data_34472 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Haddock model of NDM-1/myricetin complex ; _BMRB_accession_number 34472 _BMRB_flat_file_name bmr34472.str _Entry_type original _Submission_date 2019-12-26 _Accession_date 2019-12-26 _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_MYC 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 24032.010 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 228 _Mol_residue_sequence ; GDQRFGDLVFRQLAPNVWQH TSYLDMPGFGAVASNGLIVR DGGRVLVVDTAWTDDQTAQI LNWIKQEINLPVALAVVTHA HQDKMGGMDALHAAGIATYA NALSNQLAPQEGMVAAQHSL TFAANGWVEPATAPNFGPLK VFYPGPGHTSDNITVGIDGT DIAFGGCLIKDSKAKSLGNL GDADTEHYAASARAFGAAFP KASMIVMSHSAPDSRAAITH TARMADKL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 42 GLY 2 43 ASP 3 44 GLN 4 45 ARG 5 46 PHE 6 47 GLY 7 48 ASP 8 49 LEU 9 50 VAL 10 51 PHE 11 52 ARG 12 53 GLN 13 54 LEU 14 55 ALA 15 56 PRO 16 57 ASN 17 58 VAL 18 59 TRP 19 60 GLN 20 61 HIS 21 62 THR 22 63 SER 23 64 TYR 24 65 LEU 25 66 ASP 26 67 MET 27 68 PRO 28 69 GLY 29 70 PHE 30 71 GLY 31 72 ALA 32 73 VAL 33 74 ALA 34 75 SER 35 76 ASN 36 77 GLY 37 78 LEU 38 79 ILE 39 80 VAL 40 81 ARG 41 82 ASP 42 83 GLY 43 84 GLY 44 85 ARG 45 86 VAL 46 87 LEU 47 88 VAL 48 89 VAL 49 90 ASP 50 91 THR 51 92 ALA 52 93 TRP 53 94 THR 54 95 ASP 55 96 ASP 56 97 GLN 57 98 THR 58 99 ALA 59 100 GLN 60 101 ILE 61 102 LEU 62 103 ASN 63 104 TRP 64 105 ILE 65 106 LYS 66 107 GLN 67 108 GLU 68 109 ILE 69 110 ASN 70 111 LEU 71 112 PRO 72 113 VAL 73 114 ALA 74 115 LEU 75 116 ALA 76 117 VAL 77 118 VAL 78 119 THR 79 120 HIS 80 121 ALA 81 122 HIS 82 123 GLN 83 124 ASP 84 125 LYS 85 126 MET 86 127 GLY 87 128 GLY 88 129 MET 89 130 ASP 90 131 ALA 91 132 LEU 92 133 HIS 93 134 ALA 94 135 ALA 95 136 GLY 96 137 ILE 97 138 ALA 98 139 THR 99 140 TYR 100 141 ALA 101 142 ASN 102 143 ALA 103 144 LEU 104 145 SER 105 146 ASN 106 147 GLN 107 148 LEU 108 149 ALA 109 150 PRO 110 151 GLN 111 152 GLU 112 153 GLY 113 154 MET 114 155 VAL 115 156 ALA 116 157 ALA 117 158 GLN 118 159 HIS 119 160 SER 120 161 LEU 121 162 THR 122 163 PHE 123 164 ALA 124 165 ALA 125 166 ASN 126 167 GLY 127 168 TRP 128 169 VAL 129 170 GLU 130 171 PRO 131 172 ALA 132 173 THR 133 174 ALA 134 175 PRO 135 176 ASN 136 177 PHE 137 178 GLY 138 179 PRO 139 180 LEU 140 181 LYS 141 182 VAL 142 183 PHE 143 184 TYR 144 185 PRO 145 186 GLY 146 187 PRO 147 188 GLY 148 189 HIS 149 190 THR 150 191 SER 151 192 ASP 152 193 ASN 153 194 ILE 154 195 THR 155 196 VAL 156 197 GLY 157 198 ILE 158 199 ASP 159 200 GLY 160 201 THR 161 202 ASP 162 203 ILE 163 204 ALA 164 205 PHE 165 206 GLY 166 207 GLY 167 208 CYS 168 209 LEU 169 210 ILE 170 211 LYS 171 212 ASP 172 213 SER 173 214 LYS 174 215 ALA 175 216 LYS 176 217 SER 177 218 LEU 178 219 GLY 179 220 ASN 180 221 LEU 181 222 GLY 182 223 ASP 183 224 ALA 184 225 ASP 185 226 THR 186 227 GLU 187 228 HIS 188 229 TYR 189 230 ALA 190 231 ALA 191 232 SER 192 233 ALA 193 234 ARG 194 235 ALA 195 236 PHE 196 237 GLY 197 238 ALA 198 239 ALA 199 240 PHE 200 241 PRO 201 242 LYS 202 243 ALA 203 244 SER 204 245 MET 205 246 ILE 206 247 VAL 207 248 MET 208 249 SER 209 250 HIS 210 251 SER 211 252 ALA 212 253 PRO 213 254 ASP 214 255 SER 215 256 ARG 216 257 ALA 217 258 ALA 218 259 ILE 219 260 THR 220 261 HIS 221 262 THR 222 263 ALA 223 264 ARG 224 265 MET 225 266 ALA 226 267 ASP 227 268 LYS 228 269 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_MYC _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MYC (3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE)" _BMRB_code MYC _PDB_code MYC _Molecular_mass 318.235 _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 C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? O12 O12 O . 0 . ? O13 O13 O . 0 . ? O23 O23 O . 0 . ? O24 O24 O . 0 . ? O25 O25 O . 0 . ? O27 O27 O . 0 . ? O29 O29 O . 0 . ? O30 O30 O . 0 . ? H1 H1 H . 0 . ? H5 H5 H . 0 . ? H15 H15 H . 0 . ? H19 H19 H . 0 . ? HO3 HO3 H . 0 . ? HO4 HO4 H . 0 . ? HO5 HO5 H . 0 . ? HO7 HO7 H . 0 . ? HO9 HO9 H . 0 . ? HO0 HO0 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 DOUB C1 C2 ? ? SING C1 C6 ? ? SING C1 H1 ? ? SING C2 C3 ? ? SING C2 O30 ? ? DOUB C3 C4 ? ? SING C3 C9 ? ? SING C4 C5 ? ? SING C4 O12 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 O29 ? ? SING C9 C10 ? ? DOUB C9 O13 ? ? DOUB C10 C11 ? ? SING C10 O27 ? ? SING C11 C14 ? ? SING C11 O12 ? ? DOUB C14 C15 ? ? SING C14 C19 ? ? SING C15 C16 ? ? SING C15 H15 ? ? DOUB C16 C17 ? ? SING C16 O25 ? ? SING C17 C18 ? ? SING C17 O24 ? ? DOUB C18 C19 ? ? SING C18 O23 ? ? SING C19 H19 ? ? SING O23 HO3 ? ? SING O24 HO4 ? ? SING O25 HO5 ? ? SING O27 HO7 ? ? SING O29 HO9 ? ? SING O30 HO0 ? ? 