data_27249 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone amide and AILV methyl chemical shift assignments for H2-Dd, a murine class I major histocompatibility molecule heavy chain ; _BMRB_accession_number 27249 _BMRB_flat_file_name bmr27249.str _Entry_type original _Submission_date 2017-09-08 _Accession_date 2017-09-08 _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 Sgourakis Nikolaos G. . 2 McShan Andrew C. . 3 Natarajan Kannan . . 4 Kumirov Vlad K. . 5 Margulies David H. . 6 Nerli Santrupti . . 7 Badstuebner Mareike . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 332 "13C chemical shifts" 801 "15N chemical shifts" 233 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-02 update BMRB 'update entry citation' 2018-08-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27248 'methyl chemical shift assignments for Beta2-microglobulin, a human class I major histocompatibility molecule light chain' stop_ _Original_release_date 2017-09-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29988068 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McShan Andrew C. . 2 Natarajan Kannan . . 3 Kumirov Vlad K. . 4 Flores-Solis David . . 5 Jiang Jiansheng . . 6 Badstubner Mareike . . 7 Toor Jugmohit S. . 8 Bagshaw Clive R. . 9 Kovrigin Evgenii L. . 10 Margulies David H. . 11 Sgourakis Nikolaos G. . stop_ _Journal_abbreviation 'Nat. Chem. Biol.' _Journal_volume 14 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 811 _Page_last 820 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name pMHC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Antigen Peptide' $P18-I10 'Heavy Chain' $H2-Dd 'Light Chain' $Beta-2_microglobulin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'antigen presentation; cellular immunity' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_H2-Dd _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H2-Dd _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'antigen presentation' 'cellular immunity' 'class I major histocompatibility complex' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 277 _Mol_residue_sequence ; MSHSLRYFVTAVSRPGFGEP RYMEVGYVDNTEFVRFDSDA ENPRYEPRARWIEQEGPEYW ERETRRAKGNEQSFRVDLRT ALRYYNQSAGGSHTLQWMAG CDVESDGRLLRGYWQFAYDG CDYIALNEDLKTWTAADMAA QITRRKWEQAGAAERDRAYL EGECVEWLRRYLKNGNATLL RTDPPKAHVTHHRRPEGDVT LRCWALGFYPADITLTWQLN GEELTQEMELVETRPAGDGT FQKWASVVVPLGKEQKYTCH VEHEGLPEPLTLRWGKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 HIS 4 4 SER 5 5 LEU 6 6 ARG 7 7 TYR 8 8 PHE 9 9 VAL 10 10 THR 11 11 ALA 12 12 VAL 13 13 SER 14 14 ARG 15 15 PRO 16 16 GLY 17 17 PHE 18 18 GLY 19 19 GLU 20 20 PRO 21 21 ARG 22 22 TYR 23 23 MET 24 24 GLU 25 25 VAL 26 26 GLY 27 27 TYR 28 28 VAL 29 29 ASP 30 30 ASN 31 31 THR 32 32 GLU 33 33 PHE 34 34 VAL 35 35 ARG 36 36 PHE 37 37 ASP 38 38 SER 39 39 ASP 40 40 ALA 41 41 GLU 42 42 ASN 43 43 PRO 44 44 ARG 45 45 TYR 46 46 GLU 47 47 PRO 48 48 ARG 49 49 ALA 50 50 ARG 51 51 TRP 52 52 ILE 53 53 GLU 54 54 GLN 55 55 GLU 56 56 GLY 57 57 PRO 58 58 GLU 59 59 TYR 60 60 TRP 61 61 GLU 62 62 ARG 63 63 GLU 64 64 THR 65 65 ARG 66 66 ARG 67 67 ALA 68 68 LYS 69 69 GLY 70 70 ASN 71 71 GLU 72 72 GLN 73 73 SER 74 74 PHE 75 75 ARG 76 76 VAL 77 77 ASP 78 78 LEU 79 79 ARG 80 80 THR 81 81 ALA 82 82 LEU 83 83 ARG 84 84 TYR 85 85 TYR 86 86 ASN 87 87 GLN 88 88 SER 89 89 ALA 90 90 GLY 91 91 GLY 92 92 SER 93 93 HIS 94 94 THR 95 95 LEU 96 96 GLN 97 97 TRP 98 98 MET 99 99 ALA 100 100 GLY 101 101 CYS 102 102 ASP 103 103 VAL 104 104 GLU 105 105 SER 106 106 ASP 107 107 GLY 108 108 ARG 109 109 LEU 110 110 LEU 111 111 ARG 112 112 GLY 113 113 TYR 114 114 TRP 115 115 GLN 116 116 PHE 117 117 ALA 118 118 TYR 119 119 ASP 120 120 GLY 121 121 CYS 122 122 ASP 123 123 TYR 124 124 ILE 125 125 ALA 126 126 LEU 127 127 ASN 128 128 GLU 129 129 ASP 130 130 LEU 131 131 LYS 132 132 THR 133 133 TRP 134 134 THR 135 135 ALA 136 136 ALA 137 137 ASP 138 138 MET 139 139 ALA 140 140 ALA 141 141 GLN 142 142 ILE 143 143 THR 144 144 ARG 145 145 ARG 146 146 LYS 147 147 TRP 148 148 GLU 149 149 GLN 150 150 ALA 151 151 GLY 152 152 ALA 153 153 ALA 154 154 GLU 155 155 ARG 156 156 ASP 157 157 ARG 158 158 ALA 159 159 TYR 160 160 LEU 161 161 GLU 162 162 GLY 163 163 GLU 164 164 CYS 165 165 VAL 166 166 GLU 167 167 TRP 168 168 LEU 169 169 ARG 170 170 ARG 171 171 TYR 172 172 LEU 173 173 LYS 174 174 ASN 175 175 GLY 176 176 ASN 177 177 ALA 178 178 THR 179 179 LEU 180 180 LEU 181 181 ARG 182 182 THR 183 183 ASP 184 184 PRO 185 185 PRO 186 186 LYS 187 187 ALA 188 188 HIS 189 189 VAL 190 190 THR 191 191 HIS 192 192 HIS 193 193 ARG 194 194 ARG 195 195 PRO 196 196 GLU 197 197 GLY 198 198 ASP 199 199 VAL 200 200 THR 201 201 LEU 202 202 ARG 203 203 CYS 204 204 TRP 205 205 ALA 206 206 LEU 207 207 GLY 208 208 PHE 209 209 TYR 210 210 PRO 211 211 ALA 212 212 ASP 213 213 ILE 214 214 THR 215 215 LEU 216 216 THR 217 217 TRP 218 218 GLN 219 219 LEU 220 220 ASN 221 221 GLY 222 222 GLU 223 223 GLU 224 224 LEU 225 225 THR 226 226 GLN 227 227 GLU 228 228 MET 229 229 GLU 230 230 LEU 231 231 VAL 232 232 GLU 233 233 THR 234 234 ARG 235 235 PRO 236 236 ALA 237 237 GLY 238 238 ASP 239 239 GLY 240 240 THR 241 241 PHE 242 242 GLN 243 243 LYS 244 244 TRP 245 245 ALA 246 246 SER 247 247 VAL 248 248 VAL 249 249 VAL 250 250 PRO 251 251 LEU 252 252 GLY 253 253 LYS 254 254 GLU 255 255 GLN 256 256 LYS 257 257 TYR 258 258 THR 259 259 CYS 260 260 HIS 261 261 VAL 262 262 GLU 263 263 HIS 264 264 GLU 265 265 GLY 266 266 LEU 267 267 PRO 268 268 GLU 269 269 PRO 270 270 LEU 271 271 THR 272 272 LEU 273 273 ARG 274 274 TRP 275 275 GLY 276 276 LYS 277 277 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_Beta-2_microglobulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Beta-2_microglobulin _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_ save_P18-I10 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common P18-I10 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 10 _Mol_residue_sequence ; RGPGRAFVTI ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLY 3 PRO 4 GLY 5 ARG 6 ALA 7 PHE 8 VAL 9 THR 10 ILE 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 $H2-Dd Mouse 10090 Eukaryota Metazoa Mus musculus $Beta-2_microglobulin Human 9606 Eukaryota Metazoa Homo sapiens $P18-I10 HIV-1 11676 Viruses . Lentivirus HIV-1 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 $H2-Dd 'recombinant technology' . . . . pET-3a $Beta-2_microglobulin 'recombinant technology' . . . . pET-3a $P18-I10 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_triple_labeled_pMHC-I _Saveframe_category sample _Sample_type solution _Details ; labeled at the heavy chain light chain and peptide are natural abundance ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H2-Dd 1 mM '[U-13C; U-15N; U-2H]' $Beta-2_microglobulin 1 mM 'natural abundance' $P18-I10 1 mM 'natural abundance' stop_ save_ save_AILV_methyl_pMHC-I _Saveframe_category sample _Sample_type solution _Details 'Specifically labeled at Ala, Ile, Leu and Val methyls' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H2-Dd 1 mM '[U-15N; U-2H; U-13C; AILV]' $P18-I10 1 mM 'natural abundance' $Beta-2_microglobulin 1 mM 'natural abundance' stop_ save_ save_ILV*_pMHC-I _Saveframe_category sample _Sample_type solution _Details 'selectively 13C methyl labeled with sidechain and backbone carbons 13C labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H2-Dd 1 mM '[U-15N; U-2H; U-13C-all methyl carbons]' $P18-I10 1 mM 'natural abundance' $Beta-2_microglobulin 1 mM '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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'TCI cryoprobe' save_ save_600_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $triple_labeled_pMHC-I save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $triple_labeled_pMHC-I save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $triple_labeled_pMHC-I save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $triple_labeled_pMHC-I save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $AILV_methyl_pMHC-I save_ save_3D_Hm-CmHm_SOFAST_NOESY_HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Hm-CmHm SOFAST NOESY HMQC' _Sample_label $AILV_methyl_pMHC-I save_ save_2D_1H-13C_SOFAST_HMQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C SOFAST HMQC' _Sample_label $AILV_methyl_pMHC-I save_ save_3D_Cm-CmHm_SOFAST_HMQC_NOESY_HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cm-CmHm SOFAST HMQC NOESY HMQC' _Sample_label $AILV_methyl_pMHC-I save_ save_3D_Hn-CmHm_SOFAST_NOESY_HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Hn-CmHm SOFAST NOESY HMQC' _Sample_label $AILV_methyl_pMHC-I save_ save_3D_Cm-NHn_SOFAST_HMQC_NOESY_HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cm-NHn SOFAST HMQC NOESY HMQC' _Sample_label $AILV_methyl_pMHC-I save_ save_3D_HMCM[CG]CBCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCM[CG]CBCA' _Sample_label $ILV*_pMHC-I 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' 100 . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N TROSY-HSQC' '3D HNCA' '3D HNCO' '3D HN(CA)CB' '3D 1H-15N NOESY' '3D Hm-CmHm SOFAST NOESY HMQC' '2D 1H-13C SOFAST HMQC' '3D Cm-CmHm SOFAST HMQC NOESY HMQC' '3D Hn-CmHm SOFAST NOESY HMQC' '3D Cm-NHn SOFAST HMQC NOESY HMQC' '3D HMCM[CG]CBCA' stop_ loop_ _Sample_label $triple_labeled_pMHC-I $AILV_methyl_pMHC-I $ILV*_pMHC-I stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Antigen Peptide' _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 2 SER CB C 63.481 . . 2 3 3 HIS H H 8.540 . . 3 3 3 HIS C C 174.009 . . 4 3 3 HIS CA C 54.718 . . 5 3 3 HIS CB C 33.353 . . 6 3 3 HIS N N 116.709 . . 7 4 4 SER H H 9.469 . . 8 4 4 SER C C 172.664 . . 9 4 4 SER CA C 56.732 . . 10 4 4 SER CB C 66.888 . . 11 4 4 SER N N 115.016 . . 12 5 5 LEU H H 8.855 . . 13 5 5 LEU HD1 H 1.267 . . 14 5 5 LEU HD2 H 1.051 . . 15 5 5 LEU C C 175.759 . . 16 5 5 LEU CA C 53.647 . . 17 5 5 LEU CB C 44.586 . . 18 5 5 LEU CG C 26.759 . . 19 5 5 LEU CD1 C 24.093 . . 20 5 5 LEU CD2 C 25.804 . . 21 5 5 LEU N N 126.053 . . 22 6 6 ARG H H 9.128 . . 23 6 6 ARG CA C 54.069 . . 24 6 6 ARG CB C 35.722 . . 25 6 6 ARG N N 125.550 . . 26 8 8 PHE C C 175.882 . . 27 8 8 PHE CA C 56.144 . . 28 8 8 PHE CB C 39.404 . . 29 9 9 VAL H H 9.969 . . 30 9 9 VAL HG1 H 0.885 . . 31 9 9 VAL HG2 H 0.994 . . 32 9 9 VAL C C 174.579 . . 33 9 9 VAL CA C 61.426 . . 34 9 9 VAL CB C 34.553 . . 35 9 9 VAL CG1 C 19.842 . . 36 9 9 VAL CG2 C 22.582 . . 37 9 9 VAL N N 129.255 . . 38 10 10 THR H H 8.582 . . 39 10 10 THR C C 171.562 . . 40 10 10 THR CA C 62.323 . . 41 10 10 THR CB C 71.174 . . 42 10 10 THR N N 123.895 . . 43 11 11 ALA H H 9.170 . . 44 11 11 ALA HB H 1.607 . . 45 11 11 ALA C C 175.928 . . 46 11 11 ALA CA C 49.792 . . 47 11 11 ALA CB C 22.518 . . 48 11 11 ALA N N 128.987 . . 49 12 12 VAL H H 9.006 . . 50 12 12 VAL HG1 H 0.857 . . 51 12 12 VAL HG2 H 0.821 . . 52 12 12 VAL C C 176.977 . . 53 12 12 VAL CA C 59.533 . . 54 12 12 VAL CB C 34.571 . . 55 12 12 VAL CG1 C 20.641 . . 56 12 12 VAL CG2 C 20.977 . . 57 12 12 VAL N N 122.865 . . 58 13 13 SER H H 9.516 . . 59 13 13 SER C C 173.500 . . 60 13 13 SER CA C 57.040 . . 61 13 13 SER CB C 64.654 . . 62 13 13 SER N N 122.496 . . 63 14 14 ARG H H 9.563 . . 64 14 14 ARG CA C 52.723 . . 65 14 14 ARG CB C 29.702 . . 66 14 14 ARG N N 120.529 . . 67 16 16 GLY C C 174.195 . . 68 16 16 GLY CA C 44.774 . . 69 17 17 PHE H H 8.380 . . 70 17 17 PHE C C 175.482 . . 71 17 17 PHE CA C 57.570 . . 72 17 17 PHE CB C 39.568 . . 73 17 17 PHE N N 120.439 . . 74 18 18 GLY H H 7.943 . . 75 18 18 GLY C C 173.865 . . 76 18 18 GLY CA C 44.657 . . 77 18 18 GLY N N 107.755 . . 78 19 19 GLU H H 8.426 . . 79 19 19 GLU CA C 54.415 . . 80 19 19 GLU CB C 27.567 . . 81 19 19 GLU N N 122.263 . . 82 20 20 PRO C C 177.066 . . 83 20 20 PRO CA C 63.402 . . 84 21 21 ARG H H 8.834 . . 85 21 21 ARG C C 174.237 . . 86 21 21 ARG CA C 55.884 . . 87 21 21 ARG CB C 30.732 . . 88 21 21 ARG N N 127.168 . . 89 22 22 TYR H H 9.159 . . 90 22 22 TYR C C 173.401 . . 91 22 22 TYR CA C 57.679 . . 92 22 22 TYR CB C 42.369 . . 93 22 22 TYR N N 130.255 . . 94 23 23 MET H H 8.349 . . 95 23 23 MET C C 174.403 . . 96 23 23 MET CA C 53.266 . . 97 23 23 MET CB C 37.611 . . 98 23 23 MET N N 125.317 . . 99 24 24 GLU H H 8.738 . . 100 24 24 GLU C C 175.242 . . 101 24 24 GLU CA C 54.788 . . 102 24 24 GLU CB C 33.328 . . 103 24 24 GLU N N 116.376 . . 104 25 25 VAL H H 8.744 . . 105 25 25 VAL HG1 H 1.105 . . 106 25 25 VAL HG2 H 0.902 . . 107 25 25 VAL C C 174.737 . . 108 25 25 VAL CA C 61.102 . . 109 25 25 VAL CB C 34.301 . . 110 25 25 VAL CG1 C 22.199 . . 111 25 25 VAL CG2 C 21.048 . . 112 25 25 VAL N N 121.402 . . 113 26 26 GLY H H 8.229 . . 114 26 26 GLY CA C 43.963 . . 115 26 26 GLY N N 113.535 . . 116 28 28 VAL HG1 H 0.817 . . 117 28 28 VAL HG2 H 0.674 . . 118 28 28 VAL CG1 C 22.129 . . 119 28 28 VAL CG2 C 22.766 . . 120 32 32 GLU C C 176.300 . . 121 33 33 PHE H H 8.994 . . 122 33 33 PHE C C 173.712 . . 123 33 33 PHE CA C 56.586 . . 124 33 33 PHE CB C 42.628 . . 125 33 33 PHE N N 122.259 . . 126 34 34 VAL H H 6.741 . . 127 34 34 VAL HG1 H 0.142 . . 128 34 34 VAL CA C 59.600 . . 