data_26601 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit ; _BMRB_accession_number 26601 _BMRB_flat_file_name bmr26601.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" 207 "13C chemical shifts" 606 "15N chemical shifts" 207 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 26600 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 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_citation_1 _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 'N30alphabetaTCR, pTalpha/N30beta' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'beta subunit' $N30_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_N30_beta_TCR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N30_beta_TCR _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 241 _Mol_residue_sequence ; MEAGVTQSPRYAVLQEGQSV SFWCDPISGHDTLYWYQQPR DQGPQLLVYFRDEAVIDNSQ LPSDRFSAVRPKGTNSTLKI QSAKQGDTATYLCASSSGVG TEVFFGKGTRLTVVEDLRNV TPPKVSLFEPSKAEIANKQK ATLVCLARGFFPDHVELSWW VNGKEVHSGVSTDPQAYKES NYSYSLSSRLRVSATFWHNP RNHFRCQVQFHGLSEEDKWP EGSPKPVTQNISAEAWGRAD S ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLU 3 2 ALA 4 3 GLY 5 4 VAL 6 5 THR 7 6 GLN 8 7 SER 9 8 PRO 10 9 ARG 11 10 TYR 12 11 ALA 13 12 VAL 14 13 LEU 15 14 GLN 16 15 GLU 17 16 GLY 18 17 GLN 19 18 SER 20 19 VAL 21 20 SER 22 21 PHE 23 22 TRP 24 23 CYS 25 24 ASP 26 25 PRO 27 26 ILE 28 27 SER 29 28 GLY 30 29 HIS 31 30 ASP 32 31 THR 33 32 LEU 34 33 TYR 35 34 TRP 36 35 TYR 37 36 GLN 38 37 GLN 39 38 PRO 40 39 ARG 41 40 ASP 42 41 GLN 43 42 GLY 44 43 PRO 45 44 GLN 46 45 LEU 47 46 LEU 48 47 VAL 49 48 TYR 50 49 PHE 51 50 ARG 52 51 ASP 53 52 GLU 54 53 ALA 55 54 VAL 56 55 ILE 57 56 ASP 58 57 ASN 59 58 SER 60 59 GLN 61 60 LEU 62 61 PRO 63 62 SER 64 63 ASP 65 64 ARG 66 65 PHE 67 66 SER 68 67 ALA 69 68 VAL 70 69 ARG 71 70 PRO 72 71 LYS 73 72 GLY 74 73 THR 75 74 ASN 76 75 SER 77 76 THR 78 77 LEU 79 78 LYS 80 79 ILE 81 80 GLN 82 81 SER 83 82 ALA 84 83 LYS 85 84 GLN 86 85 GLY 87 86 ASP 88 87 THR 89 88 ALA 90 89 THR 91 90 TYR 92 91 LEU 93 92 CYS 94 93 ALA 95 94 SER 96 95 SER 97 96 SER 98 97 GLY 99 98 VAL 100 99 GLY 101 100 THR 102 101 GLU 103 102 VAL 104 103 PHE 105 104 PHE 106 105 GLY 107 106 LYS 108 107 GLY 109 108 THR 110 109 ARG 111 110 LEU 112 111 THR 113 112 VAL 114 113 VAL 115 114 GLU 116 115 ASP 117 116 LEU 118 117 ARG 119 118 ASN 120 119 VAL 121 120 THR 122 121 PRO 123 122 PRO 124 123 LYS 125 124 VAL 126 125 SER 127 126 LEU 128 127 PHE 129 128 GLU 130 129 PRO 131 130 SER 132 131 LYS 133 132 ALA 134 133 GLU 135 134 ILE 136 135 ALA 137 136 ASN 138 137 LYS 139 138 GLN 140 139 LYS 141 140 ALA 142 141 THR 143 142 LEU 144 143 VAL 145 144 CYS 146 145 LEU 147 146 ALA 148 147 ARG 149 148 GLY 150 149 PHE 151 150 PHE 152 151 PRO 153 152 ASP 154 153 HIS 155 154 VAL 156 155 GLU 157 156 LEU 158 157 SER 159 158 TRP 160 159 TRP 161 160 VAL 162 161 ASN 163 162 GLY 164 163 LYS 165 164 GLU 166 165 VAL 167 166 HIS 168 167 SER 169 168 GLY 170 169 VAL 171 170 SER 172 171 THR 173 172 ASP 174 173 PRO 175 174 GLN 176 175 ALA 177 176 TYR 178 177 LYS 179 178 GLU 180 179 SER 181 180 ASN 182 181 TYR 183 182 SER 184 183 TYR 185 184 SER 186 185 LEU 187 186 SER 188 187 SER 189 188 ARG 190 189 LEU 191 190 ARG 192 191 VAL 193 192 SER 194 193 ALA 195 194 THR 196 195 PHE 197 196 TRP 198 197 HIS 199 198 ASN 200 199 PRO 201 200 ARG 202 201 ASN 203 202 HIS 204 203 PHE 205 204 ARG 206 205 CYS 207 206 GLN 208 207 VAL 209 208 GLN 210 209 PHE 211 210 HIS 212 211 GLY 213 212 LEU 214 213 SER 215 214 GLU 216 215 GLU 217 216 ASP 218 217 LYS 219 218 TRP 220 219 PRO 221 220 GLU 222 221 GLY 223 222 SER 224 223 PRO 225 224 LYS 226 225 PRO 227 226 VAL 228 227 THR 229 228 GLN 230 229 ASN 231 230 ILE 232 231 SER 233 232 ALA 234 233 GLU 235 234 ALA 236 235 TRP 237 236 GLY 238 237 ARG 239 238 ALA 240 239 ASP 241 240 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 $N30_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 $N30_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 $N30_beta_TCR 0.4 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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 3 ALA H H 8.285 0.020 1 2 2 3 ALA C C 177.314 0.3 1 3 2 3 ALA CA C 51.688 0.3 1 4 2 3 ALA CB C 18.674 0.3 1 5 2 3 ALA N N 125.902 0.3 1 6 3 4 GLY H H 7.939 0.020 1 7 3 4 GLY C C 172.491 0.3 1 8 3 4 GLY CA C 43.971 0.3 1 9 3 4 GLY N N 108.019 0.3 1 10 4 5 VAL H H 8.330 0.020 1 11 4 5 VAL C C 176.967 0.3 1 12 4 5 VAL CA C 62.614 0.3 1 13 4 5 VAL CB C 31.464 0.3 1 14 4 5 VAL N N 123.755 0.3 1 15 5 6 THR H H 8.678 0.020 1 16 5 6 THR C C 172.536 0.3 1 17 5 6 THR CA C 61.909 0.3 1 18 5 6 THR CB C 69.625 0.3 1 19 5 6 THR N N 126.053 0.3 1 20 10 11 TYR H H 7.728 0.020 1 21 10 11 TYR C C 174.631 0.3 1 22 10 11 TYR CA C 55.908 0.3 1 23 10 11 TYR CB C 42.456 0.3 1 24 10 