data_27285 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for VSV8 peptide bound to MHC H-2Kb (VSV8/Kb) ; _BMRB_accession_number 27285 _BMRB_flat_file_name bmr27285.str _Entry_type original _Submission_date 2017-10-18 _Accession_date 2017-10-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of extracellular domain of H-2Kb heavy subunit within VSV8/H-2Kb/b2m heterotrimeric complex.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Arthanari Haribabu . . 3 Lang Matt J. . 4 Reinherz Ellis L. . 5 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 196 "13C chemical shifts" 296 "15N chemical shifts" 196 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2017-12-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27286 'VSV8 peptide bound to a truncated MHC H-2Kb (VSV8/Kb-t)' stop_ _Original_release_date 2017-10-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR-Directed Design of PreTCRbeta and pMHC Molecules Implies a Distinct Geometry for preTCR Relative to alphabetaTCR Recognition of pMHC ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29101227 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Arthanari Haribabu . . 3 Lang Matt J. . 4 Reinherz Ellis L. . 5 Wagner Gerhard . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 293 _Journal_issue 3 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 754 _Page_last 766 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'H-2Kb heavy subunit within VSV8/H-2Kb/b2m heterotrimeric complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label H-2Kb $H-2Kb VSV8 $VSV8 b2m $b2m stop_ _System_molecular_weight 44122 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Presents self or heterologous peptides on cell surface for immune surveillance.' stop_ _Database_query_date . _Details 'Peptide Major Histocompatibility Complex Molecule' save_ ######################## # Monomeric polymers # ######################## save_H-2Kb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H-2Kb _Molecular_mass 32348.20 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Peptide binding subunit of immunological peptide presentation complex.' 'subunit of immunological peptide presentation complex' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 281 _Mol_residue_sequence ; MGPHSLRYFVTAVSRPGLGE PRYMEVGYVDDTEFVRFDSD AENPRYEPRARWMEQEGPEY WERETQKAKGNEQSFRVDLR TLLGYYNQSKGGSHTIQVIS GCEVGSDGRLLRGYQQYAYD GCDYIALNEDLKTWTAADMA ALITKHKWEQAGEAERLRAY LEGTCVEWLRRYLKNGNATL LRTDSPKAHVTHHSRPEDKV TLRCWALGFYPADITLTWQL NGEELIQDMELVETRPAGDG TFQKWASVVVPLGKEQYYTC HVYHQGLPEPLTLRWEPPPS T ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLY 3 2 PRO 4 3 HIS 5 4 SER 6 5 LEU 7 6 ARG 8 7 TYR 9 8 PHE 10 9 VAL 11 10 THR 12 11 ALA 13 12 VAL 14 13 SER 15 14 ARG 16 15 PRO 17 16 GLY 18 17 LEU 19 18 GLY 20 19 GLU 21 20 PRO 22 21 ARG 23 22 TYR 24 23 MET 25 24 GLU 26 25 VAL 27 26 GLY 28 27 TYR 29 28 VAL 30 29 ASP 31 30 ASP 32 31 THR 33 32 GLU 34 33 PHE 35 34 VAL 36 35 ARG 37 36 PHE 38 37 ASP 39 38 SER 40 39 ASP 41 40 ALA 42 41 GLU 43 42 ASN 44 43 PRO 45 44 ARG 46 45 TYR 47 46 GLU 48 47 PRO 49 48 ARG 50 49 ALA 51 50 ARG 52 51 TRP 53 52 MET 54 53 GLU 55 54 GLN 56 55 GLU 57 56 GLY 58 57 PRO 59 58 GLU 60 59 TYR 61 60 TRP 62 61 GLU 63 62 ARG 64 63 GLU 65 64 THR 66 65 GLN 67 66 LYS 68 67 ALA 69 68 LYS 70 69 GLY 71 70 ASN 72 71 GLU 73 72 GLN 74 73 SER 75 74 PHE 76 75 ARG 77 76 VAL 78 77 ASP 79 78 LEU 80 79 ARG 81 80 THR 82 81 LEU 83 82 LEU 84 83 GLY 85 84 TYR 86 85 TYR 87 86 ASN 88 87 GLN 89 88 SER 90 89 LYS 91 90 GLY 92 91 GLY 93 92 SER 94 93 HIS 95 94 THR 96 95 ILE 97 96 GLN 98 97 VAL 99 98 ILE 100 99 SER 101 100 GLY 102 101 CYS 103 102 GLU 104 103 VAL 105 104 GLY 106 105 SER 107 106 ASP 108 107 GLY 109 108 ARG 110 109 LEU 111 110 LEU 112 111 ARG 113 112 GLY 114 113 TYR 115 114 GLN 116 115 GLN 117 116 TYR 118 117 ALA 119 118 TYR 120 119 ASP 121 120 GLY 122 121 CYS 123 122 ASP 124 123 TYR 125 124 ILE 126 125 ALA 127 126 LEU 128 127 ASN 129 