data_27043 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of New Delhi Metallo-beta-lactamase ; _BMRB_accession_number 27043 _BMRB_flat_file_name bmr27043.str _Entry_type original _Submission_date 2017-03-05 _Accession_date 2017-03-05 _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 Xu Guohua . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 182 "13C chemical shifts" 383 "15N chemical shifts" 182 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-18 update BMRB 'update entry citation' 2017-03-17 original author 'original release' stop_ _Original_release_date 2017-03-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignment of New Delhi Metallo-beta-lactamase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28808891 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Chendie . . 2 Wu Qiong . . 3 Xu Guohua . . 4 Li Conggang . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 239 _Page_last 242 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NDM-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NDM-1 $NDM-1 Zn2+ $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_NDM-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NDM-1 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 278 _Mol_residue_sequence ; MELPNIMHPVAKLSTALAAA LMLSGCMPGEIRPTIGQQME TGDQRFGDLVFRQLAPNVWQ HTSYLDMPGFGAVASNGLIV RDGGRVLVVDTAWTDDQTAQ ILNWIKQEINLPVALAVVTH AHQDKMGGMDALHAAGIATY ANALSNQLAPQEGMVAAQHS LTFAANGWVEPATAPNFGPL KVFYPGPGHTSDNITVGIDG TDIAFGGCLIKDSKAKSLGN LGDADTEHYAASARAFGAAF PKASMIVMSHSAPDSRAAIT HTARMADKLRLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LEU 4 PRO 5 ASN 6 ILE 7 MET 8 HIS 9 PRO 10 VAL 11 ALA 12 LYS 13 LEU 14 SER 15 THR 16 ALA 17 LEU 18 ALA 19 ALA 20 ALA 21 LEU 22 MET 23 LEU 24 SER 25 GLY 26 CYS 27 MET 28 PRO 29 GLY 30 GLU 31 ILE 32 ARG 33 PRO 34 THR 35 ILE 36 GLY 37 GLN 38 GLN 39 MET 40 GLU 41 THR 42 GLY 43 ASP 44 GLN 45 ARG 46 PHE 47 GLY 48 ASP 49 LEU 50 VAL 51 PHE 52 ARG 53 GLN 54 LEU 55 ALA 56 PRO 57 ASN 58 VAL 59 TRP 60 GLN 61 HIS 62 THR 63 SER 64 TYR 65 LEU 66 ASP 67 MET 68 PRO 69 GLY 70 PHE 71 GLY 72 ALA 73 VAL 74 ALA 75 SER 76 ASN 77 GLY 78 LEU 79 ILE 80 VAL 81 ARG 82 ASP 83 GLY 84 GLY 85 ARG 86 VAL 87 LEU 88 VAL 89 VAL 90 ASP 91 THR 92 ALA 93 TRP 94 THR 95 ASP 96 ASP 97 GLN 98 THR 99 ALA 100 GLN 101 ILE 102 LEU 103 ASN 104 TRP 105 ILE 106 LYS 107 GLN 108 GLU 109 ILE 110 ASN 111 LEU 112 PRO 113 VAL 114 ALA 115 LEU 116 ALA 117 VAL 118 VAL 119 THR 120 HIS 121 ALA 122 HIS 123 GLN 124 ASP 125 LYS 126 MET 127 GLY 128 GLY 129 MET 130 ASP 131 ALA 132 LEU 133 HIS 134 ALA 135 ALA 136 GLY 137 ILE 138 ALA 139 THR 140 TYR 141 ALA 142 ASN 143 ALA 144 LEU 145 SER 146 ASN 147 GLN 148 LEU 149 ALA 150 PRO 151 GLN 152 GLU 153 GLY 154 MET 155 VAL 156 ALA 157 ALA 158 GLN 159 HIS 160 SER 161 LEU 162 THR 163 PHE 164 ALA 165 ALA 166 ASN 167 GLY 168 TRP 169 VAL 170 GLU 171 PRO 172 ALA 173 THR 174 ALA 175 PRO 176 ASN 177 PHE 178 GLY 179 PRO 180 LEU 181 LYS 182 VAL 183 PHE 184 TYR 185 PRO 186 GLY 187 PRO 188 GLY 189 HIS 190 THR 191 SER 192 ASP 193 ASN 194 ILE 195 THR 196 VAL 197 GLY 198 ILE 199 ASP 200 GLY 201 THR 202 ASP 203 ILE 204 ALA 205 PHE 206 GLY 207 GLY 208 CYS 209 LEU 210 ILE 211 LYS 212 ASP 213 SER 214 LYS 215 ALA 216 LYS 217 SER 218 LEU 219 GLY 220 ASN 221 LEU 222 GLY 223 ASP 224 ALA 225 ASP 226 THR 227 GLU 228 HIS 229 TYR 230 ALA 231 ALA 232 SER 233 ALA 234 ARG 235 ALA 236 PHE 237 GLY 238 ALA 239 ALA 240 PHE 241 PRO 242 LYS 243 ALA 244 SER 245 MET 246 ILE 247 VAL 248 MET 249 SER 250 HIS 251 SER 252 ALA 253 PRO 254 ASP 255 SER 256 ARG 257 ALA 258 ALA 259 ILE 260 THR 261 HIS 262 THR 263 ALA 264 ARG 265 MET 266 ALA 267 ASP 268 LYS 269 LEU 270 ARG 271 LEU 272 GLU 273 HIS 274 HIS 275 HIS 276 HIS 277 HIS 278 HIS 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NDM-1 Superbacteria . . . . . 