data_26977 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; An allosteric site in the T cell receptor constant domain plays a critical role in T cell signaling ; _BMRB_accession_number 26977 _BMRB_flat_file_name bmr26977.str _Entry_type original _Submission_date 2016-12-19 _Accession_date 2016-12-19 _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 McShan Andrew C. . 2 Natarajan Kannan . . 3 Jiang Jiansheng . . 4 Kumirov Vlad K. . 5 Wang Rui . . 6 Zhao Huaying . . 7 Schuck Peter . . 8 Tilahun Mulualem E. . 9 Boyd Lisa F. . 10 Ying Jinfa . . 11 Bax Ad . . 12 Margulies David H. . 13 Sgourakis Nikolaos G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 288 "13C chemical shifts" 698 "15N chemical shifts" 197 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-05-23 original BMRB . stop_ _Original_release_date 2016-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; An allosteric site in the T-cell receptor Cbeta domain plays a critical signalling role ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28508865 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Natarajan Kannan . . 2 McShan Andrew C. . 3 Jiang Jiansheng . . 4 Kumirov Vlad K. . 5 Wang Rui . . 6 Zhao Huaying . . 7 Schuck Peter . . 8 Tilahun Mulualem E. . 9 Boyd Lisa F. . 10 Ying Jinfa . . 11 Bax Ad . . 12 Margulies David H. . 13 Sgourakis Nikolaos G. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 8 _Journal_issue . _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15260 _Page_last 15260 _Year 2017 _Details . loop_ _Keyword CD3 MHC 'T cell receptor' 'antigen recognition' 'methyl assignments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Beta-chain labeled B4.2.3 TCR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Beta-chain $B4.2.3_T-cell_receptor_Beta-chain Alpha-chain $B4.2.3_T-cell_receptor_Alpha-chain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'T cell differentiation' 'cell-mediated immunity' 'thymic selection' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_B4.2.3_T-cell_receptor_Beta-chain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common B4.2.3_T-cell_receptor_Beta-chain _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 236 _Mol_residue_sequence ; MKVTQMPRYLIKRMGENVLL ECGQDMSHETMYWYRQDPGL GLQLIYISYDVDSNSEGDIP KGYRVSRKKREHFSLILDSA KTNQTSVYFCASSLGHTEVF FGKGTRLTVVEDLRNVTPPK VSLFEPSKAEIANKQKATLV CLARGFFPDHVELSWWVNGK EVHSGVCTDPQAYKESNYSY ALSSRLRVSATFWHNPRNHF RCQVQFHGLSEEDKWPEGSP KPVTQNISAEAWGRAD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 VAL 4 THR 5 GLN 6 MET 7 PRO 8 ARG 9 TYR 10 LEU 11 ILE 12 LYS 13 ARG 14 MET 15 GLY 16 GLU 17 ASN 18 VAL 19 LEU 20 LEU 21 GLU 22 CYS 23 GLY 24 GLN 25 ASP 26 MET 27 SER 28 HIS 29 GLU 30 THR 31 MET 32 TYR 33 TRP 34 TYR 35 ARG 36 GLN 37 ASP 38 PRO 39 GLY 40 LEU 41 GLY 42 LEU 43 GLN 44 LEU 45 ILE 46 TYR 47 ILE 48 SER 49 TYR 50 ASP 51 VAL 52 ASP 53 SER 54 ASN 55 SER 56 GLU 57 GLY 58 ASP 59 ILE 60 PRO 61 LYS 62 GLY 63 TYR 64 ARG 65 VAL 66 SER 67 ARG 68 LYS 69 LYS 70 ARG 71 GLU 72 HIS 73 PHE 74 SER 75 LEU 76 ILE 77 LEU 78 ASP 79 SER 80 ALA 81 LYS 82 THR 83 ASN 84 GLN 85 THR 86 SER 87 VAL 88 TYR 89 PHE 90 CYS 91 ALA 92 SER 93 SER 94 LEU 95 GLY 96 HIS 97 THR 98 GLU 99 VAL 100 PHE 101 PHE 102 GLY 103 LYS 104 GLY 105 THR 106 ARG 107 LEU 108 THR 109 VAL 110 VAL 111 GLU 112 ASP 113 LEU 114 ARG 115 ASN 116 VAL 117 THR 118 PRO 119 PRO 120 LYS 121 VAL 122 SER 123 LEU 124 PHE 125 GLU 126 PRO 127 SER 128 LYS 129 ALA 130 GLU 131 ILE 132 ALA 133 ASN 134 LYS 135 GLN 136 LYS 137 ALA 138 THR 139 LEU 140 VAL 141 CYS 142 LEU 143 ALA 144 ARG 145 GLY 146 PHE 147 PHE 148 PRO 149 ASP 150 HIS 151 VAL 152 GLU 153 LEU 154 SER 155 TRP 156 TRP 157 VAL 158 ASN 159 GLY 160 LYS 161 GLU 162 VAL 163 HIS 164 SER 165 GLY 166 VAL 167 CYS 168 THR 169 ASP 170 PRO 171 GLN 172 ALA 173 TYR 174 LYS 175 GLU 176 SER 177 ASN 178 TYR 179 SER 180 TYR 181 ALA 182 LEU 183 SER 184 SER 185 ARG 186 LEU 187 ARG 188 VAL 189 SER 190 ALA 191 THR 192 PHE 193 TRP 194 HIS 195 ASN 196 PRO 197 ARG 198 ASN 199 HIS 200 PHE 201 ARG 202 CYS 203 GLN 204 VAL 205 GLN 206 PHE 207 HIS 208 GLY 209 LEU 210 SER 211 GLU 212 GLU 213 ASP 214 LYS 215 TRP 216 PRO 217 GLU 218 GLY 219 SER 220 PRO 221 LYS 222 PRO 223 VAL 224 THR 225 GLN 226 ASN 227 ILE 228 SER 229 ALA 230 GLU 231 ALA 232 TRP 233 GLY 234 ARG 235 ALA 236 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_B4.2.3_T-cell_receptor_Alpha-chain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common B4.2.3_T-cell_receptor_Alpha-chain _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 204 _Mol_residue_sequence ; MQQVRQSPQSLTVWEGETAI LNCSYENSAFDYFPWYQQFP GEGPALLISILSVSNKKEDG RFTIFFNKREKKLSLHIADS QPGDSATYFCAASASFGDNS KLIWGLGTSLVVNPNIQNPE PAVYQLKDPRSQDSTLCLFT DFDSQINVPKTMEPGTFITD KCVLDMKAMDSKSNGAIAWS NQTSFTCQDIFKETNATYPS SDVP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 GLN 4 VAL 5 ARG 6 GLN 7 SER 8 PRO 9 GLN 10 SER 11 LEU 12 THR 13 VAL 14 TRP 15 GLU 16 GLY 17 GLU 18 THR 19 ALA 20 ILE 21 LEU 22 ASN 23 CYS 24 SER 25 TYR 26 GLU 27 ASN 28 SER 29 ALA 30 PHE 31 ASP 32 TYR 33 PHE 34 PRO 35 TRP 36 TYR 37 GLN 38 GLN 39 PHE 40 PRO 41 GLY 42 GLU 43 GLY 44 PRO 45 ALA 46 LEU 47 LEU 48 ILE 49 SER 50 ILE 51 LEU 52 SER 53 VAL 54 SER 55 ASN 56 LYS 57 LYS 58 GLU 59 ASP 60 GLY 61 ARG 62 PHE 63 THR 64 ILE 65 PHE 66 PHE 67 ASN 68 LYS 69 ARG 70 GLU 71 LYS 72 LYS 73 LEU 74 SER 75 LEU 76 HIS 77 ILE 78 ALA 79 ASP 80 SER 81 GLN 82 PRO 83 GLY 84 ASP 85 SER 86 ALA 87 THR 88 TYR 89 PHE 90 CYS 91 ALA 92 ALA 93 SER 94 ALA 95 SER 96 PHE 97 GLY 98 ASP 99 ASN 100 SER 101 LYS 102 LEU 103 ILE 104 TRP 105 GLY 106 LEU 107 GLY 108 THR 109 SER 110 LEU 111 VAL 112 VAL 113 ASN 114 PRO 115 ASN 116 ILE 117 GLN 118 ASN 119 PRO 120 GLU 121 PRO 122 ALA 123 VAL 124 TYR 125 GLN 126 LEU 127 LYS 128 ASP 129 PRO 130 ARG 131 SER 132 GLN 133 ASP 134 SER 135 THR 136 LEU 137 CYS 138 LEU 139 PHE 140 THR 141 ASP 142 PHE 143 ASP 144 SER 145 GLN 146 ILE 147 ASN 148 VAL 149 PRO 150 LYS 151 THR 152 MET 153 GLU 154 PRO 155 GLY 156 THR 157 PHE 158 ILE 159 THR 160 ASP 161 LYS 162 CYS 163 VAL 164 LEU 165 ASP 166 MET 167 LYS 168 ALA 169 MET 170 ASP 171 SER 172 LYS 173 SER 174 ASN 175 GLY 176 ALA 177 ILE 178 ALA 179 TRP 180 SER 181 ASN 182 GLN 183 THR 184 SER 185 PHE 186 THR 187 CYS 188 GLN 189 ASP 190 ILE 191 PHE 192 LYS 193 GLU 194 THR 195 ASN 196 ALA 