data_27575 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for transthyetin in 5% DMSO ; _BMRB_accession_number 27575 _BMRB_flat_file_name bmr27575.str _Entry_type original _Submission_date 2018-08-13 _Accession_date 2018-08-13 _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 Yu Tsyr-Yan . . 2 Yen Yueh-Jung . . 3 Chang Yu . . 4 Huang Shing-Jong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 116 "13C chemical shifts" 125 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-01 update BMRB 'update entry citation' 2018-09-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27576 'A97S TTR in 5% DMSO' stop_ _Original_release_date 2018-08-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biophysical characterization and modulation of Transthyretin Ala97Ser ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31502419 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Yo-Tsen T. . 2 Yen Yueh-Jung J. . 3 Ricardo Frans . . 4 Chang Yu . . 5 Wu Pei-Hao H. . 6 Huang Shing-Jong J. . 7 Lin Kon-Ping P. . 8 Yu Tsyr-Yan Y. . stop_ _Journal_abbreviation 'Ann. Clin. Transl. Neurol.' _Journal_name_full 'Annals of clinical and translational neurology' _Journal_volume 6 _Journal_issue 10 _Journal_ISSN 2328-9503 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1961 _Page_last 1970 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name wtTTR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label wtTTR $wtTTR 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_wtTTR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common wtTTR _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GPTGTGESKCPLMVKVLDAV RGSPAINVAVHVFRKAADDT WEPFASGKTSESGELHGLTT EEEFVEGIYKVEIDTKSYWK ALGISPFHEHAEVVFTANDS GPRRYTIAALLSPYSYSTTA VVTNPKE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 THR 4 GLY 5 THR 6 GLY 7 GLU 8 SER 9 LYS 10 CYS 11 PRO 12 LEU 13 MET 14 VAL 15 LYS 16 VAL 17 LEU 18 ASP 19 ALA 20 VAL 21 ARG 22 GLY 23 SER 24 PRO 25 ALA 26 ILE 27 ASN 28 VAL 29 ALA 30 VAL 31 HIS 32 VAL 33 PHE 34 ARG 35 LYS 36 ALA 37 ALA 38 ASP 39 ASP 40 THR 41 TRP 42 GLU 43 PRO 44 PHE 45 ALA 46 SER 47 GLY 48 LYS 49 THR 50 SER 51 GLU 52 SER 53 GLY 54 GLU 55 LEU 56 HIS 57 GLY 58 LEU 59 THR 60 THR 61 GLU 62 GLU 63 GLU 64 PHE 65 VAL 66 GLU 67 GLY 68 ILE 69 TYR 70 LYS 71 VAL 72 GLU 73 ILE 74 ASP 75 THR 76 LYS 77 SER 78 TYR 79 TRP 80 LYS 81 ALA 82 LEU 83 GLY 84 ILE 85 SER 86 PRO 87 PHE 88 HIS 89 GLU 90 HIS 91 ALA 92 GLU 93 VAL 94 VAL 95 PHE 96 THR 97 ALA 98 ASN 99 ASP 100 SER 101 GLY 102 PRO 103 ARG 104 ARG 105 TYR 106 THR 107 ILE 108 ALA 109 ALA 110 LEU 111 LEU 112 SER 113 PRO 114 TYR 115 SER 116 TYR 117 SER 118 THR 119 THR 120 ALA 121 VAL 122 VAL 123 THR 124 ASN 125 PRO 126 LYS 127 GLU 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 $wtTTR Human 9606 Eukaryota Metazoa Homo sapiens 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 $wtTTR 'recombinant technology' . Escherichia coli . pET21b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.6-0.9 mM wtTTR in a buffer containing 25 mM NaPi, 100 mM NaCl, 0.5 mM EDTA, 1 mM TCEP, 5% DMSO at pH 6.5.