11 TYR N N 116.675 0.3 1 25 11 12 ALA H H 8.835 0.020 1 26 11 12 ALA C C 174.556 0.3 1 27 11 12 ALA CA C 51.739 0.3 1 28 11 12 ALA CB C 20.886 0.3 1 29 11 12 ALA N N 122.406 0.3 1 30 12 13 VAL H H 8.582 0.020 1 31 12 13 VAL C C 172.401 0.3 1 32 12 13 VAL CA C 58.694 0.3 1 33 12 13 VAL CB C 33.123 0.3 1 34 12 13 VAL N N 123.459 0.3 1 35 13 14 LEU H H 8.184 0.020 1 36 13 14 LEU C C 175.068 0.3 1 37 13 14 LEU CA C 52.279 0.3 1 38 13 14 LEU CB C 46.327 0.3 1 39 13 14 LEU N N 126.663 0.3 1 40 14 15 GLN H H 8.622 0.020 1 41 14 15 GLN C C 175.295 0.3 1 42 14 15 GLN CA C 53.914 0.3 1 43 14 15 GLN CB C 29.666 0.3 1 44 14 15 GLN N N 122.556 0.3 1 45 15 16 GLU H H 7.871 0.020 1 46 15 16 GLU C C 176.952 0.3 1 47 15 16 GLU CA C 57.642 0.3 1 48 15 16 GLU CB C 29.085 0.3 1 49 15 16 GLU N N 122.981 0.3 1 50 16 17 GLY H H 9.662 0.020 1 51 16 17 GLY C C 175.159 0.3 1 52 16 17 GLY CA C 44.175 0.3 1 53 16 17 GLY N N 113.669 0.3 1 54 17 18 GLN H H 7.707 0.020 1 55 17 18 GLN C C 173.712 0.3 1 56 17 18 GLN CA C 55.254 0.3 1 57 17 18 GLN CB C 29.459 0.3 1 58 17 18 GLN N N 120.813 0.3 1 59 18 19 SER H H 8.105 0.020 1 60 18 19 SER C C 172.732 0.3 1 61 18 19 SER CA C 56.133 0.3 1 62 18 19 SER CB C 65.062 0.3 1 63 18 19 SER N N 113.665 0.3 1 64 19 20 VAL H H 8.397 0.020 1 65 19 20 VAL C C 170.652 0.3 1 66 19 20 VAL CA C 60.084 0.3 1 67 19 20 VAL CB C 33.261 0.3 1 68 19 20 VAL N N 121.061 0.3 1 69 20 21 SER H H 7.414 0.020 1 70 20 21 SER C C 171.813 0.3 1 71 20 21 SER CA C 56.272 0.3 1 72 20 21 SER CB C 64.647 0.3 1 73 20 21 SER N N 119.503 0.3 1 74 21 22 PHE H H 9.138 0.020 1 75 21 22 PHE C C 174.209 0.3 1 76 21 22 PHE CA C 52.905 0.3 1 77 21 22 PHE CB C 39.760 0.3 1 78 21 22 PHE N N 124.238 0.3 1 79 22 23 TRP H H 9.235 0.020 1 80 22 23 TRP C C 175.822 0.3 1 81 22 23 TRP CA C 57.172 0.3 1 82 22 23 TRP CB C 31.602 0.3 1 83 22 23 TRP N N 122.760 0.3 1 84 23 24 CYS H H 8.859 0.020 1 85 23 24 CYS C C 170.954 0.3 1 86 23 24 CYS CA C 52.670 0.3 1 87 23 24 CYS CB C 43.769 0.3 1 88 23 24 CYS N N 125.291 0.3 1 89 24 25 ASP H H 8.837 0.020 1 90 24 25 ASP C C 173.501 0.3 1 91 24 25 ASP CA C 49.265 0.3 1 92 24 25 ASP CB C 42.524 0.3 1 93 24 25 ASP N N 128.593 0.3 1 94 26 27 ILE H H 6.506 0.020 1 95 26 27 ILE C C 176.259 0.3 1 96 26 27 ILE CA C 62.261 0.3 1 97 26 27 ILE CB C 35.335 0.3 1 98 26 27 ILE N N 121.402 0.3 1 99 27 28 SER H H 7.950 0.020 1 100 27 28 SER C C 175.626 0.3 1 101 27 28 SER CA C 59.244 0.3 1 102 27 28 SER CB C 61.882 0.3 1 103 27 28 SER N N 121.574 0.3 1 104 28 29 GLY H H 8.736 0.020 1 105 28 29 GLY C C 175.325 0.3 1 106 28 29 GLY CA C 44.353 0.3 1 107 28 29 GLY N N 114.524 0.3 1 108 29 30 HIS H H 7.955 0.020 1 109 29 30 HIS C C 176.018 0.3 1 110 29 30 HIS CA C 56.060 0.3 1 111 29 30 HIS CB C 30.772 0.3 1 112 29 30 HIS N N 121.813 0.3 1 113 30 31 ASP H H 8.703 0.020 1 114 30 31 ASP C C 177.857 0.3 1 115 30 31 ASP CA C 54.197 0.3 1 116 30 31 ASP CB C 39.760 0.3 1 117 30 31 ASP N N 125.486 0.3 1 118 31 32 THR H H 8.758 0.020 1 119 31 32 THR C C 171.677 0.3 1 120 31 32 THR CA C 62.381 0.3 1 121 31 32 THR CB C 68.865 0.3 1 122 31 32 THR N N 126.212 0.3 1 123 32 33 LEU H H 7.852 0.020 1 124 32 33 LEU C C 173.757 0.3 1 125 32 33 LEU CA C 53.635 0.3 1 126 32 33 LEU CB C 44.599 0.3 1 127 32 33 LEU N N 127.548 0.3 1 128 33 34 TYR H H 9.376 0.020 1 129 33 34 TYR C C 174.752 0.3 1 130 33 34 TYR CA C 54.862 0.3 1 131 33 34 TYR CB C 41.903 0.3 1 132 33 34 TYR N N 124.929 0.3 1 133 34 35 TRP H H 8.576 0.020 1 134 34 35 TRP C C 175.536 0.3 1 135 34 35 TRP CA C 55.959 0.3 1 136 34 35 TRP CB C 32.293 0.3 1 137 34 35 TRP N N 117.945 0.3 1 138 35 36 TYR H H 9.994 0.020 1 139 35 36 TYR C C 174.827 0.3 1 140 35 36 TYR CA C 56.091 0.3 1 141 35 36 TYR CB C 42.594 0.3 1 142 35 36 TYR N N 119.945 0.3 1 143 36 37 GLN H H 9.427 0.020 1 144 36 37 GLN C C 173.968 0.3 1 145 36 37 GLN CA C 53.727 0.3 1 146 36 37 GLN CB C 32.501 0.3 1 147 36 37 GLN N N 122.105 0.3 1 148 37 38 GLN H H 9.428 0.020 1 149 37 38 GLN C C 172.612 0.3 1 150 37 38 GLN CA C 52.148 0.3 1 151 37 38 GLN CB C 29.528 0.3 1 152 37 38 GLN N N 129.336 0.3 1 153 39 40 ARG H H 8.451 0.020 1 154 39 40 ARG C C 176.576 0.3 1 155 39 40 ARG CA C 57.447 0.3 1 156 39 40 ARG CB C 29.044 0.3 1 157 39 40 ARG N N 121.300 0.3 1 158 40 41 ASP H H 8.723 0.020 1 159 40 41 ASP C C 174.571 0.3 1 160 40 41 ASP CA C 55.585 0.3 1 161 40 41 ASP CB C 38.999 0.3 1 162 40 41 ASP N N 119.025 0.3 1 163 41 42 GLN H H 7.616 0.020 1 164 41 42 GLN C C 175.264 0.3 1 165 41 42 GLN CA C 53.531 0.3 1 166 41 42 GLN CB C 31.879 0.3 1 167 41 42 GLN N N 117.547 0.3 1 168 42 43 GLY H H 8.220 0.020 1 169 42 43 GLY C C 171.542 0.3 1 170 42 43 GLY CA C 43.596 0.3 1 171 42 43 GLY N N 106.584 0.3 1 172 44 45 GLN H H 9.018 0.020 1 173 44 45 GLN C C 175.144 0.3 1 174 