.299 . . 727 208 166 CYS CA C 58.210 . . 728 208 166 CYS N N 124.850 . . 729 209 167 LEU H H 6.928 . . 730 209 167 LEU CA C 56.403 . . 731 209 167 LEU CB C 42.809 . . 732 209 167 LEU N N 115.917 . . 733 210 168 ILE H H 5.692 . . 734 210 168 ILE C C 175.329 . . 735 210 168 ILE CA C 56.538 . . 736 210 168 ILE N N 115.104 . . 737 211 169 LYS H H 8.205 . . 738 211 169 LYS C C 174.611 . . 739 211 169 LYS CA C 52.758 . . 740 211 169 LYS N N 124.928 . . 741 212 170 ASP H H 6.946 . . 742 212 170 ASP C C 175.742 . . 743 212 170 ASP CA C 53.758 . . 744 212 170 ASP CB C 41.884 . . 745 212 170 ASP N N 111.955 . . 746 213 171 SER H H 8.779 . . 747 213 171 SER C C 173.486 . . 748 213 171 SER CA C 60.747 . . 749 213 171 SER CB C 62.769 . . 750 213 171 SER N N 110.154 . . 751 214 172 LYS H H 8.077 . . 752 214 172 LYS C C 176.978 . . 753 214 172 LYS CA C 54.581 . . 754 214 172 LYS CB C 31.859 . . 755 214 172 LYS N N 119.379 . . 756 215 173 ALA H H 7.639 . . 757 215 173 ALA CA C 53.103 . . 758 215 173 ALA CB C 20.107 . . 759 215 173 ALA N N 125.020 . . 760 216 174 LYS C C 176.136 . . 761 216 174 LYS CA C 55.918 . . 762 217 175 SER H H 7.594 . . 763 217 175 SER C C 173.819 . . 764 217 175 SER CA C 56.442 . . 765 217 175 SER CB C 65.338 . . 766 217 175 SER N N 111.784 . . 767 218 176 LEU H H 8.989 . . 768 218 176 LEU CA C 54.812 . . 769 218 176 LEU N N 120.019 . . 770 219 177 GLY H H 8.203 . . 771 219 177 GLY C C 175.174 . . 772 219 177 GLY CA C 44.958 . . 773 219 177 GLY N N 105.835 . . 774 221 179 LEU C C 179.054 . . 775 221 179 LEU CA C 53.649 . . 776 221 179 LEU CB C 41.741 . . 777 222 180 GLY H H 8.580 . . 778 222 180 GLY C C 174.422 . . 779 222 180 GLY CA C 47.691 . . 780 222 180 GLY N N 109.772 . . 781 223 181 ASP H H 8.212 . . 782 223 181 ASP C C 174.928 . . 783 223 181 ASP CA C 52.967 . . 784 223 181 ASP CB C 42.219 . . 785 223 181 ASP N N 117.853 . . 786 224 182 ALA H H 7.222 . . 787 224 182 ALA C C 177.295 . . 788 224 182 ALA CA C 51.856 . . 789 224 182 ALA CB C 21.202 . . 790 224 182 ALA N N 121.536 . . 791 225 183 ASP H H 8.420 . . 792 225 183 ASP C C 176.564 . . 793 225 183 ASP CA C 51.708 . . 794 225 183 ASP CB C 41.010 . . 795 225 183 ASP N N 119.999 . . 796 226 184 THR H H 8.370 . . 797 226 184 THR C C 175.809 . . 798 226 184 THR CA C 64.707 . . 799 226 184 THR CB C 67.639 . . 800 226 184 THR N N 113.874 . . 801 227 185 GLU H H 7.989 . . 802 227 185 GLU C C 178.091 . . 803 227 185 GLU CA C 58.003 . . 804 227 185 GLU CB C 29.172 . . 805 227 185 GLU N N 120.968 . . 806 228 186 HIS H H 7.628 . . 807 228 186 HIS C C 174.450 . . 808 228 186 HIS CA C 56.901 . . 809 228 186 HIS N N 113.619 . . 810 229 187 TYR H H 7.370 . . 811 229 187 TYR C C 178.314 . . 812 229 187 TYR CA C 61.148 . . 813 229 187 TYR N N 120.481 . . 814 230 188 ALA H H 8.977 . . 815 230 188 ALA C C 178.742 . . 