128 GLU 130 129 ASP 131 130 LEU 132 131 LYS 133 132 THR 134 133 TRP 135 134 THR 136 135 ALA 137 136 ALA 138 137 ASP 139 138 MET 140 139 ALA 141 140 ALA 142 141 LEU 143 142 ILE 144 143 THR 145 144 LYS 146 145 HIS 147 146 LYS 148 147 TRP 149 148 GLU 150 149 GLN 151 150 ALA 152 151 GLY 153 152 GLU 154 153 ALA 155 154 GLU 156 155 ARG 157 156 LEU 158 157 ARG 159 158 ALA 160 159 TYR 161 160 LEU 162 161 GLU 163 162 GLY 164 163 THR 165 164 CYS 166 165 VAL 167 166 GLU 168 167 TRP 169 168 LEU 170 169 ARG 171 170 ARG 172 171 TYR 173 172 LEU 174 173 LYS 175 174 ASN 176 175 GLY 177 176 ASN 178 177 ALA 179 178 THR 180 179 LEU 181 180 LEU 182 181 ARG 183 182 THR 184 183 ASP 185 184 SER 186 185 PRO 187 186 LYS 188 187 ALA 189 188 HIS 190 189 VAL 191 190 THR 192 191 HIS 193 192 HIS 194 193 SER 195 194 ARG 196 195 PRO 197 196 GLU 198 197 ASP 199 198 LYS 200 199 VAL 201 200 THR 202 201 LEU 203 202 ARG 204 203 CYS 205 204 TRP 206 205 ALA 207 206 LEU 208 207 GLY 209 208 PHE 210 209 TYR 211 210 PRO 212 211 ALA 213 212 ASP 214 213 ILE 215 214 THR 216 215 LEU 217 216 THR 218 217 TRP 219 218 GLN 220 219 LEU 221 220 ASN 222 221 GLY 223 222 GLU 224 223 GLU 225 224 LEU 226 225 ILE 227 226 GLN 228 227 ASP 229 228 MET 230 229 GLU 231 230 LEU 232 231 VAL 233 232 GLU 234 233 THR 235 234 ARG 236 235 PRO 237 236 ALA 238 237 GLY 239 238 ASP 240 239 GLY 241 240 THR 242 241 PHE 243 242 GLN 244 243 LYS 245 244 TRP 246 245 ALA 247 246 SER 248 247 VAL 249 248 VAL 250 249 VAL 251 250 PRO 252 251 LEU 253 252 GLY 254 253 LYS 255 254 GLU 256 255 GLN 257 256 TYR 258 257 TYR 259 258 THR 260 259 CYS 261 260 HIS 262 261 VAL 263 262 TYR 264 263 HIS 265 264 GLN 266 265 GLY 267 266 LEU 268 267 PRO 269 268 GLU 270 269 PRO 271 270 LEU 272 271 THR 273 272 LEU 274 273 ARG 275 274 TRP 276 275 GLU 277 276 PRO 278 277 PRO 279 278 PRO 280 279 SER 281 280 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_VSV8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VSV8 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 8 _Mol_residue_sequence ; RGYVYQGL ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLY 3 TYR 4 VAL 5 TYR 6 GLN 7 GLY 8 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_b2m _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common b2m _Molecular_mass . _Mol_thiol_state . _Details . _Residue_count 99 _Mol_residue_sequence ; IQKTPQIQVYSRHPPENGKP NILNCYVTQFHPPHIEIQML KNGKKIPKVEMSDMSFSKDW SFYILAHTEFTPTETDTYAC RVKHDSMAEPKTVYWDRDM ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 GLN 3 LYS 4 THR 5 PRO 6 GLN 7 ILE 8 GLN 9 VAL 10 TYR 11 SER 12 ARG 13 HIS 14 PRO 15 PRO 16 GLU 17 ASN 18 GLY 19 LYS 20 PRO 21 ASN 22 ILE 23 LEU 24 ASN 25 CYS 26 TYR 27 VAL 28 THR 29 GLN 30 PHE 31 HIS 32 PRO 33 PRO 34 HIS 35 ILE 36 GLU 37 ILE 38 GLN 39 MET 40 LEU 41 LYS 42 ASN 43 GLY 44 LYS 45 LYS 46 ILE 47 PRO 48 LYS 49 VAL 50 GLU 51 MET 52 SER 53 ASP 54 MET 55 SER 56 PHE 57 SER 58 LYS 59 ASP 60 TRP 61 SER 62 PHE 63 TYR 64 ILE 65 LEU 66 ALA 67 HIS 68 THR 69 GLU 70 PHE 71 THR 72 PRO 73 THR 74 GLU 75 THR 76 ASP 77 THR 78 TYR 79 ALA 80 CYS 81 ARG 82 VAL 83 LYS 84 HIS 85 ASP 86 SER 87 MET 88 ALA 89 GLU 90 PRO 91 LYS 92 THR 93 VAL 94 TYR 95 TRP 96 ASP 97 ARG 98 ASP 99 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 _Strain _Gene_mnemonic $H-2Kb Mouse 10090 Eukaryota Metazoa Mus musculus B6 H-2Kb $VSV8 'vesicular stomatitus virus' 11276 Viruses . Vesiculovirus 'vesicular stomatitus virus' . . $b2m Mouse 10090 Eukaryota Metazoa Mus musculus B6 B2m 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 $H-2Kb 'recombinant technology' . . . BL21-DE3 pet11d $VSV8 'chemical synthesis' . . . . . $b2m 'recombinant technology' . . . BL21-DE3 pet11d 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 $H-2Kb 400 uM '[U-13C; U-15N; U-2H]' $VSV8 400 uM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' $b2m 400 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Cara _Saveframe_category software _Name Cara _Version . loop_ _Vendor _Address _Electronic_address Keller 'Goldau, Switzerland' . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_RASP _Saveframe_category software _Name RASP _Version . loop_ _Vendor _Address _Electronic_address MacRaild . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARTA+ _Saveframe_category software _Name SPARTA+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model UnityPlus _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 470 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.7 na indirect . . . . water H 1 protons ppm 4.7 na indirect . . . 1 water N 15 protons ppm 4.7 na indirect . . . . 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 $Cara stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name H-2Kb _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 3 4 HIS H H 8.153 0.020 1 2 3 4 HIS C C 173.829 0.3 1 3 3 4 HIS CA C 54.889 0.3 1 4 3 4 HIS CB C 32.794 0.3 1 5 3 4 HIS N N 117.156 0.3 1 6 4 5 SER H H 9.358 0.020 1 7 4 5 SER CA C 56.566 0.3 1 8 4 5 SER N N 114.232 0.3 1 9 5 6 LEU H H 8.810 0.020 1 10 5 6 LEU CA C 53.531 0.3 1 11 5 6 LEU N N 126.010 0.3 1 12 6 7 ARG H H 8.998 0.020 1 13 6 7 ARG CA C 54.067 0.3 1 14 6 7 ARG CB C 35.921 0.3 1 15 6 7 ARG N N 122.951 0.3 1 16 9 10 VAL H H 9.892 0.020 1 17 9 10 VAL CA C 60.928 0.3 1 18 9 10 VAL N N 130.237 0.3 1 19 10 11 THR H H 8.544 0.020 1 20 10 11 THR CA C 61.464 0.3 1 21 10 11 THR N N 121.826 0.3 1 22 11 12 ALA H H 9.045 0.020 1 23 11 12 ALA CA C 49.958 0.3 1 24 11 12 ALA CB C 21.709 0.3 1 25 11 12 ALA N N 128.577 0.3 1 26 12 13 VAL H H 9.061 0.020 1 27 12 13 VAL CA C 58.569 0.3 1 28 12 13 VAL CB C 34.201 0.3 1 29 12 13 VAL N N 122.389 0.3 1 30 13 14 SER H H 9.335 0.020 1 31 13 14 SER CA C 56.568 0.3 1 32 13 14 SER CB C 64.686 0.3 1 33 13 14 SER N N 122.389 0.3 1 34 14 15 ARG H H 8.294 0.020 1 35 14 15 ARG CA C 54.284 0.3 1 36 14 15 ARG N N 125.201 0.3 1 37 17 18 LEU H H 8.098 0.020 1 38 17 18 LEU C C 176.996 0.3 1 39 17 18 LEU CA C 54.389 0.3 1 40 17 18 LEU CB C 41.940 0.3 1 41 17 18 LEU N N 122.389 0.3 1 42 18 19 GLY H H 7.769 0.020 1 43 18 19 GLY C C 173.431 0.3 1 44 18 19 GLY CA C 44.597 0.3 1 45 18 19 GLY N N 107.762 0.3 1 46 19 20 GLU H H 8.333 0.020 1 47 19 20 GLU CA C 54.353 0.3 1 48 19 20 GLU CB C 27.714 0.3 1 49 19 20 GLU N N 122.389 0.3 1 50 21 22 ARG H H 8.748 0.020 1 51 21 22 ARG C C 173.406 0.3 1 52 21 22 ARG CA C 55.318 0.3 1 53 21 22 ARG CB C 31.010 0.3 1 54 21 22 ARG N N 126.327 0.3 1 55 22 23 TYR H H 9.155 0.020 1 56 22 23 TYR CA C 56.961 0.3 1 57 22 23 TYR CB C 42.892 0.3 1 58 22 23 TYR N N 130.264 0.3 1 59 23 24 MET H H 8.466 0.020 1 60 23 24 MET CA C 53.214 0.3 1 61 23 24 MET CB C 37.484 0.3 1 62 23 24 MET N N 125.483 0.3 1 63 24 25 GLU H H 8.621 0.020 1 64 24 25 GLU CA C 55.272 0.3 1 65 24 25 GLU N N 118.580 0.3 1 66 25 26 VAL H H 8.842 0.020 1 67 25 26 VAL CA C 61.250 0.3 1 68 25 26 VAL CB C 33.967 0.3 1 69 25 26 VAL N N 123.233 0.3 1 70 26 27 GLY H H 8.223 0.020 1 71 26 27 GLY C C 172.885 0.3 1 72 26 27 GLY CA C 44.383 0.3 1 73 26 27 GLY N N 113.669 0.3 1 74 27 28 TYR H H 9.562 0.020 1 75 27 28 TYR CA C 57.282 0.3 1 76 27 28 TYR N N 122.670 0.3 1 77 28 29 VAL H H 8.651 0.020 1 78 28 29 VAL CA C 60.571 0.3 1 79 28 29 VAL N N 125.202 0.3 1 80 34 35 VAL H H 8.789 0.020 1 81 34 35 VAL CA C 59.820 0.3 1 82 34 35 VAL CB C 40.611 0.3 1 83 34 35 VAL N N 123.929 0.3 1 84 35 36 ARG H H 8.140 0.020 1 85 35 36 ARG CA C 55.961 0.3 1 86 35 36 ARG CB C 33.889 0.3 1 87 35 36 ARG N N 119.590 0.3 1 88 36 37 PHE H H 9.249 0.020 1 89 36 37 PHE CA C 56.854 0.3 1 90 36 37 PHE CB C 42.344 0.3 1 91 36 37 PHE N N 128.577 0.3 1 92 37 38 ASP H H 7.472 0.020 1 93 37 38 ASP C C 175.898 0.3 1 94 37 38 ASP CA C 51.887 0.3 1 95 37 38 ASP CB C 42.735 0.3 1 96 37 38 ASP N N 127.452 0.3 1 97 38 39 SER H H 9.358 0.020 1 98 38 39 SER CA C 60.856 0.3 1 99 38 39 SER CB C 62.966 0.3 1 100 38 39 SER N N 123.795 0.3 1 101 39 40 ASP H H 8.245 0.020 1 102 39 40 ASP CA C 53.674 0.3 1 