44 45 GLN CA C 53.257 0.3 1 175 44 45 GLN CB C 29.805 0.3 1 176 44 45 GLN N N 123.928 0.3 1 177 45 46 LEU H H 8.862 0.020 1 178 45 46 LEU C C 175.611 0.3 1 179 45 46 LEU CA C 56.060 0.3 1 180 45 46 LEU CB C 40.728 0.3 1 181 45 46 LEU N N 129.956 0.3 1 182 46 47 LEU H H 9.086 0.020 1 183 46 47 LEU C C 175.626 0.3 1 184 46 47 LEU CA C 55.270 0.3 1 185 46 47 LEU CB C 43.216 0.3 1 186 46 47 LEU N N 125.362 0.3 1 187 48 49 TYR H H 7.582 0.020 1 188 48 49 TYR C C 172.205 0.3 1 189 48 49 TYR CA C 55.215 0.3 1 190 48 49 TYR CB C 41.142 0.3 1 191 48 49 TYR N N 121.645 0.3 1 192 49 50 PHE H H 9.258 0.020 1 193 49 50 PHE C C 175.279 0.3 1 194 49 50 PHE CA C 56.154 0.3 1 195 49 50 PHE CB C 44.253 0.3 1 196 49 50 PHE N N 119.963 0.3 1 197 50 51 ARG H H 8.357 0.020 1 198 50 51 ARG C C 176.545 0.3 1 199 50 51 ARG CA C 55.019 0.3 1 200 50 51 ARG CB C 30.219 0.3 1 201 50 51 ARG N N 120.087 0.3 1 202 51 52 ASP H H 9.501 0.020 1 203 51 52 ASP C C 175.430 0.3 1 204 51 52 ASP CA C 56.651 0.3 1 205 51 52 ASP CB C 39.276 0.3 1 206 51 52 ASP N N 126.531 0.3 1 207 52 53 GLU H H 9.635 0.020 1 208 52 53 GLU C C 175.279 0.3 1 209 52 53 GLU CA C 56.470 0.3 1 210 52 53 GLU CB C 28.560 0.3 1 211 52 53 GLU N N 126.097 0.3 1 212 53 54 ALA H H 7.927 0.020 1 213 53 54 ALA C C 176.651 0.3 1 214 53 54 ALA CA C 50.948 0.3 1 215 53 54 ALA CB C 19.573 0.3 1 216 53 54 ALA N N 125.017 0.3 1 217 54 55 VAL H H 8.354 0.020 1 218 54 55 VAL C C 176.334 0.3 1 219 54 55 VAL CA C 62.105 0.3 1 220 54 55 VAL CB C 31.187 0.3 1 221 54 55 VAL N N 123.245 0.3 1 222 55 56 ILE H H 8.315 0.020 1 223 55 56 ILE C C 175.792 0.3 1 224 55 56 ILE CA C 59.756 0.3 1 225 55 56 ILE CB C 34.644 0.3 1 226 55 56 ILE N N 129.664 0.3 1 227 56 57 ASP H H 6.326 0.020 1 228 56 57 ASP C C 174.933 0.3 1 229 56 57 ASP CA C 53.140 0.3 1 230 56 57 ASP CB C 42.732 0.3 1 231 56 57 ASP N N 117.218 0.3 1 232 57 58 ASN H H 8.479 0.020 1 233 57 58 ASN CA C 51.603 0.3 1 234 57 58 ASN CB C 37.850 0.3 1 235 57 58 ASN N N 124.229 0.3 1 236 58 59 SER H H 8.650 0.020 1 237 58 59 SER C C 175.686 0.3 1 238 58 59 SER CA C 61.126 0.3 1 239 58 59 SER CB C 62.297 0.3 1 240 58 59 SER N N 118.715 0.3 1 241 59 60 GLN H H 8.551 0.020 1 242 59 60 GLN C C 175.430 0.3 1 243 59 60 GLN CA C 54.329 0.3 1 244 59 60 GLN CB C 27.454 0.3 1 245 59 60 GLN N N 119.910 0.3 1 246 60 61 LEU H H 7.327 0.020 1 247 60 61 LEU C C 176.259 0.3 1 248 60 61 LEU CA C 52.553 0.3 1 249 60 61 LEU CB C 41.004 0.3 1 250 60 61 LEU N N 123.397 0.3 1 251 64 65 ARG H H 7.740 0.020 1 252 64 65 ARG C C 175.415 0.3 1 253 64 65 ARG CA C 57.184 0.3 1 254 64 65 ARG CB C 30.012 0.3 1 255 64 65 ARG N N 116.967 0.3 1 256 65 66 PHE H H 7.982 0.020 1 257 65 66 PHE C C 174.873 0.3 1 258 65 66 PHE CA C 55.332 0.3 1 259 65 66 PHE CB C 41.004 0.3 1 260 65 66 PHE N N 119.795 0.3 1 261 66 67 SER H H 8.735 0.020 1 262 66 67 SER C C 171.858 0.3 1 263 66 67 SER CA C 56.569 0.3 1 264 66 67 SER CB C 64.717 0.3 1 265 66 67 SER N N 113.214 0.3 1 266 67 68 ALA H H 8.667 0.020 1 267 67 68 ALA C C 175.355 0.3 1 268 67 68 ALA CA C 50.492 0.3 1 269 67 68 ALA CB C 22.615 0.3 1 270 67 68 ALA N N 124.566 0.3 1 271 68 69 VAL H H 8.431 0.020 1 272 68 69 VAL C C 175.445 0.3 1 273 68 69 VAL CA C 59.061 0.3 1 274 68 69 VAL CB C 35.957 0.3 1 275 68 69 VAL N N 113.710 0.3 1 276 69 70 ARG H H 9.335 0.020 1 277 69 70 ARG C C 173.983 0.3 1 278 69 70 ARG CA C 53.414 0.3 1 279 69 70 ARG CB C 28.698 0.3 1 280 69 70 ARG N N 128.434 0.3 1 281 71 72 LYS H H 8.723 0.020 1 282 71 72 LYS C C 176.734 0.3 1 283 71 72 LYS CA C 53.621 0.3 1 284 71 72 LYS CB C 31.256 0.3 1 285 71 72 LYS N N 115.852 0.3 1 286 72 73 GLY H H 7.734 0.020 1 287 72 73 GLY C C 173.118 0.3 1 288 72 73 GLY CA C 44.913 0.3 1 289 72 73 GLY N N 105.856 0.3 1 290 73 74 THR H H 7.846 0.020 1 291 73 74 THR C C 174.556 0.3 1 292 73 74 THR CA C 58.535 0.3 1 293 73 74 THR CB C 68.104 0.3 1 294 73 74 THR N N 110.259 0.3 1 295 74 75 ASN H H 8.959 0.020 1 296 74 75 ASN C C 173.682 0.3 1 297 74 75 ASN CA C 52.870 0.3 1 298 74 75 ASN CB C 38.723 0.3 1 299 74 75 ASN N N 123.088 0.3 1 300 75 76 SER H H 8.708 0.020 1 301 75 76 SER C C 172.763 0.3 1 302 75 76 SER CA C 54.781 0.3 1 303 75 76 SER CB C 67.205 0.3 1 304 75 76 SER N N 111.614 0.3 1 305 76 77 THR H H 7.807 0.020 1 306 76 77 THR C C 172.762 0.3 1 307 76 77 THR CA C 60.226 0.3 1 308 76 77 THR CB C 70.662 0.3 1 309 76 77 THR N N 122.415 0.3 1 310 77 78 LEU H H 8.558 0.020 1 311 77 78 LEU C C 172.808 0.3 1 312 77 78 LEU CA C 52.670 0.3 1 313 77 78 LEU CB C 41.142 0.3 1 314 77 78 LEU N N 130.921 0.3 1 315 78 79 LYS H H 9.007 0.020 1 316 78 79 LYS C C 174.496 0.3 1 317 78 79 LYS CA C 53.845 0.3 1 318 78 79 LYS CB C 34.436 0.3 1 319 78 79 LYS N N 127.672 0.3 1 320 79 80 ILE H H 8.113 0.020 1 321 79 80 ILE C C 175.264 