data_19825 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HLA-B*35:01 with peptide VPLRAMTY ; _BMRB_accession_number 19825 _BMRB_flat_file_name bmr19825.str _Entry_type original _Submission_date 2014-03-02 _Accession_date 2014-03-02 _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 Yanaka Saeko . . 2 Sugase Kenji . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 215 "13C chemical shifts" 617 "15N chemical shifts" 213 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-12 original BMRB . stop_ _Original_release_date 2014-03-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Peptide-dependent conformational fluctuation determines the stability of the human leukocyte antigen class I complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25028510 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yanaka Saeko . . 2 Ueno Takamasa . . 3 Yi Shi . . 4 Qi Jianxun . . 5 Gao George F. . 6 Tsumoto Kouhei . . 7 Sugase Kenji . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 289 _Journal_issue 35 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 24680 _Page_last 24690 _Year 2014 _Details . loop_ _Keyword HLA-B*35:01 'Relaxation dispersion' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HLA-B*35:01 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label beta-2-microglobulin $HLA-B-35-01_with_peptide_VPLRAMTY 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_HLA-B-35-01_with_peptide_VPLRAMTY _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HLA-B*35:01_with_peptide_VPLRAMTY _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 276 _Mol_residue_sequence ; GSHSMRYFYTAMSRPGRGEP RFIAVGYVDDTQFVRFDSDA ASPRTEPRPPWIEQEGPEYW DRNTQIFKTNTQTYRESLRN LRGYYNQSEAGSHIIQRMYG CDLGPDGRLLRGHDQSAYDG KDYIALNEDLSSWTAADTAA QITQRKWEAARVAEQLRAYL EGLCVEWLRRYLENGKETLQ RADPPKTHVTHHPVSDHEAT LRCWALGFYPAEITLTWQRD GEDQTQDTELVETRPAGDRT FQKWAAVVVPSGEEQRYTCH VQHEGLPKPLTLRWEP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 SER 3 4 HIS 4 5 SER 5 6 MET 6 7 ARG 7 8 TYR 8 9 PHE 9 10 TYR 10 11 THR 11 12 ALA 12 13 MET 13 14 SER 14 15 ARG 15 16 PRO 16 17 GLY 17 18 ARG 18 19 GLY 19 20 GLU 20 21 PRO 21 22 ARG 22 23 PHE 23 24 ILE 24 25 ALA 25 26 VAL 26 27 GLY 27 28 TYR 28 29 VAL 29 30 ASP 30 31 ASP 31 32 THR 32 33 GLN 33 34 PHE 34 35 VAL 35 36 ARG 36 37 PHE 37 38 ASP 38 39 SER 39 40 ASP 40 41 ALA 41 42 ALA 42 43 SER 43 44 PRO 44 45 ARG 45 46 THR 46 47 GLU 47 48 PRO 48 49 ARG 49 50 ALA 50 51 PRO 51 52 TRP 52 53 ILE 53 54 GLU 54 55 GLN 55 56 GLU 56 57 GLY 57 58 PRO 58 59 GLU 59 60 TYR 60 61 TRP 61 62 ASP 62 63 ARG 63 64 ASN 64 65 THR 65 66 GLN 66 67 ILE 67 68 PHE 68 69 LYS 69 70 THR 70 71 ASN 71 72 THR 72 73 GLN 73 74 THR 74 75 TYR 75 76 ARG 76 77 GLU 77 78 SER 78 79 LEU 79 80 ARG 80 81 ASN 81 82 LEU 82 83 ARG 83 84 GLY 84 85 TYR 85 86 TYR 86 87 ASN 87 88 GLN 88 89 SER 89 90 GLU 90 91 ALA 91 92 GLY 92 93 SER 93 94 HIS 94 95 ILE 95 96 ILE 96 97 GLN 97 98 ARG 98 99 MET 99 100 TYR 100 101 GLY 101 102 CYS 102 103 ASP 103 104 LEU 104 105 GLY 105 106 PRO 106 107 ASP 107 108 GLY 108 109 ARG 109 110 LEU 110 111 LEU 111 112 ARG 112 113 GLY 113 114 HIS 114 115 ASP 115 116 GLN 116 117 SER 117 118 ALA 118 119 TYR 119 120 ASP 120 121 GLY 121 122 LYS 122 123 ASP 123 124 TYR 124 125 ILE 125 126 ALA 126 127 LEU 127 128 ASN 128 129 GLU 129 130 ASP 130 131 LEU 131 132 SER 132 133 SER 133 134 TRP 134 135 THR 135 136 ALA 136 137 ALA 137 138 ASP 138 139 THR 139 140 ALA 140 141 ALA 141 142 GLN 142 143 ILE 143 144 THR 144 145 GLN 145 146 ARG 146 147 LYS 147 148 TRP 148 149 GLU 149 150 ALA 150 151 ALA 151 152 ARG 152 153 VAL 153 154 ALA 154 155 GLU 155 156 GLN 156 157 LEU 157 158 ARG 158 159 ALA 159 160 TYR 160 161 LEU 161 162 GLU 162 163 GLY 163 164 LEU 164 165 CYS 165 166 VAL 166 167 GLU 167 168 TRP 168 169 LEU 169 170 ARG 170 171 ARG 171 172 TYR 172 173 LEU 173 174 GLU 174 175 ASN 175 176 GLY 176 177 LYS 177 178 GLU 178 179 THR 179 180 LEU 180 181 GLN 181 182 ARG 182 183 ALA 183 184 ASP 184 185 PRO 185 186 PRO 186 187 LYS 187 188 THR 188 189 HIS 189 190 VAL 190 191 THR 191 192 HIS 192 193 HIS 193 194 PRO 194 195 VAL 195 196 SER 196 197 ASP 197 198 HIS 198 199 GLU 199 200 ALA 200 201 THR 201 202 LEU 202 203 ARG 203 204 CYS 204 205 TRP 205 206 ALA 206 207 LEU 207 208 GLY 208 209 PHE 209 210 TYR 210 211 PRO 211 212 ALA 212 213 GLU 213 214 ILE 214 215 THR 215 216 LEU 216 217 THR 217 218 TRP 218 219 GLN 219 220 ARG 220 221 ASP 221 222 GLY 222 223 GLU 223 224 ASP 224 225 GLN 225 226 THR 226 227 GLN 227 228 ASP 228 229 THR 229 230 GLU 230 231 LEU 231 232 VAL 232 233 GLU 233 234 THR 234 235 ARG 235 236 PRO 236 237 ALA 237 238 GLY 238 239 ASP 239 240 ARG 240 241 THR 241 242 PHE 242 243 GLN 243 244 LYS 244 245 TRP 245 246 ALA 246 247 ALA 247 248 VAL 248 249 VAL 249 250 VAL 250 251 PRO 251 252 SER 252 253 GLY 253 254 GLU 254 255 GLU 255 256 GLN 256 257 ARG 257 258 TYR 258 259 THR 259 260 CYS 260 261 HIS 261 262 VAL 262 263 GLN 263 264 HIS 264 265 GLU 265 266 GLY 266 267 LEU 267 268 PRO 268 269 LYS 269 270 PRO 270 271 LEU 271 272 THR 272 273 LEU 273 274 ARG 274 275 TRP 275 276 GLU 276 277 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HLA-B-35-01_with_peptide_VPLRAMTY Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HLA-B-35-01_with_peptide_VPLRAMTY 'recombinant technology' . Escherichia coli . pET-22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HLA-B-35-01_with_peptide_VPLRAMTY . uM 800 900 '[U-13C; U-15N; U-2H]' 'potassium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 143 mM . . 