129 34 34 VAL CB C 36.846 . . 130 34 34 VAL CG1 C 16.551 . . 131 34 34 VAL N N 117.517 . . 132 36 36 PHE C C 173.518 . . 133 36 36 PHE CA C 56.742 . . 134 37 37 ASP H H 7.746 . . 135 37 37 ASP C C 175.812 . . 136 37 37 ASP CA C 52.342 . . 137 37 37 ASP CB C 43.119 . . 138 37 37 ASP N N 128.654 . . 139 38 38 SER H H 9.370 . . 140 38 38 SER C C 175.058 . . 141 38 38 SER CA C 60.704 . . 142 38 38 SER CB C 62.943 . . 143 38 38 SER N N 123.139 . . 144 39 39 ASP H H 8.481 . . 145 39 39 ASP C C 176.538 . . 146 39 39 ASP CA C 53.659 . . 147 39 39 ASP CB C 39.466 . . 148 39 39 ASP N N 123.173 . . 149 40 40 ALA H H 7.371 . . 150 40 40 ALA HB H 1.309 . . 151 40 40 ALA C C 176.512 . . 152 40 40 ALA CA C 51.459 . . 153 40 40 ALA CB C 19.197 . . 154 40 40 ALA N N 124.203 . . 155 41 41 GLU H H 8.351 . . 156 41 41 GLU C C 177.259 . . 157 41 41 GLU CA C 58.494 . . 158 41 41 GLU CB C 28.720 . . 159 41 41 GLU N N 121.148 . . 160 42 42 ASN H H 8.189 . . 161 42 42 ASN CA C 50.389 . . 162 42 42 ASN CB C 38.220 . . 163 42 42 ASN N N 115.965 . . 164 43 43 PRO C C 175.543 . . 165 43 43 PRO CA C 65.303 . . 166 43 43 PRO CB C 31.610 . . 167 44 44 ARG H H 8.016 . . 168 44 44 ARG C C 175.505 . . 169 44 44 ARG CA C 54.021 . . 170 44 44 ARG CB C 31.805 . . 171 44 44 ARG N N 122.802 . . 172 45 45 TYR H H 8.860 . . 173 45 45 TYR C C 175.947 . . 174 45 45 TYR CA C 61.521 . . 175 45 45 TYR CB C 38.434 . . 176 45 45 TYR N N 125.393 . . 177 46 46 GLU H H 8.844 . . 178 46 46 GLU CA C 52.406 . . 179 46 46 GLU CB C 31.898 . . 180 46 46 GLU N N 122.719 . . 181 49 49 ALA HB H 1.436 . . 182 52 52 ILE HD1 H 0.707 . . 183 52 52 ILE C C 175.972 . . 184 52 52 ILE CA C 57.148 . . 185 52 52 ILE CB C 39.113 . . 186 52 52 ILE CG1 C 27.383 . . 187 52 52 ILE CD1 C 12.905 . . 188 53 53 GLU H H 7.424 . . 189 53 53 GLU C C 176.696 . . 190 53 53 GLU CA C 58.435 . . 191 53 53 GLU CB C 28.771 . . 192 53 53 GLU N N 121.461 . . 193 54 54 GLN H H 7.292 . . 194 54 54 GLN C C 177.336 . . 195 54 54 GLN CA C 56.146 . . 196 54 54 GLN CB C 28.783 . . 197 54 54 GLN N N 113.506 . . 198 55 55 GLU H H 7.711 . . 199 55 55 GLU C C 178.118 . . 200 55 55 GLU CA C 56.613 . . 201 55 55 GLU CB C 28.546 . . 202 55 55 GLU N N 121.236 . . 203 56 56 GLY H H 8.641 . . 204 56 56 GLY CA C 44.746 . . 205 56 56 GLY N N 109.485 . . 206 57 57 PRO C C 179.017 . . 207 58 58 GLU H H 9.155 . . 208 58 58 GLU C C 178.751 . . 209 58 58 GLU CA C 58.974 . . 210 58 58 GLU CB C 27.705 . . 211 58 58 GLU N N 118.172 . . 212 59 59 TYR H H 7.781 . . 213 59 59 TYR C C 176.547 . . 214 59 59 TYR CA C 60.902 . . 215 59 59 TYR CB C 38.198 . . 216 59 59 TYR N N 123.865 . . 217 60 60 TRP H H 6.667 . . 218 60 60 TRP C C 179.662 . . 219 60 60 TRP CA C 58.079 . . 220 60 60 TRP CB C 28.686 . . 221 60 60 TRP N N 120.571 . . 222 61 61 GLU H H 8.540 . . 223 61 61 GLU C C 178.800 . . 224 61 61 GLU CA C 59.107 . . 225 61 61 GLU CB C 28.899 . . 226 61 61 GLU N N 121.990 . . 227 62 62 ARG H H 7.992 . . 228 62 62 ARG C C 180.051 . . 229 62 62 ARG CA C 59.209 . . 230 62 62 ARG CB C 28.942 . . 231 62 62 ARG N N 120.908 . . 232 63 63 GLU H H 8.236 . . 233 63 63 GLU C C 178.235 . . 234 63 63 GLU CA C 57.257 . . 235 63 63 GLU CB C 27.819 . . 236 63 63 GLU N N 120.036 . . 237 64 64 THR H H 8.229 . . 238 64 64 THR C C 175.285 . . 239 64 64 THR CA C 43.391 . . 240 64 64 THR N N 118.219 . . 241 65 65 ARG H H 8.051 . . 242 65 65 ARG C C 179.546 . . 243 65 65 ARG CA C 59.474 . . 244 65 65 ARG CB C 29.117 . . 245 65 65 ARG N N 121.066 . . 246 66 66 ARG H H 7.978 . . 247 66 66 ARG C C 178.308 . . 248 66 66 ARG CA C 58.798 . . 249 66 66 ARG CB C 28.679 . . 250 66 66 ARG N N 123.337 . . 251 67 67 ALA H H 8.192 . . 252 67 67 ALA HB H 0.723 . . 253 67 67 ALA C C 179.373 . . 254 67 67 ALA CA C 54.544 . . 255 67 67 ALA CB C 16.012 . . 256 67 67 ALA N N 123.441 . . 257 68 68 LYS H H 8.117 . . 258 68 68 LYS C C 180.783 . . 259 68 68 LYS CA C 58.557 . . 260 68 68 LYS CB C 31.312 . . 261 68 68 LYS N N 116.361 . . 262 69 69 GLY H H 7.992 . . 263 69 69 GLY C C 176.917 . . 264 69 69 GLY CA C 46.398 . . 265 69 69 GLY N N 109.909 . . 266 70 70 ASN H H 8.567 . . 267 70 70 ASN C C 177.523 . . 268 70 70 ASN CA C 55.432 . . 269 70 70 ASN CB C 37.280 . . 270 70 70 ASN N N 125.442 . . 271 71 71 GLU H H 8.845 . . 272 71 71 GLU C C 178.828 . . 273 71 71 GLU CA C 59.096 . . 274 71 71 GLU CB C 29.116 . . 275 71 71 GLU N N 124.675 . . 276 72 72 GLN H H 7.132 . . 277 72 72 GLN C C 179.361 . . 278 72 72 GLN CA C 58.384 . . 279 72 72 GLN CB C 27.346 . . 280 72 72 GLN N N 115.791 . . 281 73 73 SER H H 7.603 . . 282 73 73 SER C C 174.909 . . 283 73 73 SER CA C 62.613 . . 284 73 73 SER CB C 61.898 . . 285 73 73 SER N N 117.183 . . 286 74 74 PHE H H 8.533 . . 287 74 74 PHE C C 178.205 . . 288 74 74 PHE CA C 61.918 . . 289 74 74 PHE CB C 38.421 . . 290 74 74 PHE N N 119.799 . . 291 75 75 ARG H H 7.996 . . 292 75 75 ARG C C 179.988 . . 293 75 75 ARG CA C 60.101 . . 294 75 75 ARG CB C 29.692 . . 295 75 75 ARG N N 118.943 . . 296 76 76 VAL H H 7.130 . . 297 76 76 VAL HG1 H 0.938 . . 298 76 76 VAL HG2 H -0.828 . . 299 76 76 VAL C C 178.712 . . 300 76 76 VAL CA C 65.754 . . 301 76 76 VAL CB C 30.749 . . 302 76 76 VAL CG1 C 15.909 . . 303 76 76 VAL CG2 C 20.223 . . 304 76 76 VAL N N 120.519 . . 305 77 77 ASP H H 8.555 . . 306 77 77 ASP C C 178.437 . . 307 77 77 ASP CA C 57.374 . . 308 77 77 ASP CB C 41.302 . . 309 77 77 ASP N N 122.810 . . 310 78 78 LEU H H 8.269 . . 311 78 78 LEU HD1 H 1.127 . . 312 78 78 LEU HD2 H 0.993 . . 313 78 78 LEU C C 180.126 . . 314 78 78 LEU CA C 57.972 . . 315 78 78 LEU CB C 41.568 . . 316 78 78 LEU CG C 26.780 . . 317 78 78 LEU CD1 C 23.524 . . 318 78 78 LEU CD2 C 26.657 . . 319 78 78 LEU N N 118.915 . . 320 79 79 ARG H H 7.076 . . 321 79 79 ARG C C 179.401 . . 322 79 79 ARG CA C 58.969 . . 323 79 79 ARG CB C 29.093 . . 324 79 79 ARG N N 119.028 . . 325 80 80 THR H H 8.583 . . 326 80 80 THR C C 175.554 . . 327 80 80 THR CA C 65.507 . . 328 80 80 THR CB C 67.418 . . 329 80 80 THR N N 120.761 . . 330 81 81 ALA H H 8.461 . . 331 81 81 ALA HB H 0.645 . . 332 81 81 ALA C C 178.403 . . 333 81 81 ALA CA C 55.121 . . 334 81 81 ALA CB C 15.849 . . 335 81 81 ALA N N 123.702 . . 336 82 82 LEU H H 6.754 . . 337 82 82 LEU HD1 H 0.901 . . 338 82 82 LEU HD2 H 0.677 . . 339 82 82 LEU C C 180.178 . . 340 82 82 LEU CA C 57.574 . . 341 82 82 LEU CB C 40.958 . . 342 82 82 LEU CG C 24.832 . . 343 82 82 LEU CD1 C 26.059 . . 344 82 82 LEU CD2 C 23.166 . . 345 82 82 LEU N N 113.423 . . 346 83 83 ARG H H 6.901 . . 347 83 83 ARG C C 180.478 . . 