197 THR 198 TYR 199 PRO 200 SER 201 SER 202 ASP 203 VAL 204 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $B4.2.3_T-cell_receptor_Beta-chain Mouse 10090 Eukaryota Metazoa Mus musculus 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 $B4.2.3_T-cell_receptor_Beta-chain 'recombinant technology' . Escherichia coli BL21(DE3) pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; U-[13C, 15N, 2H] beta-chain labeled; unlabeled alpha-chain B4.2.3 T-cell receptor 50 mM NaCl, 25 mM HEPES 0.01% NaN3 1U Roche Protease Inhibitor pH 7.3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $B4.2.3_T-cell_receptor_Beta-chain 0.25 mM '[U-13C; U-15N; U-2H]' $B4.2.3_T-cell_receptor_Alpha-chain 0.25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' HEPES 25 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Roche protease inhibitor' 1U na 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; U-[15N, 2H] AILV-methyl {Ala 13Cbeta ; Ile 13Cdelta1 ; Leu 13Cdelta1/13Cdelta2 ; Val 13Cgamma1/13Cgamma2} beta-chain labeled; unlabeled alpha-chain B4.2.3 T-cell receptor 50 mM NaCl, 25 mM HEPES 0.01% NaN3 1U Roche Protease Inhibitor pH 7.3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $B4.2.3_T-cell_receptor_Beta-chain 0.25 mM '[U-15N; U-2H; U-13C-all methyl carbons]' $B4.2.3_T-cell_receptor_Alpha-chain 0.25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' HEPES 25 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Roche protease inhibitor' 1U na 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; U-[13C, 15N, 2H] ILV* {Ile 13C 1 ; Leu 13C 1/13C 2 ; Val 13C 1/13C 2} beta-chain labeled; unlabeled alpha-chain B4.2.3 T-cell receptor 50 mM NaCl, 25 mM HEPES 0.01% NaN3 1U Roche Protease Inhibitor pH 7.3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $B4.2.3_T-cell_receptor_Beta-chain 0.25 mM '[U-15N; U-2H; U-13C; -ILV]' $B4.2.3_T-cell_receptor_Alpha-chain 0.25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' HEPES 25 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'Roche protease inhibitor' 1U na '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' 'peak picking' 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_Bruker800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 800 _Details . save_ save_Varian600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_Bruker900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_Bruker600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_SOFAST_HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C SOFAST HMQC' _Sample_label $sample_2 save_ save_2D_1H-15N_SOFAST_HMQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N SOFAST HMQC' _Sample_label $sample_2 save_ save_3D_Hm-CmHm_SOFAST_NOESY_HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Hm-CmHm SOFAST NOESY HMQC' _Sample_label $sample_2 save_ save_3D_Cm-CmHm_SOFAST_HMQC_NOESY_HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cm-CmHm SOFAST HMQC NOESY HMQC' _Sample_label $sample_2 save_ save_3D_Hn-CmHm_SOFAST_NOESY_HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Hn-CmHm SOFAST NOESY HMQC' _Sample_label $sample_2 save_ save_3D_Cm-NHn_SOFAST_HMQC_NOESY_HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cm-NHn SOFAST HMQC NOESY HMQC' _Sample_label $sample_2 save_ save_3D_HMCM[CG]CBCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCM[CG]CBCA' _Sample_label $sample_3 save_ save_4D-[1H,_13C,_13C,_1H]-HMQC_NOESY_HMQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '4D-[1H, 13C, 13C, 1H]-HMQC NOESY HMQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HN(CA)CB' '3D HNCO' '3D HMCM[CG]CBCA' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Beta-chain _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LYS C C 175.049 0.05 1 2 2 2 LYS CA C 56.078 0.05 1 3 2 2 LYS CB C 33.885 0.05 1 4 3 3 VAL H H 8.379 0.01 1 5 3 3 VAL HG1 H 0.755 0.01 2 6 3 3 VAL HG2 H 0.824 0.01 2 7 3 3 VAL C C 176.169 0.05 1 8 3 3 VAL CA C 61.562 0.05 1 9 3 3 VAL CB C 32.030 0.05 1 10 3 3 VAL CG1 C 21.855 0.05 1 11 3 3 VAL CG2 C 21.576 0.05 1 12 3 3 VAL N N 124.905 0.03 1 13 4 4 THR H H 9.457 0.01 1 14 4 4 THR CA C 61.592 0.05 1 15 4 4 THR CB C 69.613 0.05 1 16 4 4 THR N N 124.330 0.03 1 17 5 5 GLN C C 174.266 0.05 1 18 5 5 GLN CA C 54.394 0.05 1 19 5 5 GLN CB C 32.270 0.05 1 20 6 6 MET H H 8.601 0.01 1 21 6 6 MET CA C 52.348 0.05 1 22 6 6 MET CB C 34.846 0.05 1 23 6 6 MET N N 122.097 0.03 1 24 8 8 ARG C C 175.688 0.05 1 25 8 8 ARG CA C 57.564 0.05 1 26 8 8 ARG CB C 29.209 0.05 1 27 9 9 TYR H H 7.538 0.01 1 28 9 9 TYR C C 174.636 0.05 1 29 9 9 TYR CA C 56.167 0.05 1 30 9 9 TYR CB C 42.135 0.05 1 31 9 9 TYR N N 116.766 0.03 1 32 10 10 LEU H H 8.785 0.01 1 33 10 10 LEU HD1 H 1.032 0.01 2 34 10 10 LEU HD2 H 0.798 0.01 2 35 10 10 LEU C C 173.583 0.05 1 36 10 10 LEU CA C 54.800 0.05 1 37 10 10 LEU CB C 45.666 0.05 1 38 10 10 LEU CG C 25.976 0.05 1 39 10 10 LEU CD1 C 23.422 0.05 1 40 10 10 LEU CD2 C 26.486 0.05 1 41 10 10 LEU N N 122.950 0.03 1 42 11 11 ILE H H 8.531 0.01 1 43 11 11 ILE HD1 H 0.649 0.01 1 44 11 11 ILE C C 175.148 0.05 1 45 11 11 ILE CA C 59.394 0.05 1 46 11 11 ILE CB C 39.739 0.05 1 47 11 11 ILE CG1 C 27.640 0.05 1 48 11 11 ILE CD1 C 15.071 0.05 1 49 11 11 ILE N N 127.508 0.03 1 50 12 12 LYS H H 8.271 0.01 1 51 12 12 LYS C C 174.228 0.05 1 52 12 12 LYS CA C 51.760 0.05 1 53 12 12 LYS CB C 36.042 0.05 1 54 12 12 LYS N N 124.525 0.03 1 55 13 13 ARG H H 9.022 0.01 1 56 13 13 ARG C C 175.491 0.05 1 57 13 13 ARG CA C 54.608 0.05 1 58 13 13 ARG CB C 30.412 0.05 1 59 13 13 ARG N N 123.233 0.03 1 60 14 14 MET H H 8.102 0.01 1 61 14 14 MET C C 176.029 0.05 1 62 14 14 MET CA C 56.679 0.05 1 63 14 14 MET CB C 32.276 0.05 1 64 14 14 MET N N 122.701 0.03 1 65 15 15 GLY H H 9.872 0.01 1 66 15 15 GLY C C 174.819 0.05 1 67 15 15 GLY CA C 44.125 0.05 1 68 15 15 GLY N N 114.606 0.03 1 69 16 16 GLU H H 7.778 0.01 1 70 16 16 GLU C C 175.189 0.05 1 71 16 16 GLU CA C 55.891 0.05 1 72 16 16 GLU CB C 30.524 0.05 1 73 16 16 GLU N N 120.330 0.03 1 74 17 17 ASN H H 8.262 0.01 1 75 17 17 ASN C C 175.001 0.05 1 76 17 17 ASN CA C 52.355 0.05 1 77 17 17 ASN CB C 39.140 0.05 1 78 17 17 ASN N N 118.133 0.03 1 79 18 18 VAL H H 8.794 0.01 1 80 18 18 VAL HG1 H 0.701 0.01 2 81 18 18 VAL HG2 H 0.723 0.01 2 82 18 18 VAL C C 173.241 0.05 1 83 18 18 VAL CA C 60.698 0.05 