data_26600 ####################### # 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 ; _BMRB_accession_number 26600 _BMRB_flat_file_name bmr26600.str _Entry_type original _Submission_date 2015-07-06 _Accession_date 2015-07-06 _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 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" 198 "13C chemical shifts" 580 "15N chemical shifts" 198 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 update BMRB 'update entry citation' 2015-07-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26601 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit' 26602 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor D10 beta subunit' stop_ _Original_release_date 2015-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_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_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35 _Page_last 39 _Year 2016 _Details . loop_ _Keyword MHC 'T-cell Receptor (TCR)' immunology 'protein refolding' 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 'beta subunit' $N15_beta_TCR 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_N15_beta_TCR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N15_beta_TCR _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 239 _Mol_residue_sequence ; DSGVVQSPRHIIKEKGGRSV LTCIPISGHSNVVWYQQTLG KELKFLIQHYEKVERDKGFL PSRFSVQQFDDYHSEMNMSA LELEDSAMYFCASSLRWGDE QYFGPGTRLTVLEDLRNVTP PKVSLFEPSKAEIANKQKAT LVCLARGFFPDHVELSWWVN GKEVHSGVSTDPQAYKESNY SYSLSSRLRVSATFWHNPRN HFRCQVQFHGLSEEDKWPEG SPKPVTQNISAEAWGRADS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASP 2 2 SER 3 3 GLY 4 4 VAL 5 5 VAL 6 6 GLN 7 7 SER 8 8 PRO 9 9 ARG 10 10 HIS 11 11 ILE 12 12 ILE 13 13 LYS 14 14 GLU 15 15 LYS 16 16 GLY 17 17 GLY 18 18 ARG 19 19 SER 20 20 VAL 21 21 LEU 22 22 THR 23 23 CYS 24 24 ILE 25 25 PRO 26 26 ILE 27 27 SER 28 28 GLY 29 29 HIS 30 30 SER 31 31 ASN 32 32 VAL 33 33 VAL 34 34 TRP 35 35 TYR 36 36 GLN 37 37 GLN 38 38 THR 39 39 LEU 40 40 GLY 41 41 LYS 42 42 GLU 43 43 LEU 44 44 LYS 45 45 PHE 46 46 LEU 47 47 ILE 48 48 GLN 49 49 HIS 50 50 TYR 51 51 GLU 52 52 LYS 53 53 VAL 54 54 GLU 55 55 ARG 56 56 ASP 57 57 LYS 58 58 GLY 59 59 PHE 60 60 LEU 61 61 PRO 62 62 SER 63 63 ARG 64 64 PHE 65 65 SER 66 66 VAL 67 67 GLN 68 68 GLN 69 69 PHE 70 70 ASP 71 71 ASP 72 72 TYR 73 73 HIS 74 74 SER 75 75 GLU 76 76 MET 77 77 ASN 78 78 MET 79 79 SER 80 80 ALA 81 81 LEU 82 82 GLU 83 83 LEU 84 84 GLU 85 85 ASP 86 86 SER 87 87 ALA 88 88 MET 89 89 TYR 90 90 PHE 91 91 CYS 92 92 ALA 93 93 SER 94 94 SER 95 95 LEU 96 96 ARG 97 97 TRP 98 98 GLY 99 99 ASP 100 100 GLU 101 101 GLN 102 102 TYR 103 103 PHE 104 104 GLY 105 105 PRO 106 106 GLY 107 107 THR 108 108 ARG 109 109 LEU 110 110 THR 111 111 VAL 112 112 LEU 113 113 GLU 114 114 ASP 115 115 LEU 116 116 ARG 117 117 ASN 118 118 VAL 119 119 THR 120 120 PRO 121 121 PRO 122 122 LYS 123 123 VAL 124 124 SER 125 125 LEU 126 126 PHE 127 127 GLU 128 128 PRO 129 129 SER 130 130 LYS 131 131 ALA 132 132 GLU 133 133 ILE 134 134 ALA 135 135 ASN 136 136 LYS 137 137 GLN 138 138 LYS 139 139 ALA 140 140 THR 141 141 LEU 142 142 VAL 143 143 CYS 144 144 LEU 145 145 ALA 146 146 ARG 147 147 GLY 148 148 PHE 149 149 PHE 150 150 PRO 151 151 ASP 152 152 HIS 153 153 VAL 154 154 GLU 155 155 LEU 156 156 SER 157 157 TRP 158 158 TRP 159 159 VAL 160 160 ASN 161 161 GLY 162 162 LYS 163 163 GLU 164 164 VAL 165 165 HIS 166 166 SER 167 167 GLY 168 168 VAL 169 169 SER 170 170 THR 171 171 ASP 172 172 PRO 173 173 GLN 174 174 ALA 175 175 TYR 176 176 LYS 177 177 GLU 178 178 SER 179 179 ASN 180 180 TYR 181 181 SER 182 182 TYR 183 183 SER 184 184 LEU 185 185 SER 186 186 SER 187 187 ARG 188 188 LEU 189 189 ARG 190 190 VAL 191 191 SER 192 192 ALA 193 193 THR 194 194 PHE 195 195 TRP 196 196 HIS 197 197 ASN 198 198 PRO 199 199 ARG 200 200 ASN 201 201 HIS 202 202 PHE 203 203 ARG 204 204 CYS 205 205 GLN 206 206 VAL 207 207 GLN 208 208 PHE 209 209 HIS 210 210 GLY 211 211 LEU 212 212 SER 213 213 GLU 214 214 GLU 215 215 ASP 216 216 LYS 217 217 TRP 218 218 PRO 219 219 GLU 220 220 GLY 221 221 SER 222 222 PRO 223 223 LYS 224 224 PRO 225 225 VAL 226 226 THR 227 227 GLN 228 228 ASN 229 229 ILE 230 230 SER 231 231 ALA 232 232 GLU 233 233 ALA 234 234 TRP 235 235 GLY 236 236 ARG 237 237 ALA 238 238 ASP 239 239 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 $N15_beta_TCR 'house 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 $N15_beta_TCR 'recombinant technology' . Escherichia coli . 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 $N15_beta_TCR 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 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 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 . . . 