0.3 1 322 79 80 ILE CA C 59.912 0.3 1 323 79 80 ILE CB C 38.792 0.3 1 324 79 80 ILE N N 124.288 0.3 1 325 80 81 GLN H H 8.445 0.020 1 326 80 81 GLN C C 174.677 0.3 1 327 80 81 GLN CA C 53.589 0.3 1 328 80 81 GLN CB C 30.012 0.3 1 329 80 81 GLN N N 125.406 0.3 1 330 81 82 SER H H 7.731 0.020 1 331 81 82 SER C C 173.938 0.3 1 332 81 82 SER CA C 56.714 0.3 1 333 81 82 SER CB C 60.983 0.3 1 334 81 82 SER N N 115.011 0.3 1 335 82 83 ALA H H 8.462 0.020 1 336 82 83 ALA C C 177.028 0.3 1 337 82 83 ALA CA C 52.554 0.3 1 338 82 83 ALA CB C 18.882 0.3 1 339 82 83 ALA N N 121.654 0.3 1 340 83 84 LYS H H 8.998 0.020 1 341 83 84 LYS C C 177.992 0.3 1 342 83 84 LYS CA C 53.178 0.3 1 343 83 84 LYS CB C 35.266 0.3 1 344 83 84 LYS N N 121.485 0.3 1 345 84 85 GLN H H 9.613 0.020 1 346 84 85 GLN C C 179.062 0.3 1 347 84 85 GLN CA C 59.912 0.3 1 348 84 85 GLN CB C 28.353 0.3 1 349 84 85 GLN N N 123.203 0.3 1 350 86 87 ASP H H 8.323 0.020 1 351 86 87 ASP C C 177.224 0.3 1 352 86 87 ASP CA C 54.289 0.3 1 353 86 87 ASP CB C 40.036 0.3 1 354 86 87 ASP N N 120.255 0.3 1 355 87 88 THR H H 7.801 0.020 1 356 87 88 THR C C 174.104 0.3 1 357 87 88 THR CA C 64.845 0.3 1 358 87 88 THR CB C 69.999 0.3 1 359 87 88 THR N N 120.361 0.3 1 360 88 89 ALA H H 8.940 0.020 1 361 88 89 ALA C C 175.114 0.3 1 362 88 89 ALA CA C 51.864 0.3 1 363 88 89 ALA CB C 18.674 0.3 1 364 88 89 ALA N N 130.770 0.3 1 365 89 90 THR H H 7.530 0.020 1 366 89 90 THR C C 173.215 0.3 1 367 89 90 THR CA C 62.289 0.3 1 368 89 90 THR CB C 68.173 0.3 1 369 89 90 THR N N 115.197 0.3 1 370 90 91 TYR H H 9.446 0.020 1 371 90 91 TYR C C 176.018 0.3 1 372 90 91 TYR CA C 57.290 0.3 1 373 90 91 TYR CB C 38.170 0.3 1 374 90 91 TYR N N 127.752 0.3 1 375 91 92 LEU H H 9.290 0.020 1 376 91 92 LEU C C 173.290 0.3 1 377 91 92 LEU CA C 53.649 0.3 1 378 91 92 LEU CB C 44.876 0.3 1 379 91 92 LEU N N 127.920 0.3 1 380 92 93 CYS H H 7.938 0.020 1 381 92 93 CYS C C 171.120 0.3 1 382 92 93 CYS CA C 50.976 0.3 1 383 92 93 CYS CB C 43.424 0.3 1 384 92 93 CYS N N 121.999 0.3 1 385 93 94 ALA H H 8.905 0.020 1 386 93 94 ALA C C 175.084 0.3 1 387 93 94 ALA CA C 49.265 0.3 1 388 93 94 ALA CB C 22.822 0.3 1 389 93 94 ALA N N 129.938 0.3 1 390 94 95 SER H H 9.289 0.020 1 391 94 95 SER C C 172.205 0.3 1 392 94 95 SER CA C 57.634 0.3 1 393 94 95 SER CB C 67.413 0.3 1 394 94 95 SER N N 116.091 0.3 1 395 95 96 SER H H 9.010 0.020 1 396 95 96 SER C C 171.512 0.3 1 397 95 96 SER CA C 57.319 0.3 1 398 95 96 SER CB C 66.583 0.3 1 399 95 96 SER N N 114.258 0.3 1 400 96 97 SER H H 8.288 0.020 1 401 96 97 SER C C 175.807 0.3 1 402 96 97 SER CA C 55.532 0.3 1 403 96 97 SER CB C 61.398 0.3 1 404 96 97 SER N N 114.320 0.3 1 405 97 98 GLY H H 9.155 0.020 1 406 97 98 GLY C C 173.456 0.3 1 407 97 98 GLY CA C 43.431 0.3 1 408 97 98 GLY N N 117.892 0.3 1 409 98 99 VAL H H 8.190 0.020 1 410 98 99 VAL C C 177.374 0.3 1 411 98 99 VAL CA C 61.955 0.3 1 412 98 99 VAL CB C 31.395 0.3 1 413 98 99 VAL N N 120.237 0.3 1 414 99 100 GLY H H 8.554 0.020 1 415 99 100 GLY C C 174.330 0.3 1 416 99 100 GLY CA C 45.172 0.3 1 417 99 100 GLY N N 113.656 0.3 1 418 100 101 THR H H 7.174 0.020 1 419 100 101 THR C C 173.561 0.3 1 420 100 101 THR CA C 59.736 0.3 1 421 100 101 THR CB C 68.657 0.3 1 422 100 101 THR N N 110.563 0.3 1 423 101 102 GLU H H 8.068 0.020 1 424 101 102 GLU C C 174.435 0.3 1 425 101 102 GLU CA C 56.937 0.3 1 426 101 102 GLU CB C 28.870 0.3 1 427 101 102 GLU N N 121.298 0.3 1 428 102 103 VAL H H 7.805 0.020 1 429 102 103 VAL C C 175.159 0.3 1 430 102 103 VAL CA C 61.048 0.3 1 431 102 103 VAL CB C 31.602 0.3 1 432 102 103 VAL N N 125.088 0.3 1 433 103 104 PHE H H 8.988 0.020 1 434 103 104 PHE C C 174.511 0.3 1 435 103 104 PHE CA C 56.507 0.3 1 436 103 104 PHE CB C 39.621 0.3 1 437 103 104 PHE N N 128.230 0.3 1 438 104 105 PHE H H 8.897 0.020 1 439 104 105 PHE C C 178.821 0.3 1 440 104 105 PHE CA C 58.095 0.3 1 441 104 105 PHE CB C 41.281 0.3 1 442 104 105 PHE N N 120.308 0.3 1 443 105 106 GLY H H 9.124 0.020 1 444 105 106 GLY C C 172.687 0.3 1 445 105 106 GLY CA C 43.446 0.3 1 446 105 106 GLY N N 109.263 0.3 1 447 106 107 LYS H H 8.850 0.020 1 448 106 107 LYS C C 177.932 0.3 1 449 106 107 LYS CA C 56.085 0.3 1 450 106 107 LYS CB C 31.612 0.3 1 451 106 107 LYS N N 115.329 0.3 1 452 107 108 GLY H H 7.099 0.020 1 453 107 108 GLY C C 172.114 0.3 1 454 107 108 GLY CA C 44.210 0.3 1 455 107 108 GLY N N 105.021 0.3 1 456 108 109 THR H H 8.194 0.020 1 457 108 109 THR C C 174.240 0.3 1 458 108 109 THR CA C 61.122 0.3 1 459 108 109 THR CB C 71.233 0.3 1 460 108 109 THR N N 118.228 0.3 1 461 109 110 ARG H H 7.964 0.020 1 462 109 110 ARG C C 172.054 0.3 1 463 109 110 ARG CA C 55.567 0.3 1 464 109 110 ARG CB C 28.560 0.3 1 465 109 110 ARG N N 129.177 0.3 1 466 110 