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, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 320 uM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version 3.5 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' 'peak picking' 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 II' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _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_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_HNCOCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label $sample_1 save_ save_HNCOCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _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 . 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 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' 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' HNCACO HNCOCACB HNCOCA 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 2 ASP C C 176.213 . . 2 43 2 ASP CA C 54.613 . . 3 43 2 ASP CB C 41.144 . . 4 44 3 GLN H H 9.184 . . 5 44 3 GLN C C 175.016 . . 6 44 3 GLN CA C 54.623 . . 7 44 3 GLN CB C 30.797 . . 8 44 3 GLN N N 121.872 . . 9 45 4 ARG H H 8.857 . . 10 45 4 ARG C C 176.146 . . 11 45 4 ARG CA C 55.550 . . 12 45 4 ARG CB C 30.822 . . 13 45 4 ARG N N 124.823 . . 14 46 5 PHE H H 8.724 . . 15 46 5 PHE C C 174.507 . . 16 46 5 PHE CA C 57.295 . . 17 46 5 PHE CB C 41.244 . . 18 46 5 PHE N N 127.693 . . 19 47 6 GLY H H 8.677 . . 20 47 6 GLY C C 175.234 . . 21 47 6 GLY CA C 46.770 . . 22 47 6 GLY N N 116.063 . . 23 48 7 ASP H H 9.307 . . 24 48 7 ASP C C 175.453 . . 25 48 7 ASP CA C 54.649 . . 26 48 7 ASP CB C 41.165 . . 27 48 7 ASP N N 126.614 . . 28 49 8 LEU H H 8.473 . . 29 49 8 LEU C C 176.688 . . 30 49 8 LEU CA C 54.143 . . 31 49 8 LEU CB C 45.679 . . 32 49 8 LEU N N 123.765 . . 33 50 9 VAL H H 8.120 . . 34 50 9 VAL CA C 60.854 . . 35 50 9 VAL CB C 35.703 . . 36 50 9 VAL N N 119.031 . . 37 51 10 PHE H H 8.890 . . 38 51 10 PHE C C 173.755 . . 39 51 10 PHE CA C 55.976 . . 40 51 10 PHE CB C 43.049 . . 41 51 10 PHE N N 122.853 . . 42 52 11 ARG H H 8.592 . . 43 52 11 ARG C C 175.016 . . 44 52 11 ARG CA C 54.441 . . 45 52 11 ARG CB C 29.706 . . 46 52 11 ARG N N 120.881 . . 47 53 12 GLN H H 9.654 . . 48 53 12 GLN C C 175.217 . . 49 53 12 GLN CA C 57.264 . . 50 53 12 GLN N N 130.304 . . 51 54 13 LEU H H 8.854 . . 52 54 13 LEU C C 175.536 . . 53 54 13 LEU CA C 54.798 . . 54 54 13 LEU CB C 43.579 . . 55 54 13 LEU N N 127.573 . . 56 55 14 ALA H H 8.361 . . 57 55 14 ALA CA C 50.009 . . 58 55 14 ALA CB C 18.852 . . 59 55 14 ALA N N 121.657 . . 60 57 16 ASN C C 173.886 . . 61 57 16 ASN CA C 52.391 . . 62 58 17 VAL H H 7.082 . . 63 58 17 VAL C C 173.807 . . 64 58 17 VAL CA C 61.483 . . 65 58 17 VAL N N 115.897 . . 66 59 18 TRP H H 9.990 . . 67 59 18 TRP C C 173.540 . . 68 59 18 TRP CA C 56.867 . . 69 59 18 TRP N N 128.068 . . 70 60 19 GLN H H 9.737 . . 71 60 19 GLN C C 176.195 . . 72 60 19 GLN CA C 53.806 . . 73 60 19 GLN N N 122.596 . . 74 61 20 HIS H H 8.152 . . 75 61 20 HIS C C 173.624 . . 76 61 20 HIS CA C 53.115 . . 77 61 20 HIS CB C 34.960 . . 78 61 20 HIS N N 127.247 . . 79 62 21 THR H H 8.613 . . 80 62 21 THR C C 171.756 . . 81 62 21 THR CA C 61.734 . . 82 62 21 THR CB C 71.286 . . 83 62 21 THR N N 118.182 . . 84 63 22 SER H H 8.560 . . 85 63 22 SER C C 173.723 . . 86 63 22 SER CA C 55.941 . . 87 63 22 SER CB C 66.988 . . 88 63 22 SER N N 118.549 . . 89 64 23 TYR H H 9.193 . . 90 64 23 TYR C C 174.999 . . 91 64 23 TYR CA C 57.208 . . 92 64 23 TYR CB C 42.391 . . 93 64 23 TYR N N 118.549 . . 94 65 24 LEU H H 7.920 . . 95 65 24 LEU C C 175.363 . . 96 65 24 LEU CA C 53.048 . . 97 65 24 LEU CB C 43.282 . . 98 65 24 LEU N N 123.984 . . 99 66 25 ASP H H 8.223 . . 100 66 25 ASP C C 175.355 . . 101 66 25 ASP CA C 54.031 . . 102 66 25 ASP CB C 40.712 . . 103 66 25 ASP N N 126.272 . . 104 67 26 MET H H 8.403 . . 105 67 26 MET CA C 51.938 . . 106 67 26 MET CB C 34.042 . . 107 67 26 MET N N 125.485 . . 108 68 27 PRO C C 176.534 . . 109 68 27 PRO CA C 60.856 . . 110 68 27 PRO CB C 32.078 . . 111 69 28 GLY H H 8.489 . . 112 69 28 GLY C C 174.122 . . 113 69 28 GLY CA C 45.071 . . 114 69 28 GLY N N 113.398 . . 115 70 29 PHE H H 8.171 . . 116 70 29 PHE C C 175.923 . . 117 70 29 PHE CA C 58.467 . . 118 70 29 PHE CB C 41.561 . . 119 70 29 PHE N N 118.409 . . 120 71 30 GLY H H 8.242 . . 121 71 30 GLY C C 172.585 . . 122 71 30 GLY CA C 44.255 . . 123 71 30 GLY N N 108.933 . . 124 72 31 ALA H H 8.186 . . 