1 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 internal indirect . . . 1 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 '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 'beta subunit' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER H H 8.291 0.020 1 2 2 2 SER C C 174.287 0.3 1 3 2 2 SER CA C 57.881 0.3 1 4 2 2 SER CB C 63.608 0.3 1 5 2 2 SER N N 116.611 0.3 1 6 3 3 GLY H H 8.032 0.020 1 7 3 3 GLY C C 172.803 0.3 1 8 3 3 GLY CA C 44.025 0.3 1 9 3 3 GLY N N 110.072 0.3 1 10 4 4 VAL H H 8.105 0.020 1 11 4 4 VAL C C 176.118 0.3 1 12 4 4 VAL CA C 62.940 0.3 1 13 4 4 VAL CB C 31.533 0.3 1 14 4 4 VAL N N 123.962 0.3 1 15 5 5 VAL H H 8.219 0.020 1 16 5 5 VAL C C 175.625 0.3 1 17 5 5 VAL CA C 60.693 0.3 1 18 5 5 VAL CB C 33.162 0.3 1 19 5 5 VAL N N 128.920 0.3 1 20 6 6 GLN H H 8.153 0.020 1 21 6 6 GLN C C 174.427 0.3 1 22 6 6 GLN CA C 54.588 0.3 1 23 6 6 GLN CB C 34.469 0.3 1 24 6 6 GLN N N 123.261 0.3 1 25 7 7 SER H H 8.210 0.020 1 26 7 7 SER C C 171.959 0.3 1 27 7 7 SER CA C 54.664 0.3 1 28 7 7 SER CB C 64.205 0.3 1 29 7 7 SER N N 115.582 0.3 1 30 10 10 HIS H H 7.622 0.020 1 31 10 10 HIS C C 174.399 0.3 1 32 10 10 HIS CA C 55.253 0.3 1 33 10 10 HIS CB C 33.844 0.3 1 34 10 10 HIS N N 118.695 0.3 1 35 11 11 ILE H H 8.829 0.020 1 36 11 11 ILE C C 172.905 0.3 1 37 11 11 ILE CA C 60.324 0.3 1 38 11 11 ILE CB C 40.913 0.3 1 39 11 11 ILE N N 121.375 0.3 1 40 12 12 ILE H H 8.131 0.020 1 41 12 12 ILE C C 175.152 0.3 1 42 12 12 ILE CA C 59.407 0.3 1 43 12 12 ILE CB C 38.975 0.3 1 44 12 12 ILE N N 128.031 0.3 1 45 13 13 LYS H H 8.519 0.020 1 46 13 13 LYS C C 173.862 0.3 1 47 13 13 LYS CA C 51.208 0.3 1 48 13 13 LYS CB C 36.862 0.3 1 49 13 13 LYS N N 124.896 0.3 1 50 14 14 GLU H H 8.860 0.020 1 51 14 14 GLU C C 175.608 0.3 1 52 14 14 GLU CA C 54.189 0.3 1 53 14 14 GLU CB C 30.380 0.3 1 54 14 14 GLU N N 121.852 0.3 1 55 15 15 LYS H H 7.914 0.020 1 56 15 15 LYS C C 176.733 0.3 1 57 15 15 LYS CA C 57.237 0.3 1 58 15 15 LYS CB C 31.486 0.3 1 59 15 15 LYS N N 123.305 0.3 1 60 16 16 GLY H H 9.985 0.020 1 61 16 16 GLY C C 175.110 0.3 1 62 16 16 GLY CA C 44.274 0.3 1 63 16 16 GLY N N 117.118 0.3 1 64 17 17 GLY H H 8.361 0.020 1 65 17 17 GLY C C 169.749 0.3 1 66 17 17 GLY CA C 44.096 0.3 1 67 17 17 GLY N N 109.521 0.3 1 68 18 18 ARG H H 7.981 0.020 1 69 18 18 ARG C C 175.291 0.3 1 70 18 18 ARG CA C 53.305 0.3 1 71 18 18 ARG CB C 32.781 0.3 1 72 18 18 ARG N N 114.666 0.3 1 73 19 19 SER H H 8.367 0.020 1 74 19 19 SER C C 172.200 0.3 1 75 19 19 SER CA C 57.201 0.3 1 76 19 19 SER CB C 65.916 0.3 1 77 19 19 SER N N 114.530 0.3 1 78 20 20 VAL H H 7.719 0.020 1 79 20 20 VAL C C 174.802 0.3 1 80 20 20 VAL CA C 60.673 0.3 1 81 20 20 VAL CB C 33.128 0.3 1 82 20 20 VAL N N 121.332 0.3 1 83 21 21 LEU H H 8.917 0.020 1 84 21 21 LEU C C 175.899 0.3 1 85 21 21 LEU CA C 54.114 0.3 1 86 21 21 LEU CB C 41.988 0.3 1 87 21 21 LEU N N 131.332 0.3 1 88 22 22 THR H H 9.033 0.020 1 89 22 22 THR C C 173.711 0.3 1 90 22 22 THR CA C 62.546 0.3 1 91 22 22 THR CB C 70.012 0.3 1 92 22 22 THR N N 116.739 0.3 1 93 23 23 CYS H H 9.375 0.020 1 94 23 23 CYS C C 172.771 0.3 1 95 23 23 CYS CA C 53.653 0.3 1 96 23 23 CYS CB C 44.461 0.3 1 97 23 23 CYS N N 127.095 0.3 1 98 24 24 ILE H H 9.491 0.020 1 99 24 24 ILE C C 173.577 0.3 1 100 24 24 ILE CA C 57.190 0.3 1 101 24 24 ILE CB C 37.311 0.3 1 102 24 24 ILE N N 130.915 0.3 1 103 26 26 ILE H H 6.472 0.020 1 104 26 26 ILE C C 175.742 0.3 1 105 26 26 ILE CA C 61.927 0.3 1 106 26 26 ILE CB C 35.770 0.3 1 107 26 26 ILE N N 122.094 0.3 1 108 27 27 SER H H 7.969 0.020 1 109 27 27 SER C C 175.158 0.3 1 110 27 27 SER CA C 59.716 0.3 1 111 27 27 SER CB C 61.901 0.3 1 112 27 27 SER N N 120.846 0.3 1 113 28 28 GLY H H 8.325 0.020 1 114 28 28 GLY C C 174.349 0.3 1 115 28 28 GLY CA C 44.486 0.3 1 116 28 28 GLY N N 115.667 0.3 1 117 29 29 HIS H H 8.462 0.020 1 118 29 29 HIS C C 175.767 0.3 1 119 29 29 HIS CA C 56.081 0.3 1 120 29 29 HIS CB C 31.418 0.3 1 121 29 29 HIS N N 121.168 0.3 1 122 30 30 SER H H 7.849 0.020 1 123 30 30 SER C C 173.728 0.3 1 124 30 30 SER CA C 57.293 0.3 1 125 30 30 SER CB C 64.348 0.3 1 126 30 30 SER N N 112.981 0.3 1 127 31 31 ASN H H 8.052 0.020 1 128 31 31 ASN C C 173.601 0.3 1 129 31 31 ASN CA C 52.358 0.3 1 130 31 31 ASN CB C 40.624 0.3 1 131 31 31 ASN N N 124.231 0.3 1 132 32 32 VAL H H 9.185 0.020 1 133 32 32 VAL C C 174.473 0.3 1 134 32 32 VAL CA C 61.430 0.3 1 135 32 32 VAL CB C 34.398 0.3 1 136 32 32 VAL N N 125.461 0.3 1 137 33 33 VAL H H 9.125 0.020 1 138 33 33 VAL C C 174.037 0.3 1 139 33 33 VAL CA C 59.610 0.3 1 140 33 33 VAL CB C 34.511 0.3 1 141 33 33 VAL N N 129.881 0.3 1 142 34 34 TRP H H 8.202 0.020 1 143 