data_26751 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone NMR assignments of the 2B4 T-cell receptor. ; _BMRB_accession_number 26751 _BMRB_flat_file_name bmr26751.str _Entry_type original _Submission_date 2016-03-02 _Accession_date 2016-03-02 _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 Natarajan Aswin . . 2 Nadarajah Vidushan . . 3 Felsovalyi Klara . . 4 Wang Wenjuan . . 5 Jeyachandran Vivian R. . 6 Wasson Riley . . 7 Cardozo Timothy . . 8 Bracken Clay . . 9 Krogsgaard Michelle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 282 "13C chemical shifts" 827 "15N chemical shifts" 282 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-26 update BMRB 'update entry citation' 2016-04-07 original author 'original release' stop_ _Original_release_date 2016-04-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Model of the Extracellular Assembly of the TCR-CD3 Complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26997265 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Natarajan Aswin . . 2 Nadarajah Vidushan . . 3 Felsovalyi Klara . . 4 Wang Wenjuan . . 5 Jeyachandran Vivian R. . 6 Wasson Riley . . 7 Cardozo Timothy . . 8 Bracken Clay . . 9 Krogsgaard Michelle . . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_volume 14 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2833 _Page_last 2845 _Year 2016 _Details . loop_ _Keyword 'Chemical shift perturbation' 'NMR spectroscopy' 'T-cell activation' 'T-cell receptor' 'TCR-CD3 interaction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '2B4 TCR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 2B4alpha $2B4alpha 2B4beta $2B4beta stop_ _System_molecular_weight 50535 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Antigen recognition' 'CD3 interaction' 'T-cell activation' 'T-cell receptor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_2B4alpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 2B4alpha _Molecular_mass 22790 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Antigen recognition' 'T-cell activation' 'T-cell receptor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MRGDQVEQSPSALSLHEGTG SALRCNFTTTMRAVQWFQQN SRGSLINLFYLASGTKENGR LKSTFNSKESYSTLHIRDAQ LEDSGTYFCAALRATGGNNK LTFGQGTVLSVIPDIQNPDP AVYQLRDSKSSDKSVCLFTD FDSQTNVSQSKDSDVYITDK CVLDMRSMDFKSNSAVAWSN KSDFACANAFNNSIIPEDTF FPSPESS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 MET 2 -1 ARG 3 0 GLY 4 1 ASP 5 2 GLN 6 3 VAL 7 4 GLU 8 5 GLN 9 6 SER 10 7 PRO 11 8 SER 12 9 ALA 13 10 LEU 14 11 SER 15 12 LEU 16 13 HIS 17 14 GLU 18 15 GLY 19 16 THR 20 17 GLY 21 18 SER 22 19 ALA 23 20 LEU 24 21 ARG 25 22 CYS 26 23 ASN 27 24 PHE 28 25 THR 29 26 THR 30 27 THR 31 28 MET 32 29 ARG 33 30 ALA 34 31 VAL 35 32 GLN 36 33 TRP 37 34 PHE 38 35 GLN 39 36 GLN 40 37 ASN 41 38 SER 42 39 ARG 43 40 GLY 44 41 SER 45 42 LEU 46 43 ILE 47 44 ASN 48 45 LEU 49 46 PHE 50 47 TYR 51 48 LEU 52 49 ALA 53 50 SER 54 51 GLY 55 52 THR 56 53 LYS 57 54 GLU 58 55 ASN 59 56 GLY 60 57 ARG 61 58 LEU 62 59 LYS 63 60 SER 64 61 THR 65 62 PHE 66 63 ASN 67 64 SER 68 65 LYS 69 66 GLU 70 67 SER 71 68 TYR 72 69 SER 73 70 THR 74 71 LEU 75 72 HIS 76 73 ILE 77 74 ARG 78 75 ASP 79 76 ALA 80 77 GLN 81 78 LEU 82 79 GLU 83 80 ASP 84 81 SER 85 82 GLY 86 83 THR 87 84 TYR 88 85 PHE 89 86 CYS 90 87 ALA 91 88 ALA 92 89 LEU 93 90 ARG 94 91 ALA 95 92 THR 96 93 GLY 97 94 GLY 98 95 ASN 99 96 ASN 100 97 LYS 101 98 LEU 102 99 THR 103 100 PHE 104 101 GLY 105 102 GLN 106 103 GLY 107 104 THR 108 105 VAL 109 106 LEU 110 107 SER 111 108 VAL 112 109 ILE 113 110 PRO 114 111 ASP 115 112 ILE 116 113 GLN 117 114 ASN 118 115 PRO 119 116 ASP 120 117 PRO 121 118 ALA 122 119 VAL 123 120 TYR 124 121 GLN 125 122 LEU 126 123 ARG 127 124 ASP 128 125 SER 129 126 LYS 130 127 SER 131 128 SER 132 129 ASP 133 130 LYS 134 131 SER 135 132 VAL 136 133 CYS 137 134 LEU 138 135 PHE 139 136 THR 140 137 ASP 141 138 PHE 142 139 ASP 143 140 SER 144 141 GLN 145 142 THR 146 143 ASN 147 144 VAL 148 145 SER 149 146 GLN 150 147 SER 151 148 LYS 152 149 ASP 153 150 SER 154 151 ASP 155 152 VAL 156 153 TYR 157 154 ILE 158 155 THR 159 156 ASP 160 157 LYS 161 158 CYS 162 159 VAL 163 160 LEU 164 161 ASP 165 162 MET 166 163 ARG 167 164 SER 168 165 MET 169 166 ASP 170 167 PHE 171 168 LYS 172 169 SER 173 170 ASN 174 171 SER 175 172 ALA 176 173 VAL 177 174 ALA 178 175 TRP 179 176 SER 180 177 ASN 181 178 LYS 182 179 SER 183 180 ASP 184 181 PHE 185 182 ALA 186 183 CYS 187 184 ALA 188 185 ASN 189 186 ALA 190 187 PHE 191 188 ASN 192 189 ASN 193 190 SER 194 191 ILE 195 192 ILE 196 193 PRO 197 194 GLU 198 195 ASP 199 196 THR 200 197 PHE 201 198 PHE 202 199 PRO 203 200 SER 204 201 PRO 205 202 GLU 206 203 SER 207 204 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_2B4beta _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 2B4beta _Molecular_mass 27745 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Antigen recognition' 'T-cell activation' 'T-cell receptor' stop_ _Details . _Residue_count 243 _Mol_residue_sequence ; MKVIQTPRYLVKGQGQKAKM RCIPEKGHPVVFWYQQNKNN EFKFLINFQNQEVLQQIDMT EKRFSAECPSNSPCSLEIQS SEAGDSALYLCASSLNWSQD TQYFGPGTRLLVLEDLKNVF PPEVAVFEPSEAEISHTQKA TLVCLATGFYPDHVELSWWV NGKEVHSGVCTDPQPLKEQP ALNDSRYALSSRLRVSATFW QNPRNHFRCQVQFYGLSEND EWTQDRAKPVTQIVSAEAWG RAD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 0 LYS 3 1 VAL 4 2 ILE 5 3 GLN 6 4 THR 7 5 PRO 8 6 ARG 9 7 TYR 10 8 LEU 11 9 VAL 12 10 LYS 13 11 GLY 14 12 GLN 15 13 GLY 16 14 GLN 17 15 LYS 18 16 ALA 19 17 LYS 20 18 MET 21 19 ARG 22 20 CYS 23 21 ILE 24 22 PRO 25 23 GLU 26 24 LYS 27 25 GLY 28 26 HIS 29 27 PRO 30 28 VAL 31 29 VAL 32 30 PHE 33 31 TRP 34 32 TYR 35 33 GLN 36 34 GLN 37 35 ASN 38 36 LYS 39 37 ASN 40 38 ASN 41 39 GLU 42 40 PHE 43 41 LYS 44 42 PHE 45 43 LEU 46 44 ILE 47 45 ASN 48 46 PHE 49 47 GLN 50 48 ASN 51 49 GLN 52 50 GLU 53 51 VAL 54 52 LEU 55 53 GLN 56 54 GLN 57 55 ILE 58 56 ASP 59 57 MET 60 58 THR 61 59 GLU 62 60 LYS 63 61 ARG 64 62 PHE 65 63 SER 66 64 ALA 67 65 GLU 68 66 CYS 69 67 PRO 70 68 SER 71 69 ASN 72 70 SER 73 71 PRO 74 72 CYS 75 73 SER 76 74 LEU 77 75 GLU 78 76 ILE 79 77 GLN 80 78 SER 81 79 SER 82 80 GLU 83 81 ALA 84 82 GLY 85 83 ASP 86 84 SER 87 85 ALA 88 86 LEU 89 87 TYR 90 88 LEU 91 89 CYS 92 90 ALA 93 91 SER 94 92 SER 95 93 LEU 96 94 ASN 97 95 TRP 98 96 SER 99 97 GLN 100 98 ASP 101 99 THR 102 100 GLN 103 101 TYR 104 102 PHE 105 103 GLY 106 104 PRO 107 105 GLY 108 106 THR 109 107 ARG 110 108 LEU 111 109 LEU 112 110 VAL 113 111 LEU 114 112 GLU 115 113 ASP 116 114 LEU 117 115 LYS 118 116 ASN 119 117 VAL 120 118 PHE 121 119 PRO 122 120 PRO 123 121 GLU 124 122 VAL 125 123 ALA 126 124 VAL 127 125 PHE 128 126 GLU 129 127 PRO 130 128 SER 131 129 GLU 132 130 ALA 133 131 GLU 134 132 ILE 135 133 SER 