data_27278 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant c1 ; _BMRB_accession_number 27278 _BMRB_flat_file_name bmr27278.str _Entry_type original _Submission_date 2017-10-11 _Accession_date 2017-10-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Arthanari Haribabu . . 3 Reinherz Ellis L. . 4 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" 202 "13C chemical shifts" 588 "15N chemical shifts" 202 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-14 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26600 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit' 27279 'T cell receptor N30 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' 27280 'T cell receptor N15 beta subunit C domain mutant m22 (Y50A/E51A/F128R/V144Q/L146Q)' 27281 'T cell receptor N15 beta subunit C domain mutant m23 (Q48A/Y50A/E51A/F128R/V144Q/L146Q)' stop_ _Original_release_date 2015-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Pre-TCR ligand binding impacts thymocyte development before TCR expression. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26056289 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Bai Ke . . 3 Arthanari Haribabu . . 4 Hussey Rebecca E. . 5 Li Zhenhai . . 6 Chingozha Loice . . 7 Duke-Cohan Jonathan S. . 8 Lu Hang . . 9 Wang Jia-Huai . . 10 Zhu Cheng . . 11 Wagner Gerhard . . 12 Reinherz Ellis L. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 112 _Journal_issue 27 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8373 _Page_last 8378 _Year 2015 _Details . loop_ _Keyword 'NMR spectroscopy' 'biomembrane force probe' 'pre T-cell receptor' 'repertoire selection' 'thymic development' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title ; Backbone Resonance Assignment of N15, N30 and D10 T cell Receptor beta subunits ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26275917 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mallis Robert J. . 2 Reinherz Ellis L. . 3 Wagner Gerhard . . 4 Arthanari Haribabu . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full . _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 35 _Page_last 39 _Year 2016 _Details . loop_ _Keyword MHC 'NMR spectroscopy' 'T-cell Receptor (TCR)' 'biomembrane force probe' immunology 'pre T-cell receptor' 'protein refolding' 'repertoire selection' 'thymic development' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N15alphabetaTCR, pTalpha/N15beta' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N15 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' $N15b-c1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_N15b-c1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N15b-c1 _Molecular_mass 27428.69 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 240 _Mol_residue_sequence ; MDSGVVQSPRHIIKEKGGRS VLTCIPISGHSNVVWYQQTL GKELKFLIQHYEKVERDKGF LPSRFSVQQFDDYHSEMNMS ALELEDSAMYFCASSLRWGD EQYFGPGTRLTVLEDLRNVT PPKVSLREPSKAEIANKQKA TLQCQARGFFPDHVELSWWV NGKEVHSGVSTDPQAYKESN YSYSLSSRLRVSATFWHNPR NHFRCQVQFHGLSEEDKWPE GSPKPVTQNISAEAWGRADS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ASP 3 2 SER 4 3 GLY 5 4 VAL 6 5 VAL 7 6 GLN 8 7 SER 9 8 PRO 10 9 ARG 11 10 HIS 12 11 ILE 13 12 ILE 14 13 LYS 15 14 GLU 16 15 LYS 17 16 GLY 18 17 GLY 19 18 ARG 20 19 SER 21 20 VAL 22 21 LEU 23 22 THR 24 23 CYS 25 24 ILE 26 25 PRO 27 26 ILE 28 27 SER 29 28 GLY 30 29 HIS 31 30 SER 32 31 ASN 33 32 VAL 34 33 VAL 35 34 TRP 36 35 TYR 37 36 GLN 38 37 GLN 39 38 THR 40 39 LEU 41 40 GLY 42 41 LYS 43 42 GLU 44 43 LEU 45 44 LYS 46 45 PHE 47 46 LEU 48 47 ILE 49 48 GLN 50 49 HIS 51 50 TYR 52 51 GLU 53 52 LYS 54 53 VAL 55 54 GLU 56 55 ARG 57 56 ASP 58 57 LYS 59 58 GLY 60 59 PHE 61 60 LEU 62 61 PRO 63 62 SER 64 63 ARG 65 64 PHE 66 65 SER 67 66 VAL 68 67 GLN 69 68 GLN 70 69 PHE 71 70 ASP 72 71 ASP 73 72 TYR 74 73 HIS 75 74 SER 76 75 GLU 77 76 MET 78 77 ASN 79 78 MET 80 79 SER 81 80 ALA 82 81 LEU 83 82 GLU 84 83 LEU 85 84 GLU 86 85 ASP 87 86 SER 88 87 ALA 89 88 MET 90 89 TYR 91 90 PHE 92 91 CYS 93 92 ALA 94 93 SER 95 94 SER 96 95 LEU 97 96 ARG 98 97 TRP 99 98 GLY 100 99 ASP 101 100 GLU 102 101 GLN 103 102 TYR 104 103 PHE 105 104 GLY 106 105 PRO 107 106 GLY 108 107 THR 109 108 ARG 110 109 LEU 111 110 THR 112 111 VAL 113 112 LEU 114 113 GLU 115 114 ASP 116 115 LEU 117 116 ARG 118 117 ASN 119 118 VAL 120 119 THR 121 120 PRO 122 121 PRO 123 122 LYS 124 123 VAL 125 124 SER 126 125 LEU 127 126 ARG 128 127 GLU 129 128 PRO 130 129 SER 131 130 LYS 132 131 ALA 133 132 GLU 134 133 ILE 135 134 ALA 136 135 ASN 137 136 LYS 138 137 GLN 139 138 LYS 140 139 ALA 141 140 THR 142 141 LEU 143 142 GLN 144 143 CYS 145 144 GLN 146 145 ALA 147 146 ARG 148 147 GLY 149 148 PHE 150 149 PHE 151 150 PRO 152 151 ASP 153 152 HIS 154 153 VAL 155 154 GLU 156 155 LEU 157 156 SER 158 157 TRP 159 158 TRP 160 159 VAL 161 160 ASN 162 161 GLY 163 162 LYS 164 163 GLU 165 164 VAL 166 165 HIS 167 166 SER 168 167 GLY 169 168 VAL 170 169 SER 171 170 THR 172 171 ASP 173 172 