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 $NDM-1 'recombinant technology' . Escherichia coli . pET-21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.3 mM NDM-1 in 50 mM HEPES in 95% H2O/5% D2O at pH 7.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NDM-1 0.3 mM '[U-13C; U-15N]' HEPES 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _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' 0 . M pH 7.5 . pH pressure 1 . atm temperature 298 . 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 water C 13 protons ppm 4.7 internal indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1.000000000 water N 15 protons ppm 4.7 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 'TROSY offset: amide nitrogens; amide protons.' loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D TROSY-HNCA' '3D TROSY-HNCACB' '3D TROSY-HN(CO)CA' '3D TROSY-HN(CO)CACB' 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 NDM-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 42 42 GLY CA C 44.447 . 1 2 43 43 ASP H H 8.093 . 1 3 43 43 ASP CA C 54.596 . 1 4 43 43 ASP CB C 40.743 . 1 5 43 43 ASP N N 121.867 . 1 6 44 44 GLN H H 9.092 . 1 7 44 44 GLN CA C 54.315 . 1 8 44 44 GLN CB C 29.972 . 1 9 44 44 GLN N N 122.639 . 1 10 45 45 ARG H H 8.745 . 1 11 45 45 ARG CA C 55.394 . 1 12 45 45 ARG CB C 29.903 . 1 13 45 45 ARG N N 125.434 . 1 14 46 46 PHE H H 8.588 . 1 15 46 46 PHE CA C 57.22 . 1 16 46 46 PHE CB C 40.537 . 1 17 46 46 PHE N N 128.252 . 1 18 47 47 GLY H H 8.553 . 1 19 47 47 GLY CA C 46.421 . 1 20 47 47 GLY N N 116.689 . 1 21 48 48 ASP H H 9.213 . 1 22 48 48 ASP CA C 54.521 . 1 23 48 48 ASP CB C 40.74 . 1 24 48 48 ASP N N 127.218 . 1 25 49 49 LEU H H 8.366 . 1 26 49 49 LEU CA C 53.871 . 1 27 49 49 LEU CB C 44.575 . 1 28 49 49 LEU N N 124.666 . 1 29 50 50 VAL H H 7.975 . 1 30 50 50 VAL CA C 60.575 . 1 31 50 50 VAL CB C 34.345 . 1 32 50 50 VAL N N 119.642 . 1 33 51 51 PHE H H 8.774 . 1 34 51 51 PHE CA C 55.71 . 1 35 51 51 PHE CB C 42.106 . 1 36 51 51 PHE N N 123.237 . 1 37 52 52 ARG H H 8.459 . 1 38 52 52 ARG CA C 54.222 . 1 39 52 52 ARG CB C 33.829 . 1 40 52 52 ARG N N 121.366 . 1 41 53 53 GLN CA C 56.99 . 1 42 53 53 GLN CB C 27.163 . 1 43 54 54 LEU H H 8.729 . 1 44 54 54 LEU CA C 54.447 . 1 45 54 54 LEU CB C 42.952 . 1 46 54 54 LEU N N 128.014 . 1 47 55 55 ALA H H 8.212 . 1 48 55 55 ALA CA C 49.658 . 1 49 55 55 ALA CB C 18.004 . 1 50 55 55 ALA N N 122.004 . 1 51 59 59 TRP CA C 56.768 . 1 52 59 59 TRP CB C 33.368 . 1 53 60 60 GLN H H 9.616 . 1 54 60 60 GLN CA C 53.567 . 1 55 60 60 GLN CB C 33.835 . 1 56 60 60 GLN N N 123.134 . 1 57 61 61 HIS H H 8.004 . 1 58 61 61 HIS CA C 52.896 . 1 59 61 61 HIS CB C 34.418 . 1 60 61 61 HIS N N 127.82 . 1 61 62 62 THR H H 8.481 . 1 62 62 62 THR CA C 61.591 . 1 63 62 62 THR CB C 70.86 . 1 64 62 62 THR N N 118.582 . 1 65 63 63 SER H H 8.404 . 1 66 63 63 SER CA C 55.753 . 1 67 63 63 SER CB C 66.578 . 1 68 63 63 SER N N 118.985 . 1 69 64 64 TYR H H 9.075 . 1 70 64 64 TYR CA C 57.004 . 1 71 64 64 TYR CB C 41.672 . 1 72 64 64 TYR N N 119.036 . 1 73 65 65 LEU H H 7.761 . 1 74 65 65 LEU CA C 52.818 . 1 75 65 65 LEU CB C 42.302 . 1 76 65 65 LEU N N 124.395 . 