34 34 TRP C C 175.313 0.3 1 144 34 34 TRP CA C 55.537 0.3 1 145 34 34 TRP CB C 32.403 0.3 1 146 34 34 TRP N N 121.959 0.3 1 147 35 35 TYR H H 9.663 0.020 1 148 35 35 TYR C C 174.814 0.3 1 149 35 35 TYR CA C 56.421 0.3 1 150 35 35 TYR CB C 44.177 0.3 1 151 35 35 TYR N N 117.858 0.3 1 152 36 36 GLN H H 9.424 0.020 1 153 36 36 GLN C C 174.147 0.3 1 154 36 36 GLN CA C 53.346 0.3 1 155 36 36 GLN CB C 33.382 0.3 1 156 36 36 GLN N N 122.339 0.3 1 157 37 37 GLN H H 9.367 0.020 1 158 37 37 GLN C C 175.448 0.3 1 159 37 37 GLN CA C 54.473 0.3 1 160 37 37 GLN CB C 31.047 0.3 1 161 37 37 GLN N N 128.427 0.3 1 162 38 38 THR H H 9.016 0.020 1 163 38 38 THR C C 174.490 0.3 1 164 38 38 THR CA C 61.496 0.3 1 165 38 38 THR CB C 69.405 0.3 1 166 38 38 THR N N 125.151 0.3 1 167 39 39 LEU H H 8.451 0.020 1 168 39 39 LEU C C 178.195 0.3 1 169 39 39 LEU CA C 56.530 0.3 1 170 39 39 LEU CB C 40.496 0.3 1 171 39 39 LEU N N 124.562 0.3 1 172 40 40 GLY H H 8.537 0.020 1 173 40 40 GLY C C 173.979 0.3 1 174 40 40 GLY CA C 45.037 0.3 1 175 40 40 GLY N N 111.420 0.3 1 176 41 41 LYS H H 7.974 0.020 1 177 41 41 LYS C C 175.809 0.3 1 178 41 41 LYS CA C 54.580 0.3 1 179 41 41 LYS CB C 31.162 0.3 1 180 41 41 LYS N N 118.508 0.3 1 181 42 42 GLU H H 8.076 0.020 1 182 42 42 GLU C C 175.865 0.3 1 183 42 42 GLU CA C 55.501 0.3 1 184 42 42 GLU CB C 29.306 0.3 1 185 42 42 GLU N N 119.679 0.3 1 186 43 43 LEU H H 8.363 0.020 1 187 43 43 LEU C C 176.347 0.3 1 188 43 43 LEU CA C 55.041 0.3 1 189 43 43 LEU CB C 41.655 0.3 1 190 43 43 LEU N N 123.294 0.3 1 191 44 44 LYS H H 9.271 0.020 1 192 44 44 LYS C C 175.908 0.3 1 193 44 44 LYS CA C 54.729 0.3 1 194 44 44 LYS CB C 33.108 0.3 1 195 44 44 LYS N N 125.940 0.3 1 196 45 45 PHE H H 9.208 0.020 1 197 45 45 PHE C C 174.591 0.3 1 198 45 45 PHE CA C 58.392 0.3 1 199 45 45 PHE CB C 38.765 0.3 1 200 45 45 PHE N N 128.222 0.3 1 201 46 46 LEU H H 8.419 0.020 1 202 46 46 LEU C C 174.792 0.3 1 203 46 46 LEU CA C 55.451 0.3 1 204 46 46 LEU CB C 41.701 0.3 1 205 46 46 LEU N N 126.131 0.3 1 206 47 47 ILE H H 6.662 0.020 1 207 47 47 ILE C C 169.879 0.3 1 208 47 47 ILE CA C 60.476 0.3 1 209 47 47 ILE CB C 38.539 0.3 1 210 47 47 ILE N N 115.050 0.3 1 211 48 48 GLN H H 7.909 0.020 1 212 48 48 GLN C C 172.905 0.3 1 213 48 48 GLN CA C 53.558 0.3 1 214 48 48 GLN CB C 31.914 0.3 1 215 48 48 GLN N N 124.141 0.3 1 216 63 63 ARG H H 6.492 0.020 1 217 63 63 ARG C C 175.640 0.3 1 218 63 63 ARG CA C 55.836 0.3 1 219 63 63 ARG CB C 28.602 0.3 1 220 63 63 ARG N N 115.661 0.3 1 221 64 64 PHE H H 8.015 0.020 1 222 64 64 PHE C C 173.728 0.3 1 223 64 64 PHE CA C 52.278 0.3 1 224 64 64 PHE CB C 38.020 0.3 1 225 64 64 PHE N N 122.342 0.3 1 226 65 65 SER H H 8.532 0.020 1 227 65 65 SER C C 172.788 0.3 1 228 65 65 SER CA C 56.422 0.3 1 229 65 65 SER CB C 64.348 0.3 1 230 65 65 SER N N 113.688 0.3 1 231 66 66 VAL H H 8.846 0.020 1 232 66 66 VAL CA C 59.926 0.3 1 233 66 66 VAL CB C 31.161 0.3 1 234 66 66 VAL N N 125.443 0.3 1 235 69 69 PHE H H 8.056 0.020 1 236 69 69 PHE C C 176.685 0.3 1 237 69 69 PHE CA C 57.520 0.3 1 238 69 69 PHE CB C 39.949 0.3 1 239 69 69 PHE N N 124.737 0.3 1 240 70 70 ASP H H 8.644 0.020 1 241 70 70 ASP C C 175.910 0.3 1 242 70 70 ASP CA C 56.895 0.3 1 243 70 70 ASP CB C 39.969 0.3 1 244 70 70 ASP N N 119.992 0.3 1 245 71 71 ASP H H 7.573 0.020 1 246 71 71 ASP C C 176.649 0.3 1 247 71 71 ASP CA C 52.621 0.3 1 248 71 71 ASP CB C 38.539 0.3 1 249 71 71 ASP N N 115.875 0.3 1 250 72 72 TYR H H 8.001 0.020 1 251 72 72 TYR C C 175.054 0.3 1 252 72 72 TYR CA C 60.106 0.3 1 253 72 72 TYR CB C 34.089 0.3 1 254 72 72 TYR N N 111.818 0.3 1 255 73 73 HIS H H 8.205 0.020 1 256 73 73 HIS C C 172.133 0.3 1 257 73 73 HIS CA C 55.655 0.3 1 258 73 73 HIS CB C 25.484 0.3 1 259 73 73 HIS N N 118.145 0.3 1 260 74 74 SER H H 8.914 0.020 1 261 74 74 SER C C 174.231 0.3 1 262 74 74 SER CA C 55.041 0.3 1 263 74 74 SER CB C 65.392 0.3 1 264 74 74 SER N N 115.192 0.3 1 265 75 75 GLU H H 8.622 0.020 1 266 75 75 GLU C C 174.584 0.3 1 267 75 75 GLU CA C 53.845 0.3 1 268 75 75 GLU CB C 32.012 0.3 1 269 75 75 GLU N N 124.731 0.3 1 270 76 76 MET H H 9.091 0.020 1 271 76 76 MET C C 173.174 0.3 1 272 76 76 MET CA C 53.238 0.3 1 273 76 76 MET CB C 33.199 0.3 1 274 76 76 MET N N 124.863 0.3 1 275 77 77 ASN H H 9.234 0.020 1 276 77 77 ASN C C 174.231 0.3 1 277 77 77 ASN CA C 52.296 0.3 1 278 77 77 ASN CB C 39.281 0.3 1 279 77 77 ASN N N 127.567 0.3 1 280 78 78 MET H H 8.678 0.020 1 281 78 78 MET C C 173.911 0.3 1 282 78 78 MET CA C 54.361 0.3 1 283 78 78 MET CB C 33.866 0.3 1 284 78 78 MET N N 124.394 0.3 1 285 79 79 SER H H 7.575 0.020 1 286 79 79 SER C C 170.923 0.3 1 287 79 79 SER CA C 56.542 0.3 1 288 79 79 SER