348 83 83 ARG CA C 57.958 . . 349 83 83 ARG CB C 28.746 . . 350 83 83 ARG N N 117.183 . . 351 84 84 TYR H H 8.321 . . 352 84 84 TYR C C 178.883 . . 353 84 84 TYR CA C 56.587 . . 354 84 84 TYR CB C 36.342 . . 355 84 84 TYR N N 120.513 . . 356 85 85 TYR H H 7.911 . . 357 85 85 TYR C C 174.876 . . 358 85 85 TYR CA C 58.827 . . 359 85 85 TYR CB C 37.156 . . 360 85 85 TYR N N 113.537 . . 361 86 86 ASN H H 7.775 . . 362 86 86 ASN C C 174.794 . . 363 86 86 ASN CA C 54.027 . . 364 86 86 ASN CB C 36.700 . . 365 86 86 ASN N N 120.805 . . 366 87 87 GLN H H 8.724 . . 367 87 87 GLN C C 176.170 . . 368 87 87 GLN CA C 54.008 . . 369 87 87 GLN CB C 30.356 . . 370 87 87 GLN N N 118.199 . . 371 88 88 SER H H 8.374 . . 372 88 88 SER CA C 57.456 . . 373 88 88 SER N N 115.548 . . 374 89 89 ALA HB H 1.453 . . 375 90 90 GLY C C 174.443 . . 376 91 91 GLY H H 7.609 . . 377 91 91 GLY C C 172.288 . . 378 91 91 GLY CA C 43.380 . . 379 91 91 GLY N N 108.230 . . 380 92 92 SER H H 7.994 . . 381 92 92 SER C C 174.542 . . 382 92 92 SER CA C 56.660 . . 383 92 92 SER CB C 63.168 . . 384 92 92 SER N N 115.181 . . 385 93 93 HIS H H 8.430 . . 386 93 93 HIS C C 172.731 . . 387 93 93 HIS CA C 54.419 . . 388 93 93 HIS CB C 32.921 . . 389 93 93 HIS N N 125.536 . . 390 94 94 THR H H 8.478 . . 391 94 94 THR C C 174.009 . . 392 94 94 THR CA C 61.298 . . 393 94 94 THR CB C 71.094 . . 394 94 94 THR N N 114.346 . . 395 95 95 LEU H H 9.877 . . 396 95 95 LEU HD1 H 0.183 . . 397 95 95 LEU HD2 H 0.359 . . 398 95 95 LEU C C 175.189 . . 399 95 95 LEU CA C 53.735 . . 400 95 95 LEU CB C 45.989 . . 401 95 95 LEU CD1 C 21.686 . . 402 95 95 LEU CD2 C 25.332 . . 403 95 95 LEU N N 130.613 . . 404 96 96 GLN H H 9.045 . . 405 96 96 GLN C C 174.336 . . 406 96 96 GLN CA C 53.124 . . 407 96 96 GLN CB C 37.085 . . 408 96 96 GLN N N 122.011 . . 409 97 97 TRP H H 9.802 . . 410 97 97 TRP C C 173.226 . . 411 97 97 TRP CA C 52.951 . . 412 97 97 TRP CB C 34.157 . . 413 97 97 TRP N N 124.253 . . 414 98 98 MET H H 9.187 . . 415 98 98 MET C C 173.585 . . 416 98 98 MET CA C 54.117 . . 417 98 98 MET CB C 35.848 . . 418 98 98 MET N N 128.777 . . 419 99 99 ALA H H 7.966 . . 420 99 99 ALA HB H 1.512 . . 421 99 99 ALA C C 176.441 . . 422 99 99 ALA CA C 48.972 . . 423 99 99 ALA CB C 22.365 . . 424 99 99 ALA N N 125.471 . . 425 100 100 GLY H H 8.584 . . 426 100 100 GLY C C 170.621 . . 427 100 100 GLY CA C 45.561 . . 428 100 100 GLY N N 105.514 . . 429 101 101 CYS H H 9.168 . . 430 101 101 CYS C C 171.704 . . 431 101 101 CYS CA C 53.321 . . 432 101 101 CYS CB C 46.133 . . 433 101 101 CYS N N 113.263 . . 434 102 102 ASP H H 8.851 . . 435 102 102 ASP C C 176.121 . . 436 102 102 ASP CA C 52.031 . . 437 102 102 ASP CB C 41.934 . . 438 102 102 ASP N N 122.650 . . 439 103 103 VAL H H 9.243 . . 440 103 103 VAL HG1 H 0.948 . . 441 103 103 VAL HG2 H 0.849 . . 442 103 103 VAL C C 175.462 . . 443 103 103 VAL CA C 59.817 . . 444 103 103 VAL CB C 35.218 . . 445 103 103 VAL CG1 C 21.201 . . 446 103 103 VAL CG2 C 22.112 . . 447 103 103 VAL N N 121.122 . . 448 104 104 GLU H H 8.800 . . 449 104 104 GLU CA C 54.984 . . 450 104 104 GLU CB C 30.436 . . 451 104 104 GLU N N 125.233 . . 452 105 105 SER C C 174.510 . . 453 105 105 SER CA C 61.220 . . 454 106 106 ASP H H 7.742 . . 455 106 106 ASP C C 177.138 . . 456 106 106 ASP CA C 53.136 . . 457 106 106 ASP CB C 39.648 . . 458 106 106 ASP N N 118.931 . . 459 107 107 GLY H H 8.201 . . 460 107 107 GLY C C 173.607 . . 461 107 107 GLY CA C 44.547 . . 462 107 107 GLY N N 108.752 . . 463 108 108 ARG H H 7.592 . . 464 108 108 ARG C C 175.848 . . 465 108 108 ARG CA C 55.938 . . 466 108 108 ARG CB C 30.234 . . 467 108 108 ARG N N 120.702 . . 468 109 109 LEU H H 8.547 . . 469 109 109 LEU HD1 H 0.901 . . 470 109 109 LEU HD2 H 0.844 . . 471 109 109 LEU C C 176.176 . . 472 109 109 LEU CA C 55.857 . . 473 109 109 LEU CB C 41.010 . . 474 109 109 LEU CG C 25.920 . . 475 109 109 LEU CD1 C 23.985 . . 476 109 109 LEU CD2 C 27.198 . . 477 109 109 LEU N N 124.955 . . 478 110 110 LEU H H 9.240 . . 479 110 110 LEU HD1 H 0.851 . . 480 110 110 LEU HD2 H 0.835 . . 481 110 110 LEU C C 177.260 . . 482 110 110 LEU CA C 55.675 . . 483 110 110 LEU CB C 42.548 . . 484 110 110 LEU CG C 26.017 . . 485 110 110 LEU CD1 C 23.259 . . 486 110 110 LEU CD2 C 24.689 . . 487 110 110 LEU N N 130.268 . . 488 111 111 ARG H H 7.292 . . 489 111 111 ARG C C 173.793 . . 490 111 111 ARG CA C 55.171 . . 491 111 111 ARG CB C 32.933 . . 492 111 111 ARG N N 116.392 . . 493 112 112 GLY H H 8.487 . . 494 112 112 GLY C C 170.187 . . 495 112 112 GLY CA C 43.240 . . 496 112 112 GLY N N 110.827 . . 497 113 113 TYR H H 8.911 . . 498 113 113 TYR C C 175.407 . . 499 113 113 TYR CA C 56.455 . . 500 113 113 TYR CB C 41.443 . . 501 113 113 TYR N N 119.524 . . 502 114 114 TRP H H 10.057 . . 503 114 114 TRP C C 174.617 . . 504 114 114 TRP CA C 59.136 . . 505 114 114 TRP CB C 28.002 . . 506 114 114 TRP N N 125.130 . . 507 115 115 GLN H H 9.420 . . 508 115 115 GLN C C 174.616 . . 509 115 115 GLN CA C 54.692 . . 510 115 115 GLN CB C 32.563 . . 511 115 115 GLN N N 122.289 . . 512 116 116 PHE H H 9.835 . . 513 116 116 PHE C C 175.973 . . 514 116 116 PHE CA C 56.936 . . 515 116 116 PHE CB C 44.367 . . 516 116 116 PHE N N 119.485 . . 517 117 117 ALA H H 8.691 . . 518 117 117 ALA C C 175.362 . . 519 117 117 ALA CA C 50.876 . . 520 117 117 ALA CB C 19.561 . . 521 117 117 ALA N N 125.732 . . 522 118 118 TYR H H 8.668 . . 523 118 118 TYR C C 174.997 . . 524 118 118 TYR CA C 55.167 . . 525 118 118 TYR CB C 40.282 . . 526 118 118 TYR N N 122.271 . . 527 119 119 ASP H H 9.626 . . 528 119 119 ASP C C 173.593 . . 529 119 119 ASP CA C 55.144 . . 530 119 119 ASP CB C 38.775 . . 531 119 119 ASP N N 130.478 . . 532 120 120 GLY H H 8.994 . . 533 120 120 GLY C C 172.643 . . 534 120 120 GLY CA C 43.541 . . 535 120 120 GLY N N 132.855 . . 536 121 121 CYS H H 7.317 . . 537 121 121 CYS C C 173.249 . . 538 121 121 CYS CA C 52.392 . . 539 121 121 CYS CB C 41.666 . . 540 121 121 CYS N N 117.531 . . 541 122 122 ASP H H 8.747 . . 542 122 122 ASP C C 173.817 . . 543 122 122 ASP CA C 57.113 . . 544 122 122 ASP CB C 41.074 . . 545 122 122 ASP N N 123.052 . . 546 123 123 TYR H H 8.803 . . 547 123 123 TYR C C 171.850 . . 548 123 123 TYR CA C 59.641 . . 549 123 123 TYR CB C 40.789 . . 550 123 123 TYR N N 123.638 . . 551 124 124 ILE H H 7.346 . . 552 124 124 ILE HD1 H 0.103 . . 553 124 124 ILE C C 172.340 . . 554 124 124 ILE CA C 59.167 . . 555 124 124 ILE CB C 41.637 . . 556 124 124 ILE CG1 C 28.798 . . 557 124 124 ILE CD1 C 13.122 . . 