1 84 18 18 VAL CB C 34.263 0.05 1 85 18 18 VAL CG1 C 22.240 0.05 1 86 18 18 VAL CG2 C 21.845 0.05 1 87 18 18 VAL N N 122.052 0.03 1 88 19 19 LEU H H 8.317 0.01 1 89 19 19 LEU HD1 H 0.801 0.01 2 90 19 19 LEU HD2 H 0.784 0.01 2 91 19 19 LEU C C 174.361 0.05 1 92 19 19 LEU CA C 53.778 0.05 1 93 19 19 LEU CB C 43.629 0.05 1 94 19 19 LEU CG C 26.977 0.05 1 95 19 19 LEU CD1 C 24.211 0.05 1 96 19 19 LEU CD2 C 25.507 0.05 1 97 19 19 LEU N N 130.827 0.03 1 98 20 20 LEU H H 9.035 0.01 1 99 20 20 LEU HD1 H 0.513 0.01 2 100 20 20 LEU HD2 H 0.083 0.01 2 101 20 20 LEU C C 175.717 0.05 1 102 20 20 LEU CA C 53.545 0.05 1 103 20 20 LEU CB C 41.776 0.05 1 104 20 20 LEU CG C 26.653 0.05 1 105 20 20 LEU CD1 C 24.838 0.05 1 106 20 20 LEU CD2 C 25.071 0.05 1 107 20 20 LEU N N 126.427 0.03 1 108 21 21 GLU H H 8.476 0.01 1 109 21 21 GLU C C 175.774 0.05 1 110 21 21 GLU CA C 55.160 0.05 1 111 21 21 GLU CB C 33.278 0.05 1 112 21 21 GLU N N 118.981 0.03 1 113 22 22 CYS H H 8.427 0.01 1 114 22 22 CYS C C 172.103 0.05 1 115 22 22 CYS CA C 53.227 0.05 1 116 22 22 CYS CB C 42.219 0.05 1 117 22 22 CYS N N 121.874 0.03 1 118 23 23 GLY H H 8.914 0.01 1 119 23 23 GLY C C 171.419 0.05 1 120 23 23 GLY N N 114.155 0.03 1 121 24 24 GLN H H 8.284 0.01 1 122 24 24 GLN C C 175.160 0.05 1 123 24 24 GLN CA C 53.824 0.05 1 124 24 24 GLN CB C 28.275 0.05 1 125 24 24 GLN N N 113.681 0.03 1 126 25 25 ASP H H 8.188 0.01 1 127 25 25 ASP CA C 52.374 0.05 1 128 25 25 ASP CB C 39.725 0.05 1 129 25 25 ASP N N 121.623 0.03 1 130 26 26 MET C C 174.812 0.05 1 131 27 27 SER H H 8.653 0.01 1 132 27 27 SER CA C 58.441 0.05 1 133 27 27 SER CB C 60.824 0.05 1 134 27 27 SER N N 113.584 0.03 1 135 29 29 GLU C C 176.160 0.05 1 136 30 30 THR H H 7.780 0.01 1 137 30 30 THR C C 173.852 0.05 1 138 30 30 THR CA C 61.676 0.05 1 139 30 30 THR CB C 68.080 0.05 1 140 30 30 THR N N 118.603 0.03 1 141 31 31 MET H H 8.558 0.01 1 142 31 31 MET C C 172.570 0.05 1 143 31 31 MET CA C 54.342 0.05 1 144 31 31 MET CB C 38.572 0.05 1 145 31 31 MET N N 121.966 0.03 1 146 32 32 TYR H H 8.730 0.01 1 147 32 32 TYR C C 175.341 0.05 1 148 32 32 TYR CA C 56.112 0.05 1 149 32 32 TYR CB C 42.663 0.05 1 150 32 32 TYR N N 115.550 0.03 1 151 33 33 TRP H H 8.087 0.01 1 152 33 33 TRP C C 174.745 0.05 1 153 33 33 TRP CA C 57.049 0.05 1 154 33 33 TRP CB C 33.608 0.05 1 155 33 33 TRP N N 117.100 0.03 1 156 34 34 TYR H H 9.802 0.01 1 157 34 34 TYR C C 176.216 0.05 1 158 34 34 TYR CA C 56.629 0.05 1 159 34 34 TYR CB C 43.300 0.05 1 160 34 34 TYR N N 121.458 0.03 1 161 35 35 ARG H H 9.036 0.01 1 162 35 35 ARG C C 173.783 0.05 1 163 35 35 ARG CA C 54.125 0.05 1 164 35 35 ARG CB C 31.800 0.05 1 165 35 35 ARG N N 117.100 0.03 1 166 36 36 GLN H H 8.713 0.01 1 167 36 36 GLN C C 173.314 0.05 1 168 36 36 GLN CA C 54.169 0.05 1 169 36 36 GLN CB C 31.008 0.05 1 170 36 36 GLN N N 125.033 0.03 1 171 37 37 ASP H H 7.650 0.01 1 172 37 37 ASP CA C 51.162 0.05 1 173 37 37 ASP CB C 42.942 0.05 1 174 37 37 ASP N N 124.541 0.03 1 175 38 38 PRO C C 178.033 0.05 1 176 39 39 GLY H H 8.915 0.01 1 177 39 39 GLY C C 174.126 0.05 1 178 39 39 GLY N N 113.777 0.03 1 179 40 40 LEU H H 7.692 0.01 1 180 40 40 LEU HD1 H 0.920 0.01 2 181 40 40 LEU HD2 H 0.949 0.01 2 182 40 40 LEU C C 177.078 0.05 1 183 40 40 LEU CA C 54.090 0.05 1 184 40 40 LEU CB C 42.899 0.05 1 185 40 40 LEU CG C 26.034 0.05 1 186 40 40 LEU CD1 C 22.701 0.05 1 187 40 40 LEU CD2 C 25.466 0.05 1 188 40 40 LEU N N 120.368 0.03 1 189 41 41 GLY H H 8.035 0.01 1 190 41 41 GLY C C 173.126 0.05 1 191 41 41 GLY CA C 44.901 0.05 1 192 41 41 GLY N N 107.679 0.03 1 193 42 42 LEU H H 8.251 0.01 1 194 42 42 LEU HD1 H -0.613 0.01 2 195 42 42 LEU HD2 H -1.387 0.01 2 196 42 42 LEU C C 176.801 0.05 1 197 42 42 LEU CA C 53.873 0.05 1 198 42 42 LEU CB C 40.784 0.05 1 199 42 42 LEU CG C 25.325 0.05 1 200 42 42 LEU CD1 C 22.769 0.05 1 201 42 42 LEU CD2 C 23.112 0.05 1 202 42 42 LEU N N 122.716 0.03 1 203 43 43 GLN H H 9.122 0.01 1 204 43 43 GLN C C 174.731 0.05 1 205 43 43 GLN CA C 54.294 0.05 1 206 43 43 GLN CB C 32.364 0.05 1 207 43 43 GLN N N 123.356 0.03 1 208 44 44 LEU H H 9.341 0.01 1 209 44 44 LEU HD1 H 0.474 0.01 2 210 44 44 LEU HD2 H 0.958 0.01 2 211 44 44 LEU C C 175.790 0.05 1 212 44 44 LEU CA C 55.082 0.05 1 213 44 44 LEU CB C 41.161 0.05 1 214 44 44 LEU CG C 26.525 0.05 1 215 44 44 LEU CD1 C 22.117 0.05 1 216 44 44 LEU CD2 C 26.066 0.05 1 217 44 44 LEU N N 127.424 0.03 1 218 45 45 ILE H H 9.317 0.01 1 219 45 45 ILE HD1 H 0.331 0.01 1 220 45 45 ILE C C 175.421 0.05 1 221 45 45 ILE CA C 63.693 0.05 1 222 45 45 ILE CB C 38.858 0.05 1 223 45 45 ILE CG1 C 26.885 0.05 1 224 45 45 ILE CD1 C 14.101 0.05 1 225 45 45 ILE N N 131.481 0.03 1 226 46 46 TYR H H 7.298 0.01 1 227 46 46 TYR C C 173.140 0.05 1 228 46 46 TYR CA C 57.764 0.05 1 229 46 46 TYR CB C 48.557 0.05 1 230 46 46 TYR N N 116.533 0.03 1 231 47 47 ILE H H 8.840 0.01 1 232 47 47 ILE HD1 H 0.670 0.01 1 233 47 47 ILE C C 172.485 0.05 1 234 47 47 ILE CA C 59.003 0.05 1 235 47 47 ILE CB C 42.145 0.05 1 236 47 47 ILE CG1 C 27.405 0.05 1 237 47 47 ILE CD1 C 15.485 0.05 1 238 47 47 ILE N N 119.630 0.03 1 239 48 48 SER H H 8.603 0.01 1 240 48 48 SER C C 174.027 0.05 1 241 48 48 SER CA C 55.164 0.05 1 242 48 48 SER CB C 63.653 0.05 1 243 48 48 SER N N 120.069 0.03 1 244 49 49 TYR H H 8.602 0.01 1 245 49 49 TYR C C 174.193 0.05 1 246 49 49 TYR CA C 59.294 0.05 1 247 49 49 TYR CB C 38.921 0.05 1 248 49 49 TYR N N 126.603 0.03 1 249 50 50 ASP H H 7.854 0.01 1 250 50 50 ASP C C 175.119 0.05 1 251 50 50 ASP CA C 51.489 0.05 1 252 50 50 ASP CB C 40.616 0.05 1 253 50 50 ASP N N 111.210 0.03 1 254 51 51 VAL H H 9.426 0.01 1 255 51 51 VAL HG1 H 0.887 0.01 2 256 51 51 VAL HG2 H 0.748 0.01 2 257 51 51 VAL C C 177.079 0.05 1 258 51 51 VAL CA C 63.661 0.05 1 259 51 51 VAL CB C 31.078 0.05 1 260 51 51 VAL CG1 C 20.375 0.05 1 261 51 51 VAL CG2 C 21.848 0.05 1 262 51 51 VAL N N 120.416 0.03 1 263 52 52 ASP H H 8.963 0.01 1 264 52 52 ASP C C 174.212 0.05 1 265 52 52 ASP CA C 55.942 0.05 1 266 52 52 ASP CB C 39.589 0.05 1 267 52 52 ASP N N 121.897 0.03 1 268 53 53 SER H H 7.611 0.01 1 269 53 53 SER C C 172.108 0.05 1 270 53 53 SER CA C 55.741 0.05 1 271 53 53 SER CB C 61.844 0.05 1 272 53 53 SER N N 114.970 0.03 1 273 54 54 ASN H H 8.681 0.01 1 274 54 54 ASN C C 175.013 0.05 1 275 54 54 ASN CA C 