103 39 40 ASP CB C 39.751 0.3 1 104 39 40 ASP N N 123.086 0.3 1 105 40 41 ALA H H 7.307 0.020 1 106 40 41 ALA C C 176.387 0.3 1 107 40 41 ALA CA C 51.494 0.3 1 108 40 41 ALA CB C 19.194 0.3 1 109 40 41 ALA N N 124.358 0.3 1 110 41 42 GLU H H 8.302 0.020 1 111 41 42 GLU C C 177.206 0.3 1 112 41 42 GLU CA C 58.534 0.3 1 113 41 42 GLU CB C 28.730 0.3 1 114 41 42 GLU N N 121.264 0.3 1 115 42 43 ASN H H 8.106 0.020 1 116 42 43 ASN CA C 50.243 0.3 1 117 42 43 ASN CB C 38.188 0.3 1 118 42 43 ASN N N 116.087 0.3 1 119 48 49 ARG H H 7.955 0.020 1 120 48 49 ARG CA C 52.185 0.3 1 121 48 49 ARG N N 120.188 0.3 1 122 49 50 ALA H H 6.822 0.020 1 123 49 50 ALA CA C 49.850 0.3 1 124 49 50 ALA CB C 20.366 0.3 1 125 49 50 ALA N N 120.420 0.3 1 126 53 54 GLU H H 7.847 0.020 1 127 53 54 GLU CA C 58.141 0.3 1 128 53 54 GLU N N 119.857 0.3 1 129 54 55 GLN H H 7.346 0.020 1 130 54 55 GLN CA C 56.211 0.3 1 131 54 55 GLN CB C 28.712 0.3 1 132 54 55 GLN N N 114.794 0.3 1 133 55 56 GLU H H 7.504 0.020 1 134 55 56 GLU CA C 55.746 0.3 1 135 55 56 GLU CB C 28.026 0.3 1 136 55 56 GLU N N 120.524 0.3 1 137 56 57 GLY H H 8.748 0.020 1 138 56 57 GLY CA C 44.562 0.3 1 139 56 57 GLY N N 111.138 0.3 1 140 58 59 GLU H H 9.108 0.020 1 141 58 59 GLU CA C 58.963 0.3 1 142 58 59 GLU N N 118.451 0.3 1 143 59 60 TYR H H 7.723 0.020 1 144 59 60 TYR CA C 61.250 0.3 1 145 59 60 TYR CB C 38.031 0.3 1 146 59 60 TYR N N 123.357 0.3 1 147 60 61 TRP H H 6.611 0.020 1 148 60 61 TRP CA C 57.891 0.3 1 149 60 61 TRP CB C 28.652 0.3 1 150 60 61 TRP N N 120.302 0.3 1 151 61 62 GLU H H 8.529 0.020 1 152 61 62 GLU CA C 59.070 0.3 1 153 61 62 GLU N N 122.325 0.3 1 154 62 63 ARG H H 7.778 0.020 1 155 62 63 ARG CA C 58.391 0.3 1 156 62 63 ARG N N 120.141 0.3 1 157 63 64 GLU H H 8.155 0.020 1 158 63 64 GLU CA C 58.024 0.3 1 159 63 64 GLU N N 118.422 0.3 1 160 68 69 LYS H H 8.132 0.020 1 161 68 69 LYS CA C 58.485 0.3 1 162 68 69 LYS N N 116.994 0.3 1 163 69 70 GLY H H 7.816 0.020 1 164 69 70 GLY CA C 46.527 0.3 1 165 69 70 GLY N N 109.731 0.3 1 166 70 71 ASN H H 8.429 0.020 1 167 70 71 ASN CA C 55.103 0.3 1 168 70 71 ASN N N 125.212 0.3 1 169 71 72 GLU H H 8.795 0.020 1 170 71 72 GLU CA C 58.712 0.3 1 171 71 72 GLU CB C 28.730 0.3 1 172 71 72 GLU N N 124.068 0.3 1 173 72 73 GLN H H 6.963 0.020 1 174 72 73 GLN CA C 57.962 0.3 1 175 72 73 GLN N N 115.357 0.3 1 176 73 74 SER H H 7.644 0.020 1 177 73 74 SER CA C 60.785 0.3 1 178 73 74 SER N N 116.763 0.3 1 179 74 75 PHE H H 8.957 0.020 1 180 74 75 PHE CA C 62.036 0.3 1 181 74 75 PHE N N 120.141 0.3 1 182 75 76 ARG H H 7.793 0.020 1 183 75 76 ARG CA C 60.065 0.3 1 184 75 76 ARG N N 119.570 0.3 1 185 76 77 VAL H H 7.033 0.020 1 186 76 77 VAL CA C 66.002 0.3 1 187 76 77 VAL N N 120.982 0.3 1 188 77 78 ASP H H 8.145 0.020 1 189 77 78 ASP CA C 57.569 0.3 1 190 77 78 ASP CB C 40.376 0.3 1 191 77 78 ASP N N 122.107 0.3 1 192 78 79 LEU H H 8.067 0.020 1 193 78 79 LEU CA C 58.319 0.3 1 194 78 79 LEU CB C 41.158 0.3 1 195 78 79 LEU N N 119.576 0.3 1 196 79 80 ARG H H 6.979 0.020 1 197 79 80 ARG CA C 58.927 0.3 1 198 79 80 ARG N N 119.857 0.3 1 199 80 81 THR H H 9.124 0.020 1 200 80 81 THR CA C 64.859 0.3 1 201 80 81 THR N N 122.670 0.3 1 202 81 82 LEU H H 8.126 0.020 1 203 81 82 LEU CA C 58.248 0.3 1 204 81 82 LEU N N 122.670 0.3 1 205 82 83 LEU H H 6.908 0.020 1 206 82 83 LEU CA C 57.819 0.3 1 207 82 83 LEU N N 118.170 0.3 1 208 83 84 GLY H H 7.088 0.020 1 209 83 84 GLY CA C 46.216 0.3 1 210 83 84 GLY N N 103.825 0.3 1 211 84 85 TYR H H 8.046 0.020 1 212 84 85 TYR CA C 56.804 0.3 1 213 84 85 TYR N N 122.941 0.3 1 214 85 86 TYR H H 7.801 0.020 1 215 85 86 TYR CA C 59.161 0.3 1 216 85 86 TYR N N 113.669 0.3 1 217 86 87 ASN H H 7.785 0.020 1 218 86 87 ASN CA C 54.059 0.3 1 219 86 87 ASN CB C 36.546 0.3 1 220 86 87 ASN N N 120.982 0.3 1 221 87 88 GLN H H 8.607 0.020 1 222 87 88 GLN CA C 54.246 0.3 1 223 87 88 GLN CB C 29.980 0.3 1 224 87 88 GLN N N 118.451 0.3 1 225 88 89 SER H H 8.325 