PRO 174 173 GLN 175 174 ALA 176 175 TYR 177 176 LYS 178 177 GLU 179 178 SER 180 179 ASN 181 180 TYR 182 181 SER 183 182 TYR 184 183 SER 185 184 LEU 186 185 SER 187 186 SER 188 187 ARG 189 188 LEU 190 189 ARG 191 190 VAL 192 191 SER 193 192 ALA 194 193 THR 195 194 PHE 196 195 TRP 197 196 HIS 198 197 ASN 199 198 PRO 200 199 ARG 201 200 ASN 202 201 HIS 203 202 PHE 204 203 ARG 205 204 CYS 206 205 GLN 207 206 VAL 208 207 GLN 209 208 PHE 210 209 HIS 211 210 GLY 212 211 LEU 213 212 SER 214 213 GLU 215 214 GLU 216 215 ASP 217 216 LYS 218 217 TRP 219 218 PRO 220 219 GLU 221 220 GLY 222 221 SER 223 222 PRO 224 223 LYS 225 224 PRO 226 225 VAL 227 226 THR 228 227 GLN 229 228 ASN 230 229 ILE 231 230 SER 232 231 ALA 233 232 GLU 234 233 ALA 235 234 TRP 236 235 GLY 237 236 ARG 238 237 ALA 239 238 ASP 240 239 SER 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 $N15b-c1 'house mouse' 10090 Eukaryota Metazoa Mus musculus B6 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 $N15b-c1 'recombinant technology' . Escherichia coli 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 $N15b-c1 0.4 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.90 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 7 . 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 internal indirect . . . . water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 internal 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' 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 'N15 beta subunit C domain mutant c1 (F128R/V144Q/L146Q)' _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 3 SER H H 8.269 0.020 1 2 2 3 SER C C 174.312 0.3 1 3 2 3 SER CA C 57.881 0.3 1 4 2 3 SER CB C 63.307 0.3 1 5 2 3 SER N N 116.565 0.3 1 6 3 4 GLY H H 8.047 0.020 1 7 3 4 GLY C C 172.787 0.3 1 8 3 4 GLY CA C 43.902 0.3 1 9 3 4 GLY N N 110.043 0.3 1 10 4 5 VAL H H 8.109 0.020 1 11 4 5 VAL C C 176.073 0.3 1 12 4 5 VAL CA C 62.940 0.3 1 13 4 5 VAL CB C 31.533 0.3 1 14 4 5 VAL N N 123.899 0.3 1 15 5 6 VAL H H 8.215 0.020 1 16 5 6 VAL C C 175.680 0.3 1 17 5 6 VAL CA C 60.693 0.3 1 18 5 6 VAL CB C 33.162 0.3 1 19 5 6 VAL N N 128.970 0.3 1 20 6 7 GLN H H 8.166 0.020 1 21 6 7 GLN C C 174.490 0.3 1 22 6 7 GLN CA C 54.588 0.3 1 23 6 7 GLN CB C 34.614 0.3 1 24 6 7 GLN N N 123.206 0.3 1 25 7 8 SER H H 8.185 0.020 1 26 7 8 SER C C 171.969 0.3 1 27 7 8 SER CA C 54.664 0.3 1 28 7 8 SER CB C 64.205 0.3 1 29 7 8 SER N N 115.557 0.3 1 30 10 11 HIS H H 7.713 0.020 1 31 10 11 HIS C C 174.297 0.3 1 32 10 11 HIS CA C 55.253 0.3 1 33 10 11 HIS CB C 33.539 0.3 1 34 10 11 HIS N N 118.544 0.3 1 35 11 12 ILE H H 8.872 0.020 1 36 11 12 ILE C C 172.979 0.3 1 37 11 12 ILE CA C 60.233 0.3 1 38 11 12 ILE CB C 40.913 0.3 1 39 11 12 ILE N N 121.405 0.3 1 40 12 13 ILE H H 8.099 0.020 1 41 12 13 ILE C C 175.271 0.3 1 42 12 13 ILE CA C 59.184 0.3 1 43 12 13 ILE CB C 39.121 0.3 1 44 12 13 ILE N N 127.876 0.3 1 45 13 14 LYS H H 8.297 0.020 1 46 13 14 LYS C C 173.987 0.3 1 47 13 14 LYS CA C 51.208 0.3 1 48 13 14 LYS CB C 36.708 0.3 1 49 13 14 LYS N N 124.320 0.3 1 50 14 15 GLU H H 8.931 0.020 1 51 14 15 GLU C C 175.590 0.3 1 52 14 15 GLU CA C 54.383 0.3 1 53 14 15 GLU CB C 30.380 0.3 1 54 14 15 GLU N N 122.332 0.3 1 55 15 16 LYS H H 7.900 0.020 1 56 15 16 LYS C C 176.738 0.3 1 57 15 16 LYS CA C 57.237 0.3 1 58 15 16 LYS CB C 31.545 0.3 1 59 15 16 LYS N N 123.473 0.3 1 60 16 17 GLY H H 9.993 0.020 1 61 16 17 GLY C C 175.174 0.3 1 62 16 17 GLY CA C 44.274 0.3 1 63 16 17 GLY N N 117.059 0.3 1 64 17 18 GLY H H 8.425 0.020 1 65 17 18 GLY C C 169.912 0.3 1 66 17 18 GLY CA C 44.131 0.3 1 67 17 18 GLY N N 109.713 0.3 1 68 18 19 ARG H H 7.981 0.020 1 69 18 19 ARG C C 175.294 0.3 1 70 18 19 ARG CA C 53.305 0.3 1 71 18 19 ARG CB C 32.781 0.3 1 72 18 19 ARG N N 114.678 0.3 1 73 19 20 SER H H 8.346 0.020 1 74 19 20 SER C C 172.331 0.3 1 75 19 20 SER CA C 57.054 0.3 1 76 19 20 SER CB C 65.806 0.3 1 77 19 20 SER N N 114.170 0.3 1 78 20 21 VAL H H 7.732 0.020 1 79 20 21 VAL C C 174.905 0.3 1 80 20 21 VAL CA C 60.673 0.3 1 81 20 21 VAL CB C 33.128 0.3 1 82 20 21 VAL N N 121.072 0.3 1 83 21 22 LEU H H 8.912 0.020 1 84 21 22 LEU C C 175.991 0.3 1 85 21 22 LEU CA C 54.114 0.3 1 86 21 22 LEU CB C 41.988 0.3 1 87 21 22 LEU N N 131.332 0.3 1 88 22 23 THR H H 8.988 0.020 1 89 22 23 THR C C 173.775 0.3 1 90 22 23 THR CA C 62.546 0.3 1 91 22 23 THR CB C 70.012 0.3 1 92 22 23 THR N N 116.572 0.3 1 93 23 24 CYS H H 9.370 0.020 1 94 23 24 CYS C C 172.790 0.3 1 95 23 24 CYS CA C 53.811 0.3 1 96 23 24 CYS CB C 44.391 0.3 1 97 23 24 CYS N N 127.178 0.3 1 98 24 25 ILE H H 9.494 0.020 1 99 24 25 ILE C C 173.618 0.3 1 100 24 25 ILE CA C 57.190 0.3 1 101 24 25 ILE CB C 37.311 0.3 1 102 24 25 ILE N N 130.856 0.3 1 103 26 27 ILE H H 6.472 0.020 1 104 26 27 ILE C C 175.763 0.3 1 105 26 27 ILE CA C 61.927 0.3 1 106 26 27 ILE CB C 35.808 0.3 1 107 26 27 ILE N N 122.135 0.3 1 108 27 28 SER H H 7.960 0.020 1 109 27 28 SER C C 175.822 0.3 1 110 27 28 