51.523 0.05 1 276 54 54 ASN CB C 40.742 0.05 1 277 54 54 ASN N N 121.929 0.03 1 278 55 55 SER H H 9.553 0.01 1 279 55 55 SER C C 172.291 0.05 1 280 55 55 SER CA C 57.227 0.05 1 281 55 55 SER CB C 65.137 0.05 1 282 55 55 SER N N 117.959 0.03 1 283 56 56 GLU H H 8.878 0.01 1 284 56 56 GLU C C 176.749 0.05 1 285 56 56 GLU CA C 57.794 0.05 1 286 56 56 GLU CB C 29.805 0.05 1 287 56 56 GLU N N 125.864 0.03 1 288 57 57 GLY H H 7.187 0.01 1 289 57 57 GLY C C 172.371 0.05 1 290 57 57 GLY CA C 42.726 0.05 1 291 57 57 GLY N N 108.200 0.03 1 292 58 58 ASP H H 7.691 0.01 1 293 58 58 ASP C C 177.344 0.05 1 294 58 58 ASP CA C 56.532 0.05 1 295 58 58 ASP CB C 41.496 0.05 1 296 58 58 ASP N N 121.647 0.03 1 297 59 59 ILE H H 7.492 0.01 1 298 59 59 ILE HD1 H 0.873 0.01 1 299 59 59 ILE CA C 57.984 0.05 1 300 59 59 ILE CB C 38.689 0.05 1 301 59 59 ILE CG1 C 27.045 0.05 1 302 59 59 ILE CD1 C 15.967 0.05 1 303 59 59 ILE N N 110.796 0.03 1 304 60 60 PRO C C 177.310 0.05 1 305 60 60 PRO CA C 64.573 0.05 1 306 61 61 LYS H H 7.814 0.01 1 307 61 61 LYS CA C 58.493 0.05 1 308 61 61 LYS CB C 31.316 0.05 1 309 61 61 LYS N N 120.546 0.03 1 310 62 62 GLY C C 173.013 0.05 1 311 62 62 GLY CA C 44.379 0.05 1 312 63 63 TYR H H 8.259 0.01 1 313 63 63 TYR C C 174.178 0.05 1 314 63 63 TYR CA C 56.271 0.05 1 315 63 63 TYR CB C 41.621 0.05 1 316 63 63 TYR N N 118.721 0.03 1 317 64 64 ARG H H 8.835 0.01 1 318 64 64 ARG C C 173.288 0.05 1 319 64 64 ARG CA C 54.670 0.05 1 320 64 64 ARG CB C 32.801 0.05 1 321 64 64 ARG N N 119.172 0.03 1 322 65 65 VAL H H 7.943 0.01 1 323 65 65 VAL HG1 H 0.294 0.01 2 324 65 65 VAL HG2 H 0.234 0.01 2 325 65 65 VAL C C 175.746 0.05 1 326 65 65 VAL CA C 57.929 0.05 1 327 65 65 VAL CB C 35.421 0.05 1 328 65 65 VAL CG1 C 22.210 0.05 1 329 65 65 VAL CG2 C 16.954 0.05 1 330 65 65 VAL N N 109.530 0.03 1 331 66 66 SER H H 7.874 0.01 1 332 66 66 SER CA C 57.238 0.05 1 333 66 66 SER CB C 63.854 0.05 1 334 66 66 SER N N 112.295 0.03 1 335 69 69 LYS C C 176.221 0.05 1 336 70 70 ARG H H 9.159 0.01 1 337 70 70 ARG C C 178.568 0.05 1 338 70 70 ARG CB C 29.763 0.05 1 339 70 70 ARG N N 121.748 0.03 1 340 71 71 GLU H H 9.381 0.01 1 341 71 71 GLU C C 174.982 0.05 1 342 71 71 GLU CA C 57.857 0.05 1 343 71 71 GLU CB C 28.737 0.05 1 344 71 71 GLU N N 114.058 0.03 1 345 72 72 HIS H H 7.199 0.01 1 346 72 72 HIS C C 173.945 0.05 1 347 72 72 HIS CA C 54.710 0.05 1 348 72 72 HIS CB C 35.246 0.05 1 349 72 72 HIS N N 117.963 0.03 1 350 73 73 PHE H H 8.894 0.01 1 351 73 73 PHE C C 174.492 0.05 1 352 73 73 PHE CA C 53.250 0.05 1 353 73 73 PHE CB C 40.841 0.05 1 354 73 73 PHE N N 124.347 0.03 1 355 74 74 SER H H 8.815 0.01 1 356 74 74 SER C C 171.668 0.05 1 357 74 74 SER CA C 57.499 0.05 1 358 74 74 SER CB C 64.212 0.05 1 359 74 74 SER N N 122.755 0.03 1 360 75 75 LEU H H 8.583 0.01 1 361 75 75 LEU HD1 H 0.311 0.01 2 362 75 75 LEU HD2 H -0.231 0.01 2 363 75 75 LEU C C 173.265 0.05 1 364 75 75 LEU CA C 53.204 0.05 1 365 75 75 LEU CB C 40.399 0.05 1 366 75 75 LEU CG C 25.159 0.05 1 367 75 75 LEU CD1 C 22.658 0.05 1 368 75 75 LEU CD2 C 26.383 0.05 1 369 75 75 LEU N N 126.237 0.03 1 370 76 76 ILE H H 8.738 0.01 1 371 76 76 ILE HD1 H 0.529 0.01 1 372 76 76 ILE C C 175.157 0.05 1 373 76 76 ILE CA C 59.918 0.05 1 374 76 76 ILE CB C 40.431 0.05 1 375 76 76 ILE CG1 C 27.459 0.05 1 376 76 76 ILE CD1 C 14.533 0.05 1 377 76 76 ILE N N 125.507 0.03 1 378 77 77 LEU H H 8.719 0.01 1 379 77 77 LEU HD1 H 0.457 0.01 2 380 77 77 LEU HD2 H 0.530 0.01 2 381 77 77 LEU C C 175.314 0.05 1 382 77 77 LEU CA C 54.002 0.05 1 383 77 77 LEU CB C 40.003 0.05 1 384 77 77 LEU CG C 28.128 0.05 1 385 77 77 LEU CD1 C 22.687 0.05 1 386 77 77 LEU CD2 C 27.958 0.05 1 387 77 77 LEU N N 129.866 0.03 1 388 78 78 ASP H H 8.361 0.01 1 389 78 78 ASP C C 176.300 0.05 1 390 78 78 ASP CA C 56.338 0.05 1 391 78 78 ASP CB C 41.051 0.05 1 392 78 78 ASP N N 122.543 0.03 1 393 79 79 SER H H 7.826 0.01 1 394 79 79 SER C C 173.506 0.05 1 395 79 79 SER CA C 55.797 0.05 1 396 79 79 SER CB C 60.867 0.05 1 397 79 79 SER N N 112.619 0.03 1 398 80 80 ALA H H 8.572 0.01 1 399 80 80 ALA HB H 1.224 0.01 1 400 80 80 ALA C C 177.761 0.05 1 401 80 80 ALA CA C 53.060 0.05 1 402 80 80 ALA CB C 18.131 0.05 1 403 80 80 ALA N N 127.197 0.03 1 404 81 81 LYS H H 8.903 0.01 1 405 81 81 LYS C C 178.724 0.05 1 406 81 81 LYS CA C 53.586 0.05 1 407 81 81 LYS CB C 34.292 0.05 1 408 81 81 LYS N N 122.405 0.03 1 409 82 82 THR H H 8.962 0.01 1 410 82 82 THR CA C 65.398 0.05 1 411 82 82 THR CB C 67.111 0.05 1 412 82 82 THR N N 114.824 0.03 1 413 83 83 ASN C C 176.065 0.05 1 414 84 84 GLN H H 8.134 0.01 1 415 84 84 GLN C C 176.749 0.05 1 416 84 84 GLN CA C 55.669 0.05 1 417 84 84 GLN CB C 27.774 0.05 1 418 84 84 GLN N N 116.844 0.03 1 419 85 85 THR H H 7.727 0.01 1 420 85 85 THR C C 173.499 0.05 1 421 85 85 THR CA C 63.885 0.05 1 422 85 85 THR CB C 69.963 0.05 1 423 85 85 THR N N 123.243 0.03 1 424 86 86 SER H H 8.844 0.01 1 425 86 86 SER C C 174.105 0.05 1 426 86 86 SER CA C 57.780 0.05 1 427 86 86 SER CB C 60.093 0.05 1 428 86 86 SER N N 122.978 0.03 1 429 87 87 VAL H H 8.256 0.01 1 430 87 87 VAL HG1 H 0.829 0.01 2 431 87 87 VAL HG2 H 0.321 0.01 2 432 87 87 VAL C C 173.997 0.05 1 433 87 87 VAL CA C 61.096 0.05 1 434 87 87 VAL CB C 31.816 0.05 1 435 87 87 VAL CG1 C 21.654 0.05 1 436 87 87 VAL CG2 C 21.667 0.05 1 437 87 87 VAL N N 119.775 0.03 1 438 88 88 TYR H H 8.792 0.01 1 439 88 88 TYR C C 176.761 0.05 1 440 88 88 TYR CA C 56.264 0.05 1 441 88 88 TYR CB C 40.571 0.05 1 442 88 88 TYR N N 122.964 0.03 1 443 89 89 PHE H H 9.621 0.01 1 444 89 89 PHE C C 173.164 0.05 1 445 89 89 PHE CA C 57.957 0.05 1 446 89 89 PHE CB C 42.743 0.05 1 447 89 89 PHE N N 122.446 0.03 1 448 90 90 CYS H H 8.104 0.01 1 449 90 90 CYS C C 171.545 0.05 1 450 90 90 CYS CA C 51.566 0.05 1 451 90 90 CYS CB C 42.675 0.05 1 452 90 90 CYS N N 123.970 0.03 1 453 91 91 ALA H H 8.501 0.01 1 454 91 91 ALA HB H 1.614 0.01 1 455 91 91 ALA C C 175.448 0.05 1 456 91 91 ALA CA C 49.596 0.05 1 457 91 91 ALA CB C 22.273 0.05 1 458 91 91 ALA N N 128.639 0.03 1 459 92 92 SER H H 9.181 0.01 1 460 92 92 SER CA C 57.764 0.05 1 461 92 92 SER CB C 66.367 0.05 1 462 92 92 SER N N 115.491 0.03 1 463 93 93 SER C C 171.477 0.05 1 464 93 93 SER CA C 57.841 0.05 1 465 93 93 SER CB C 66.432 0.05 1 466 94 94 LEU H H 8.211 0.01 1 467 