136 134 HIS 137 135 THR 138 136 GLN 139 137 LYS 140 138 ALA 141 139 THR 142 140 LEU 143 141 VAL 144 142 CYS 145 143 LEU 146 144 ALA 147 145 THR 148 146 GLY 149 147 PHE 150 148 TYR 151 149 PRO 152 150 ASP 153 151 HIS 154 152 VAL 155 153 GLU 156 154 LEU 157 155 SER 158 156 TRP 159 157 TRP 160 158 VAL 161 159 ASN 162 160 GLY 163 161 LYS 164 162 GLU 165 163 VAL 166 164 HIS 167 165 SER 168 166 GLY 169 167 VAL 170 168 CYS 171 169 THR 172 170 ASP 173 171 PRO 174 172 GLN 175 173 PRO 176 174 LEU 177 175 LYS 178 176 GLU 179 177 GLN 180 178 PRO 181 179 ALA 182 180 LEU 183 181 ASN 184 182 ASP 185 183 SER 186 184 ARG 187 185 TYR 188 186 ALA 189 187 LEU 190 188 SER 191 189 SER 192 190 ARG 193 191 LEU 194 192 ARG 195 193 VAL 196 194 SER 197 195 ALA 198 196 THR 199 197 PHE 200 198 TRP 201 199 GLN 202 200 ASN 203 201 PRO 204 202 ARG 205 203 ASN 206 204 HIS 207 205 PHE 208 206 ARG 209 207 CYS 210 208 GLN 211 209 VAL 212 210 GLN 213 211 PHE 214 212 TYR 215 213 GLY 216 214 LEU 217 215 SER 218 216 GLU 219 217 ASN 220 218 ASP 221 219 GLU 222 220 TRP 223 221 THR 224 222 GLN 225 223 ASP 226 224 ARG 227 225 ALA 228 226 LYS 229 227 PRO 230 228 VAL 231 229 THR 232 230 GLN 233 231 ILE 234 232 VAL 235 233 SER 236 234 ALA 237 235 GLU 238 236 ALA 239 237 TRP 240 238 GLY 241 239 ARG 242 240 ALA 243 241 ASP 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 _Details $2B4alpha 'house mouse' . Eukaryota Metazoa Mus musculus 'Containing Homo sapiens LC13 TCR constant region' $2B4beta 'house mouse' . Eukaryota Metazoa Mus musculus 'Containing Homo sapiens LC13 TCR constant region' 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 $2B4alpha 'recombinant technology' . Escherichia coli . pET $2B4beta 'recombinant technology' . Escherichia coli . pET 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 $2B4alpha 200 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' MES 200 mM 'natural abundance' Arginine 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $2B4beta 300 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' MES 200 mM 'natural abundance' Arginine 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 2B4alpha loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.0 . pH pressure 1 . atm temperature 295 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 2B4beta loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CACB' '3D HN(CO)CA' 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 2B4alpha _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 4 4 ASP C C 176.4981 . 1 2 4 4 ASP CA C 54.3562 . 1 3 4 4 ASP CB C 42.4293 . 1 4 5 5 GLN H H 8.2705 . 1 5 5 5 GLN C C 175.2294 . 1 6 5 5 GLN CA C 57.0726 . 1 7 5 5 GLN CB C 29.4873 . 1 8 5 5 GLN N N 119.2604 . 1 9 6 6 VAL H H 7.7561 . 1 10 6 6 VAL C C 174.5781 . 1 11 6 6 VAL CA C 60.8244 . 1 12 6 6 VAL CB C 33.3125 . 1 13 6 6 VAL N N 119.5857 . 1 14 7 7 GLU H H 8.7259 . 1 15 7 7 GLU CA C 54.6554 . 1 16 7 7 GLU CB C 31.2561 . 1 17 7 7 GLU N N 126.7635 . 1 18 10 10 PRO C C 176.9794 . 1 19 10 10 PRO CA C 57.7111 . 1 20 10 10 PRO CB C 32.1467 . 1 21 11 11 SER H H 7.9695 . 1 22 11 11 SER C C 175.2306 . 1 23 11 11 SER CA C 60.4465 . 1 24 11 11 SER CB C 62.3716 . 1 25 11 11 SER N N 114.7969 . 1 26 12 12 ALA H H 7.5868 . 1 27 12 12 ALA C C 174.8192 . 1 28 12 12 ALA CA C 50.9599 . 1 29 12 12 ALA CB C 20.7841 . 1 30 12 12 ALA N N 123.8663 . 1 31 13 13 LEU H H 8.5364 . 1 32 13 13 LEU N N 122.3678 . 1 33 16 16 HIS C C 176.4571 . 1 34 16 16 HIS CA C 57.5412 . 1 35 16 16 HIS CB C 29.5875 . 1 36 17 17 GLU H H 8.0776 . 1 37 17 17 GLU C C 177.0555 . 1 38 17 17 GLU CA C 57.4577 . 1 39 17 17 GLU CB C 29.4765 . 1 40 17 17 GLU N N 124.9904 . 1 41 18 18 GLY H H 10.1756 . 1 42 18 18 GLY C C 174.9393 . 1 43 18 18 GLY CA C 44.5426 . 1 44 18 18 GLY N N 113.7381 . 1 45 19 19 THR H H 7.5882 . 1 46 19 19 THR C C 172.4142 . 1 47 19 19 THR CA C 60.8157 . 1 48 19 19 THR CB C 70.3464 . 1 49 19 19 THR N N 112.8434 . 1 50 20 20 GLY H H 7.8143 . 1 51 20 20 GLY C C 173.8810 . 1 52 20 20 GLY CA C 44.3161 . 1 53 20 20 GLY N N 103.2584 . 1 54 21 21 SER H H 8.0202 . 1 55 21 21 SER C C 172.4382 . 1 56 21 21 SER CA C 57.9371 . 1 57 21 21 SER CB C 64.7359 . 1 58 21 21 SER N N 110.9019 . 1 59 22 22 ALA H H 7.8730 . 1 60 22 22 ALA C C 175.5958 . 1 61 22 22 ALA CA C 49.9576 . 1 62 22 22 ALA CB C 20.3291 . 1 63 22 22 ALA N N 121.2051 . 1 64 23 23 LEU H H 9.0516 . 1 65 23 23 LEU C C 175.9044 . 1 66 23 23 LEU CA C 53.4073 . 1 67 23 23 LEU CB C 41.9655 . 1 68 23 23 LEU N N 123.8891 . 1 69 24 24 ARG H H 8.8272 . 1 70 24 24 ARG C C 174.5100 . 1 71 24 24 ARG CB C 33.0430 . 1 72 24 24 ARG N N 120.5258 . 1 73 25 25 CYS H H 7.8311 . 1 74 25 25 CYS C C 174.0542 . 1 75 25 25 CYS CA C 54.7570 . 1 76 25 25 CYS CB C 38.7818 . 1 77 25 25 CYS N N 120.3506 . 1 78 26 26 ASN H H 7.1571 . 1 79 26 26 ASN C C 172.6199 . 1 80 26 26 ASN CA C 57.0409 . 1 81 26 26 ASN CB C 42.1426 . 1 82 26 26 ASN N N 118.8455 . 1 83 27 27 PHE H H 7.1326 . 1 84 27 27 PHE CA C 53.7512 . 1 85 27 27 PHE CB C 34.3517 . 1 86 27 27 PHE N N 126.2282 . 1 87 28 28 THR C C 175.8017 . 1 88 28 28 THR CA C 67.1031 . 1 89 29 29 THR H H 8.3410 . 1 90 29 29 THR C C 177.1139 . 1 91 29 29 THR CA C 53.2025 . 1 92 29 29 THR N N 118.0903 . 1 93 30 30 THR H H 7.6101 . 1 94 30 30 THR CA C 60.5005 . 1 95 30 30 THR CB C 70.0776 . 1 96 30 30 THR N N 111.2467 . 1 97 36 36 TRP C C 176.0073 . 1 98 36 36 TRP CA C 55.9292 . 1 99 36 36 TRP CB C 33.0490 . 1 100 37 37 PHE H H 9.4161 . 1 101 37 37 PHE C C 174.8192 . 1 102 37 37 PHE CA C 55.8783 . 1 103 37 37 PHE CB C 44.4624 . 1 104 37 37 PHE N N 119.9833 . 1 105 38 38 GLN H H 8.5889 . 1 106 38 38 GLN C C 173.8162 . 1 107 38 38 GLN CA C 53.7001 . 1 108 38 38 GLN N N 122.2554 . 1 109 39 39 GLN H H 9.5960 . 1 110 39 39 GLN C C 176.4277 . 1 111 39 39 GLN CA C 53.6259 . 1 112 39 39 GLN CB C 30.0837 . 1 113 39 39 GLN N N 129.7992 . 1 114 40 40 ASN H H 8.2921 . 1 115 40 40 ASN CA C 51.2753 . 1 116 40 40 ASN CB C 38.1849 . 1 117 40 40 ASN N N 126.8002 . 1 118 41 41 SER C C 174.2220 . 1 119 41 41 SER CA C 60.3263 . 1 120 42 42 ARG H H 6.1894 . 1 121 42 42 ARG C C 176.8403 . 1 122 42 42 ARG CA C 57.9119 . 1 123 42 42 ARG N N 111.6667 . 1 124 43 43 GLY H H 6.9526 . 1 125 43 43 GLY C C 171.4336 . 1 126 43 43 GLY CA C 44.1533 . 1 127 43 43 GLY N N 105.3706 . 1 128 44 44 SER H H 8.3209 . 1 129 44 44 SER C C 173.5289 . 1 130 44 44 SER CA C 61.0140 . 1 131 44 44 SER CB C 68.4180 . 1 132 44 44 SER N N 117.3349 . 1 133 45 45 LEU H H 9.1379 . 1 134 45 45 LEU CA C 56.3553 . 1 135 45 45 LEU CB C 40.3926 . 1 136 45 45 LEU N N 127.3143 . 1 137 46 46 ILE C C 175.3870 . 1 138 46 46 ILE CA C 63.5928 . 1 139 46 46 ILE CB C 31.3839 . 1 140 47 47 ASN H H 8.8825 . 1 141 47 47 ASN C C 173.7020 . 