'natural abundance' 'sodium azide' 2 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . '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 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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 pH 7.4 . 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 DSS C 13 'methyl protons' ppm . . . . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm . . . . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HCACO' 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 beta-2-microglobulin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 1 GLY H H 7.109 0.02 1 2 2 1 GLY C C 172.261 0.30 1 3 2 1 GLY CA C 43.356 0.30 1 4 2 1 GLY N N 118.099 0.30 1 5 3 2 SER H H 7.991 0.02 1 6 3 2 SER C C 173.683 0.30 1 7 3 2 SER CA C 57.358 0.30 1 8 3 2 SER CB C 63.426 0.30 1 9 3 2 SER N N 116.247 0.30 1 10 4 3 HIS H H 8.336 0.02 1 11 4 3 HIS C C 174.049 0.30 1 12 4 3 HIS CA C 54.812 0.30 1 13 4 3 HIS CB C 33.480 0.30 1 14 4 3 HIS N N 118.855 0.30 1 15 5 4 SER H H 9.452 0.02 1 16 5 4 SER C C 172.570 0.30 1 17 5 4 SER CA C 57.123 0.30 1 18 5 4 SER CB C 66.956 0.30 1 19 5 4 SER N N 116.532 0.30 1 20 6 5 MET H H 8.881 0.02 1 21 6 5 MET C C 175.966 0.30 1 22 6 5 MET CA C 54.562 0.30 1 23 6 5 MET CB C 38.541 0.30 1 24 6 5 MET N N 122.780 0.30 1 25 7 6 ARG H H 9.088 0.02 1 26 7 6 ARG C C 174.423 0.30 1 27 7 6 ARG CA C 53.365 0.30 1 28 7 6 ARG CB C 35.668 0.30 1 29 7 6 ARG N N 126.283 0.30 1 30 8 7 TYR H H 8.148 0.02 1 31 8 7 TYR C C 173.733 0.30 1 32 8 7 TYR CA C 57.040 0.30 1 33 8 7 TYR CB C 41.859 0.30 1 34 8 7 TYR N N 118.447 0.30 1 35 9 8 PHE H H 8.919 0.02 1 36 9 8 PHE C C 176.232 0.30 1 37 9 8 PHE CA C 55.809 0.30 1 38 9 8 PHE CB C 38.950 0.30 1 39 9 8 PHE N N 117.146 0.30 1 40 10 9 TYR H H 10.393 0.02 1 41 10 9 TYR C C 175.737 0.30 1 42 10 9 TYR CA C 52.101 0.30 1 43 10 9 TYR CB C 39.299 0.30 1 44 10 9 TYR N N 124.202 0.30 1 45 11 10 THR H H 9.126 0.02 1 46 11 10 THR C C 172.088 0.30 1 47 11 10 THR CA C 63.243 0.30 1 48 11 10 THR CB C 69.710 0.30 1 49 11 10 THR N N 119.383 0.30 1 50 12 11 ALA H H 9.352 0.02 1 51 12 11 ALA C C 175.529 0.30 1 52 12 11 ALA CA C 49.224 0.30 1 53 12 11 ALA CB C 21.804 0.30 1 54 12 11 ALA N N 128.944 0.30 1 55 13 12 MET H H 9.088 0.02 1 56 13 12 MET C C 175.277 0.30 1 57 13 12 MET CA C 52.883 0.30 1 58 13 12 MET CB C 36.118 0.30 1 59 13 12 MET N N 120.759 0.30 1 60 14 13 SER H H 9.304 0.02 1 61 14 13 SER C C 173.504 0.30 1 62 14 13 SER CA C 56.059 0.30 1 63 14 13 SER CB C 64.668 0.30 1 64 14 13 SER N N 119.617 0.30 1 65 15 14 ARG H H 9.498 0.02 1 66 15 14 ARG C C 172.290 0.30 1 67 15 14 ARG CA C 52.667 0.30 1 68 15 14 ARG CB C 29.369 0.30 1 69 15 14 ARG N N 119.873 0.30 1 70 18 17 ARG H H 8.405 0.02 1 71 18 17 ARG C C 175.838 0.30 1 72 18 17 ARG CA C 54.862 0.30 1 73 18 17 ARG CB C 30.377 0.30 1 74 18 17 ARG N N 120.591 0.30 1 75 19 18 GLY H H 7.952 0.02 1 76 19 18 GLY C C 173.748 0.30 1 77 19 18 GLY CA C 44.169 0.30 1 78 19 18 GLY N N 108.033 0.30 1 79 20 19 GLU H H 8.490 0.02 1 80 20 19 GLU C C 174.947 0.30 1 81 20 19 GLU CA C 54.263 0.30 1 82 20 19 GLU CB C 28.981 0.30 1 83 20 19 GLU N N 120.776 0.30 1 84 22 21 ARG H H 8.378 0.02 1 85 22 21 ARG C C 173.481 0.30 1 86 22 21 ARG CA C 54.444 0.30 1 87 22 21 ARG CB C 32.966 0.30 1 88 22 21 ARG N N 125.388 0.30 1 89 23 22 PHE H H 9.411 0.02 1 90 23 22 PHE C C 172.282 0.30 1 91 23 22 PHE CA C 56.501 0.30 1 92 23 22 PHE CB C 43.043 0.30 1 93 23 22 PHE N N 129.380 0.30 1 94 24 23 ILE H H 8.592 0.02 1 95 24 23 ILE C C 173.532 0.30 1 96 24 23 ILE CA C 58.321 0.30 1 97 24 23 ILE CB C 41.355 0.30 1 98 24 23 ILE N N 126.928 0.30 1 99 25 24 ALA H H 8.907 0.02 1 100 25 24 ALA C C 176.463 0.30 1 101 25 24 ALA CA C 49.258 0.30 1 102 25 24 ALA CB C 24.947 0.30 1 103 25 24 ALA N N 126.005 0.30 1 104 26 25 VAL H H 8.760 0.02 1 105 26 25 VAL C C 174.588 0.30 1 106 26 25 VAL CA C 59.285 0.30 1 107 26 25 VAL CB C 35.730 0.30 1 108 26 25 VAL N N 112.966 0.30 1 109 27 26 GLY H H 7.257 0.02 1 110 27 26 GLY C C 171.879 0.30 1 111 27 26 GLY N N 108.456 0.30 1 112 28 27 TYR H H 9.679 0.02 1 113 28 27 TYR C C 176.401 0.30 1 114 28 27 TYR CB C 43.139 0.30 1 115 28 27 TYR N N 125.353 0.30 1 116 29 28 VAL H H 9.052 0.02 1 117 29 28 VAL C C 175.966 0.30 1 118 29 28 VAL CA C 62.062 0.30 1 119 29 28 VAL CB C 32.433 0.30 1 120 30 29 ASP H H 9.546 0.02 1 121 30 29 ASP C C 175.622 0.30 1 122 30 29 ASP CA C 55.959 0.30 1 123 30 29 ASP CB C 37.437 0.30 1 124 30 29 ASP N N 127.152 0.30 1 125 35 34 VAL H H 6.718 0.02 1 126 35 34 VAL CB C 36.894 0.30 1 127 35 34 VAL N N 117.910 0.30 1 128 36 35 ARG H H 8.491 0.02 1 129 36 35 ARG C C 173.001 0.30 1 130 36 35 ARG CA C 54.429 0.30 1 131 36 35 ARG CB C 33.961 0.30 1 132 36 35 ARG N N 121.642 0.30 1 133 37 36 PHE H H 8.978 0.02 1 134 37 36 PHE C C 172.282 0.30 1 135 37 36 PHE CA C 57.964 0.30 1 136 37 36 PHE CB C 43.400 0.30 1 137 37 36 PHE N N 122.825 