data_27631 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone amide and AILV methyl chemical shift assignments for HLA-A*02:01, a human class I major histocompatibility molecule heavy chain. ; _BMRB_accession_number 27631 _BMRB_flat_file_name bmr27631.str _Entry_type original _Submission_date 2018-09-26 _Accession_date 2018-09-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Backbone amide and AILV methyl chemical shift assignments for HLA-A*02:01, a human class I major histocompatibility molecule heavy chain, bound to TAX peptide and human beta2m light chain. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McShan Andrew . . 2 Sgourakis Nik . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 320 "13C chemical shifts" 796 "15N chemical shifts" 235 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-28 update BMRB 'update entry citation' 2019-08-22 update author 'update entry title and assignment' 2018-11-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27632 'NRASQ61K/HLA-A*01:01/human beta2m' 27682 NIH:H-2Ld:hb2m stop_ _Original_release_date 2018-09-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31796585 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McShan Andrew C. . 2 Devlin Christine A. . 3 Overall Sarah A. . 4 Park Jihye . . 5 Toor Jugmohit S. . 6 Moschidi Danai . . 7 Flores-Solis David . . 8 Choi Hannah . . 9 Tripathi Sarvind . . 10 Procko Erik . . 11 Sgourakis Nikolaos G. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 116 _Journal_issue 51 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25602 _Page_last 25613 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TAX/HLA-A*02:01/human beta2m' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Heavy chain' $HLA-A-02-01 Peptide $TAX_peptide 'Light chain' $human_beta2m 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-A-02-01 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HLA-A*02:01 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 276 _Mol_residue_sequence ; GSHSMRYFFTSVSRPGRGEP RFIAVGYVDDTQFVRFDSDA ASQRMEPRAPWIEQEGPEYW DGETRKVKAHSQTHRVDLGT LRGYYNQSEAGSHTVQRMYG CDVGSDWRFLRGYHQYAYDG KDYIALKEDLRSWTAADMAA QTTKHKWEAAHVAEQLRAYL EGTCVEWLRRYLENGKETLQ RTDAPKTHMTHHAVSDHEAT LRCWALSFYPAEITLTWQRD GEDQTQDTELVETRPAGDGT FQKWAAVVVPSGQEQRYTCH VQHEGLPKPLTLRWEP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 SER 5 MET 6 ARG 7 TYR 8 PHE 9 PHE 10 THR 11 SER 12 VAL 13 SER 14 ARG 15 PRO 16 GLY 17 ARG 18 GLY 19 GLU 20 PRO 21 ARG 22 PHE 23 ILE 24 ALA 25 VAL 26 GLY 27 TYR 28 VAL 29 ASP 30 ASP 31 THR 32 GLN 33 PHE 34 VAL 35 ARG 36 PHE 37 ASP 38 SER 39 ASP 40 ALA 41 ALA 42 SER 43 GLN 44 ARG 45 MET 46 GLU 47 PRO 48 ARG 49 ALA 50 PRO 51 TRP 52 ILE 53 GLU 54 GLN 55 GLU 56 GLY 57 PRO 58 GLU 59 TYR 60 TRP 61 ASP 62 GLY 63 GLU 64 THR 65 ARG 66 LYS 67 VAL 68 LYS 69 ALA 70 HIS 71 SER 72 GLN 73 THR 74 HIS 75 ARG 76 VAL 77 ASP 78 LEU 79 GLY 80 THR 81 LEU 82 ARG 83 GLY 84 TYR 85 TYR 86 ASN 87 GLN 88 SER 89 GLU 90 ALA 91 GLY 92 SER 93 HIS 94 THR 95 VAL 96 GLN 97 ARG 98 MET 99 TYR 100 GLY 101 CYS 102 ASP 103 VAL 104 GLY 105 SER 106 ASP 107 TRP 108 ARG 109 PHE 110 LEU 111 ARG 112 GLY 113 TYR 114 HIS 115 GLN 116 TYR 117 ALA 118 TYR 119 ASP 120 GLY 121 LYS 122 ASP 123 TYR 124 ILE 125 ALA 126 LEU 127 LYS 128 GLU 129 ASP 130 LEU 131 ARG 132 SER 133 TRP 134 THR 135 ALA 136 ALA 137 ASP 138 MET 139 ALA 140 ALA 141 GLN 142 THR 143 THR 144 LYS 145 HIS 146 LYS 147 TRP 148 GLU 149 ALA 150 ALA 151 HIS 152 VAL 153 ALA 154 GLU 155 GLN 156 LEU 157 ARG 158 ALA 159 TYR 160 LEU 161 GLU 162 GLY 163 THR 164 CYS 165 VAL 166 GLU 167 TRP 168 LEU 169 ARG 170 ARG 171 TYR 172 LEU 173 GLU 174 ASN 175 GLY 176 LYS 177 GLU 178 THR 179 LEU 180 GLN 181 ARG 182 THR 183 ASP 184 ALA 185 PRO 186 LYS 187 THR 188 HIS 189 MET 190 THR 191 HIS 192 HIS 193 ALA 194 VAL 195 SER 196 ASP 197 HIS 198 GLU 199 ALA 200 THR 201 LEU 202 ARG 203 CYS 204 TRP 205 ALA 206 LEU 207 SER 208 PHE 209 TYR 210 PRO 211 ALA 212 GLU 213 ILE 214 THR 215 LEU 216 THR 217 TRP 218 GLN 219 ARG 220 ASP 221 GLY 222 GLU 223 ASP 224 GLN 225 THR 226 GLN 227 ASP 228 THR 229 GLU 230 LEU 231 VAL 232 GLU 233 THR 234 ARG 235 PRO 236 ALA 237 GLY 238 ASP 239 GLY 240 THR 241 PHE 242 GLN 243 LYS 244 TRP 245 ALA 246 ALA 247 VAL 248 VAL 249 VAL 250 PRO 251 SER 252 GLY 253 GLN 254 GLU 255 GLN 256 ARG 257 TYR 258 THR 259 CYS 260 HIS 261 VAL 262 GLN 263 HIS 264 GLU 265 GLY 266 LEU 267 PRO 268 LYS 269 PRO 270 LEU 271 THR 272 LEU 273 ARG 274 TRP 275 GLU 276 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_TAX_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TAX_peptide _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence ; LLFGYPVYV ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 LEU 3 PHE 4 GLY 5 TYR 6 PRO 7 VAL 8 TYR 9 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_human_beta2m _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_beta2m _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 100 _Mol_residue_sequence ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 GLN 4 ARG 5 THR 6 PRO 7 LYS 8 ILE 9 GLN 10 VAL 11 TYR 12 SER 13 ARG 14 HIS 15 PRO 16 ALA 17 GLU 18 ASN 19 GLY 20 LYS 21 SER 22 ASN 23 PHE 24 LEU 25 ASN 26 CYS 27 TYR 28 VAL 29 SER 30 GLY 31 PHE 32 HIS 33 PRO 34 SER 35 ASP 36 ILE 37 GLU 38 VAL 39 ASP 40 LEU 41 LEU 42 LYS 43 ASN 44 GLY 45 GLU 46 ARG 47 ILE 48 GLU 49 LYS 50 VAL 51 GLU 52 HIS 53 SER 54 ASP 55 LEU 56 SER 57 PHE 58 SER 59 LYS 60 ASP 61 TRP 62 SER 63 PHE 64 TYR 65 LEU 66 LEU 67 TYR 68 TYR 69 THR 70 GLU 71 PHE 72 THR 73 PRO 74 THR 75 GLU 76 LYS 77 ASP 78 GLU 79 TYR 80 ALA 81 CYS 82 ARG 83 VAL 84 ASN 85 HIS 86 VAL 87 THR 88 LEU 89 SER 90 GLN 91 PRO 92 LYS 93 ILE 94 VAL 95 LYS 96 TRP 97 ASP 98 ARG 99 ASP 100 MET 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-A-02-01 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-A-02-01 'recombinant technology' . Escherichia coli . pET 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 _Isotopic_labeling $HLA-A-02-01 500 uM '[U-100% 13C; U-100% 15N]' $human_beta2m 500 uM 'natural abundance' $TAX_peptide 500 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HLA-A-02-01 500 uM '13C AILV methyl, [U]-15N' $TAX_peptide 500 uM 'natural abundance' $human_beta2m 500 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 50 . mM pH 7.2 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HNCO' '3D 1H-13C NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Heavy chain' _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 1 1 GLY C C 169.573 . . 