SER CA C 59.716 0.3 1 111 27 28 SER CB C 61.872 0.3 1 112 27 28 SER N N 120.737 0.3 1 113 28 29 GLY H H 8.348 0.020 1 114 28 29 GLY C C 174.419 0.3 1 115 28 29 GLY CA C 44.337 0.3 1 116 28 29 GLY N N 115.822 0.3 1 117 29 30 HIS H H 8.453 0.020 1 118 29 30 HIS C C 175.982 0.3 1 119 29 30 HIS CA C 56.227 0.3 1 120 29 30 HIS CB C 31.418 0.3 1 121 29 30 HIS N N 121.267 0.3 1 122 30 31 SER H H 7.849 0.020 1 123 30 31 SER C C 173.734 0.3 1 124 30 31 SER CA C 57.293 0.3 1 125 30 31 SER CB C 64.348 0.3 1 126 30 31 SER N N 113.090 0.3 1 127 31 32 ASN H H 8.052 0.020 1 128 31 32 ASN C C 173.638 0.3 1 129 31 32 ASN CA C 52.358 0.3 1 130 31 32 ASN CB C 40.624 0.3 1 131 31 32 ASN N N 124.106 0.3 1 132 32 33 VAL H H 9.130 0.020 1 133 32 33 VAL C C 174.459 0.3 1 134 32 33 VAL CA C 61.430 0.3 1 135 32 33 VAL CB C 34.398 0.3 1 136 32 33 VAL N N 125.188 0.3 1 137 33 34 VAL H H 9.111 0.020 1 138 33 34 VAL CA C 59.610 0.3 1 139 33 34 VAL CB C 34.146 0.3 1 140 33 34 VAL N N 129.712 0.3 1 141 34 35 TRP H H 8.212 0.020 1 142 34 35 TRP C C 175.313 0.3 1 143 34 35 TRP CA C 55.623 0.3 1 144 34 35 TRP CB C 32.403 0.3 1 145 34 35 TRP N N 121.974 0.3 1 146 35 36 TYR H H 9.660 0.020 1 147 35 36 TYR C C 174.799 0.3 1 148 35 36 TYR CA C 56.421 0.3 1 149 35 36 TYR CB C 44.177 0.3 1 150 35 36 TYR N N 117.772 0.3 1 151 36 37 GLN H H 9.418 0.020 1 152 36 37 GLN C C 174.126 0.3 1 153 36 37 GLN CA C 53.346 0.3 1 154 36 37 GLN CB C 33.382 0.3 1 155 36 37 GLN N N 122.245 0.3 1 156 37 38 GLN H H 9.347 0.020 1 157 37 38 GLN C C 175.452 0.3 1 158 37 38 GLN CA C 54.606 0.3 1 159 37 38 GLN CB C 31.047 0.3 1 160 37 38 GLN N N 128.254 0.3 1 161 38 39 THR H H 9.018 0.020 1 162 38 39 THR C C 174.401 0.3 1 163 38 39 THR CA C 61.496 0.3 1 164 38 39 THR CB C 69.405 0.3 1 165 38 39 THR N N 125.417 0.3 1 166 39 40 LEU H H 8.419 0.020 1 167 39 40 LEU C C 178.221 0.3 1 168 39 40 LEU CA C 56.530 0.3 1 169 39 40 LEU CB C 40.496 0.3 1 170 39 40 LEU N N 124.490 0.3 1 171 40 41 GLY H H 8.567 0.020 1 172 40 41 GLY C C 174.063 0.3 1 173 40 41 GLY CA C 45.037 0.3 1 174 40 41 GLY N N 111.596 0.3 1 175 41 42 LYS H H 7.973 0.020 1 176 41 42 LYS C C 175.964 0.3 1 177 41 42 LYS CA C 54.447 0.3 1 178 41 42 LYS CB C 31.162 0.3 1 179 41 42 LYS N N 118.860 0.3 1 180 42 43 GLU H H 8.061 0.020 1 181 42 43 GLU C C 175.988 0.3 1 182 42 43 GLU CA C 55.401 0.3 1 183 42 43 GLU CB C 29.387 0.3 1 184 42 43 GLU N N 119.463 0.3 1 185 43 44 LEU H H 8.356 0.020 1 186 43 44 LEU C C 176.497 0.3 1 187 43 44 LEU CA C 55.041 0.3 1 188 43 44 LEU CB C 41.655 0.3 1 189 43 44 LEU N N 123.028 0.3 1 190 44 45 LYS H H 9.256 0.020 1 191 44 45 LYS C C 175.947 0.3 1 192 44 45 LYS CA C 54.729 0.3 1 193 44 45 LYS CB C 33.108 0.3 1 194 44 45 LYS N N 125.947 0.3 1 195 45 46 PHE H H 9.179 0.020 1 196 45 46 PHE C C 174.383 0.3 1 197 45 46 PHE CA C 58.392 0.3 1 198 45 46 PHE CB C 38.620 0.3 1 199 45 46 PHE N N 128.323 0.3 1 200 46 47 LEU H H 8.398 0.020 1 201 46 47 LEU C C 174.753 0.3 1 202 46 47 LEU CA C 55.451 0.3 1 203 46 47 LEU CB C 41.550 0.3 1 204 46 47 LEU N N 126.270 0.3 1 205 47 48 ILE H H 6.648 0.020 1 206 47 48 ILE C C 169.977 0.3 1 207 47 48 ILE CA C 60.476 0.3 1 208 47 48 ILE CB C 38.377 0.3 1 209 47 48 ILE N N 114.848 0.3 1 210 48 49 GLN H H 7.903 0.020 1 211 48 49 GLN C C 172.932 0.3 1 212 48 49 GLN CA C 53.558 0.3 1 213 48 49 GLN CB C 31.729 0.3 1 214 48 49 GLN N N 124.018 0.3 1 215 56 57 ASP H H 7.694 0.020 1 216 56 57 ASP C C 173.831 0.3 1 217 56 57 ASP CA C 53.901 0.3 1 218 56 57 ASP CB C 41.550 0.3 1 219 56 57 ASP N N 118.305 0.3 1 220 57 58 LYS H H 8.346 0.020 1 221 57 58 LYS C C 175.174 0.3 1 222 57 58 LYS CA C 56.120 0.3 1 223 57 58 LYS CB C 33.467 0.3 1 224 57 58 LYS N N 121.742 0.3 1 225 63 64 ARG H H 6.524 0.020 1 226 63 64 ARG C C 175.733 0.3 1 227 63 64 ARG CA C 55.836 0.3 1 228 63 64 ARG CB C 28.330 0.3 1 229 63 64 ARG N N 115.661 0.3 1 230 64 65 PHE H H 8.018 0.020 1 231 64 65 PHE C C 173.777 0.3 1 232 64 65 PHE CA C 52.278 0.3 1 233 64 65 PHE CB C 38.020 0.3 1 234 64 65 PHE N N 122.342 0.3 1 235 65 66 SER H H 8.552 0.020 1 236 65 66 SER C C 172.800 0.3 1 237 65 66 SER CA C 56.422 0.3 1 238 65 66 SER CB C 64.348 0.3 1 239 65 66 SER N N 113.653 0.3 1 240 66 67 VAL H H 8.850 0.020 1 241 66 67 VAL CA C 59.926 0.3 1 242 66 67 VAL CB C 31.161 0.3 1 243 66 67 VAL N N 125.360 0.3 1 244 68 69 GLN H H 7.987 0.020 1 245 68 69 GLN C C 174.614 0.3 1 246 68 69 GLN CA C 53.334 0.3 1 247 68 69 GLN CB C 30.067 0.3 1 248 68 69 GLN N N 123.096 0.3 1 249 69 70 PHE H H 8.043 0.020 1 250 69 70 PHE C C 176.746 0.3 1 251 69 70 PHE CA C 57.520 0.3 1 252 69 70 PHE CB C 39.949 0.3 1 253 69 70 PHE N N 124.650 0.3 1 254 70 71 ASP H H 8.656 0.020 1 255 70 71 ASP C C 175.973 0.3 1 256 70 71 ASP CA C 56.895 0.3 1 257 70 71 ASP CB C 39.969 0.3 1 258 70 71 ASP N N 120.190 0.3 1 259 71 72 ASP H H 7.573 0.020 1 260 71 72 ASP C C 176.711 0.3 1 261 71 72 ASP CA C 52.621 0.3 1 262 71 72 ASP CB C 38.539 0.3 1 263 71 72 ASP N N 115.720 