1 142 47 47 ASN CA C 51.7364 . 1 143 47 47 ASN CB C 40.4022 . 1 144 47 47 ASN N N 122.2328 . 1 145 48 48 LEU H H 7.8674 . 1 146 48 48 LEU C C 174.6753 . 1 147 48 48 LEU CA C 53.8272 . 1 148 48 48 LEU CB C 40.0854 . 1 149 48 48 LEU N N 120.5554 . 1 150 49 49 PHE H H 7.1734 . 1 151 49 49 PHE C C 172.9370 . 1 152 49 49 PHE CA C 61.2382 . 1 153 49 49 PHE CB C 32.5355 . 1 154 49 49 PHE N N 122.9194 . 1 155 50 50 TYR H H 7.9385 . 1 156 50 50 TYR C C 173.2047 . 1 157 50 50 TYR CA C 56.0018 . 1 158 50 50 TYR CB C 36.8418 . 1 159 50 50 TYR N N 129.3800 . 1 160 51 51 LEU H H 7.3921 . 1 161 51 51 LEU CA C 60.0655 . 1 162 51 51 LEU CB C 40.4673 . 1 163 51 51 LEU N N 119.8278 . 1 164 54 54 GLY C C 172.6795 . 1 165 54 54 GLY CA C 44.2573 . 1 166 55 55 THR H H 7.9035 . 1 167 55 55 THR C C 174.4948 . 1 168 55 55 THR CA C 61.0901 . 1 169 55 55 THR CB C 71.9821 . 1 170 55 55 THR N N 117.3299 . 1 171 56 56 LYS H H 8.2120 . 1 172 56 56 LYS C C 177.1564 . 1 173 56 56 LYS CA C 63.2047 . 1 174 56 56 LYS CB C 31.0645 . 1 175 56 56 LYS N N 129.1167 . 1 176 57 57 GLU H H 8.3458 . 1 177 57 57 GLU CA C 56.3116 . 1 178 57 57 GLU CB C 29.1902 . 1 179 57 57 GLU N N 120.7537 . 1 180 60 60 ARG C C 174.7054 . 1 181 60 60 ARG CA C 57.3120 . 1 182 61 61 LEU H H 7.7678 . 1 183 61 61 LEU C C 176.0762 . 1 184 61 61 LEU CA C 53.1863 . 1 185 61 61 LEU CB C 44.6200 . 1 186 61 61 LEU N N 119.3090 . 1 187 62 62 LYS H H 8.2541 . 1 188 62 62 LYS C C 173.9874 . 1 189 62 62 LYS CA C 54.5146 . 1 190 62 62 LYS CB C 35.5214 . 1 191 62 62 LYS N N 121.2788 . 1 192 63 63 SER H H 8.5688 . 1 193 63 63 SER CA C 54.9436 . 1 194 63 63 SER CB C 64.8695 . 1 195 63 63 SER N N 119.9288 . 1 196 67 67 SER C C 173.6582 . 1 197 67 67 SER CA C 57.7783 . 1 198 67 67 SER CB C 63.3866 . 1 199 68 68 LYS H H 8.1292 . 1 200 68 68 LYS C C 176.0159 . 1 201 68 68 LYS CA C 55.3743 . 1 202 68 68 LYS CB C 28.7638 . 1 203 68 68 LYS N N 120.9577 . 1 204 69 69 GLU H H 8.5134 . 1 205 69 69 GLU C C 176.7189 . 1 206 69 69 GLU CA C 57.6581 . 1 207 69 69 GLU N N 115.3264 . 1 208 70 70 SER H H 7.3330 . 1 209 70 70 SER C C 177.9831 . 1 210 70 70 SER CA C 59.1707 . 1 211 70 70 SER N N 113.0239 . 1 212 71 71 TYR H H 7.5391 . 1 213 71 71 TYR CA C 63.1401 . 1 214 71 71 TYR N N 114.3819 . 1 215 73 73 THR C C 172.8167 . 1 216 73 73 THR CA C 59.1404 . 1 217 73 73 THR CB C 71.4214 . 1 218 74 74 LEU H H 8.0105 . 1 219 74 74 LEU C C 173.7439 . 1 220 74 74 LEU CA C 53.0874 . 1 221 74 74 LEU CB C 41.1635 . 1 222 74 74 LEU N N 124.0052 . 1 223 75 75 HIS H H 9.4655 . 1 224 75 75 HIS CA C 54.8841 . 1 225 75 75 HIS CB C 31.0526 . 1 226 75 75 HIS N N 126.9479 . 1 227 76 76 ILE C C 174.4619 . 1 228 76 76 ILE CA C 59.7458 . 1 229 76 76 ILE CB C 40.1192 . 1 230 77 77 ARG H H 7.7721 . 1 231 77 77 ARG C C 173.5576 . 1 232 77 77 ARG CA C 53.4607 . 1 233 77 77 ARG CB C 31.4951 . 1 234 77 77 ARG N N 125.5805 . 1 235 78 78 ASP H H 8.3133 . 1 236 78 78 ASP C C 175.4297 . 1 237 78 78 ASP CA C 53.5478 . 1 238 78 78 ASP N N 119.5316 . 1 239 79 79 ALA H H 8.3485 . 1 240 79 79 ALA C C 177.7194 . 1 241 79 79 ALA CA C 53.6317 . 1 242 79 79 ALA CB C 18.0709 . 1 243 79 79 ALA N N 117.6675 . 1 244 80 80 GLN H H 8.9430 . 1 245 80 80 GLN C C 177.3997 . 1 246 80 80 GLN CA C 52.0030 . 1 247 80 80 GLN N N 120.2559 . 1 248 81 81 LEU H H 9.0316 . 1 249 81 81 LEU C C 178.2718 . 1 250 81 81 LEU CA C 58.4776 . 1 251 81 81 LEU N N 122.7813 . 1 252 82 82 GLU H H 7.5295 . 1 253 82 82 GLU C C 172.6698 . 1 254 82 82 GLU CA C 55.3743 . 1 255 82 82 GLU N N 116.7102 . 1 256 83 83 ASP H H 7.9487 . 1 257 83 83 ASP N N 118.4291 . 1 258 84 84 SER C C 173.9135 . 1 259 84 84 SER CA C 57.9695 . 1 260 84 84 SER CB C 62.9230 . 1 261 85 85 GLY H H 8.2579 . 1 262 85 85 GLY C C 172.1285 . 1 263 85 85 GLY CA C 45.6497 . 1 264 85 85 GLY N N 109.4456 . 1 265 86 86 THR H H 7.9451 . 1 266 86 86 THR C C 173.9396 . 1 267 86 86 THR CA C 60.5757 . 1 268 86 86 THR CB C 71.8659 . 1 269 86 86 THR N N 116.2706 . 1 270 87 87 TYR H H 8.6687 . 1 271 87 87 TYR C C 173.5224 . 1 272 87 87 TYR CA C 54.9745 . 1 273 87 87 TYR CB C 37.5455 . 1 274 87 87 TYR N N 125.2952 . 1 275 88 88 PHE H H 8.5512 . 1 276 88 88 PHE C C 175.3475 . 1 277 88 88 PHE CA C 54.7660 . 1 278 88 88 PHE CB C 32.7152 . 1 279 88 88 PHE N N 120.9674 . 1 280 89 89 CYS H H 8.8692 . 1 281 89 89 CYS C C 169.5275 . 1 282 89 89 CYS CA C 52.5829 . 1 283 89 89 CYS N N 121.9965 . 1 284 90 90 ALA H H 7.1503 . 1 285 90 90 ALA C C 172.9731 . 1 286 90 90 ALA CA C 58.7284 . 1 287 90 90 ALA N N 121.5739 . 1 288 91 91 ALA H H 8.6938 . 1 289 91 91 ALA C C 171.3828 . 1 290 91 91 ALA CA C 53.8089 . 1 291 91 91 ALA N N 121.0179 . 1 292 92 92 LEU H H 8.6772 . 1 293 92 92 LEU CA C 51.6704 . 1 294 92 92 LEU CB C 40.6606 . 1 295 92 92 LEU N N 122.8369 . 1 296 97 97 GLY C C 176.0712 . 1 297 97 97 GLY CA C 43.7910 . 1 298 98 98 ASN H H 8.4424 . 1 299 98 98 ASN C C 176.0216 . 1 300 98 98 ASN CA C 51.0114 . 1 301 98 98 ASN N N 115.8214 . 1 302 99 99 ASN H H 8.5296 . 1 303 99 99 ASN N N 122.7938 . 1 304 102 102 THR C C 173.7638 . 1 305 102 102 THR CA C 61.2751 . 1 306 102 102 THR CB C 69.3313 . 1 307 103 103 PHE H H 8.9623 . 1 308 103 103 PHE C C 178.1010 . 1 309 103 103 PHE CA C 58.0114 . 1 310 103 103 PHE CB C 41.3446 . 1 311 103 103 PHE N N 127.1984 . 1 312 104 104 GLY H H 8.6805 . 1 313 104 104 GLY CA C 44.0250 . 1 314 104 104 GLY N N 106.9379 . 1 315 105 105 GLN C C 171.3395 . 1 316 105 105 GLN CA C 51.9503 . 1 317 105 105 GLN CB C 23.6507 . 1 318 106 106 GLY H H 8.4964 . 1 319 106 106 GLY C C 176.4675 . 1 320 106 106 GLY CA C 49.1725 . 1 321 106 106 GLY N N 125.2957 . 1 322 107 107 THR H H 8.8265 . 1 323 107 107 THR C C 175.9561 . 1 324 107 107 THR CA C 57.3057 . 1 325 107 107 THR N N 119.5432 . 1 326 108 108 VAL H H 9.2987 . 1 327 108 108 VAL N N 124.8638 . 1 328 113 113 PRO C C 175.9257 . 1 329 113 113 PRO CA C 61.8933 . 1 330 113 113 PRO CB C 31.3014 . 1 331 114 114 ASP H H 9.2312 . 1 332 114 114 ASP C C 174.9942 . 1 333 114 114 ASP CA C 53.1426 . 1 334 114 114 ASP CB C 39.9172 . 1 335 114 114 ASP N N 124.5550 . 1 336 115 115 ILE H H 7.8830 . 1 337 115 115 ILE CA C 57.3511 . 1 338 115 115 ILE CB C 34.4568 . 1 339 115 115 ILE N N 126.8798 . 1 340 127 127 ASP C C 173.9585 . 1 341 127 127 ASP CA C 54.2815 . 1 342 127 127 ASP CB C 45.4974 . 1 343 128 128 SER H H 8.4126 . 1 344 128 128 SER C C 173.2386 . 1 345 128 128 SER CA C 55.8303 . 1 346 128 128 SER CB C 63.4076 . 1 347 128 128 SER N N 121.7427 . 1 348 129 129 LYS H H 8.3914 . 1 349 129 129 LYS C C 177.3603 . 1 350 129 129 LYS CA C 52.0753 . 1 351 129 129 LYS N N 124.4543 . 1 352 130 130 SER H H 8.9643 . 1 353 130 130 SER CA C 54.3083 . 1 354 130 130 SER N N 126.5994 . 1 355 132 132 ASP C C 173.4266 . 