2 1 1 GLY CA C 42.992 . . 3 2 2 SER H H 8.037 . . 4 2 2 SER C C 173.119 . . 5 2 2 SER CA C 57.356 . . 6 2 2 SER CB C 63.886 . . 7 2 2 SER N N 115.066 . . 8 3 3 HIS H H 8.427 . . 9 3 3 HIS C C 173.673 . . 10 3 3 HIS CA C 54.329 . . 11 3 3 HIS CB C 33.936 . . 12 3 3 HIS N N 115.413 . . 13 4 4 SER H H 9.314 . . 14 4 4 SER C C 172.899 . . 15 4 4 SER CA C 56.828 . . 16 4 4 SER CB C 67.043 . . 17 4 4 SER N N 115.260 . . 18 5 5 MET H H 9.148 . . 19 5 5 MET C C 175.422 . . 20 5 5 MET CA C 54.589 . . 21 5 5 MET CB C 37.535 . . 22 5 5 MET N N 123.661 . . 23 6 6 ARG H H 9.006 . . 24 6 6 ARG C C 173.581 . . 25 6 6 ARG CA C 53.971 . . 26 6 6 ARG CB C 35.643 . . 27 6 6 ARG N N 125.355 . . 28 7 7 TYR H H 8.701 . . 29 7 7 TYR C C 173.391 . . 30 7 7 TYR CA C 56.957 . . 31 7 7 TYR CB C 42.391 . . 32 7 7 TYR N N 119.498 . . 33 8 8 PHE H H 8.424 . . 34 8 8 PHE CA C 55.716 . . 35 8 8 PHE CB C 39.403 . . 36 8 8 PHE N N 118.018 . . 37 9 9 PHE C C 175.411 . . 38 9 9 PHE CA C 55.731 . . 39 9 9 PHE CB C 41.680 . . 40 10 10 THR H H 9.088 . . 41 10 10 THR C C 173.835 . . 42 10 10 THR CA C 62.888 . . 43 10 10 THR CB C 70.666 . . 44 10 10 THR N N 120.516 . . 45 11 11 SER H H 9.324 . . 46 11 11 SER C C 173.325 . . 47 11 11 SER CA C 57.048 . . 48 11 11 SER CB C 64.814 . . 49 11 11 SER N N 121.621 . . 50 12 12 VAL H H 8.841 . . 51 12 12 VAL HG1 H 0.941 . . 52 12 12 VAL HG2 H 0.887 . . 53 12 12 VAL C C 176.754 . . 54 12 12 VAL CA C 59.695 . . 55 12 12 VAL CB C 34.781 . . 56 12 12 VAL CG1 C 20.734 . . 57 12 12 VAL CG2 C 20.992 . . 58 12 12 VAL N N 125.886 . . 59 13 13 SER H H 9.349 . . 60 13 13 SER C C 173.720 . . 61 13 13 SER CA C 57.424 . . 62 13 13 SER CB C 64.775 . . 63 13 13 SER N N 121.791 . . 64 14 14 ARG H H 9.371 . . 65 14 14 ARG CA C 52.631 . . 66 14 14 ARG CB C 30.453 . . 67 14 14 ARG N N 121.561 . . 68 15 15 PRO C C 177.622 . . 69 16 16 GLY H H 8.357 . . 70 16 16 GLY C C 174.547 . . 71 16 16 GLY CA C 44.949 . . 72 16 16 GLY N N 108.899 . . 73 17 17 ARG H H 8.261 . . 74 17 17 ARG C C 176.058 . . 75 17 17 ARG CA C 54.814 . . 76 17 17 ARG CB C 30.401 . . 77 17 17 ARG N N 120.185 . . 78 18 18 GLY H H 8.068 . . 79 18 18 GLY C C 173.809 . . 80 18 18 GLY CA C 44.689 . . 81 18 18 GLY N N 108.159 . . 82 19 19 GLU H H 8.237 . . 83 19 19 GLU CA C 54.093 . . 84 19 19 GLU CB C 28.717 . . 85 19 19 GLU N N 121.832 . . 86 20 20 PRO C C 176.739 . . 87 20 20 PRO CA C 63.023 . . 88 20 20 PRO CB C 31.423 . . 89 21 21 ARG H H 8.604 . . 90 21 21 ARG C C 175.257 . . 91 21 21 ARG CA C 55.429 . . 92 21 21 ARG CB C 30.593 . . 93 21 21 ARG N N 125.281 . . 94 22 22 PHE H H 9.122 . . 95 22 22 PHE C C 172.750 . . 96 22 22 PHE CA C 55.988 . . 97 22 22 PHE CB C 42.269 . . 98 22 22 PHE N N 130.698 . . 99 23 23 ILE H H 8.649 . . 100 23 23 ILE HD1 H 0.899 . . 101 23 23 ILE C C 173.925 . . 102 23 23 ILE CA C 58.886 . . 103 23 23 ILE CB C 41.340 . . 104 23 23 ILE CD1 C 14.272 . . 105 23 23 ILE N N 127.264 . . 106 24 24 ALA H H 9.175 . . 107 24 24 ALA HB H 1.268 . . 108 24 24 ALA C C 176.122 . . 109 24 24 ALA CA C 48.925 . . 110 24 24 ALA CB C 23.578 . . 111 24 24 ALA N N 129.108 . . 112 25 25 VAL H H 8.653 . . 113 25 25 VAL HG1 H 0.920 . . 114 25 25 VAL HG2 H 1.133 . . 115 25 25 VAL C C 173.935 . . 116 25 25 VAL CA C 59.483 . . 117 25 25 VAL CB C 35.590 . . 118 25 25 VAL CG1 C 23.636 . . 119 25 25 VAL CG2 C 20.985 . . 120 25 25 VAL N N 114.871 . . 121 26 26 GLY H H 7.309 . . 122 26 26 GLY C C 172.200 . . 123 26 26 GLY CA C 44.454 . . 124 26 26 GLY N N 108.488 . . 125 27 27 TYR H H 9.661 . . 126 27 27 TYR C C 176.348 . . 127 27 27 TYR CA C 57.449 . . 128 27 27 TYR CB C 43.002 . . 129 27 27 TYR N N 125.788 . . 130 28 28 VAL H H 8.875 . . 131 28 28 VAL HG1 H 0.844 . . 132 28 28 VAL HG2 H 0.772 . . 133 28 28 VAL C C 175.803 . . 134 28 28 VAL CA C 61.750 . . 135 28 28 VAL CB C 32.298 . . 136 28 28 VAL CG1 C 22.070 . . 137 28 28 VAL CG2 C 22.322 . . 138 28 28 VAL N N 121.814 . . 139 29 29 ASP H H 9.623 . . 140 29 29 ASP C C 175.768 . . 141 29 29 ASP CA C 55.617 . . 142 29 29 ASP CB C 37.286 . . 143 29 29 ASP N N 127.018 . . 144 30 30 ASP H H 6.956 . . 145 30 30 ASP C C 175.985 . . 146 30 30 ASP CA C 54.616 . . 147 30 30 ASP CB C 38.739 . . 148 30 30 ASP N N 118.693 . . 149 31 31 THR H H 9.299 . . 150 31 31 THR C C 172.515 . . 151 31 31 THR CA C 62.790 . . 152 31 31 THR CB C 70.572 . . 153 31 31 THR N N 120.025 . . 154 32 32 GLN H H 9.067 . . 155 32 32 GLN C C 175.704 . . 156 32 32 GLN CA C 55.203 . . 157 32 32 GLN CB C 26.989 . . 158 32 32 GLN N N 131.915 . . 159 33 33 PHE H H 9.037 . . 160 33 33 PHE C C 174.573 . . 161 33 33 PHE CA C 56.378 . . 162 33 33 PHE CB C 43.556 . . 163 33 33 PHE N N 120.505 . . 164 34 34 VAL H H 6.667 . . 165 34 34 VAL HG1 H 1.069 . . 166 34 34 VAL HG2 H 0.287 . . 167 34 34 VAL C C 175.906 . . 168 34 34 VAL CA C 59.298 . . 169 34 34 VAL CB C 37.486 . . 170 34 34 VAL CG1 C 23.647 . . 171 34 34 VAL CG2 C 17.081 . . 172 34 34 VAL N N 115.460 . . 173 35 35 ARG H H 8.695 . . 174 35 35 ARG C C 173.345 . . 175 35 35 ARG CA C 54.012 . . 176 35 35 ARG CB C 33.597 . . 177 35 35 ARG N N 118.580 . . 178 36 36 PHE H H 9.308 . . 179 36 36 PHE C C 172.861 . . 180 36 36 PHE CA C 57.487 . . 181 36 36 PHE CB C 44.238 . . 182 36 36 PHE N N 121.472 . . 183 37 37 ASP H H 7.298 . . 184 37 37 ASP C C 177.084 . . 185 37 37 ASP CA C 51.519 . . 186 37 37 ASP CB C 42.811 . . 187 37 37 ASP N N 126.659 . . 188 38 38 SER H H 9.802 . . 189 38 38 SER C C 175.242 . . 190 38 38 SER CA C 61.454 . . 191 38 38 SER CB C 62.565 . . 192 38 38 SER N N 124.976 . . 193 39 39 ASP H H 8.700 . . 194 39 39 ASP C C 176.813 . . 195 39 39 ASP CA C 54.009 . . 196 39 39 ASP CB C 39.903 . . 197 39 39 ASP N N 122.525 . . 198 40 40 ALA H H 7.519 . . 