1 77 66 66 ASP H H 8.098 . 1 78 66 66 ASP CA C 53.859 . 1 79 66 66 ASP CB C 40.221 . 1 80 66 66 ASP N N 126.85 . 1 81 67 67 MET H H 8.276 . 1 82 67 67 MET CA C 51.82 . 1 83 67 67 MET CB C 33.172 . 1 84 67 67 MET N N 126.089 . 1 85 69 69 GLY CA C 44.731 . 1 86 70 70 PHE H H 8.055 . 1 87 70 70 PHE CA C 58.258 . 1 88 70 70 PHE CB C 40.939 . 1 89 70 70 PHE N N 118.873 . 1 90 71 71 GLY H H 8.102 . 1 91 71 71 GLY CA C 43.948 . 1 92 71 71 GLY N N 109.53 . 1 93 72 72 ALA H H 8.068 . 1 94 72 72 ALA CA C 51.827 . 1 95 72 72 ALA CB C 17.885 . 1 96 72 72 ALA N N 124.355 . 1 97 73 73 VAL H H 8.626 . 1 98 73 73 VAL CA C 61.884 . 1 99 73 73 VAL CB C 32.26 . 1 100 73 73 VAL N N 126.875 . 1 101 74 74 ALA H H 8.477 . 1 102 74 74 ALA CA C 50.921 . 1 103 74 74 ALA CB C 19.927 . 1 104 74 74 ALA N N 129.778 . 1 105 75 75 SER H H 8.899 . 1 106 75 75 SER CA C 57.144 . 1 107 75 75 SER CB C 61.971 . 1 108 75 75 SER N N 115.131 . 1 109 76 76 ASN H H 9.007 . 1 110 76 76 ASN CA C 50.616 . 1 111 76 76 ASN CB C 39.53 . 1 112 76 76 ASN N N 129.901 . 1 113 77 77 GLY H H 7.798 . 1 114 77 77 GLY CA C 42.463 . 1 115 77 77 GLY N N 108.665 . 1 116 78 78 LEU H H 8.725 . 1 117 78 78 LEU CA C 52.621 . 1 118 78 78 LEU CB C 47.231 . 1 119 78 78 LEU N N 116.832 . 1 120 79 79 ILE H H 9.35 . 1 121 79 79 ILE CA C 60.406 . 1 122 79 79 ILE CB C 40.28 . 1 123 79 79 ILE N N 121.559 . 1 124 80 80 VAL H H 9.439 . 1 125 80 80 VAL CA C 59.765 . 1 126 80 80 VAL CB C 34.775 . 1 127 80 80 VAL N N 126.784 . 1 128 81 81 ARG H H 9.461 . 1 129 81 81 ARG CA C 55.341 . 1 130 81 81 ARG CB C 31.325 . 1 131 81 81 ARG N N 129.072 . 1 132 82 82 ASP H H 8.941 . 1 133 82 82 ASP CA C 51.616 . 1 134 82 82 ASP CB C 43.025 . 1 135 82 82 ASP N N 130.047 . 1 136 83 83 GLY H H 8.732 . 1 137 83 83 GLY CA C 47.083 . 1 138 83 83 GLY N N 113.864 . 1 139 84 84 GLY H H 8.49 . 1 140 84 84 GLY CA C 45.432 . 1 141 84 84 GLY N N 116.259 . 1 142 85 85 ARG H H 7.566 . 1 143 85 85 ARG CA C 53.417 . 1 144 85 85 ARG CB C 32.077 . 1 145 85 85 ARG N N 117.611 . 1 146 86 86 VAL H H 8.745 . 1 147 86 86 VAL CA C 59.771 . 1 148 86 86 VAL CB C 33.147 . 1 149 86 86 VAL N N 119.281 . 1 150 87 87 LEU H H 9.447 . 1 151 87 87 LEU CA C 52.391 . 1 152 87 87 LEU CB C 42.322 . 1 153 87 87 LEU N N 126.263 . 1 154 88 88 VAL H H 8.063 . 1 155 88 88 VAL CA C 60.824 . 1 156 88 88 VAL CB C 34.232 . 1 157 88 88 VAL N N 122.821 . 1 158 89 89 VAL H H 9.057 . 1 159 89 89 VAL CA C 60.697 . 1 160 89 89 VAL CB C 31.396 . 1 161 89 89 VAL N N 127.136 . 1 162 90 90 ASP H H 8.909 . 1 163 90 90 ASP CA C 57.999 . 1 164 90 90 ASP CB C 39.479 . 1 165 90 90 ASP N N 119.301 . 1 166 91 91 THR H H 7.456 . 1 167 91 91 THR CA C 59.905 . 1 168 91 91 THR CB C 67.383 . 1 169 91 91 THR N N 106.4 . 1 170 92 92 ALA H H 6.491 . 1 171 92 92 ALA CA C 49.988 . 1 172 92 92 ALA CB C 21.183 . 1 173 92 92 ALA N N 113.886 . 1 174 93 93 TRP H H 6.939 . 1 175 93 93 TRP CA C 59.26 . 1 176 93 93 TRP CB C 28.8 . 1 177 93 93 TRP N N 114.25 . 1 178 94 94 THR H H 6.945 . 1 179 94 94 THR CA C 57.422 . 1 180 94 94 THR CB C 73.187 . 1 181 94 94 THR N N 99.036 . 1 182 95 95 ASP CA C 58.066 . 1 183 95 95 ASP CB C 40.241 . 1 184 96 96 ASP H H 8.612 . 1 185 96 96 ASP CA C 57.299 . 1 186 96 96 ASP CB C 40.415 . 1 187 96 96 ASP N N 120.429 . 1 188 97 97 GLN H H 7.731 . 1 189 97 97 GLN CA C 57.848 . 1 190 97 97 GLN CB C 29.714 . 1 191 97 97 GLN N N 117.251 . 1 192 98 98 THR H H 7.898 . 1 193 98 98 THR CA C 66.728 . 1 194 98 98 THR CB C 67.487 . 1 195 98 98 THR N N 117.578 . 