0.3 1 264 72 73 TYR H H 7.994 0.020 1 265 72 73 TYR C C 175.112 0.3 1 266 72 73 TYR CA C 60.106 0.3 1 267 72 73 TYR CB C 34.089 0.3 1 268 72 73 TYR N N 111.840 0.3 1 269 73 74 HIS H H 8.195 0.020 1 270 73 74 HIS C C 172.127 0.3 1 271 73 74 HIS CA C 55.655 0.3 1 272 73 74 HIS CB C 25.484 0.3 1 273 73 74 HIS N N 118.014 0.3 1 274 74 75 SER H H 8.913 0.020 1 275 74 75 SER C C 174.276 0.3 1 276 74 75 SER CA C 55.041 0.3 1 277 74 75 SER CB C 65.498 0.3 1 278 74 75 SER N N 115.090 0.3 1 279 75 76 GLU H H 8.628 0.020 1 280 75 76 GLU C C 174.614 0.3 1 281 75 76 GLU CA C 53.845 0.3 1 282 75 76 GLU CB C 32.012 0.3 1 283 75 76 GLU N N 124.620 0.3 1 284 76 77 MET H H 9.070 0.020 1 285 76 77 MET C C 173.221 0.3 1 286 76 77 MET CA C 53.238 0.3 1 287 76 77 MET CB C 33.199 0.3 1 288 76 77 MET N N 124.719 0.3 1 289 77 78 ASN H H 9.229 0.020 1 290 77 78 ASN C C 174.274 0.3 1 291 77 78 ASN CA C 52.296 0.3 1 292 77 78 ASN CB C 39.281 0.3 1 293 77 78 ASN N N 127.465 0.3 1 294 78 79 MET H H 8.677 0.020 1 295 78 79 MET C C 173.914 0.3 1 296 78 79 MET CA C 54.361 0.3 1 297 78 79 MET CB C 33.866 0.3 1 298 78 79 MET N N 124.252 0.3 1 299 79 80 SER H H 7.568 0.020 1 300 79 80 SER C C 170.936 0.3 1 301 79 80 SER CA C 56.542 0.3 1 302 79 80 SER CB C 65.498 0.3 1 303 79 80 SER N N 116.882 0.3 1 304 80 81 ALA H H 8.290 0.020 1 305 80 81 ALA C C 177.315 0.3 1 306 80 81 ALA CA C 51.343 0.3 1 307 80 81 ALA CB C 16.731 0.3 1 308 80 81 ALA N N 122.064 0.3 1 309 81 82 LEU H H 7.871 0.020 1 310 81 82 LEU C C 177.901 0.3 1 311 81 82 LEU CA C 56.068 0.3 1 312 81 82 LEU CB C 42.425 0.3 1 313 81 82 LEU N N 115.097 0.3 1 314 82 83 GLU H H 9.237 0.020 1 315 82 83 GLU C C 177.589 0.3 1 316 82 83 GLU CA C 53.135 0.3 1 317 82 83 GLU CB C 31.163 0.3 1 318 82 83 GLU N N 122.547 0.3 1 319 83 84 LEU H H 9.080 0.020 1 320 83 84 LEU C C 180.726 0.3 1 321 83 84 LEU CA C 58.739 0.3 1 322 83 84 LEU CB C 38.835 0.3 1 323 83 84 LEU N N 123.056 0.3 1 324 84 85 GLU H H 8.750 0.020 1 325 84 85 GLU C C 176.035 0.3 1 326 84 85 GLU CA C 57.636 0.3 1 327 84 85 GLU CB C 27.413 0.3 1 328 84 85 GLU N N 115.757 0.3 1 329 85 86 ASP H H 7.948 0.020 1 330 85 86 ASP C C 177.371 0.3 1 331 85 86 ASP CA C 54.899 0.3 1 332 85 86 ASP CB C 40.365 0.3 1 333 85 86 ASP N N 119.338 0.3 1 334 86 87 SER H H 7.636 0.020 1 335 86 87 SER CA C 59.928 0.3 1 336 86 87 SER CB C 62.725 0.3 1 337 86 87 SER N N 117.323 0.3 1 338 87 88 ALA H H 8.796 0.020 1 339 87 88 ALA C C 175.129 0.3 1 340 87 88 ALA CA C 51.398 0.3 1 341 87 88 ALA CB C 19.254 0.3 1 342 87 88 ALA N N 128.222 0.3 1 343 88 89 MET H H 7.623 0.020 1 344 88 89 MET C C 175.373 0.3 1 345 88 89 MET CA C 52.929 0.3 1 346 88 89 MET CB C 32.302 0.3 1 347 88 89 MET N N 115.686 0.3 1 348 89 90 TYR H H 8.933 0.020 1 349 89 90 TYR C C 176.572 0.3 1 350 89 90 TYR CA C 56.888 0.3 1 351 89 90 TYR CB C 39.652 0.3 1 352 89 90 TYR N N 122.005 0.3 1 353 90 91 PHE H H 9.316 0.020 1 354 90 91 PHE C C 173.235 0.3 1 355 90 91 PHE CA C 57.403 0.3 1 356 90 91 PHE CB C 42.990 0.3 1 357 90 91 PHE N N 123.199 0.3 1 358 93 94 SER H H 9.063 0.020 1 359 93 94 SER C C 172.926 0.3 1 360 93 94 SER CA C 56.060 0.3 1 361 93 94 SER CB C 68.433 0.3 1 362 93 94 SER N N 116.225 0.3 1 363 94 95 SER H H 8.786 0.020 1 364 94 95 SER C C 173.353 0.3 1 365 94 95 SER CA C 56.670 0.3 1 366 94 95 SER CB C 67.676 0.3 1 367 94 95 SER N N 113.896 0.3 1 368 95 96 LEU H H 8.507 0.020 1 369 95 96 LEU C C 177.333 0.3 1 370 95 96 LEU CA C 58.894 0.3 1 371 95 96 LEU CB C 40.407 0.3 1 372 95 96 LEU N N 122.197 0.3 1 373 96 97 ARG H H 7.737 0.020 1 374 96 97 ARG C C 176.391 0.3 1 375 96 97 ARG CA C 52.826 0.3 1 376 96 97 ARG CB C 31.366 0.3 1 377 96 97 ARG N N 113.379 0.3 1 378 98 99 GLY H H 8.051 0.020 1 379 98 99 GLY C C 173.939 0.3 1 380 98 99 GLY CA C 44.241 0.3 1 381 98 99 GLY N N 114.531 0.3 1 382 99 100 ASP H H 6.985 0.020 1 383 99 100 ASP C C 175.183 0.3 1 384 99 100 ASP CA C 53.100 0.3 1 385 99 100 ASP CB C 42.416 0.3 1 386 99 100 ASP N N 120.273 0.3 1 387 100 101 GLU H H 8.400 0.020 1 388 100 101 GLU C C 175.061 0.3 1 389 100 101 GLU CA C 56.776 0.3 1 390 100 101 GLU CB C 28.595 0.3 1 391 100 101 GLU N N 120.300 0.3 1 392 101 102 GLN H H 8.027 0.020 1 393 101 102 GLN C C 175.531 0.3 1 394 101 102 GLN CA C 54.509 0.3 1 395 101 102 GLN CB C 29.992 0.3 1 396 101 102 GLN N N 121.397 0.3 1 397 102 103 TYR H H 9.229 0.020 1 398 102 103 TYR C C 174.819 0.3 1 399 102 103 TYR CA C 56.577 0.3 1 400 102 103 TYR CB C 38.651 0.3 1 401 102 103 TYR N N 123.774 0.3 1 402 103 104 PHE H H 9.003 0.020 1 403 103 104 PHE C C 178.796 0.3 1 404 103 104 PHE CA C 58.547 0.3 1 405 103 104 PHE CB C 40.407 0.3 1 406 103 104 PHE N N 121.574 0.3 1 407 104 105 GLY H H 9.295 0.020 1 408 104 105 GLY C C 171.949 0.3 1 409 104 105 GLY CA C 43.812 0.3 1 410 104 105 GLY N N 109.759 0.3 1 411 106 107 GLY H H 7.032 0.020 1 412 106 107 GLY C C 171.969 0.3 1 413 106 107 GLY CA C 44.069 0.3 1 414 106 107 GLY N N 107.236 0.3 1 415 107 108 