558 124 124 ILE N N 115.209 . . 559 125 125 ALA H H 8.692 . . 560 125 125 ALA HB H 1.851 . . 561 125 125 ALA C C 175.684 . . 562 125 125 ALA CA C 51.550 . . 563 125 125 ALA CB C 23.354 . . 564 125 125 ALA N N 128.460 . . 565 126 126 LEU H H 8.921 . . 566 126 126 LEU HD1 H -0.531 . . 567 126 126 LEU HD2 H 0.422 . . 568 126 126 LEU C C 177.067 . . 569 126 126 LEU CA C 54.669 . . 570 126 126 LEU CB C 42.537 . . 571 126 126 LEU CG C 25.316 . . 572 126 126 LEU CD1 C 19.723 . . 573 126 126 LEU CD2 C 26.921 . . 574 126 126 LEU N N 126.899 . . 575 127 127 ASN H H 9.000 . . 576 127 127 ASN C C 175.823 . . 577 127 127 ASN CA C 52.827 . . 578 127 127 ASN CB C 37.878 . . 579 127 127 ASN N N 127.447 . . 580 128 128 GLU H H 8.845 . . 581 128 128 GLU C C 176.366 . . 582 128 128 GLU CA C 58.713 . . 583 128 128 GLU CB C 28.545 . . 584 128 128 GLU N N 119.501 . . 585 129 129 ASP H H 7.391 . . 586 129 129 ASP C C 175.606 . . 587 129 129 ASP CA C 54.043 . . 588 129 129 ASP CB C 39.341 . . 589 129 129 ASP N N 116.612 . . 590 130 130 LEU H H 8.496 . . 591 130 130 LEU HD1 H 0.775 . . 592 130 130 LEU HD2 H 0.862 . . 593 130 130 LEU C C 174.698 . . 594 130 130 LEU CA C 55.362 . . 595 130 130 LEU CB C 38.084 . . 596 130 130 LEU CG C 25.441 . . 597 130 130 LEU CD1 C 22.407 . . 598 130 130 LEU CD2 C 26.443 . . 599 130 130 LEU N N 115.965 . . 600 131 131 LYS H H 8.408 . . 601 131 131 LYS C C 175.360 . . 602 131 131 LYS CA C 56.360 . . 603 131 131 LYS CB C 36.495 . . 604 131 131 LYS N N 114.492 . . 605 132 132 THR H H 8.370 . . 606 132 132 THR C C 172.050 . . 607 132 132 THR CA C 59.195 . . 608 132 132 THR CB C 72.420 . . 609 132 132 THR N N 112.967 . . 610 133 133 TRP H H 8.658 . . 611 133 133 TRP C C 177.736 . . 612 133 133 TRP CA C 55.223 . . 613 133 133 TRP CB C 32.315 . . 614 133 133 TRP N N 119.931 . . 615 134 134 THR H H 9.748 . . 616 134 134 THR C C 173.680 . . 617 134 134 THR CA C 62.757 . . 618 134 134 THR CB C 69.466 . . 619 134 134 THR N N 120.451 . . 620 135 135 ALA H H 8.946 . . 621 135 135 ALA HB H 1.075 . . 622 135 135 ALA C C 176.407 . . 623 135 135 ALA CA C 49.714 . . 624 135 135 ALA CB C 19.752 . . 625 135 135 ALA N N 132.758 . . 626 136 136 ALA H H 8.272 . . 627 136 136 ALA HB H 1.366 . . 628 136 136 ALA C C 176.835 . . 629 136 136 ALA CA C 54.009 . . 630 136 136 ALA CB C 19.893 . . 631 136 136 ALA N N 125.458 . . 632 137 137 ASP H H 7.194 . . 633 137 137 ASP C C 175.950 . . 634 137 137 ASP CA C 52.134 . . 635 137 137 ASP CB C 41.337 . . 636 137 137 ASP N N 115.142 . . 637 138 138 MET H H 8.041 . . 638 138 138 MET C C 178.508 . . 639 138 138 MET CA C 57.906 . . 640 138 138 MET CB C 31.277 . . 641 138 138 MET N N 116.014 . . 642 139 139 ALA H H 7.669 . . 643 139 139 ALA HB H 0.941 . . 644 139 139 ALA C C 178.140 . . 645 139 139 ALA CA C 54.204 . . 646 139 139 ALA CB C 17.003 . . 647 139 139 ALA N N 125.858 . . 648 140 140 ALA H H 8.113 . . 649 140 140 ALA HB H 0.474 . . 650 140 140 ALA C C 179.751 . . 651 140 140 ALA CA C 53.584 . . 652 140 140 ALA CB C 18.813 . . 653 140 140 ALA N N 118.285 . . 654 141 141 GLN H H 7.471 . . 655 141 141 GLN C C 179.004 . . 656 141 141 GLN CA C 58.127 . . 657 141 141 GLN CB C 26.633 . . 658 141 141 GLN N N 117.051 . . 659 142 142 ILE H H 7.494 . . 660 142 142 ILE HD1 H 0.279 . . 661 142 142 ILE C C 179.632 . . 662 142 142 ILE CA C 64.959 . . 663 142 142 ILE CB C 36.041 . . 664 142 142 ILE CG1 C 26.728 . . 665 142 142 ILE CD1 C 12.584 . . 666 142 142 ILE N N 123.677 . . 667 143 143 THR H H 6.767 . . 668 143 143 THR C C 174.090 . . 669 143 143 THR CA C 65.964 . . 670 143 143 THR CB C 67.100 . . 671 143 143 THR N N 118.263 . . 672 144 144 ARG H H 8.481 . . 673 144 144 ARG C C 176.883 . . 674 144 144 ARG CA C 59.892 . . 675 144 144 ARG CB C 29.155 . . 676 144 144 ARG N N 120.676 . . 677 145 145 ARG H H 7.486 . . 678 145 145 ARG C C 179.187 . . 679 145 145 ARG CA C 59.111 . . 680 145 145 ARG CB C 29.027 . . 681 145 145 ARG N N 118.186 . . 682 146 146 LYS H H 7.616 . . 683 146 146 LYS C C 180.040 . . 684 146 146 LYS CA C 59.345 . . 685 146 146 LYS CB C 31.536 . . 686 146 146 LYS N N 120.371 . . 687 147 147 TRP H H 9.207 . . 688 147 147 TRP C C 181.453 . . 689 147 147 TRP CA C 58.418 . . 690 147 147 TRP CB C 27.167 . . 691 147 147 TRP N N 122.727 . . 692 148 148 GLU H H 9.279 . . 693 148 148 GLU C C 179.804 . . 694 148 148 GLU CA C 59.886 . . 695 148 148 GLU CB C 28.818 . . 696 148 148 GLU N N 126.684 . . 697 149 149 GLN H H 8.005 . . 698 149 149 GLN C C 177.807 . . 699 149 149 GLN CA C 58.491 . . 700 149 149 GLN CB C 27.600 . . 701 149 149 GLN N N 120.626 . . 702 150 150 ALA H H 7.887 . . 703 150 150 ALA HB H 1.510 . . 704 150 150 ALA C C 178.006 . . 705 150 150 ALA CA C 51.852 . . 706 150 150 ALA CB C 18.645 . . 707 150 150 ALA N N 117.760 . . 708 151 151 GLY H H 7.684 . . 709 151 151 GLY C C 176.409 . . 710 151 151 GLY CA C 46.233 . . 711 151 151 GLY N N 108.132 . . 712 152 152 ALA H H 7.866 . . 713 152 152 ALA HB H 1.105 . . 714 152 152 ALA C C 177.954 . . 715 152 152 ALA CA C 54.831 . . 716 152 152 ALA CB C 17.563 . . 717 152 152 ALA N N 121.041 . . 718 153 153 ALA H H 9.447 . . 719 153 153 ALA HB H 1.118 . . 720 153 153 ALA C C 178.223 . . 721 153 153 ALA CA C 55.249 . . 722 153 153 ALA CB C 16.942 . . 723 153 153 ALA N N 117.934 . . 724 154 154 GLU H H 7.628 . . 725 154 154 GLU CA C 59.244 . . 726 154 154 GLU N N 116.326 . . 727 157 157 ARG C C 176.898 . . 728 157 157 ARG CA C 59.504 . . 729 157 157 ARG CB C 28.780 . . 730 158 158 ALA H H 7.224 . . 731 158 158 ALA HB H 1.595 . . 732 158 158 ALA C C 182.295 . . 733 158 158 ALA CA C 54.537 . . 734 158 158 ALA CB C 16.987 . . 735 158 158 ALA N N 119.540 . . 736 159 159 TYR H H 7.353 . . 737 159 159 TYR C C 176.098 . . 738 159 159 TYR CA C 61.234 . . 739 159 159 TYR CB C 37.318 . . 740 159 159 TYR N N 119.157 . . 741 160 160 LEU H H 7.836 . . 742 160 160 LEU HD1 H 1.639 . . 743 160 160 LEU HD2 H 0.977 . . 744 160 160 LEU C C 175.965 . . 745 160 160 LEU CA C 57.747 . . 746 160 160 LEU CB C 42.286 . . 747 160 160 LEU CD1 C 23.431 . . 748 160 160 LEU CD2 C 27.160 . . 749 160 160 LEU N N 120.751 . . 750 161 161 GLU H H 8.366 . . 751 161 161 GLU C C 177.079 . . 752 161 161 GLU CA C 56.225 . . 753 161 161 GLU CB C 30.396 . . 754 161 161 GLU N N 108.902 . . 755 162 162 GLY H H 7.266 . . 756 162 162 GLY C C 173.126 . . 757 162 162 GLY CA C 45.459 . . 758 162 162 GLY N N 108.727 . . 759 163 163 GLU H H 8.163 . . 760 163 163 GLU C C 176.866 . . 761 163 163 GLU CA C 60.029 . . 762 163 163 GLU CB C 30.775 . . 763 163 163 GLU N N 129.873 . . 