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $wtTTR 0.75 mM 0.6 0.9 '[U-13C; U-15N; U-2H]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' EDTA 0.5 mM . . 'natural abundance' TCEP 1 mM . . 'natural abundance' DMSO 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 25 . mM pH 6.5 . pH pressure 1 . atm temperature 300 . 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 carbons' ppm 0 internal direct . . . 1 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 '[15N] ammonium chloride' N 15 nitrogen ppm 0 internal direct . . . 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' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '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 wtTTR _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO CA C 62.896 . . 2 3 3 THR H H 8.188 . . 3 3 3 THR CA C 61.729 . . 4 3 3 THR N N 114.124 . . 5 4 4 GLY H H 8.285 . . 6 4 4 GLY CA C 45.062 . . 7 4 4 GLY N N 111.217 . . 8 5 5 THR H H 8.006 . . 9 5 5 THR CA C 61.619 . . 10 5 5 THR N N 113.163 . . 11 6 6 GLY H H 8.31 . . 12 6 6 GLY CA C 45.112 . . 13 6 6 GLY N N 111.114 . . 14 7 7 GLU H H 8.091 . . 15 7 7 GLU CA C 56.176 . . 16 7 7 GLU N N 120.79 . . 17 8 8 SER H H 8.201 . . 18 8 8 SER CA C 58.132 . . 19 8 8 SER N N 117.003 . . 20 9 9 LYS H H 8.292 . . 21 9 9 LYS CA C 55.31 . . 22 9 9 LYS N N 123.207 . . 23 10 10 CYS H H 8.12 . . 24 10 10 CYS CA C 55.31 . . 25 10 10 CYS N N 122.08 . . 26 11 11 PRO CA C 63.99 . . 27 12 12 LEU H H 6.88 . . 28 12 12 LEU CA C 53.523 . . 29 12 12 LEU N N 120.491 . . 30 13 13 MET H H 8.626 . . 31 13 13 MET CA C 54.289 . . 32 13 13 MET N N 126.676 . . 33 14 14 VAL H H 7.418 . . 34 14 14 VAL CA C 59.818 . . 35 14 14 VAL N N 122.481 . . 36 15 15 LYS H H 8.705 . . 37 15 15 LYS CA C 54.252 . . 38 15 15 LYS N N 127.165 . . 39 16 16 VAL H H 8.98 . . 40 16 16 VAL CA C 60.539 . . 41 16 16 VAL N N 124.266 . . 42 17 17 LEU H H 8.482 . . 43 17 17 LEU CA C 53.486 . . 44 17 17 LEU N N 126.531 . . 45 18 18 ASP H H 8.607 . . 46 18 18 ASP CA C 52.966 . . 47 18 18 ASP N N 121.864 . . 48 19 19 ALA H H 8.983 . . 49 19 19 ALA CA C 53.314 . . 50 19 19 ALA N N 127.734 . . 51 20 20 VAL H H 9.624 . . 52 20 20 VAL CA C 65.148 . . 53 20 20 VAL N N 120.722 . . 54 21 21 ARG H H 8.236 . . 55 21 21 ARG CA C 55.063 . . 56 21 21 ARG N N 116.689 . . 57 22 22 GLY H H 7.372 . . 58 22 22 GLY CA C 46.958 . . 59 22 22 GLY N N 109.526 . . 60 23 23 SER H H 7.346 . . 61 23 23 SER CA C 54.872 . . 62 23 23 SER N N 111.408 . . 63 24 24 PRO CA C 62.567 . . 64 25 25 ALA H H 8.007 . . 65 25 25 ALA CA C 50.35 . . 66 25 25 ALA N N 127.483 . . 67 26 26 ILE H H 7.778 . . 68 26 26 ILE CA C 61.473 . . 