0.020 1 226 88 89 SER CA C 57.497 0.3 1 227 88 89 SER N N 115.822 0.3 1 228 94 95 THR H H 8.294 0.020 1 229 94 95 THR C C 174.742 0.3 1 230 94 95 THR CA C 61.007 0.3 1 231 94 95 THR N N 113.107 0.3 1 232 95 96 ILE H H 9.719 0.020 1 233 95 96 ILE CA C 60.571 0.3 1 234 95 96 ILE CB C 40.390 0.3 1 235 95 96 ILE N N 128.296 0.3 1 236 96 97 GLN H H 8.576 0.020 1 237 96 97 GLN CA C 52.923 0.3 1 238 96 97 GLN CB C 36.482 0.3 1 239 96 97 GLN N N 126.045 0.3 1 240 97 98 VAL H H 9.139 0.020 1 241 97 98 VAL CA C 59.642 0.3 1 242 97 98 VAL N N 120.982 0.3 1 243 98 99 ILE H H 8.983 0.020 1 244 98 99 ILE CA C 61.107 0.3 1 245 98 99 ILE N N 125.483 0.3 1 246 99 100 SER H H 8.654 0.020 1 247 99 100 SER CA C 52.280 0.3 1 248 99 100 SER N N 122.107 0.3 1 249 102 103 GLU H H 8.506 0.020 1 250 102 103 GLU CA C 54.031 0.3 1 251 102 103 GLU N N 120.973 0.3 1 252 104 105 GLY H H 8.341 0.020 1 253 104 105 GLY CA C 43.597 0.3 1 254 104 105 GLY N N 110.013 0.3 1 255 106 107 ASP H H 7.965 0.020 1 256 106 107 ASP CA C 52.673 0.3 1 257 106 107 ASP CB C 39.438 0.3 1 258 106 107 ASP N N 119.289 0.3 1 259 107 108 GLY H H 7.996 0.020 1 260 107 108 GLY CA C 44.955 0.3 1 261 107 108 GLY N N 108.606 0.3 1 262 108 109 ARG H H 7.487 0.020 1 263 108 109 ARG C C 176.063 0.3 1 264 108 109 ARG CA C 54.532 0.3 1 265 108 109 ARG CB C 30.371 0.3 1 266 108 109 ARG N N 119.576 0.3 1 267 109 110 LEU H H 8.576 0.020 1 268 109 110 LEU CA C 56.461 0.3 1 269 109 110 LEU CB C 41.080 0.3 1 270 109 110 LEU N N 123.233 0.3 1 271 110 111 LEU H H 9.358 0.020 1 272 110 111 LEU CA C 55.357 0.3 1 273 110 111 LEU N N 130.546 0.3 1 274 111 112 ARG H H 7.330 0.020 1 275 111 112 ARG CA C 54.960 0.3 1 276 111 112 ARG N N 115.628 0.3 1 277 112 113 GLY H H 8.270 0.020 1 278 112 113 GLY CA C 43.525 0.3 1 279 112 113 GLY N N 109.450 0.3 1 280 114 115 GLN H H 8.141 0.020 1 281 114 115 GLN CA C 58.605 0.3 1 282 114 115 GLN N N 119.883 0.3 1 283 115 116 GLN H H 8.141 0.020 1 284 115 116 GLN CA C 54.674 0.3 1 285 115 116 GLN N N 124.751 0.3 1 286 116 117 TYR H H 9.578 0.020 1 287 116 117 TYR CA C 56.390 0.3 1 288 116 117 TYR N N 122.107 0.3 1 289 117 118 ALA H H 9.191 0.020 1 290 117 118 ALA CA C 50.494 0.3 1 291 117 118 ALA N N 125.945 0.3 1 292 118 119 TYR H H 8.542 0.020 1 293 118 119 TYR CA C 54.281 0.3 1 294 118 119 TYR N N 121.263 0.3 1 295 119 120 ASP H H 9.606 0.020 1 296 119 120 ASP CA C 55.175 0.3 1 297 119 120 ASP N N 130.691 0.3 1 298 120 121 GLY H H 9.202 0.020 1 299 120 121 GLY CA C 43.918 0.3 1 300 120 121 GLY N N 102.987 0.3 1 301 121 122 CYS H H 7.206 0.020 1 302 121 122 CYS CA C 56.247 0.3 1 303 121 122 CYS CB C 29.590 0.3 1 304 121 122 CYS N N 117.407 0.3 1 305 122 123 ASP H H 8.474 0.020 1 306 122 123 ASP CA C 56.961 0.3 1 307 122 123 ASP CB C 40.611 0.3 1 308 122 123 ASP N N 123.795 0.3 1 309 123 124 TYR H H 8.789 0.020 1 310 123 124 TYR CA C 59.760 0.3 1 311 123 124 TYR N N 123.894 0.3 1 312 124 125 ILE H H 7.315 0.020 1 313 124 125 ILE CA C 59.713 0.3 1 314 124 125 ILE N N 116.201 0.3 1 315 125 126 ALA H H 8.262 0.020 1 316 125 126 ALA CA C 51.065 0.3 1 317 125 126 ALA N N 126.327 0.3 1 318 135 136 ALA H H 9.045 0.020 1 319 135 136 ALA CA C 49.958 0.3 1 320 135 136 ALA N N 132.796 0.3 1 321 136 137 ALA H H 8.278 0.020 1 322 136 137 ALA CA C 53.824 0.3 1 323 136 137 ALA N N 125.326 0.3 1 324 137 138 ASP H H 7.026 0.020 1 325 137 138 ASP CA C 52.173 0.3 1 326 137 138 ASP CB C 41.236 0.3 1 327 137 138 ASP N N 114.817 0.3 1 328 138 139 MET H H 7.910 0.020 1 329 138 139 MET CA C 57.605 0.3 1 330 138 139 MET CB C 41.314 0.3 1 331 138 139 MET N N 115.919 0.3 1 332 139 140 ALA H H 7.620 0.020 1 333 139 140 ALA CA C 54.067 0.3 1 334 139 140 ALA CB C 17.175 0.3 1 335 139 140 ALA N N 126.045 0.3 1 336 140 141 ALA H H 7.937 0.020 1 337 140 141 ALA CA C 53.438 0.3 1 338 140 141 ALA N N 118.350 0.3 1 339 141 142 LEU H H 7.159 0.020 1 340 141 142 LEU CA C 56.819 0.3 1 341 141 142 LEU N N 118.170 0.3 1 342 143 144 THR H H 