1 356 132 132 ASP CB C 41.8627 . 1 357 133 133 LYS H H 8.4874 . 1 358 133 133 LYS C C 176.3793 . 1 359 133 133 LYS CA C 54.2010 . 1 360 133 133 LYS N N 118.8527 . 1 361 134 134 SER H H 8.8304 . 1 362 134 134 SER C C 172.0018 . 1 363 134 134 SER CA C 56.3791 . 1 364 134 134 SER CB C 63.9630 . 1 365 134 134 SER N N 124.4213 . 1 366 135 135 VAL H H 7.7954 . 1 367 135 135 VAL C C 175.2011 . 1 368 135 135 VAL CA C 59.9265 . 1 369 135 135 VAL CB C 32.1225 . 1 370 135 135 VAL N N 125.3615 . 1 371 136 136 CYS H H 8.5162 . 1 372 136 136 CYS C C 174.1664 . 1 373 136 136 CYS CA C 56.8969 . 1 374 136 136 CYS CB C 38.6258 . 1 375 136 136 CYS N N 129.4943 . 1 376 137 137 LEU H H 7.8124 . 1 377 137 137 LEU C C 171.6876 . 1 378 137 137 LEU CA C 55.1014 . 1 379 137 137 LEU CB C 40.6559 . 1 380 137 137 LEU N N 122.5976 . 1 381 138 138 PHE H H 7.9050 . 1 382 138 138 PHE CA C 50.5386 . 1 383 138 138 PHE CB C 38.2779 . 1 384 138 138 PHE N N 127.8672 . 1 385 144 144 GLN C C 176.0652 . 1 386 144 144 GLN CA C 56.1464 . 1 387 144 144 GLN CB C 27.7814 . 1 388 145 145 THR H H 7.3129 . 1 389 145 145 THR C C 172.7050 . 1 390 145 145 THR CA C 63.7285 . 1 391 145 145 THR CB C 69.3428 . 1 392 145 145 THR N N 119.0482 . 1 393 146 146 ASN H H 8.7869 . 1 394 146 146 ASN CA C 51.3349 . 1 395 146 146 ASN CB C 39.7560 . 1 396 146 146 ASN N N 127.0395 . 1 397 148 148 SER C C 175.2256 . 1 398 148 148 SER CB C 61.5196 . 1 399 149 149 GLN H H 9.2469 . 1 400 149 149 GLN C C 174.9783 . 1 401 149 149 GLN CA C 54.5146 . 1 402 149 149 GLN N N 129.1184 . 1 403 150 150 SER H H 9.0058 . 1 404 150 150 SER C C 173.9692 . 1 405 150 150 SER CB C 64.1512 . 1 406 150 150 SER N N 120.2474 . 1 407 151 151 LYS H H 8.5046 . 1 408 151 151 LYS C C 175.8060 . 1 409 151 151 LYS CB C 37.8645 . 1 410 151 151 LYS N N 122.7796 . 1 411 152 152 ASP H H 8.0620 . 1 412 152 152 ASP C C 176.1095 . 1 413 152 152 ASP CA C 57.7783 . 1 414 152 152 ASP N N 126.9871 . 1 415 153 153 SER H H 8.2097 . 1 416 153 153 SER C C 173.6934 . 1 417 153 153 SER CA C 53.5863 . 1 418 153 153 SER N N 119.4191 . 1 419 154 154 ASP H H 7.8642 . 1 420 154 154 ASP C C 177.1689 . 1 421 154 154 ASP CA C 60.3363 . 1 422 154 154 ASP N N 117.6650 . 1 423 155 155 VAL H H 8.3469 . 1 424 155 155 VAL N N 119.5689 . 1 425 156 156 TYR C C 175.9128 . 1 426 156 156 TYR CA C 59.6883 . 1 427 156 156 TYR CB C 41.6073 . 1 428 157 157 ILE H H 9.2365 . 1 429 157 157 ILE C C 176.7404 . 1 430 157 157 ILE CB C 38.6228 . 1 431 157 157 ILE N N 127.8651 . 1 432 158 158 THR H H 9.0210 . 1 433 158 158 THR C C 174.5630 . 1 434 158 158 THR CB C 71.6152 . 1 435 158 158 THR N N 117.1124 . 1 436 159 159 ASP H H 8.9548 . 1 437 159 159 ASP C C 174.0903 . 1 438 159 159 ASP CA C 54.9146 . 1 439 159 159 ASP CB C 41.6164 . 1 440 159 159 ASP N N 127.9095 . 1 441 160 160 LYS H H 8.9692 . 1 442 160 160 LYS C C 175.1345 . 1 443 160 160 LYS CA C 54.7477 . 1 444 160 160 LYS CB C 29.7441 . 1 445 160 160 LYS N N 123.2486 . 1 446 161 161 CYS H H 8.8301 . 1 447 161 161 CYS C C 176.4509 . 1 448 161 161 CYS CA C 55.3743 . 1 449 161 161 CYS CB C 43.2209 . 1 450 161 161 CYS N N 130.9696 . 1 451 162 162 VAL H H 8.8052 . 1 452 162 162 VAL C C 176.1696 . 1 453 162 162 VAL CA C 54.7477 . 1 454 162 162 VAL CB C 31.0736 . 1 455 162 162 VAL N N 120.6294 . 1 456 163 163 LEU H H 7.9687 . 1 457 163 163 LEU C C 177.4667 . 1 458 163 163 LEU CA C 53.8877 . 1 459 163 163 LEU CB C 41.1635 . 1 460 163 163 LEU N N 123.3297 . 1 461 164 164 ASP H H 8.9564 . 1 462 164 164 ASP C C 176.6331 . 1 463 164 164 ASP CA C 59.6369 . 1 464 164 164 ASP N N 121.5788 . 1 465 165 165 MET H H 6.8681 . 1 466 165 165 MET C C 172.6865 . 1 467 165 165 MET CA C 62.4343 . 1 468 165 165 MET N N 109.9450 . 1 469 166 166 ARG H H 6.2273 . 1 470 166 166 ARG C C 175.4671 . 1 471 166 166 ARG CA C 55.6280 . 1 472 166 166 ARG CB C 33.0430 . 1 473 166 166 ARG N N 129.1083 . 1 474 167 167 SER H H 7.5916 . 1 475 167 167 SER C C 176.1598 . 1 476 167 167 SER CB C 61.6205 . 1 477 167 167 SER N N 115.2312 . 1 478 168 168 MET H H 7.7850 . 1 479 168 168 MET C C 176.6804 . 1 480 168 168 MET CA C 56.5737 . 1 481 168 168 MET CB C 40.9541 . 1 482 168 168 MET N N 114.6177 . 1 483 169 169 ASP H H 9.1972 . 1 484 169 169 ASP CA C 57.8262 . 1 485 169 169 ASP CB C 43.1176 . 1 486 169 169 ASP N N 120.6797 . 1 487 178 178 TRP C C 176.8900 . 1 488 178 178 TRP CA C 61.5597 . 1 489 178 178 TRP CB C 30.8900 . 1 490 179 179 SER H H 8.3661 . 1 491 179 179 SER C C 174.0090 . 1 492 179 179 SER CB C 62.5225 . 1 493 179 179 SER N N 118.8045 . 1 494 180 180 ASN H H 8.2824 . 1 495 180 180 ASN C C 176.0492 . 1 496 180 180 ASN CA C 54.1300 . 1 497 180 180 ASN CB C 40.0567 . 1 498 180 180 ASN N N 117.6808 . 1 499 181 181 LYS H H 8.0005 . 1 500 181 181 LYS C C 175.9932 . 1 501 181 181 LYS CA C 55.8789 . 1 502 181 181 LYS CB C 33.1545 . 1 503 181 181 LYS N N 120.9445 . 1 504 182 182 SER H H 8.3498 . 1 505 182 182 SER CA C 57.2893 . 1 506 182 182 SER CB C 66.1613 . 1 507 182 182 SER N N 116.5850 . 1 508 183 183 ASP C C 176.6735 . 1 509 183 183 ASP CA C 54.5146 . 1 510 184 184 PHE H H 7.5392 . 1 511 184 184 PHE C C 173.5268 . 1 512 184 184 PHE CA C 59.0034 . 1 513 184 184 PHE N N 125.4731 . 1 514 185 185 ALA H H 9.5338 . 1 515 185 185 ALA C C 174.2440 . 1 516 185 185 ALA CA C 51.4495 . 1 517 185 185 ALA N N 123.3174 . 1 518 186 186 CYS H H 7.8292 . 1 519 186 186 CYS C C 174.0336 . 1 520 186 186 CYS CA C 58.4859 . 1 521 186 186 CYS N N 117.2612 . 1 522 187 187 ALA H H 8.2413 . 1 523 187 187 ALA C C 175.3956 . 1 524 187 187 ALA CA C 52.9802 . 1 525 187 187 ALA N N 119.1664 . 1 526 188 188 ASN H H 7.1954 . 1 527 188 188 ASN C C 173.6558 . 1 528 188 188 ASN CA C 57.7340 . 1 529 188 188 ASN CB C 39.1675 . 1 530 188 188 ASN N N 122.0093 . 1 531 189 189 ALA H H 7.4683 . 1 532 189 189 ALA C C 176.1114 . 1 533 189 189 ALA CA C 48.9197 . 1 534 189 189 ALA N N 130.5372 . 1 535 190 190 PHE H H 6.7093 . 1 536 190 190 PHE CA C 62.9069 . 1 537 190 190 PHE N N 133.4940 . 1 538 197 197 GLU C C 174.0832 . 1 539 197 197 GLU CA C 54.9943 . 1 540 197 197 GLU CB C 30.7591 . 1 541 198 198 ASP H H 8.1206 . 1 542 198 198 ASP C C 176.5963 . 1 543 198 198 ASP CA C 59.7396 . 1 544 198 198 ASP CB C 40.1484 . 1 545 198 198 ASP N N 123.3177 . 1 546 199 199 THR H H 9.1488 . 1 547 199 199 THR C C 173.9962 . 1 548 199 199 THR CA C 61.5082 . 1 549 199 199 THR CB C 71.8689 . 1 550 199 199 THR N N 120.3460 . 1 551 200 200 PHE H H 8.1943 . 1 552 200 200 PHE C C 178.0614 . 1 553 200 200 PHE CA C 52.4362 . 1 554 200 200 PHE CB C 41.4498 . 1 555 200 200 PHE N N 115.9926 . 1 556 201 201 PHE H H 9.2810 . 1 557 201 201 PHE CA C 54.6852 . 1 558 201 201 PHE CB C 33.9415 . 1 559 201 201 PHE N N 120.6478 . 1 560 204 204 PRO C C 177.0475 . 