125 72 31 ALA C C 177.921 . . 126 72 31 ALA CA C 52.036 . . 127 72 31 ALA CB C 18.680 . . 128 72 31 ALA N N 123.760 . . 129 73 32 VAL H H 8.743 . . 130 73 32 VAL C C 175.407 . . 131 73 32 VAL CA C 62.164 . . 132 73 32 VAL CB C 33.097 . . 133 73 32 VAL N N 125.989 . . 134 74 33 ALA H H 8.614 . . 135 74 33 ALA C C 178.683 . . 136 74 33 ALA CA C 51.194 . . 137 74 33 ALA CB C 20.707 . . 138 74 33 ALA N N 129.350 . . 139 75 34 SER H H 9.033 . . 140 75 34 SER C C 174.469 . . 141 75 34 SER CA C 57.426 . . 142 75 34 SER N N 114.444 . . 143 76 35 ASN H H 9.140 . . 144 76 35 ASN C C 175.069 . . 145 76 35 ASN CA C 50.735 . . 146 76 35 ASN N N 129.322 . . 147 77 36 GLY H H 7.942 . . 148 77 36 GLY C C 173.756 . . 149 77 36 GLY CA C 42.825 . . 150 77 36 GLY N N 108.153 . . 151 78 37 LEU H H 8.850 . . 152 78 37 LEU C C 175.659 . . 153 78 37 LEU CA C 52.864 . . 154 78 37 LEU CB C 48.181 . . 155 78 37 LEU N N 116.151 . . 156 79 38 ILE H H 9.486 . . 157 79 38 ILE C C 174.674 . . 158 79 38 ILE CA C 60.763 . . 159 79 38 ILE CB C 41.178 . . 160 79 38 ILE N N 121.095 . . 161 80 39 VAL H H 9.558 . . 162 80 39 VAL C C 175.210 . . 163 80 39 VAL CA C 59.982 . . 164 80 39 VAL CB C 36.006 . . 165 80 39 VAL N N 126.269 . . 166 81 40 ARG H H 9.598 . . 167 81 40 ARG C C 173.688 . . 168 81 40 ARG CA C 55.587 . . 169 81 40 ARG N N 128.650 . . 170 82 41 ASP H H 9.057 . . 171 82 41 ASP C C 175.527 . . 172 82 41 ASP CA C 51.815 . . 173 82 41 ASP CB C 43.696 . . 174 82 41 ASP N N 129.405 . . 175 83 42 GLY H H 8.864 . . 176 83 42 GLY C C 174.588 . . 177 83 42 GLY CA C 47.448 . . 178 83 42 GLY N N 113.340 . . 179 84 43 GLY H H 8.630 . . 180 84 43 GLY C C 172.958 . . 181 84 43 GLY CA C 45.694 . . 182 84 43 GLY N N 115.835 . . 183 85 44 ARG H H 7.714 . . 184 85 44 ARG C C 172.905 . . 185 85 44 ARG CA C 53.679 . . 186 85 44 ARG CB C 32.925 . . 187 85 44 ARG N N 116.915 . . 188 86 45 VAL H H 8.877 . . 189 86 45 VAL C C 173.515 . . 190 86 45 VAL CA C 59.998 . . 191 86 45 VAL CB C 33.984 . . 192 86 45 VAL N N 118.741 . . 193 87 46 LEU H H 9.580 . . 194 87 46 LEU C C 175.411 . . 195 87 46 LEU CA C 52.697 . . 196 87 46 LEU CB C 43.557 . . 197 87 46 LEU N N 125.861 . . 198 88 47 VAL H H 8.184 . . 199 88 47 VAL C C 173.769 . . 200 88 47 VAL CA C 61.047 . . 201 88 47 VAL CB C 35.041 . . 202 88 47 VAL N N 122.253 . . 203 89 48 VAL H H 9.198 . . 204 89 48 VAL C C 175.921 . . 205 89 48 VAL CA C 60.968 . . 206 89 48 VAL CB C 32.510 . . 207 89 48 VAL N N 126.610 . . 208 90 49 ASP H H 9.057 . . 209 90 49 ASP C C 175.033 . . 210 90 49 ASP CA C 58.166 . . 211 90 49 ASP N N 118.830 . . 212 91 50 THR H H 7.600 . . 213 91 50 THR C C 171.248 . . 214 91 50 THR CA C 60.014 . . 215 91 50 THR CB C 67.656 . . 216 91 50 THR N N 105.796 . . 217 92 51 ALA H H 6.629 . . 218 92 51 ALA C C 177.757 . . 219 92 51 ALA CA C 50.241 . . 220 92 51 ALA CB C 22.016 . . 221 92 51 ALA N N 113.498 . . 222 93 52 TRP H H 7.077 . . 223 93 52 TRP C C 177.002 . . 224 93 52 TRP CA C 59.531 . . 225 93 52 TRP CB C 29.447 . . 226 93 52 TRP N N 113.683 . . 227 94 53 THR H H 7.092 . . 228 94 53 THR C C 177.390 . . 229 94 53 THR CA C 57.568 . . 230 94 53 THR CB C 73.562 . . 231 94 53 THR N N 98.411 . . 232 95 54 ASP H H 9.357 . . 233 95 54 ASP C C 178.003 . . 234 95 54 ASP CA C 58.269 . . 235 95 54 ASP CB C 40.591 . . 236 95 54 ASP N N 125.951 . . 237 96 55 ASP H H 8.730 . . 238 96 55 ASP C C 179.678 . . 239 96 55 ASP CA C 57.514 . . 240 96 55 ASP CB C 40.737 . . 241 96 55 ASP N N 119.892 . . 242 97 56 GLN H H 7.847 . . 243 97 56 GLN C C 178.356 . . 244 97 56 GLN CA C 58.123 . . 245 97 56 GLN CB C 28.582 . . 246 97 56 GLN N N 116.747 . . 247 98 57 THR H H 8.038 . . 248 98 57 THR C C 175.842 . . 249 98 57 THR CA C 67.024 . . 250 98 57 THR CB C 69.789 . . 251 98 57 THR N N 117.117 . . 252 99 58 ALA H H 8.826 . . 253 99 58 ALA C C 180.502 . . 254 99 58 ALA CA C 55.343 . . 255 99 58 ALA CB C 17.219 . . 256 99 58 ALA N N 124.829 . . 257 100 59 GLN H H 7.589 . . 258 100 59 GLN C C 178.939 . . 259 100 59 GLN CA C 59.448 . . 260 100 59 GLN CB C 28.531 . . 261 100 59 GLN N N 116.940 . . 262 101 60 ILE H H 7.771 . . 263 101 60 ILE C C 177.899 . . 264 101 60 ILE CA C 66.459 . . 265 101 60 ILE CB C 37.073 . . 266 101 60 ILE N N 120.518 . . 267 102 61 LEU H H 7.558 . . 268 102 61 LEU C C 180.273 . . 269 102 61 LEU CA C 57.483 . . 270 102 61 LEU N N 116.103 . . 271 103 62 ASN H H 8.204 . . 272 103 62 ASN C C 177.017 . . 273 103 62 ASN CA C 55.520 . . 274 103 62 ASN CB C 37.469 . . 275 103 62 ASN N N 119.913 . . 