111 LEU H H 8.570 0.020 1 467 110 111 LEU C C 177.194 0.3 1 468 110 111 LEU CA C 52.631 0.3 1 469 110 111 LEU CB C 43.908 0.3 1 470 110 111 LEU N N 127.664 0.3 1 471 111 112 THR H H 8.768 0.020 1 472 111 112 THR C C 171.934 0.3 1 473 111 112 THR CA C 63.010 0.3 1 474 111 112 THR CB C 68.865 0.3 1 475 111 112 THR N N 123.990 0.3 1 476 112 113 VAL H H 8.260 0.020 1 477 112 113 VAL C C 175.279 0.3 1 478 112 113 VAL CA C 59.560 0.3 1 479 112 113 VAL CB C 31.326 0.3 1 480 112 113 VAL N N 128.796 0.3 1 481 113 114 VAL H H 8.916 0.020 1 482 113 114 VAL C C 175.279 0.3 1 483 113 114 VAL CA C 57.807 0.3 1 484 113 114 VAL CB C 33.192 0.3 1 485 113 114 VAL N N 119.627 0.3 1 486 114 115 GLU H H 8.954 0.020 1 487 114 115 GLU C C 176.591 0.3 1 488 114 115 GLU CA C 58.550 0.3 1 489 114 115 GLU CB C 29.182 0.3 1 490 114 115 GLU N N 122.955 0.3 1 491 115 116 ASP H H 7.774 0.020 1 492 115 116 ASP C C 176.425 0.3 1 493 115 116 ASP CA C 52.529 0.3 1 494 115 116 ASP CB C 42.525 0.3 1 495 115 116 ASP N N 116.728 0.3 1 496 116 117 LEU H H 8.801 0.020 1 497 116 117 LEU C C 177.721 0.3 1 498 116 117 LEU CA C 56.631 0.3 1 499 116 117 LEU CB C 41.142 0.3 1 500 116 117 LEU N N 127.619 0.3 1 501 117 118 ARG H H 8.582 0.020 1 502 117 118 ARG C C 177.058 0.3 1 503 117 118 ARG CA C 57.709 0.3 1 504 117 118 ARG CB C 28.215 0.3 1 505 117 118 ARG N N 116.002 0.3 1 506 118 119 ASN H H 7.576 0.020 1 507 118 119 ASN C C 175.837 0.3 1 508 118 119 ASN CA C 54.031 0.3 1 509 118 119 ASN CB C 38.878 0.3 1 510 118 119 ASN N N 113.648 0.3 1 511 119 120 VAL H H 8.083 0.020 1 512 119 120 VAL C C 174.993 0.3 1 513 119 120 VAL CA C 64.023 0.3 1 514 119 120 VAL CB C 29.898 0.3 1 515 119 120 VAL N N 124.091 0.3 1 516 120 121 THR H H 9.388 0.020 1 517 120 121 THR C C 174.918 0.3 1 518 120 121 THR CA C 58.621 0.3 1 519 120 121 THR CB C 72.467 0.3 1 520 120 121 THR N N 123.707 0.3 1 521 123 124 LYS H H 8.569 0.020 1 522 123 124 LYS C C 176.696 0.3 1 523 123 124 LYS CA C 55.313 0.3 1 524 123 124 LYS CB C 31.681 0.3 1 525 123 124 LYS N N 119.450 0.3 1 526 124 125 VAL H H 8.680 0.020 1 527 124 125 VAL C C 174.511 0.3 1 528 124 125 VAL CA C 60.969 0.3 1 529 124 125 VAL CB C 33.326 0.3 1 530 124 125 VAL N N 126.548 0.3 1 531 125 126 SER H H 8.868 0.020 1 532 125 126 SER C C 169.959 0.3 1 533 125 126 SER CA C 56.535 0.3 1 534 125 126 SER CB C 65.612 0.3 1 535 125 126 SER N N 122.618 0.3 1 536 126 127 LEU H H 8.284 0.020 1 537 126 127 LEU C C 175.355 0.3 1 538 126 127 LEU CA C 52.670 0.3 1 539 126 127 LEU CB C 44.294 0.3 1 540 126 127 LEU N N 124.160 0.3 1 541 127 128 PHE H H 9.536 0.020 1 542 127 128 PHE C C 174.888 0.3 1 543 127 128 PHE CA C 55.880 0.3 1 544 127 128 PHE CB C 39.084 0.3 1 545 127 128 PHE N N 126.141 0.3 1 546 128 129 GLU H H 8.477 0.020 1 547 128 129 GLU C C 173.456 0.3 1 548 128 129 GLU CA C 54.233 0.3 1 549 128 129 GLU CB C 27.705 0.3 1 550 128 129 GLU N N 122.025 0.3 1 551 130 131 SER H H 8.713 0.020 1 552 130 131 SER C C 175.400 0.3 1 553 130 131 SER CA C 56.704 0.3 1 554 130 131 SER CB C 63.749 0.3 1 555 130 131 SER N N 118.706 0.3 1 556 131 132 LYS H H 8.752 0.020 1 557 131 132 LYS C C 178.931 0.3 1 558 131 132 LYS CA C 58.867 0.3 1 559 131 132 LYS CB C 30.995 0.3 1 560 131 132 LYS N N 125.477 0.3 1 561 132 133 ALA H H 8.201 0.020 1 562 132 133 ALA C C 179.560 0.3 1 563 132 133 ALA CA C 54.089 0.3 1 564 132 133 ALA CB C 17.354 0.3 1 565 132 133 ALA N N 121.362 0.3 1 566 133 134 GLU H H 7.466 0.020 1 567 133 134 GLU C C 179.243 0.3 1 568 133 134 GLU CA C 58.347 0.3 1 569 133 134 GLU CB C 28.802 0.3 1 570 133 134 GLU N N 119.786 0.3 1 571 134 135 ILE H H 7.633 0.020 1 572 134 135 ILE C C 178.731 0.3 1 573 134 135 ILE CA C 63.475 0.3 1 574 134 135 ILE CB C 28.733 0.3 1 575 134 135 ILE N N 120.043 0.3 1 576 135 136 ALA H H 7.957 0.020 1 577 135 136 ALA C C 178.836 0.3 1 578 135 136 ALA CA C 53.874 0.3 1 579 135 136 ALA CB C 17.697 0.3 1 580 135 136 ALA N N 122.344 0.3 1 581 136 137 ASN H H 7.946 0.020 1 582 136 137 ASN C C 176.184 0.3 1 583 136 137 ASN CA C 54.106 0.3 1 584 136 137 ASN CB C 38.604 0.3 1 585 136 137 ASN N N 113.949 0.3 1 586 137 138 LYS H H 8.215 0.020 1 587 137 138 LYS C C 175.958 0.3 1 588 137 138 LYS CA C 55.457 0.3 1 589 137 138 LYS N N 115.860 0.3 1 590 140 141 ALA H H 8.613 0.020 1 591 140 141 ALA C C 174.782 0.3 1 592 140 141 ALA CA C 49.773 0.3 1 593 140 141 ALA CB C 20.850 0.3 1 594 140 141 ALA N N 122.618 0.3 1 595 141 142 THR H H 8.829 0.020 1 596 141 142 THR C C 174.255 0.3 1 597 141 142 THR CA C 61.243 0.3 1 598 141 142 THR CB C 67.326 0.3 1 599 141 142 THR N N 120.388 0.3 1 600 142 143 LEU H H 8.858 0.020 1 601 142 143 LEU C C 175.355 0.3 1 602 142 143 LEU CA C 54.540 0.3 1 603 142 143 LEU CB C 42.648 0.3 1 604 142 143 LEU N N 130.213 0.3 1 605 