199 40 40 ALA HB H 1.623 . . 200 40 40 ALA C C 177.626 . . 201 40 40 ALA CA C 51.359 . . 202 40 40 ALA CB C 18.579 . . 203 40 40 ALA N N 124.058 . . 204 41 41 ALA H H 8.375 . . 205 41 41 ALA HB H 1.431 . . 206 41 41 ALA C C 180.369 . . 207 41 41 ALA CA C 53.786 . . 208 41 41 ALA CB C 18.405 . . 209 41 41 ALA N N 122.058 . . 210 42 42 SER H H 8.093 . . 211 42 42 SER C C 175.550 . . 212 42 42 SER CA C 60.280 . . 213 42 42 SER CB C 61.944 . . 214 42 42 SER N N 112.541 . . 215 43 43 GLN H H 8.404 . . 216 43 43 GLN C C 175.221 . . 217 43 43 GLN CA C 55.702 . . 218 43 43 GLN CB C 25.788 . . 219 43 43 GLN N N 116.168 . . 220 44 44 ARG H H 7.703 . . 221 44 44 ARG CA C 53.161 . . 222 44 44 ARG CB C 32.626 . . 223 44 44 ARG N N 115.314 . . 224 45 45 MET C C 174.757 . . 225 45 45 MET CA C 56.480 . . 226 45 45 MET CB C 33.432 . . 227 46 46 GLU H H 9.328 . . 228 46 46 GLU CA C 52.779 . . 229 46 46 GLU CB C 31.728 . . 230 46 46 GLU N N 126.052 . . 231 48 48 ARG C C 177.839 . . 232 48 48 ARG CB C 35.128 . . 233 49 49 ALA H H 6.407 . . 234 49 49 ALA HB H 0.738 . . 235 49 49 ALA CA C 57.307 . . 236 49 49 ALA CB C 20.544 . . 237 49 49 ALA N N 121.107 . . 238 50 50 PRO C C 176.530 . . 239 51 51 TRP H H 7.300 . . 240 51 51 TRP CA C 58.752 . . 241 51 51 TRP CB C 28.665 . . 242 51 51 TRP N N 122.042 . . 243 52 52 ILE HD1 H 0.843 . . 244 52 52 ILE CD1 C 15.830 . . 245 53 53 GLU C C 176.559 . . 246 53 53 GLU CA C 58.784 . . 247 54 54 GLN H H 7.236 . . 248 54 54 GLN C C 177.390 . . 249 54 54 GLN CA C 56.127 . . 250 54 54 GLN CB C 28.459 . . 251 54 54 GLN N N 112.841 . . 252 55 55 GLU H H 7.697 . . 253 55 55 GLU C C 177.983 . . 254 55 55 GLU CA C 56.253 . . 255 55 55 GLU CB C 28.695 . . 256 55 55 GLU N N 120.572 . . 257 56 56 GLY H H 8.707 . . 258 56 56 GLY CA C 44.789 . . 259 56 56 GLY N N 108.538 . . 260 57 57 PRO C C 178.642 . . 261 57 57 PRO CA C 65.265 . . 262 57 57 PRO CB C 31.242 . . 263 58 58 GLU H H 9.105 . . 264 58 58 GLU C C 180.351 . . 265 58 58 GLU CA C 59.271 . . 266 58 58 GLU CB C 27.657 . . 267 58 58 GLU N N 117.424 . . 268 59 59 TYR H H 7.890 . . 269 59 59 TYR C C 177.330 . . 270 59 59 TYR CA C 60.733 . . 271 59 59 TYR CB C 37.838 . . 272 59 59 TYR N N 123.806 . . 273 60 60 TRP H H 7.225 . . 274 60 60 TRP C C 179.740 . . 275 60 60 TRP CA C 59.403 . . 276 60 60 TRP CB C 28.897 . . 277 60 60 TRP N N 121.438 . . 278 61 61 ASP H H 9.216 . . 279 61 61 ASP C C 179.366 . . 280 61 61 ASP CA C 57.330 . . 281 61 61 ASP CB C 39.967 . . 282 61 61 ASP N N 122.710 . . 283 62 62 GLY H H 7.909 . . 284 62 62 GLY C C 176.384 . . 285 62 62 GLY CA C 47.109 . . 286 62 62 GLY N N 109.427 . . 287 63 63 GLU H H 8.739 . . 288 63 63 GLU CA C 57.952 . . 289 63 63 GLU CB C 28.439 . . 290 63 63 GLU N N 120.624 . . 291 64 64 THR C C 174.387 . . 292 64 64 THR CA C 67.228 . . 293 65 65 ARG H H 9.709 . . 294 65 65 ARG C C 176.216 . . 295 65 65 ARG CA C 59.748 . . 296 65 65 ARG CB C 29.008 . . 297 65 65 ARG N N 127.894 . . 298 66 66 LYS H H 8.104 . . 299 66 66 LYS C C 180.108 . . 300 66 66 LYS CA C 58.828 . . 301 66 66 LYS CB C 31.811 . . 302 66 66 LYS N N 118.330 . . 303 67 67 VAL H H 8.935 . . 304 67 67 VAL HG1 H 0.573 . . 305 67 67 VAL HG2 H 0.998 . . 306 67 67 VAL C C 177.536 . . 307 67 67 VAL CA C 65.498 . . 308 67 67 VAL CB C 28.906 . . 309 67 67 VAL CG1 C 20.445 . . 310 67 67 VAL CG2 C 24.263 . . 311 67 67 VAL N N 126.180 . . 312 68 68 LYS H H 7.734 . . 313 68 68 LYS C C 179.383 . . 314 68 68 LYS CA C 59.320 . . 315 68 68 LYS CB C 30.638 . . 316 68 68 LYS N N 124.287 . . 317 69 69 ALA H H 7.530 . . 318 69 69 ALA HB H 1.400 . . 319 69 69 ALA C C 181.127 . . 320 69 69 ALA CA C 54.641 . . 321 69 69 ALA CB C 16.648 . . 322 69 69 ALA N N 124.017 . . 323 70 70 HIS H H 7.891 . . 324 70 70 HIS C C 176.402 . . 325 70 70 HIS CA C 59.384 . . 326 70 70 HIS CB C 27.321 . . 327 70 70 HIS N N 118.378 . . 328 71 71 SER H H 7.490 . . 329 71 71 SER C C 174.125 . . 330 71 71 SER CA C 60.143 . . 331 71 71 SER CB C 61.621 . . 332 71 71 SER N N 115.791 . . 333 72 72 GLN H H 6.867 . . 334 72 72 GLN CA C 54.149 . . 335 72 72 GLN CB C 31.032 . . 336 72 72 GLN N N 119.999 . . 337 73 73 THR C C 176.330 . . 338 73 73 THR CA C 65.866 . . 339 74 74 HIS H H 7.815 . . 340 74 74 HIS C C 177.081 . . 341 74 74 HIS CA C 57.862 . . 342 74 74 HIS CB C 28.387 . . 343 74 74 HIS N N 119.101 . . 344 75 75 ARG H H 8.050 . . 345 75 75 ARG C C 179.440 . . 346 75 75 ARG CA C 59.932 . . 347 75 75 ARG CB C 28.823 . . 348 75 75 ARG N N 120.484 . . 349 76 76 VAL H H 7.614 . . 350 76 76 VAL HG1 H 1.138 . . 351 76 76 VAL HG2 H 0.775 . . 352 76 76 VAL C C 178.969 . . 353 76 76 VAL CA C 65.907 . . 354 76 76 VAL CB C 30.926 . . 355 76 76 VAL CG1 C 22.868 . . 356 76 76 VAL CG2 C 20.762 . . 357 76 76 VAL N N 122.127 . . 358 77 77 ASP H H 9.251 . . 359 77 77 ASP C C 177.704 . . 360 77 77 ASP CA C 56.991 . . 361 77 77 ASP CB C 40.529 . . 362 77 77 ASP N N 121.654 . . 363 78 78 LEU H H 8.116 . . 364 78 78 LEU HD1 H 1.122 . . 365 78 78 LEU HD2 H 0.983 . . 366 78 78 LEU C C 180.490 . . 367 78 78 LEU CA C 58.707 . . 368 78 78 LEU CB C 41.417 . . 369 78 78 LEU CD1 C 24.329 . . 370 78 78 LEU CD2 C 26.694 . . 371 78 78 LEU N N 118.624 . . 372 79 79 GLY H H 7.297 . . 373 79 79 GLY C C 176.273 . . 374 79 79 GLY CA C 46.654 . . 375 79 79 GLY N N 107.552 . . 376 80 80 THR H H 8.586 . . 377 80 80 THR C C 177.293 . . 378 80 80 THR CA C 64.566 . . 379 80 80 THR CB C 67.127 . . 380 80 80 THR N N 124.051 . . 381 81 81 LEU H H 8.839 . . 382 81 81 LEU HD1 H 0.218 . . 383 81 81 LEU HD2 H 0.057 . . 384 81 81 LEU C C 177.918 . . 385 81 81 LEU CA C 57.969 . . 386 81 81 LEU CB C 39.843 . . 387 81 81 LEU CD1 C 25.515 . . 388 81 81 LEU CD2 C 23.014 . . 389 81 81 LEU N N 122.523 . . 390 82 82 ARG H H 7.024 . . 391 82 82 ARG C C 179.520 . . 392 82 82 ARG CA C 58.915 . . 393 82 82 ARG CB C 28.280 . . 394 82 82 ARG N N 117.668 . . 395 83 83 GLY H H 7.278 . . 396 83 83 GLY C C 177.570 . . 397 83 83 GLY CA C 46.433 . . 398 83 83 GLY N N 105.005 . . 399 84 84 TYR H H 8.314 . . 400 84 84 TYR C C 178.801 . . 401 84 84 TYR CA C 56.600 . . 402 84 84 TYR CB C 36.297 . . 