94 94 LEU HD1 H 0.939 0.01 2 468 94 94 LEU HD2 H 0.986 0.01 2 469 94 94 LEU CA C 53.738 0.05 1 470 94 94 LEU CB C 40.951 0.05 1 471 94 94 LEU CG C 26.284 0.05 1 472 94 94 LEU CD1 C 25.077 0.05 1 473 94 94 LEU CD2 C 24.401 0.05 1 474 94 94 LEU N N 122.139 0.03 1 475 99 99 VAL HG1 H 0.669 0.01 2 476 99 99 VAL HG2 H 0.014 0.01 2 477 99 99 VAL C C 174.840 0.05 1 478 99 99 VAL CG1 C 21.430 0.05 1 479 99 99 VAL CG2 C 23.581 0.05 1 480 100 100 PHE H H 9.332 0.01 1 481 100 100 PHE C C 174.642 0.05 1 482 100 100 PHE CA C 57.010 0.05 1 483 100 100 PHE CB C 39.609 0.05 1 484 100 100 PHE N N 128.431 0.03 1 485 101 101 PHE H H 9.163 0.01 1 486 101 101 PHE C C 178.711 0.05 1 487 101 101 PHE CA C 57.371 0.05 1 488 101 101 PHE CB C 41.818 0.05 1 489 101 101 PHE N N 120.289 0.03 1 490 102 102 GLY H H 9.028 0.01 1 491 102 102 GLY C C 172.344 0.05 1 492 102 102 GLY CA C 43.880 0.05 1 493 102 102 GLY N N 108.085 0.03 1 494 103 103 LYS H H 8.355 0.01 1 495 103 103 LYS C C 177.008 0.05 1 496 103 103 LYS CA C 56.979 0.05 1 497 103 103 LYS CB C 32.583 0.05 1 498 103 103 LYS N N 113.819 0.03 1 499 104 104 GLY H H 6.819 0.01 1 500 104 104 GLY C C 173.098 0.05 1 501 104 104 GLY CA C 43.956 0.05 1 502 104 104 GLY N N 103.224 0.03 1 503 105 105 THR H H 8.206 0.01 1 504 105 105 THR C C 173.305 0.05 1 505 105 105 THR CA C 61.244 0.05 1 506 105 105 THR N N 119.454 0.03 1 507 106 106 ARG H H 8.034 0.01 1 508 106 106 ARG C C 172.015 0.05 1 509 106 106 ARG CA C 55.167 0.05 1 510 106 106 ARG CB C 28.677 0.05 1 511 106 106 ARG N N 129.118 0.03 1 512 107 107 LEU H H 8.328 0.01 1 513 107 107 LEU HD1 H 0.679 0.01 2 514 107 107 LEU HD2 H 0.631 0.01 2 515 107 107 LEU C C 175.654 0.05 1 516 107 107 LEU CA C 52.403 0.05 1 517 107 107 LEU CB C 43.893 0.05 1 518 107 107 LEU CG C 27.543 0.05 1 519 107 107 LEU CD1 C 23.798 0.05 1 520 107 107 LEU CD2 C 26.614 0.05 1 521 107 107 LEU N N 128.903 0.03 1 522 108 108 THR H H 8.947 0.01 1 523 108 108 THR C C 172.118 0.05 1 524 108 108 THR CA C 62.376 0.05 1 525 108 108 THR CB C 68.781 0.05 1 526 108 108 THR N N 124.132 0.03 1 527 109 109 VAL H H 8.598 0.01 1 528 109 109 VAL HG1 H 0.619 0.01 2 529 109 109 VAL HG2 H 0.411 0.01 2 530 109 109 VAL C C 175.730 0.05 1 531 109 109 VAL CA C 59.619 0.05 1 532 109 109 VAL CB C 31.623 0.05 1 533 109 109 VAL CG1 C 19.926 0.05 1 534 109 109 VAL CG2 C 20.041 0.05 1 535 109 109 VAL N N 129.537 0.03 1 536 110 110 VAL H H 8.482 0.01 1 537 110 110 VAL HG1 H 0.718 0.01 2 538 110 110 VAL HG2 H 1.005 0.01 2 539 110 110 VAL C C 175.627 0.05 1 540 110 110 VAL CA C 58.134 0.05 1 541 110 110 VAL CB C 33.427 0.05 1 542 110 110 VAL CG1 C 19.405 0.05 1 543 110 110 VAL CG2 C 22.503 0.05 1 544 110 110 VAL N N 118.840 0.03 1 545 111 111 GLU H H 9.055 0.01 1 546 111 111 GLU C C 176.338 0.05 1 547 111 111 GLU CA C 58.783 0.05 1 548 111 111 GLU CB C 29.142 0.05 1 549 111 111 GLU N N 122.688 0.03 1 550 112 112 ASP H H 7.726 0.01 1 551 112 112 ASP C C 176.567 0.05 1 552 112 112 ASP CA C 52.669 0.05 1 553 112 112 ASP CB C 42.611 0.05 1 554 112 112 ASP N N 116.271 0.03 1 555 113 113 LEU H H 8.951 0.01 1 556 113 113 LEU HD1 H 0.909 0.01 2 557 113 113 LEU HD2 H 1.181 0.01 2 558 113 113 LEU C C 177.724 0.05 1 559 113 113 LEU CA C 56.778 0.05 1 560 113 113 LEU CB C 41.000 0.05 1 561 113 113 LEU CG C 26.224 0.05 1 562 113 113 LEU CD1 C 22.374 0.05 1 563 113 113 LEU CD2 C 25.479 0.05 1 564 113 113 LEU N N 125.584 0.03 1 565 114 114 ARG H H 8.460 0.01 1 566 114 114 ARG C C 177.002 0.05 1 567 114 114 ARG CA C 57.723 0.05 1 568 114 114 ARG CB C 28.665 0.05 1 569 114 114 ARG N N 115.255 0.03 1 570 115 115 ASN H H 7.417 0.01 1 571 115 115 ASN C C 175.854 0.05 1 572 115 115 ASN CA C 54.253 0.05 1 573 115 115 ASN CB C 38.949 0.05 1 574 115 115 ASN N N 113.209 0.03 1 575 116 116 VAL H H 8.158 0.01 1 576 116 116 VAL HG1 H 1.367 0.01 2 577 116 116 VAL HG2 H 1.321 0.01 2 578 116 116 VAL C C 174.844 0.05 1 579 116 116 VAL CA C 64.002 0.05 1 580 116 116 VAL CB C 29.942 0.05 1 581 116 116 VAL CG1 C 21.370 0.05 1 582 116 116 VAL CG2 C 22.979 0.05 1 583 116 116 VAL N N 123.245 0.03 1 584 117 117 THR H H 9.385 0.01 1 585 117 117 THR CA C 58.700 0.05 1 586 117 117 THR CB C 72.416 0.05 1 587 117 117 THR N N 123.483 0.03 1 588 119 119 PRO C C 175.456 0.05 1 589 119 119 PRO CA C 61.873 0.05 1 590 120 120 LYS H H 8.609 0.01 1 591 120 120 LYS C C 176.528 0.05 1 592 120 120 LYS CA C 55.493 0.05 1 593 120 120 LYS CB C 31.628 0.05 1 594 120 120 LYS N N 119.658 0.03 1 595 121 121 VAL H H 8.671 0.01 1 596 121 121 VAL HG1 H 0.644 0.01 2 597 121 121 VAL HG2 H 0.617 0.01 2 598 121 121 VAL C C 174.349 0.05 1 599 121 121 VAL CB C 33.397 0.05 1 600 121 121 VAL CG1 C 21.348 0.05 1 601 121 121 VAL CG2 C 22.022 0.05 1 602 121 121 VAL N N 126.391 0.03 1 603 122 122 SER H H 8.740 0.01 1 604 122 122 SER C C 170.000 0.05 1 605 122 122 SER CA C 57.148 0.05 1 606 122 122 SER CB C 65.883 0.05 1 607 122 122 SER N N 123.674 0.03 1 608 123 123 LEU H H 8.484 0.01 1 609 123 123 LEU HD1 H 0.980 0.01 2 610 123 123 LEU HD2 H 0.780 0.01 2 611 123 123 LEU C C 173.549 0.05 1 612 123 123 LEU CA C 53.254 0.05 1 613 123 123 LEU CB C 44.066 0.05 1 614 123 123 LEU CG C 26.668 0.05 1 615 123 123 LEU CD1 C 25.482 0.05 1 616 123 123 LEU CD2 C 25.882 0.05 1 617 123 123 LEU N N 126.709 0.03 1 618 124 124 PHE H H 9.513 0.01 1 619 124 124 PHE C C 175.142 0.05 1 620 124 124 PHE CA C 57.065 0.05 1 621 124 124 PHE CB C 39.463 0.05 1 622 124 124 PHE N N 125.254 0.03 1 623 125 125 GLU H H 7.795 0.01 1 624 125 125 GLU CA C 54.324 0.05 1 625 125 125 GLU CB C 28.519 0.05 1 626 125 125 GLU N N 121.398 0.03 1 627 126 126 PRO C C 176.551 0.05 1 628 126 126 PRO CA C 61.540 0.05 1 629 127 127 SER H H 9.346 0.01 1 630 127 127 SER C C 177.038 0.05 1 631 127 127 SER CA C 56.631 0.05 1 632 127 127 SER CB C 62.660 0.05 1 633 127 127 SER N N 116.415 0.03 1 634 128 128 LYS H H 9.084 0.01 1 635 128 128 LYS CA C 59.265 0.05 1 636 128 128 LYS CB C 31.458 0.05 1 637 128 128 LYS N N 129.089 0.03 1 638 129 129 ALA HB H 1.567 0.01 1 639 129 129 ALA C C 178.932 0.05 1 640 130 130 GLU H H 6.578 0.01 1 641 130 130 GLU C C 179.100 0.05 1 642 130 130 GLU CA C 58.713 0.05 1 643 130 130 GLU CB C 27.916 0.05 1 644 130 130 GLU N N 123.445 0.03 1 645 131 131 ILE H H 7.405 0.01 1 646 131 131 ILE HD1 H 0.700 0.01 1 647 131 131 ILE C C 179.437 0.05 1 