1 196 99 99 ALA H H 8.694 . 1 197 99 99 ALA CA C 54.881 . 1 198 99 99 ALA CB C 16.393 . 1 199 99 99 ALA N N 125.429 . 1 200 100 100 GLN H H 7.457 . 1 201 100 100 GLN CA C 59.221 . 1 202 100 100 GLN CB C 27.8 . 1 203 100 100 GLN N N 117.458 . 1 204 101 101 ILE H H 7.624 . 1 205 101 101 ILE CA C 66.137 . 1 206 101 101 ILE CB C 36.444 . 1 207 101 101 ILE N N 121.078 . 1 208 102 102 LEU H H 7.42 . 1 209 102 102 LEU CA C 57.249 . 1 210 102 102 LEU CB C 38.097 . 1 211 102 102 LEU N N 116.465 . 1 212 112 112 PRO CA C 61.671 . 1 213 112 112 PRO CB C 31.202 . 1 214 113 113 VAL H H 8.388 . 1 215 113 113 VAL CA C 60.576 . 1 216 113 113 VAL CB C 29.531 . 1 217 113 113 VAL N N 122.105 . 1 218 114 114 ALA H H 9.006 . 1 219 114 114 ALA CA C 53.345 . 1 220 114 114 ALA CB C 20.748 . 1 221 114 114 ALA N N 129.762 . 1 222 115 115 LEU H H 7.218 . 1 223 115 115 LEU CA C 53.728 . 1 224 115 115 LEU CB C 42.26 . 1 225 115 115 LEU N N 111.029 . 1 226 116 116 ALA H H 8.688 . 1 227 116 116 ALA CA C 48.982 . 1 228 116 116 ALA CB C 22.936 . 1 229 116 116 ALA N N 120.614 . 1 230 117 117 VAL H H 8.762 . 1 231 117 117 VAL CA C 58.506 . 1 232 117 117 VAL CB C 33.854 . 1 233 117 117 VAL N N 122.093 . 1 234 118 118 VAL H H 8.201 . 1 235 118 118 VAL CA C 58.091 . 1 236 118 118 VAL CB C 32.581 . 1 237 118 118 VAL N N 119.436 . 1 238 119 119 THR H H 10.524 . 1 239 119 119 THR CA C 65.155 . 1 240 119 119 THR CB C 69.68 . 1 241 119 119 THR N N 112.377 . 1 242 120 120 HIS H H 6.731 . 1 243 120 120 HIS CA C 57.852 . 1 244 120 120 HIS CB C 29.043 . 1 245 120 120 HIS N N 107.773 . 1 246 121 121 ALA H H 8.584 . 1 247 121 121 ALA CA C 51.163 . 1 248 121 121 ALA CB C 16.181 . 1 249 121 121 ALA N N 121.917 . 1 250 122 122 HIS H H 7.109 . 1 251 122 122 HIS CA C 51.902 . 1 252 122 122 HIS CB C 36.842 . 1 253 122 122 HIS N N 118.236 . 1 254 123 123 GLN H H 9.43 . 1 255 123 123 GLN CA C 59.023 . 1 256 123 123 GLN CB C 27.999 . 1 257 123 123 GLN N N 123.729 . 1 258 124 124 ASP H H 8.911 . 1 259 124 124 ASP CA C 54.686 . 1 260 124 124 ASP CB C 32.395 . 1 261 124 124 ASP N N 108.489 . 1 262 126 126 MET CA C 54.772 . 1 263 126 126 MET CB C 35.236 . 1 264 127 127 GLY H H 7.72 . 1 265 127 127 GLY CA C 46.832 . 1 266 127 127 GLY N N 112.357 . 1 267 128 128 GLY H H 7.927 . 1 268 128 128 GLY CA C 44.042 . 1 269 128 128 GLY N N 105.25 . 1 270 129 129 MET H H 6.487 . 1 271 129 129 MET CA C 56.359 . 1 272 129 129 MET CB C 30.185 . 1 273 129 129 MET N N 116.364 . 1 274 130 130 ASP H H 8.805 . 1 275 130 130 ASP CA C 57.504 . 1 276 130 130 ASP CB C 39.904 . 1 277 130 130 ASP N N 117.718 . 1 278 131 131 ALA H H 7.557 . 1 279 131 131 ALA CA C 54.355 . 1 280 131 131 ALA CB C 17.791 . 1 281 131 131 ALA N N 121.83 . 1 282 132 132 LEU H H 7.013 . 1 283 132 132 LEU CA C 56.927 . 1 284 132 132 LEU CB C 39.066 . 1 285 132 132 LEU N N 115.515 . 1 286 133 133 HIS H H 8.211 . 1 287 133 133 HIS CA C 56.562 . 1 288 133 133 HIS CB C 27.406 . 1 289 133 133 HIS N N 120.615 . 1 290 134 134 ALA H H 8.751 . 1 291 134 134 ALA CA C 54.114 . 1 292 134 134 ALA CB C 16.839 . 1 293 134 134 ALA N N 124.988 . 1 294 135 135 ALA H H 6.92 . 1 295 135 135 ALA CA C 51.08 . 1 296 135 135 ALA CB C 18.516 . 1 297 135 135 ALA N N 118.528 . 1 298 136 136 GLY H H 7.864 . 1 299 136 136 GLY CA C 45.465 . 1 300 136 136 GLY N N 108.393 . 1 301 137 137 ILE H H 7.501 . 1 302 137 137 ILE CA C 60.828 . 1 303 137 137 ILE CB C 37.828 . 1 304 137 137 ILE N N 122.688 . 1 305 138 138 ALA H H 7.659 . 1 306 138 138 ALA CA C 51.847 . 