69 26 26 ILE N N 127.192 . . 70 27 27 ASN H H 7.724 . . 71 27 27 ASN CA C 54.106 . . 72 27 27 ASN N N 122.345 . . 73 28 28 VAL H H 8.295 . . 74 28 28 VAL CA C 61.303 . . 75 28 28 VAL N N 120.195 . . 76 29 29 ALA H H 9.054 . . 77 29 29 ALA CA C 52.392 . . 78 29 29 ALA N N 130.815 . . 79 30 30 VAL H H 8.312 . . 80 30 30 VAL CA C 60.27 . . 81 30 30 VAL N N 122.473 . . 82 31 31 HIS H H 8.928 . . 83 31 31 HIS CA C 54.69 . . 84 31 31 HIS N N 124.476 . . 85 32 32 VAL H H 9.143 . . 86 32 32 VAL CA C 59.686 . . 87 32 32 VAL N N 121.944 . . 88 33 33 PHE H H 9.854 . . 89 33 33 PHE CA C 55.93 . . 90 33 33 PHE N N 128.333 . . 91 34 34 ARG H H 9.429 . . 92 34 34 ARG CA C 53.924 . . 93 34 34 ARG N N 122.67 . . 94 35 35 LYS H H 8.533 . . 95 35 35 LYS CA C 56.987 . . 96 35 35 LYS N N 130.207 . . 97 36 36 ALA H H 8.729 . . 98 36 36 ALA CA C 50.678 . . 99 36 36 ALA N N 131.41 . . 100 37 37 ALA H H 8.292 . . 101 37 37 ALA CA C 53.815 . . 102 37 37 ALA N N 122.199 . . 103 38 38 ASP H H 7.645 . . 104 38 38 ASP CA C 52.935 . . 105 38 38 ASP N N 115.849 . . 106 39 39 ASP H H 7.849 . . 107 39 39 ASP CA C 55.839 . . 108 39 39 ASP N N 113.249 . . 109 40 40 THR H H 7.187 . . 110 40 40 THR CA C 61.182 . . 111 40 40 THR N N 110.802 . . 112 41 41 TRP H H 8.306 . . 113 41 41 TRP CA C 55.299 . . 114 41 41 TRP N N 120.261 . . 115 42 42 GLU H H 9.204 . . 116 42 42 GLU CA C 52.888 . . 117 42 42 GLU N N 126.597 . . 118 43 43 PRO CA C 64.464 . . 119 44 44 PHE H H 8.76 . . 120 44 44 PHE CA C 58.883 . . 121 44 44 PHE N N 125.172 . . 122 45 45 ALA H H 7.843 . . 123 45 45 ALA CA C 52.084 . . 124 45 45 ALA N N 118.856 . . 125 46 46 SER H H 8.433 . . 126 46 46 SER CA C 57.457 . . 127 46 46 SER N N 113.496 . . 128 47 47 GLY H H 8.356 . . 129 47 47 GLY CA C 45.416 . . 130 47 47 GLY N N 106.872 . . 131 48 48 LYS H H 8.358 . . 132 48 48 LYS CA C 53.45 . . 133 48 48 LYS N N 120.116 . . 134 49 49 THR H H 8.599 . . 135 49 49 THR CA C 61.876 . . 136 49 49 THR N N 111.852 . . 137 50 50 SER H H 8.459 . . 138 50 50 SER CA C 56.878 . . 139 50 50 SER N N 118.235 . . 140 51 51 GLU H H 9.016 . . 141 51 51 GLU CA C 58.811 . . 142 51 51 GLU N N 118.692 . . 143 52 52 SER H H 8.025 . . 144 52 52 SER CA C 57.279 . . 145 52 52 SER N N 111.694 . . 146 53 53 GLY H H 8.476 . . 147 53 53 GLY CA C 45.244 . . 148 53 53 GLY N N 112.33 . . 149 54 54 GLU H H 7.097 . . 150 54 54 GLU CA C 54.143 . . 151 54 54 GLU N N 115.918 . . 152 55 55 LEU H H 8.5 . . 153 55 55 LEU CA C 53.742 . . 154 55 55 LEU N N 123.532 . . 155 56 56 HIS H H 8.691 . . 156 56 56 HIS CA C 53.844 . . 157 56 56 HIS N N 123.971 . . 158 57 57 GLY H H 9.005 . . 159 57 57 GLY CA C 46.271 . . 160 57 57 GLY N N 109.225 . . 161 58 58 LEU H H 8.211 . . 162 58 58 LEU CA C 57.024 . . 163 58 58 LEU N N 119.825 . . 164 59 59 THR H H 7.168 . . 165 59 59 THR CA C 59.212 . . 166 59 59 THR N N 107.67 . . 167 60 60 THR H H 8.385 . . 