403 84 84 TYR N N 122.853 . . 404 85 85 TYR H H 7.762 . . 405 85 85 TYR C C 174.565 . . 406 85 85 TYR CA C 58.934 . . 407 85 85 TYR CB C 37.063 . . 408 85 85 TYR N N 113.485 . . 409 86 86 ASN H H 7.866 . . 410 86 86 ASN C C 174.861 . . 411 86 86 ASN CA C 54.065 . . 412 86 86 ASN CB C 36.670 . . 413 86 86 ASN N N 120.220 . . 414 87 87 GLN H H 8.618 . . 415 87 87 GLN CA C 54.119 . . 416 87 87 GLN CB C 29.300 . . 417 87 87 GLN N N 117.162 . . 418 89 89 GLU C C 176.041 . . 419 90 90 ALA H H 7.966 . . 420 90 90 ALA HB H 1.355 . . 421 90 90 ALA C C 177.902 . . 422 90 90 ALA CA C 52.783 . . 423 90 90 ALA CB C 18.716 . . 424 90 90 ALA N N 121.135 . . 425 91 91 GLY H H 7.473 . . 426 91 91 GLY C C 172.347 . . 427 91 91 GLY CA C 43.763 . . 428 91 91 GLY N N 105.857 . . 429 92 92 SER H H 7.969 . . 430 92 92 SER C C 174.504 . . 431 92 92 SER CA C 56.871 . . 432 92 92 SER CB C 63.210 . . 433 92 92 SER N N 115.043 . . 434 93 93 HIS H H 8.433 . . 435 93 93 HIS C C 172.789 . . 436 93 93 HIS CA C 54.498 . . 437 93 93 HIS CB C 33.044 . . 438 93 93 HIS N N 124.347 . . 439 94 94 THR H H 8.420 . . 440 94 94 THR CA C 61.368 . . 441 94 94 THR CB C 71.042 . . 442 94 94 THR N N 114.031 . . 443 95 95 VAL HG1 H 0.796 . . 444 95 95 VAL HG2 H 1.121 . . 445 95 95 VAL C C 174.298 . . 446 95 95 VAL CA C 60.467 . . 447 95 95 VAL CB C 34.389 . . 448 95 95 VAL CG1 C 20.609 . . 449 95 95 VAL CG2 C 22.266 . . 450 96 96 GLN H H 8.384 . . 451 96 96 GLN C C 173.090 . . 452 96 96 GLN CA C 52.847 . . 453 96 96 GLN CB C 36.254 . . 454 96 96 GLN N N 124.440 . . 455 97 97 ARG H H 9.413 . . 456 97 97 ARG C C 173.511 . . 457 97 97 ARG CA C 53.576 . . 458 97 97 ARG CB C 34.893 . . 459 97 97 ARG N N 122.006 . . 460 98 98 MET H H 9.498 . . 461 98 98 MET C C 175.038 . . 462 98 98 MET CA C 53.722 . . 463 98 98 MET CB C 35.889 . . 464 98 98 MET N N 128.709 . . 465 99 99 TYR H H 8.424 . . 466 99 99 TYR C C 173.789 . . 467 99 99 TYR CA C 56.265 . . 468 99 99 TYR CB C 41.089 . . 469 99 99 TYR N N 118.825 . . 470 100 100 GLY H H 8.333 . . 471 100 100 GLY C C 170.303 . . 472 100 100 GLY CA C 45.449 . . 473 100 100 GLY N N 103.557 . . 474 101 101 CYS H H 8.613 . . 475 101 101 CYS C C 171.156 . . 476 101 101 CYS CA C 53.341 . . 477 101 101 CYS CB C 48.775 . . 478 101 101 CYS N N 110.751 . . 479 102 102 ASP H H 8.819 . . 480 102 102 ASP C C 176.306 . . 481 102 102 ASP CA C 51.758 . . 482 102 102 ASP CB C 42.831 . . 483 102 102 ASP N N 119.313 . . 484 103 103 VAL H H 9.133 . . 485 103 103 VAL HG1 H 0.875 . . 486 103 103 VAL HG2 H 0.828 . . 487 103 103 VAL C C 175.611 . . 488 103 103 VAL CA C 57.968 . . 489 103 103 VAL CB C 34.636 . . 490 103 103 VAL CG1 C 22.489 . . 491 103 103 VAL CG2 C 18.807 . . 492 103 103 VAL N N 114.390 . . 493 104 104 GLY H H 8.345 . . 494 104 104 GLY CA C 43.619 . . 495 104 104 GLY N N 107.186 . . 496 107 107 TRP C C 174.564 . . 497 107 107 TRP CA C 56.981 . . 498 108 108 ARG H H 7.670 . . 499 108 108 ARG C C 176.299 . . 500 108 108 ARG CA C 55.015 . . 501 108 108 ARG CB C 30.302 . . 502 108 108 ARG N N 117.824 . . 503 109 109 PHE H H 8.992 . . 504 109 109 PHE C C 174.398 . . 505 109 109 PHE CA C 60.370 . . 506 109 109 PHE CB C 39.225 . . 507 109 109 PHE N N 121.854 . . 508 110 110 LEU H H 8.365 . . 509 110 110 LEU HD1 H 0.748 . . 510 110 110 LEU HD2 H 0.768 . . 511 110 110 LEU C C 175.845 . . 512 110 110 LEU CA C 54.772 . . 513 110 110 LEU CB C 44.422 . . 514 110 110 LEU CD1 C 24.580 . . 515 110 110 LEU CD2 C 23.829 . . 516 110 110 LEU N N 127.641 . . 517 111 111 ARG H H 6.374 . . 518 111 111 ARG C C 174.708 . . 519 111 111 ARG CA C 55.194 . . 520 111 111 ARG CB C 32.470 . . 521 111 111 ARG N N 113.909 . . 522 112 112 GLY H H 8.431 . . 523 112 112 GLY C C 170.243 . . 524 112 112 GLY CA C 43.759 . . 525 112 112 GLY N N 107.700 . . 526 113 113 TYR H H 8.179 . . 527 113 113 TYR C C 176.005 . . 528 113 113 TYR CA C 55.704 . . 529 113 113 TYR CB C 41.672 . . 530 113 113 TYR N N 116.453 . . 531 114 114 HIS H H 9.850 . . 532 114 114 HIS CA C 58.289 . . 533 114 114 HIS CB C 29.893 . . 534 114 114 HIS N N 118.697 . . 535 115 115 GLN C C 173.402 . . 536 115 115 GLN CA C 54.767 . . 537 116 116 TYR H H 9.419 . . 538 116 116 TYR CA C 56.843 . . 539 116 116 TYR CB C 44.694 . . 540 116 116 TYR N N 123.531 . . 541 117 117 ALA C C 175.194 . . 542 117 117 ALA CA C 50.611 . . 543 117 117 ALA CB C 19.688 . . 544 118 118 TYR H H 8.223 . . 545 118 118 TYR C C 175.112 . . 546 118 118 TYR CA C 54.469 . . 547 118 118 TYR CB C 40.065 . . 548 118 118 TYR N N 119.785 . . 549 119 119 ASP H H 9.566 . . 550 119 119 ASP C C 174.565 . . 551 119 119 ASP CA C 55.022 . . 552 119 119 ASP CB C 38.308 . . 553 119 119 ASP N N 129.385 . . 554 120 120 GLY H H 9.215 . . 555 120 120 GLY C C 171.648 . . 556 120 120 GLY CA C 44.040 . . 557 120 120 GLY N N 101.862 . . 558 121 121 LYS H H 7.185 . . 559 121 121 LYS CA C 53.397 . . 560 121 121 LYS CB C 34.159 . . 561 121 121 LYS N N 118.708 . . 562 122 122 ASP C C 174.268 . . 563 122 122 ASP CA C 56.904 . . 564 122 122 ASP CB C 41.109 . . 565 123 123 TYR H H 8.706 . . 566 123 123 TYR C C 172.566 . . 567 123 123 TYR CA C 59.711 . . 568 123 123 TYR CB C 41.194 . . 569 123 123 TYR N N 123.491 . . 570 124 124 ILE H H 7.668 . . 571 124 124 ILE HD1 H 0.105 . . 572 124 124 ILE C C 172.568 . . 573 124 124 ILE CA C 59.852 . . 574 124 124 ILE CB C 40.708 . . 575 124 124 ILE CD1 C 13.562 . . 576 124 124 ILE N N 114.628 . . 577 125 125 ALA H H 8.541 . . 578 125 125 ALA C C 175.748 . . 579 125 125 ALA CA C 51.374 . . 580 125 125 ALA CB C 22.866 . . 581 125 125 ALA N N 127.617 . . 582 126 126 LEU H H 8.585 . . 583 126 126 LEU HD1 H -0.320 . . 584 126 126 LEU HD2 H 0.476 . . 585 126 126 LEU C C 177.291 . . 586 126 126 LEU CA C 54.452 . . 587 126 126 LEU CB C 43.327 . . 588 126 126 LEU CD1 C 20.149 . . 589 126 126 LEU CD2 C 27.603 . . 590 126 126 LEU N N 125.908 . . 591 127 127 LYS H H 8.733 . . 592 127 127 LYS C C 177.327 . . 593 127 127 LYS CA C 57.342 . . 594 127 127 LYS CB C 31.735 . . 595 127 127 LYS N N 128.046 . . 596 128 128 GLU H H 8.758 . . 597 128 128 GLU C C 176.379 . . 598 128 128 GLU CA C 58.680 . . 