6.438 0.020 1 343 143 144 THR CA C 66.324 0.3 1 344 143 144 THR N N 118.027 0.3 1 345 147 148 TRP H H 9.225 0.020 1 346 147 148 TRP CA C 54.016 0.3 1 347 147 148 TRP N N 127.733 0.3 1 348 148 149 GLU H H 8.184 0.020 1 349 148 149 GLU CA C 53.888 0.3 1 350 148 149 GLU CB C 33.811 0.3 1 351 148 149 GLU N N 118.451 0.3 1 352 149 150 GLN H H 9.930 0.020 1 353 149 150 GLN CA C 58.141 0.3 1 354 149 150 GLN N N 124.639 0.3 1 355 150 151 ALA H H 7.190 0.020 1 356 150 151 ALA C C 171.733 0.3 1 357 150 151 ALA CA C 51.788 0.3 1 358 150 151 ALA CB C 30.072 0.3 1 359 150 151 ALA N N 128.296 0.3 1 360 151 152 GLY H H 7.620 0.020 1 361 151 152 GLY CA C 46.313 0.3 1 362 151 152 GLY N N 108.325 0.3 1 363 152 153 GLU H H 9.219 0.020 1 364 152 153 GLU CA C 53.102 0.3 1 365 152 153 GLU N N 111.631 0.3 1 366 161 162 GLU H H 8.625 0.020 1 367 161 162 GLU CA C 57.030 0.3 1 368 161 162 GLU N N 125.113 0.3 1 369 162 163 GLY H H 7.268 0.020 1 370 162 163 GLY CA C 45.419 0.3 1 371 162 163 GLY N N 108.606 0.3 1 372 163 164 THR H H 7.952 0.020 1 373 163 164 THR CA C 66.431 0.3 1 374 163 164 THR N N 124.446 0.3 1 375 167 168 TRP H H 8.583 0.020 1 376 167 168 TRP CA C 61.285 0.3 1 377 167 168 TRP N N 119.864 0.3 1 378 168 169 LEU H H 8.245 0.020 1 379 168 169 LEU CA C 58.748 0.3 1 380 168 169 LEU N N 121.877 0.3 1 381 169 170 ARG H H 7.495 0.020 1 382 169 170 ARG CA C 59.701 0.3 1 383 169 170 ARG N N 116.054 0.3 1 384 170 171 ARG H H 6.830 0.020 1 385 170 171 ARG CA C 58.712 0.3 1 386 170 171 ARG N N 121.545 0.3 1 387 171 172 TYR H H 8.685 0.020 1 388 171 172 TYR CA C 58.069 0.3 1 389 171 172 TYR N N 120.982 0.3 1 390 172 173 LEU H H 8.442 0.020 1 391 172 173 LEU CA C 56.961 0.3 1 392 172 173 LEU N N 118.170 0.3 1 393 173 174 LYS H H 7.213 0.020 1 394 173 174 LYS CA C 58.677 0.3 1 395 173 174 LYS N N 119.576 0.3 1 396 174 175 ASN H H 8.078 0.020 1 397 174 175 ASN CA C 54.587 0.3 1 398 174 175 ASN N N 118.816 0.3 1 399 175 176 GLY H H 8.193 0.020 1 400 175 176 GLY CA C 43.311 0.3 1 401 175 176 GLY N N 108.625 0.3 1 402 176 177 ASN H H 7.072 0.020 1 403 176 177 ASN CA C 57.926 0.3 1 404 176 177 ASN N N 121.264 0.3 1 405 177 178 ALA H H 8.302 0.020 1 406 177 178 ALA CA C 54.496 0.3 1 407 177 178 ALA N N 119.576 0.3 1 408 179 180 LEU H H 8.928 0.020 1 409 179 180 LEU CA C 56.747 0.3 1 410 179 180 LEU N N 124.076 0.3 1 411 180 181 LEU H H 7.534 0.020 1 412 180 181 LEU CA C 53.924 0.3 1 413 180 181 LEU N N 117.888 0.3 1 414 181 182 ARG H H 6.791 0.020 1 415 181 182 ARG CA C 55.746 0.3 1 416 181 182 ARG N N 121.264 0.3 1 417 182 183 THR H H 8.200 0.020 1 418 182 183 THR CA C 60.678 0.3 1 419 182 183 THR N N 114.232 0.3 1 420 183 184 ASP H H 9.687 0.020 1 421 183 184 ASP CA C 53.352 0.3 1 422 183 184 ASP N N 126.889 0.3 1 423 184 185 SER H H 8.756 0.020 1 424 184 185 SER CA C 56.854 0.3 1 425 184 185 SER CB C 61.716 0.3 1 426 184 185 SER N N 120.139 0.3 1 427 186 187 LYS H H 9.012 0.020 1 428 186 187 LYS CA C 55.568 0.3 1 429 186 187 LYS CB C 31.153 0.3 1 430 186 187 LYS N N 123.773 0.3 1 431 187 188 ALA H H 8.740 0.020 1 432 187 188 ALA C C 175.977 0.3 1 433 187 188 ALA CA C 50.315 0.3 1 434 187 188 ALA CB C 23.819 0.3 1 435 187 188 ALA N N 130.546 0.3 1 436 188 189 HIS H H 8.341 0.020 1 437 188 189 HIS CA C 56.068 0.3 1 438 188 189 HIS N N 117.544 0.3 1 439 189 190 VAL H H 8.599 0.020 1 440 189 190 VAL CA C 60.249 0.3 1 441 189 190 VAL CB C 34.201 0.3 1 442 189 190 VAL N N 120.982 0.3 1 443 190 191 THR H H 9.789 0.020 1 444 190 191 THR CA C 60.428 0.3 1 445 190 191 THR N N 119.988 0.3 1 446 191 192 HIS H H 7.692 0.020 1 447 191 192 HIS CA C 54.817 0.3 1 448 191 192 HIS CB C 32.638 0.3 1 449 191 192 HIS N N 122.664 0.3 1 450 192 193 HIS H H 8.067 0.020 1 451 192 193 HIS CA C 53.567 0.3 1 452 192 193 HIS CB C 30.059 0.3 1 453 192 193 HIS N N 123.795 0.3 1 454 193 194 SER H H 9.155 0.020 1 455 193 194 SER CA C 54.210 0.3 1 456 193 194 SER N N 126.608 0.3 1 457 198 199 LYS H H 7.057 0.020 1 458 198 