764 164 164 CYS H H 8.792 . . 765 164 164 CYS C C 175.126 . . 766 164 164 CYS CA C 61.083 . . 767 164 164 CYS CB C 40.790 . . 768 164 164 CYS N N 117.236 . . 769 165 165 VAL H H 6.114 . . 770 165 165 VAL HG1 H 0.948 . . 771 165 165 VAL HG2 H 1.133 . . 772 165 165 VAL C C 178.081 . . 773 165 165 VAL CA C 65.478 . . 774 165 165 VAL CB C 31.745 . . 775 165 165 VAL CG1 C 21.688 . . 776 165 165 VAL CG2 C 23.152 . . 777 165 165 VAL N N 116.584 . . 778 166 166 GLU H H 8.128 . . 779 166 166 GLU C C 180.226 . . 780 166 166 GLU CA C 58.620 . . 781 166 166 GLU CB C 29.014 . . 782 166 166 GLU N N 119.572 . . 783 167 167 TRP H H 8.732 . . 784 167 167 TRP C C 176.254 . . 785 167 167 TRP CA C 61.044 . . 786 167 167 TRP CB C 26.139 . . 787 167 167 TRP N N 119.675 . . 788 168 168 LEU H H 8.186 . . 789 168 168 LEU HD1 H 1.049 . . 790 168 168 LEU HD2 H 0.972 . . 791 168 168 LEU C C 178.054 . . 792 168 168 LEU CA C 58.552 . . 793 168 168 LEU CB C 39.180 . . 794 168 168 LEU CD1 C 23.259 . . 795 168 168 LEU CD2 C 26.951 . . 796 168 168 LEU N N 121.105 . . 797 169 169 ARG H H 7.627 . . 798 169 169 ARG C C 179.102 . . 799 169 169 ARG CA C 59.634 . . 800 169 169 ARG CB C 29.075 . . 801 169 169 ARG N N 115.826 . . 802 170 170 ARG H H 7.019 . . 803 170 170 ARG C C 178.215 . . 804 170 170 ARG CA C 58.703 . . 805 170 170 ARG CB C 28.886 . . 806 170 170 ARG N N 121.414 . . 807 171 171 TYR H H 8.708 . . 808 171 171 TYR C C 178.309 . . 809 171 171 TYR CA C 57.551 . . 810 171 171 TYR CB C 36.486 . . 811 171 171 TYR N N 120.974 . . 812 172 172 LEU H H 8.330 . . 813 172 172 LEU HD1 H 1.449 . . 814 172 172 LEU HD2 H 1.675 . . 815 172 172 LEU C C 178.932 . . 816 172 172 LEU CA C 56.993 . . 817 172 172 LEU CB C 40.576 . . 818 172 172 LEU CD1 C 24.486 . . 819 172 172 LEU CD2 C 27.181 . . 820 172 172 LEU N N 117.861 . . 821 173 173 LYS H H 7.113 . . 822 173 173 LYS C C 179.400 . . 823 173 173 LYS CA C 58.253 . . 824 173 173 LYS CB C 31.166 . . 825 173 173 LYS N N 118.016 . . 826 174 174 ASN H H 8.470 . . 827 174 174 ASN C C 177.704 . . 828 174 174 ASN CA C 54.771 . . 829 174 174 ASN CB C 36.961 . . 830 174 174 ASN N N 119.389 . . 831 175 175 GLY H H 8.531 . . 832 175 175 GLY C C 174.327 . . 833 175 175 GLY CA C 44.034 . . 834 175 175 GLY N N 108.860 . . 835 176 176 ASN H H 6.895 . . 836 176 176 ASN CA C 57.825 . . 837 176 176 ASN CB C 39.585 . . 838 176 176 ASN N N 120.722 . . 839 177 177 ALA HB H 1.092 . . 840 178 178 THR C C 176.062 . . 841 179 179 LEU H H 8.143 . . 842 179 179 LEU C C 178.756 . . 843 179 179 LEU CA C 56.592 . . 844 179 179 LEU CB C 41.966 . . 845 179 179 LEU N N 121.558 . . 846 180 180 LEU H H 7.624 . . 847 180 180 LEU HD1 H 0.701 . . 848 180 180 LEU HD2 H 0.797 . . 849 180 180 LEU C C 176.132 . . 850 180 180 LEU CA C 53.839 . . 851 180 180 LEU CB C 39.047 . . 852 180 180 LEU CD1 C 23.404 . . 853 180 180 LEU CD2 C 25.183 . . 854 180 180 LEU N N 118.465 . . 855 181 181 ARG H H 6.744 . . 856 181 181 ARG C C 174.636 . . 857 181 181 ARG CA C 55.283 . . 858 181 181 ARG CB C 29.782 . . 859 181 181 ARG N N 120.429 . . 860 182 182 THR H H 8.248 . . 861 182 182 THR C C 173.612 . . 862 182 182 THR CA C 59.904 . . 863 182 182 THR CB C 71.175 . . 864 182 182 THR N N 113.010 . . 865 183 183 ASP H H 9.704 . . 866 183 183 ASP CA C 50.933 . . 867 183 183 ASP CB C 42.549 . . 868 183 183 ASP N N 126.836 . . 869 185 185 PRO C C 176.102 . . 870 185 185 PRO CA C 61.756 . . 871 186 186 LYS H H 8.893 . . 872 186 186 LYS C C 176.469 . . 873 186 186 LYS CA C 55.645 . . 874 186 186 LYS CB C 31.112 . . 875 186 186 LYS N N 123.048 . . 876 187 187 ALA H H 8.817 . . 877 187 187 ALA HB H 1.267 . . 878 187 187 ALA C C 176.100 . . 879 187 187 ALA CA C 50.267 . . 880 187 187 ALA CB C 23.461 . . 881 187 187 ALA N N 130.878 . . 882 188 188 HIS H H 8.346 . . 883 188 188 HIS C C 172.177 . . 884 188 188 HIS CA C 55.998 . . 885 188 188 HIS CB C 32.363 . . 886 188 188 HIS N N 117.552 . . 887 189 189 VAL H H 8.647 . . 888 189 189 VAL HG1 H 1.427 . . 889 189 189 VAL HG2 H 1.051 . . 890 189 189 VAL C C 176.505 . . 891 189 189 VAL CA C 60.164 . . 892 189 189 VAL CB C 34.455 . . 893 189 189 VAL CG1 C 23.523 . . 894 189 189 VAL CG2 C 23.097 . . 895 189 189 VAL N N 120.703 . . 896 190 190 THR H H 9.841 . . 897 190 190 THR C C 171.619 . . 898 190 190 THR CA C 60.413 . . 899 190 190 THR CB C 69.786 . . 900 190 190 THR N N 119.161 . . 901 191 191 HIS H H 7.649 . . 902 191 191 HIS C C 174.136 . . 903 191 191 HIS CA C 55.178 . . 904 191 191 HIS CB C 33.450 . . 905 191 191 HIS N N 123.175 . . 906 192 192 HIS H H 8.029 . . 907 192 192 HIS C C 174.465 . . 908 192 192 HIS CA C 53.332 . . 909 192 192 HIS CB C 29.929 . . 910 192 192 HIS N N 123.956 . . 911 193 193 ARG H H 8.858 . . 912 193 193 ARG C C 176.504 . . 913 193 193 ARG CA C 56.620 . . 914 193 193 ARG N N 126.632 . . 915 194 194 ARG H H 8.535 . . 916 194 194 ARG CA C 54.519 . . 917 194 194 ARG CB C 28.992 . . 918 194 194 ARG N N 126.495 . . 919 195 195 PRO C C 178.113 . . 920 195 195 PRO CA C 64.682 . . 921 195 195 PRO CB C 30.867 . . 922 196 196 GLU H H 9.157 . . 923 196 196 GLU C C 177.628 . . 924 196 196 GLU CA C 58.585 . . 925 196 196 GLU CB C 28.294 . . 926 196 196 GLU N N 116.581 . . 927 197 197 GLY H H 7.917 . . 928 197 197 GLY C C 173.323 . . 929 197 197 GLY CA C 44.653 . . 930 197 197 GLY N N 106.750 . . 931 198 198 ASP H H 7.719 . . 932 198 198 ASP C C 174.153 . . 933 198 198 ASP CA C 52.132 . . 934 198 198 ASP CB C 39.915 . . 935 198 198 ASP N N 120.684 . . 936 199 199 VAL H H 8.537 . . 937 199 199 VAL HG1 H -0.140 . . 938 199 199 VAL HG2 H 0.493 . . 939 199 199 VAL C C 174.358 . . 940 199 199 VAL CA C 60.678 . . 941 199 199 VAL CB C 35.270 . . 942 199 199 VAL CG1 C 19.863 . . 943 199 199 VAL CG2 C 21.458 . . 944 199 199 VAL N N 118.102 . . 945 200 200 THR H H 8.757 . . 946 200 200 THR C C 174.172 . . 947 200 200 THR CA C 61.490 . . 948 200 200 THR CB C 69.245 . . 949 200 200 THR N N 123.442 . . 950 201 201 LEU H H 8.609 . . 951 201 201 LEU HD1 H 0.437 . . 952 201 201 LEU HD2 H 0.562 . . 953 201 201 LEU C C 175.165 . . 954 201 201 LEU CA C 52.181 . . 955 201 201 LEU CB C 42.875 . . 956 201 201 LEU CG C 25.157 . . 957 201 201 LEU CD1 C 23.851 . . 958 201 201 LEU CD2 C 26.751 . . 959 201 201 LEU N N 127.688 . . 960 202 202 ARG H H 8.863 . . 961 202 202 ARG C C 172.582 . . 962 202 202 ARG CA C 54.839 . . 963 202 202 ARG CB C 31.587 . . 964 202 202 ARG N N 124.345 . . 965 203 203 CYS H H 9.655 . . 966 203 203 CYS C C 172.165 . . 967 203 203 CYS CA C 52.953 . . 968 203 203 CYS CB C 40.807 . . 