599 128 128 GLU CB C 28.620 . . 600 128 128 GLU N N 119.856 . . 601 129 129 ASP H H 7.284 . . 602 129 129 ASP C C 176.007 . . 603 129 129 ASP CA C 53.697 . . 604 129 129 ASP CB C 39.146 . . 605 129 129 ASP N N 115.815 . . 606 130 130 LEU H H 8.428 . . 607 130 130 LEU HD1 H 0.979 . . 608 130 130 LEU HD2 H 0.817 . . 609 130 130 LEU C C 175.036 . . 610 130 130 LEU CA C 55.526 . . 611 130 130 LEU CB C 38.136 . . 612 130 130 LEU CD1 C 27.111 . . 613 130 130 LEU CD2 C 22.800 . . 614 130 130 LEU N N 114.221 . . 615 131 131 ARG H H 8.163 . . 616 131 131 ARG C C 175.127 . . 617 131 131 ARG CA C 55.422 . . 618 131 131 ARG CB C 32.903 . . 619 131 131 ARG N N 113.860 . . 620 132 132 SER H H 7.909 . . 621 132 132 SER C C 171.684 . . 622 132 132 SER CA C 56.661 . . 623 132 132 SER CB C 64.133 . . 624 132 132 SER N N 115.217 . . 625 133 133 TRP H H 8.612 . . 626 133 133 TRP C C 176.435 . . 627 133 133 TRP CB C 32.929 . . 628 133 133 TRP N N 119.671 . . 629 134 134 THR H H 9.669 . . 630 134 134 THR CA C 60.680 . . 631 134 134 THR CB C 69.364 . . 632 134 134 THR N N 119.312 . . 633 135 135 ALA C C 176.670 . . 634 135 135 ALA CA C 50.144 . . 635 136 136 ALA H H 8.270 . . 636 136 136 ALA C C 176.939 . . 637 136 136 ALA CA C 54.227 . . 638 136 136 ALA CB C 19.624 . . 639 136 136 ALA N N 125.517 . . 640 137 137 ASP H H 7.289 . . 641 137 137 ASP CA C 52.053 . . 642 137 137 ASP CB C 41.198 . . 643 137 137 ASP N N 115.115 . . 644 138 138 MET C C 178.835 . . 645 138 138 MET CA C 57.735 . . 646 139 139 ALA H H 7.861 . . 647 139 139 ALA C C 178.635 . . 648 139 139 ALA CA C 54.564 . . 649 139 139 ALA CB C 16.657 . . 650 139 139 ALA N N 125.719 . . 651 140 140 ALA H H 8.078 . . 652 140 140 ALA HB H 0.666 . . 653 140 140 ALA C C 179.528 . . 654 140 140 ALA CA C 53.417 . . 655 140 140 ALA CB C 18.714 . . 656 140 140 ALA N N 118.453 . . 657 141 141 GLN H H 7.664 . . 658 141 141 GLN C C 178.159 . . 659 141 141 GLN CA C 58.116 . . 660 141 141 GLN CB C 26.618 . . 661 141 141 GLN N N 117.374 . . 662 142 142 THR H H 7.529 . . 663 142 142 THR C C 176.799 . . 664 142 142 THR CA C 66.165 . . 665 142 142 THR CB C 67.208 . . 666 142 142 THR N N 118.857 . . 667 143 143 THR H H 6.834 . . 668 143 143 THR C C 173.575 . . 669 143 143 THR CA C 66.442 . . 670 143 143 THR CB C 67.317 . . 671 143 143 THR N N 120.412 . . 672 144 144 LYS H H 8.064 . . 673 144 144 LYS C C 176.886 . . 674 144 144 LYS CB C 32.120 . . 675 144 144 LYS N N 121.176 . . 676 145 145 HIS H H 7.790 . . 677 145 145 HIS C C 178.718 . . 678 145 145 HIS CA C 58.968 . . 679 145 145 HIS CB C 29.085 . . 680 145 145 HIS N N 116.830 . . 681 146 146 LYS H H 7.685 . . 682 146 146 LYS C C 180.061 . . 683 146 146 LYS CA C 59.521 . . 684 146 146 LYS N N 120.715 . . 685 147 147 TRP H H 9.023 . . 686 147 147 TRP C C 181.735 . . 687 147 147 TRP CA C 57.621 . . 688 147 147 TRP CB C 27.451 . . 689 147 147 TRP N N 121.930 . . 690 148 148 GLU H H 9.076 . . 691 148 148 GLU C C 179.606 . . 692 148 148 GLU CA C 59.692 . . 693 148 148 GLU CB C 28.543 . . 694 148 148 GLU N N 125.649 . . 695 149 149 ALA H H 7.895 . . 696 149 149 ALA HB H 1.472 . . 697 149 149 ALA C C 178.589 . . 698 149 149 ALA CA C 54.256 . . 699 149 149 ALA CB C 17.135 . . 700 149 149 ALA N N 123.199 . . 701 150 150 ALA H H 7.412 . . 702 150 150 ALA HB H 1.545 . . 703 150 150 ALA C C 176.574 . . 704 150 150 ALA CA C 51.084 . . 705 150 150 ALA CB C 18.609 . . 706 150 150 ALA N N 115.946 . . 707 151 151 HIS H H 7.619 . . 708 151 151 HIS C C 175.513 . . 709 151 151 HIS CA C 57.001 . . 710 151 151 HIS CB C 25.766 . . 711 151 151 HIS N N 114.368 . . 712 152 152 VAL H H 7.936 . . 713 152 152 VAL HG1 H 0.836 . . 714 152 152 VAL HG2 H 0.393 . . 715 152 152 VAL C C 178.249 . . 716 152 152 VAL CA C 65.690 . . 717 152 152 VAL CB C 32.179 . . 718 152 152 VAL CG1 C 23.192 . . 719 152 152 VAL CG2 C 20.779 . . 720 152 152 VAL N N 118.051 . . 721 153 153 ALA H H 9.607 . . 722 153 153 ALA HB H 1.219 . . 723 153 153 ALA C C 175.988 . . 724 153 153 ALA CA C 55.596 . . 725 153 153 ALA CB C 16.128 . . 726 153 153 ALA N N 121.530 . . 727 154 154 GLU H H 8.150 . . 728 154 154 GLU C C 180.040 . . 729 154 154 GLU CA C 59.646 . . 730 154 154 GLU CB C 28.361 . . 731 154 154 GLU N N 117.368 . . 732 155 155 GLN H H 7.331 . . 733 155 155 GLN C C 179.784 . . 734 155 155 GLN CA C 57.966 . . 735 155 155 GLN CB C 28.140 . . 736 155 155 GLN N N 118.966 . . 737 156 156 LEU H H 8.171 . . 738 156 156 LEU HD1 H 0.034 . . 739 156 156 LEU HD2 H -0.202 . . 740 156 156 LEU C C 178.322 . . 741 156 156 LEU CA C 56.727 . . 742 156 156 LEU CB C 41.389 . . 743 156 156 LEU CD1 C 24.434 . . 744 156 156 LEU CD2 C 23.125 . . 745 156 156 LEU N N 121.271 . . 746 157 157 ARG H H 9.260 . . 747 157 157 ARG C C 176.974 . . 748 157 157 ARG CA C 60.503 . . 749 157 157 ARG CB C 28.360 . . 750 157 157 ARG N N 122.018 . . 751 158 158 ALA H H 7.085 . . 752 158 158 ALA HB H 1.554 . . 753 158 158 ALA C C 181.142 . . 754 158 158 ALA CA C 54.273 . . 755 158 158 ALA CB C 17.275 . . 756 158 158 ALA N N 118.067 . . 757 159 159 TYR H H 7.341 . . 758 159 159 TYR CA C 60.306 . . 759 159 159 TYR CB C 38.448 . . 760 159 159 TYR N N 118.089 . . 761 160 160 LEU HD1 H 0.765 . . 762 160 160 LEU HD2 H 1.323 . . 763 160 160 LEU C C 175.722 . . 764 160 160 LEU CA C 57.980 . . 765 160 160 LEU CB C 41.854 . . 766 160 160 LEU CD1 C 27.244 . . 767 160 160 LEU CD2 C 22.832 . . 768 161 161 GLU H H 7.756 . . 769 161 161 GLU C C 176.605 . . 770 161 161 GLU CA C 56.165 . . 771 161 161 GLU CB C 29.570 . . 772 161 161 GLU N N 109.094 . . 773 162 162 GLY H H 6.931 . . 774 162 162 GLY C C 173.104 . . 775 162 162 GLY CA C 45.611 . . 776 162 162 GLY N N 107.063 . . 777 163 163 THR H H 7.719 . . 778 163 163 THR C C 174.549 . . 779 163 163 THR CA C 66.412 . . 780 163 163 THR CB C 69.144 . . 781 163 163 THR N N 125.191 . . 782 164 164 CYS H H 9.478 . . 783 164 164 CYS C C 174.853 . . 784 164 164 CYS CA C 60.540 . . 785 164 164 CYS CB C 41.501 . . 786 164 164 CYS N N 119.660 . . 787 165 165 VAL H H 6.222 . . 788 165 165 VAL HG1 H 1.093 . . 789 165 165 VAL HG2 H 1.290 . . 