0.30 1 138 38 37 ASP H H 7.777 0.02 1 139 38 37 ASP C C 176.211 0.30 1 140 38 37 ASP CA C 51.546 0.30 1 141 38 37 ASP CB C 42.519 0.30 1 142 38 37 ASP N N 128.516 0.30 1 143 39 38 SER H H 9.452 0.02 1 144 39 38 SER C C 174.946 0.30 1 145 39 38 SER CA C 61.011 0.30 1 146 39 38 SER CB C 62.767 0.30 1 147 39 38 SER N N 123.037 0.30 1 148 40 39 ASP H H 8.361 0.02 1 149 40 39 ASP C C 176.121 0.30 1 150 40 39 ASP CA C 53.738 0.30 1 151 40 39 ASP CB C 40.093 0.30 1 152 40 39 ASP N N 123.333 0.30 1 153 41 40 ALA H H 7.548 0.02 1 154 41 40 ALA C C 176.670 0.30 1 155 41 40 ALA CA C 51.602 0.30 1 156 41 40 ALA N N 124.357 0.30 1 157 42 41 ALA H H 8.403 0.02 1 158 42 41 ALA C C 179.320 0.30 1 159 42 41 ALA CA C 54.446 0.30 1 160 42 41 ALA CB C 17.422 0.30 1 161 42 41 ALA N N 123.875 0.30 1 162 43 42 SER H H 7.974 0.02 1 163 43 42 SER C C 176.398 0.30 1 164 43 42 SER CA C 53.864 0.30 1 165 43 42 SER N N 111.170 0.30 1 166 45 44 ARG H H 8.143 0.02 1 167 45 44 ARG C C 174.552 0.30 1 168 45 44 ARG CA C 54.213 0.30 1 169 45 44 ARG CB C 32.162 0.30 1 170 46 45 THR H H 8.156 0.02 1 171 46 45 THR C C 173.766 0.30 1 172 46 45 THR CA C 64.474 0.30 1 173 46 45 THR CB C 68.003 0.30 1 174 46 45 THR N N 120.536 0.30 1 175 47 46 GLU H H 9.185 0.02 1 176 47 46 GLU C C 174.071 0.30 1 177 47 46 GLU CA C 52.567 0.30 1 178 47 46 GLU CB C 32.006 0.30 1 179 47 46 GLU N N 125.949 0.30 1 180 49 48 ARG H H 7.793 0.02 1 181 49 48 ARG C C 173.468 0.30 1 182 49 48 ARG CA C 52.467 0.30 1 183 49 48 ARG CB C 30.843 0.30 1 184 49 48 ARG N N 116.924 0.30 1 185 50 49 ALA H H 6.888 0.02 1 186 50 49 ALA C C 176.555 0.30 1 187 50 49 ALA CA C 49.041 0.30 1 188 50 49 ALA CB C 18.740 0.30 1 189 50 49 ALA N N 119.366 0.30 1 190 53 52 ILE H H 7.773 0.02 1 191 53 52 ILE C C 176.455 0.30 1 192 53 52 ILE CA C 65.366 0.30 1 193 53 52 ILE CB C 35.435 0.30 1 194 53 52 ILE N N 123.591 0.30 1 195 54 53 GLU H H 7.266 0.02 1 196 54 53 GLU C C 176.879 0.30 1 197 54 53 GLU CA C 58.787 0.30 1 198 54 53 GLU CB C 28.593 0.30 1 199 54 53 GLU N N 120.841 0.30 1 200 55 54 GLN H H 7.615 0.02 1 201 55 54 GLN C C 177.115 0.30 1 202 55 54 GLN CA C 55.810 0.30 1 203 55 54 GLN CB C 28.632 0.30 1 204 55 54 GLN N N 113.326 0.30 1 205 56 55 GLU H H 7.711 0.02 1 206 56 55 GLU C C 178.156 0.30 1 207 56 55 GLU CA C 56.325 0.30 1 208 56 55 GLU CB C 28.670 0.30 1 209 56 55 GLU N N 121.006 0.30 1 210 57 56 GLY H H 8.821 0.02 1 211 57 56 GLY C C 172.391 0.30 1 212 57 56 GLY CA C 44.651 0.30 1 213 57 56 GLY N N 109.648 0.30 1 214 59 58 GLU H H 9.121 0.02 1 215 59 58 GLU C C 179.162 0.30 1 216 59 58 GLU CA C 59.202 0.30 1 217 59 58 GLU CB C 27.779 0.30 1 218 59 58 GLU N N 117.684 0.30 1 219 60 59 TYR H H 7.868 0.02 1 220 60 59 TYR C C 179.312 0.30 1 221 60 59 TYR CA C 61.126 0.30 1 222 60 59 TYR CB C 37.980 0.30 1 223 60 59 TYR N N 122.547 0.30 1 224 61 60 TRP H H 7.239 0.02 1 225 61 60 TRP C C 178.509 0.30 1 226 61 60 TRP CA C 59.428 0.30 1 227 61 60 TRP CB C 28.205 0.30 1 228 62 61 ASP H H 8.825 0.02 1 229 62 61 ASP C C 178.523 0.30 1 230 62 61 ASP CA C 57.444 0.30 1 231 62 61 ASP CB C 40.307 0.30 1 232 62 61 ASP N N 121.441 0.30 1 233 63 62 ARG C C 179.148 0.30 1 234 63 62 ARG CA C 58.620 0.30 1 235 63 62 ARG CB C 28.981 0.30 1 236 63 62 ARG N N 120.640 0.30 1 237 64 63 ASN H H 7.764 0.02 1 238 64 63 ASN C C 179.844 0.30 1 239 64 63 ASN CA C 57.223 0.30 1 240 64 63 ASN CB C 39.221 0.30 1 241 64 63 ASN N N 116.082 0.30 1 242 66 65 GLN H H 8.440 0.02 1 243 66 65 GLN C C 179.234 0.30 1 244 66 65 GLN CB C 27.429 0.30 1 245 66 65 GLN N N 121.607 0.30 1 246 67 66 ILE H H 7.657 0.02 1 247 67 66 ILE C C 179.097 0.30 1 248 67 66 ILE CA C 64.990 0.30 1 249 67 66 ILE CB C 37.282 0.30 1 250 67 66 ILE N N 121.308 0.30 1 251 68 67 PHE H H 8.421 0.02 1 252 68 67 PHE C C 178.933 0.30 1 253 68 67 PHE CA C 59.552 0.30 1 254 68 67 PHE CB C 33.752 0.30 1 255 68 67 PHE N N 120.422 0.30 1 256 69 68 LYS H H 8.993 0.02 1 257 69 68 LYS C C 180.347 0.30 1 258 69 68 LYS CA C 60.582 0.30 1 259 69 68 LYS CB C 31.308 0.30 1 260 69 68 LYS N N 124.120 0.30 1 261 70 69 THR H H 8.005 0.02 1 262 70 69 THR C C 176.825 0.30 1 263 70 69 THR CA C 66.556 0.30 1 264 70 69 THR CB C 67.538 0.30 1 265 70 69 THR N N 118.970 0.30 1 266 71 70 ASN H H 8.552 0.02 1 267 71 70 ASN C C 176.548 0.30 1 268 71 70 ASN CA C 55.078 0.30 1 269 71 70 ASN CB C 37.747 0.30 1 270 71 70 ASN N N 120.782 0.30 1 271 72 71 THR H H 7.853 0.02 1 272 72 71 THR C C 175.809 0.30 1 273 72 71 THR CA C 67.550 0.30 1 274 72 71 THR CB C 68.344 0.30 1 275 72 71 THR N N 119.318 0.30 1 276 73 72 GLN H H 6.965 0.02 1 277 73 72 GLN C C 178.911 0.30 1 278 73 72 GLN CA C 58.388 0.30 1 279 73 72 GLN CB C 27.119 0.30 1 280 73 72 GLN N N 120.524 0.30 1 281 74 73 THR H H 8.849 0.02 1 282 74 73 THR C C 179.198 0.30 1 283 74 73 THR CA C 65.472 0.30 1 284 74 73 THR CB C 67.616 0.30 1 285 74 73 THR N N 118.282 0.30 1 286 75 74 TYR H H 9.146 0.02 1 287 75 74 TYR C C 177.733 0.30 1 288 75 74 TYR CA C 64.524 0.30 1 289 75 74 TYR CB C 36.157 0.30 1 290 75 74 TYR N N 122.672 0.30 1 291 76 75 ARG H H 7.872 0.02 1 292 76 75 ARG C C 179.133 0.30 1 293 76 75 ARG CA C 60.749 0.30 1 294 76 75 ARG CB C 28.515 0.30 1 295 76 75 ARG N N 122.963 0.30 1 296 77 76 