THR H H 8.014 0.020 1 416 107 108 THR C C 172.998 0.3 1 417 107 108 THR CA C 61.452 0.3 1 418 107 108 THR CB C 71.775 0.3 1 419 107 108 THR N N 118.623 0.3 1 420 108 109 ARG H H 8.066 0.020 1 421 108 109 ARG C C 172.837 0.3 1 422 108 109 ARG CA C 55.449 0.3 1 423 108 109 ARG CB C 29.696 0.3 1 424 108 109 ARG N N 129.201 0.3 1 425 109 110 LEU H H 8.570 0.020 1 426 109 110 LEU C C 176.373 0.3 1 427 109 110 LEU CA C 52.782 0.3 1 428 109 110 LEU CB C 44.133 0.3 1 429 109 110 LEU N N 130.950 0.3 1 430 110 111 THR H H 8.895 0.020 1 431 110 111 THR C C 171.505 0.3 1 432 110 111 THR CA C 62.750 0.3 1 433 110 111 THR CB C 68.437 0.3 1 434 110 111 THR N N 125.454 0.3 1 435 111 112 VAL H H 8.593 0.020 1 436 111 112 VAL C C 175.176 0.3 1 437 111 112 VAL CA C 59.375 0.3 1 438 111 112 VAL CB C 31.664 0.3 1 439 111 112 VAL N N 129.002 0.3 1 440 112 113 LEU H H 8.667 0.020 1 441 112 113 LEU C C 175.425 0.3 1 442 112 113 LEU CA C 57.404 0.3 1 443 112 113 LEU CB C 32.787 0.3 1 444 112 113 LEU N N 117.731 0.3 1 445 113 114 GLU H H 9.155 0.020 1 446 113 114 GLU C C 176.302 0.3 1 447 113 114 GLU CA C 58.962 0.3 1 448 113 114 GLU CB C 29.161 0.3 1 449 113 114 GLU N N 122.394 0.3 1 450 114 115 ASP H H 7.693 0.020 1 451 114 115 ASP C C 176.732 0.3 1 452 114 115 ASP CA C 52.158 0.3 1 453 114 115 ASP CB C 42.230 0.3 1 454 114 115 ASP N N 115.854 0.3 1 455 115 116 LEU H H 9.523 0.020 1 456 115 116 LEU C C 178.021 0.3 1 457 115 116 LEU CA C 56.959 0.3 1 458 115 116 LEU CB C 41.172 0.3 1 459 115 116 LEU N N 128.504 0.3 1 460 116 117 ARG H H 8.457 0.020 1 461 116 117 ARG C C 177.359 0.3 1 462 116 117 ARG CA C 57.340 0.3 1 463 116 117 ARG CB C 28.027 0.3 1 464 116 117 ARG N N 113.873 0.3 1 465 117 118 ASN H H 7.667 0.020 1 466 117 118 ASN C C 176.082 0.3 1 467 117 118 ASN CA C 53.907 0.3 1 468 117 118 ASN CB C 38.852 0.3 1 469 117 118 ASN N N 113.527 0.3 1 470 118 119 VAL H H 8.118 0.020 1 471 118 119 VAL C C 174.987 0.3 1 472 118 119 VAL CA C 64.049 0.3 1 473 118 119 VAL CB C 29.794 0.3 1 474 118 119 VAL N N 123.692 0.3 1 475 119 120 THR H H 9.388 0.020 1 476 119 120 THR C C 169.970 0.3 1 477 119 120 THR CA C 58.644 0.3 1 478 119 120 THR CB C 72.410 0.3 1 479 119 120 THR N N 123.397 0.3 1 480 122 123 LYS H H 8.527 0.020 1 481 122 123 LYS C C 176.746 0.3 1 482 122 123 LYS CA C 55.221 0.3 1 483 122 123 LYS CB C 31.681 0.3 1 484 122 123 LYS N N 119.009 0.3 1 485 123 124 VAL H H 8.686 0.020 1 486 123 124 VAL C C 174.240 0.3 1 487 123 124 VAL CA C 60.806 0.3 1 488 123 124 VAL CB C 33.178 0.3 1 489 123 124 VAL N N 126.111 0.3 1 490 124 125 SER H H 8.755 0.020 1 491 124 125 SER C C 171.327 0.3 1 492 124 125 SER CA C 56.100 0.3 1 493 124 125 SER CB C 65.550 0.3 1 494 124 125 SER N N 120.879 0.3 1 495 125 126 LEU H H 8.643 0.020 1 496 125 126 LEU C C 175.556 0.3 1 497 125 126 LEU CA C 52.953 0.3 1 498 125 126 LEU CB C 44.251 0.3 1 499 125 126 LEU N N 123.853 0.3 1 500 126 127 ARG H H 9.106 0.020 1 501 126 127 ARG C C 175.360 0.3 1 502 126 127 ARG CA C 54.229 0.3 1 503 126 127 ARG CB C 30.977 0.3 1 504 126 127 ARG N N 126.256 0.3 1 505 127 128 GLU H H 8.601 0.020 1 506 127 128 GLU C C 173.218 0.3 1 507 127 128 GLU CA C 54.356 0.3 1 508 127 128 GLU CB C 27.522 0.3 1 509 127 128 GLU N N 125.373 0.3 1 510 129 130 SER H H 8.533 0.020 1 511 129 130 SER C C 175.264 0.3 1 512 129 130 SER CA C 56.317 0.3 1 513 129 130 SER CB C 63.836 0.3 1 514 129 130 SER N N 118.543 0.3 1 515 130 131 LYS H H 8.755 0.020 1 516 130 131 LYS C C 179.091 0.3 1 517 130 131 LYS CA C 59.038 0.3 1 518 130 131 LYS CB C 30.974 0.3 1 519 130 131 LYS N N 124.793 0.3 1 520 131 132 ALA H H 8.200 0.020 1 521 131 132 ALA C C 179.589 0.3 1 522 131 132 ALA CA C 53.974 0.3 1 523 131 132 ALA CB C 17.309 0.3 1 524 131 132 ALA N N 120.999 0.3 1 525 132 133 GLU H H 7.440 0.020 1 526 132 133 GLU C C 179.003 0.3 1 527 132 133 GLU CA C 58.335 0.3 1 528 132 133 GLU CB C 28.667 0.3 1 529 132 133 GLU N N 119.187 0.3 1 530 133 134 ILE H H 7.567 0.020 1 531 133 134 ILE C C 178.290 0.3 1 532 133 134 ILE CA C 63.222 0.3 1 533 133 134 ILE CB C 37.137 0.3 1 534 133 134 ILE N N 119.347 0.3 1 535 134 135 ALA H H 7.840 0.020 1 536 134 135 ALA C C 178.754 0.3 1 537 134 135 ALA CA C 53.792 0.3 1 538 134 135 ALA CB C 17.432 0.3 1 539 134 135 ALA N N 122.026 0.3 1 540 135 136 ASN H H 8.035 0.020 1 541 135 136 ASN C C 176.070 0.3 1 542 135 136 ASN CA C 54.129 0.3 1 543 135 136 ASN CB C 38.301 0.3 1 544 135 136 ASN N N 114.079 0.3 1 545 138 139 LYS H H 7.508 0.020 1 546 138 139 LYS C C 172.721 0.3 1 547 138 139 LYS CA C 54.066 0.3 1 548 138 139 LYS CB C 34.705 0.3 1 549 138 139 LYS N N 118.577 0.3 1 550 139 140 ALA H H 8.617 0.020 1 551 139 140 ALA C C 174.759 0.3 1 552 139 140 ALA CA C 49.717 0.3 1 553 139 140 ALA CB C 20.694 0.3 1 554 139 140 ALA N N 122.657 0.3 1 555 140 141 THR H H 8.638 0.020 1 556 140 141 THR C C 174.334 0.3 1 557 140 141 THR CA C 61.060 0.3 1 558 140 141 THR CB C 67.613 0.3 1 559 140 141 THR N N 119.338 0.3 