276 104 63 TRP H H 8.466 . . 277 104 63 TRP C C 177.241 . . 278 104 63 TRP CA C 62.318 . . 279 104 63 TRP CB C 30.171 . . 280 104 63 TRP N N 125.147 . . 281 105 64 ILE H H 8.469 . . 282 105 64 ILE C C 178.353 . . 283 105 64 ILE CA C 65.364 . . 284 105 64 ILE CB C 37.834 . . 285 105 64 ILE N N 117.878 . . 286 106 65 LYS H H 7.676 . . 287 106 65 LYS C C 176.591 . . 288 106 65 LYS CA C 59.226 . . 289 106 65 LYS CB C 31.606 . . 290 106 65 LYS N N 120.583 . . 291 107 66 GLN H H 7.324 . . 292 107 66 GLN C C 177.272 . . 293 107 66 GLN CA C 58.060 . . 294 107 66 GLN CB C 29.746 . . 295 107 66 GLN N N 114.931 . . 296 108 67 GLU H H 8.098 . . 297 108 67 GLU C C 176.657 . . 298 108 67 GLU CA C 56.438 . . 299 108 67 GLU CB C 28.921 . . 300 108 67 GLU N N 115.293 . . 301 109 68 ILE H H 7.387 . . 302 109 68 ILE C C 176.334 . . 303 109 68 ILE CA C 61.942 . . 304 109 68 ILE CB C 38.791 . . 305 109 68 ILE N N 117.561 . . 306 110 69 ASN H H 8.714 . . 307 110 69 ASN CA C 53.407 . . 308 110 69 ASN CB C 36.257 . . 309 110 69 ASN N N 115.206 . . 310 111 70 LEU H H 6.227 . . 311 111 70 LEU N N 115.568 . . 312 112 71 PRO C C 175.812 . . 313 112 71 PRO CA C 61.863 . . 314 112 71 PRO CB C 32.051 . . 315 113 72 VAL H H 8.509 . . 316 113 72 VAL C C 175.987 . . 317 113 72 VAL CA C 60.907 . . 318 113 72 VAL CB C 30.134 . . 319 113 72 VAL N N 121.473 . . 320 114 73 ALA H H 9.148 . . 321 114 73 ALA C C 178.047 . . 322 114 73 ALA CA C 53.668 . . 323 114 73 ALA CB C 21.451 . . 324 114 73 ALA N N 129.319 . . 325 115 74 LEU H H 7.375 . . 326 115 74 LEU C C 173.632 . . 327 115 74 LEU CA C 53.938 . . 328 115 74 LEU CB C 43.141 . . 329 115 74 LEU N N 110.370 . . 330 116 75 ALA H H 8.814 . . 331 116 75 ALA C C 175.335 . . 332 116 75 ALA CA C 49.190 . . 333 116 75 ALA CB C 23.811 . . 334 116 75 ALA N N 120.098 . . 335 117 76 VAL H H 8.890 . . 336 117 76 VAL C C 173.640 . . 337 117 76 VAL CA C 58.719 . . 338 117 76 VAL CB C 34.859 . . 339 117 76 VAL N N 121.610 . . 340 118 77 VAL H H 8.303 . . 341 118 77 VAL CA C 58.378 . . 342 118 77 VAL CB C 33.496 . . 343 118 77 VAL N N 118.899 . . 344 119 78 THR H H 10.633 . . 345 119 78 THR C C 177.495 . . 346 119 78 THR CA C 65.246 . . 347 119 78 THR CB C 70.138 . . 348 119 78 THR N N 111.924 . . 349 120 79 HIS H H 6.890 . . 350 120 79 HIS C C 172.312 . . 351 120 79 HIS CA C 58.067 . . 352 120 79 HIS CB C 29.515 . . 353 120 79 HIS N N 107.318 . . 354 121 80 ALA H H 8.733 . . 355 121 80 ALA C C 175.798 . . 356 121 80 ALA CA C 51.428 . . 357 121 80 ALA CB C 17.002 . . 358 121 80 ALA N N 121.372 . . 359 122 81 HIS H H 7.253 . . 360 122 81 HIS C C 177.333 . . 361 122 81 HIS CA C 52.168 . . 362 122 81 HIS CB C 37.303 . . 363 122 81 HIS N N 117.917 . . 364 123 82 GLN H H 9.577 . . 365 123 82 GLN C C 174.737 . . 366 123 82 GLN CA C 59.336 . . 367 123 82 GLN CB C 33.037 . . 368 123 82 GLN N N 123.361 . . 369 124 83 ASP H H 9.029 . . 370 124 83 ASP CA C 54.985 . . 371 124 83 ASP N N 107.995 . . 372 126 85 MET C C 176.929 . . 373 126 85 MET CA C 55.012 . . 374 127 86 GLY H H 7.880 . . 375 127 86 GLY C C 174.007 . . 376 127 86 GLY CA C 47.115 . . 377 127 86 GLY N N 111.648 . . 378 128 87 GLY H H 8.062 . . 379 128 87 GLY C C 175.680 . . 380 128 87 GLY CA C 44.333 . . 381 128 87 GLY N N 104.801 . . 382 129 88 MET H H 6.640 . . 383 129 88 MET C C 178.352 . . 384 129 88 MET CA C 56.623 . . 385 129 88 MET N N 115.962 . . 386 130 89 ASP H H 8.931 . . 387 130 89 ASP C C 179.174 . . 388 130 89 ASP CA C 57.803 . . 389 130 89 ASP CB C 40.341 . . 390 130 89 ASP N N 117.268 . . 391 131 90 ALA H H 7.693 . . 392 131 90 ALA C C 180.976 . . 393 131 90 ALA CA C 54.578 . . 394 131 90 ALA CB C 18.596 . . 395 131 90 ALA N N 121.326 . . 396 132 91 LEU H H 7.152 . . 397 132 91 LEU C C 179.223 . . 398 132 91 LEU CA C 57.168 . . 399 132 91 LEU N N 114.882 . . 400 133 92 HIS H H 8.340 . . 401 133 92 HIS C C 180.370 . . 402 133 92 HIS CA C 56.787 . . 403 133 92 HIS CB C 27.804 . . 404 133 92 HIS N N 120.011 . . 405 134 93 ALA H H 8.881 . . 406 134 93 ALA C C 178.656 . . 407 134 93 ALA CA C 54.468 . . 408 134 93 ALA CB C 17.554 . . 409 134 93 ALA N N 124.401 . . 410 135 94 ALA H H 7.069 . . 411 135 94 ALA C C 177.589 . . 412 135 94 ALA CA C 51.326 . . 413 135 94 ALA CB C 19.239 . . 414 135 94 ALA N N 117.991 . . 415 136 95 GLY H H 7.997 . . 416 136 95 GLY C C 174.384 . . 417 136 95 GLY CA C 45.798 . . 418 136 95 GLY N N 107.714 . . 419 137 96 ILE H H 7.641 . . 420 137 96 ILE C C 175.049 . . 421 137 96 ILE CA C 61.039 . . 422 137 96 ILE CB C 38.635 . . 