969 203 203 CYS N N 128.872 . . 970 204 204 TRP H H 9.342 . . 971 204 204 TRP C C 174.738 . . 972 204 204 TRP CA C 56.399 . . 973 204 204 TRP CB C 31.216 . . 974 204 204 TRP N N 127.514 . . 975 205 205 ALA H H 8.967 . . 976 205 205 ALA HB H 1.151 . . 977 205 205 ALA CA C 50.645 . . 978 205 205 ALA CB C 21.723 . . 979 205 205 ALA N N 119.951 . . 980 206 206 LEU HD1 H 0.710 . . 981 206 206 LEU HD2 H 0.845 . . 982 206 206 LEU C C 177.962 . . 983 206 206 LEU CA C 54.236 . . 984 206 206 LEU CB C 44.968 . . 985 206 206 LEU CG C 26.420 . . 986 206 206 LEU CD1 C 26.710 . . 987 206 206 LEU CD2 C 23.277 . . 988 207 207 GLY H H 7.895 . . 989 207 207 GLY C C 173.607 . . 990 207 207 GLY CA C 46.638 . . 991 207 207 GLY N N 109.503 . . 992 208 208 PHE H H 7.361 . . 993 208 208 PHE C C 174.743 . . 994 208 208 PHE CA C 53.814 . . 995 208 208 PHE CB C 40.644 . . 996 208 208 PHE N N 112.477 . . 997 209 209 TYR H H 9.133 . . 998 209 209 TYR CA C 57.954 . . 999 209 209 TYR CB C 41.958 . . 1000 209 209 TYR N N 120.327 . . 1001 210 210 PRO C C 175.703 . . 1002 210 210 PRO CA C 62.012 . . 1003 210 210 PRO CB C 33.978 . . 1004 211 211 ALA H H 7.839 . . 1005 211 211 ALA HB H 0.138 . . 1006 211 211 ALA C C 177.580 . . 1007 211 211 ALA CA C 54.379 . . 1008 211 211 ALA CB C 17.047 . . 1009 211 211 ALA N N 118.445 . . 1010 212 212 ASP H H 7.125 . . 1011 212 212 ASP C C 173.542 . . 1012 212 212 ASP CA C 55.206 . . 1013 212 212 ASP CB C 40.061 . . 1014 212 212 ASP N N 116.112 . . 1015 213 213 ILE H H 7.535 . . 1016 213 213 ILE HD1 H -0.568 . . 1017 213 213 ILE C C 172.793 . . 1018 213 213 ILE CA C 60.218 . . 1019 213 213 ILE CB C 39.516 . . 1020 213 213 ILE CG1 C 27.819 . . 1021 213 213 ILE CD1 C 13.172 . . 1022 213 213 ILE N N 122.056 . . 1023 214 214 THR H H 8.208 . . 1024 214 214 THR C C 172.070 . . 1025 214 214 THR CA C 61.750 . . 1026 214 214 THR CB C 69.974 . . 1027 214 214 THR N N 121.840 . . 1028 215 215 LEU H H 8.385 . . 1029 215 215 LEU HD1 H 0.682 . . 1030 215 215 LEU HD2 H 0.676 . . 1031 215 215 LEU C C 175.078 . . 1032 215 215 LEU CA C 53.382 . . 1033 215 215 LEU CB C 44.492 . . 1034 215 215 LEU CG C 26.879 . . 1035 215 215 LEU CD1 C 25.556 . . 1036 215 215 LEU CD2 C 26.025 . . 1037 215 215 LEU N N 129.453 . . 1038 216 216 THR H H 8.475 . . 1039 216 216 THR C C 172.569 . . 1040 216 216 THR CA C 60.144 . . 1041 216 216 THR CB C 71.513 . . 1042 216 216 THR N N 115.426 . . 1043 217 217 TRP H H 7.697 . . 1044 217 217 TRP C C 175.585 . . 1045 217 217 TRP CA C 56.383 . . 1046 217 217 TRP CB C 32.770 . . 1047 217 217 TRP N N 123.173 . . 1048 218 218 GLN H H 9.906 . . 1049 218 218 GLN C C 174.681 . . 1050 218 218 GLN CA C 54.033 . . 1051 218 218 GLN CB C 32.439 . . 1052 218 218 GLN N N 119.819 . . 1053 219 219 LEU H H 8.364 . . 1054 219 219 LEU HD1 H 0.102 . . 1055 219 219 LEU HD2 H 0.762 . . 1056 219 219 LEU CA C 53.736 . . 1057 219 219 LEU CB C 43.345 . . 1058 219 219 LEU CG C 26.364 . . 1059 219 219 LEU CD1 C 22.053 . . 1060 219 219 LEU CD2 C 25.110 . . 1061 219 219 LEU N N 120.754 . . 1062 220 220 ASN C C 175.299 . . 1063 220 220 ASN CA C 54.010 . . 1064 221 221 GLY H H 8.558 . . 1065 221 221 GLY C C 173.370 . . 1066 221 221 GLY CA C 45.058 . . 1067 221 221 GLY N N 104.473 . . 1068 222 222 GLU H H 7.607 . . 1069 222 222 GLU C C 175.615 . . 1070 222 222 GLU CA C 54.087 . . 1071 222 222 GLU CB C 30.956 . . 1072 222 222 GLU N N 120.329 . . 1073 223 223 GLU H H 8.652 . . 1074 223 223 GLU C C 177.396 . . 1075 223 223 GLU CA C 56.767 . . 1076 223 223 GLU CB C 29.764 . . 1077 223 223 GLU N N 123.066 . . 1078 224 224 LEU H H 8.586 . . 1079 224 224 LEU HD1 H 0.940 . . 1080 224 224 LEU HD2 H 1.093 . . 1081 224 224 LEU C C 177.407 . . 1082 224 224 LEU CA C 53.804 . . 1083 224 224 LEU CB C 40.301 . . 1084 224 224 LEU CG C 25.794 . . 1085 224 224 LEU CD1 C 23.153 . . 1086 224 224 LEU CD2 C 26.649 . . 1087 224 224 LEU N N 126.682 . . 1088 225 225 THR H H 7.953 . . 1089 225 225 THR C C 175.951 . . 1090 225 225 THR CA C 64.175 . . 1091 225 225 THR CB C 68.800 . . 1092 225 225 THR N N 114.217 . . 1093 226 226 GLN H H 8.417 . . 1094 226 226 GLN C C 175.944 . . 1095 226 226 GLN CA C 56.406 . . 1096 226 226 GLN CB C 28.731 . . 1097 226 226 GLN N N 119.243 . . 1098 227 227 GLU H H 8.357 . . 1099 227 227 GLU C C 176.148 . . 1100 227 227 GLU CA C 56.343 . . 1101 227 227 GLU CB C 29.835 . . 1102 227 227 GLU N N 118.207 . . 1103 228 228 MET H H 7.661 . . 1104 228 228 MET C C 175.657 . . 1105 228 228 MET CA C 55.138 . . 1106 228 228 MET CB C 35.218 . . 1107 228 228 MET N N 120.451 . . 1108 229 229 GLU H H 8.892 . . 1109 229 229 GLU C C 174.646 . . 1110 229 229 GLU CA C 55.262 . . 1111 229 229 GLU CB C 30.541 . . 1112 229 229 GLU N N 124.851 . . 1113 230 230 LEU H H 8.544 . . 1114 230 230 LEU HD1 H 0.975 . . 1115 230 230 LEU HD2 H 1.001 . . 1116 230 230 LEU C C 176.655 . . 1117 230 230 LEU CA C 53.860 . . 1118 230 230 LEU CB C 44.680 . . 1119 230 230 LEU CG C 26.301 . . 1120 230 230 LEU CD1 C 25.485 . . 1121 230 230 LEU CD2 C 26.178 . . 1122 230 230 LEU N N 125.193 . . 1123 231 231 VAL H H 6.476 . . 1124 231 231 VAL HG1 H -0.247 . . 1125 231 231 VAL HG2 H -0.074 . . 1126 231 231 VAL C C 175.728 . . 1127 231 231 VAL CA C 58.603 . . 1128 231 231 VAL CB C 32.032 . . 1129 231 231 VAL CG1 C 21.248 . . 1130 231 231 VAL CG2 C 17.093 . . 1131 231 231 VAL N N 114.936 . . 1132 232 232 GLU H H 8.289 . . 1133 232 232 GLU C C 175.681 . . 1134 232 232 GLU CA C 56.162 . . 1135 232 232 GLU CB C 28.974 . . 1136 232 232 GLU N N 123.538 . . 1137 233 233 THR H H 8.551 . . 1138 233 233 THR C C 173.869 . . 1139 233 233 THR CA C 64.430 . . 1140 233 233 THR CB C 68.140 . . 1141 233 233 THR N N 121.230 . . 1142 234 234 ARG H H 8.823 . . 1143 234 234 ARG CA C 51.447 . . 1144 234 234 ARG CB C 30.331 . . 1145 234 234 ARG N N 126.289 . . 1146 236 236 ALA HB H 1.304 . . 1147 237 237 GLY C C 175.780 . . 1148 238 238 ASP H H 7.362 . . 1149 238 238 ASP C C 176.477 . . 1150 238 238 ASP CA C 52.862 . . 1151 238 238 ASP CB C 39.258 . . 1152 238 238 ASP N N 116.455 . . 1153 239 239 GLY H H 7.499 . . 1154 239 239 GLY C C 173.790 . . 1155 239 239 GLY CA C 44.922 . . 1156 239 239 GLY N N 107.660 . . 1157 240 240 THR H H 7.082 . . 1158 240 240 THR C C 173.150 . . 1159 240 240 THR CA C 60.123 . . 1160 240 240 THR CB C 71.069 . . 1161 240 240 THR N N 108.450 . . 1162 241 241 PHE H H 8.302 . . 1163 241 241 PHE C C 174.071 . . 1164 241 241 PHE CA C 56.767 . . 1165 241 241 PHE CB C 42.997 . . 1166 241 241 PHE N N 116.335 . . 1167 242 242 GLN H H 8.535 . . 1168 242 242 GLN C C 174.341 . . 