168 60 60 THR CA C 59.322 . . 169 60 60 THR N N 112.163 . . 170 61 61 GLU H H 8.945 . . 171 61 61 GLU CA C 59.616 . . 172 61 61 GLU N N 120.964 . . 173 62 62 GLU H H 8.565 . . 174 62 62 GLU CA C 58.775 . . 175 62 62 GLU N N 116.265 . . 176 63 63 GLU H H 7.211 . . 177 63 63 GLU CA C 56.732 . . 178 63 63 GLU N N 115.583 . . 179 64 64 PHE H H 7.74 . . 180 64 64 PHE CA C 54.872 . . 181 64 64 PHE N N 123.78 . . 182 65 65 VAL H H 7.025 . . 183 65 65 VAL CA C 59.832 . . 184 65 65 VAL N N 115.496 . . 185 66 66 GLU H H 8.503 . . 186 66 66 GLU CA C 56.586 . . 187 66 66 GLU N N 121.848 . . 188 67 67 GLY H H 7.819 . . 189 67 67 GLY CA C 44.376 . . 190 67 67 GLY N N 110.958 . . 191 68 68 ILE H H 8.24 . . 192 68 68 ILE CA C 60.574 . . 193 68 68 ILE N N 120.765 . . 194 69 69 TYR H H 8.564 . . 195 69 69 TYR CA C 56.149 . . 196 69 69 TYR N N 125.001 . . 197 70 70 LYS H H 8.608 . . 198 70 70 LYS CA C 53.304 . . 199 70 70 LYS N N 118.755 . . 200 71 71 VAL H H 9.557 . . 201 71 71 VAL CA C 60.78 . . 202 71 71 VAL N N 127.593 . . 203 72 72 GLU H H 9.661 . . 204 72 72 GLU CA C 54.909 . . 205 72 72 GLU N N 128.525 . . 206 73 73 ILE H H 9.11 . . 207 73 73 ILE CA C 60.014 . . 208 73 73 ILE N N 126.094 . . 209 74 74 ASP H H 8.839 . . 210 74 74 ASP CA C 53.073 . . 211 74 74 ASP N N 128.316 . . 212 75 75 THR H H 8.158 . . 213 75 75 THR CA C 64.237 . . 214 75 75 THR N N 117.522 . . 215 76 76 LYS H H 7.553 . . 216 76 76 LYS CA C 60.051 . . 217 76 76 LYS N N 124.736 . . 218 77 77 SER H H 8.097 . . 219 77 77 SER CA C 61.473 . . 220 77 77 SER N N 113.169 . . 221 78 78 TYR H H 6.692 . . 222 78 78 TYR CA C 60.882 . . 223 78 78 TYR N N 121.311 . . 224 79 79 TRP H H 7.731 . . 225 79 79 TRP CA C 59.009 . . 226 79 79 TRP N N 117.443 . . 227 80 80 LYS H H 8.678 . . 228 80 80 LYS CA C 59.313 . . 229 80 80 LYS N N 118.582 . . 230 81 81 ALA H H 7.474 . . 231 81 81 ALA CA C 54.152 . . 232 81 81 ALA N N 122.259 . . 233 82 82 LEU H H 7.21 . . 234 82 82 LEU CA C 54.152 . . 235 82 82 LEU N N 117.592 . . 236 83 83 GLY H H 7.876 . . 237 83 83 GLY CA C 45.281 . . 238 83 83 GLY N N 107.579 . . 239 84 84 ILE H H 7.87 . . 240 84 84 ILE CA C 59.394 . . 241 84 84 ILE N N 122.985 . . 242 85 85 SER H H 8.36 . . 243 85 85 SER CA C 54.58 . . 244 85 85 SER N N 121.977 . . 245 86 86 PRO CA C 61.159 . . 246 87 87 PHE H H 7.254 . . 247 87 87 PHE CA C 60.045 . . 248 87 87 PHE N N 116.053 . . 249 88 88 HIS H H 7.634 . . 250 88 88 HIS CA C 57.848 . . 251 88 88 HIS N N 113.515 . . 252 89 89 GLU CA C 53.275 . . 253 90 90 HIS H H 8.059 . . 254 90 90 HIS CA C 54.422 . . 255 90 90 HIS N N 117.388 . . 256 91 91 ALA H H 8.368 . . 257 91 91 ALA CA C 51.521 . . 258 91 91 ALA N N 120.005 . . 259 92 92 GLU H H 8.232 . . 260 92 92 GLU CA C 54.106 . . 261 92 92 GLU N N 121.533 . . 262 93 93 VAL H H 8.809 . . 263 93 93 VAL CA C 61.269 . . 264 93 93 VAL N N 121.863 . . 265 94 94 VAL H H 9.147 . . 