1 561 204 204 PRO CA C 63.3013 . 1 562 205 205 GLU H H 8.2762 . 1 563 205 205 GLU C C 176.5788 . 1 564 205 205 GLU CB C 29.1174 . 1 565 205 205 GLU N N 120.8149 . 1 566 206 206 SER H H 8.1366 . 1 567 206 206 SER C C 173.6884 . 1 568 206 206 SER CA C 57.9813 . 1 569 206 206 SER CB C 63.3809 . 1 570 206 206 SER N N 117.3521 . 1 571 207 207 SER H H 7.8614 . 1 572 207 207 SER CA C 59.7374 . 1 573 207 207 SER CB C 64.0520 . 1 574 207 207 SER N N 123.6873 . 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CACB' '3D HN(CA)CO' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 2B4beta _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 VAL C C 175.4722 . 1 2 3 3 VAL CA C 61.9016 . 1 3 11 11 VAL C C 173.4241 . 1 4 11 11 VAL CA C 58.2089 . 1 5 11 11 VAL CB C 33.2821 . 1 6 12 12 LYS H H 8.4664 . 1 7 12 12 LYS C C 175.1251 . 1 8 12 12 LYS CA C 51.5349 . 1 9 12 12 LYS CB C 36.4638 . 1 10 12 12 LYS N N 124.6965 . 1 11 13 13 GLY H H 8.5119 . 1 12 13 13 GLY C C 173.9175 . 1 13 13 13 GLY CA C 42.9451 . 1 14 13 13 GLY N N 108.4752 . 1 15 14 14 GLN H H 7.8970 . 1 16 14 14 GLN C C 177.2499 . 1 17 14 14 GLN CA C 56.6355 . 1 18 14 14 GLN CB C 27.5525 . 1 19 14 14 GLN N N 120.2461 . 1 20 15 15 GLY H H 9.7575 . 1 21 15 15 GLY CA C 44.3773 . 1 22 15 15 GLY N N 114.4817 . 1 23 16 16 GLN H H 7.8268 . 1 24 16 16 GLN C C 176.7217 . 1 25 16 16 GLN CA C 54.6254 . 1 26 16 16 GLN CB C 29.9790 . 1 27 16 16 GLN N N 118.6336 . 1 28 17 17 LYS H H 8.5851 . 1 29 17 17 LYS C C 176.4427 . 1 30 17 17 LYS CA C 55.9516 . 1 31 17 17 LYS CB C 32.7101 . 1 32 17 17 LYS N N 123.8433 . 1 33 18 18 ALA H H 8.1942 . 1 34 18 18 ALA C C 174.3480 . 1 35 18 18 ALA CA C 50.0146 . 1 36 18 18 ALA CB C 20.8859 . 1 37 18 18 ALA N N 125.1392 . 1 38 19 19 LYS H H 8.4597 . 1 39 19 19 LYS C C 173.6943 . 1 40 19 19 LYS CA C 55.3758 . 1 41 19 19 LYS N N 124.8755 . 1 42 20 20 MET H H 8.6868 . 1 43 20 20 MET C C 174.4167 . 1 44 20 20 MET CA C 54.5521 . 1 45 20 20 MET N N 125.1049 . 1 46 21 21 ARG H H 8.9126 . 1 47 21 21 ARG C C 176.5437 . 1 48 21 21 ARG CA C 54.8795 . 1 49 21 21 ARG CB C 34.0444 . 1 50 21 21 ARG N N 118.6097 . 1 51 22 22 CYS H H 9.1856 . 1 52 22 22 CYS C C 176.5660 . 1 53 22 22 CYS CA C 53.3745 . 1 54 22 22 CYS CB C 43.7560 . 1 55 22 22 CYS N N 123.5633 . 1 56 23 23 ILE H H 9.4207 . 1 57 23 23 ILE C C 173.6012 . 1 58 23 23 ILE CA C 58.1213 . 1 59 23 23 ILE CB C 38.5709 . 1 60 23 23 ILE N N 129.0644 . 1 61 32 32 PHE C C 174.8031 . 1 62 32 32 PHE CA C 55.4192 . 1 63 33 33 TRP H H 8.4935 . 1 64 33 33 TRP C C 175.5375 . 1 65 33 33 TRP CA C 55.7720 . 1 66 33 33 TRP CB C 32.0117 . 1 67 33 33 TRP N N 117.1274 . 1 68 34 34 TYR H H 9.6804 . 1 69 34 34 TYR C C 174.0450 . 1 70 34 34 TYR CA C 56.0244 . 1 71 34 34 TYR CB C 42.9030 . 1 72 34 34 TYR N N 119.3253 . 1 73 35 35 GLN H H 9.2965 . 1 74 35 35 GLN C C 173.9580 . 1 75 35 35 GLN CA C 53.3186 . 1 76 35 35 GLN CB C 32.6063 . 1 77 35 35 GLN N N 121.5279 . 1 78 36 36 GLN H H 9.2650 . 1 79 36 36 GLN C C 175.9014 . 1 80 36 36 GLN CA C 53.4446 . 1 81 36 36 GLN CB C 29.1563 . 1 82 36 36 GLN N N 128.4566 . 1 83 37 37 ASN H H 8.1304 . 1 84 37 37 ASN C C 176.9345 . 1 85 37 37 ASN CA C 51.2373 . 1 86 37 37 ASN CB C 38.9840 . 1 87 37 37 ASN N N 127.3042 . 1 88 38 38 LYS H H 6.7505 . 1 89 38 38 LYS C C 176.6114 . 1 90 38 38 LYS CA C 57.7952 . 1 91 38 38 LYS N N 112.8049 . 1 92 39 39 ASN H H 7.7311 . 1 93 39 39 ASN C C 174.3779 . 1 94 39 39 ASN CA C 52.5927 . 1 95 39 39 ASN CB C 37.8016 . 1 96 39 39 ASN N N 117.4251 . 1 97 40 40 ASN H H 8.1815 . 1 98 40 40 ASN C C 173.1683 . 1 99 40 40 ASN CA C 54.3708 . 1 100 40 40 ASN CB C 35.5690 . 1 101 40 40 ASN N N 112.7327 . 1 102 41 41 GLU H H 7.4131 . 1 103 41 41 GLU C C 176.0072 . 1 104 41 41 GLU CA C 55.1797 . 1 105 41 41 GLU CB C 29.6111 . 1 106 41 41 GLU N N 116.6484 . 1 107 42 42 PHE H H 8.8795 . 1 108 42 42 PHE C C 176.1377 . 1 109 42 42 PHE CA C 56.7088 . 1 110 42 42 PHE CB C 41.1953 . 1 111 42 42 PHE N N 123.8879 . 1 112 43 43 LYS H H 9.2175 . 1 113 43 43 LYS C C 175.8967 . 1 114 43 43 LYS CA C 54.5506 . 1 115 43 43 LYS CB C 34.5561 . 1 116 43 43 LYS N N 123.3440 . 1 117 44 44 PHE H H 8.8608 . 1 118 44 44 PHE CA C 58.6740 . 1 119 44 44 PHE CB C 39.0164 . 1 120 44 44 PHE N N 127.9718 . 1 121 45 45 LEU C C 174.6558 . 1 122 45 45 LEU CA C 55.4192 . 1 123 46 46 ILE H H 6.3738 . 1 124 46 46 ILE C C 171.8102 . 1 125 46 46 ILE CA C 60.4694 . 1 126 46 46 ILE N N 114.0059 . 1 127 47 47 ASN H H 8.3705 . 1 128 47 47 ASN C C 172.5737 . 1 129 47 47 ASN CA C 51.1666 . 1 130 47 47 ASN N N 122.0318 . 1 131 48 48 PHE H H 9.0882 . 1 132 48 48 PHE CA C 56.9224 . 1 133 48 48 PHE CB C 43.6997 . 1 134 48 48 PHE N N 120.3995 . 1 135 54 54 LEU C C 174.8284 . 1 136 55 55 GLN H H 8.0902 . 1 137 55 55 GLN CA C 60.5635 . 1 138 55 55 GLN N N 125.8539 . 1 139 56 56 GLN H H 9.6354 . 1 140 56 56 GLN C C 175.0590 . 1 141 56 56 GLN CA C 55.5807 . 1 142 56 56 GLN N N 125.1821 . 1 143 57 57 ILE H H 7.9613 . 1 144 57 57 ILE C C 175.4722 . 1 145 57 57 ILE CA C 61.8659 . 1 146 57 57 ILE N N 125.5275 . 1 147 58 58 ASP H H 7.9424 . 1 148 58 58 ASP C C 176.2505 . 1 149 58 58 ASP CA C 59.2981 . 1 150 58 58 ASP CB C 39.0109 . 1 151 58 58 ASP N N 127.8472 . 1 152 59 59 MET H H 7.9485 . 1 153 59 59 MET C C 174.7336 . 1 154 59 59 MET CA C 55.1856 . 1 155 59 59 MET CB C 34.7739 . 1 156 59 59 MET N N 123.1426 . 1 157 60 60 THR H H 8.0521 . 1 158 60 60 THR C C 171.3352 . 1 159 60 60 THR CA C 57.5953 . 1 160 60 60 THR CB C 70.2838 . 1 161 60 60 THR N N 114.3155 . 1 162 63 63 ARG C C 176.5558 . 1 163 63 63 ARG CA C 61.6549 . 1 164 64 64 PHE H H 9.3291 . 1 165 64 64 PHE CA C 56.6715 . 1 166 64 64 PHE N N 116.9828 . 1 167 65 65 SER H H 9.2762 . 1 168 65 65 SER C C 178.5968 . 1 169 65 65 SER CA C 59.0681 . 1 170 65 65 SER CB C 64.1126 . 1 171 65 65 SER N N 128.8451 . 1 172 73 73 PRO C C 177.6614 . 1 173 73 73 PRO CA C 62.8608 . 1 174 73 73 PRO CB C 31.5759 . 1 175 74 74 CYS H H 8.5019 . 1 176 74 74 CYS C C 174.9442 . 1 177 74 74 CYS CA C 58.6257 . 1 178 74 74 CYS CB C 43.1915 . 1 179 74 74 CYS N N 119.5176 . 1 180 75 75 SER H H 9.3740 . 1 181 75 75 SER C C 173.1171 . 1 182 75 75 SER CA C 56.6147 . 1 183 75 75 SER CB C 66.4964 . 1 184 75 75 SER N N 115.9249 . 1 185 76 76 LEU H H 8.4777 . 1 186 76 76 LEU C C 174.0263 . 1 187 76 76 LEU CA C 54.6035 . 1 188 76 76 LEU CB C 42.3803 . 1 189 76 76 LEU N N 127.0380 . 1 190 77 77 GLU H H 8.9472 . 1 191 77 77 GLU C C 175.6072 . 1 192 77 77 GLU CA C 53.1678 . 1 193 77 77 GLU CB C 33.2787 . 1 194 77 77 GLU N N 126.0154 . 1 195 78 78 ILE H H 8.7622 . 1 196 78 78 ILE C C 176.4221 . 1 197 78 78 ILE CA C 60.8442 . 1 198 78 78 ILE N N 129.1620 . 1 199 79 79 GLN H H 7.9791 . 1 200 79 79 GLN CA C 57.7698 . 1 201 79 79 GLN CB C 28.2004 . 