1 307 138 138 ALA CB C 19.019 . 1 308 138 138 ALA N N 130.745 . 1 309 139 139 THR H H 7.182 . 1 310 139 139 THR CA C 58.878 . 1 311 139 139 THR CB C 71.062 . 1 312 139 139 THR N N 109.893 . 1 313 140 140 TYR H H 8.813 . 1 314 140 140 TYR CA C 56.675 . 1 315 140 140 TYR CB C 42.243 . 1 316 140 140 TYR N N 119.931 . 1 317 141 141 ALA H H 8.074 . 1 318 141 141 ALA CA C 50.047 . 1 319 141 141 ALA CB C 22.907 . 1 320 141 141 ALA N N 119.462 . 1 321 142 142 ASN H H 10.171 . 1 322 142 142 ASN CA C 53.755 . 1 323 142 142 ASN CB C 36.514 . 1 324 142 142 ASN N N 120.388 . 1 325 143 143 ALA H H 9.231 . 1 326 143 143 ALA CA C 55.385 . 1 327 143 143 ALA CB C 17.659 . 1 328 143 143 ALA N N 134.237 . 1 329 144 144 LEU H H 7.297 . 1 330 144 144 LEU CA C 56.7 . 1 331 144 144 LEU CB C 40.948 . 1 332 144 144 LEU N N 115.066 . 1 333 145 145 SER H H 7.304 . 1 334 145 145 SER CA C 60.408 . 1 335 145 145 SER CB C 61.407 . 1 336 145 145 SER N N 114.782 . 1 337 146 146 ASN H H 7.216 . 1 338 146 146 ASN CA C 54.649 . 1 339 146 146 ASN CB C 36.546 . 1 340 146 146 ASN N N 117.794 . 1 341 147 147 GLN H H 7.344 . 1 342 147 147 GLN CA C 57.348 . 1 343 147 147 GLN CB C 27.826 . 1 344 147 147 GLN N N 119.625 . 1 345 148 148 LEU H H 7.711 . 1 346 148 148 LEU CA C 56.362 . 1 347 148 148 LEU CB C 41.918 . 1 348 148 148 LEU N N 119.249 . 1 349 149 149 ALA H H 7.975 . 1 350 149 149 ALA CA C 57.075 . 1 351 149 149 ALA CB C 13.655 . 1 352 149 149 ALA N N 119.981 . 1 353 150 150 PRO CA C 65.162 . 1 354 150 150 PRO CB C 29.683 . 1 355 151 151 GLN H H 7.333 . 1 356 151 151 GLN CA C 57.5 . 1 357 151 151 GLN CB C 27.381 . 1 358 151 151 GLN N N 117.241 . 1 359 152 152 GLU H H 7.452 . 1 360 152 152 GLU CA C 54.253 . 1 361 152 152 GLU CB C 29.326 . 1 362 152 152 GLU N N 117.483 . 1 363 153 153 GLY H H 7.544 . 1 364 153 153 GLY CA C 45.435 . 1 365 153 153 GLY N N 107.051 . 1 366 154 154 MET H H 7.81 . 1 367 154 154 MET CA C 52.956 . 1 368 154 154 MET CB C 35.518 . 1 369 154 154 MET N N 119.441 . 1 370 155 155 VAL H H 8.229 . 1 371 155 155 VAL CA C 61.52 . 1 372 155 155 VAL CB C 32.174 . 1 373 155 155 VAL N N 124.07 . 1 374 156 156 ALA H H 7.68 . 1 375 156 156 ALA CA C 51.538 . 1 376 156 156 ALA CB C 18.418 . 1 377 156 156 ALA N N 123.727 . 1 378 157 157 ALA H H 7.53 . 1 379 157 157 ALA CA C 50.889 . 1 380 157 157 ALA CB C 18.583 . 1 381 157 157 ALA N N 119.407 . 1 382 158 158 GLN H H 8.495 . 1 383 158 158 GLN CA C 56.9 . 1 384 158 158 GLN CB C 27.871 . 1 385 158 158 GLN N N 119.11 . 1 386 159 159 HIS H H 7.821 . 1 387 159 159 HIS CA C 54.07 . 1 388 159 159 HIS CB C 32.604 . 1 389 159 159 HIS N N 115.338 . 1 390 160 160 SER H H 9.009 . 1 391 160 160 SER CA C 57.052 . 1 392 160 160 SER CB C 64.179 . 1 393 160 160 SER N N 119.172 . 1 394 161 161 LEU H H 9.148 . 1 395 161 161 LEU CA C 53.035 . 1 396 161 161 LEU CB C 42.474 . 1 397 161 161 LEU N N 126.41 . 1 398 162 162 THR H H 7.361 . 1 399 162 162 THR CA C 59.752 . 1 400 162 162 THR CB C 69.917 . 1 401 162 162 THR N N 113.031 . 1 402 163 163 PHE H H 8.643 . 1 403 163 163 PHE CA C 57.506 . 1 404 163 163 PHE CB C 41.001 . 1 405 163 163 PHE N N 118.573 . 1 406 164 164 ALA H H 8.622 . 1 407 164 164 ALA CA C 50.799 . 1 408 164 164 ALA CB C 19.106 . 1 409 164 164 ALA N N 125.296 . 1 410 165 165 ALA CA C 51.925 . 1 411 165 165 ALA CB C 14.158 . 1 412 166 166 ASN CA C 51.935 . 1 413 166 166 ASN CB C 36.721 . 1 414 167 167 GLY H H 7.939 . 1 415 167 167 GLY CA C 45.424 . 1 416 167 167 GLY N N 107.964 . 