423 137 96 ILE N N 121.953 . . 424 138 97 ALA H H 7.806 . . 425 138 97 ALA C C 177.332 . . 426 138 97 ALA CA C 52.102 . . 427 138 97 ALA CB C 19.974 . . 428 138 97 ALA N N 130.189 . . 429 139 98 THR H H 7.322 . . 430 139 98 THR C C 174.207 . . 431 139 98 THR CA C 59.169 . . 432 139 98 THR N N 109.099 . . 433 140 99 TYR H H 8.929 . . 434 140 99 TYR C C 174.016 . . 435 140 99 TYR CA C 56.892 . . 436 140 99 TYR CB C 42.800 . . 437 140 99 TYR N N 119.564 . . 438 141 100 ALA H H 8.194 . . 439 141 100 ALA CA C 50.353 . . 440 141 100 ALA CB C 23.744 . . 441 141 100 ALA N N 119.135 . . 442 142 101 ASN H H 10.316 . . 443 142 101 ASN C C 176.310 . . 444 142 101 ASN CA C 53.972 . . 445 142 101 ASN N N 120.029 . . 446 143 102 ALA H H 9.370 . . 447 143 102 ALA C C 180.458 . . 448 143 102 ALA CA C 55.727 . . 449 143 102 ALA CB C 18.427 . . 450 143 102 ALA N N 133.816 . . 451 144 103 LEU H H 7.442 . . 452 144 103 LEU C C 179.326 . . 453 144 103 LEU CA C 57.023 . . 454 144 103 LEU CB C 41.786 . . 455 144 103 LEU N N 114.489 . . 456 145 104 SER H H 7.455 . . 457 145 104 SER C C 175.590 . . 458 145 104 SER CA C 60.838 . . 459 145 104 SER N N 114.334 . . 460 146 105 ASN H H 7.353 . . 461 146 105 ASN C C 176.933 . . 462 146 105 ASN CA C 54.832 . . 463 146 105 ASN CB C 36.903 . . 464 146 105 ASN N N 117.436 . . 465 147 106 GLN H H 7.491 . . 466 147 106 GLN C C 178.217 . . 467 147 106 GLN CA C 57.584 . . 468 147 106 GLN CB C 28.858 . . 469 147 106 GLN N N 119.082 . . 470 148 107 LEU H H 7.835 . . 471 148 107 LEU C C 178.874 . . 472 148 107 LEU CA C 56.577 . . 473 148 107 LEU N N 118.666 . . 474 149 108 ALA H H 8.126 . . 475 149 108 ALA CA C 57.527 . . 476 149 108 ALA CB C 14.433 . . 477 149 108 ALA N N 119.590 . . 478 150 109 PRO C C 180.430 . . 479 150 109 PRO CA C 65.294 . . 480 150 109 PRO CB C 30.532 . . 481 151 110 GLN H H 7.465 . . 482 151 110 GLN C C 177.348 . . 483 151 110 GLN CA C 57.723 . . 484 151 110 GLN CB C 28.084 . . 485 151 110 GLN N N 116.555 . . 486 152 111 GLU H H 7.601 . . 487 152 111 GLU C C 176.527 . . 488 152 111 GLU CA C 54.425 . . 489 152 111 GLU CB C 30.014 . . 490 152 111 GLU N N 116.654 . . 491 153 112 GLY H H 7.685 . . 492 153 112 GLY C C 174.571 . . 493 153 112 GLY CA C 45.781 . . 494 153 112 GLY N N 106.492 . . 495 154 113 MET H H 7.947 . . 496 154 113 MET C C 174.243 . . 497 154 113 MET CA C 53.148 . . 498 154 113 MET CB C 36.228 . . 499 154 113 MET N N 118.870 . . 500 155 114 VAL H H 8.350 . . 501 155 114 VAL C C 173.911 . . 502 155 114 VAL CA C 61.792 . . 503 155 114 VAL CB C 32.971 . . 504 155 114 VAL N N 123.354 . . 505 156 115 ALA H H 7.823 . . 506 156 115 ALA C C 178.583 . . 507 156 115 ALA CA C 51.849 . . 508 156 115 ALA CB C 19.161 . . 509 156 115 ALA N N 123.349 . . 510 157 116 ALA H H 7.686 . . 511 157 116 ALA C C 176.501 . . 512 157 116 ALA CA C 51.163 . . 513 157 116 ALA CB C 19.415 . . 514 157 116 ALA N N 118.936 . . 515 158 117 GLN H H 8.602 . . 516 158 117 GLN C C 176.392 . . 517 158 117 GLN CA C 57.031 . . 518 158 117 GLN CB C 28.796 . . 519 158 117 GLN N N 118.135 . . 520 159 118 HIS H H 7.918 . . 521 159 118 HIS C C 175.531 . . 522 159 118 HIS CA C 53.904 . . 523 159 118 HIS CB C 32.665 . . 524 159 118 HIS N N 114.157 . . 525 160 119 SER H H 9.152 . . 526 160 119 SER C C 174.080 . . 527 160 119 SER CA C 57.209 . . 528 160 119 SER CB C 64.807 . . 529 160 119 SER N N 118.982 . . 530 161 120 LEU H H 9.271 . . 531 161 120 LEU C C 175.939 . . 532 161 120 LEU CA C 53.253 . . 533 161 120 LEU CB C 43.378 . . 534 161 120 LEU N N 125.973 . . 535 162 121 THR H H 7.499 . . 536 162 121 THR C C 172.461 . . 537 162 121 THR CA C 59.931 . . 538 162 121 THR CB C 70.398 . . 539 162 121 THR N N 112.522 . . 540 163 122 PHE H H 8.754 . . 541 163 122 PHE C C 175.482 . . 542 163 122 PHE CA C 57.695 . . 543 163 122 PHE CB C 41.616 . . 544 163 122 PHE N N 118.179 . . 545 164 123 ALA H H 8.771 . . 546 164 123 ALA C C 179.108 . . 547 164 123 ALA CA C 51.091 . . 548 164 123 ALA CB C 19.879 . . 549 164 123 ALA N N 124.811 . . 550 165 124 ALA H H 8.994 . . 551 165 124 ALA C C 178.582 . . 552 165 124 ALA CA C 54.734 . . 553 165 124 ALA N N 124.248 . . 554 166 125 ASN H H 7.755 . . 555 166 125 ASN C C 175.935 . . 556 166 125 ASN CA C 52.133 . . 557 166 125 ASN CB C 37.087 . . 558 166 125 ASN N N 112.016 . . 559 167 126 GLY H H 8.078 . . 560 167 126 GLY C C 174.304 . . 561 167 126 GLY CA C 45.749 . . 562 167 126 GLY N N 107.290 . . 563 168 127 TRP H H 7.736 . . 564 168 127 TRP C C 175.837 . . 565 168 127 TRP CA C 57.812 . . 566 168 127 TRP CB C 29.625 . . 