199 LYS CA C 53.745 0.3 1 459 198 199 LYS N N 119.295 0.3 1 460 199 200 VAL H H 8.936 0.020 1 461 199 200 VAL CA C 59.642 0.3 1 462 199 200 VAL N N 119.857 0.3 1 463 200 201 THR H H 8.756 0.020 1 464 200 201 THR CA C 61.571 0.3 1 465 200 201 THR N N 122.686 0.3 1 466 201 202 LEU H H 8.529 0.020 1 467 201 202 LEU CA C 52.102 0.3 1 468 201 202 LEU N N 127.452 0.3 1 469 202 203 ARG H H 8.851 0.020 1 470 202 203 ARG CA C 54.889 0.3 1 471 202 203 ARG CB C 31.075 0.3 1 472 202 203 ARG N N 124.904 0.3 1 473 203 204 CYS H H 9.609 0.020 1 474 203 204 CYS CA C 53.066 0.3 1 475 203 204 CYS CB C 40.547 0.3 1 476 203 204 CYS N N 129.421 0.3 1 477 204 205 TRP H H 9.288 0.020 1 478 204 205 TRP CA C 56.442 0.3 1 479 204 205 TRP CB C 30.698 0.3 1 480 204 205 TRP N N 127.733 0.3 1 481 205 206 ALA H H 8.996 0.020 1 482 205 206 ALA CA C 50.565 0.3 1 483 205 206 ALA N N 120.642 0.3 1 484 206 207 LEU H H 8.920 0.020 1 485 206 207 LEU CA C 53.531 0.3 1 486 206 207 LEU N N 121.826 0.3 1 487 207 208 GLY H H 8.537 0.020 1 488 207 208 GLY CA C 46.313 0.3 1 489 207 208 GLY N N 110.430 0.3 1 490 208 209 PHE H H 7.299 0.020 1 491 208 209 PHE CA C 53.710 0.3 1 492 208 209 PHE CB C 41.236 0.3 1 493 208 209 PHE N N 111.982 0.3 1 494 209 210 TYR H H 9.006 0.020 1 495 209 210 TYR CA C 58.176 0.3 1 496 209 210 TYR N N 120.701 0.3 1 497 211 212 ALA H H 8.012 0.020 1 498 211 212 ALA CA C 54.246 0.3 1 499 211 212 ALA CB C 16.685 0.3 1 500 211 212 ALA N N 119.576 0.3 1 501 212 213 ASP H H 7.151 0.020 1 502 212 213 ASP CA C 55.210 0.3 1 503 212 213 ASP CB C 39.986 0.3 1 504 212 213 ASP N N 116.482 0.3 1 505 213 214 ILE H H 7.464 0.020 1 506 213 214 ILE C C 172.577 0.3 1 507 213 214 ILE CA C 60.356 0.3 1 508 213 214 ILE CB C 39.360 0.3 1 509 213 214 ILE N N 123.514 0.3 1 510 214 215 THR H H 8.097 0.020 1 511 214 215 THR CA C 61.893 0.3 1 512 214 215 THR CB C 70.632 0.3 1 513 214 215 THR N N 121.517 0.3 1 514 215 216 LEU H H 8.489 0.020 1 515 215 216 LEU C C 175.563 0.3 1 516 215 216 LEU CA C 53.388 0.3 1 517 215 216 LEU CB C 44.611 0.3 1 518 215 216 LEU N N 128.577 0.3 1 519 216 217 THR H H 8.709 0.020 1 520 216 217 THR CA C 59.784 0.3 1 521 216 217 THR N N 115.076 0.3 1 522 217 218 TRP H H 8.168 0.020 1 523 217 218 TRP CA C 53.066 0.3 1 524 217 218 TRP CB C 30.997 0.3 1 525 217 218 TRP N N 124.639 0.3 1 526 221 222 GLY H H 8.591 0.020 1 527 221 222 GLY CA C 45.226 0.3 1 528 221 222 GLY N N 105.231 0.3 1 529 222 223 GLU H H 7.628 0.020 1 530 222 223 GLU CA C 54.710 0.3 1 531 222 223 GLU N N 119.857 0.3 1 532 223 224 GLU H H 8.435 0.020 1 533 223 224 GLU CA C 56.390 0.3 1 534 223 224 GLU N N 123.233 0.3 1 535 224 225 LEU H H 8.536 0.020 1 536 224 225 LEU CA C 54.210 0.3 1 537 224 225 LEU CB C 40.845 0.3 1 538 224 225 LEU N N 127.570 0.3 1 539 225 226 ILE H H 7.503 0.020 1 540 225 226 ILE CA C 54.889 0.3 1 541 225 226 ILE CB C 34.905 0.3 1 542 225 226 ILE N N 120.420 0.3 1 543 229 230 GLU H H 8.857 0.020 1 544 229 230 GLU CA C 55.139 0.3 1 545 229 230 GLU CB C 30.932 0.3 1 546 229 230 GLU N N 125.483 0.3 1 547 230 231 LEU H H 8.489 0.020 1 548 230 231 LEU CA C 53.817 0.3 1 549 230 231 LEU CB C 44.754 0.3 1 550 230 231 LEU N N 124.639 0.3 1 551 231 232 VAL H H 6.399 0.020 1 552 231 232 VAL CA C 58.391 0.3 1 553 231 232 VAL CB C 32.325 0.3 1 554 231 232 VAL N N 115.076 0.3 1 555 232 233 GLU H H 8.262 0.020 1 556 232 233 GLU CA C 56.068 0.3 1 557 232 233 GLU CB C 28.808 0.3 1 558 232 233 GLU N N 124.076 0.3 1 559 233 234 THR H H 8.623 0.020 1 560 233 234 THR CA C 64.144 0.3 1 561 233 234 THR N N 122.670 0.3 1 562 234 235 ARG H H 8.802 0.020 1 563 234 235 ARG CA C 50.708 0.3 1 564 234 235 ARG N N 124.501 0.3 1 565 237 238 GLY H H 8.497 0.020 1 566 237 238 GLY CA C 43.847 0.3 1 567 237 238 GLY N N 106.637 0.3 1 568 238 239 ASP H H 7.307 0.020 1 569 238 239 ASP CA C 51.315 0.3 1 570 238 239 ASP N N 118.451 0.3 1 571 239 240 GLY H H 8.261 0.020 1 572 239 240 GLY CA C 44.204 0.3 1 573 239 240 GLY N N 110.011 