1169 242 242 GLN CA C 53.724 . . 1170 242 242 GLN CB C 33.418 . . 1171 242 242 GLN N N 115.227 . . 1172 243 243 LYS H H 9.414 . . 1173 243 243 LYS C C 171.933 . . 1174 243 243 LYS CA C 56.486 . . 1175 243 243 LYS CB C 38.296 . . 1176 243 243 LYS N N 123.264 . . 1177 244 244 TRP H H 6.195 . . 1178 244 244 TRP C C 174.104 . . 1179 244 244 TRP CA C 54.936 . . 1180 244 244 TRP CB C 33.599 . . 1181 244 244 TRP N N 116.620 . . 1182 245 245 ALA H H 8.754 . . 1183 245 245 ALA HB H 1.575 . . 1184 245 245 ALA C C 178.234 . . 1185 245 245 ALA CA C 50.711 . . 1186 245 245 ALA CB C 23.630 . . 1187 245 245 ALA N N 119.217 . . 1188 246 246 SER H H 10.910 . . 1189 246 246 SER C C 171.819 . . 1190 246 246 SER CA C 56.599 . . 1191 246 246 SER CB C 67.314 . . 1192 246 246 SER N N 124.966 . . 1193 247 247 VAL H H 7.995 . . 1194 247 247 VAL HG1 H 0.183 . . 1195 247 247 VAL HG2 H -0.367 . . 1196 247 247 VAL C C 172.655 . . 1197 247 247 VAL CA C 59.317 . . 1198 247 247 VAL CB C 34.729 . . 1199 247 247 VAL CG1 C 21.686 . . 1200 247 247 VAL CG2 C 17.733 . . 1201 247 247 VAL N N 114.229 . . 1202 248 248 VAL H H 7.827 . . 1203 248 248 VAL HG1 H 0.708 . . 1204 248 248 VAL HG2 H 0.535 . . 1205 248 248 VAL C C 176.460 . . 1206 248 248 VAL CA C 60.770 . . 1207 248 248 VAL CB C 31.149 . . 1208 248 248 VAL CG1 C 21.281 . . 1209 248 248 VAL CG2 C 21.417 . . 1210 248 248 VAL N N 123.699 . . 1211 249 249 VAL H H 9.332 . . 1212 249 249 VAL HG1 H -0.534 . . 1213 249 249 VAL HG2 H 0.206 . . 1214 249 249 VAL CA C 56.378 . . 1215 249 249 VAL CB C 32.283 . . 1216 249 249 VAL CG1 C 19.800 . . 1217 249 249 VAL CG2 C 18.545 . . 1218 249 249 VAL N N 123.727 . . 1219 250 250 PRO C C 177.502 . . 1220 250 250 PRO CA C 61.342 . . 1221 250 250 PRO CB C 31.005 . . 1222 251 251 LEU H H 8.339 . . 1223 251 251 LEU HD1 H 0.912 . . 1224 251 251 LEU HD2 H 0.889 . . 1225 251 251 LEU C C 178.572 . . 1226 251 251 LEU CA C 56.385 . . 1227 251 251 LEU CB C 41.176 . . 1228 251 251 LEU CG C 25.907 . . 1229 251 251 LEU CD1 C 24.234 . . 1230 251 251 LEU CD2 C 25.433 . . 1231 251 251 LEU N N 124.490 . . 1232 252 252 GLY H H 8.908 . . 1233 252 252 GLY CA C 45.209 . . 1234 252 252 GLY N N 117.456 . . 1235 253 253 LYS C C 177.328 . . 1236 253 253 LYS CA C 54.544 . . 1237 253 253 LYS CB C 32.714 . . 1238 254 254 GLU H H 10.824 . . 1239 254 254 GLU C C 178.996 . . 1240 254 254 GLU CA C 61.223 . . 1241 254 254 GLU CB C 29.413 . . 1242 254 254 GLU N N 121.021 . . 1243 255 255 GLN H H 8.947 . . 1244 255 255 GLN C C 176.412 . . 1245 255 255 GLN CA C 57.757 . . 1246 255 255 GLN CB C 27.320 . . 1247 255 255 GLN N N 114.285 . . 1248 256 256 LYS H H 7.982 . . 1249 256 256 LYS C C 175.960 . . 1250 256 256 LYS CA C 56.404 . . 1251 256 256 LYS CB C 31.061 . . 1252 256 256 LYS N N 117.449 . . 1253 257 257 TYR H H 7.604 . . 1254 257 257 TYR C C 176.085 . . 1255 257 257 TYR CA C 57.605 . . 1256 257 257 TYR CB C 39.655 . . 1257 257 257 TYR N N 120.669 . . 1258 258 258 THR H H 9.202 . . 1259 258 258 THR C C 172.359 . . 1260 258 258 THR CA C 58.983 . . 1261 258 258 THR CB C 70.154 . . 1262 258 258 THR N N 113.270 . . 1263 259 259 CYS H H 8.929 . . 1264 259 259 CYS C C 171.948 . . 1265 259 259 CYS CA C 51.517 . . 1266 259 259 CYS CB C 39.978 . . 1267 259 259 CYS N N 124.714 . . 1268 260 260 HIS H H 8.983 . . 1269 260 260 HIS C C 174.295 . . 1270 260 260 HIS CA C 54.063 . . 1271 260 260 HIS CB C 30.123 . . 1272 260 260 HIS N N 128.735 . . 1273 261 261 VAL H H 8.361 . . 1274 261 261 VAL HG1 H 0.586 . . 1275 261 261 VAL HG2 H 0.551 . . 1276 261 261 VAL C C 174.356 . . 1277 261 261 VAL CA C 60.136 . . 1278 261 261 VAL CB C 33.364 . . 1279 261 261 VAL CG1 C 21.635 . . 1280 261 261 VAL CG2 C 20.110 . . 1281 261 261 VAL N N 124.936 . . 1282 262 262 GLU H H 8.478 . . 1283 262 262 GLU C C 174.395 . . 1284 262 262 GLU CA C 54.170 . . 1285 262 262 GLU CB C 31.586 . . 1286 262 262 GLU N N 124.657 . . 1287 263 263 HIS H H 8.148 . . 1288 263 263 HIS C C 175.127 . . 1289 263 263 HIS CA C 57.489 . . 1290 263 263 HIS CB C 35.685 . . 1291 263 263 HIS N N 122.518 . . 1292 264 264 GLU H H 8.267 . . 1293 264 264 GLU C C 177.002 . . 1294 264 264 GLU CA C 58.303 . . 1295 264 264 GLU CB C 29.399 . . 1296 264 264 GLU N N 127.194 . . 1297 265 265 GLY H H 10.688 . . 1298 265 265 GLY C C 173.290 . . 1299 265 265 GLY CA C 44.551 . . 1300 265 265 GLY N N 111.013 . . 1301 266 266 LEU H H 7.946 . . 1302 266 266 LEU HD1 H 1.080 . . 1303 266 266 LEU HD2 H 0.950 . . 1304 266 266 LEU CA C 51.011 . . 1305 266 266 LEU CB C 41.571 . . 1306 266 266 LEU CG C 26.030 . . 1307 266 266 LEU CD1 C 23.363 . . 1308 266 266 LEU CD2 C 26.430 . . 1309 266 266 LEU N N 122.148 . . 1310 267 267 PRO C C 176.702 . . 1311 267 267 PRO CA C 63.996 . . 1312 268 268 GLU H H 7.133 . . 1313 268 268 GLU CA C 52.747 . . 1314 268 268 GLU CB C 30.346 . . 1315 268 268 GLU N N 114.312 . . 1316 269 269 PRO C C 177.039 . . 1317 269 269 PRO CA C 62.853 . . 1318 269 269 PRO CB C 31.748 . . 1319 270 270 LEU H H 8.425 . . 1320 270 270 LEU HD1 H 0.937 . . 1321 270 270 LEU HD2 H 0.890 . . 1322 270 270 LEU C C 176.934 . . 1323 270 270 LEU CA C 53.626 . . 1324 270 270 LEU CB C 43.589 . . 1325 270 270 LEU CG C 26.295 . . 1326 270 270 LEU CD1 C 23.184 . . 1327 270 270 LEU CD2 C 24.886 . . 1328 270 270 LEU N N 123.149 . . 1329 271 271 THR H H 8.307 . . 1330 271 271 THR C C 173.811 . . 1331 271 271 THR CA C 60.997 . . 1332 271 271 THR CB C 69.580 . . 1333 271 271 THR N N 118.194 . . 1334 272 272 LEU H H 9.335 . . 1335 272 272 LEU HD1 H 0.807 . . 1336 272 272 LEU HD2 H 0.716 . . 1337 272 272 LEU C C 174.764 . . 1338 272 272 LEU CA C 54.013 . . 1339 272 272 LEU CB C 44.541 . . 1340 272 272 LEU CG C 27.151 . . 1341 272 272 LEU CD1 C 25.271 . . 1342 272 272 LEU CD2 C 26.695 . . 1343 272 272 LEU N N 127.616 . . 1344 273 273 ARG H H 8.285 . . 1345 273 273 ARG C C 175.463 . . 1346 273 273 ARG CA C 54.144 . . 1347 273 273 ARG CB C 34.191 . . 1348 273 273 ARG N N 118.786 . . 1349 274 274 TRP H H 10.294 . . 1350 274 274 TRP C C 175.789 . . 1351 274 274 TRP CA C 57.883 . . 1352 274 274 TRP CB C 29.290 . . 1353 274 274 TRP N N 126.369 . . 1354 275 275 GLY H H 7.286 . . 1355 275 275 GLY C C 172.933 . . 1356 275 275 GLY CA C 44.404 . . 1357 275 275 GLY N N 114.143 . . 1358 276 276 LYS H H 7.450 . . 1359 276 276 LYS C C 175.346 . . 1360 276 276 LYS CA C 55.405 . . 1361 276 276 LYS CB C 32.682 . . 1362 276 276 LYS N N 120.786 . . 1363 277 277 GLU H H 7.987 . . 1364 277 277 GLU CA C 57.848 . . 1365 277 277 GLU CB C 30.180 . . 1366 277 277 GLU N N 128.408 . . stop_ save_