567 168 127 TRP N N 121.418 . . 568 169 128 VAL H H 8.213 . . 569 169 128 VAL C C 174.628 . . 570 169 128 VAL CA C 61.676 . . 571 169 128 VAL CB C 32.435 . . 572 169 128 VAL N N 121.924 . . 573 170 129 GLU H H 8.740 . . 574 170 129 GLU CA C 53.973 . . 575 170 129 GLU CB C 28.262 . . 576 170 129 GLU N N 128.436 . . 577 171 130 PRO C C 178.616 . . 578 171 130 PRO CA C 65.366 . . 579 171 130 PRO CB C 31.866 . . 580 172 131 ALA H H 8.768 . . 581 172 131 ALA C C 179.276 . . 582 172 131 ALA CA C 54.226 . . 583 172 131 ALA CB C 18.292 . . 584 172 131 ALA N N 118.486 . . 585 173 132 THR H H 7.963 . . 586 173 132 THR C C 172.176 . . 587 173 132 THR CA C 60.937 . . 588 173 132 THR CB C 70.024 . . 589 173 132 THR N N 104.913 . . 590 174 133 ALA H H 6.893 . . 591 174 133 ALA CA C 48.856 . . 592 174 133 ALA CB C 18.555 . . 593 174 133 ALA N N 124.101 . . 594 175 134 PRO C C 177.140 . . 595 175 134 PRO CA C 62.342 . . 596 175 134 PRO CB C 31.542 . . 597 176 135 ASN H H 8.751 . . 598 176 135 ASN C C 177.539 . . 599 176 135 ASN CA C 53.167 . . 600 176 135 ASN CB C 36.889 . . 601 176 135 ASN N N 115.937 . . 602 177 136 PHE H H 8.191 . . 603 177 136 PHE C C 176.716 . . 604 177 136 PHE CA C 58.330 . . 605 177 136 PHE CB C 38.117 . . 606 177 136 PHE N N 121.926 . . 607 178 137 GLY H H 8.431 . . 608 178 137 GLY CA C 44.786 . . 609 178 137 GLY N N 107.961 . . 610 179 138 PRO C C 176.136 . . 611 179 138 PRO CA C 62.707 . . 612 179 138 PRO CB C 32.521 . . 613 180 139 LEU H H 7.811 . . 614 180 139 LEU C C 175.911 . . 615 180 139 LEU CA C 55.229 . . 616 180 139 LEU CB C 40.745 . . 617 180 139 LEU N N 119.383 . . 618 181 140 LYS H H 9.130 . . 619 181 140 LYS C C 176.029 . . 620 181 140 LYS CA C 53.949 . . 621 181 140 LYS CB C 32.813 . . 622 181 140 LYS N N 127.194 . . 623 182 141 VAL H H 8.571 . . 624 182 141 VAL C C 173.316 . . 625 182 141 VAL CA C 63.067 . . 626 182 141 VAL CB C 32.465 . . 627 182 141 VAL N N 124.292 . . 628 183 142 PHE H H 8.828 . . 629 183 142 PHE C C 174.403 . . 630 183 142 PHE CA C 56.011 . . 631 183 142 PHE N N 127.710 . . 632 184 143 TYR H H 9.286 . . 633 184 143 TYR CA C 52.076 . . 634 184 143 TYR N N 133.577 . . 635 187 146 PRO C C 177.752 . . 636 187 146 PRO CA C 61.995 . . 637 188 147 GLY H H 7.607 . . 638 188 147 GLY C C 171.629 . . 639 188 147 GLY CA C 46.975 . . 640 188 147 GLY N N 107.891 . . 641 189 148 HIS H H 7.198 . . 642 189 148 HIS C C 173.531 . . 643 189 148 HIS CA C 60.370 . . 644 189 148 HIS N N 131.969 . . 645 190 149 THR H H 7.449 . . 646 190 149 THR C C 177.010 . . 647 190 149 THR CA C 59.462 . . 648 190 149 THR CB C 72.487 . . 649 190 149 THR N N 102.681 . . 650 191 150 SER H H 9.514 . . 651 191 150 SER C C 174.158 . . 652 191 150 SER CA C 61.405 . . 653 191 150 SER CB C 62.561 . . 654 191 150 SER N N 115.921 . . 655 192 151 ASP H H 9.301 . . 656 192 151 ASP C C 174.728 . . 657 192 151 ASP CA C 52.593 . . 658 192 151 ASP CB C 40.115 . . 659 192 151 ASP N N 113.581 . . 660 193 152 ASN H H 6.632 . . 661 193 152 ASN C C 175.334 . . 662 193 152 ASN CA C 54.206 . . 663 193 152 ASN N N 116.155 . . 664 194 153 ILE H H 8.489 . . 665 194 153 ILE C C 175.037 . . 666 194 153 ILE CA C 59.848 . . 667 194 153 ILE N N 113.400 . . 668 195 154 THR H H 8.937 . . 669 195 154 THR C C 173.040 . . 670 195 154 THR CA C 59.998 . . 671 195 154 THR N N 110.762 . . 672 196 155 VAL H H 8.443 . . 673 196 155 VAL C C 173.734 . . 674 196 155 VAL CA C 60.318 . . 675 196 155 VAL CB C 37.158 . . 676 196 155 VAL N N 116.101 . . 677 197 156 GLY H H 9.716 . . 678 197 156 GLY C C 172.034 . . 679 197 156 GLY CA C 43.059 . . 680 197 156 GLY N N 116.716 . . 681 198 157 ILE H H 7.038 . . 682 198 157 ILE C C 175.869 . . 683 198 157 ILE CA C 59.218 . . 684 198 157 ILE CB C 35.295 . . 685 198 157 ILE N N 118.873 . . 686 199 158 ASP H H 9.749 . . 687 199 158 ASP C C 176.240 . . 688 199 158 ASP CA C 56.165 . . 689 199 158 ASP CB C 41.386 . . 690 199 158 ASP N N 131.129 . . 691 200 159 GLY H H 8.581 . . 692 200 159 GLY C C 173.862 . . 693 200 159 GLY CA C 44.922 . . 694 200 159 GLY N N 110.261 . . 695 201 160 THR H H 7.875 . . 696 201 160 THR C C 173.834 . . 697 201 160 THR CA C 59.656 . . 698 201 160 THR CB C 72.331 . . 699 201 160 THR N N 108.679 . . 700 202 161 ASP H H 8.878 . . 701 202 161 ASP C C 175.446 . . 702 202 161 ASP CA C 53.362 . . 703 202 161 ASP CB C 40.837 . . 704 202 161 ASP N N 119.120 . . 705 203 162 ILE H H 8.352 . . 706 203 162 ILE C C 176.671 . . 707 203 162 ILE CA C 61.413 . . 708 203 162 ILE CB C 39.799 . . 