648 131 131 ILE CA C 64.955 0.05 1 649 131 131 ILE CB C 37.968 0.05 1 650 131 131 ILE CD1 C 14.851 0.05 1 651 131 131 ILE N N 120.709 0.03 1 652 132 132 ALA H H 8.071 0.01 1 653 132 132 ALA HB H 1.529 0.01 1 654 132 132 ALA C C 179.217 0.05 1 655 132 132 ALA CA C 54.446 0.05 1 656 132 132 ALA CB C 18.078 0.05 1 657 132 132 ALA N N 120.409 0.03 1 658 133 133 ASN H H 8.066 0.01 1 659 133 133 ASN C C 176.958 0.05 1 660 133 133 ASN CA C 54.786 0.05 1 661 133 133 ASN CB C 39.128 0.05 1 662 133 133 ASN N N 112.795 0.03 1 663 134 134 LYS H H 8.627 0.01 1 664 134 134 LYS C C 176.044 0.05 1 665 134 134 LYS CA C 55.098 0.05 1 666 134 134 LYS CB C 33.312 0.05 1 667 134 134 LYS N N 116.428 0.03 1 668 135 135 GLN H H 7.766 0.01 1 669 135 135 GLN C C 175.111 0.05 1 670 135 135 GLN CA C 57.550 0.05 1 671 135 135 GLN CB C 24.495 0.05 1 672 135 135 GLN N N 113.282 0.03 1 673 136 136 LYS H H 7.123 0.01 1 674 136 136 LYS CA C 54.299 0.05 1 675 136 136 LYS CB C 37.964 0.05 1 676 136 136 LYS N N 118.404 0.03 1 677 137 137 ALA HB H 0.555 0.01 1 678 137 137 ALA C C 174.474 0.05 1 679 137 137 ALA CA C 49.776 0.05 1 680 137 137 ALA CB C 20.672 0.05 1 681 138 138 THR H H 9.614 0.01 1 682 138 138 THR C C 173.789 0.05 1 683 138 138 THR CA C 61.675 0.05 1 684 138 138 THR CB C 66.495 0.05 1 685 138 138 THR N N 122.738 0.03 1 686 139 139 LEU H H 8.908 0.01 1 687 139 139 LEU HD1 H 0.482 0.01 2 688 139 139 LEU HD2 H 0.237 0.01 2 689 139 139 LEU C C 176.296 0.05 1 690 139 139 LEU CA C 55.090 0.05 1 691 139 139 LEU CB C 43.202 0.05 1 692 139 139 LEU CG C 29.121 0.05 1 693 139 139 LEU CD1 C 26.936 0.05 1 694 139 139 LEU CD2 C 24.477 0.05 1 695 139 139 LEU N N 126.781 0.03 1 696 140 140 VAL H H 7.830 0.01 1 697 140 140 VAL HG1 H 0.970 0.01 2 698 140 140 VAL HG2 H 0.792 0.01 2 699 140 140 VAL C C 173.447 0.05 1 700 140 140 VAL CA C 60.347 0.05 1 701 140 140 VAL CB C 34.301 0.05 1 702 140 140 VAL CG1 C 21.923 0.05 1 703 140 140 VAL CG2 C 22.430 0.05 1 704 140 140 VAL N N 117.738 0.03 1 705 141 141 CYS H H 9.675 0.01 1 706 141 141 CYS C C 171.330 0.05 1 707 141 141 CYS CA C 52.472 0.05 1 708 141 141 CYS CB C 42.959 0.05 1 709 141 141 CYS N N 128.313 0.03 1 710 142 142 LEU H H 8.980 0.01 1 711 142 142 LEU HD1 H -0.049 0.01 2 712 142 142 LEU HD2 H 0.042 0.01 2 713 142 142 LEU C C 173.707 0.05 1 714 142 142 LEU CA C 52.915 0.05 1 715 142 142 LEU CB C 45.554 0.05 1 716 142 142 LEU CG C 26.180 0.05 1 717 142 142 LEU CD1 C 21.895 0.05 1 718 142 142 LEU CD2 C 24.889 0.05 1 719 142 142 LEU N N 127.224 0.03 1 720 143 143 ALA H H 9.198 0.01 1 721 143 143 ALA HB H 1.244 0.01 1 722 143 143 ALA C C 175.745 0.05 1 723 143 143 ALA CA C 48.668 0.05 1 724 143 143 ALA CB C 20.256 0.05 1 725 143 143 ALA N N 130.651 0.03 1 726 144 144 ARG H H 8.970 0.01 1 727 144 144 ARG C C 176.154 0.05 1 728 144 144 ARG CA C 55.079 0.05 1 729 144 144 ARG CB C 34.172 0.05 1 730 144 144 ARG N N 119.390 0.03 1 731 145 145 GLY H H 8.103 0.01 1 732 145 145 GLY C C 174.226 0.05 1 733 145 145 GLY CA C 46.044 0.05 1 734 145 145 GLY N N 108.995 0.03 1 735 146 146 PHE H H 7.242 0.01 1 736 146 146 PHE C C 174.080 0.05 1 737 146 146 PHE CA C 53.159 0.05 1 738 146 146 PHE CB C 40.985 0.05 1 739 146 146 PHE N N 112.273 0.03 1 740 147 147 PHE H H 9.201 0.01 1 741 147 147 PHE CA C 57.411 0.05 1 742 147 147 PHE CB C 41.490 0.05 1 743 147 147 PHE N N 119.936 0.03 1 744 148 148 PRO C C 173.964 0.05 1 745 148 148 PRO CA C 62.378 0.05 1 746 148 148 PRO CB C 32.298 0.05 1 747 149 149 ASP H H 8.500 0.01 1 748 149 149 ASP C C 175.470 0.05 1 749 149 149 ASP CA C 53.391 0.05 1 750 149 149 ASP N N 116.155 0.03 1 751 150 150 HIS H H 7.506 0.01 1 752 150 150 HIS C C 173.146 0.05 1 753 150 150 HIS CA C 52.096 0.05 1 754 150 150 HIS CB C 28.672 0.05 1 755 150 150 HIS N N 123.545 0.03 1 756 151 151 VAL H H 7.393 0.01 1 757 151 151 VAL HG1 H 0.228 0.01 2 758 151 151 VAL HG2 H 0.270 0.01 2 759 151 151 VAL C C 174.833 0.05 1 760 151 151 VAL CA C 58.080 0.05 1 761 151 151 VAL CB C 35.073 0.05 1 762 151 151 VAL CG1 C 22.127 0.05 1 763 151 151 VAL CG2 C 20.350 0.05 1 764 151 151 VAL N N 113.308 0.03 1 765 152 152 GLU H H 8.247 0.01 1 766 152 152 GLU C C 174.415 0.05 1 767 152 152 GLU CA C 54.679 0.05 1 768 152 152 GLU CB C 33.255 0.05 1 769 152 152 GLU N N 120.104 0.03 1 770 153 153 LEU H H 9.340 0.01 1 771 153 153 LEU HD1 H 0.537 0.01 2 772 153 153 LEU HD2 H 0.423 0.01 2 773 153 153 LEU C C 175.699 0.05 1 774 153 153 LEU CA C 54.686 0.05 1 775 153 153 LEU CB C 44.803 0.05 1 776 153 153 LEU CG C 27.269 0.05 1 777 153 153 LEU CD1 C 27.024 0.05 1 778 153 153 LEU CD2 C 23.736 0.05 1 779 153 153 LEU N N 131.096 0.03 1 780 154 154 SER H H 9.762 0.01 1 781 154 154 SER C C 171.383 0.05 1 782 154 154 SER CA C 56.638 0.05 1 783 154 154 SER CB C 66.188 0.05 1 784 154 154 SER N N 122.433 0.03 1 785 155 155 TRP H H 8.888 0.01 1 786 155 155 TRP C C 175.363 0.05 1 787 155 155 TRP CA C 56.179 0.05 1 788 155 155 TRP CB C 32.109 0.05 1 789 155 155 TRP N N 120.901 0.03 1 790 156 156 TRP H H 9.424 0.01 1 791 156 156 TRP C C 176.834 0.05 1 792 156 156 TRP CA C 54.978 0.05 1 793 156 156 TRP CB C 29.755 0.05 1 794 156 156 TRP N N 121.135 0.03 1 795 157 157 VAL H H 9.207 0.01 1 796 157 157 VAL HG1 H 0.842 0.01 2 797 157 157 VAL HG2 H 1.003 0.01 2 798 157 157 VAL C C 176.532 0.05 1 799 157 157 VAL CA C 59.970 0.05 1 800 157 157 VAL CB C 32.516 0.05 1 801 157 157 VAL CG1 C 20.923 0.05 1 802 157 157 VAL CG2 C 22.063 0.05 1 803 157 157 VAL N N 127.273 0.03 1 804 158 158 ASN H H 9.719 0.01 1 805 158 158 ASN C C 175.890 0.05 1 806 158 158 ASN CA C 54.440 0.05 1 807 158 158 ASN CB C 36.288 0.05 1 808 158 158 ASN N N 128.904 0.03 1 809 159 159 GLY H H 8.982 0.01 1 810 159 159 GLY C C 173.637 0.05 1 811 159 159 GLY CA C 45.301 0.05 1 812 159 159 GLY N N 102.558 0.03 1 813 160 160 LYS H H 7.774 0.01 1 814 160 160 LYS C C 174.133 0.05 1 815 160 160 LYS CA C 54.026 0.05 1 816 160 160 LYS CB C 34.283 0.05 1 817 160 160 LYS N N 121.051 0.03 1 818 161 161 GLU H H 8.105 0.01 1 819 161 161 GLU C C 176.816 0.05 1 820 161 161 GLU CA C 55.957 0.05 1 821 161 161 GLU CB C 27.922 0.05 1 822 161 161 GLU N N 127.735 0.03 1 823 162 162 VAL H H 8.021 0.01 1 824 162 162 VAL HG1 H 0.876 0.01 2 825 162 162 VAL HG2 H 0.796 0.01 2 826 162 162 VAL CA C 60.360 0.05 1 827 162 162 VAL CB C 33.781 0.05 1 828 162 162 