GLU H H 7.688 0.02 1 297 77 76 GLU C C 178.796 0.30 1 298 77 76 GLU CA C 58.587 0.30 1 299 77 76 GLU CB C 28.554 0.30 1 300 77 76 GLU N N 120.195 0.30 1 301 78 77 SER H H 8.416 0.02 1 302 78 77 SER CA C 63.011 0.30 1 303 78 77 SER CB C 60.788 0.30 1 304 78 77 SER N N 116.144 0.30 1 305 83 82 ARG H H 7.115 0.02 1 306 83 82 ARG C C 179.615 0.30 1 307 83 82 ARG CA C 58.803 0.30 1 308 83 82 ARG CB C 28.283 0.30 1 309 83 82 ARG N N 116.552 0.30 1 310 84 83 GLY H H 7.197 0.02 1 311 84 83 GLY C C 177.791 0.30 1 312 84 83 GLY CA C 46.480 0.30 1 313 84 83 GLY N N 105.306 0.30 1 314 85 84 TYR H H 8.275 0.02 1 315 85 84 TYR C C 179.233 0.30 1 316 85 84 TYR CA C 56.775 0.30 1 317 85 84 TYR CB C 36.623 0.30 1 318 85 84 TYR N N 123.471 0.30 1 319 86 85 TYR H H 7.559 0.02 1 320 86 85 TYR C C 174.918 0.30 1 321 86 85 TYR CA C 58.853 0.30 1 322 86 85 TYR CB C 37.941 0.30 1 323 86 85 TYR N N 113.151 0.30 1 324 87 86 ASN H H 7.985 0.02 1 325 87 86 ASN C C 175.069 0.30 1 326 87 86 ASN CA C 54.096 0.30 1 327 87 86 ASN CB C 36.623 0.30 1 328 87 86 ASN N N 119.965 0.30 1 329 88 87 GLN H H 8.606 0.02 1 330 88 87 GLN C C 178.481 0.30 1 331 88 87 GLN CA C 54.529 0.30 1 332 88 87 GLN CB C 29.213 0.30 1 333 88 87 GLN N N 117.130 0.30 1 334 89 88 SER H H 8.223 0.02 1 335 89 88 SER C C 173.683 0.30 1 336 89 88 SER CA C 60.017 0.30 1 337 89 88 SER CB C 64.590 0.30 1 338 89 88 SER N N 115.852 0.30 1 339 91 90 ALA H H 7.931 0.02 1 340 91 90 ALA C C 178.135 0.30 1 341 91 90 ALA CA C 52.733 0.30 1 342 91 90 ALA CB C 18.779 0.30 1 343 91 90 ALA N N 120.329 0.30 1 344 92 91 GLY H H 7.267 0.02 1 345 92 91 GLY C C 172.290 0.30 1 346 92 91 GLY CA C 43.936 0.30 1 347 92 91 GLY N N 105.360 0.30 1 348 93 92 SER H H 7.941 0.02 1 349 93 92 SER C C 174.056 0.30 1 350 93 92 SER CA C 56.990 0.30 1 351 93 92 SER CB C 63.620 0.30 1 352 93 92 SER N N 116.157 0.30 1 353 94 93 HIS H H 8.175 0.02 1 354 94 93 HIS C C 173.338 0.30 1 355 94 93 HIS CA C 54.446 0.30 1 356 94 93 HIS CB C 33.054 0.30 1 357 94 93 HIS N N 122.232 0.30 1 358 95 94 ILE H H 8.368 0.02 1 359 95 94 ILE C C 177.084 0.30 1 360 95 94 ILE CA C 59.662 0.30 1 361 95 94 ILE CB C 43.237 0.30 1 362 95 94 ILE N N 117.527 0.30 1 363 96 95 ILE H H 9.544 0.02 1 364 96 95 ILE C C 177.044 0.30 1 365 96 95 ILE CA C 59.884 0.30 1 366 96 95 ILE CB C 40.657 0.30 1 367 96 95 ILE N N 128.060 0.30 1 368 97 96 GLN H H 7.844 0.02 1 369 97 96 GLN C C 180.246 0.30 1 370 97 96 GLN CA C 59.219 0.30 1 371 97 96 GLN CB C 28.942 0.30 1 372 97 96 GLN N N 118.143 0.30 1 373 98 97 ARG H H 7.606 0.02 1 374 98 97 ARG C C 180.002 0.30 1 375 98 97 ARG CA C 59.551 0.30 1 376 98 97 ARG CB C 31.541 0.30 1 377 98 97 ARG N N 121.196 0.30 1 378 100 99 TYR H H 8.048 0.02 1 379 100 99 TYR C C 177.187 0.30 1 380 100 99 TYR CA C 56.475 0.30 1 381 100 99 TYR N N 120.858 0.30 1 382 101 100 GLY H H 7.278 0.02 1 383 101 100 GLY C C 170.611 0.30 1 384 101 100 GLY CA C 45.166 0.30 1 385 101 100 GLY N N 107.822 0.30 1 386 102 101 CYS H H 8.249 0.02 1 387 102 101 CYS C C 172.003 0.30 1 388 102 101 CYS CA C 52.118 0.30 1 389 102 101 CYS CB C 47.832 0.30 1 390 102 101 CYS N N 110.728 0.30 1 391 103 102 ASP H H 8.605 0.02 1 392 103 102 ASP C C 174.947 0.30 1 393 103 102 ASP CA C 52.500 0.30 1 394 103 102 ASP CB C 41.587 0.30 1 395 103 102 ASP N N 121.612 0.30 1 396 104 103 LEU H H 9.227 0.02 1 397 104 103 LEU C C 177.518 0.30 1 398 104 103 LEU CA C 53.398 0.30 1 399 104 103 LEU CB C 43.837 0.30 1 400 104 103 LEU N N 125.623 0.30 1 401 105 104 GLY H H 8.883 0.02 1 402 105 104 GLY C C 173.741 0.30 1 403 105 104 GLY CA C 43.986 0.30 1 404 105 104 GLY N N 111.438 0.30 1 405 107 106 ASP H H 8.014 0.02 1 406 107 106 ASP C C 177.041 0.30 1 407 107 106 ASP CA C 52.297 0.30 1 408 107 106 ASP CB C 39.472 0.30 1 409 107 106 ASP N N 115.860 0.30 1 410 108 107 GLY H H 8.139 0.02 1 411 108 107 GLY C C 172.924 0.30 1 412 108 107 GLY CA C 45.418 0.30 1 413 108 107 GLY N N 108.268 0.30 1 414 109 108 ARG H H 7.411 0.02 1 415 109 108 ARG C C 176.010 0.30 1 416 109 108 ARG CA C 53.963 0.30 1 417 109 108 ARG CB C 30.882 0.30 1 418 109 108 ARG N N 118.448 0.30 1 419 110 109 LEU H H 8.667 0.02 1 420 110 109 LEU C C 176.671 0.30 1 421 110 109 LEU CA C 56.309 0.30 1 422 110 109 LEU CB C 41.432 0.30 1 423 110 109 LEU N N 121.971 0.30 1 424 111 110 LEU H H 9.316 0.02 1 425 111 110 LEU C C 176.814 0.30 1 426 111 110 LEU CA C 55.511 0.30 1 427 111 110 LEU CB C 43.100 0.30 1 428 111 110 LEU N N 130.291 0.30 1 429 112 111 ARG H H 7.142 0.02 1 430 112 111 ARG C C 174.056 0.30 1 431 112 111 ARG CA C 55.094 0.30 1 432 112 111 ARG CB C 55.094 0.30 1 433 112 111 ARG N N 114.741 0.30 1 434 113 112 GLY H H 8.775 0.02 1 435 113 112 GLY C C 170.358 0.30 1 436 113 112 GLY CA C 43.353 0.30 1 437 113 112 GLY N N 110.871 0.30 1 438 114 113 HIS H H 8.453 0.02 1 439 114 113 HIS C C 174.749 0.30 1 440 114 113 HIS CA C 55.207 0.30 1 441 114 113 HIS CB C 34.411 0.30 1 442 114 113 HIS N N 118.230 0.30 1 443 115 114 ASP H H 8.395 0.02 1 444 115 114 ASP C C 175.730 0.30 1 445 115 114 ASP CA C 53.678 0.30 1 446 115 114 ASP CB C 40.888 0.30 1 447 115 114 ASP N N 123.047 0.30 1 448 116 115 GLN H H 9.472 0.02 1 449 116 115 GLN C C 175.389 0.30 1 450 116 115 GLN CA