CB C 65.318 0.3 1 289 79 79 SER N N 117.001 0.3 1 290 80 80 ALA H H 8.267 0.020 1 291 80 80 ALA C C 177.236 0.3 1 292 80 80 ALA CA C 51.343 0.3 1 293 80 80 ALA CB C 16.731 0.3 1 294 80 80 ALA N N 122.032 0.3 1 295 81 81 LEU H H 7.876 0.020 1 296 81 81 LEU C C 177.824 0.3 1 297 81 81 LEU CA C 56.068 0.3 1 298 81 81 LEU CB C 42.425 0.3 1 299 81 81 LEU N N 115.148 0.3 1 300 82 82 GLU H H 9.232 0.020 1 301 82 82 GLU C C 177.589 0.3 1 302 82 82 GLU CA C 53.135 0.3 1 303 82 82 GLU CB C 31.163 0.3 1 304 82 82 GLU N N 122.669 0.3 1 305 83 83 LEU H H 9.046 0.020 1 306 83 83 LEU C C 180.846 0.3 1 307 83 83 LEU CA C 58.739 0.3 1 308 83 83 LEU CB C 38.835 0.3 1 309 83 83 LEU N N 123.056 0.3 1 310 84 84 GLU H H 8.788 0.020 1 311 84 84 GLU C C 175.977 0.3 1 312 84 84 GLU CA C 57.636 0.3 1 313 84 84 GLU CB C 27.413 0.3 1 314 84 84 GLU N N 115.829 0.3 1 315 85 85 ASP H H 7.922 0.020 1 316 85 85 ASP C C 177.371 0.3 1 317 85 85 ASP CA C 54.899 0.3 1 318 85 85 ASP CB C 40.365 0.3 1 319 85 85 ASP N N 119.564 0.3 1 320 86 86 SER H H 7.677 0.020 1 321 86 86 SER C C 173.609 0.3 1 322 86 86 SER CA C 59.928 0.3 1 323 86 86 SER CB C 62.725 0.3 1 324 86 86 SER N N 117.305 0.3 1 325 87 87 ALA H H 8.755 0.020 1 326 87 87 ALA C C 175.054 0.3 1 327 87 87 ALA CA C 51.398 0.3 1 328 87 87 ALA CB C 19.254 0.3 1 329 87 87 ALA N N 128.341 0.3 1 330 88 88 MET H H 7.645 0.020 1 331 88 88 MET C C 175.272 0.3 1 332 88 88 MET CA C 52.929 0.3 1 333 88 88 MET CB C 32.655 0.3 1 334 88 88 MET N N 115.865 0.3 1 335 89 89 TYR H H 8.951 0.020 1 336 89 89 TYR C C 176.514 0.3 1 337 89 89 TYR CA C 56.888 0.3 1 338 89 89 TYR CB C 39.652 0.3 1 339 89 89 TYR N N 122.023 0.3 1 340 90 90 PHE H H 9.326 0.020 1 341 90 90 PHE C C 173.241 0.3 1 342 90 90 PHE CA C 57.403 0.3 1 343 90 90 PHE CB C 42.990 0.3 1 344 90 90 PHE N N 123.270 0.3 1 345 93 93 SER H H 9.062 0.020 1 346 93 93 SER C C 172.905 0.3 1 347 93 93 SER CA C 56.060 0.3 1 348 93 93 SER CB C 68.433 0.3 1 349 93 93 SER N N 116.333 0.3 1 350 94 94 SER H H 8.807 0.020 1 351 94 94 SER C C 173.308 0.3 1 352 94 94 SER CA C 56.670 0.3 1 353 94 94 SER CB C 67.676 0.3 1 354 94 94 SER N N 113.989 0.3 1 355 95 95 LEU H H 8.510 0.020 1 356 95 95 LEU C C 177.236 0.3 1 357 95 95 LEU CA C 58.894 0.3 1 358 95 95 LEU CB C 40.407 0.3 1 359 95 95 LEU N N 122.233 0.3 1 360 96 96 ARG H H 7.747 0.020 1 361 96 96 ARG C C 173.812 0.3 1 362 96 96 ARG CA C 52.703 0.3 1 363 96 96 ARG CB C 31.366 0.3 1 364 96 96 ARG N N 113.340 0.3 1 365 99 99 ASP H H 6.981 0.020 1 366 99 99 ASP C C 174.601 0.3 1 367 99 99 ASP CA C 53.100 0.3 1 368 99 99 ASP CB C 42.416 0.3 1 369 99 99 ASP N N 120.263 0.3 1 370 100 100 GLU H H 8.431 0.020 1 371 100 100 GLU C C 175.104 0.3 1 372 100 100 GLU CA C 56.615 0.3 1 373 100 100 GLU CB C 28.595 0.3 1 374 100 100 GLU N N 120.340 0.3 1 375 101 101 GLN H H 8.029 0.020 1 376 101 101 GLN C C 175.541 0.3 1 377 101 101 GLN CA C 54.509 0.3 1 378 101 101 GLN CB C 30.116 0.3 1 379 101 101 GLN N N 121.303 0.3 1 380 102 102 TYR H H 9.229 0.020 1 381 102 102 TYR C C 174.802 0.3 1 382 102 102 TYR CA C 56.523 0.3 1 383 102 102 TYR CB C 38.961 0.3 1 384 102 102 TYR N N 123.774 0.3 1 385 103 103 PHE H H 9.007 0.020 1 386 103 103 PHE C C 178.747 0.3 1 387 103 103 PHE CA C 58.547 0.3 1 388 103 103 PHE CB C 40.407 0.3 1 389 103 103 PHE N N 121.738 0.3 1 390 104 104 GLY H H 9.291 0.020 1 391 104 104 GLY C C 171.965 0.3 1 392 104 104 GLY CA C 43.812 0.3 1 393 104 104 GLY N N 109.743 0.3 1 394 106 106 GLY H H 7.022 0.020 1 395 106 106 GLY C C 171.999 0.3 1 396 106 106 GLY CA C 44.069 0.3 1 397 106 106 GLY N N 107.195 0.3 1 398 107 107 THR H H 8.020 0.020 1 399 107 107 THR C C 172.993 0.3 1 400 107 107 THR CA C 61.452 0.3 1 401 107 107 THR CB C 71.775 0.3 1 402 107 107 THR N N 118.705 0.3 1 403 108 108 ARG H H 8.074 0.020 1 404 108 108 ARG C C 172.748 0.3 1 405 108 108 ARG CA C 55.449 0.3 1 406 108 108 ARG CB C 29.696 0.3 1 407 108 108 ARG N N 129.222 0.3 1 408 109 109 LEU H H 8.589 0.020 1 409 109 109 LEU C C 176.176 0.3 1 410 109 109 LEU CA C 52.782 0.3 1 411 109 109 LEU CB C 44.133 0.3 1 412 109 109 LEU N N 130.676 0.3 1 413 110 110 THR H H 8.929 0.020 1 414 110 110 THR C C 171.381 0.3 1 415 110 110 THR CA C 62.750 0.3 1 416 110 110 THR CB C 68.437 0.3 1 417 110 110 THR N N 126.207 0.3 1 418 111 111 VAL H H 8.563 0.020 1 419 111 111 VAL C C 174.164 0.3 1 420 111 111 VAL CA C 59.562 0.3 1 421 111 111 VAL CB C 31.664 0.3 1 422 111 111 VAL N N 128.488 0.3 1 423 112 112 LEU H H 8.572 0.020 1 424 112 112 LEU C C 176.850 0.3 1 425 112 112 LEU CA C 51.781 0.3 1 426 112 112 LEU CB C 44.565 0.3 1 427 112 112 LEU N N 123.964 0.3 1 428 113 113 GLU H H 8.959 0.020 1 429 113 113 GLU C C 176.179 0.3 1 430 