1 560 141 142 LEU H H 8.828 0.020 1 561 141 142 LEU C C 175.373 0.3 1 562 141 142 LEU CA C 54.479 0.3 1 563 141 142 LEU CB C 42.608 0.3 1 564 141 142 LEU N N 129.497 0.3 1 565 142 143 GLN H H 7.935 0.020 1 566 142 143 GLN C C 173.939 0.3 1 567 142 143 GLN CA C 53.748 0.3 1 568 142 143 GLN CB C 30.823 0.3 1 569 142 143 GLN N N 118.945 0.3 1 570 143 144 CYS H H 9.683 0.020 1 571 143 144 CYS C C 172.215 0.3 1 572 143 144 CYS CA C 52.563 0.3 1 573 143 144 CYS CB C 42.693 0.3 1 574 143 144 CYS N N 126.218 0.3 1 575 144 145 GLN H H 8.847 0.020 1 576 144 145 GLN C C 173.210 0.3 1 577 144 145 GLN CA C 54.034 0.3 1 578 144 145 GLN CB C 31.049 0.3 1 579 144 145 GLN N N 125.035 0.3 1 580 145 146 ALA H H 9.150 0.020 1 581 145 146 ALA C C 175.929 0.3 1 582 145 146 ALA CA C 48.692 0.3 1 583 145 146 ALA CB C 20.020 0.3 1 584 145 146 ALA N N 128.486 0.3 1 585 146 147 ARG H H 9.188 0.020 1 586 146 147 ARG C C 176.075 0.3 1 587 146 147 ARG CA C 54.781 0.3 1 588 146 147 ARG CB C 32.711 0.3 1 589 146 147 ARG N N 120.791 0.3 1 590 147 148 GLY H H 8.092 0.020 1 591 147 148 GLY C C 174.099 0.3 1 592 147 148 GLY CA C 46.019 0.3 1 593 147 148 GLY N N 110.282 0.3 1 594 148 149 PHE H H 7.319 0.020 1 595 148 149 PHE C C 174.106 0.3 1 596 148 149 PHE CA C 53.112 0.3 1 597 148 149 PHE CB C 40.794 0.3 1 598 148 149 PHE N N 112.424 0.3 1 599 149 150 PHE H H 9.194 0.020 1 600 149 150 PHE C C 174.423 0.3 1 601 149 150 PHE CA C 57.506 0.3 1 602 149 150 PHE CB C 41.877 0.3 1 603 149 150 PHE N N 120.041 0.3 1 604 151 152 ASP H H 8.254 0.020 1 605 151 152 ASP C C 175.520 0.3 1 606 151 152 ASP CA C 53.376 0.3 1 607 151 152 ASP CB C 36.333 0.3 1 608 151 152 ASP N N 114.798 0.3 1 609 152 153 HIS H H 7.799 0.020 1 610 152 153 HIS C C 173.584 0.3 1 611 152 153 HIS CA C 53.324 0.3 1 612 152 153 HIS CB C 27.450 0.3 1 613 152 153 HIS N N 124.350 0.3 1 614 153 154 VAL H H 7.315 0.020 1 615 153 154 VAL C C 175.556 0.3 1 616 153 154 VAL CA C 57.753 0.3 1 617 153 154 VAL CB C 34.756 0.3 1 618 153 154 VAL N N 113.474 0.3 1 619 154 155 GLU H H 8.185 0.020 1 620 154 155 GLU C C 174.312 0.3 1 621 154 155 GLU CA C 54.648 0.3 1 622 154 155 GLU CB C 32.383 0.3 1 623 154 155 GLU N N 120.498 0.3 1 624 155 156 LEU H H 9.196 0.020 1 625 155 156 LEU C C 175.531 0.3 1 626 155 156 LEU CA C 54.422 0.3 1 627 155 156 LEU CB C 44.251 0.3 1 628 155 156 LEU N N 131.338 0.3 1 629 156 157 SER H H 9.649 0.020 1 630 156 157 SER C C 171.380 0.3 1 631 156 157 SER CA C 56.370 0.3 1 632 156 157 SER CB C 66.060 0.3 1 633 156 157 SER N N 122.156 0.3 1 634 157 158 TRP H H 8.802 0.020 1 635 157 158 TRP C C 175.165 0.3 1 636 157 158 TRP CA C 56.081 0.3 1 637 157 158 TRP CB C 32.160 0.3 1 638 157 158 TRP N N 120.602 0.3 1 639 158 159 TRP H H 9.339 0.020 1 640 158 159 TRP C C 176.758 0.3 1 641 158 159 TRP CA C 54.832 0.3 1 642 158 159 TRP CB C 29.490 0.3 1 643 158 159 TRP N N 120.961 0.3 1 644 159 160 VAL H H 9.185 0.020 1 645 159 160 VAL C C 176.422 0.3 1 646 159 160 VAL CA C 59.894 0.3 1 647 159 160 VAL CB C 32.234 0.3 1 648 159 160 VAL N N 126.850 0.3 1 649 160 161 ASN H H 9.671 0.020 1 650 160 161 ASN C C 175.858 0.3 1 651 160 161 ASN CA C 54.166 0.3 1 652 160 161 ASN CB C 36.091 0.3 1 653 160 161 ASN N N 128.739 0.3 1 654 161 162 GLY H H 8.856 0.020 1 655 161 162 GLY C C 173.672 0.3 1 656 161 162 GLY CA C 44.992 0.3 1 657 161 162 GLY N N 102.340 0.3 1 658 162 163 LYS H H 7.711 0.020 1 659 162 163 LYS C C 174.134 0.3 1 660 162 163 LYS CA C 53.836 0.3 1 661 162 163 LYS CB C 33.866 0.3 1 662 162 163 LYS N N 121.157 0.3 1 663 163 164 GLU H H 8.041 0.020 1 664 163 164 GLU C C 176.799 0.3 1 665 163 164 GLU CA C 55.852 0.3 1 666 163 164 GLU CB C 27.413 0.3 1 667 163 164 GLU N N 127.841 0.3 1 668 164 165 VAL H H 7.950 0.020 1 669 164 165 VAL C C 173.726 0.3 1 670 164 165 VAL CA C 59.693 0.3 1 671 164 165 VAL CB C 33.666 0.3 1 672 164 165 VAL N N 122.588 0.3 1 673 167 168 GLY H H 8.715 0.020 1 674 167 168 GLY CA C 45.100 0.3 1 675 167 168 GLY N N 112.780 0.3 1 676 168 169 VAL H H 7.180 0.020 1 677 168 169 VAL C C 176.758 0.3 1 678 168 169 VAL CA C 61.002 0.3 1 679 168 169 VAL CB C 32.457 0.3 1 680 168 169 VAL N N 121.220 0.3 1 681 169 170 SER H H 8.959 0.020 1 682 169 170 SER C C 173.275 0.3 1 683 169 170 SER CA C 56.117 0.3 1 684 169 170 SER CB C 63.241 0.3 1 685 169 170 SER N N 123.352 0.3 1 686 170 171 THR H H 9.143 0.020 1 687 170 171 THR C C 173.601 0.3 1 688 170 171 THR CA C 60.620 0.3 1 689 170 171 THR CB C 69.330 0.3 1 690 170 171 THR N N 127.376 0.3 1 691 171 172 ASP H H 8.412 0.020 1 692 171 172 ASP C C 174.403 0.3 1 693 171 172 ASP CA C 53.448 0.3 1 694 171 172 ASP CB C 39.593 0.3 1 695 171 172 ASP N N 130.204 0.3 1 696 173 174 GLN H H 7.214 0.020 1 697 173 174 GLN C C 174.063 0.3 1 698 173 174 GLN CA C 53.448 0.3 1 699 173 174 GLN CB C 30.930 0.3 1 700 173 174 GLN N N 112.691 0.3 1 701 174 175 ALA H H 8.936 0.020 1 702 174 175 ALA C C 176.533 0.3 1 703 174 175 ALA CA C 51.747 0.3 1 704 174 175 