1 202 79 79 GLN N N 125.2143 . 1 203 80 80 SER H H 8.1908 . 1 204 80 80 SER C C 173.0888 . 1 205 80 80 SER CA C 56.0285 . 1 206 80 80 SER CB C 61.4261 . 1 207 80 80 SER N N 113.2645 . 1 208 81 81 SER C C 173.9204 . 1 209 81 81 SER CA C 61.0994 . 1 210 81 81 SER CB C 63.9169 . 1 211 82 82 GLU H H 9.5903 . 1 212 82 82 GLU C C 176.9866 . 1 213 82 82 GLU CA C 53.7595 . 1 214 82 82 GLU N N 124.0800 . 1 215 83 83 ALA H H 9.0288 . 1 216 83 83 ALA C C 181.2260 . 1 217 83 83 ALA CA C 55.7035 . 1 218 83 83 ALA CB C 17.5604 . 1 219 83 83 ALA N N 125.2267 . 1 220 84 84 GLY C C 174.6068 . 1 221 84 84 GLY CA C 45.7385 . 1 222 85 85 ASP H H 8.3916 . 1 223 85 85 ASP C C 177.6142 . 1 224 85 85 ASP CA C 54.5863 . 1 225 85 85 ASP N N 118.9242 . 1 226 86 86 SER H H 7.8218 . 1 227 86 86 SER C C 173.0058 . 1 228 86 86 SER CA C 60.2300 . 1 229 86 86 SER CB C 62.5419 . 1 230 86 86 SER N N 118.2893 . 1 231 87 87 ALA H H 8.6868 . 1 232 87 87 ALA C C 173.4555 . 1 233 87 87 ALA CA C 51.5764 . 1 234 87 87 ALA CB C 19.2542 . 1 235 87 87 ALA N N 128.2213 . 1 236 88 88 LEU H H 7.7172 . 1 237 88 88 LEU C C 175.1982 . 1 238 88 88 LEU CA C 53.6681 . 1 239 88 88 LEU CB C 43.1063 . 1 240 88 88 LEU N N 120.4607 . 1 241 89 89 TYR H H 9.2888 . 1 242 89 89 TYR C C 176.2202 . 1 243 89 89 TYR CA C 58.2425 . 1 244 89 89 TYR CB C 39.6389 . 1 245 89 89 TYR N N 126.7672 . 1 246 90 90 LEU H H 9.6684 . 1 247 90 90 LEU C C 176.1840 . 1 248 90 90 LEU CA C 53.8632 . 1 249 90 90 LEU CB C 44.6730 . 1 250 90 90 LEU N N 127.9675 . 1 251 91 91 CYS H H 7.6872 . 1 252 91 91 CYS C C 171.5957 . 1 253 91 91 CYS CA C 51.3449 . 1 254 91 91 CYS CB C 43.5070 . 1 255 91 91 CYS N N 120.7267 . 1 256 92 92 ALA H H 9.0992 . 1 257 92 92 ALA C C 175.8225 . 1 258 92 92 ALA CA C 48.6651 . 1 259 92 92 ALA N N 128.6560 . 1 260 93 93 SER H H 8.9787 . 1 261 93 93 SER CA C 56.4016 . 1 262 93 93 SER CB C 67.2893 . 1 263 93 93 SER N N 114.8320 . 1 264 103 103 TYR C C 175.0103 . 1 265 103 103 TYR CA C 57.4249 . 1 266 103 103 TYR CB C 38.8720 . 1 267 104 104 PHE H H 8.9700 . 1 268 104 104 PHE C C 178.6949 . 1 269 104 104 PHE CA C 58.8059 . 1 270 104 104 PHE CB C 41.2369 . 1 271 104 104 PHE N N 122.0232 . 1 272 105 105 GLY H H 9.1401 . 1 273 105 105 GLY CA C 44.2512 . 1 274 105 105 GLY N N 109.3607 . 1 275 106 106 PRO C C 177.5421 . 1 276 106 106 PRO CA C 63.2454 . 1 277 106 106 PRO CB C 31.5035 . 1 278 107 107 GLY H H 7.0962 . 1 279 107 107 GLY C C 172.4973 . 1 280 107 107 GLY CA C 44.4511 . 1 281 107 107 GLY N N 106.5718 . 1 282 108 108 THR H H 8.3242 . 1 283 108 108 THR C C 173.8661 . 1 284 108 108 THR CA C 61.7557 . 1 285 108 108 THR CB C 71.8385 . 1 286 108 108 THR N N 117.6697 . 1 287 109 109 ARG H H 8.0989 . 1 288 109 109 ARG C C 172.2814 . 1 289 109 109 ARG CA C 55.2179 . 1 290 109 109 ARG CB C 28.2330 . 1 291 109 109 ARG N N 130.4856 . 1 292 110 110 LEU H H 8.7301 . 1 293 110 110 LEU C C 172.2601 . 1 294 110 110 LEU CA C 53.1114 . 1 295 110 110 LEU CB C 43.8343 . 1 296 110 110 LEU N N 129.5290 . 1 297 111 111 LEU H H 9.1620 . 1 298 111 111 LEU C C 172.8544 . 1 299 111 111 LEU CA C 53.5703 . 1 300 111 111 LEU CB C 45.2332 . 1 301 111 111 LEU N N 131.0479 . 1 302 112 112 VAL H H 8.3738 . 1 303 112 112 VAL C C 175.2679 . 1 304 112 112 VAL CA C 59.8656 . 1 305 112 112 VAL CB C 31.5808 . 1 306 112 112 VAL N N 127.2829 . 1 307 113 113 LEU H H 8.5982 . 1 308 113 113 LEU C C 176.9606 . 1 309 113 113 LEU CA C 52.1899 . 1 310 113 113 LEU CB C 44.5959 . 1 311 113 113 LEU N N 126.5161 . 1 312 114 114 GLU H H 8.8040 . 1 313 114 114 GLU CA C 59.1479 . 1 314 114 114 GLU CB C 28.9626 . 1 315 114 114 GLU N N 120.7651 . 1 316 115 115 ASP H H 7.7488 . 1 317 115 115 ASP C C 175.6610 . 1 318 115 115 ASP CA C 52.8887 . 1 319 115 115 ASP CB C 42.6062 . 1 320 115 115 ASP N N 114.6045 . 1 321 116 116 LEU H H 8.6485 . 1 322 116 116 LEU CA C 54.8754 . 1 323 116 116 LEU CB C 40.3451 . 1 324 116 116 LEU N N 122.2523 . 1 325 117 117 LYS H H 8.3521 . 1 326 117 117 LYS C C 176.5170 . 1 327 117 117 LYS CA C 58.6606 . 1 328 117 117 LYS N N 116.8746 . 1 329 118 118 ASN H H 8.1281 . 1 330 118 118 ASN C C 173.8743 . 1 331 118 118 ASN CA C 52.4622 . 1 332 118 118 ASN CB C 38.8168 . 1 333 118 118 ASN N N 117.0067 . 1 334 119 119 VAL H H 7.2412 . 1 335 119 119 VAL C C 176.1373 . 1 336 119 119 VAL CA C 63.3834 . 1 337 119 119 VAL CB C 30.7732 . 1 338 119 119 VAL N N 119.0453 . 1 339 120 120 PHE H H 9.8570 . 1 340 120 120 PHE C C 171.6632 . 1 341 120 120 PHE CA C 55.7725 . 1 342 120 120 PHE CB C 44.3570 . 1 343 120 120 PHE N N 129.4242 . 1 344 122 122 PRO C C 176.7716 . 1 345 122 122 PRO CA C 61.4804 . 1 346 123 123 GLU H H 8.6042 . 1 347 123 123 GLU C C 175.9765 . 1 348 123 123 GLU CA C 55.4650 . 1 349 123 123 GLU CB C 30.1923 . 1 350 123 123 GLU N N 119.7856 . 1 351 124 124 VAL H H 8.3633 . 1 352 124 124 VAL C C 173.4310 . 1 353 124 124 VAL CA C 60.7574 . 1 354 124 124 VAL CB C 34.3499 . 1 355 124 124 VAL N N 122.7215 . 1 356 125 125 ALA H H 8.4571 . 1 357 125 125 ALA C C 174.4295 . 1 358 125 125 ALA CA C 50.6547 . 1 359 125 125 ALA CB C 22.5143 . 1 360 125 125 ALA N N 129.6954 . 1 361 126 126 VAL H H 8.4610 . 1 362 126 126 VAL C C 172.6880 . 1 363 126 126 VAL CA C 60.0003 . 1 364 126 126 VAL CB C 33.9759 . 1 365 126 126 VAL N N 120.2563 . 1 366 127 127 PHE H H 9.5085 . 1 367 127 127 PHE C C 174.8160 . 1 368 127 127 PHE CA C 56.3188 . 1 369 127 127 PHE CB C 40.1921 . 1 370 127 127 PHE N N 127.3102 . 1 371 128 128 GLU H H 8.4041 . 1 372 128 128 GLU C C 173.0798 . 1 373 128 128 GLU CA C 54.1475 . 1 374 128 128 GLU CB C 28.9742 . 1 375 128 128 GLU N N 121.4908 . 1 376 132 132 ALA C C 179.7109 . 1 377 132 132 ALA CA C 53.9183 . 1 378 133 133 GLU H H 7.0446 . 1 379 133 133 GLU CA C 59.0131 . 1 380 133 133 GLU N N 122.5085 . 1 381 134 134 ILE H H 7.6053 . 1 382 134 134 ILE C C 179.7703 . 1 383 134 134 ILE CA C 65.0900 . 1 384 134 134 ILE N N 124.9790 . 1 385 135 135 SER H H 8.2347 . 1 386 135 135 SER CA C 60.6708 . 1 387 135 135 SER CB C 62.5411 . 1 388 135 135 SER N N 114.1300 . 1 389 136 136 HIS H H 8.1369 . 1 390 136 136 HIS C C 176.6229 . 1 391 136 136 HIS CA C 58.6683 . 1 392 136 136 HIS CB C 30.2580 . 1 393 136 136 HIS N N 118.2813 . 1 394 137 137 THR C C 175.5571 . 1 395 137 137 THR CA C 61.9232 . 1 396 138 138 GLN H H 8.0219 . 1 397 138 138 GLN C C 174.2784 . 1 398 138 138 GLN CA C 58.5187 . 1 399 138 138 GLN N N 115.3333 . 1 400 139 139 LYS H H 8.3295 . 1 401 139 139 LYS C C 171.7813 . 1 402 139 139 LYS CA C 55.0329 . 1 403 139 139 LYS CB C 35.4407 . 1 404 139 139 LYS N N 123.0981 . 1 405 140 140 ALA H H 8.3121 . 1 406 140 140 ALA C C 174.5422 . 1 407 140 140 ALA CA C 50.1542 . 1 408 140 140 ALA CB C 20.8066 . 1 409 140 140 ALA N N 119.5092 . 