790 165 165 VAL C C 177.540 . . 791 165 165 VAL CA C 65.323 . . 792 165 165 VAL CB C 31.466 . . 793 165 165 VAL CG1 C 22.040 . . 794 165 165 VAL CG2 C 23.509 . . 795 165 165 VAL N N 116.818 . . 796 166 166 GLU H H 8.190 . . 797 166 166 GLU C C 180.025 . . 798 166 166 GLU CA C 58.888 . . 799 166 166 GLU CB C 28.962 . . 800 166 166 GLU N N 120.073 . . 801 167 167 TRP H H 8.666 . . 802 167 167 TRP C C 175.457 . . 803 167 167 TRP CA C 61.273 . . 804 167 167 TRP CB C 28.949 . . 805 167 167 TRP N N 120.566 . . 806 168 168 LEU H H 8.146 . . 807 168 168 LEU HD1 H 0.975 . . 808 168 168 LEU HD2 H 0.924 . . 809 168 168 LEU C C 178.090 . . 810 168 168 LEU CA C 58.439 . . 811 168 168 LEU CB C 40.003 . . 812 168 168 LEU CD1 C 23.962 . . 813 168 168 LEU CD2 C 27.789 . . 814 168 168 LEU N N 121.733 . . 815 169 169 ARG H H 7.860 . . 816 169 169 ARG C C 177.682 . . 817 169 169 ARG CA C 59.556 . . 818 169 169 ARG CB C 28.991 . . 819 169 169 ARG N N 116.323 . . 820 170 170 ARG H H 6.992 . . 821 170 170 ARG C C 178.404 . . 822 170 170 ARG CA C 58.513 . . 823 170 170 ARG CB C 28.707 . . 824 170 170 ARG N N 120.552 . . 825 171 171 TYR H H 8.459 . . 826 171 171 TYR C C 178.110 . . 827 171 171 TYR CA C 57.223 . . 828 171 171 TYR CB C 36.049 . . 829 171 171 TYR N N 120.023 . . 830 172 172 LEU H H 8.199 . . 831 172 172 LEU HD1 H -0.061 . . 832 172 172 LEU HD2 H -0.236 . . 833 172 172 LEU C C 179.352 . . 834 172 172 LEU CA C 58.801 . . 835 172 172 LEU CB C 40.803 . . 836 172 172 LEU CD1 C 22.418 . . 837 172 172 LEU CD2 C 24.796 . . 838 172 172 LEU N N 117.592 . . 839 173 173 GLU H H 7.644 . . 840 173 173 GLU C C 179.532 . . 841 173 173 GLU CA C 58.175 . . 842 173 173 GLU CB C 28.757 . . 843 173 173 GLU N N 118.590 . . 844 174 174 ASN H H 8.743 . . 845 174 174 ASN C C 177.726 . . 846 174 174 ASN CA C 55.045 . . 847 174 174 ASN CB C 36.583 . . 848 174 174 ASN N N 121.306 . . 849 175 175 GLY H H 8.567 . . 850 175 175 GLY C C 174.797 . . 851 175 175 GLY CA C 44.091 . . 852 175 175 GLY N N 108.545 . . 853 176 176 LYS H H 6.789 . . 854 176 176 LYS C C 177.291 . . 855 176 176 LYS CA C 60.525 . . 856 176 176 LYS CB C 31.935 . . 857 176 176 LYS N N 122.289 . . 858 177 177 GLU H H 8.681 . . 859 177 177 GLU CA C 59.021 . . 860 177 177 GLU CB C 28.659 . . 861 177 177 GLU N N 117.825 . . 862 179 179 LEU HD1 H -0.174 . . 863 179 179 LEU HD2 H 0.848 . . 864 179 179 LEU CD1 C 24.516 . . 865 179 179 LEU CD2 C 21.465 . . 866 181 181 ARG C C 174.686 . . 867 181 181 ARG CA C 54.257 . . 868 181 181 ARG CB C 31.096 . . 869 182 182 THR H H 8.460 . . 870 182 182 THR C C 173.783 . . 871 182 182 THR CA C 59.868 . . 872 182 182 THR CB C 70.217 . . 873 182 182 THR N N 115.315 . . 874 183 183 ASP H H 9.519 . . 875 183 183 ASP C C 174.699 . . 876 183 183 ASP CA C 52.806 . . 877 183 183 ASP CB C 41.456 . . 878 183 183 ASP N N 127.581 . . 879 184 184 ALA H H 8.693 . . 880 184 184 ALA HB H 1.325 . . 881 184 184 ALA CA C 49.661 . . 882 184 184 ALA CB C 16.537 . . 883 184 184 ALA N N 125.870 . . 884 185 185 PRO C C 176.280 . . 885 185 185 PRO CA C 61.887 . . 886 186 186 LYS H H 9.266 . . 887 186 186 LYS C C 178.074 . . 888 186 186 LYS CA C 55.516 . . 889 186 186 LYS CB C 31.214 . . 890 186 186 LYS N N 125.199 . . 891 187 187 THR H H 8.436 . . 892 187 187 THR C C 174.352 . . 893 187 187 THR CA C 59.032 . . 894 187 187 THR CB C 71.432 . . 895 187 187 THR N N 117.039 . . 896 188 188 HIS H H 8.139 . . 897 188 188 HIS CA C 55.985 . . 898 188 188 HIS CB C 31.703 . . 899 188 188 HIS N N 116.017 . . 900 189 189 MET C C 175.738 . . 901 189 189 MET CA C 53.658 . . 902 189 189 MET CB C 37.145 . . 903 190 190 THR H H 9.547 . . 904 190 190 THR C C 171.991 . . 905 190 190 THR CA C 60.138 . . 906 190 190 THR CB C 70.418 . . 907 190 190 THR N N 116.236 . . 908 191 191 HIS H H 8.002 . . 909 191 191 HIS C C 174.099 . . 910 191 191 HIS CA C 54.851 . . 911 191 191 HIS CB C 33.835 . . 912 191 191 HIS N N 121.923 . . 913 192 192 HIS H H 8.156 . . 914 192 192 HIS CA C 53.858 . . 915 192 192 HIS CB C 31.121 . . 916 192 192 HIS N N 123.613 . . 917 193 193 ALA HB H 1.411 . . 918 193 193 ALA C C 177.479 . . 919 193 193 ALA CA C 52.627 . . 920 193 193 ALA CB C 18.057 . . 921 194 194 VAL H H 8.214 . . 922 194 194 VAL HG1 H 0.817 . . 923 194 194 VAL HG2 H 0.741 . . 924 194 194 VAL C C 175.223 . . 925 194 194 VAL CA C 62.451 . . 926 194 194 VAL CB C 32.343 . . 927 194 194 VAL CG1 C 21.034 . . 928 194 194 VAL CG2 C 20.671 . . 929 194 194 VAL N N 121.855 . . 930 195 195 SER H H 8.169 . . 931 195 195 SER CA C 56.289 . . 932 195 195 SER CB C 64.534 . . 933 195 195 SER N N 116.032 . . 934 196 196 ASP C C 176.490 . . 935 197 197 HIS H H 8.036 . . 936 197 197 HIS C C 175.464 . . 937 197 197 HIS CA C 55.783 . . 938 197 197 HIS CB C 31.166 . . 939 197 197 HIS N N 113.793 . . 940 198 198 GLU H H 7.279 . . 941 198 198 GLU C C 174.106 . . 942 198 198 GLU CA C 54.930 . . 943 198 198 GLU CB C 33.856 . . 944 198 198 GLU N N 121.169 . . 945 199 199 ALA H H 9.021 . . 946 199 199 ALA HB H 0.767 . . 947 199 199 ALA C C 174.536 . . 948 199 199 ALA CA C 50.244 . . 949 199 199 ALA CB C 21.915 . . 950 199 199 ALA N N 124.427 . . 951 200 200 THR H H 8.857 . . 952 200 200 THR C C 174.225 . . 953 200 200 THR CA C 61.122 . . 954 200 200 THR CB C 69.660 . . 955 200 200 THR N N 117.603 . . 956 201 201 LEU H H 8.484 . . 957 201 201 LEU HD1 H 0.657 . . 958 201 201 LEU HD2 H 0.542 . . 959 201 201 LEU C C 174.989 . . 960 201 201 LEU CA C 52.331 . . 961 201 201 LEU CB C 42.996 . . 962 201 201 LEU CD1 C 25.954 . . 963 201 201 LEU CD2 C 24.049 . . 964 201 201 LEU N N 127.045 . . 965 202 202 ARG H H 8.850 . . 966 202 202 ARG C C 172.844 . . 967 202 202 ARG CA C 55.041 . . 968 202 202 ARG CB C 31.205 . . 969 202 202 ARG N N 123.433 . . 970 203 203 CYS H H 9.634 . . 971 203 203 CYS C C 172.093 . . 972 203 203 CYS CA C 53.354 . . 973 203 203 CYS CB C 41.821 . . 974 203 203 CYS N N 128.524 . . 975 204 204 TRP H H 9.104 . . 976 204 204 TRP C C 174.451 . . 977 204 204 TRP CA C 57.094 . . 978 204 204 TRP CB C 31.406 . . 979 204 204 TRP N N 126.106 . . 980 205 205 ALA H H 8.884 . . 