816 230 188 ALA CA C 56.686 . . 817 230 188 ALA CB C 18.363 . . 818 230 188 ALA N N 121.156 . . 819 231 189 ALA H H 7.994 . . 820 231 189 ALA C C 181.414 . . 821 231 189 ALA CA C 54.599 . . 822 231 189 ALA CB C 17.681 . . 823 231 189 ALA N N 119.262 . . 824 232 190 SER H H 8.575 . . 825 232 190 SER C C 176.352 . . 826 232 190 SER CA C 60.370 . . 827 232 190 SER CB C 61.719 . . 828 232 190 SER N N 118.841 . . 829 233 191 ALA H H 8.698 . . 830 233 191 ALA C C 179.084 . . 831 233 191 ALA CA C 55.644 . . 832 233 191 ALA CB C 16.713 . . 833 233 191 ALA N N 123.475 . . 834 234 192 ARG H H 8.124 . . 835 234 192 ARG C C 179.565 . . 836 234 192 ARG CA C 60.025 . . 837 234 192 ARG CB C 29.317 . . 838 234 192 ARG N N 114.607 . . 839 235 193 ALA H H 8.695 . . 840 235 193 ALA C C 180.399 . . 841 235 193 ALA CA C 54.854 . . 842 235 193 ALA CB C 17.481 . . 843 235 193 ALA N N 124.402 . . 844 236 194 PHE H H 8.003 . . 845 236 194 PHE C C 175.554 . . 846 236 194 PHE CA C 60.351 . . 847 236 194 PHE N N 118.361 . . 848 237 195 GLY H H 7.592 . . 849 237 195 GLY C C 175.132 . . 850 237 195 GLY CA C 47.618 . . 851 237 195 GLY N N 102.731 . . 852 238 196 ALA H H 7.649 . . 853 238 196 ALA C C 178.510 . . 854 238 196 ALA CA C 52.847 . . 855 238 196 ALA CB C 18.033 . . 856 238 196 ALA N N 120.412 . . 857 239 197 ALA H H 7.319 . . 858 239 197 ALA CA C 53.327 . . 859 239 197 ALA CB C 16.366 . . 860 239 197 ALA N N 121.663 . . 861 240 198 PHE H H 6.172 . . 862 240 198 PHE N N 111.905 . . 863 241 199 PRO C C 177.579 . . 864 241 199 PRO CA C 64.522 . . 865 241 199 PRO CB C 32.080 . . 866 242 200 LYS H H 8.544 . . 867 242 200 LYS C C 176.578 . . 868 242 200 LYS CA C 54.804 . . 869 242 200 LYS CB C 32.048 . . 870 242 200 LYS N N 116.600 . . 871 243 201 ALA H H 6.946 . . 872 243 201 ALA C C 176.371 . . 873 243 201 ALA CA C 53.144 . . 874 243 201 ALA CB C 18.764 . . 875 243 201 ALA N N 123.142 . . 876 244 202 SER H H 8.291 . . 877 244 202 SER C C 173.687 . . 878 244 202 SER CA C 57.237 . . 879 244 202 SER CB C 64.424 . . 880 244 202 SER N N 115.883 . . 881 245 203 MET H H 8.365 . . 882 245 203 MET C C 172.498 . . 883 245 203 MET CA C 54.995 . . 884 245 203 MET CB C 34.036 . . 885 245 203 MET N N 125.483 . . 886 246 204 ILE H H 9.192 . . 887 246 204 ILE C C 174.408 . . 888 246 204 ILE CA C 56.801 . . 889 246 204 ILE N N 127.384 . . 890 247 205 VAL H H 8.733 . . 891 247 205 VAL C C 174.615 . . 892 247 205 VAL CA C 60.656 . . 893 247 205 VAL N N 127.908 . . 894 248 206 MET H H 10.122 . . 895 248 206 MET C C 175.034 . . 896 248 206 MET CA C 54.052 . . 897 248 206 MET CB C 38.331 . . 898 248 206 MET N N 128.324 . . 899 249 207 SER H H 7.296 . . 900 249 207 SER C C 175.857 . . 901 249 207 SER CA C 59.772 . . 902 249 207 SER CB C 62.497 . . 903 249 207 SER N N 112.318 . . 904 250 208 HIS H H 8.196 . . 