1 417 168 168 TRP H H 7.596 . 1 418 168 168 TRP N N 122.102 . 1 419 168 168 TRP CA C 57.58 . 1 420 168 168 TRP CB C 28.838 . 1 421 169 169 VAL H H 8.097 . 1 422 169 169 VAL CA C 61.376 . 1 423 169 169 VAL CB C 31.136 . 1 424 169 169 VAL N N 122.476 . 1 425 170 170 GLU H H 8.625 . 1 426 170 170 GLU CA C 53.789 . 1 427 170 170 GLU CB C 27.641 . 1 428 170 170 GLU N N 128.905 . 1 429 171 171 PRO CA C 65.091 . 1 430 171 171 PRO CB C 31.282 . 1 431 172 172 ALA H H 8.645 . 1 432 172 172 ALA CA C 53.923 . 1 433 172 172 ALA CB C 17.544 . 1 434 172 172 ALA N N 119.015 . 1 435 173 173 THR H H 7.817 . 1 436 173 173 THR CA C 60.799 . 1 437 173 173 THR CB C 69.712 . 1 438 173 173 THR N N 105.59 . 1 439 174 174 ALA H H 6.711 . 1 440 174 174 ALA CA C 48.618 . 1 441 174 174 ALA CB C 17.859 . 1 442 174 174 ALA N N 124.497 . 1 443 179 179 PRO CA C 62.476 . 1 444 179 179 PRO CB C 31.601 . 1 445 180 180 LEU H H 7.678 . 1 446 180 180 LEU CA C 54.961 . 1 447 180 180 LEU CB C 39.846 . 1 448 180 180 LEU N N 119.745 . 1 449 181 181 LYS H H 9.008 . 1 450 181 181 LYS CA C 53.621 . 1 451 181 181 LYS CB C 31.808 . 1 452 181 181 LYS N N 127.764 . 1 453 182 182 VAL H H 8.424 . 1 454 182 182 VAL CA C 62.747 . 1 455 182 182 VAL CB C 31.445 . 1 456 182 182 VAL N N 124.872 . 1 457 183 183 PHE H H 8.702 . 1 458 183 183 PHE CA C 55.752 . 1 459 183 183 PHE CB C 42.714 . 1 460 183 183 PHE N N 128.271 . 1 461 184 184 TYR H H 9.167 . 1 462 184 184 TYR CA C 51.979 . 1 463 184 184 TYR CB C 36.19 . 1 464 184 184 TYR N N 134.293 . 1 465 187 187 PRO CA C 61.816 . 1 466 187 187 PRO CB C 32.683 . 1 467 188 188 GLY H H 7.429 . 1 468 188 188 GLY CA C 46.619 . 1 469 188 188 GLY N N 108.143 . 1 470 189 189 HIS H H 7.033 . 1 471 189 189 HIS CA C 60.005 . 1 472 189 189 HIS CB C 26.036 . 1 473 189 189 HIS N N 132.38 . 1 474 190 190 THR H H 7.292 . 1 475 190 190 THR CA C 59.414 . 1 476 190 190 THR CB C 72.321 . 1 477 190 190 THR N N 103.203 . 1 478 191 191 SER H H 9.339 . 1 479 191 191 SER CA C 61.051 . 1 480 191 191 SER CB C 62.064 . 1 481 191 191 SER N N 116.28 . 1 482 192 192 ASP H H 9.147 . 1 483 192 192 ASP CA C 52.319 . 1 484 192 192 ASP CB C 39.569 . 1 485 192 192 ASP N N 114.113 . 1 486 193 193 ASN H H 6.475 . 1 487 193 193 ASN CA C 53.976 . 1 488 193 193 ASN CB C 37.929 . 1 489 193 193 ASN N N 116.813 . 1 490 194 194 ILE H H 8.348 . 1 491 194 194 ILE CA C 59.616 . 1 492 194 194 ILE CB C 40.814 . 1 493 194 194 ILE N N 113.96 . 1 494 195 195 THR H H 8.787 . 1 495 195 195 THR CA C 59.874 . 1 496 195 195 THR CB C 71.783 . 1 497 195 195 THR N N 111.331 . 1 498 196 196 VAL H H 8.335 . 1 499 196 196 VAL CA C 60.075 . 1 500 196 196 VAL CB C 36.296 . 1 501 196 196 VAL N N 116.68 . 1 502 197 197 GLY H H 9.585 . 1 503 197 197 GLY CA C 42.761 . 1 504 197 197 GLY N N 117.435 . 1 505 198 198 ILE H H 6.881 . 1 506 198 198 ILE CA C 58.919 . 1 507 198 198 ILE CB C 34.875 . 1 508 198 198 ILE N N 119.521 . 1 509 199 199 ASP H H 9.599 . 1 510 199 199 ASP CA C 57.251 . 1 511 199 199 ASP CB C 38.589 . 1 512 199 199 ASP N N 131.594 . 1 513 200 200 GLY H H 8.287 . 1 514 200 200 GLY CA C 44.586 . 1 515 200 200 GLY N N 108.525 . 1 516 201 201 THR H H 7.732 . 1 517 201 201 THR CA C 59.501 . 1 518 201 201 THR CB C 71.998 . 1 519 201 201 THR N N 109.402 . 1 520 202 202 ASP H H 8.777 . 1 521 202 202 ASP CA C 53.242 . 1 522 202 202 ASP CB C 40.409 . 1 523 202 202 ASP N N 119.636 . 1 524 203 203 ILE H H 8.242 . 1 525 203 203 ILE CA C 61.189 . 1 526 203 203 ILE CB C 38.87 . 1 527 203 203 ILE N N 119.771 . 