113 113 GLU CA C 58.833 0.3 1 431 113 113 GLU CB C 29.148 0.3 1 432 113 113 GLU N N 120.201 0.3 1 433 114 114 ASP H H 7.626 0.020 1 434 114 114 ASP C C 176.211 0.3 1 435 114 114 ASP CA C 52.415 0.3 1 436 114 114 ASP CB C 41.991 0.3 1 437 114 114 ASP N N 114.621 0.3 1 438 115 115 LEU H H 9.219 0.020 1 439 115 115 LEU C C 177.841 0.3 1 440 115 115 LEU CA C 55.703 0.3 1 441 115 115 LEU CB C 40.386 0.3 1 442 115 115 LEU N N 123.992 0.3 1 443 116 116 ARG H H 8.341 0.020 1 444 116 116 ARG C C 177.035 0.3 1 445 116 116 ARG CA C 57.726 0.3 1 446 116 116 ARG CB C 28.187 0.3 1 447 116 116 ARG N N 115.504 0.3 1 448 117 117 ASN H H 7.530 0.020 1 449 117 117 ASN C C 175.524 0.3 1 450 117 117 ASN CA C 53.598 0.3 1 451 117 117 ASN CB C 38.852 0.3 1 452 117 117 ASN N N 112.936 0.3 1 453 118 118 VAL H H 7.919 0.020 1 454 118 118 VAL C C 175.306 0.3 1 455 118 118 VAL CA C 64.215 0.3 1 456 118 118 VAL CB C 29.794 0.3 1 457 118 118 VAL N N 123.603 0.3 1 458 119 119 THR H H 9.472 0.020 1 459 119 119 THR C C 169.984 0.3 1 460 119 119 THR CA C 58.830 0.3 1 461 119 119 THR CB C 72.410 0.3 1 462 119 119 THR N N 123.829 0.3 1 463 122 122 LYS H H 8.530 0.020 1 464 122 122 LYS C C 176.649 0.3 1 465 122 122 LYS CA C 55.221 0.3 1 466 122 122 LYS CB C 31.681 0.3 1 467 122 122 LYS N N 119.152 0.3 1 468 123 123 VAL H H 8.629 0.020 1 469 123 123 VAL C C 174.517 0.3 1 470 123 123 VAL CA C 60.899 0.3 1 471 123 123 VAL CB C 33.178 0.3 1 472 123 123 VAL N N 126.192 0.3 1 473 124 124 SER H H 8.839 0.020 1 474 124 124 SER C C 169.917 0.3 1 475 124 124 SER CA C 56.426 0.3 1 476 124 124 SER CB C 65.550 0.3 1 477 124 124 SER N N 122.383 0.3 1 478 125 125 LEU H H 8.239 0.020 1 479 125 125 LEU C C 175.289 0.3 1 480 125 125 LEU CA C 52.597 0.3 1 481 125 125 LEU CB C 44.251 0.3 1 482 125 125 LEU N N 124.013 0.3 1 483 126 126 PHE H H 9.491 0.020 1 484 126 126 PHE C C 174.886 0.3 1 485 126 126 PHE CA C 55.857 0.3 1 486 126 126 PHE CB C 38.984 0.3 1 487 126 126 PHE N N 125.934 0.3 1 488 127 127 GLU H H 8.418 0.020 1 489 127 127 GLU C C 176.162 0.3 1 490 127 127 GLU CA C 54.132 0.3 1 491 127 127 GLU CB C 27.522 0.3 1 492 127 127 GLU N N 121.463 0.3 1 493 129 129 SER H H 8.665 0.020 1 494 129 129 SER C C 175.423 0.3 1 495 129 129 SER CA C 56.691 0.3 1 496 129 129 SER CB C 63.701 0.3 1 497 129 129 SER N N 118.367 0.3 1 498 130 130 LYS H H 8.711 0.020 1 499 130 130 LYS C C 178.982 0.3 1 500 130 130 LYS CA C 58.936 0.3 1 501 130 130 LYS CB C 31.107 0.3 1 502 130 130 LYS N N 125.253 0.3 1 503 131 131 ALA H H 8.158 0.020 1 504 131 131 ALA C C 179.503 0.3 1 505 131 131 ALA CA C 53.974 0.3 1 506 131 131 ALA CB C 17.309 0.3 1 507 131 131 ALA N N 121.035 0.3 1 508 132 132 GLU H H 7.418 0.020 1 509 132 132 GLU C C 179.217 0.3 1 510 132 132 GLU CA C 58.335 0.3 1 511 132 132 GLU CB C 28.667 0.3 1 512 132 132 GLU N N 119.564 0.3 1 513 133 133 ILE H H 7.574 0.020 1 514 133 133 ILE C C 178.765 0.3 1 515 133 133 ILE CA C 63.395 0.3 1 516 133 133 ILE CB C 28.828 0.3 1 517 133 133 ILE N N 119.698 0.3 1 518 134 134 ALA H H 7.937 0.020 1 519 134 134 ALA C C 178.765 0.3 1 520 134 134 ALA CA C 53.907 0.3 1 521 134 134 ALA CB C 17.432 0.3 1 522 134 134 ALA N N 122.127 0.3 1 523 135 135 ASN H H 7.835 0.020 1 524 135 135 ASN C C 176.083 0.3 1 525 135 135 ASN CA C 54.047 0.3 1 526 135 135 ASN CB C 38.320 0.3 1 527 135 135 ASN N N 113.395 0.3 1 528 136 136 LYS H H 8.174 0.020 1 529 136 136 LYS C C 172.433 0.3 1 530 136 136 LYS CA C 55.361 0.3 1 531 136 136 LYS CB C 38.614 0.3 1 532 136 136 LYS N N 115.538 0.3 1 533 139 139 ALA H H 8.572 0.020 1 534 139 139 ALA C C 174.775 0.3 1 535 139 139 ALA CA C 49.717 0.3 1 536 139 139 ALA CB C 20.717 0.3 1 537 139 139 ALA N N 122.282 0.3 1 538 140 140 THR H H 8.826 0.020 1 539 140 140 THR C C 174.196 0.3 1 540 140 140 THR CA C 61.241 0.3 1 541 140 140 THR CB C 67.445 0.3 1 542 140 140 THR N N 120.266 0.3 1 543 141 141 LEU H H 8.819 0.020 1 544 141 141 LEU C C 175.371 0.3 1 545 141 141 LEU CA C 54.576 0.3 1 546 141 141 LEU CB C 42.471 0.3 1 547 141 141 LEU N N 129.925 0.3 1 548 142 142 VAL H H 7.793 0.020 1 549 142 142 VAL C C 174.021 0.3 1 550 142 142 VAL CA C 60.460 0.3 1 551 142 142 VAL CB C 33.659 0.3 1 552 142 142 VAL N N 120.113 0.3 1 553 143 143 CYS H H 9.692 0.020 1 554 143 143 CYS C C 171.460 0.3 1 555 143 143 CYS CA C 52.372 0.3 1 556 143 143 CYS CB C 42.693 0.3 1 557 143 143 CYS N N 127.507 0.3 1 558 144 144 LEU H H 8.929 0.020 1 559 144 144 LEU C C 173.795 0.3 1 560 144 144 LEU CA C 52.926 0.3 1 561 144 144 LEU CB C 44.844 0.3 1 562 144 144 LEU N N 127.952 0.3 1 563 145 145 ALA H H 9.210 0.020 1 564 145 145 ALA C C 175.438 0.3 1 565 145 145 ALA CA C 48.579 0.3 1 566 145 145 ALA CB C 19.851 0.3 