1 410 141 141 THR H H 9.8622 . 1 411 141 141 THR C C 174.4951 . 1 412 141 141 THR CA C 61.8950 . 1 413 141 141 THR CB C 67.1596 . 1 414 141 141 THR N N 123.6674 . 1 415 142 142 LEU H H 8.9494 . 1 416 142 142 LEU C C 176.6012 . 1 417 142 142 LEU CA C 54.9910 . 1 418 142 142 LEU CB C 43.4976 . 1 419 142 142 LEU N N 124.8596 . 1 420 143 143 VAL H H 7.8003 . 1 421 143 143 VAL C C 174.4185 . 1 422 143 143 VAL CA C 59.6570 . 1 423 143 143 VAL CB C 34.9569 . 1 424 143 143 VAL N N 117.5720 . 1 425 144 144 CYS H H 9.5664 . 1 426 144 144 CYS C C 172.1513 . 1 427 144 144 CYS CA C 52.4043 . 1 428 144 144 CYS CB C 42.3164 . 1 429 144 144 CYS N N 127.5153 . 1 430 145 145 LEU H H 9.1746 . 1 431 145 145 LEU C C 174.2401 . 1 432 145 145 LEU N N 127.6743 . 1 433 146 146 ALA H H 9.1609 . 1 434 146 146 ALA C C 176.3615 . 1 435 146 146 ALA CA C 48.7103 . 1 436 146 146 ALA CB C 19.7813 . 1 437 146 146 ALA N N 130.8887 . 1 438 147 147 THR H H 9.3228 . 1 439 147 147 THR C C 175.2263 . 1 440 147 147 THR CA C 59.8789 . 1 441 147 147 THR CB C 71.4639 . 1 442 147 147 THR N N 112.4377 . 1 443 148 148 GLY H H 8.3163 . 1 444 148 148 GLY C C 174.4951 . 1 445 148 148 GLY CA C 46.6887 . 1 446 148 148 GLY N N 110.2796 . 1 447 149 149 PHE H H 7.6933 . 1 448 149 149 PHE C C 174.9865 . 1 449 149 149 PHE CA C 54.0476 . 1 450 149 149 PHE CB C 41.2047 . 1 451 149 149 PHE N N 113.8322 . 1 452 151 151 PRO C C 174.3605 . 1 453 151 151 PRO CA C 62.0895 . 1 454 151 151 PRO CB C 33.1369 . 1 455 152 152 ASP H H 8.9619 . 1 456 152 152 ASP C C 175.6842 . 1 457 152 152 ASP CA C 53.3231 . 1 458 152 152 ASP N N 116.8312 . 1 459 153 153 HIS H H 7.2885 . 1 460 153 153 HIS C C 172.9023 . 1 461 153 153 HIS CA C 51.9624 . 1 462 153 153 HIS N N 123.5035 . 1 463 154 154 VAL H H 6.9291 . 1 464 154 154 VAL C C 175.1010 . 1 465 154 154 VAL CA C 57.1140 . 1 466 154 154 VAL CB C 35.5529 . 1 467 154 154 VAL N N 110.9342 . 1 468 155 155 GLU H H 8.3438 . 1 469 155 155 GLU C C 174.8759 . 1 470 155 155 GLU CA C 54.9189 . 1 471 155 155 GLU CB C 32.5954 . 1 472 155 155 GLU N N 118.6206 . 1 473 156 156 LEU H H 9.2757 . 1 474 156 156 LEU C C 175.8797 . 1 475 156 156 LEU CA C 54.7102 . 1 476 156 156 LEU CB C 44.0104 . 1 477 156 156 LEU N N 132.6001 . 1 478 157 157 SER H H 9.7269 . 1 479 157 157 SER C C 171.8559 . 1 480 157 157 SER CA C 56.6942 . 1 481 157 157 SER CB C 66.1249 . 1 482 157 157 SER N N 122.2268 . 1 483 158 158 TRP H H 8.9869 . 1 484 158 158 TRP C C 175.5404 . 1 485 158 158 TRP CA C 56.0873 . 1 486 158 158 TRP CB C 31.9267 . 1 487 158 158 TRP N N 121.2389 . 1 488 159 159 TRP H H 9.5257 . 1 489 159 159 TRP C C 176.8533 . 1 490 159 159 TRP CA C 55.0336 . 1 491 159 159 TRP CB C 29.7692 . 1 492 159 159 TRP N N 121.3589 . 1 493 160 160 VAL H H 9.2438 . 1 494 160 160 VAL C C 176.4347 . 1 495 160 160 VAL CA C 59.8964 . 1 496 160 160 VAL CB C 32.5819 . 1 497 160 160 VAL N N 126.8454 . 1 498 161 161 ASN H H 9.5798 . 1 499 161 161 ASN C C 175.9473 . 1 500 161 161 ASN CA C 54.3488 . 1 501 161 161 ASN N N 128.8657 . 1 502 162 162 GLY H H 8.9396 . 1 503 162 162 GLY CA C 45.3190 . 1 504 162 162 GLY N N 102.5566 . 1 505 163 163 LYS H H 7.8027 . 1 506 163 163 LYS C C 174.3242 . 1 507 163 163 LYS CA C 54.0155 . 1 508 163 163 LYS CB C 34.1452 . 1 509 163 163 LYS N N 121.0606 . 1 510 164 164 GLU H H 7.9560 . 1 511 164 164 GLU C C 176.6757 . 1 512 164 164 GLU CA C 56.0349 . 1 513 164 164 GLU CB C 28.0172 . 1 514 164 164 GLU N N 128.1252 . 1 515 165 165 VAL H H 8.0654 . 1 516 165 165 VAL C C 174.2627 . 1 517 165 165 VAL CA C 60.6021 . 1 518 165 165 VAL CB C 33.6609 . 1 519 165 165 VAL N N 123.7163 . 1 520 167 167 SER C C 174.3207 . 1 521 167 167 SER CA C 57.6254 . 1 522 167 167 SER CB C 63.3908 . 1 523 168 168 GLY H H 8.3537 . 1 524 168 168 GLY C C 171.0977 . 1 525 168 168 GLY CA C 46.1379 . 1 526 168 168 GLY N N 112.9993 . 1 527 169 169 VAL H H 7.0553 . 1 528 169 169 VAL C C 178.6971 . 1 529 169 169 VAL CA C 58.5677 . 1 530 169 169 VAL CB C 35.0316 . 1 531 169 169 VAL N N 114.5652 . 1 532 170 170 CYS H H 7.9452 . 1 533 170 170 CYS CA C 58.6355 . 1 534 170 170 CYS CB C 42.6887 . 1 535 170 170 CYS N N 125.6847 . 1 536 175 175 PRO C C 175.6264 . 1 537 175 175 PRO CA C 62.4010 . 1 538 175 175 PRO CB C 32.2288 . 1 539 176 176 LEU H H 9.2452 . 1 540 176 176 LEU C C 176.9716 . 1 541 176 176 LEU CA C 53.3377 . 1 542 176 176 LEU CB C 43.4386 . 1 543 176 176 LEU N N 123.5218 . 1 544 177 177 LYS H H 8.5165 . 1 545 177 177 LYS C C 176.2722 . 1 546 177 177 LYS CA C 56.2157 . 1 547 177 177 LYS N N 121.3017 . 1 548 178 178 GLU H H 8.2355 . 1 549 178 178 GLU C C 177.8062 . 1 550 178 178 GLU CA C 58.3257 . 1 551 178 178 GLU N N 122.8192 . 1 552 179 179 GLN H H 8.5221 . 1 553 179 179 GLN C C 173.7331 . 1 554 179 179 GLN CA C 52.6625 . 1 555 179 179 GLN CB C 29.0816 . 1 556 179 179 GLN N N 118.1068 . 1 557 180 180 PRO C C 176.8672 . 1 558 180 180 PRO CA C 64.4248 . 1 559 181 181 ALA H H 8.2654 . 1 560 181 181 ALA C C 177.8088 . 1 561 181 181 ALA CA C 52.3926 . 1 562 181 181 ALA CB C 18.3201 . 1 563 181 181 ALA N N 118.7383 . 1 564 182 182 LEU H H 7.9651 . 1 565 182 182 LEU C C 178.2506 . 1 566 182 182 LEU CA C 53.4847 . 1 567 182 182 LEU CB C 41.9362 . 1 568 182 182 LEU N N 119.3368 . 1 569 183 183 ASN C C 175.5915 . 1 570 184 184 ASP H H 8.1004 . 1 571 184 184 ASP C C 173.8593 . 1 572 184 184 ASP CA C 52.0491 . 1 573 184 184 ASP CB C 38.4659 . 1 574 184 184 ASP N N 117.7246 . 1 575 185 185 SER H H 6.5838 . 1 576 185 185 SER C C 174.6257 . 1 577 185 185 SER CA C 57.4522 . 1 578 185 185 SER CB C 63.0552 . 1 579 185 185 SER N N 110.7511 . 1 580 186 186 ARG H H 8.2538 . 1 581 186 186 ARG C C 175.8381 . 1 582 186 186 ARG CA C 56.1905 . 1 583 186 186 ARG CB C 29.9640 . 1 584 186 186 ARG N N 123.4408 . 1 585 187 187 TYR H H 9.0786 . 1 586 187 187 TYR C C 172.8256 . 1 587 187 187 TYR CA C 57.3816 . 1 588 187 187 TYR CB C 42.5799 . 1 589 187 187 TYR N N 121.2920 . 1 590 188 188 ALA H H 8.6259 . 1 591 188 188 ALA C C 176.1254 . 1 592 188 188 ALA CA C 50.0563 . 1 593 188 188 ALA CB C 23.7162 . 1 594 188 188 ALA N N 116.5750 . 1 595 189 189 LEU H H 9.4576 . 1 596 189 189 LEU C C 172.8449 . 1 597 189 189 LEU CA C 54.7200 . 1 598 189 189 LEU CB C 47.9137 . 1 599 189 189 LEU N N 121.0549 . 1 600 190 190 SER H H 9.2871 . 1 601 190 190 SER C C 172.8247 . 1 602 190 190 SER CA C 56.1181 . 1 603 190 190 SER CB C 69.1084 . 1 604 190 190 SER N N 122.7954 . 1 605 191 191 SER H H 8.8641 . 1 606 191 191 SER CA C 56.1476 . 1 607 191 191 SER CB C 64.8058 . 1 608 191 191 SER N N 111.9406 . 1 609 192 192 ARG C C 172.9304 . 1 610 192 192 ARG CA C 54.1788 . 1 611 192 192 ARG CB C 30.8726 . 1 612 193 193 LEU H H 7.9186 . 1 613 193 193 LEU C C 172.8086 . 