C 55.127 0.30 1 451 116 115 GLN CB C 38.247 0.30 1 452 116 115 GLN N N 129.258 0.30 1 453 117 116 SER H H 9.574 0.02 1 454 117 116 SER C C 172.446 0.30 1 455 117 116 SER CA C 58.131 0.30 1 456 117 116 SER CB C 66.995 0.30 1 457 117 116 SER N N 115.508 0.30 1 458 118 117 ALA H H 9.244 0.02 1 459 118 117 ALA C C 175.213 0.30 1 460 118 117 ALA CA C 50.543 0.30 1 461 118 117 ALA CB C 20.020 0.30 1 462 118 117 ALA N N 129.755 0.30 1 463 119 118 TYR H H 8.591 0.02 1 464 119 118 TYR CA C 57.142 0.30 1 465 119 118 TYR CB C 40.385 0.30 1 466 119 118 TYR N N 119.760 0.30 1 467 121 120 GLY H H 8.701 0.02 1 468 121 120 GLY C C 174.810 0.30 1 469 121 120 GLY CA C 44.085 0.30 1 470 121 120 GLY N N 108.268 0.30 1 471 122 121 LYS H H 6.780 0.02 1 472 122 121 LYS C C 177.389 0.30 1 473 122 121 LYS CA C 60.816 0.30 1 474 122 121 LYS CB C 31.735 0.30 1 475 122 121 LYS N N 122.281 0.30 1 476 123 122 ASP H H 8.575 0.02 1 477 123 122 ASP C C 176.333 0.30 1 478 123 122 ASP CA C 58.770 0.30 1 479 123 122 ASP CB C 28.787 0.30 1 480 123 122 ASP N N 117.579 0.30 1 481 124 123 TYR H H 7.461 0.02 1 482 124 123 TYR C C 176.864 0.30 1 483 124 123 TYR CA C 53.548 0.30 1 484 124 123 TYR CB C 39.182 0.30 1 485 124 123 TYR N N 115.605 0.30 1 486 125 124 ILE H H 8.573 0.02 1 487 125 124 ILE C C 175.148 0.30 1 488 125 124 ILE CA C 55.361 0.30 1 489 125 124 ILE CB C 38.058 0.30 1 490 125 124 ILE N N 117.039 0.30 1 491 127 126 LEU H H 7.528 0.02 1 492 127 126 LEU C C 175.159 0.30 1 493 127 126 LEU CA C 60.072 0.30 1 494 127 126 LEU CB C 40.869 0.30 1 495 127 126 LEU N N 114.990 0.30 1 496 128 127 ASN H H 8.573 0.02 1 497 128 127 ASN C C 174.699 0.30 1 498 128 127 ASN CA C 52.873 0.30 1 499 128 127 ASN CB C 36.135 0.30 1 500 128 127 ASN N N 125.257 0.30 1 501 129 128 GLU H H 9.828 0.02 1 502 129 128 GLU C C 173.964 0.30 1 503 129 128 GLU CA C 54.912 0.30 1 504 129 128 GLU CB C 36.584 0.30 1 505 129 128 GLU N N 122.239 0.30 1 506 130 129 ASP H H 9.898 0.02 1 507 130 129 ASP C C 173.657 0.30 1 508 130 129 ASP CA C 53.581 0.30 1 509 130 129 ASP CB C 35.264 0.30 1 510 130 129 ASP N N 127.364 0.30 1 511 131 130 LEU H H 8.072 0.02 1 512 131 130 LEU C C 178.293 0.30 1 513 131 130 LEU CA C 55.843 0.30 1 514 131 130 LEU CB C 33.558 0.30 1 515 131 130 LEU N N 119.894 0.30 1 516 132 131 SER H H 7.934 0.02 1 517 132 131 SER C C 180.103 0.30 1 518 132 131 SER CA C 59.252 0.30 1 519 132 131 SER CB C 63.581 0.30 1 520 132 131 SER N N 116.930 0.30 1 521 136 135 ALA H H 9.105 0.02 1 522 136 135 ALA C C 177.517 0.30 1 523 136 135 ALA CA C 50.072 0.30 1 524 136 135 ALA CB C 19.710 0.30 1 525 136 135 ALA N N 133.638 0.30 1 526 137 136 ALA H H 8.369 0.02 1 527 137 136 ALA C C 176.947 0.30 1 528 137 136 ALA CA C 54.296 0.30 1 529 137 136 ALA CB C 20.020 0.30 1 530 137 136 ALA N N 124.924 0.30 1 531 138 137 ASP H H 7.207 0.02 1 532 138 137 ASP C C 175.888 0.30 1 533 138 137 ASP CA C 52.257 0.30 1 534 138 137 ASP CB C 40.986 0.30 1 535 138 137 ASP N N 113.826 0.30 1 536 139 138 THR H H 7.858 0.02 1 537 139 138 THR C C 176.597 0.30 1 538 139 138 THR CA C 64.901 0.30 1 539 139 138 THR CB C 68.132 0.30 1 540 139 138 THR N N 109.836 0.30 1 541 140 139 ALA H H 7.654 0.02 1 542 140 139 ALA C C 178.359 0.30 1 543 140 139 ALA CA C 54.478 0.30 1 544 140 139 ALA CB C 17.182 0.30 1 545 140 139 ALA N N 128.169 0.30 1 546 141 140 ALA H H 8.273 0.02 1 547 141 140 ALA C C 179.851 0.30 1 548 141 140 ALA CA C 53.515 0.30 1 549 141 140 ALA CB C 18.740 0.30 1 550 141 140 ALA N N 118.821 0.30 1 551 142 141 GLN H H 7.356 0.02 1 552 142 141 GLN C C 178.279 0.30 1 553 142 141 GLN CA C 57.955 0.30 1 554 142 141 GLN CB C 27.507 0.30 1 555 142 141 GLN N N 116.295 0.30 1 556 144 143 THR H H 9.556 0.02 1 557 144 143 THR C C 172.721 0.30 1 558 144 143 THR CA C 62.944 0.30 1 559 144 143 THR CB C 70.175 0.30 1 560 144 143 THR N N 120.689 0.30 1 561 145 144 GLN H H 9.088 0.02 1 562 145 144 GLN C C 175.716 0.30 1 563 145 144 GLN CA C 55.094 0.30 1 564 145 144 GLN CB C 28.438 0.30 1 565 145 144 GLN N N 132.539 0.30 1 566 146 145 ARG H H 8.307 0.02 1 567 146 145 ARG C C 175.270 0.30 1 568 146 145 ARG CA C 55.743 0.30 1 569 146 145 ARG CB C 30.377 0.30 1 570 146 145 ARG N N 124.391 0.30 1 571 147 146 LYS H H 8.371 0.02 1 572 147 146 LYS C C 176.426 0.30 1 573 147 146 LYS CA C 51.569 0.30 1 574 147 146 LYS CB C 28.670 0.30 1 575 147 146 LYS N N 125.163 0.30 1 576 153 152 VAL H H 8.107 0.02 1 577 153 152 VAL C C 175.227 0.30 1 578 153 152 VAL CA C 57.855 0.30 1 579 153 152 VAL CB C 35.498 0.30 1 580 153 152 VAL N N 123.078 0.30 1 581 154 153 ALA H H 8.305 0.02 1 582 154 153 ALA C C 176.871 0.30 1 583 154 153 ALA CA C 58.221 0.30 1 584 154 153 ALA CB C 22.774 0.30 1 585 154 153 ALA N N 126.739 0.30 1 586 156 155 GLN H H 6.408 0.02 1 587 156 155 GLN C C 177.424 0.30 1 588 156 155 GLN CA C 55.044 0.30 1 589 156 155 GLN CB C 27.662 0.30 1 590 156 155 GLN N N 111.248 0.30 1 591 157 156 LEU H H 6.701 0.02 1 592 157 156 LEU CA C 57.190 0.30 1 593 157 156 LEU CB C 39.920 0.30 1 594 157 156 LEU N N 120.684 0.30 1 595 162 161 GLU H H 7.233 0.02 1 596 162 161 GLU C C 172.972 0.30 1 597 162 161 GLU CA C 52.766 0.30 1 598 162 161 GLU CB C 52.766 0.30 1 599 162 161 GLU N N 114.868 