VAL CG1 C 22.436 0.05 1 829 162 162 VAL CG2 C 20.753 0.05 1 830 162 162 VAL N N 123.319 0.03 1 831 165 165 GLY C C 171.024 0.05 1 832 165 165 GLY CA C 45.912 0.05 1 833 166 166 VAL H H 6.948 0.01 1 834 166 166 VAL HG1 H 0.915 0.01 2 835 166 166 VAL HG2 H 0.561 0.01 2 836 166 166 VAL C C 177.787 0.05 1 837 166 166 VAL CA C 59.258 0.05 1 838 166 166 VAL CB C 34.838 0.05 1 839 166 166 VAL CG1 C 22.188 0.05 1 840 166 166 VAL CG2 C 21.609 0.05 1 841 166 166 VAL N N 115.029 0.03 1 842 167 167 CYS H H 8.721 0.01 1 843 167 167 CYS C C 173.058 0.05 1 844 167 167 CYS CA C 59.581 0.05 1 845 167 167 CYS CB C 40.196 0.05 1 846 167 167 CYS N N 126.215 0.03 1 847 168 168 THR H H 9.360 0.01 1 848 168 168 THR C C 172.568 0.05 1 849 168 168 THR CA C 60.524 0.05 1 850 168 168 THR CB C 69.930 0.05 1 851 168 168 THR N N 130.729 0.03 1 852 169 169 ASP H H 8.555 0.01 1 853 169 169 ASP CA C 54.326 0.05 1 854 169 169 ASP CB C 41.198 0.05 1 855 169 169 ASP N N 129.463 0.03 1 856 170 170 PRO C C 176.249 0.05 1 857 170 170 PRO CA C 63.619 0.05 1 858 171 171 GLN H H 7.412 0.01 1 859 171 171 GLN C C 173.578 0.05 1 860 171 171 GLN CA C 53.584 0.05 1 861 171 171 GLN CB C 31.060 0.05 1 862 171 171 GLN N N 114.578 0.03 1 863 172 172 ALA H H 8.832 0.01 1 864 172 172 ALA HB H 1.603 0.01 1 865 172 172 ALA C C 176.695 0.05 1 866 172 172 ALA CA C 51.864 0.05 1 867 172 172 ALA CB C 19.156 0.05 1 868 172 172 ALA N N 124.120 0.03 1 869 173 173 TYR H H 9.474 0.01 1 870 173 173 TYR C C 175.570 0.05 1 871 173 173 TYR CA C 56.745 0.05 1 872 173 173 TYR CB C 39.922 0.05 1 873 173 173 TYR N N 122.971 0.03 1 874 174 174 LYS H H 8.782 0.01 1 875 174 174 LYS C C 175.904 0.05 1 876 174 174 LYS CB C 31.250 0.05 1 877 174 174 LYS N N 125.293 0.03 1 878 175 175 GLU H H 8.583 0.01 1 879 175 175 GLU C C 176.521 0.05 1 880 175 175 GLU CA C 57.329 0.05 1 881 175 175 GLU CB C 30.761 0.05 1 882 175 175 GLU N N 127.976 0.03 1 883 176 176 SER H H 8.117 0.01 1 884 176 176 SER CA C 56.812 0.05 1 885 176 176 SER CB C 62.844 0.05 1 886 176 176 SER N N 112.384 0.03 1 887 177 177 ASN C C 174.805 0.05 1 888 178 178 TYR H H 7.869 0.01 1 889 178 178 TYR C C 174.007 0.05 1 890 178 178 TYR CA C 55.075 0.05 1 891 178 178 TYR CB C 37.242 0.05 1 892 178 178 TYR N N 113.303 0.03 1 893 179 179 SER H H 6.879 0.01 1 894 179 179 SER C C 172.348 0.05 1 895 179 179 SER CA C 58.443 0.05 1 896 179 179 SER CB C 63.945 0.05 1 897 179 179 SER N N 112.362 0.03 1 898 180 180 TYR H H 8.749 0.01 1 899 180 180 TYR C C 172.862 0.05 1 900 180 180 TYR CA C 56.839 0.05 1 901 180 180 TYR CB C 42.432 0.05 1 902 180 180 TYR N N 126.743 0.03 1 903 181 181 ALA H H 9.023 0.01 1 904 181 181 ALA HB H 1.395 0.01 1 905 181 181 ALA C C 175.785 0.05 1 906 181 181 ALA CA C 50.305 0.05 1 907 181 181 ALA CB C 23.731 0.05 1 908 181 181 ALA N N 118.278 0.03 1 909 182 182 LEU H H 9.407 0.01 1 910 182 182 LEU HD1 H 1.080 0.01 2 911 182 182 LEU HD2 H 0.796 0.01 2 912 182 182 LEU C C 172.897 0.05 1 913 182 182 LEU CA C 55.589 0.05 1 914 182 182 LEU CB C 47.347 0.05 1 915 182 182 LEU CG C 26.255 0.05 1 916 182 182 LEU CD1 C 24.729 0.05 1 917 182 182 LEU CD2 C 26.555 0.05 1 918 182 182 LEU N N 121.719 0.03 1 919 183 183 SER H H 9.667 0.01 1 920 183 183 SER C C 172.143 0.05 1 921 183 183 SER CA C 56.289 0.05 1 922 183 183 SER CB C 69.404 0.05 1 923 183 183 SER N N 123.983 0.03 1 924 184 184 SER H H 8.683 0.01 1 925 184 184 SER C C 172.859 0.05 1 926 184 184 SER CA C 56.118 0.05 1 927 184 184 SER CB C 63.829 0.05 1 928 184 184 SER N N 110.985 0.03 1 929 185 185 ARG H H 8.638 0.01 1 930 185 185 ARG C C 170.620 0.05 1 931 185 185 ARG CA C 52.932 0.05 1 932 185 185 ARG CB C 32.961 0.05 1 933 185 185 ARG N N 126.038 0.03 1 934 186 186 LEU H H 7.944 0.01 1 935 186 186 LEU HD1 H 0.411 0.01 2 936 186 186 LEU HD2 H 0.294 0.01 2 937 186 186 LEU C C 173.070 0.05 1 938 186 186 LEU CA C 52.156 0.05 1 939 186 186 LEU CB C 41.146 0.05 1 940 186 186 LEU CG C 26.452 0.05 1 941 186 186 LEU CD1 C 27.037 0.05 1 942 186 186 LEU CD2 C 23.199 0.05 1 943 186 186 LEU N N 124.331 0.03 1 944 187 187 ARG H H 8.743 0.01 1 945 187 187 ARG C C 174.386 0.05 1 946 187 187 ARG CA C 53.924 0.05 1 947 187 187 ARG CB C 35.181 0.05 1 948 187 187 ARG N N 128.624 0.03 1 949 188 188 VAL H H 8.451 0.01 1 950 188 188 VAL HG1 H 0.825 0.01 2 951 188 188 VAL HG2 H 1.091 0.01 2 952 188 188 VAL C C 175.124 0.05 1 953 188 188 VAL CA C 57.753 0.05 1 954 188 188 VAL CB C 35.109 0.05 1 955 188 188 VAL CG1 C 21.350 0.05 1 956 188 188 VAL CG2 C 18.011 0.05 1 957 188 188 VAL N N 117.367 0.03 1 958 189 189 SER H H 8.682 0.01 1 959 189 189 SER C C 175.162 0.05 1 960 189 189 SER CA C 58.236 0.05 1 961 189 189 SER CB C 63.335 0.05 1 962 189 189 SER N N 116.170 0.03 1 963 190 190 ALA H H 7.853 0.01 1 964 190 190 ALA HB H 1.233 0.01 1 965 190 190 ALA C C 178.110 0.05 1 966 190 190 ALA CA C 55.280 0.05 1 967 190 190 ALA CB C 17.862 0.05 1 968 190 190 ALA N N 125.175 0.03 1 969 191 191 THR H H 7.969 0.01 1 970 191 191 THR C C 175.519 0.05 1 971 191 191 THR CA C 64.753 0.05 1 972 191 191 THR CB C 68.341 0.05 1 973 191 191 THR N N 108.436 0.03 1 974 192 192 PHE H H 7.735 0.01 1 975 192 192 PHE C C 178.184 0.05 1 976 192 192 PHE CA C 61.073 0.05 1 977 192 192 PHE CB C 40.018 0.05 1 978 192 192 PHE N N 124.588 0.03 1 979 193 193 TRP H H 7.690 0.01 1 980 193 193 TRP C C 174.072 0.05 1 981 193 193 TRP CA C 58.709 0.05 1 982 193 193 TRP CB C 29.328 0.05 1 983 193 193 TRP N N 119.347 0.03 1 984 194 194 HIS H H 7.711 0.01 1 985 194 194 HIS C C 174.495 0.05 1 986 194 194 HIS CA C 54.057 0.05 1 987 194 194 HIS CB C 28.700 0.05 1 988 194 194 HIS N N 112.189 0.03 1 989 195 195 ASN H H 6.929 0.01 1 990 195 195 ASN CA C 49.341 0.05 1 991 195 195 ASN CB C 38.399 0.05 1 992 195 195 ASN N N 118.522 0.03 1 993 196 196 PRO C C 176.582 0.05 1 994 196 196 PRO CA C 62.665 0.05 1 995 197 197 ARG H H 7.694 0.01 1 996 197 197 ARG C C 176.829 0.05 1 997 197 197 ARG CA C 55.502 0.05 1 998 197 197 ARG CB C 28.904 0.05 1 999 197 197 ARG N N 115.270 0.03 1 1000 198 198 ASN H H 7.688 0.01 1 1001 198 198 ASN C C 172.078 0.05 1 1002 198 198 ASN CA C 52.052 0.05 1 1003 198 198 ASN CB C 37.763 0.05 1 1004 198 198 ASN N N 118.261 0.03 1 1005 199 199 HIS H H 8.247 0.01 1 1006 199 199 HIS C C 173.038 0.05 1 1007 199 199 HIS CA C 55.162 0.05 1 1008 199 199 HIS CB C 