143 144 VAL H H 7.830 0.020 1 606 143 144 VAL C C 174.044 0.3 1 607 143 144 VAL CA C 60.460 0.3 1 608 143 144 VAL CB C 33.806 0.3 1 609 143 144 VAL N N 120.344 0.3 1 610 144 145 CYS H H 9.740 0.020 1 611 144 145 CYS C C 171.527 0.3 1 612 144 145 CYS CA C 52.357 0.3 1 613 144 145 CYS CB C 42.717 0.3 1 614 144 145 CYS N N 127.805 0.3 1 615 145 146 LEU H H 8.965 0.020 1 616 145 146 LEU C C 173.908 0.3 1 617 145 146 LEU CA C 53.062 0.3 1 618 145 146 LEU CB C 44.910 0.3 1 619 145 146 LEU N N 128.159 0.3 1 620 146 147 ALA H H 9.241 0.020 1 621 146 147 ALA C C 175.611 0.3 1 622 146 147 ALA CA C 48.638 0.3 1 623 146 147 ALA CB C 20.096 0.3 1 624 146 147 ALA N N 129.735 0.3 1 625 147 148 ARG H H 9.177 0.020 1 626 147 148 ARG C C 176.048 0.3 1 627 147 148 ARG CA C 54.784 0.3 1 628 147 148 ARG CB C 32.640 0.3 1 629 147 148 ARG N N 120.149 0.3 1 630 148 149 GLY H H 8.051 0.020 1 631 148 149 GLY C C 174.089 0.3 1 632 148 149 GLY CA C 45.857 0.3 1 633 148 149 GLY N N 110.525 0.3 1 634 149 150 PHE H H 7.320 0.020 1 635 149 150 PHE C C 174.194 0.3 1 636 149 150 PHE CA C 53.055 0.3 1 637 149 150 PHE CB C 40.866 0.3 1 638 149 150 PHE N N 112.577 0.3 1 639 150 151 PHE H H 9.144 0.020 1 640 150 151 PHE C C 174.194 0.3 1 641 150 151 PHE CA C 57.485 0.3 1 642 150 151 PHE CB C 41.689 0.3 1 643 150 151 PHE N N 120.264 0.3 1 644 152 153 ASP H H 8.363 0.020 1 645 152 153 ASP C C 175.671 0.3 1 646 152 153 ASP CA C 53.045 0.3 1 647 152 153 ASP CB C 35.543 0.3 1 648 152 153 ASP N N 116.923 0.3 1 649 153 154 HIS H H 7.431 0.020 1 650 153 154 HIS C C 173.049 0.3 1 651 153 154 HIS CA C 51.496 0.3 1 652 153 154 HIS CB C 28.422 0.3 1 653 153 154 HIS N N 124.291 0.3 1 654 154 155 VAL H H 7.280 0.020 1 655 154 155 VAL C C 174.948 0.3 1 656 154 155 VAL CA C 57.634 0.3 1 657 154 155 VAL CB C 35.039 0.3 1 658 154 155 VAL N N 112.656 0.3 1 659 155 156 GLU H H 8.257 0.020 1 660 155 156 GLU C C 174.451 0.3 1 661 155 156 GLU CA C 54.617 0.3 1 662 155 156 GLU CB C 32.503 0.3 1 663 155 156 GLU N N 120.397 0.3 1 664 156 157 LEU H H 9.212 0.020 1 665 156 157 LEU C C 175.641 0.3 1 666 156 157 LEU CA C 54.510 0.3 1 667 156 157 LEU CB C 44.431 0.3 1 668 156 157 LEU N N 131.257 0.3 1 669 157 158 SER H H 9.699 0.020 1 670 157 158 SER C C 171.331 0.3 1 671 157 158 SER CA C 56.350 0.3 1 672 157 158 SER CB C 65.955 0.3 1 673 157 158 SER N N 122.548 0.3 1 674 158 159 TRP H H 8.833 0.020 1 675 158 159 TRP C C 175.204 0.3 1 676 158 159 TRP CA C 56.111 0.3 1 677 158 159 TRP CB C 32.298 0.3 1 678 158 159 TRP N N 120.981 0.3 1 679 159 160 TRP H H 9.381 0.020 1 680 159 160 TRP C C 176.787 0.3 1 681 159 160 TRP CA C 54.823 0.3 1 682 159 160 TRP CB C 29.624 0.3 1 683 159 160 TRP N N 121.246 0.3 1 684 160 161 VAL H H 9.219 0.020 1 685 160 161 VAL C C 176.440 0.3 1 686 160 161 VAL CA C 59.887 0.3 1 687 160 161 VAL CB C 32.366 0.3 1 688 160 161 VAL N N 127.256 0.3 1 689 161 162 ASN H H 9.739 0.020 1 690 161 162 ASN C C 175.897 0.3 1 691 161 162 ASN CA C 54.236 0.3 1 692 161 162 ASN CB C 36.136 0.3 1 693 161 162 ASN N N 129.115 0.3 1 694 162 163 GLY H H 8.921 0.020 1 695 162 163 GLY C C 173.607 0.3 1 696 162 163 GLY CA C 45.172 0.3 1 697 162 163 GLY N N 102.694 0.3 1 698 163 164 LYS H H 7.749 0.020 1 699 163 164 LYS C C 174.104 0.3 1 700 163 164 LYS CA C 53.845 0.3 1 701 163 164 LYS CB C 34.080 0.3 1 702 163 164 LYS N N 121.415 0.3 1 703 164 165 GLU H H 8.080 0.020 1 704 164 165 GLU C C 176.726 0.3 1 705 164 165 GLU CA C 55.763 0.3 1 706 164 165 GLU CB C 27.431 0.3 1 707 164 165 GLU N N 128.133 0.3 1 708 165 166 VAL H H 7.996 0.020 1 709 165 166 VAL C C 173.622 0.3 1 710 165 166 VAL CA C 59.795 0.3 1 711 165 166 VAL CB C 33.806 0.3 1 712 165 166 VAL N N 123.211 0.3 1 713 169 170 VAL H H 7.200 0.020 1 714 169 170 VAL C C 176.772 0.3 1 715 169 170 VAL CA C 60.969 0.3 1 716 169 170 VAL CB C 32.572 0.3 1 717 169 170 VAL N N 121.370 0.3 1 718 170 171 SER H H 9.058 0.020 1 719 170 171 SER C C 173.297 0.3 1 720 170 171 SER CA C 56.115 0.3 1 721 170 171 SER CB C 63.282 0.3 1 722 170 171 SER N N 123.636 0.3 1 723 171 172 THR H H 9.214 0.020 1 724 171 172 THR C C 173.715 0.3 1 725 171 172 THR CA C 60.549 0.3 1 726 171 172 THR CB C 69.314 0.3 1 727 171 172 THR N N 127.854 0.3 1 728 172 173 ASP H H 8.493 0.020 1 729 172 173 ASP C C 174.433 0.3 1 730 172 173 ASP CA C 53.492 0.3 1 731 172 173 ASP CB C 39.564 0.3 1 732 172 173 ASP N N 130.584 0.3 1 733 174 175 GLN H H 7.296 0.020 1 734 174 175 GLN C C 174.014 0.3 1 735 174 175 GLN CA C 53.430 0.3 1 736 174 175 GLN CB C 31.269 0.3 1 737 174 175 GLN N N 112.860 0.3 1 738 175 176 ALA H H 9.056 0.020 1 739 175 176 ALA C C 176.420 0.3 1 740 175 176 ALA CA C 51.652 0.3 1 741 175 176 ALA CB C 18.999 0.3 1 742 175 176 ALA N N 125.442 0.3 1 743 176 177 TYR H H 9.294 0.020 1 744 