709 203 162 ILE N N 119.064 . . 710 204 163 ALA H H 8.585 . . 711 204 163 ALA C C 173.909 . . 712 204 163 ALA CA C 51.448 . . 713 204 163 ALA CB C 21.428 . . 714 204 163 ALA N N 127.765 . . 715 205 164 PHE H H 9.824 . . 716 205 164 PHE C C 174.553 . . 717 205 164 PHE CA C 55.076 . . 718 205 164 PHE CB C 40.842 . . 719 205 164 PHE N N 122.608 . . 720 206 165 GLY H H 8.980 . . 721 206 165 GLY CA C 43.880 . . 722 206 165 GLY N N 112.031 . . 723 207 166 GLY C C 172.087 . . 724 207 166 GLY CA C 46.507 . . 725 208 167 CYS H H 8.196 . . 726 208 167 CYS C C 174.299 . . 727 208 167 CYS CA C 58.210 . . 728 208 167 CYS N N 124.850 . . 729 209 168 LEU H H 6.928 . . 730 209 168 LEU CA C 56.403 . . 731 209 168 LEU CB C 42.809 . . 732 209 168 LEU N N 115.917 . . 733 210 169 ILE H H 5.692 . . 734 210 169 ILE C C 175.329 . . 735 210 169 ILE CA C 56.538 . . 736 210 169 ILE N N 115.104 . . 737 211 170 LYS H H 8.205 . . 738 211 170 LYS C C 174.611 . . 739 211 170 LYS CA C 52.758 . . 740 211 170 LYS N N 124.928 . . 741 212 171 ASP H H 6.946 . . 742 212 171 ASP C C 175.742 . . 743 212 171 ASP CA C 53.758 . . 744 212 171 ASP CB C 41.884 . . 745 212 171 ASP N N 111.955 . . 746 213 172 SER H H 8.779 . . 747 213 172 SER C C 173.486 . . 748 213 172 SER CA C 60.747 . . 749 213 172 SER CB C 62.769 . . 750 213 172 SER N N 110.154 . . 751 214 173 LYS H H 8.077 . . 752 214 173 LYS C C 176.978 . . 753 214 173 LYS CA C 54.581 . . 754 214 173 LYS CB C 31.859 . . 755 214 173 LYS N N 119.379 . . 756 215 174 ALA H H 7.639 . . 757 215 174 ALA CA C 53.103 . . 758 215 174 ALA CB C 20.107 . . 759 215 174 ALA N N 125.020 . . 760 216 175 LYS C C 176.136 . . 761 216 175 LYS CA C 55.918 . . 762 217 176 SER H H 7.594 . . 763 217 176 SER C C 173.819 . . 764 217 176 SER CA C 56.442 . . 765 217 176 SER CB C 65.338 . . 766 217 176 SER N N 111.784 . . 767 218 177 LEU H H 8.989 . . 768 218 177 LEU CA C 54.812 . . 769 218 177 LEU N N 120.019 . . 770 219 178 GLY H H 8.203 . . 771 219 178 GLY C C 175.174 . . 772 219 178 GLY CA C 44.958 . . 773 219 178 GLY N N 105.835 . . 774 221 180 LEU C C 179.054 . . 775 221 180 LEU CA C 53.649 . . 776 221 180 LEU CB C 41.741 . . 777 222 181 GLY H H 8.580 . . 778 222 181 GLY C C 174.422 . . 779 222 181 GLY CA C 47.691 . . 780 222 181 GLY N N 109.772 . . 781 223 182 ASP H H 8.212 . . 782 223 182 ASP C C 174.928 . . 783 223 182 ASP CA C 52.967 . . 784 223 182 ASP CB C 42.219 . . 785 223 182 ASP N N 117.853 . . 786 224 183 ALA H H 7.222 . . 787 224 183 ALA C C 177.295 . . 788 224 183 ALA CA C 51.856 . . 789 224 183 ALA CB C 21.202 . . 790 224 183 ALA N N 121.536 . . 791 225 184 ASP H H 8.420 . . 792 225 184 ASP C C 176.564 . . 793 225 184 ASP CA C 51.708 . . 794 225 184 ASP CB C 41.010 . . 795 225 184 ASP N N 119.999 . . 796 226 185 THR H H 8.370 . . 797 226 185 THR C C 175.809 . . 798 226 185 THR CA C 64.707 . . 799 226 185 THR CB C 67.639 . . 800 226 185 THR N N 113.874 . . 801 227 186 GLU H H 7.989 . . 802 227 186 GLU C C 178.091 . . 803 227 186 GLU CA C 58.003 . . 804 227 186 GLU CB C 29.172 . . 805 227 186 GLU N N 120.968 . . 806 228 187 HIS H H 7.628 . . 807 228 187 HIS C C 174.450 . . 808 228 187 HIS CA C 56.901 . . 809 228 187 HIS N N 113.619 . . 810 229 188 TYR H H 7.370 . . 811 229 188 TYR C C 178.314 . . 812 229 188 TYR CA C 61.148 . . 813 229 188 TYR N N 120.481 . . 814 230 189 ALA H H 8.977 . . 815 230 189 ALA C C 178.742 . . 816 230 189 ALA CA C 56.686 . . 817 230 189 ALA CB C 18.363 . . 818 230 189 ALA N N 121.156 . . 819 231 190 ALA H H 7.994 . . 820 231 190 ALA C C 181.414 . . 821 231 190 ALA CA C 54.599 . . 822 231 190 ALA CB C 17.681 . . 823 231 190 ALA N N 119.262 . . 824 232 191 SER H H 8.575 . . 825 232 191 SER C C 176.352 . . 826 232 191 SER CA C 60.370 . . 827 232 191 SER CB C 61.719 . . 828 232 191 SER N N 118.841 . . 829 233 192 ALA H H 8.698 . . 830 233 192 ALA C C 179.084 . . 831 233 192 ALA CA C 55.644 . . 832 233 192 ALA CB C 16.713 . . 833 233 192 ALA N N 123.475 . . 834 234 193 ARG H H 8.124 . . 835 234 193 ARG C C 179.565 . . 836 234 193 ARG CA C 60.025 . . 837 234 193 ARG CB C 29.317 . . 838 234 193 ARG N N 114.607 . . 839 235 194 ALA H H 8.695 . . 840 235 194 ALA C C 180.399 . . 841 235 194 ALA CA C 54.854 . . 842 235 194 ALA CB C 17.481 . . 843 235 194 ALA N N 124.402 . . 844 236 195 PHE H H 8.003 . . 845 236 195 PHE C C 175.554 . . 846 236 195 PHE CA C 60.351 . . 847 236 195 PHE N N 118.361 . . 848 237 196 GLY H H 7.592 . . 849 237 196 GLY C C 175.132 . . 850 237 196 GLY CA C 47.618 . . 851 237 196 GLY N N 102.731 . . 