981 205 205 ALA HB H 1.126 . . 982 205 205 ALA C C 175.061 . . 983 205 205 ALA CA C 50.491 . . 984 205 205 ALA CB C 21.810 . . 985 205 205 ALA N N 120.599 . . 986 206 206 LEU H H 9.090 . . 987 206 206 LEU HD1 H 1.028 . . 988 206 206 LEU HD2 H 1.277 . . 989 206 206 LEU C C 176.637 . . 990 206 206 LEU CA C 53.355 . . 991 206 206 LEU CB C 45.634 . . 992 206 206 LEU CD1 C 25.693 . . 993 206 206 LEU CD2 C 23.919 . . 994 206 206 LEU N N 121.677 . . 995 207 207 SER H H 8.391 . . 996 207 207 SER C C 173.671 . . 997 207 207 SER CA C 57.708 . . 998 207 207 SER CB C 61.418 . . 999 207 207 SER N N 115.465 . . 1000 208 208 PHE H H 7.638 . . 1001 208 208 PHE C C 175.039 . . 1002 208 208 PHE CA C 53.409 . . 1003 208 208 PHE CB C 41.228 . . 1004 208 208 PHE N N 112.415 . . 1005 209 209 TYR H H 8.870 . . 1006 209 209 TYR CA C 58.281 . . 1007 209 209 TYR CB C 42.241 . . 1008 209 209 TYR N N 120.067 . . 1009 210 210 PRO C C 174.930 . . 1010 210 210 PRO CA C 61.921 . . 1011 210 210 PRO CB C 33.777 . . 1012 211 211 ALA H H 8.001 . . 1013 211 211 ALA C C 177.862 . . 1014 211 211 ALA CA C 54.187 . . 1015 211 211 ALA CB C 16.642 . . 1016 211 211 ALA N N 119.504 . . 1017 212 212 GLU H H 7.257 . . 1018 212 212 GLU C C 173.555 . . 1019 212 212 GLU CA C 57.261 . . 1020 212 212 GLU CB C 28.339 . . 1021 212 212 GLU N N 118.880 . . 1022 213 213 ILE H H 7.360 . . 1023 213 213 ILE HD1 H -0.572 . . 1024 213 213 ILE C C 172.691 . . 1025 213 213 ILE CA C 60.276 . . 1026 213 213 ILE CB C 39.137 . . 1027 213 213 ILE CD1 C 13.042 . . 1028 213 213 ILE N N 124.710 . . 1029 214 214 THR H H 8.111 . . 1030 214 214 THR C C 172.340 . . 1031 214 214 THR CA C 61.690 . . 1032 214 214 THR CB C 70.480 . . 1033 214 214 THR N N 120.097 . . 1034 215 215 LEU H H 8.641 . . 1035 215 215 LEU HD2 H 0.651 . . 1036 215 215 LEU C C 175.427 . . 1037 215 215 LEU CA C 53.450 . . 1038 215 215 LEU CB C 44.281 . . 1039 215 215 LEU CD2 C 25.414 . . 1040 215 215 LEU N N 128.744 . . 1041 216 216 THR H H 8.532 . . 1042 216 216 THR C C 172.806 . . 1043 216 216 THR CA C 59.746 . . 1044 216 216 THR CB C 71.946 . . 1045 216 216 THR N N 115.177 . . 1046 217 217 TRP H H 9.054 . . 1047 217 217 TRP C C 176.332 . . 1048 217 217 TRP CA C 56.075 . . 1049 217 217 TRP CB C 32.144 . . 1050 217 217 TRP N N 121.527 . . 1051 218 218 GLN H H 9.764 . . 1052 218 218 GLN C C 174.879 . . 1053 218 218 GLN CA C 53.852 . . 1054 218 218 GLN CB C 31.814 . . 1055 218 218 GLN N N 119.022 . . 1056 219 219 ARG H H 8.600 . . 1057 219 219 ARG C C 176.510 . . 1058 219 219 ARG CA C 54.045 . . 1059 219 219 ARG CB C 31.664 . . 1060 219 219 ARG N N 120.837 . . 1061 220 220 ASP H H 9.249 . . 1062 220 220 ASP C C 176.004 . . 1063 220 220 ASP CA C 55.143 . . 1064 220 220 ASP CB C 39.290 . . 1065 220 220 ASP N N 128.966 . . 1066 221 221 GLY H H 8.428 . . 1067 221 221 GLY C C 173.418 . . 1068 221 221 GLY CA C 45.125 . . 1069 221 221 GLY N N 103.209 . . 1070 222 222 GLU H H 7.756 . . 1071 222 222 GLU C C 176.677 . . 1072 222 222 GLU CA C 54.008 . . 1073 222 222 GLU CB C 30.667 . . 1074 222 222 GLU N N 119.683 . . 1075 223 223 ASP H H 8.908 . . 1076 223 223 ASP C C 176.424 . . 1077 223 223 ASP CA C 56.050 . . 1078 223 223 ASP CB C 40.593 . . 1079 223 223 ASP N N 126.974 . . 1080 224 224 GLN H H 8.723 . . 1081 224 224 GLN CA C 53.571 . . 1082 224 224 GLN CB C 28.862 . . 1083 224 224 GLN N N 123.530 . . 1084 226 226 GLN C C 175.809 . . 1085 226 226 GLN CA C 56.928 . . 1086 226 226 GLN CB C 28.330 . . 1087 227 227 ASP H H 8.197 . . 1088 227 227 ASP C C 175.146 . . 1089 227 227 ASP CA C 54.664 . . 1090 227 227 ASP CB C 40.579 . . 1091 227 227 ASP N N 118.045 . . 1092 228 228 THR H H 7.471 . . 1093 228 228 THR C C 173.925 . . 1094 228 228 THR CA C 61.300 . . 1095 228 228 THR CB C 70.767 . . 1096 228 228 THR N N 112.927 . . 1097 229 229 GLU H H 9.200 . . 1098 229 229 GLU C C 174.079 . . 1099 229 229 GLU CA C 55.074 . . 1100 229 229 GLU CB C 31.211 . . 1101 229 229 GLU N N 126.829 . . 1102 230 230 LEU H H 8.692 . . 1103 230 230 LEU HD1 H 1.015 . . 1104 230 230 LEU HD2 H 1.011 . . 1105 230 230 LEU C C 176.695 . . 1106 230 230 LEU CA C 53.579 . . 1107 230 230 LEU CB C 44.280 . . 1108 230 230 LEU CD1 C 25.817 . . 1109 230 230 LEU CD2 C 25.094 . . 1110 230 230 LEU N N 128.148 . . 1111 231 231 VAL H H 6.588 . . 1112 231 231 VAL HG1 H -0.313 . . 1113 231 231 VAL HG2 H -0.077 . . 1114 231 231 VAL C C 175.663 . . 1115 231 231 VAL CA C 58.821 . . 1116 231 231 VAL CB C 31.920 . . 1117 231 231 VAL CG1 C 21.011 . . 1118 231 231 VAL CG2 C 17.057 . . 1119 231 231 VAL N N 116.066 . . 1120 232 232 GLU H H 8.164 . . 1121 232 232 GLU C C 175.859 . . 1122 232 232 GLU CA C 56.030 . . 1123 232 232 GLU CB C 28.920 . . 1124 232 232 GLU N N 123.327 . . 1125 233 233 THR H H 8.605 . . 1126 233 233 THR C C 173.863 . . 1127 233 233 THR CA C 64.070 . . 1128 233 233 THR CB C 68.137 . . 1129 233 233 THR N N 122.169 . . 1130 234 234 ARG H H 8.862 . . 1131 234 234 ARG CA C 50.365 . . 1132 234 234 ARG CB C 29.895 . . 1133 234 234 ARG N N 124.918 . . 1134 235 235 PRO C C 177.370 . . 1135 235 235 PRO CA C 60.939 . . 1136 235 235 PRO CB C 30.751 . . 1137 236 236 ALA H H 8.779 . . 1138 236 236 ALA HB H 1.361 . . 1139 236 236 ALA C C 178.104 . . 1140 236 236 ALA CA C 53.201 . . 1141 236 236 ALA CB C 19.298 . . 1142 236 236 ALA N N 125.387 . . 1143 237 237 GLY H H 8.577 . . 1144 237 237 GLY C C 172.172 . . 1145 237 237 GLY CA C 43.646 . . 1146 237 237 GLY N N 105.835 . . 1147 238 238 ASP H H 7.287 . . 1148 238 238 ASP C C 176.140 . . 1149 238 238 ASP CA C 51.177 . . 1150 238 238 ASP CB C 40.285 . . 1151 238 238 ASP N N 117.702 . . 1152 239 239 GLY H H 8.215 . . 1153 239 239 GLY C C 173.455 . . 1154 239 239 GLY CA C 44.261 . . 1155 239 239 GLY N N 109.328 . . 1156 240 240 THR H H 7.456 . . 1157 240 240 THR C C 174.337 . . 1158 240 240 THR CA C 59.874 . . 1159 240 240 THR CB C 71.263 . . 1160 240 240 THR N N 109.374 . . 1161 241 241 PHE H H 8.658 . . 1162 241 241 PHE C C 171.744 . . 1163 241 241 PHE CA C 57.372 . . 1164 241 241 PHE CB C 43.033 . . 1165 241 241 PHE N N 120.129 . . 1166 242 242 GLN H H 8.463 . . 