1 567 145 145 ALA N N 129.594 0.3 1 568 146 146 ARG H H 9.125 0.020 1 569 146 146 ARG C C 176.048 0.3 1 570 146 146 ARG CA C 54.781 0.3 1 571 146 146 ARG CB C 32.383 0.3 1 572 146 146 ARG N N 119.736 0.3 1 573 147 147 GLY H H 8.023 0.020 1 574 147 147 GLY C C 174.030 0.3 1 575 147 147 GLY CA C 45.790 0.3 1 576 147 147 GLY N N 110.038 0.3 1 577 148 148 PHE H H 7.272 0.020 1 578 148 148 PHE C C 174.129 0.3 1 579 148 148 PHE CA C 53.038 0.3 1 580 148 148 PHE CB C 40.839 0.3 1 581 148 148 PHE N N 112.436 0.3 1 582 149 149 PHE H H 9.261 0.020 1 583 149 149 PHE C C 174.427 0.3 1 584 149 149 PHE CA C 57.856 0.3 1 585 149 149 PHE CB C 41.877 0.3 1 586 149 149 PHE N N 120.517 0.3 1 587 151 151 ASP H H 8.316 0.020 1 588 151 151 ASP C C 175.490 0.3 1 589 151 151 ASP CA C 53.376 0.3 1 590 151 151 ASP CB C 36.333 0.3 1 591 151 151 ASP N N 114.727 0.3 1 592 152 152 HIS H H 7.841 0.020 1 593 152 152 HIS C C 173.476 0.3 1 594 152 152 HIS CA C 53.324 0.3 1 595 152 152 HIS CB C 27.450 0.3 1 596 152 152 HIS N N 124.213 0.3 1 597 153 153 VAL H H 7.236 0.020 1 598 153 153 VAL C C 175.440 0.3 1 599 153 153 VAL CA C 57.753 0.3 1 600 153 153 VAL CB C 34.756 0.3 1 601 153 153 VAL N N 113.560 0.3 1 602 154 154 GLU H H 8.247 0.020 1 603 154 154 GLU C C 174.231 0.3 1 604 154 154 GLU CA C 54.648 0.3 1 605 154 154 GLU CB C 32.383 0.3 1 606 154 154 GLU N N 120.960 0.3 1 607 155 155 LEU H H 9.179 0.020 1 608 155 155 LEU C C 175.557 0.3 1 609 155 155 LEU CA C 54.422 0.3 1 610 155 155 LEU CB C 44.251 0.3 1 611 155 155 LEU N N 131.220 0.3 1 612 156 156 SER H H 9.638 0.020 1 613 156 156 SER C C 171.327 0.3 1 614 156 156 SER CA C 56.370 0.3 1 615 156 156 SER CB C 66.060 0.3 1 616 156 156 SER N N 122.067 0.3 1 617 157 157 TRP H H 8.797 0.020 1 618 157 157 TRP C C 175.222 0.3 1 619 157 157 TRP CA C 56.081 0.3 1 620 157 157 TRP CB C 32.160 0.3 1 621 157 157 TRP N N 120.703 0.3 1 622 158 158 TRP H H 9.335 0.020 1 623 158 158 TRP C C 176.766 0.3 1 624 158 158 TRP CA C 54.832 0.3 1 625 158 158 TRP CB C 29.490 0.3 1 626 158 158 TRP N N 120.939 0.3 1 627 159 159 VAL H H 9.180 0.020 1 628 159 159 VAL C C 176.429 0.3 1 629 159 159 VAL CA C 59.894 0.3 1 630 159 159 VAL CB C 32.234 0.3 1 631 159 159 VAL N N 126.945 0.3 1 632 160 160 ASN H H 9.713 0.020 1 633 160 160 ASN C C 175.860 0.3 1 634 160 160 ASN CA C 54.166 0.3 1 635 160 160 ASN CB C 36.091 0.3 1 636 160 160 ASN N N 128.887 0.3 1 637 161 161 GLY H H 8.884 0.020 1 638 161 161 GLY C C 173.593 0.3 1 639 161 161 GLY CA C 44.992 0.3 1 640 161 161 GLY N N 102.388 0.3 1 641 162 162 LYS H H 7.716 0.020 1 642 162 162 LYS C C 174.114 0.3 1 643 162 162 LYS CA C 53.836 0.3 1 644 162 162 LYS CB C 33.866 0.3 1 645 162 162 LYS N N 121.104 0.3 1 646 163 163 GLU H H 8.046 0.020 1 647 163 163 GLU C C 176.682 0.3 1 648 163 163 GLU CA C 55.852 0.3 1 649 163 163 GLU CB C 27.413 0.3 1 650 163 163 GLU N N 127.954 0.3 1 651 164 164 VAL H H 7.964 0.020 1 652 164 164 VAL C C 173.509 0.3 1 653 164 164 VAL CA C 59.929 0.3 1 654 164 164 VAL CB C 33.644 0.3 1 655 164 164 VAL N N 123.111 0.3 1 656 167 167 GLY H H 8.689 0.020 1 657 167 167 GLY C C 173.761 0.3 1 658 167 167 GLY CA C 45.100 0.3 1 659 167 167 GLY N N 112.848 0.3 1 660 168 168 VAL H H 7.174 0.020 1 661 168 168 VAL C C 176.783 0.3 1 662 168 168 VAL CA C 61.002 0.3 1 663 168 168 VAL CB C 32.457 0.3 1 664 168 168 VAL N N 121.154 0.3 1 665 169 169 SER H H 9.002 0.020 1 666 169 169 SER C C 173.241 0.3 1 667 169 169 SER CA C 56.117 0.3 1 668 169 169 SER CB C 63.241 0.3 1 669 169 169 SER N N 123.227 0.3 1 670 170 170 THR H H 9.170 0.020 1 671 170 170 THR C C 173.660 0.3 1 672 170 170 THR CA C 60.620 0.3 1 673 170 170 THR CB C 69.330 0.3 1 674 170 170 THR N N 127.661 0.3 1 675 171 171 ASP H H 8.467 0.020 1 676 171 171 ASP C C 174.382 0.3 1 677 171 171 ASP CA C 53.448 0.3 1 678 171 171 ASP CB C 39.593 0.3 1 679 171 171 ASP N N 130.281 0.3 1 680 173 173 GLN H H 7.209 0.020 1 681 173 173 GLN C C 174.013 0.3 1 682 173 173 GLN CA C 53.448 0.3 1 683 173 173 GLN CB C 30.930 0.3 1 684 173 173 GLN N N 112.786 0.3 1 685 174 174 ALA H H 8.927 0.020 1 686 174 174 ALA C C 176.447 0.3 1 687 174 174 ALA CA C 51.747 0.3 1 688 174 174 ALA CB C 18.559 0.3 1 689 174 174 ALA N N 125.161 0.3 1 690 175 175 TYR H H 9.234 0.020 1 691 175 175 TYR C C 174.685 0.3 1 692 175 175 TYR CA C 55.755 0.3 1 693 175 175 TYR CB C 38.910 0.3 1 694 175 175 TYR N N 123.824 0.3 1 695 176 176 LYS H H 8.328 0.020 1 696 176 176 LYS C C 175.356 0.3 1 697 176 176 LYS CA C 55.967 0.3 1 698 176 176 LYS CB C 30.676 0.3 1 699 176 176 LYS N N 126.772 0.3 1 700 177 177 GLU H H 8.259 0.020 1 701 177 177 GLU C C 176.263 0.3 1 702 177 177 GLU CA C 56.884 0.3 1 703 177 177 GLU CB C 