176 177 TYR C C 174.567 0.3 1 745 176 177 TYR CA C 56.115 0.3 1 746 176 177 TYR CB C 39.289 0.3 1 747 176 177 TYR N N 124.486 0.3 1 748 177 178 LYS H H 8.358 0.020 1 749 177 178 LYS C C 175.240 0.3 1 750 177 178 LYS CA C 55.918 0.3 1 751 177 178 LYS CB C 31.064 0.3 1 752 177 178 LYS N N 127.407 0.3 1 753 178 179 GLU H H 8.325 0.020 1 754 178 179 GLU C C 176.376 0.3 1 755 178 179 GLU CA C 56.976 0.3 1 756 178 179 GLU CB C 29.967 0.3 1 757 178 179 GLU N N 128.318 0.3 1 758 179 180 SER H H 7.981 0.020 1 759 179 180 SER C C 173.611 0.3 1 760 179 180 SER CA C 56.733 0.3 1 761 179 180 SER CB C 62.596 0.3 1 762 179 180 SER N N 112.453 0.3 1 763 181 182 TYR H H 7.753 0.020 1 764 181 182 TYR C C 174.074 0.3 1 765 181 182 TYR CA C 54.481 0.3 1 766 181 182 TYR CB C 37.027 0.3 1 767 181 182 TYR N N 113.426 0.3 1 768 182 183 SER H H 6.738 0.020 1 769 182 183 SER C C 172.206 0.3 1 770 182 183 SER CA C 58.096 0.3 1 771 182 183 SER CB C 63.761 0.3 1 772 182 183 SER N N 112.195 0.3 1 773 183 184 TYR H H 8.590 0.020 1 774 183 184 TYR C C 173.820 0.3 1 775 183 184 TYR CA C 56.585 0.3 1 776 183 184 TYR CB C 42.169 0.3 1 777 183 184 TYR N N 126.336 0.3 1 778 184 185 SER H H 8.976 0.020 1 779 184 185 SER C C 172.654 0.3 1 780 184 185 SER CA C 56.276 0.3 1 781 184 185 SER CB C 66.366 0.3 1 782 184 185 SER N N 111.296 0.3 1 783 185 186 LEU H H 9.444 0.020 1 784 185 186 LEU C C 173.491 0.3 1 785 185 186 LEU CA C 55.450 0.3 1 786 185 186 LEU CB C 46.898 0.3 1 787 185 186 LEU N N 123.778 0.3 1 788 186 187 SER H H 8.522 0.020 1 789 186 187 SER C C 172.475 0.3 1 790 186 187 SER CA C 56.056 0.3 1 791 186 187 SER CB C 67.394 0.3 1 792 186 187 SER N N 121.264 0.3 1 793 187 188 SER H H 8.877 0.020 1 794 187 188 SER C C 172.550 0.3 1 795 187 188 SER CA C 56.208 0.3 1 796 187 188 SER CB C 63.898 0.3 1 797 187 188 SER N N 113.550 0.3 1 798 188 189 ARG H H 8.639 0.020 1 799 188 189 ARG C C 173.431 0.3 1 800 188 189 ARG CA C 54.040 0.3 1 801 188 189 ARG CB C 32.092 0.3 1 802 188 189 ARG N N 127.805 0.3 1 803 189 190 LEU H H 8.206 0.020 1 804 189 190 LEU C C 173.514 0.3 1 805 189 190 LEU CA C 52.435 0.3 1 806 189 190 LEU CB C 39.906 0.3 1 807 189 190 LEU N N 124.288 0.3 1 808 190 191 ARG H H 8.254 0.020 1 809 190 191 ARG C C 175.763 0.3 1 810 190 191 ARG CA C 54.040 0.3 1 811 190 191 ARG CB C 30.652 0.3 1 812 190 191 ARG N N 127.672 0.3 1 813 191 192 VAL H H 8.720 0.020 1 814 191 192 VAL C C 174.597 0.3 1 815 191 192 VAL CA C 57.807 0.3 1 816 191 192 VAL CB C 34.902 0.3 1 817 191 192 VAL N N 119.591 0.3 1 818 192 193 SER H H 8.652 0.020 1 819 192 193 SER C C 175.539 0.3 1 820 192 193 SER CA C 58.085 0.3 1 821 192 193 SER CB C 63.007 0.3 1 822 192 193 SER N N 116.684 0.3 1 823 193 194 ALA H H 8.275 0.020 1 824 193 194 ALA C C 178.318 0.3 1 825 193 194 ALA CA C 55.443 0.3 1 826 193 194 ALA CB C 16.874 0.3 1 827 193 194 ALA N N 126.681 0.3 1 828 194 195 THR H H 7.949 0.020 1 829 194 195 THR C C 176.048 0.3 1 830 194 195 THR CA C 64.586 0.3 1 831 194 195 THR CB C 68.011 0.3 1 832 194 195 THR N N 108.384 0.3 1 833 195 196 PHE H H 7.660 0.020 1 834 195 196 PHE C C 178.169 0.3 1 835 195 196 PHE CA C 60.735 0.3 1 836 195 196 PHE CB C 39.906 0.3 1 837 195 196 PHE N N 124.778 0.3 1 838 196 197 TRP H H 7.706 0.020 1 839 196 197 TRP C C 173.999 0.3 1 840 196 197 TRP CA C 58.347 0.3 1 841 196 197 TRP CB C 29.144 0.3 1 842 196 197 TRP N N 119.644 0.3 1 843 197 198 HIS H H 7.612 0.020 1 844 197 198 HIS C C 174.209 0.3 1 845 197 198 HIS CA C 54.106 0.3 1 846 197 198 HIS CB C 27.705 0.3 1 847 197 198 HIS N N 112.435 0.3 1 848 198 199 ASN H H 6.897 0.020 1 849 198 199 ASN C C 174.164 0.3 1 850 198 199 ASN CA C 48.951 0.3 1 851 198 199 ASN CB C 38.261 0.3 1 852 198 199 ASN N N 118.678 0.3 1 853 200 201 ARG H H 7.629 0.020 1 854 200 201 ARG C C 176.914 0.3 1 855 200 201 ARG CA C 55.532 0.3 1 856 200 201 ARG CB C 28.733 0.3 1 857 200 201 ARG N N 115.400 0.3 1 858 201 202 ASN H H 7.665 0.020 1 859 201 202 ASN C C 171.967 0.3 1 860 201 202 ASN CA C 51.887 0.3 1 861 201 202 ASN CB C 37.850 0.3 1 862 201 202 ASN N N 118.272 0.3 1 863 202 203 HIS H H 8.206 0.020 1 864 202 203 HIS C C 173.013 0.3 1 865 202 203 HIS CA C 55.136 0.3 1 866 202 203 HIS CB C 33.874 0.3 1 867 202 203 HIS N N 122.862 0.3 1 868 203 204 PHE H H 8.450 0.020 1 869 203 204 PHE C C 173.581 0.3 1 870 203 204 PHE CA C 55.802 0.3 1 871 203 204 PHE CB C 41.277 0.3 1 872 203 204 PHE N N 124.725 0.3 1 873 204 205 ARG H H 9.149 0.020 1 874 204 205 ARG C C 173.402 0.3 1 875 204 205 ARG CA C 54.236 0.3 1 876 204 205 ARG CB C 34.423 0.3 1 877 204 205 ARG N N 121.822 0.3 1 878 205 206 CYS H H 8.826 0.020 1 879 205 206 CYS C C 171.474 0.3 1 880 205 206 CYS CA C 51.974 0.3 1 881 205 206 CYS CB C 42.511 0.3 1 882 205 206 CYS N N 127.637 0.3 1 