0.30 1 600 163 162 GLY H H 8.059 0.02 1 601 163 162 GLY C C 179.098 0.30 1 602 163 162 GLY CA C 43.154 0.30 1 603 163 162 GLY N N 117.609 0.30 1 604 165 164 CYS H H 7.146 0.02 1 605 165 164 CYS C C 179.505 0.30 1 606 165 164 CYS CA C 58.553 0.30 1 607 165 164 CYS CB C 28.244 0.30 1 608 165 164 CYS N N 121.725 0.30 1 609 166 165 VAL H H 6.992 0.02 1 610 166 165 VAL C C 178.868 0.30 1 611 166 165 VAL CA C 59.113 0.30 1 612 166 165 VAL CB C 31.646 0.30 1 613 166 165 VAL N N 121.122 0.30 1 614 167 166 GLU H H 8.171 0.02 1 615 167 166 GLU C C 172.505 0.30 1 616 167 166 GLU CA C 56.009 0.30 1 617 167 166 GLU CB C 31.851 0.30 1 618 167 166 GLU N N 116.507 0.30 1 619 170 169 ARG H H 8.397 0.02 1 620 170 169 ARG C C 175.285 0.30 1 621 170 169 ARG CA C 53.947 0.30 1 622 170 169 ARG CB C 33.636 0.30 1 623 170 169 ARG N N 118.113 0.30 1 624 171 170 ARG H H 9.598 0.02 1 625 171 170 ARG C C 174.725 0.30 1 626 171 170 ARG CA C 57.789 0.30 1 627 171 170 ARG CB C 28.593 0.30 1 628 171 170 ARG N N 122.978 0.30 1 629 172 171 TYR H H 7.731 0.02 1 630 172 171 TYR C C 171.859 0.30 1 631 172 171 TYR CA C 52.267 0.30 1 632 172 171 TYR CB C 30.843 0.30 1 633 172 171 TYR N N 129.428 0.30 1 634 176 175 GLY H H 7.197 0.02 1 635 176 175 GLY C C 171.736 0.30 1 636 176 175 GLY CA C 43.486 0.30 1 637 176 175 GLY N N 117.969 0.30 1 638 177 176 LYS H H 7.302 0.02 1 639 177 176 LYS C C 174.762 0.30 1 640 177 176 LYS CA C 53.410 0.30 1 641 177 176 LYS CB C 34.066 0.30 1 642 177 176 LYS N N 118.578 0.30 1 643 178 177 GLU H H 8.493 0.02 1 644 178 177 GLU C C 174.114 0.30 1 645 178 177 GLU CA C 57.123 0.30 1 646 178 177 GLU CB C 40.773 0.30 1 647 178 177 GLU N N 122.060 0.30 1 648 179 178 THR H H 8.483 0.02 1 649 179 178 THR CA C 67.301 0.30 1 650 179 178 THR CB C 68.469 0.30 1 651 179 178 THR N N 115.780 0.30 1 652 181 180 GLN H H 7.425 0.02 1 653 181 180 GLN C C 173.769 0.30 1 654 181 180 GLN CA C 55.145 0.30 1 655 181 180 GLN CB C 27.817 0.30 1 656 181 180 GLN N N 113.240 0.30 1 657 182 181 ARG H H 6.991 0.02 1 658 182 181 ARG C C 174.322 0.30 1 659 182 181 ARG CA C 54.546 0.30 1 660 182 181 ARG CB C 31.541 0.30 1 661 182 181 ARG N N 120.832 0.30 1 662 183 182 ALA H H 8.586 0.02 1 663 183 182 ALA C C 176.714 0.30 1 664 183 182 ALA CA C 50.887 0.30 1 665 183 182 ALA CB C 18.973 0.30 1 666 183 182 ALA N N 128.656 0.30 1 667 184 183 ASP H H 9.531 0.02 1 668 184 183 ASP C C 173.410 0.30 1 669 184 183 ASP CB C 42.092 0.30 1 670 184 183 ASP N N 126.335 0.30 1 671 187 186 LYS H H 9.585 0.02 1 672 187 186 LYS C C 178.114 0.30 1 673 187 186 LYS CA C 56.059 0.30 1 674 187 186 LYS CB C 31.153 0.30 1 675 187 186 LYS N N 125.707 0.30 1 676 188 187 THR H H 8.414 0.02 1 677 188 187 THR C C 174.334 0.30 1 678 188 187 THR CA C 58.880 0.30 1 679 188 187 THR CB C 71.219 0.30 1 680 188 187 THR N N 116.993 0.30 1 681 189 188 HIS H H 8.067 0.02 1 682 189 188 HIS C C 172.500 0.30 1 683 189 188 HIS CA C 56.100 0.30 1 684 189 188 HIS CB C 31.671 0.30 1 685 189 188 HIS N N 116.133 0.30 1 686 190 189 VAL H H 8.680 0.02 1 687 190 189 VAL C C 176.483 0.30 1 688 190 189 VAL CA C 60.400 0.30 1 689 190 189 VAL CB C 34.683 0.30 1 690 190 189 VAL N N 121.136 0.30 1 691 191 190 THR H H 9.772 0.02 1 692 191 190 THR C C 171.744 0.30 1 693 191 190 THR CA C 60.167 0.30 1 694 191 190 THR CB C 69.787 0.30 1 695 191 190 THR N N 119.579 0.30 1 696 192 191 HIS H H 7.854 0.02 1 697 192 191 HIS C C 174.318 0.30 1 698 192 191 HIS CA C 54.962 0.30 1 699 192 191 HIS CB C 33.364 0.30 1 700 192 191 HIS N N 122.376 0.30 1 701 193 192 HIS H H 8.260 0.02 1 702 193 192 HIS C C 172.678 0.30 1 703 193 192 HIS CA C 51.536 0.30 1 704 193 192 HIS CB C 29.757 0.30 1 705 193 192 HIS N N 123.365 0.30 1 706 195 194 VAL H H 8.491 0.02 1 707 195 194 VAL C C 175.170 0.30 1 708 195 194 VAL CA C 62.511 0.30 1 709 195 194 VAL CB C 32.976 0.30 1 710 195 194 VAL N N 123.832 0.30 1 711 196 195 SER H H 8.233 0.02 1 712 196 195 SER C C 173.899 0.30 1 713 196 195 SER CA C 56.358 0.30 1 714 196 195 SER CB C 64.512 0.30 1 715 196 195 SER N N 116.066 0.30 1 716 198 197 HIS H H 8.100 0.02 1 717 198 197 HIS C C 175.516 0.30 1 718 198 197 HIS CA C 55.734 0.30 1 719 198 197 HIS CB C 31.309 0.30 1 720 198 197 HIS N N 113.812 0.30 1 721 199 198 GLU H H 7.292 0.02 1 722 199 198 GLU C C 174.570 0.30 1 723 199 198 GLU CA C 54.986 0.30 1 724 199 198 GLU CB C 34.450 0.30 1 725 199 198 GLU N N 121.079 0.30 1 726 200 199 ALA H H 9.010 0.02 1 727 200 199 ALA C C 174.171 0.30 1 728 200 199 ALA CA C 50.505 0.30 1 729 200 199 ALA CB C 21.766 0.30 1 730 200 199 ALA N N 123.768 0.30 1 731 201 200 THR H H 8.545 0.02 1 732 201 200 THR C C 174.329 0.30 1 733 201 200 THR CA C 61.581 0.30 1 734 201 200 THR CB C 69.206 0.30 1 735 201 200 THR N N 119.259 0.30 1 736 202 201 LEU H H 8.638 0.02 1 737 202 201 LEU C C 175.076 0.30 1 738 202 201 LEU CA C 52.207 0.30 1 739 202 201 LEU CB C 42.888 0.30 1 740 202 201 LEU N N 126.646 0.30 1 741 203 202 ARG H H 9.041 0.02 1 742 203 202 ARG C C 172.779 0.30 1 743 203 202 ARG CA C 54.779 0.30 1 744 203 202 ARG CB C 31.386 0.30 1 745 203 202 ARG N N 124.307 0.30 1 746 204 203 CYS H H 9.772 0.02 1 747 204 203 CYS C C 172.290 0.30 1 748 204 203 CYS CA C 53.165 0.30 1 749 