1 614 193 193 LEU CA C 52.8636 . 1 615 193 193 LEU CB C 40.8189 . 1 616 193 193 LEU N N 123.0212 . 1 617 194 194 ARG H H 8.8964 . 1 618 194 194 ARG C C 174.3255 . 1 619 194 194 ARG CA C 54.1399 . 1 620 194 194 ARG N N 129.5974 . 1 621 195 195 VAL H H 8.5754 . 1 622 195 195 VAL C C 175.4888 . 1 623 195 195 VAL CA C 57.6816 . 1 624 195 195 VAL CB C 35.3987 . 1 625 195 195 VAL N N 116.6496 . 1 626 196 196 SER H H 8.5475 . 1 627 196 196 SER C C 175.8932 . 1 628 196 196 SER CA C 58.7519 . 1 629 196 196 SER CB C 63.2267 . 1 630 196 196 SER N N 115.5718 . 1 631 197 197 ALA H H 8.4266 . 1 632 197 197 ALA C C 178.7410 . 1 633 197 197 ALA CA C 55.6662 . 1 634 197 197 ALA CB C 17.9105 . 1 635 197 197 ALA N N 126.6009 . 1 636 198 198 THR H H 7.8592 . 1 637 198 198 THR C C 175.6248 . 1 638 198 198 THR CA C 64.3590 . 1 639 198 198 THR CB C 68.3461 . 1 640 198 198 THR N N 107.7034 . 1 641 199 199 PHE H H 7.6945 . 1 642 199 199 PHE C C 177.6575 . 1 643 199 199 PHE CA C 60.9776 . 1 644 199 199 PHE CB C 40.3966 . 1 645 199 199 PHE N N 124.1466 . 1 646 200 200 TRP H H 7.4860 . 1 647 200 200 TRP C C 174.6723 . 1 648 200 200 TRP CA C 58.6998 . 1 649 200 200 TRP CB C 29.5944 . 1 650 200 200 TRP N N 118.3824 . 1 651 201 201 GLN H H 7.5813 . 1 652 201 201 GLN C C 175.3199 . 1 653 201 201 GLN CA C 54.3763 . 1 654 201 201 GLN CB C 26.4818 . 1 655 201 201 GLN N N 113.5262 . 1 656 202 202 ASN H H 7.0697 . 1 657 202 202 ASN C C 174.2367 . 1 658 202 202 ASN CA C 49.2302 . 1 659 202 202 ASN CB C 38.7221 . 1 660 202 202 ASN N N 118.4424 . 1 661 203 203 PRO C C 176.6325 . 1 662 203 203 PRO CA C 62.8601 . 1 663 203 203 PRO CB C 31.3594 . 1 664 204 204 ARG H H 7.6868 . 1 665 204 204 ARG C C 176.8389 . 1 666 204 204 ARG CA C 55.6488 . 1 667 204 204 ARG N N 115.6427 . 1 668 205 205 ASN H H 7.5925 . 1 669 205 205 ASN C C 172.1876 . 1 670 205 205 ASN CA C 52.2207 . 1 671 205 205 ASN N N 118.1223 . 1 672 206 206 HIS H H 8.2685 . 1 673 206 206 HIS C C 173.2291 . 1 674 206 206 HIS CA C 54.9943 . 1 675 206 206 HIS N N 123.2215 . 1 676 207 207 PHE H H 8.5020 . 1 677 207 207 PHE C C 173.7259 . 1 678 207 207 PHE CA C 56.0679 . 1 679 207 207 PHE CB C 41.0674 . 1 680 207 207 PHE N N 124.9487 . 1 681 208 208 ARG H H 9.3044 . 1 682 208 208 ARG C C 173.6805 . 1 683 208 208 ARG CA C 54.2445 . 1 684 208 208 ARG CB C 34.2137 . 1 685 208 208 ARG N N 122.5221 . 1 686 209 209 CYS H H 8.8166 . 1 687 209 209 CYS C C 171.8401 . 1 688 209 209 CYS CA C 52.2260 . 1 689 209 209 CYS N N 127.5306 . 1 690 210 210 GLN H H 9.2790 . 1 691 210 210 GLN C C 173.5486 . 1 692 210 210 GLN CA C 53.9229 . 1 693 210 210 GLN N N 127.1200 . 1 694 211 211 VAL H H 9.0003 . 1 695 211 211 VAL C C 174.6908 . 1 696 211 211 VAL CA C 60.4357 . 1 697 211 211 VAL CB C 31.9326 . 1 698 211 211 VAL N N 125.4735 . 1 699 212 212 GLN H H 8.7964 . 1 700 212 212 GLN C C 173.1525 . 1 701 212 212 GLN CB C 28.7968 . 1 702 212 212 GLN N N 127.8278 . 1 703 213 213 PHE H H 9.0155 . 1 704 213 213 PHE C C 173.4168 . 1 705 213 213 PHE CA C 55.4049 . 1 706 213 213 PHE CB C 41.1393 . 1 707 213 213 PHE N N 129.2798 . 1 708 214 214 TYR H H 7.4791 . 1 709 214 214 TYR C C 174.0976 . 1 710 214 214 TYR CA C 57.3608 . 1 711 214 214 TYR CB C 37.3041 . 1 712 214 214 TYR N N 128.7524 . 1 713 215 215 GLY H H 8.1567 . 1 714 215 215 GLY C C 173.6290 . 1 715 215 215 GLY CA C 43.3304 . 1 716 215 215 GLY N N 111.8807 . 1 717 216 216 LEU H H 8.3690 . 1 718 216 216 LEU CA C 55.0259 . 1 719 216 216 LEU CB C 41.4889 . 1 720 216 216 LEU N N 126.2037 . 1 721 217 217 SER H H 9.3081 . 1 722 217 217 SER C C 176.6045 . 1 723 217 217 SER CA C 56.7925 . 1 724 217 217 SER CB C 65.0164 . 1 725 217 217 SER N N 115.7937 . 1 726 218 218 GLU H H 8.0709 . 1 727 218 218 GLU C C 175.4419 . 1 728 218 218 GLU N N 121.5003 . 1 729 219 219 ASN H H 8.2901 . 1 730 219 219 ASN N N 124.0013 . 1 731 222 222 TRP C C 173.9175 . 1 732 222 222 TRP CA C 56.0757 . 1 733 223 223 THR H H 7.9431 . 1 734 223 223 THR CA C 61.0186 . 1 735 223 223 THR CB C 63.9169 . 1 736 223 223 THR N N 120.4662 . 1 737 224 224 GLN H H 9.5854 . 1 738 224 224 GLN C C 177.0733 . 1 739 224 224 GLN CA C 53.6256 . 1 740 224 224 GLN CB C 32.2658 . 1 741 224 224 GLN N N 124.1087 . 1 742 225 225 ASP H H 9.0247 . 1 743 225 225 ASP C C 181.1938 . 1 744 225 225 ASP N N 125.2010 . 1 745 226 226 ARG H H 8.8117 . 1 746 226 226 ARG CA C 54.4118 . 1 747 226 226 ARG N N 127.7336 . 1 748 229 229 PRO C C 174.5728 . 1 749 229 229 PRO CA C 61.4858 . 1 750 229 229 PRO CB C 27.3791 . 1 751 230 230 VAL H H 7.5968 . 1 752 230 230 VAL C C 176.1793 . 1 753 230 230 VAL CA C 60.0285 . 1 754 230 230 VAL CB C 32.5317 . 1 755 230 230 VAL N N 117.5092 . 1 756 231 231 THR H H 7.6835 . 1 757 231 231 THR C C 174.5372 . 1 758 231 231 THR CA C 63.3625 . 1 759 231 231 THR CB C 69.4090 . 1 760 231 231 THR N N 119.0759 . 1 761 232 232 GLN H H 8.7490 . 1 762 232 232 GLN C C 172.3215 . 1 763 232 232 GLN CA C 54.6387 . 1 764 232 232 GLN CB C 31.5900 . 1 765 232 232 GLN N N 121.9475 . 1 766 233 233 ILE H H 8.4168 . 1 767 233 233 ILE C C 175.8545 . 1 768 233 233 ILE CA C 59.7966 . 1 769 233 233 ILE CB C 38.5092 . 1 770 233 233 ILE N N 121.2608 . 1 771 234 234 VAL H H 8.8156 . 1 772 234 234 VAL C C 174.6252 . 1 773 234 234 VAL CA C 60.9085 . 1 774 234 234 VAL CB C 33.2317 . 1 775 234 234 VAL N N 129.4707 . 1 776 235 235 SER H H 8.5278 . 1 777 235 235 SER C C 172.6201 . 1 778 235 235 SER CA C 56.4623 . 1 779 235 235 SER CB C 66.7074 . 1 780 235 235 SER N N 120.0625 . 1 781 236 236 ALA H H 8.4833 . 1 782 236 236 ALA C C 175.1603 . 1 783 236 236 ALA CA C 51.3348 . 1 784 236 236 ALA CB C 22.1961 . 1 785 236 236 ALA N N 122.6046 . 1 786 237 237 GLU H H 8.5133 . 1 787 237 237 GLU C C 174.0863 . 1 788 237 237 GLU CA C 53.9115 . 1 789 237 237 GLU CB C 33.5362 . 1 790 237 237 GLU N N 117.3543 . 1 791 238 238 ALA H H 9.1455 . 1 792 238 238 ALA C C 174.7992 . 1 793 238 238 ALA CA C 51.4327 . 1 794 238 238 ALA CB C 21.9816 . 1 795 238 238 ALA N N 122.1130 . 1 796 239 239 TRP H H 8.5474 . 1 797 239 239 TRP C C 175.7643 . 1 798 239 239 TRP CA C 56.4002 . 1 799 239 239 TRP CB C 31.6337 . 1 800 239 239 TRP N N 122.0834 . 1 801 240 240 GLY H H 8.5127 . 1 802 240 240 GLY C C 172.3603 . 1 803 240 240 GLY CA C 45.2143 . 1 804 240 240 GLY N N 105.3413 . 1 805 241 241 ARG C C 174.5610 . 1 806 241 241 ARG CA C 54.6846 . 1 807 241 241 ARG CB C 32.2154 . 1 808 242 242 ALA H H 8.3914 . 1 809 242 242 ALA C C 176.3586 . 1 810 242 242 ALA CA C 51.5847 . 1 811 242 242 ALA CB C 19.0180 . 1 812 242 242 ALA N N 126.2980 . 1 813 243 243 ASP H H 7.7952 . 1 814 243 243 ASP C C 180.7289 . 1 815 243 243 ASP CA C 55.1538 . 1 816 243 243 ASP CB C 41.8131 . 1 817 243 243 ASP N N 124.6672 . 1 stop_ save_