ALA CB C 18.735 0.3 1 705 174 175 ALA N N 125.060 0.3 1 706 175 176 TYR H H 9.221 0.020 1 707 175 176 TYR C C 174.667 0.3 1 708 175 176 TYR CA C 56.100 0.3 1 709 175 176 TYR CB C 39.359 0.3 1 710 175 176 TYR N N 123.824 0.3 1 711 176 177 LYS H H 8.318 0.020 1 712 176 177 LYS C C 175.360 0.3 1 713 176 177 LYS CA C 55.967 0.3 1 714 176 177 LYS CB C 30.676 0.3 1 715 176 177 LYS N N 126.891 0.3 1 716 177 178 GLU H H 8.253 0.020 1 717 177 178 GLU C C 176.373 0.3 1 718 177 178 GLU CA C 56.884 0.3 1 719 177 178 GLU CB C 29.668 0.3 1 720 177 178 GLU N N 128.042 0.3 1 721 178 179 SER H H 7.948 0.020 1 722 178 179 SER C C 173.676 0.3 1 723 178 179 SER CA C 56.635 0.3 1 724 178 179 SER CB C 62.592 0.3 1 725 178 179 SER N N 112.204 0.3 1 726 180 181 TYR H H 7.694 0.020 1 727 180 181 TYR C C 174.081 0.3 1 728 180 181 TYR CA C 54.371 0.3 1 729 180 181 TYR CB C 36.715 0.3 1 730 180 181 TYR N N 113.105 0.3 1 731 181 182 SER H H 6.697 0.020 1 732 181 182 SER C C 172.180 0.3 1 733 181 182 SER CA C 58.114 0.3 1 734 181 182 SER CB C 63.834 0.3 1 735 181 182 SER N N 111.878 0.3 1 736 182 183 TYR H H 8.632 0.020 1 737 182 183 TYR C C 173.868 0.3 1 738 182 183 TYR CA C 56.578 0.3 1 739 182 183 TYR CB C 42.003 0.3 1 740 182 183 TYR N N 125.724 0.3 1 741 183 184 SER H H 8.881 0.020 1 742 183 184 SER C C 172.731 0.3 1 743 183 184 SER CA C 56.196 0.3 1 744 183 184 SER CB C 66.102 0.3 1 745 183 184 SER N N 110.806 0.3 1 746 184 185 LEU H H 9.239 0.020 1 747 184 185 LEU C C 174.241 0.3 1 748 184 185 LEU CA C 55.276 0.3 1 749 184 185 LEU CB C 46.693 0.3 1 750 184 185 LEU N N 123.651 0.3 1 751 185 186 SER H H 8.358 0.020 1 752 185 186 SER C C 172.180 0.3 1 753 185 186 SER CA C 56.452 0.3 1 754 185 186 SER CB C 66.178 0.3 1 755 185 186 SER N N 120.951 0.3 1 756 186 187 SER H H 8.752 0.020 1 757 186 187 SER C C 172.784 0.3 1 758 186 187 SER CA C 56.169 0.3 1 759 186 187 SER CB C 63.886 0.3 1 760 186 187 SER N N 113.331 0.3 1 761 187 188 ARG H H 8.733 0.020 1 762 187 188 ARG C C 172.997 0.3 1 763 187 188 ARG CA C 54.225 0.3 1 764 187 188 ARG CB C 32.107 0.3 1 765 187 188 ARG N N 128.029 0.3 1 766 188 189 LEU H H 7.990 0.020 1 767 188 189 LEU C C 173.619 0.3 1 768 188 189 LEU CA C 52.412 0.3 1 769 188 189 LEU CB C 40.039 0.3 1 770 188 189 LEU N N 123.512 0.3 1 771 189 190 ARG H H 8.239 0.020 1 772 189 190 ARG C C 175.627 0.3 1 773 189 190 ARG CA C 54.129 0.3 1 774 189 190 ARG CB C 30.596 0.3 1 775 189 190 ARG N N 127.670 0.3 1 776 190 191 VAL H H 8.618 0.020 1 777 190 191 VAL C C 174.579 0.3 1 778 190 191 VAL CA C 57.801 0.3 1 779 190 191 VAL CB C 34.826 0.3 1 780 190 191 VAL N N 119.103 0.3 1 781 191 192 SER H H 8.637 0.020 1 782 191 192 SER C C 175.574 0.3 1 783 191 192 SER CA C 57.991 0.3 1 784 191 192 SER CB C 62.929 0.3 1 785 191 192 SER N N 116.592 0.3 1 786 192 193 ALA H H 8.299 0.020 1 787 192 193 ALA C C 178.487 0.3 1 788 192 193 ALA CA C 55.401 0.3 1 789 192 193 ALA CB C 16.928 0.3 1 790 192 193 ALA N N 126.432 0.3 1 791 193 194 THR H H 7.940 0.020 1 792 193 194 THR C C 175.645 0.3 1 793 193 194 THR CA C 64.653 0.3 1 794 193 194 THR CB C 67.915 0.3 1 795 193 194 THR N N 108.581 0.3 1 796 194 195 PHE H H 7.624 0.020 1 797 194 195 PHE C C 178.256 0.3 1 798 194 195 PHE CA C 60.742 0.3 1 799 194 195 PHE CB C 39.812 0.3 1 800 194 195 PHE N N 124.649 0.3 1 801 195 196 TRP H H 7.747 0.020 1 802 195 196 TRP C C 173.986 0.3 1 803 195 196 TRP CA C 58.262 0.3 1 804 195 196 TRP CB C 29.161 0.3 1 805 195 196 TRP N N 119.270 0.3 1 806 196 197 HIS H H 7.535 0.020 1 807 196 197 HIS C C 174.099 0.3 1 808 196 197 HIS CA C 53.907 0.3 1 809 196 197 HIS CB C 27.650 0.3 1 810 196 197 HIS N N 111.838 0.3 1 811 197 198 ASN H H 6.837 0.020 1 812 197 198 ASN C C 174.146 0.3 1 813 197 198 ASN CA C 49.021 0.3 1 814 197 198 ASN CB C 38.135 0.3 1 815 197 198 ASN N N 118.370 0.3 1 816 199 200 ARG H H 7.581 0.020 1 817 199 200 ARG C C 176.817 0.3 1 818 199 200 ARG CA C 55.473 0.3 1 819 199 200 ARG CB C 28.529 0.3 1 820 199 200 ARG N N 115.145 0.3 1 821 200 201 ASN H H 7.617 0.020 1 822 200 201 ASN C C 171.925 0.3 1 823 200 201 ASN CA C 51.950 0.3 1 824 200 201 ASN CB C 37.745 0.3 1 825 200 201 ASN N N 117.876 0.3 1 826 201 202 HIS H H 8.170 0.020 1 827 201 202 HIS C C 172.998 0.3 1 828 201 202 HIS CA C 55.005 0.3 1 829 201 202 HIS CB C 33.866 0.3 1 830 201 202 HIS N N 122.463 0.3 1 831 202 203 PHE H H 8.425 0.020 1 832 202 203 PHE C C 173.473 0.3 1 833 202 203 PHE CA C 55.795 0.3 1 834 202 203 PHE CB C 41.136 0.3 1 835 202 203 PHE N N 124.379 0.3 1 836 203 204 ARG H H 9.143 0.020 1 837 203 204 ARG C C 173.354 0.3 1 838 203 204 ARG CA C 54.215 0.3 1 839 203 204 ARG CB C 34.237 0.3 1 840 203 204 ARG N N 121.546 0.3 1 841 204 205 CYS H H 8.809 0.020 1 842 204 205 CYS C C 171.483 0.3 1 843 204 205 CYS CA C 51.973 0.3 1 844 204 205 CYS CB C 42.322 0.3 1 845 204 205 CYS N N 127.273 0.3 1 846 205 206 GLN H H 9.193 0.020 1 847 205 206 GLN C C 173.414 0.3 1 848 205 206 GLN CA C 53.804 