883 206 207 GLN H H 9.235 0.020 1 884 206 207 GLN C C 173.432 0.3 1 885 206 207 GLN CA C 53.766 0.3 1 886 206 207 GLN CB C 32.160 0.3 1 887 206 207 GLN N N 127.876 0.3 1 888 207 208 VAL H H 9.125 0.020 1 889 207 208 VAL C C 174.164 0.3 1 890 207 208 VAL CA C 60.226 0.3 1 891 207 208 VAL CB C 31.475 0.3 1 892 207 208 VAL N N 127.743 0.3 1 893 208 209 GLN H H 8.893 0.020 1 894 208 209 GLN C C 173.820 0.3 1 895 208 209 GLN CA C 54.432 0.3 1 896 208 209 GLN CB C 29.281 0.3 1 897 208 209 GLN N N 128.575 0.3 1 898 209 210 PHE H H 8.829 0.020 1 899 209 210 PHE C C 172.610 0.3 1 900 209 210 PHE CA C 54.920 0.3 1 901 209 210 PHE CB C 40.935 0.3 1 902 209 210 PHE N N 128.318 0.3 1 903 210 211 HIS H H 7.411 0.020 1 904 210 211 HIS C C 174.119 0.3 1 905 210 211 HIS CA C 55.136 0.3 1 906 210 211 HIS CB C 29.350 0.3 1 907 210 211 HIS N N 128.363 0.3 1 908 211 212 GLY H H 7.757 0.020 1 909 211 212 GLY C C 173.521 0.3 1 910 211 212 GLY CA C 42.995 0.3 1 911 211 212 GLY N N 112.665 0.3 1 912 212 213 LEU H H 8.248 0.020 1 913 212 213 LEU C C 176.121 0.3 1 914 212 213 LEU CA C 54.158 0.3 1 915 212 213 LEU CB C 41.346 0.3 1 916 212 213 LEU N N 124.508 0.3 1 917 213 214 SER H H 9.259 0.020 1 918 213 214 SER C C 176.062 0.3 1 919 213 214 SER CA C 56.585 0.3 1 920 213 214 SER CB C 64.653 0.3 1 921 213 214 SER N N 116.777 0.3 1 922 215 216 GLU H H 8.278 0.020 1 923 215 216 GLU C C 177.093 0.3 1 924 215 216 GLU CA C 56.808 0.3 1 925 215 216 GLU CB C 28.802 0.3 1 926 215 216 GLU N N 115.905 0.3 1 927 216 217 ASP H H 7.294 0.020 1 928 216 217 ASP C C 175.897 0.3 1 929 216 217 ASP CA C 54.823 0.3 1 930 216 217 ASP CB C 41.277 0.3 1 931 216 217 ASP N N 120.822 0.3 1 932 217 218 LYS H H 8.443 0.020 1 933 217 218 LYS C C 175.793 0.3 1 934 217 218 LYS CA C 55.768 0.3 1 935 217 218 LYS CB C 31.886 0.3 1 936 217 218 LYS N N 122.946 0.3 1 937 218 219 TRP H H 8.251 0.020 1 938 218 219 TRP C C 173.727 0.3 1 939 218 219 TRP CA C 53.336 0.3 1 940 218 219 TRP CB C 32.023 0.3 1 941 218 219 TRP N N 123.647 0.3 1 942 222 223 SER H H 7.688 0.020 1 943 222 223 SER C C 172.161 0.3 1 944 222 223 SER CA C 55.757 0.3 1 945 222 223 SER CB C 62.870 0.3 1 946 222 223 SER N N 116.152 0.3 1 947 226 227 VAL H H 7.588 0.020 1 948 226 227 VAL C C 175.718 0.3 1 949 226 227 VAL CA C 59.756 0.3 1 950 226 227 VAL CB C 32.435 0.3 1 951 226 227 VAL N N 118.051 0.3 1 952 227 228 THR H H 7.733 0.020 1 953 227 228 THR C C 174.522 0.3 1 954 227 228 THR CA C 62.770 0.3 1 955 227 228 THR CB C 68.628 0.3 1 956 227 228 THR N N 118.839 0.3 1 957 228 229 GLN H H 8.767 0.020 1 958 228 229 GLN C C 172.087 0.3 1 959 228 229 GLN CA C 54.425 0.3 1 960 228 229 GLN CB C 31.201 0.3 1 961 228 229 GLN N N 122.751 0.3 1 962 229 230 ASN H H 8.575 0.020 1 963 229 230 ASN C C 174.582 0.3 1 964 229 230 ASN CA C 51.355 0.3 1 965 229 230 ASN CB C 39.289 0.3 1 966 229 230 ASN N N 120.078 0.3 1 967 230 231 ILE H H 8.965 0.020 1 968 230 231 ILE C C 174.552 0.3 1 969 230 231 ILE CA C 60.069 0.3 1 970 230 231 ILE CB C 39.632 0.3 1 971 230 231 ILE N N 127.026 0.3 1 972 231 232 SER H H 8.494 0.020 1 973 231 232 SER C C 172.983 0.3 1 974 231 232 SER CA C 56.679 0.3 1 975 231 232 SER CB C 66.435 0.3 1 976 231 232 SER N N 120.733 0.3 1 977 232 233 ALA H H 8.523 0.020 1 978 232 233 ALA C C 175.031 0.3 1 979 232 233 ALA CA C 50.828 0.3 1 980 232 233 ALA CB C 22.427 0.3 1 981 232 233 ALA N N 124.141 0.3 1 982 233 234 GLU H H 8.691 0.020 1 983 233 234 GLU C C 174.448 0.3 1 984 233 234 GLU CA C 53.751 0.3 1 985 233 234 GLU CB C 33.874 0.3 1 986 233 234 GLU N N 118.618 0.3 1 987 234 235 ALA H H 8.953 0.020 1 988 234 235 ALA C C 174.762 0.3 1 989 234 235 ALA CA C 51.547 0.3 1 990 234 235 ALA CB C 21.672 0.3 1 991 234 235 ALA N N 122.132 0.3 1 992 235 236 TRP H H 8.462 0.020 1 993 235 236 TRP C C 176.211 0.3 1 994 235 236 TRP CA C 56.035 0.3 1 995 235 236 TRP CB C 31.201 0.3 1 996 235 236 TRP N N 121.760 0.3 1 997 236 237 GLY H H 8.547 0.020 1 998 236 237 GLY C C 171.997 0.3 1 999 236 237 GLY CA C 45.172 0.3 1 1000 236 237 GLY N N 105.597 0.3 1 1001 237 238 ARG H H 6.041 0.020 1 1002 237 238 ARG C C 174.493 0.3 1 1003 237 238 ARG CA C 53.923 0.3 1 1004 237 238 ARG CB C 31.475 0.3 1 1005 237 238 ARG N N 117.125 0.3 1 1006 238 239 ALA H H 8.437 0.020 1 1007 238 239 ALA C C 177.452 0.3 1 1008 238 239 ALA CA C 51.770 0.3 1 1009 238 239 ALA CB C 18.176 0.3 1 1010 238 239 ALA N N 126.442 0.3 1 1011 239 240 ASP H H 8.257 0.020 1 1012 239 240 ASP C C 174.986 0.3 1 1013 239 240 ASP CA C 53.562 0.3 1 1014 239 240 ASP CB C 39.975 0.3 1 1015 239 240 ASP N N 120.724 0.3 1 1016 240 241 SER H H 7.634 0.020 1 1017 240 241 SER C C 178.513 0.3 1 1018 240 241 SER CA C 59.286 0.3 1 1019 240 241 SER CB C 63.967 0.3 1 1020 240 241 SER N N 121.423 0.3 1 stop_ save_