0.3 1 574 240 241 THR H H 7.503 0.020 1 575 240 241 THR CA C 59.856 0.3 1 576 240 241 THR N N 110.575 0.3 1 577 241 242 PHE H H 8.568 0.020 1 578 241 242 PHE CA C 57.462 0.3 1 579 241 242 PHE N N 120.420 0.3 1 580 242 243 GLN H H 8.482 0.020 1 581 242 243 GLN CA C 52.816 0.3 1 582 242 243 GLN N N 111.700 0.3 1 583 243 244 LYS H H 9.355 0.020 1 584 243 244 LYS CA C 56.961 0.3 1 585 243 244 LYS CB C 38.110 0.3 1 586 243 244 LYS N N 120.845 0.3 1 587 244 245 TRP H H 6.102 0.020 1 588 244 245 TRP CA C 54.738 0.3 1 589 244 245 TRP CB C 33.342 0.3 1 590 244 245 TRP N N 116.882 0.3 1 591 245 246 ALA H H 8.701 0.020 1 592 245 246 ALA C C 178.049 0.3 1 593 245 246 ALA CA C 50.779 0.3 1 594 245 246 ALA N N 119.295 0.3 1 595 246 247 SER H H 10.940 0.020 1 596 246 247 SER CA C 56.425 0.3 1 597 246 247 SER CB C 67.201 0.3 1 598 246 247 SER N N 125.483 0.3 1 599 247 248 VAL H H 8.028 0.020 1 600 247 248 VAL CA C 59.034 0.3 1 601 247 248 VAL CB C 34.514 0.3 1 602 247 248 VAL N N 114.513 0.3 1 603 248 249 VAL H H 7.675 0.020 1 604 248 249 VAL C C 176.149 0.3 1 605 248 249 VAL CA C 60.856 0.3 1 606 248 249 VAL CB C 31.231 0.3 1 607 248 249 VAL N N 123.795 0.3 1 608 249 250 VAL H H 9.014 0.020 1 609 249 250 VAL CA C 56.568 0.3 1 610 249 250 VAL CB C 32.091 0.3 1 611 249 250 VAL N N 123.514 0.3 1 612 251 252 LEU H H 7.761 0.020 1 613 251 252 LEU CA C 56.447 0.3 1 614 251 252 LEU CB C 41.236 0.3 1 615 251 252 LEU N N 125.201 0.3 1 616 252 253 GLY H H 8.912 0.020 1 617 252 253 GLY CA C 45.062 0.3 1 618 252 253 GLY N N 117.729 0.3 1 619 253 254 LYS H H 7.902 0.020 1 620 253 254 LYS CA C 54.174 0.3 1 621 253 254 LYS N N 120.139 0.3 1 622 254 255 GLU H H 10.799 0.020 1 623 254 255 GLU CA C 61.464 0.3 1 624 254 255 GLU N N 121.545 0.3 1 625 255 256 GLN H H 9.147 0.020 1 626 255 256 GLN CA C 57.212 0.3 1 627 255 256 GLN N N 114.383 0.3 1 628 256 257 TYR H H 7.757 0.020 1 629 256 257 TYR CA C 58.427 0.3 1 630 256 257 TYR CB C 36.859 0.3 1 631 256 257 TYR N N 119.576 0.3 1 632 258 259 THR H H 9.257 0.020 1 633 258 259 THR CA C 58.963 0.3 1 634 258 259 THR N N 113.951 0.3 1 635 259 260 CYS H H 8.828 0.020 1 636 259 260 CYS CA C 51.315 0.3 1 637 259 260 CYS CB C 40.298 0.3 1 638 259 260 CYS N N 125.481 0.3 1 639 260 261 HIS H H 8.857 0.020 1 640 260 261 HIS CA C 53.638 0.3 1 641 260 261 HIS CB C 30.463 0.3 1 642 260 261 HIS N N 128.014 0.3 1 643 261 262 VAL H H 7.865 0.020 1 644 261 262 VAL CA C 60.178 0.3 1 645 261 262 VAL N N 122.107 0.3 1 646 262 263 TYR H H 8.646 0.020 1 647 262 263 TYR CA C 55.496 0.3 1 648 262 263 TYR CB C 38.579 0.3 1 649 262 263 TYR N N 124.358 0.3 1 650 263 264 HIS H H 8.012 0.020 1 651 263 264 HIS CA C 57.426 0.3 1 652 263 264 HIS CB C 38.344 0.3 1 653 263 264 HIS N N 122.389 0.3 1 654 264 265 GLN H H 8.192 0.020 1 655 264 265 GLN CA C 57.802 0.3 1 656 264 265 GLN CB C 28.744 0.3 1 657 264 265 GLN N N 126.608 0.3 1 658 265 266 GLY H H 10.689 0.020 1 659 265 266 GLY CA C 44.652 0.3 1 660 265 266 GLY N N 111.982 0.3 1 661 266 267 LEU H H 7.754 0.020 1 662 266 267 LEU CA C 50.994 0.3 1 663 266 267 LEU CB C 41.471 0.3 1 664 266 267 LEU N N 122.107 0.3 1 665 268 269 GLU H H 7.066 0.020 1 666 268 269 GLU CA C 52.566 0.3 1 667 268 269 GLU CB C 30.371 0.3 1 668 268 269 GLU N N 114.794 0.3 1 669 270 271 LEU H H 8.051 0.020 1 670 270 271 LEU CA C 53.829 0.3 1 671 270 271 LEU N N 122.951 0.3 1 672 271 272 THR H H 8.145 0.020 1 673 271 272 THR CA C 60.999 0.3 1 674 271 272 THR CB C 69.532 0.3 1 675 271 272 THR N N 118.170 0.3 1 676 272 273 LEU H H 8.815 0.020 1 677 272 273 LEU CA C 53.209 0.3 1 678 272 273 LEU N N 125.481 0.3 1 679 279 280 SER H H 8.309 0.020 1 680 279 280 SER C C 173.904 0.3 1 681 279 280 SER CA C 57.891 0.3 1 682 279 280 SER CB C 63.201 0.3 1 683 279 280 SER N N 117.326 0.3 1 684 280 281 THR H H 7.683 0.020 1 685 280 281 THR C C 179.140 0.3 1 686 280 281 THR CA C 62.786 0.3 1 687 280 281 THR CB C 70.236 0.3 1 688 280 281 THR N N 121.643 0.3 1 stop_ save_