0.3 1 849 205 206 GLN CB C 31.937 0.3 1 850 205 206 GLN N N 127.825 0.3 1 851 206 207 VAL H H 9.073 0.020 1 852 206 207 VAL C C 174.205 0.3 1 853 206 207 VAL CA C 60.202 0.3 1 854 206 207 VAL CB C 31.344 0.3 1 855 206 207 VAL N N 127.300 0.3 1 856 207 208 GLN H H 8.781 0.020 1 857 207 208 GLN C C 173.493 0.3 1 858 207 208 GLN CA C 54.401 0.3 1 859 207 208 GLN CB C 28.896 0.3 1 860 207 208 GLN N N 128.368 0.3 1 861 208 209 PHE H H 8.733 0.020 1 862 208 209 PHE C C 172.523 0.3 1 863 208 209 PHE CA C 54.763 0.3 1 864 208 209 PHE CB C 40.724 0.3 1 865 208 209 PHE N N 128.038 0.3 1 866 209 210 HIS H H 7.539 0.020 1 867 209 210 HIS C C 173.414 0.3 1 868 209 210 HIS CA C 55.060 0.3 1 869 209 210 HIS CB C 28.556 0.3 1 870 209 210 HIS N N 127.570 0.3 1 871 210 211 GLY H H 7.617 0.020 1 872 210 211 GLY C C 174.312 0.3 1 873 210 211 GLY CA C 43.030 0.3 1 874 210 211 GLY N N 110.406 0.3 1 875 211 212 LEU H H 8.266 0.020 1 876 211 212 LEU C C 175.927 0.3 1 877 211 212 LEU CA C 53.907 0.3 1 878 211 212 LEU CB C 41.110 0.3 1 879 211 212 LEU N N 122.066 0.3 1 880 212 213 SER H H 9.231 0.020 1 881 212 213 SER C C 176.000 0.3 1 882 212 213 SER CA C 56.533 0.3 1 883 212 213 SER CB C 64.791 0.3 1 884 212 213 SER N N 116.555 0.3 1 885 214 215 GLU H H 8.328 0.020 1 886 214 215 GLU C C 176.912 0.3 1 887 214 215 GLU CA C 56.640 0.3 1 888 214 215 GLU CB C 28.677 0.3 1 889 214 215 GLU N N 115.229 0.3 1 890 215 216 ASP H H 7.182 0.020 1 891 215 216 ASP C C 175.427 0.3 1 892 215 216 ASP CA C 54.780 0.3 1 893 215 216 ASP CB C 41.507 0.3 1 894 215 216 ASP N N 120.404 0.3 1 895 216 217 LYS H H 8.468 0.020 1 896 216 217 LYS C C 175.452 0.3 1 897 216 217 LYS CA C 55.760 0.3 1 898 216 217 LYS CB C 31.668 0.3 1 899 216 217 LYS N N 123.490 0.3 1 900 217 218 TRP H H 8.207 0.020 1 901 217 218 TRP C C 173.813 0.3 1 902 217 218 TRP CA C 53.162 0.3 1 903 217 218 TRP CB C 32.289 0.3 1 904 217 218 TRP N N 123.584 0.3 1 905 220 221 GLY H H 8.582 0.020 1 906 220 221 GLY C C 173.797 0.3 1 907 220 221 GLY CA C 44.945 0.3 1 908 220 221 GLY N N 109.667 0.3 1 909 221 222 SER H H 7.633 0.020 1 910 221 222 SER C C 172.198 0.3 1 911 221 222 SER CA C 55.655 0.3 1 912 221 222 SER CB C 62.944 0.3 1 913 221 222 SER N N 115.685 0.3 1 914 223 224 LYS H H 8.368 0.020 1 915 223 224 LYS C C 176.517 0.3 1 916 223 224 LYS CA C 53.083 0.3 1 917 223 224 LYS CB C 32.658 0.3 1 918 223 224 LYS N N 127.731 0.3 1 919 225 226 VAL H H 7.527 0.020 1 920 225 226 VAL C C 175.645 0.3 1 921 225 226 VAL CA C 59.751 0.3 1 922 225 226 VAL CB C 32.086 0.3 1 923 225 226 VAL N N 117.420 0.3 1 924 226 227 THR H H 7.695 0.020 1 925 226 227 THR C C 174.614 0.3 1 926 226 227 THR CA C 63.011 0.3 1 927 226 227 THR CB C 68.437 0.3 1 928 226 227 THR N N 117.751 0.3 1 929 227 228 GLN H H 8.691 0.020 1 930 227 228 GLN C C 172.038 0.3 1 931 227 228 GLN CA C 54.215 0.3 1 932 227 228 GLN CB C 31.492 0.3 1 933 227 228 GLN N N 122.272 0.3 1 934 228 229 ASN H H 8.513 0.020 1 935 228 229 ASN C C 174.525 0.3 1 936 228 229 ASN CA C 51.150 0.3 1 937 228 229 ASN CB C 39.207 0.3 1 938 228 229 ASN N N 119.450 0.3 1 939 229 230 ILE H H 8.895 0.020 1 940 229 230 ILE C C 174.614 0.3 1 941 229 230 ILE CA C 59.922 0.3 1 942 229 230 ILE CB C 39.355 0.3 1 943 229 230 ILE N N 126.445 0.3 1 944 230 231 SER H H 8.466 0.020 1 945 230 231 SER C C 172.944 0.3 1 946 230 231 SER CA C 56.597 0.3 1 947 230 231 SER CB C 66.251 0.3 1 948 230 231 SER N N 120.413 0.3 1 949 231 232 ALA H H 8.490 0.020 1 950 231 232 ALA C C 175.112 0.3 1 951 231 232 ALA CA C 50.718 0.3 1 952 231 232 ALA CB C 22.104 0.3 1 953 231 232 ALA N N 123.650 0.3 1 954 232 233 GLU H H 8.690 0.020 1 955 232 233 GLU C C 174.490 0.3 1 956 232 233 GLU CA C 53.674 0.3 1 957 232 233 GLU CB C 33.673 0.3 1 958 232 233 GLU N N 118.477 0.3 1 959 233 234 ALA H H 8.925 0.020 1 960 233 234 ALA C C 174.779 0.3 1 961 233 234 ALA CA C 51.437 0.3 1 962 233 234 ALA CB C 21.543 0.3 1 963 233 234 ALA N N 121.867 0.3 1 964 234 235 TRP H H 8.433 0.020 1 965 234 235 TRP C C 176.204 0.3 1 966 234 235 TRP CA C 56.106 0.3 1 967 234 235 TRP CB C 30.973 0.3 1 968 234 235 TRP N N 121.403 0.3 1 969 235 236 GLY H H 8.489 0.020 1 970 235 236 GLY C C 172.008 0.3 1 971 235 236 GLY CA C 45.094 0.3 1 972 235 236 GLY N N 105.166 0.3 1 973 236 237 ARG H H 6.053 0.020 1 974 236 237 ARG C C 174.543 0.3 1 975 236 237 ARG CA C 53.976 0.3 1 976 236 237 ARG CB C 31.328 0.3 1 977 236 237 ARG N N 116.799 0.3 1 978 237 238 ALA H H 8.395 0.020 1 979 237 238 ALA C C 177.492 0.3 1 980 237 238 ALA CA C 51.724 0.3 1 981 237 238 ALA CB C 17.964 0.3 1 982 237 238 ALA N N 126.144 0.3 1 983 238 239 ASP H H 8.207 0.020 1 984 238 239 ASP C C 175.023 0.3 1 985 238 239 ASP CA C 53.444 0.3 1 986 238 239 ASP CB C 39.852 0.3 1 987 238 239 ASP N N 120.258 0.3 1 988 239 240 SER H H 7.605 0.020 1 989 239 240 SER C C 178.541 0.3 1 990 239 240 SER CA C 59.256 0.3 1 991 239 240 SER CB C 64.023 0.3 1 992 239 240 SER N N 121.075 0.3 1 stop_ save_