266 94 94 VAL CA C 60.878 . . 267 94 94 VAL N N 128.157 . . 268 95 95 PHE H H 8.936 . . 269 95 95 PHE CA C 55.748 . . 270 95 95 PHE N N 124.675 . . 271 96 96 THR H H 8.585 . . 272 96 96 THR CA C 62.618 . . 273 96 96 THR N N 118.35 . . 274 97 97 ALA H H 9.068 . . 275 97 97 ALA CA C 49.766 . . 276 97 97 ALA N N 129.599 . . 277 98 98 ASN H H 8.569 . . 278 98 98 ASN CA C 53.96 . . 279 98 98 ASN N N 113.241 . . 280 99 99 ASP H H 8.813 . . 281 99 99 ASP CA C 55.091 . . 282 99 99 ASP N N 117.835 . . 283 100 100 SER H H 8.718 . . 284 100 100 SER CA C 57.024 . . 285 100 100 SER N N 117.216 . . 286 101 101 GLY H H 7.173 . . 287 101 101 GLY CA C 43.311 . . 288 101 101 GLY N N 110.205 . . 289 103 103 ARG H H 8.873 . . 290 103 103 ARG CA C 57.828 . . 291 103 103 ARG N N 121.321 . . 292 104 104 ARG H H 7.231 . . 293 104 104 ARG CA C 54.435 . . 294 104 104 ARG N N 106.758 . . 295 105 105 TYR H H 8.782 . . 296 105 105 TYR CA C 57.424 . . 297 105 105 TYR N N 121.517 . . 298 106 106 THR H H 8.769 . . 299 106 106 THR CA C 61.64 . . 300 106 106 THR N N 120.826 . . 301 107 107 ILE H H 8.784 . . 302 107 107 ILE CA C 58.3 . . 303 107 107 ILE N N 127.549 . . 304 108 108 ALA H H 8.729 . . 305 108 108 ALA CA C 49.001 . . 306 108 108 ALA N N 128.673 . . 307 109 109 ALA H H 9.015 . . 308 109 109 ALA CA C 50.022 . . 309 109 109 ALA N N 126.174 . . 310 110 110 LEU H H 8.725 . . 311 110 110 LEU CA C 53.632 . . 312 110 110 LEU N N 125.936 . . 313 111 111 LEU H H 9.011 . . 314 111 111 LEU CA C 55.273 . . 315 111 111 LEU N N 124.118 . . 316 112 112 SER H H 8.964 . . 317 112 112 SER CA C 57.863 . . 318 112 112 SER N N 117.014 . . 319 113 113 PRO CA C 66.543 . . 320 114 114 TYR H H 8.124 . . 321 114 114 TYR CA C 57.972 . . 322 114 114 TYR N N 114.135 . . 323 115 115 SER H H 7.378 . . 324 115 115 SER CA C 57.175 . . 325 115 115 SER N N 112.106 . . 326 116 116 TYR CA C 56.769 . . 327 117 117 SER H H 8.357 . . 328 117 117 SER CA C 55.091 . . 329 117 117 SER N N 114.13 . . 330 118 118 THR H H 8.816 . . 331 118 118 THR CA C 58.483 . . 332 118 118 THR N N 116.441 . . 333 119 119 THR H H 8.32 . . 334 119 119 THR CA C 60.999 . . 335 119 119 THR N N 122.543 . . 336 120 120 ALA H H 8.287 . . 337 120 120 ALA CA C 49.531 . . 338 120 120 ALA N N 129.01 . . 339 121 121 VAL H H 8.207 . . 340 121 121 VAL CA C 60.189 . . 341 121 121 VAL N N 119.611 . . 342 122 122 VAL H H 8.293 . . 343 122 122 VAL CA C 60.78 . . 344 122 122 VAL N N 128.937 . . 345 123 123 THR H H 8.62 . . 346 123 123 THR CA C 59.953 . . 347 123 123 THR N N 119.247 . . 348 124 124 ASN H H 8.591 . . 349 124 124 ASN CA C 50.241 . . 350 124 124 ASN N N 121.022 . . 351 125 125 PRO CA C 63.09 . . 352 126 126 LYS H H 7.953 . . 353 126 126 LYS CA C 55.805 . . 354 126 126 LYS N N 120.491 . . 355 127 127 GLU H H 7.588 . . 356 127 127 GLU CA C 57.644 . . 357 127 127 GLU N N 126.755 . . stop_ save_