1167 242 242 GLN C C 175.638 . . 1168 242 242 GLN CA C 52.822 . . 1169 242 242 GLN CB C 32.624 . . 1170 242 242 GLN N N 111.017 . . 1171 243 243 LYS H H 9.509 . . 1172 243 243 LYS C C 172.068 . . 1173 243 243 LYS CA C 57.151 . . 1174 243 243 LYS CB C 37.929 . . 1175 243 243 LYS N N 120.567 . . 1176 244 244 TRP H H 6.113 . . 1177 244 244 TRP C C 173.901 . . 1178 244 244 TRP CA C 54.581 . . 1179 244 244 TRP CB C 32.965 . . 1180 244 244 TRP N N 116.404 . . 1181 245 245 ALA H H 8.672 . . 1182 245 245 ALA C C 177.227 . . 1183 245 245 ALA CA C 50.317 . . 1184 245 245 ALA CB C 23.078 . . 1185 245 245 ALA N N 119.040 . . 1186 246 246 ALA H H 10.539 . . 1187 246 246 ALA C C 174.798 . . 1188 246 246 ALA CA C 50.520 . . 1189 246 246 ALA CB C 23.624 . . 1190 246 246 ALA N N 130.330 . . 1191 247 247 VAL H H 8.206 . . 1192 247 247 VAL HG1 H -0.301 . . 1193 247 247 VAL HG2 H -0.060 . . 1194 247 247 VAL C C 172.381 . . 1195 247 247 VAL CA C 58.762 . . 1196 247 247 VAL CB C 34.431 . . 1197 247 247 VAL CG1 C 19.394 . . 1198 247 247 VAL CG2 C 19.217 . . 1199 247 247 VAL N N 117.309 . . 1200 248 248 VAL H H 7.813 . . 1201 248 248 VAL HG1 H 0.598 . . 1202 248 248 VAL HG2 H 0.776 . . 1203 248 248 VAL C C 175.889 . . 1204 248 248 VAL CA C 61.193 . . 1205 248 248 VAL CB C 31.019 . . 1206 248 248 VAL CG1 C 21.178 . . 1207 248 248 VAL CG2 C 21.008 . . 1208 248 248 VAL N N 125.714 . . 1209 249 249 VAL H H 9.128 . . 1210 249 249 VAL HG1 H 0.242 . . 1211 249 249 VAL HG2 H -0.363 . . 1212 249 249 VAL CA C 56.380 . . 1213 249 249 VAL CB C 31.967 . . 1214 249 249 VAL CG1 C 18.401 . . 1215 249 249 VAL CG2 C 20.681 . . 1216 249 249 VAL N N 123.595 . . 1217 250 250 PRO C C 177.571 . . 1218 250 250 PRO CA C 61.202 . . 1219 250 250 PRO CB C 30.991 . . 1220 251 251 SER H H 7.988 . . 1221 251 251 SER C C 176.168 . . 1222 251 251 SER CA C 59.386 . . 1223 251 251 SER CB C 62.054 . . 1224 251 251 SER N N 120.258 . . 1225 252 252 GLY H H 9.375 . . 1226 252 252 GLY C C 175.495 . . 1227 252 252 GLY CA C 44.986 . . 1228 252 252 GLY N N 117.347 . . 1229 253 253 GLN H H 8.068 . . 1230 253 253 GLN C C 176.724 . . 1231 253 253 GLN CA C 54.701 . . 1232 253 253 GLN CB C 27.994 . . 1233 253 253 GLN N N 118.747 . . 1234 254 254 GLU H H 10.404 . . 1235 254 254 GLU C C 178.583 . . 1236 254 254 GLU CA C 62.024 . . 1237 254 254 GLU CB C 28.932 . . 1238 254 254 GLU N N 121.687 . . 1239 255 255 GLN H H 8.949 . . 1240 255 255 GLN C C 176.707 . . 1241 255 255 GLN CA C 57.720 . . 1242 255 255 GLN CB C 27.167 . . 1243 255 255 GLN N N 114.007 . . 1244 256 256 ARG H H 8.113 . . 1245 256 256 ARG C C 176.203 . . 1246 256 256 ARG CA C 56.892 . . 1247 256 256 ARG CB C 30.171 . . 1248 256 256 ARG N N 118.325 . . 1249 257 257 TYR H H 7.925 . . 1250 257 257 TYR C C 175.918 . . 1251 257 257 TYR CA C 57.188 . . 1252 257 257 TYR CB C 39.488 . . 1253 257 257 TYR N N 120.371 . . 1254 258 258 THR H H 9.335 . . 1255 258 258 THR C C 172.214 . . 1256 258 258 THR CA C 58.622 . . 1257 258 258 THR CB C 70.248 . . 1258 258 258 THR N N 112.825 . . 1259 259 259 CYS H H 8.662 . . 1260 259 259 CYS C C 171.952 . . 1261 259 259 CYS CA C 51.505 . . 1262 259 259 CYS CB C 41.389 . . 1263 259 259 CYS N N 123.364 . . 1264 260 260 HIS H H 9.168 . . 1265 260 260 HIS C C 174.762 . . 1266 260 260 HIS CA C 54.168 . . 1267 260 260 HIS CB C 30.177 . . 1268 260 260 HIS N N 128.543 . . 1269 261 261 VAL H H 8.499 . . 1270 261 261 VAL HG1 H 0.585 . . 1271 261 261 VAL HG2 H 0.653 . . 1272 261 261 VAL C C 174.076 . . 1273 261 261 VAL CA C 60.436 . . 1274 261 261 VAL CB C 33.448 . . 1275 261 261 VAL CG1 C 20.915 . . 1276 261 261 VAL CG2 C 19.912 . . 1277 261 261 VAL N N 124.890 . . 1278 262 262 GLN H H 8.460 . . 1279 262 262 GLN C C 173.680 . . 1280 262 262 GLN CA C 53.777 . . 1281 262 262 GLN CB C 30.998 . . 1282 262 262 GLN N N 124.745 . . 1283 263 263 HIS H H 8.012 . . 1284 263 263 HIS C C 174.895 . . 1285 263 263 HIS CA C 57.479 . . 1286 263 263 HIS CB C 35.594 . . 1287 263 263 HIS N N 123.005 . . 1288 264 264 GLU H H 8.262 . . 1289 264 264 GLU C C 177.061 . . 1290 264 264 GLU CA C 58.488 . . 1291 264 264 GLU CB C 29.207 . . 1292 264 264 GLU N N 127.430 . . 1293 265 265 GLY H H 10.853 . . 1294 265 265 GLY C C 173.288 . . 1295 265 265 GLY CA C 44.671 . . 1296 265 265 GLY N N 110.746 . . 1297 266 266 LEU H H 7.980 . . 1298 266 266 LEU HD1 H 0.939 . . 1299 266 266 LEU HD2 H 1.059 . . 1300 266 266 LEU CA C 50.856 . . 1301 266 266 LEU CB C 41.289 . . 1302 266 266 LEU CD1 C 26.300 . . 1303 266 266 LEU CD2 C 23.575 . . 1304 266 266 LEU N N 122.199 . . 1305 267 267 PRO C C 176.898 . . 1306 267 267 PRO CA C 64.064 . . 1307 267 267 PRO CB C 31.150 . . 1308 268 268 LYS H H 7.197 . . 1309 268 268 LYS CA C 52.677 . . 1310 268 268 LYS CB C 33.132 . . 1311 268 268 LYS N N 114.781 . . 1312 269 269 PRO C C 176.855 . . 1313 269 269 PRO CA C 62.891 . . 1314 269 269 PRO CB C 31.567 . . 1315 270 270 LEU H H 8.304 . . 1316 270 270 LEU HD1 H 0.923 . . 1317 270 270 LEU HD2 H 0.934 . . 1318 270 270 LEU C C 176.754 . . 1319 270 270 LEU CA C 53.574 . . 1320 270 270 LEU CB C 44.329 . . 1321 270 270 LEU CD1 C 23.755 . . 1322 270 270 LEU CD2 C 25.686 . . 1323 270 270 LEU N N 123.734 . . 1324 271 271 THR H H 8.347 . . 1325 271 271 THR C C 173.543 . . 1326 271 271 THR CA C 61.129 . . 1327 271 271 THR CB C 69.655 . . 1328 271 271 THR N N 118.446 . . 1329 272 272 LEU H H 9.445 . . 1330 272 272 LEU HD1 H 0.757 . . 1331 272 272 LEU HD2 H 0.810 . . 1332 272 272 LEU C C 174.690 . . 1333 272 272 LEU CA C 54.632 . . 1334 272 272 LEU CB C 44.265 . . 1335 272 272 LEU CD1 C 24.861 . . 1336 272 272 LEU CD2 C 25.088 . . 1337 272 272 LEU N N 128.469 . . 1338 273 273 ARG H H 8.326 . . 1339 273 273 ARG C C 174.738 . . 1340 273 273 ARG CA C 54.209 . . 1341 273 273 ARG CB C 33.724 . . 1342 273 273 ARG N N 120.777 . . 1343 274 274 TRP H H 9.923 . . 1344 274 274 TRP C C 174.877 . . 1345 274 274 TRP CA C 57.694 . . 1346 274 274 TRP CB C 29.210 . . 1347 274 274 TRP N N 126.823 . . 1348 275 275 GLU H H 7.430 . . 1349 275 275 GLU CA C 52.470 . . 1350 275 275 GLU CB C 29.736 . . 1351 275 275 GLU N N 127.202 . . stop_ save_