29.812 0.3 1 704 177 177 GLU N N 127.894 0.3 1 705 178 178 SER H H 7.948 0.020 1 706 178 178 SER C C 173.644 0.3 1 707 178 178 SER CA C 56.635 0.3 1 708 178 178 SER CB C 62.592 0.3 1 709 178 178 SER N N 112.085 0.3 1 710 180 180 TYR H H 7.671 0.020 1 711 180 180 TYR C C 174.030 0.3 1 712 180 180 TYR CA C 54.339 0.3 1 713 180 180 TYR CB C 37.152 0.3 1 714 180 180 TYR N N 113.039 0.3 1 715 181 181 SER H H 6.673 0.020 1 716 181 181 SER C C 172.250 0.3 1 717 181 181 SER CA C 58.088 0.3 1 718 181 181 SER CB C 63.834 0.3 1 719 181 181 SER N N 111.676 0.3 1 720 182 182 TYR H H 8.624 0.020 1 721 182 182 TYR C C 174.047 0.3 1 722 182 182 TYR CA C 56.528 0.3 1 723 182 182 TYR CB C 42.134 0.3 1 724 182 182 TYR N N 125.962 0.3 1 725 183 183 SER H H 8.929 0.020 1 726 183 183 SER C C 172.569 0.3 1 727 183 183 SER CA C 56.387 0.3 1 728 183 183 SER CB C 66.282 0.3 1 729 183 183 SER N N 111.110 0.3 1 730 184 184 LEU H H 9.390 0.020 1 731 184 184 LEU C C 173.526 0.3 1 732 184 184 LEU CA C 55.498 0.3 1 733 184 184 LEU CB C 46.693 0.3 1 734 184 184 LEU N N 123.836 0.3 1 735 185 185 SER H H 8.514 0.020 1 736 185 185 SER C C 172.435 0.3 1 737 185 185 SER CA C 55.967 0.3 1 738 185 185 SER CB C 67.469 0.3 1 739 185 185 SER N N 120.906 0.3 1 740 186 186 SER H H 8.841 0.020 1 741 186 186 SER C C 172.501 0.3 1 742 186 186 SER CA C 56.216 0.3 1 743 186 186 SER CB C 63.886 0.3 1 744 186 186 SER N N 113.130 0.3 1 745 187 187 ARG H H 8.600 0.020 1 746 187 187 ARG C C 173.407 0.3 1 747 187 187 ARG CA C 54.163 0.3 1 748 187 187 ARG CB C 31.863 0.3 1 749 187 187 ARG N N 127.476 0.3 1 750 188 188 LEU H H 8.164 0.020 1 751 188 188 LEU C C 173.543 0.3 1 752 188 188 LEU CA C 52.490 0.3 1 753 188 188 LEU CB C 39.875 0.3 1 754 188 188 LEU N N 124.095 0.3 1 755 189 189 ARG H H 8.205 0.020 1 756 189 189 ARG C C 175.741 0.3 1 757 189 189 ARG CA C 54.017 0.3 1 758 189 189 ARG CB C 30.516 0.3 1 759 189 189 ARG N N 127.334 0.3 1 760 190 190 VAL H H 8.686 0.020 1 761 190 190 VAL C C 174.651 0.3 1 762 190 190 VAL CA C 57.801 0.3 1 763 190 190 VAL CB C 34.905 0.3 1 764 190 190 VAL N N 119.043 0.3 1 765 191 191 SER H H 8.619 0.020 1 766 191 191 SER C C 175.457 0.3 1 767 191 191 SER CA C 57.991 0.3 1 768 191 191 SER CB C 63.232 0.3 1 769 191 191 SER N N 116.443 0.3 1 770 192 192 ALA H H 8.240 0.020 1 771 192 192 ALA C C 178.428 0.3 1 772 192 192 ALA CA C 55.288 0.3 1 773 192 192 ALA CB C 16.928 0.3 1 774 192 192 ALA N N 126.607 0.3 1 775 193 193 THR H H 7.931 0.020 1 776 193 193 THR C C 175.625 0.3 1 777 193 193 THR CA C 64.600 0.3 1 778 193 193 THR CB C 68.276 0.3 1 779 193 193 THR N N 108.560 0.3 1 780 194 194 PHE H H 7.608 0.020 1 781 194 194 PHE C C 177.925 0.3 1 782 194 194 PHE CA C 60.693 0.3 1 783 194 194 PHE CB C 39.851 0.3 1 784 194 194 PHE N N 124.343 0.3 1 785 195 195 TRP H H 7.635 0.020 1 786 195 195 TRP C C 173.979 0.3 1 787 195 195 TRP CA C 58.406 0.3 1 788 195 195 TRP CB C 28.945 0.3 1 789 195 195 TRP N N 119.495 0.3 1 790 196 196 HIS H H 7.594 0.020 1 791 196 196 HIS C C 174.047 0.3 1 792 196 196 HIS CA C 54.060 0.3 1 793 196 196 HIS CB C 27.528 0.3 1 794 196 196 HIS N N 112.379 0.3 1 795 197 197 ASN H H 6.872 0.020 1 796 197 197 ASN C C 174.211 0.3 1 797 197 197 ASN CA C 49.021 0.3 1 798 197 197 ASN CB C 38.135 0.3 1 799 197 197 ASN N N 118.370 0.3 1 800 199 199 ARG H H 7.589 0.020 1 801 199 199 ARG C C 176.849 0.3 1 802 199 199 ARG CA C 55.346 0.3 1 803 199 199 ARG CB C 28.529 0.3 1 804 199 199 ARG N N 115.056 0.3 1 805 200 200 ASN H H 7.634 0.020 1 806 200 200 ASN C C 171.930 0.3 1 807 200 200 ASN CA C 51.950 0.3 1 808 200 200 ASN CB C 37.745 0.3 1 809 200 200 ASN N N 118.188 0.3 1 810 201 201 HIS H H 8.171 0.020 1 811 201 201 HIS C C 173.004 0.3 1 812 201 201 HIS CA C 55.218 0.3 1 813 201 201 HIS CB C 33.866 0.3 1 814 201 201 HIS N N 122.614 0.3 1 815 202 202 PHE H H 8.403 0.020 1 816 202 202 PHE C C 173.474 0.3 1 817 202 202 PHE CA C 55.795 0.3 1 818 202 202 PHE CB C 41.136 0.3 1 819 202 202 PHE N N 124.438 0.3 1 820 203 203 ARG H H 9.106 0.020 1 821 203 203 ARG C C 173.374 0.3 1 822 203 203 ARG CA C 54.215 0.3 1 823 203 203 ARG CB C 34.237 0.3 1 824 203 203 ARG N N 121.474 0.3 1 825 204 204 CYS H H 8.786 0.020 1 826 204 204 CYS C C 171.493 0.3 1 827 204 204 CYS CA C 51.973 0.3 1 828 204 204 CYS CB C 42.322 0.3 1 829 204 204 CYS N N 127.355 0.3 1 830 205 205 GLN H H 9.198 0.020 1 831 205 205 GLN C C 173.441 0.3 1 832 205 205 GLN CA C 53.804 0.3 1 833 205 205 GLN CB C 31.937 0.3 1 834 205 205 GLN N N 127.825 0.3 1 835 206 206 VAL H H 9.069 0.020 1 836 206 206 VAL C C 174.197 0.3 1 837 206 206 VAL CA C 60.202 0.3 1 838 206 206 VAL CB C 31.344 0.3 1 839 206 206 VAL N N 127.474 0.3 1 840 207 207 GLN H