34.208 0.05 1 1009 199 199 HIS N N 122.984 0.03 1 1010 200 200 PHE H H 8.538 0.01 1 1011 200 200 PHE C C 173.598 0.05 1 1012 200 200 PHE CA C 55.989 0.05 1 1013 200 200 PHE CB C 41.279 0.05 1 1014 200 200 PHE N N 124.624 0.03 1 1015 201 201 ARG H H 9.129 0.01 1 1016 201 201 ARG C C 173.480 0.05 1 1017 201 201 ARG CA C 54.518 0.05 1 1018 201 201 ARG CB C 34.437 0.05 1 1019 201 201 ARG N N 121.663 0.03 1 1020 202 202 CYS H H 8.860 0.01 1 1021 202 202 CYS C C 171.482 0.05 1 1022 202 202 CYS CA C 52.326 0.05 1 1023 202 202 CYS CB C 42.055 0.05 1 1024 202 202 CYS N N 127.472 0.03 1 1025 203 203 GLN H H 9.273 0.01 1 1026 203 203 GLN C C 173.482 0.05 1 1027 203 203 GLN CA C 54.005 0.05 1 1028 203 203 GLN CB C 32.365 0.05 1 1029 203 203 GLN N N 127.974 0.03 1 1030 204 204 VAL H H 9.121 0.01 1 1031 204 204 VAL HG1 H 0.385 0.01 2 1032 204 204 VAL HG2 H 0.634 0.01 2 1033 204 204 VAL C C 174.179 0.05 1 1034 204 204 VAL CA C 60.434 0.05 1 1035 204 204 VAL CB C 31.517 0.05 1 1036 204 204 VAL CG1 C 21.778 0.05 1 1037 204 204 VAL CG2 C 22.071 0.05 1 1038 204 204 VAL N N 127.553 0.03 1 1039 205 205 GLN H H 8.961 0.01 1 1040 205 205 GLN C C 173.731 0.05 1 1041 205 205 GLN CA C 54.593 0.05 1 1042 205 205 GLN CB C 29.288 0.05 1 1043 205 205 GLN N N 128.561 0.03 1 1044 206 206 PHE H H 8.837 0.01 1 1045 206 206 PHE C C 172.694 0.05 1 1046 206 206 PHE CA C 54.966 0.05 1 1047 206 206 PHE CB C 40.795 0.05 1 1048 206 206 PHE N N 128.265 0.03 1 1049 207 207 HIS H H 7.723 0.01 1 1050 207 207 HIS C C 174.282 0.05 1 1051 207 207 HIS CA C 55.302 0.05 1 1052 207 207 HIS CB C 29.468 0.05 1 1053 207 207 HIS N N 128.578 0.03 1 1054 208 208 GLY H H 7.687 0.01 1 1055 208 208 GLY C C 174.371 0.05 1 1056 208 208 GLY CA C 43.417 0.05 1 1057 208 208 GLY N N 111.960 0.03 1 1058 209 209 LEU H H 8.361 0.01 1 1059 209 209 LEU HD1 H 0.987 0.01 2 1060 209 209 LEU HD2 H 0.929 0.01 2 1061 209 209 LEU C C 176.001 0.05 1 1062 209 209 LEU CA C 54.036 0.05 1 1063 209 209 LEU CB C 41.275 0.05 1 1064 209 209 LEU CG C 26.511 0.05 1 1065 209 209 LEU CD1 C 22.643 0.05 1 1066 209 209 LEU CD2 C 27.390 0.05 1 1067 209 209 LEU N N 122.750 0.03 1 1068 210 210 SER H H 9.320 0.01 1 1069 210 210 SER CA C 56.902 0.05 1 1070 210 210 SER CB C 64.644 0.05 1 1071 210 210 SER N N 116.789 0.03 1 1072 211 211 GLU C C 177.842 0.05 1 1073 212 212 GLU H H 8.462 0.01 1 1074 212 212 GLU C C 177.105 0.05 1 1075 212 212 GLU CA C 56.942 0.05 1 1076 212 212 GLU CB C 28.684 0.05 1 1077 212 212 GLU N N 115.347 0.03 1 1078 213 213 ASP H H 7.247 0.01 1 1079 213 213 ASP C C 175.816 0.05 1 1080 213 213 ASP CA C 54.995 0.05 1 1081 213 213 ASP CB C 41.439 0.05 1 1082 213 213 ASP N N 120.698 0.03 1 1083 214 214 LYS H H 8.600 0.01 1 1084 214 214 LYS C C 175.679 0.05 1 1085 214 214 LYS CA C 55.956 0.05 1 1086 214 214 LYS CB C 31.714 0.05 1 1087 214 214 LYS N N 123.452 0.03 1 1088 215 215 TRP H H 8.362 0.01 1 1089 215 215 TRP CA C 53.263 0.05 1 1090 215 215 TRP CB C 32.309 0.05 1 1091 215 215 TRP N N 124.321 0.03 1 1092 218 218 GLY C C 173.772 0.05 1 1093 218 218 GLY CA C 45.175 0.05 1 1094 219 219 SER H H 7.722 0.01 1 1095 219 219 SER CA C 55.892 0.05 1 1096 219 219 SER CB C 62.935 0.05 1 1097 219 219 SER N N 115.844 0.03 1 1098 220 220 PRO C C 176.381 0.05 1 1099 220 220 PRO CA C 62.638 0.05 1 1100 220 220 PRO CB C 30.873 0.05 1 1101 221 221 LYS H H 8.456 0.01 1 1102 221 221 LYS CA C 53.268 0.05 1 1103 221 221 LYS CB C 32.923 0.05 1 1104 221 221 LYS N N 127.802 0.03 1 1105 222 222 PRO C C 174.538 0.05 1 1106 222 222 PRO CA C 61.232 0.05 1 1107 223 223 VAL H H 7.596 0.01 1 1108 223 223 VAL HG1 H 0.734 0.01 2 1109 223 223 VAL HG2 H 0.801 0.01 2 1110 223 223 VAL C C 175.667 0.05 1 1111 223 223 VAL CA C 60.059 0.05 1 1112 223 223 VAL CB C 32.469 0.05 1 1113 223 223 VAL CG1 C 21.833 0.05 1 1114 223 223 VAL CG2 C 17.195 0.05 1 1115 223 223 VAL N N 117.651 0.03 1 1116 224 224 THR H H 7.776 0.01 1 1117 224 224 THR C C 174.564 0.05 1 1118 224 224 THR CA C 63.196 0.05 1 1119 224 224 THR CB C 68.520 0.05 1 1120 224 224 THR N N 117.890 0.03 1 1121 225 225 GLN H H 8.813 0.01 1 1122 225 225 GLN C C 172.058 0.05 1 1123 225 225 GLN CA C 54.414 0.05 1 1124 225 225 GLN CB C 31.650 0.05 1 1125 225 225 GLN N N 122.608 0.03 1 1126 226 226 ASN H H 8.605 0.01 1 1127 226 226 ASN C C 174.585 0.05 1 1128 226 226 ASN CA C 51.377 0.05 1 1129 226 226 ASN CB C 39.219 0.05 1 1130 226 226 ASN N N 119.867 0.03 1 1131 227 227 ILE H H 9.035 0.01 1 1132 227 227 ILE HD1 H 0.800 0.01 1 1133 227 227 ILE C C 174.624 0.05 1 1134 227 227 ILE CA C 60.161 0.05 1 1135 227 227 ILE CB C 39.370 0.05 1 1136 227 227 ILE CG1 C 26.667 0.05 1 1137 227 227 ILE CD1 C 14.102 0.05 1 1138 227 227 ILE N N 127.132 0.03 1 1139 228 228 SER H H 8.532 0.01 1 1140 228 228 SER C C 173.029 0.05 1 1141 228 228 SER CA C 56.727 0.05 1 1142 228 228 SER CB C 66.453 0.05 1 1143 228 228 SER N N 120.556 0.03 1 1144 229 229 ALA H H 8.551 0.01 1 1145 229 229 ALA HB H 1.244 0.01 1 1146 229 229 ALA C C 175.004 0.05 1 1147 229 229 ALA CA C 51.073 0.05 1 1148 229 229 ALA CB C 22.508 0.05 1 1149 229 229 ALA N N 124.193 0.03 1 1150 230 230 GLU H H 8.623 0.01 1 1151 230 230 GLU C C 174.118 0.05 1 1152 230 230 GLU CA C 53.887 0.05 1 1153 230 230 GLU CB C 34.122 0.05 1 1154 230 230 GLU N N 118.637 0.03 1 1155 231 231 ALA H H 8.982 0.01 1 1156 231 231 ALA HB H 1.610 0.01 1 1157 231 231 ALA C C 174.817 0.05 1 1158 231 231 ALA CA C 51.555 0.05 1 1159 231 231 ALA CB C 22.156 0.05 1 1160 231 231 ALA N N 121.283 0.03 1 1161 232 232 TRP H H 8.572 0.01 1 1162 232 232 TRP C C 176.331 0.05 1 1163 232 232 TRP CB C 31.416 0.05 1 1164 232 232 TRP N N 121.265 0.03 1 1165 233 233 GLY H H 8.663 0.01 1 1166 233 233 GLY C C 172.061 0.05 1 1167 233 233 GLY CA C 45.094 0.05 1 1168 233 233 GLY N N 105.896 0.03 1 1169 234 234 ARG H H 6.385 0.01 1 1170 234 234 ARG C C 174.354 0.05 1 1171 234 234 ARG CA C 54.492 0.05 1 1172 234 234 ARG CB C 31.228 0.05 1 1173 234 234 ARG N N 115.551 0.03 1 1174 235 235 ALA H H 8.482 0.01 1 1175 235 235 ALA HB H 1.310 0.01 1 1176 235 235 ALA C C 176.556 0.05 1 1177 235 235 ALA CA C 52.160 0.05 1 1178 235 235 ALA CB C 18.555 0.05 1 1179 235 235 ALA N N 124.927 0.03 1 1180 236 236 ASP H H 7.701 0.01 1 1181 236 236 ASP CA C 54.961 0.05 1 1182 236 236 ASP CB C 41.640 0.05 1 1183 236 236 ASP N N 123.838 0.03 1 stop_ save_