204 203 CYS CB C 40.773 0.30 1 750 204 203 CYS N N 128.608 0.30 1 751 205 204 TRP H H 9.282 0.02 1 752 205 204 TRP C C 174.509 0.30 1 753 205 204 TRP CA C 57.041 0.30 1 754 205 204 TRP CB C 31.231 0.30 1 755 205 204 TRP N N 126.845 0.30 1 756 206 205 ALA H H 8.882 0.02 1 757 206 205 ALA C C 175.213 0.30 1 758 206 205 ALA CA C 50.488 0.30 1 759 206 205 ALA CB C 21.765 0.30 1 760 206 205 ALA N N 120.762 0.30 1 761 207 206 LEU H H 9.176 0.02 1 762 207 206 LEU C C 177.690 0.30 1 763 207 206 LEU CA C 53.631 0.30 1 764 207 206 LEU CB C 45.311 0.30 1 765 207 206 LEU N N 122.085 0.30 1 766 208 207 GLY H H 8.519 0.02 1 767 208 207 GLY C C 174.078 0.30 1 768 208 207 GLY CA C 46.530 0.30 1 769 208 207 GLY N N 111.351 0.30 1 770 209 208 PHE H H 7.421 0.02 1 771 209 208 PHE C C 174.796 0.30 1 772 209 208 PHE CA C 53.598 0.30 1 773 209 208 PHE CB C 40.617 0.30 1 774 209 208 PHE N N 112.571 0.30 1 775 210 209 TYR H H 8.951 0.02 1 776 210 209 TYR C C 171.342 0.30 1 777 210 209 TYR CA C 57.988 0.30 1 778 210 209 TYR CB C 42.092 0.30 1 779 210 209 TYR N N 120.339 0.30 1 780 212 211 ALA H H 8.064 0.02 1 781 212 211 ALA C C 178.035 0.30 1 782 212 211 ALA CA C 54.413 0.30 1 783 212 211 ALA CB C 16.645 0.30 1 784 212 211 ALA N N 119.479 0.30 1 785 213 212 GLU H H 7.346 0.02 1 786 213 212 GLU C C 173.707 0.30 1 787 213 212 GLU CA C 57.268 0.30 1 788 213 212 GLU CB C 28.333 0.30 1 789 213 212 GLU N N 119.109 0.30 1 790 214 213 ILE H H 7.379 0.02 1 791 214 213 ILE C C 172.758 0.30 1 792 214 213 ILE CA C 60.410 0.30 1 793 214 213 ILE CB C 39.317 0.30 1 794 214 213 ILE N N 124.711 0.30 1 795 215 214 THR H H 8.094 0.02 1 796 215 214 THR C C 172.290 0.30 1 797 215 214 THR CA C 61.829 0.30 1 798 215 214 THR CB C 70.447 0.30 1 799 215 214 THR N N 120.232 0.30 1 800 216 215 LEU H H 8.654 0.02 1 801 216 215 LEU C C 175.421 0.30 1 802 216 215 LEU CA C 53.514 0.30 1 803 216 215 LEU CB C 44.924 0.30 1 804 216 215 LEU N N 128.433 0.30 1 805 217 216 THR H H 8.493 0.02 1 806 217 216 THR C C 173.098 0.30 1 807 217 216 THR CA C 59.918 0.30 1 808 217 216 THR CB C 71.766 0.30 1 809 217 216 THR N N 115.493 0.30 1 810 218 217 TRP H H 9.097 0.02 1 811 218 217 TRP C C 175.941 0.30 1 812 218 217 TRP CA C 56.391 0.30 1 813 218 217 TRP CB C 31.774 0.30 1 814 218 217 TRP N N 122.451 0.30 1 815 219 218 GLN H H 9.887 0.02 1 816 219 218 GLN C C 174.988 0.30 1 817 219 218 GLN CA C 53.639 0.30 1 818 219 218 GLN CB C 31.696 0.30 1 819 219 218 GLN N N 119.439 0.30 1 820 220 219 ARG H H 8.481 0.02 1 821 220 219 ARG C C 176.509 0.30 1 822 220 219 ARG CA C 54.047 0.30 1 823 220 219 ARG CB C 31.696 0.30 1 824 220 219 ARG N N 121.074 0.30 1 825 221 220 ASP H H 9.312 0.02 1 826 221 220 ASP C C 175.995 0.30 1 827 221 220 ASP CA C 55.211 0.30 1 828 221 220 ASP CB C 39.376 0.30 1 829 221 220 ASP N N 129.823 0.30 1 830 222 221 GLY H H 8.481 0.02 1 831 222 221 GLY C C 173.547 0.30 1 832 222 221 GLY CA C 45.017 0.30 1 833 222 221 GLY N N 103.431 0.30 1 834 223 222 GLU H H 7.815 0.02 1 835 223 222 GLU C C 177.144 0.30 1 836 223 222 GLU CA C 54.054 0.30 1 837 223 222 GLU CB C 29.136 0.30 1 838 223 222 GLU N N 119.787 0.30 1 839 224 223 ASP H H 9.050 0.02 1 840 224 223 ASP C C 176.936 0.30 1 841 224 223 ASP CA C 56.019 0.30 1 842 224 223 ASP CB C 40.870 0.30 1 843 224 223 ASP N N 128.443 0.30 1 844 225 224 GLN H H 8.875 0.02 1 845 225 224 GLN C C 177.788 0.30 1 846 225 224 GLN CA C 53.223 0.30 1 847 225 224 GLN CB C 29.796 0.30 1 848 225 224 GLN N N 123.613 0.30 1 849 226 225 THR H H 8.356 0.02 1 850 226 225 THR C C 176.232 0.30 1 851 226 225 THR CA C 54.063 0.30 1 852 226 225 THR CB C 68.391 0.30 1 853 226 225 THR N N 119.409 0.30 1 854 227 226 GLN H H 8.744 0.02 1 855 227 226 GLN C C 176.233 0.30 1 856 227 226 GLN CA C 57.472 0.30 1 857 227 226 GLN CB C 27.934 0.30 1 858 227 226 GLN N N 120.840 0.30 1 859 228 227 ASP H H 7.841 0.02 1 860 228 227 ASP C C 175.378 0.30 1 861 228 227 ASP CA C 54.080 0.30 1 862 228 227 ASP CB C 41.587 0.30 1 863 228 227 ASP N N 117.687 0.30 1 864 229 228 THR H H 7.506 0.02 1 865 229 228 THR C C 173.712 0.30 1 866 229 228 THR CA C 62.296 0.30 1 867 229 228 THR CB C 69.865 0.30 1 868 229 228 THR N N 116.097 0.30 1 869 230 229 GLU H H 9.458 0.02 1 870 230 229 GLU C C 174.325 0.30 1 871 230 229 GLU CA C 54.909 0.30 1 872 230 229 GLU CB C 30.700 0.30 1 873 230 229 GLU N N 129.619 0.30 1 874 231 230 LEU H H 8.756 0.02 1 875 231 230 LEU C C 176.986 0.30 1 876 231 230 LEU CA C 53.305 0.30 1 877 231 230 LEU CB C 44.267 0.30 1 878 231 230 LEU N N 128.303 0.30 1 879 232 231 VAL H H 6.570 0.02 1 880 232 231 VAL C C 175.672 0.30 1 881 232 231 VAL CA C 58.903 0.30 1 882 232 231 VAL CB C 31.773 0.30 1 883 232 231 VAL N N 116.437 0.30 1 884 233 232 GLU H H 8.241 0.02 1 885 233 232 GLU C C 175.874 0.30 1 886 233 232 GLU CA C 56.059 0.30 1 887 233 232 GLU CB C 29.020 0.30 1 888 233 232 GLU N N 123.861 0.30 1 889 234 233 THR H H 8.644 0.02 1 890 234 233 THR C C 173.928 0.30 1 891 234 233 THR CA C 64.154 0.30 1 892 234 233 THR CB C 68.154 0.30 1 893 234 233 THR N N 122.414 0.30 1 894 235 234 ARG H H 8.877 0.02 1 895 235 234 ARG C C 172.451 0.30 1 896 235 234 ARG CA C 50.382 0.30 1 897 235 234 ARG CB C 30.015 0.30 1 898 235 234 ARG