H 8.819 0.020 1 841 207 207 GLN C C 173.554 0.3 1 842 207 207 GLN CA C 54.401 0.3 1 843 207 207 GLN CB C 28.896 0.3 1 844 207 207 GLN N N 128.481 0.3 1 845 208 208 PHE H H 8.740 0.020 1 846 208 208 PHE C C 172.496 0.3 1 847 208 208 PHE CA C 54.934 0.3 1 848 208 208 PHE CB C 40.724 0.3 1 849 208 208 PHE N N 128.317 0.3 1 850 209 209 HIS H H 7.545 0.020 1 851 209 209 HIS C C 173.044 0.3 1 852 209 209 HIS CA C 55.312 0.3 1 853 209 209 HIS CB C 28.556 0.3 1 854 209 209 HIS N N 128.293 0.3 1 855 210 210 GLY H H 7.582 0.020 1 856 210 210 GLY C C 174.065 0.3 1 857 210 210 GLY CA C 42.903 0.3 1 858 210 210 GLY N N 110.319 0.3 1 859 211 211 LEU H H 8.202 0.020 1 860 211 211 LEU C C 175.837 0.3 1 861 211 211 LEU CA C 53.907 0.3 1 862 211 211 LEU CB C 41.110 0.3 1 863 211 211 LEU N N 122.018 0.3 1 864 212 212 SER H H 9.269 0.020 1 865 212 212 SER C C 176.029 0.3 1 866 212 212 SER CA C 56.555 0.3 1 867 212 212 SER CB C 64.791 0.3 1 868 212 212 SER N N 116.524 0.3 1 869 213 213 GLU H H 8.937 0.020 1 870 213 213 GLU C C 177.369 0.3 1 871 213 213 GLU CA C 58.940 0.3 1 872 213 213 GLU CB C 28.526 0.3 1 873 213 213 GLU N N 123.013 0.3 1 874 214 214 GLU H H 8.330 0.020 1 875 214 214 GLU C C 176.901 0.3 1 876 214 214 GLU CA C 56.640 0.3 1 877 214 214 GLU CB C 28.677 0.3 1 878 214 214 GLU N N 115.224 0.3 1 879 215 215 ASP H H 7.175 0.020 1 880 215 215 ASP C C 175.474 0.3 1 881 215 215 ASP CA C 54.780 0.3 1 882 215 215 ASP CB C 41.507 0.3 1 883 215 215 ASP N N 120.448 0.3 1 884 216 216 LYS H H 8.482 0.020 1 885 216 216 LYS C C 175.556 0.3 1 886 216 216 LYS CA C 55.737 0.3 1 887 216 216 LYS CB C 31.700 0.3 1 888 216 216 LYS N N 123.182 0.3 1 889 217 217 TRP H H 8.187 0.020 1 890 217 217 TRP C C 173.644 0.3 1 891 217 217 TRP CA C 53.305 0.3 1 892 217 217 TRP CB C 32.604 0.3 1 893 217 217 TRP N N 123.408 0.3 1 894 220 220 GLY H H 8.584 0.020 1 895 220 220 GLY C C 173.622 0.3 1 896 220 220 GLY CA C 44.945 0.3 1 897 220 220 GLY N N 109.897 0.3 1 898 221 221 SER H H 7.631 0.020 1 899 221 221 SER C C 172.114 0.3 1 900 221 221 SER CA C 55.500 0.3 1 901 221 221 SER CB C 62.944 0.3 1 902 221 221 SER N N 115.643 0.3 1 903 225 225 VAL H H 7.472 0.020 1 904 225 225 VAL C C 175.590 0.3 1 905 225 225 VAL CA C 59.751 0.3 1 906 225 225 VAL CB C 32.086 0.3 1 907 225 225 VAL N N 117.446 0.3 1 908 226 226 THR H H 7.659 0.020 1 909 226 226 THR C C 174.567 0.3 1 910 226 226 THR CA C 63.011 0.3 1 911 226 226 THR CB C 68.437 0.3 1 912 226 226 THR N N 117.825 0.3 1 913 227 227 GLN H H 8.758 0.020 1 914 227 227 GLN C C 172.015 0.3 1 915 227 227 GLN CA C 54.215 0.3 1 916 227 227 GLN CB C 31.492 0.3 1 917 227 227 GLN N N 122.411 0.3 1 918 228 228 ASN H H 8.497 0.020 1 919 228 228 ASN C C 174.505 0.3 1 920 228 228 ASN CA C 51.150 0.3 1 921 228 228 ASN CB C 39.207 0.3 1 922 228 228 ASN N N 119.541 0.3 1 923 229 229 ILE H H 8.909 0.020 1 924 229 229 ILE C C 174.602 0.3 1 925 229 229 ILE CA C 59.922 0.3 1 926 229 229 ILE CB C 39.355 0.3 1 927 229 229 ILE N N 126.493 0.3 1 928 230 230 SER H H 8.433 0.020 1 929 230 230 SER C C 172.947 0.3 1 930 230 230 SER CA C 56.597 0.3 1 931 230 230 SER CB C 66.251 0.3 1 932 230 230 SER N N 120.317 0.3 1 933 231 231 ALA H H 8.490 0.020 1 934 231 231 ALA C C 175.013 0.3 1 935 231 231 ALA CA C 50.718 0.3 1 936 231 231 ALA CB C 22.104 0.3 1 937 231 231 ALA N N 123.837 0.3 1 938 232 232 GLU H H 8.642 0.020 1 939 232 232 GLU C C 174.441 0.3 1 940 232 232 GLU CA C 53.674 0.3 1 941 232 232 GLU CB C 33.673 0.3 1 942 232 232 GLU N N 118.164 0.3 1 943 233 233 ALA H H 8.914 0.020 1 944 233 233 ALA C C 174.778 0.3 1 945 233 233 ALA CA C 51.437 0.3 1 946 233 233 ALA CB C 21.543 0.3 1 947 233 233 ALA N N 121.867 0.3 1 948 234 234 TRP H H 8.407 0.020 1 949 234 234 TRP C C 176.176 0.3 1 950 234 234 TRP CA C 56.106 0.3 1 951 234 234 TRP CB C 30.973 0.3 1 952 234 234 TRP N N 121.463 0.3 1 953 235 235 GLY H H 8.510 0.020 1 954 235 235 GLY C C 171.999 0.3 1 955 235 235 GLY CA C 45.094 0.3 1 956 235 235 GLY N N 105.335 0.3 1 957 236 236 ARG H H 5.967 0.020 1 958 236 236 ARG C C 174.517 0.3 1 959 236 236 ARG CA C 53.976 0.3 1 960 236 236 ARG CB C 31.328 0.3 1 961 236 236 ARG N N 116.764 0.3 1 962 237 237 ALA H H 8.395 0.020 1 963 237 237 ALA C C 177.387 0.3 1 964 237 237 ALA CA C 51.724 0.3 1 965 237 237 ALA CB C 17.964 0.3 1 966 237 237 ALA N N 126.014 0.3 1 967 238 238 ASP H H 8.217 0.020 1 968 238 238 ASP C C 174.936 0.3 1 969 238 238 ASP CA C 53.444 0.3 1 970 238 238 ASP CB C 39.852 0.3 1 971 238 238 ASP N N 120.440 0.3 1 972 239 239 SER H H 7.590 0.020 1 973 239 239 SER C C 178.445 0.3 1 974 239 239 SER CA C 59.256 0.3 1 975 239 239 SER CB C 64.023 0.3 1 976 239 239 SER N N 121.119 0.3 1 stop_ save_