1 528 204 204 ALA H H 8.44 . 1 529 204 204 ALA CA C 51.199 . 1 530 204 204 ALA CB C 20.617 . 1 531 204 204 ALA N N 128.25 . 1 532 205 205 PHE H H 9.675 . 1 533 205 205 PHE CA C 54.853 . 1 534 205 205 PHE CB C 40.002 . 1 535 205 205 PHE N N 123.285 . 1 536 206 206 GLY H H 8.841 . 1 537 206 206 GLY CA C 43.543 . 1 538 206 206 GLY N N 112.635 . 1 539 207 207 GLY CA C 46.3 . 1 540 208 208 CYS H H 8.123 . 1 541 208 208 CYS CA C 57.887 . 1 542 208 208 CYS CB C 24.217 . 1 543 208 208 CYS N N 125.515 . 1 544 209 209 LEU H H 6.774 . 1 545 209 209 LEU CA C 56.047 . 1 546 209 209 LEU CB C 41.961 . 1 547 209 209 LEU N N 116.381 . 1 548 210 210 ILE H H 5.592 . 1 549 210 210 ILE CA C 56.232 . 1 550 210 210 ILE CB C 36.495 . 1 551 210 210 ILE N N 115.539 . 1 552 211 211 LYS H H 8.059 . 1 553 211 211 LYS CA C 52.365 . 1 554 211 211 LYS CB C 32.583 . 1 555 211 211 LYS N N 125.026 . 1 556 212 212 ASP H H 6.83 . 1 557 212 212 ASP CA C 53.554 . 1 558 212 212 ASP CB C 41.451 . 1 559 212 212 ASP N N 112.272 . 1 560 213 213 SER H H 8.6 . 1 561 213 213 SER CA C 60.431 . 1 562 213 213 SER CB C 62.237 . 1 563 213 213 SER N N 110.351 . 1 564 214 214 LYS H H 7.935 . 1 565 214 214 LYS CA C 54.413 . 1 566 214 214 LYS CB C 30.987 . 1 567 214 214 LYS N N 119.996 . 1 568 215 215 ALA H H 7.509 . 1 569 215 215 ALA CA C 52.825 . 1 570 215 215 ALA CB C 19.393 . 1 571 215 215 ALA N N 125.622 . 1 572 221 221 LEU CA C 53.635 . 1 573 221 221 LEU CB C 40.782 . 1 574 222 222 GLY H H 8.436 . 1 575 222 222 GLY CA C 47.265 . 1 576 222 222 GLY N N 110.258 . 1 577 223 223 ASP H H 8.097 . 1 578 223 223 ASP CA C 52.913 . 1 579 223 223 ASP CB C 41.554 . 1 580 223 223 ASP N N 118.622 . 1 581 224 224 ALA H H 7.123 . 1 582 224 224 ALA CA C 51.593 . 1 583 224 224 ALA CB C 20.234 . 1 584 224 224 ALA N N 122.156 . 1 585 225 225 ASP H H 8.284 . 1 586 225 225 ASP CA C 51.759 . 1 587 225 225 ASP CB C 40.846 . 1 588 225 225 ASP N N 120.767 . 1 589 226 226 THR H H 8.213 . 1 590 226 226 THR CA C 64.484 . 1 591 226 226 THR CB C 67.352 . 1 592 226 226 THR N N 114.426 . 1 593 227 227 GLU H H 7.837 . 1 594 227 227 GLU CA C 57.784 . 1 595 227 227 GLU CB C 28.522 . 1 596 227 227 GLU N N 121.662 . 1 597 228 228 HIS H H 7.523 . 1 598 228 228 HIS CA C 56.833 . 1 599 228 228 HIS CB C 30.168 . 1 600 228 228 HIS N N 114.907 . 1 601 229 229 TYR H H 7.256 . 1 602 229 229 TYR CA C 60.773 . 1 603 229 229 TYR CB C 35.972 . 1 604 229 229 TYR N N 120.846 . 1 605 230 230 ALA H H 8.814 . 1 606 230 230 ALA CA C 56.269 . 1 607 230 230 ALA CB C 17.617 . 1 608 230 230 ALA N N 121.501 . 1 609 231 231 ALA H H 7.85 . 1 610 231 231 ALA CA C 54.266 . 1 611 231 231 ALA CB C 17.003 . 1 612 231 231 ALA N N 119.791 . 1 613 232 232 SER H H 8.511 . 1 614 232 232 SER CA C 60.04 . 1 615 232 232 SER CB C 61.111 . 1 616 232 232 SER N N 119.624 . 1 617 233 233 ALA H H 8.594 . 1 618 233 233 ALA CA C 55.33 . 1 619 233 233 ALA CB C 15.986 . 1 620 233 233 ALA N N 123.844 . 1 621 234 234 ARG H H 7.96 . 1 622 234 234 ARG CA C 59.797 . 1 623 234 234 ARG CB C 28.333 . 1 624 234 234 ARG N N 115.091 . 1 625 235 235 ALA H H 8.586 . 1 626 235 235 ALA CA C 54.585 . 1 627 235 235 ALA CB C 16.78 . 1 628 235 235 ALA N N 124.946 . 1 629 236 236 PHE H H 7.879 . 1 630 236 236 PHE CA C 60.109 . 1 631 236 236 PHE CB C 37.452 . 1 632 236 236 PHE N N 118.836 . 1 633 237 237 GLY H H 7.44 . 1 634 237 237 GLY CA C 47.243 . 1 635 237 237 GLY N N 103.226 . 1 636 238 238 ALA H H 7.521 . 1 637 238 238 ALA CA C 52.531 . 