852 238 197 ALA H H 7.649 . . 853 238 197 ALA C C 178.510 . . 854 238 197 ALA CA C 52.847 . . 855 238 197 ALA CB C 18.033 . . 856 238 197 ALA N N 120.412 . . 857 239 198 ALA H H 7.319 . . 858 239 198 ALA CA C 53.327 . . 859 239 198 ALA CB C 16.366 . . 860 239 198 ALA N N 121.663 . . 861 240 199 PHE H H 6.172 . . 862 240 199 PHE N N 111.905 . . 863 241 200 PRO C C 177.579 . . 864 241 200 PRO CA C 64.522 . . 865 241 200 PRO CB C 32.080 . . 866 242 201 LYS H H 8.544 . . 867 242 201 LYS C C 176.578 . . 868 242 201 LYS CA C 54.804 . . 869 242 201 LYS CB C 32.048 . . 870 242 201 LYS N N 116.600 . . 871 243 202 ALA H H 6.946 . . 872 243 202 ALA C C 176.371 . . 873 243 202 ALA CA C 53.144 . . 874 243 202 ALA CB C 18.764 . . 875 243 202 ALA N N 123.142 . . 876 244 203 SER H H 8.291 . . 877 244 203 SER C C 173.687 . . 878 244 203 SER CA C 57.237 . . 879 244 203 SER CB C 64.424 . . 880 244 203 SER N N 115.883 . . 881 245 204 MET H H 8.365 . . 882 245 204 MET C C 172.498 . . 883 245 204 MET CA C 54.995 . . 884 245 204 MET CB C 34.036 . . 885 245 204 MET N N 125.483 . . 886 246 205 ILE H H 9.192 . . 887 246 205 ILE C C 174.408 . . 888 246 205 ILE CA C 56.801 . . 889 246 205 ILE N N 127.384 . . 890 247 206 VAL H H 8.733 . . 891 247 206 VAL C C 174.615 . . 892 247 206 VAL CA C 60.656 . . 893 247 206 VAL N N 127.908 . . 894 248 207 MET H H 10.122 . . 895 248 207 MET C C 175.034 . . 896 248 207 MET CA C 54.052 . . 897 248 207 MET CB C 38.331 . . 898 248 207 MET N N 128.324 . . 899 249 208 SER H H 7.296 . . 900 249 208 SER C C 175.857 . . 901 249 208 SER CA C 59.772 . . 902 249 208 SER CB C 62.497 . . 903 249 208 SER N N 112.318 . . 904 250 209 HIS H H 8.196 . . 905 250 209 HIS C C 173.983 . . 906 250 209 HIS CA C 54.054 . . 907 250 209 HIS CB C 28.563 . . 908 250 209 HIS N N 112.436 . . 909 251 210 SER H H 7.100 . . 910 251 210 SER C C 171.674 . . 911 251 210 SER CA C 57.352 . . 912 251 210 SER CB C 67.432 . . 913 251 210 SER N N 113.318 . . 914 252 211 ALA H H 8.388 . . 915 252 211 ALA CA C 51.302 . . 916 252 211 ALA CB C 16.777 . . 917 252 211 ALA N N 125.466 . . 918 253 212 PRO C C 175.901 . . 919 253 212 PRO CA C 63.753 . . 920 253 212 PRO CB C 31.785 . . 921 254 213 ASP H H 8.743 . . 922 254 213 ASP C C 174.979 . . 923 254 213 ASP CA C 50.956 . . 924 254 213 ASP CB C 46.328 . . 925 254 213 ASP N N 121.723 . . 926 255 214 SER H H 9.252 . . 927 255 214 SER C C 175.105 . . 928 255 214 SER CA C 56.654 . . 929 255 214 SER CB C 65.171 . . 930 255 214 SER N N 115.650 . . 931 256 215 ARG H H 8.563 . . 932 256 215 ARG CA C 60.307 . . 933 256 215 ARG N N 114.997 . . 934 257 216 ALA C C 179.375 . . 935 257 216 ALA CA C 55.527 . . 936 258 217 ALA H H 8.019 . . 937 258 217 ALA C C 180.186 . . 938 258 217 ALA CA C 55.880 . . 939 258 217 ALA CB C 19.481 . . 940 258 217 ALA N N 119.332 . . 941 259 218 ILE H H 7.838 . . 942 259 218 ILE C C 177.359 . . 943 259 218 ILE CA C 65.722 . . 944 259 218 ILE CB C 37.786 . . 945 259 218 ILE N N 118.412 . . 946 260 219 THR H H 7.231 . . 947 260 219 THR C C 176.844 . . 948 260 219 THR CA C 65.394 . . 949 260 219 THR CB C 68.440 . . 950 260 219 THR N N 112.969 . . 951 261 220 HIS H H 8.672 . . 952 261 220 HIS C C 177.289 . . 953 261 220 HIS CA C 59.591 . . 954 261 220 HIS CB C 31.721 . . 955 261 220 HIS N N 121.188 . . 956 262 221 THR H H 8.104 . . 957 262 221 THR C C 175.674 . . 958 262 221 THR CA C 68.208 . . 959 262 221 THR N N 115.367 . . 960 263 222 ALA H H 8.387 . . 961 263 222 ALA C C 177.943 . . 962 263 222 ALA CA C 55.844 . . 963 263 222 ALA CB C 17.799 . . 964 263 222 ALA N N 121.749 . . 965 264 223 ARG H H 8.036 . . 966 264 223 ARG C C 180.408 . . 967 264 223 ARG CA C 59.224 . . 968 264 223 ARG CB C 29.467 . . 969 264 223 ARG N N 117.118 . . 970 265 224 MET H H 8.116 . . 971 265 224 MET C C 179.538 . . 972 265 224 MET CA C 59.548 . . 973 265 224 MET N N 119.254 . . 974 266 225 ALA H H 8.462 . . 975 266 225 ALA C C 180.413 . . 976 266 225 ALA CA C 54.071 . . 977 266 225 ALA CB C 16.265 . . 978 266 225 ALA N N 122.353 . . 979 267 226 ASP H H 8.807 . . 980 267 226 ASP C C 178.692 . . 981 267 226 ASP CA C 57.200 . . 982 267 226 ASP CB C 39.940 . . 983 267 226 ASP N N 124.833 . . 984 268 227 LYS H H 7.243 . . 985 268 227 LYS C C 178.300 . . 986 268 227 LYS CA C 58.469 . . 987 268 227 LYS CB C 31.556 . . 988 268 227 LYS N N 118.218 . . 989 269 228 LEU H H 7.507 . . 990 269 228 LEU C C 178.457 . . 991 269 228 LEU CA C 56.586 . . 992 269 228 LEU CB C 42.106 . . 993 269 228 LEU N N 118.116 . . stop_ save_