N N 125.010 0.30 1 899 237 236 ALA H H 8.877 0.02 1 900 237 236 ALA C C 178.126 0.30 1 901 237 236 ALA CA C 53.055 0.30 1 902 237 236 ALA CB C 53.055 0.30 1 903 237 236 ALA N N 125.352 0.30 1 904 238 237 GLY H H 8.532 0.02 1 905 238 237 GLY C C 172.311 0.30 1 906 238 237 GLY CA C 43.770 0.30 1 907 238 237 GLY N N 106.262 0.30 1 908 239 238 ASP H H 7.350 0.02 1 909 239 238 ASP C C 174.229 0.30 1 910 239 238 ASP CA C 51.569 0.30 1 911 239 238 ASP CB C 39.764 0.30 1 912 239 238 ASP N N 119.818 0.30 1 913 243 242 GLN H H 8.560 0.02 1 914 243 242 GLN C C 175.643 0.30 1 915 243 242 GLN CA C 52.684 0.30 1 916 243 242 GLN CB C 43.255 0.30 1 917 243 242 GLN N N 111.683 0.30 1 918 244 243 LYS H H 9.532 0.02 1 919 244 243 LYS C C 172.082 0.30 1 920 244 243 LYS CA C 57.090 0.30 1 921 244 243 LYS CB C 38.019 0.30 1 922 244 243 LYS N N 120.530 0.30 1 923 245 244 TRP H H 6.152 0.02 1 924 245 244 TRP C C 174.128 0.30 1 925 245 244 TRP CA C 54.678 0.30 1 926 245 244 TRP CB C 33.248 0.30 1 927 245 244 TRP N N 116.314 0.30 1 928 246 245 ALA H H 8.630 0.02 1 929 246 245 ALA C C 177.611 0.30 1 930 246 245 ALA CA C 50.122 0.30 1 931 246 245 ALA CB C 23.084 0.30 1 932 246 245 ALA N N 119.258 0.30 1 933 247 246 ALA H H 10.653 0.02 1 934 247 246 ALA C C 174.732 0.30 1 935 247 246 ALA CA C 50.688 0.30 1 936 247 246 ALA CB C 23.977 0.30 1 937 247 246 ALA N N 131.507 0.30 1 938 248 247 VAL H H 8.201 0.02 1 939 248 247 VAL C C 172.456 0.30 1 940 248 247 VAL CA C 58.919 0.30 1 941 248 247 VAL CB C 34.838 0.30 1 942 248 247 VAL N N 117.515 0.30 1 943 249 248 VAL H H 8.162 0.02 1 944 249 248 VAL C C 176.053 0.30 1 945 249 248 VAL CA C 61.547 0.30 1 946 249 248 VAL CB C 30.959 0.30 1 947 249 248 VAL N N 125.633 0.30 1 948 250 249 VAL H H 9.136 0.02 1 949 250 249 VAL C C 172.304 0.30 1 950 250 249 VAL CA C 56.492 0.30 1 951 250 249 VAL CB C 31.851 0.30 1 952 250 249 VAL N N 124.127 0.30 1 953 252 251 SER H H 8.036 0.02 1 954 252 251 SER C C 176.153 0.30 1 955 252 251 SER CA C 59.402 0.30 1 956 252 251 SER CB C 62.185 0.30 1 957 252 251 SER N N 120.418 0.30 1 958 253 252 GLY H H 9.417 0.02 1 959 253 252 GLY C C 175.558 0.30 1 960 253 252 GLY CA C 45.000 0.30 1 961 253 252 GLY N N 117.576 0.30 1 962 254 253 GLU H H 8.108 0.02 1 963 254 253 GLU C C 177.382 0.30 1 964 254 253 GLU CA C 55.544 0.30 1 965 254 253 GLU CB C 29.020 0.30 1 966 254 253 GLU N N 119.713 0.30 1 967 255 254 GLU H H 10.341 0.02 1 968 255 254 GLU C C 178.990 0.30 1 969 255 254 GLU CA C 62.096 0.30 1 970 255 254 GLU CB C 21.106 0.30 1 971 255 254 GLU N N 121.092 0.30 1 972 256 255 GLN H H 8.997 0.02 1 973 256 255 GLN C C 177.108 0.30 1 974 256 255 GLN CA C 57.273 0.30 1 975 256 255 GLN CB C 26.731 0.30 1 976 256 255 GLN N N 114.350 0.30 1 977 257 256 ARG H H 8.217 0.02 1 978 257 256 ARG C C 176.204 0.30 1 979 257 256 ARG CA C 56.691 0.30 1 980 257 256 ARG CB C 30.028 0.30 1 981 257 256 ARG N N 118.618 0.30 1 982 258 257 TYR H H 7.973 0.02 1 983 258 257 TYR C C 176.254 0.30 1 984 258 257 TYR CA C 57.223 0.30 1 985 258 257 TYR CB C 39.493 0.30 1 986 258 257 TYR N N 120.498 0.30 1 987 259 258 THR H H 9.297 0.02 1 988 259 258 THR C C 172.116 0.30 1 989 259 258 THR CA C 58.779 0.30 1 990 259 258 THR CB C 70.444 0.30 1 991 259 258 THR N N 113.544 0.30 1 992 260 259 CYS H H 9.076 0.02 1 993 260 259 CYS C C 172.161 0.30 1 994 260 259 CYS CA C 51.425 0.30 1 995 260 259 CYS CB C 40.209 0.30 1 996 260 259 CYS N N 125.052 0.30 1 997 261 260 HIS H H 9.179 0.02 1 998 261 260 HIS C C 174.839 0.30 1 999 261 260 HIS CA C 54.204 0.30 1 1000 261 260 HIS CB C 30.623 0.30 1 1001 261 260 HIS N N 128.773 0.30 1 1002 262 261 VAL H H 8.441 0.02 1 1003 262 261 VAL C C 174.147 0.30 1 1004 262 261 VAL CA C 60.338 0.30 1 1005 262 261 VAL CB C 33.782 0.30 1 1006 262 261 VAL N N 125.138 0.30 1 1007 263 262 GLN H H 8.430 0.02 1 1008 263 262 GLN C C 173.776 0.30 1 1009 263 262 GLN CA C 53.672 0.30 1 1010 263 262 GLN CB C 31.088 0.30 1 1011 263 262 GLN N N 124.602 0.30 1 1012 264 263 HIS H H 8.062 0.02 1 1013 264 263 HIS C C 175.067 0.30 1 1014 264 263 HIS CA C 57.772 0.30 1 1015 264 263 HIS CB C 35.653 0.30 1 1016 264 263 HIS N N 122.882 0.30 1 1017 265 264 GLU H H 8.237 0.02 1 1018 265 264 GLU C C 177.012 0.30 1 1019 265 264 GLU CA C 58.371 0.30 1 1020 265 264 GLU CB C 29.330 0.30 1 1021 265 264 GLU N N 127.071 0.30 1 1022 266 265 GLY H H 10.703 0.02 1 1023 266 265 GLY C C 173.224 0.30 1 1024 266 265 GLY CA C 44.650 0.30 1 1025 266 265 GLY N N 111.101 0.30 1 1026 267 266 LEU H H 7.994 0.02 1 1027 267 266 LEU C C 175.493 0.30 1 1028 267 266 LEU CA C 51.037 0.30 1 1029 267 266 LEU CB C 41.471 0.30 1 1030 267 266 LEU N N 122.283 0.30 1 1031 271 270 LEU H H 8.319 0.02 1 1032 271 270 LEU C C 176.734 0.30 1 1033 271 270 LEU CA C 53.479 0.30 1 1034 271 270 LEU CB C 44.616 0.30 1 1035 271 270 LEU N N 123.592 0.30 1 1036 272 271 THR H H 8.312 0.02 1 1037 272 271 THR C C 173.628 0.30 1 1038 272 271 THR CA C 61.043 0.30 1 1039 272 271 THR CB C 69.862 0.30 1 1040 272 271 THR N N 117.960 0.30 1 1041 273 272 LEU H H 9.422 0.02 1 1042 273 272 LEU C C 170.480 0.30 1 1043 273 272 LEU CA C 54.296 0.30 1 1044 273 272 LEU CB C 44.305 0.30 1 1045 273 272 LEU N N 127.244 0.30 1 stop_ save_