1 638 238 238 ALA CB C 17.284 . 1 639 238 238 ALA N N 120.945 . 1 640 239 239 ALA H H 7.178 . 1 641 239 239 ALA CA C 53.023 . 1 642 239 239 ALA CB C 15.511 . 1 643 239 239 ALA N N 122.25 . 1 644 240 240 PHE H H 6.065 . 1 645 240 240 PHE CA C 53.728 . 1 646 240 240 PHE CB C 37.724 . 1 647 240 240 PHE N N 112.495 . 1 648 241 241 PRO CA C 64.228 . 1 649 241 241 PRO CB C 31.131 . 1 650 242 242 LYS H H 8.424 . 1 651 242 242 LYS CA C 54.581 . 1 652 242 242 LYS CB C 31.154 . 1 653 242 242 LYS N N 116.959 . 1 654 243 243 ALA H H 6.78 . 1 655 243 243 ALA CA C 52.84 . 1 656 243 243 ALA CB C 18.046 . 1 657 243 243 ALA N N 123.612 . 1 658 244 244 SER H H 8.139 . 1 659 244 244 SER CA C 57.086 . 1 660 244 244 SER CB C 63.976 . 1 661 244 244 SER N N 116.37 . 1 662 245 245 MET H H 8.234 . 1 663 245 245 MET CA C 54.815 . 1 664 245 245 MET CB C 33.349 . 1 665 245 245 MET N N 126.117 . 1 666 247 247 VAL CA C 60.336 . 1 667 247 247 VAL CB C 32.077 . 1 668 248 248 MET H H 10.006 . 1 669 248 248 MET CA C 53.813 . 1 670 248 248 MET CB C 37.503 . 1 671 248 248 MET N N 128.716 . 1 672 249 249 SER H H 7.154 . 1 673 249 249 SER CA C 59.365 . 1 674 249 249 SER CB C 61.856 . 1 675 249 249 SER N N 112.731 . 1 676 250 250 HIS H H 8.114 . 1 677 250 250 HIS CA C 53.741 . 1 678 250 250 HIS CB C 28.144 . 1 679 250 250 HIS N N 112.994 . 1 680 251 251 SER H H 6.958 . 1 681 251 251 SER CA C 57.276 . 1 682 251 251 SER CB C 66.951 . 1 683 251 251 SER N N 114.112 . 1 684 252 252 ALA H H 8.27 . 1 685 252 252 ALA CA C 51.014 . 1 686 252 252 ALA CB C 16.086 . 1 687 252 252 ALA N N 126.088 . 1 688 253 253 PRO CA C 63.642 . 1 689 253 253 PRO CB C 30.996 . 1 690 254 254 ASP H H 8.595 . 1 691 254 254 ASP CA C 50.692 . 1 692 254 254 ASP CB C 45.793 . 1 693 254 254 ASP N N 122.286 . 1 694 255 255 SER H H 9.095 . 1 695 255 255 SER CA C 56.511 . 1 696 255 255 SER CB C 64.751 . 1 697 255 255 SER N N 116.156 . 1 698 256 256 ARG H H 8.437 . 1 699 256 256 ARG CA C 59.986 . 1 700 256 256 ARG CB C 29.02 . 1 701 256 256 ARG N N 115.519 . 1 702 257 257 ALA CA C 54.216 . 1 703 257 257 ALA CB C 17.121 . 1 704 258 258 ALA H H 7.874 . 1 705 258 258 ALA CA C 55.444 . 1 706 258 258 ALA CB C 18.786 . 1 707 258 258 ALA N N 119.871 . 1 708 259 259 ILE H H 7.673 . 1 709 259 259 ILE CA C 65.536 . 1 710 259 259 ILE CB C 37.217 . 1 711 259 259 ILE N N 118.742 . 1 712 260 260 THR H H 7.083 . 1 713 260 260 THR CA C 65.101 . 1 714 260 260 THR CB C 68.02 . 1 715 260 260 THR N N 113.441 . 1 716 261 261 HIS H H 8.515 . 1 717 261 261 HIS CA C 59.374 . 1 718 261 261 HIS CB C 31.445 . 1 719 261 261 HIS N N 121.978 . 1 720 262 262 THR H H 7.976 . 1 721 262 262 THR CA C 67.902 . 1 722 262 262 THR CB C 72.89 . 1 723 262 262 THR N N 115.78 . 1 724 263 263 ALA H H 8.222 . 1 725 263 263 ALA CA C 55.434 . 1 726 263 263 ALA CB C 16.977 . 1 727 263 263 ALA N N 122.062 . 1 728 264 264 ARG H H 7.84 . 1 729 264 264 ARG CA C 58.89 . 1 730 264 264 ARG CB C 28.686 . 1 731 264 264 ARG N N 117.786 . 1 732 265 265 MET H H 7.974 . 1 733 265 265 MET CA C 59.311 . 1 734 265 265 MET CB C 32.884 . 1 735 265 265 MET N N 119.571 . 1 736 266 266 ALA H H 8.316 . 1 737 266 266 ALA CA C 53.713 . 1 738 266 266 ALA CB C 15.449 . 1 739 266 266 ALA N N 122.896 . 1 740 267 267 ASP H H 8.67 . 1 741 267 267 ASP CA C 56.941 . 1 742 267 267 ASP CB C 39.346 . 1 743 267 267 ASP N N 125.328 . 1 744 268 268 LYS H H 7.062 . 1 745 268 268 LYS CA C 58.058 . 1 746 268 268 LYS CB C 31.01 . 1 747 268 268 LYS N N 118.472 . 1 stop_ save_