905 250 208 HIS C C 173.983 . . 906 250 208 HIS CA C 54.054 . . 907 250 208 HIS CB C 28.563 . . 908 250 208 HIS N N 112.436 . . 909 251 209 SER H H 7.100 . . 910 251 209 SER C C 171.674 . . 911 251 209 SER CA C 57.352 . . 912 251 209 SER CB C 67.432 . . 913 251 209 SER N N 113.318 . . 914 252 210 ALA H H 8.388 . . 915 252 210 ALA CA C 51.302 . . 916 252 210 ALA CB C 16.777 . . 917 252 210 ALA N N 125.466 . . 918 253 211 PRO C C 175.901 . . 919 253 211 PRO CA C 63.753 . . 920 253 211 PRO CB C 31.785 . . 921 254 212 ASP H H 8.743 . . 922 254 212 ASP C C 174.979 . . 923 254 212 ASP CA C 50.956 . . 924 254 212 ASP CB C 46.328 . . 925 254 212 ASP N N 121.723 . . 926 255 213 SER H H 9.252 . . 927 255 213 SER C C 175.105 . . 928 255 213 SER CA C 56.654 . . 929 255 213 SER CB C 65.171 . . 930 255 213 SER N N 115.650 . . 931 256 214 ARG H H 8.563 . . 932 256 214 ARG CA C 60.307 . . 933 256 214 ARG N N 114.997 . . 934 257 215 ALA C C 179.375 . . 935 257 215 ALA CA C 55.527 . . 936 258 216 ALA H H 8.019 . . 937 258 216 ALA C C 180.186 . . 938 258 216 ALA CA C 55.880 . . 939 258 216 ALA CB C 19.481 . . 940 258 216 ALA N N 119.332 . . 941 259 217 ILE H H 7.838 . . 942 259 217 ILE C C 177.359 . . 943 259 217 ILE CA C 65.722 . . 944 259 217 ILE CB C 37.786 . . 945 259 217 ILE N N 118.412 . . 946 260 218 THR H H 7.231 . . 947 260 218 THR C C 176.844 . . 948 260 218 THR CA C 65.394 . . 949 260 218 THR CB C 68.440 . . 950 260 218 THR N N 112.969 . . 951 261 219 HIS H H 8.672 . . 952 261 219 HIS C C 177.289 . . 953 261 219 HIS CA C 59.591 . . 954 261 219 HIS CB C 31.721 . . 955 261 219 HIS N N 121.188 . . 956 262 220 THR H H 8.104 . . 957 262 220 THR C C 175.674 . . 958 262 220 THR CA C 68.208 . . 959 262 220 THR N N 115.367 . . 960 263 221 ALA H H 8.387 . . 961 263 221 ALA C C 177.943 . . 962 263 221 ALA CA C 55.844 . . 963 263 221 ALA CB C 17.799 . . 964 263 221 ALA N N 121.749 . . 965 264 222 ARG H H 8.036 . . 966 264 222 ARG C C 180.408 . . 967 264 222 ARG CA C 59.224 . . 968 264 222 ARG CB C 29.467 . . 969 264 222 ARG N N 117.118 . . 970 265 223 MET H H 8.116 . . 971 265 223 MET C C 179.538 . . 972 265 223 MET CA C 59.548 . . 973 265 223 MET N N 119.254 . . 974 266 224 ALA H H 8.462 . . 975 266 224 ALA C C 180.413 . . 976 266 224 ALA CA C 54.071 . . 977 266 224 ALA CB C 16.265 . . 978 266 224 ALA N N 122.353 . . 979 267 225 ASP H H 8.807 . . 980 267 225 ASP C C 178.692 . . 981 267 225 ASP CA C 57.200 . . 982 267 225 ASP CB C 39.940 . . 983 267 225 ASP N N 124.833 . . 984 268 226 LYS H H 7.243 . . 985 268 226 LYS C C 178.300 . . 986 268 226 LYS CA C 58.469 . . 987 268 226 LYS CB C 31.556 . . 988 268 226 LYS N N 118.218 . . 989 269 227 LEU H H 7.507 . . 990 269 227 LEU C C 178.457 . . 991 269 227 LEU CA C 56.586 . . 992 269 227 LEU CB C 42.106 . . 993 269 227 LEU N N 118.116 . . stop_ save_