data_27771 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,15N and 13C NMR assignments of the Solanum tuberosum Plant Specific Insert at pH 7.0 ; _BMRB_accession_number 27771 _BMRB_flat_file_name bmr27771.str _Entry_type original _Submission_date 2019-02-01 _Accession_date 2019-02-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The NMR assignments of the Solanum tuberosim plant specific insert at pH 7.0. The protein is monomeric. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tian Jingxin J. . 2 Yada Rickey Y. . 3 Wang Shenlin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 99 "13C chemical shifts" 287 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-09 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27772 'Solanum tuberosum Plant Specific Insert at pH 2.0' stop_ _Original_release_date 2019-02-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Insights into the mechanism of membrane fusion induced by the plant defense element, Plant Specific Insert ; _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao Xiaoli . . 2 Tian Jenny . . 3 Yu Hua . . 4 Bryksa Brian C. . 5 Dupuis John H. . 6 Ou Xiuyuan . . 7 Qian Zhaohui . . 8 Song Chen . . 9 Wang Shenlin . . 10 Yada Rickey Y. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PSI _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PSI $PSI 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_PSI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PSI _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GSAMAIVSMECKTIVSQYGE MIWDLLVSGVRPDQVCSQAG LCFVDGAQHVSSNIKTVVER ETEGSSVGEAPLCTACEMAV VWMQNQLKQEGTKEKVLEYV NQLCEKIP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 MET 5 ALA 6 ILE 7 VAL 8 SER 9 MET 10 GLU 11 CYS 12 LYS 13 THR 14 ILE 15 VAL 16 SER 17 GLN 18 TYR 19 GLY 20 GLU 21 MET 22 ILE 23 TRP 24 ASP 25 LEU 26 LEU 27 VAL 28 SER 29 GLY 30 VAL 31 ARG 32 PRO 33 ASP 34 GLN 35 VAL 36 CYS 37 SER 38 GLN 39 ALA 40 GLY 41 LEU 42 CYS 43 PHE 44 VAL 45 ASP 46 GLY 47 ALA 48 GLN 49 HIS 50 VAL 51 SER 52 SER 53 ASN 54 ILE 55 LYS 56 THR 57 VAL 58 VAL 59 GLU 60 ARG 61 GLU 62 THR 63 GLU 64 GLY 65 SER 66 SER 67 VAL 68 GLY 69 GLU 70 ALA 71 PRO 72 LEU 73 CYS 74 THR 75 ALA 76 CYS 77 GLU 78 MET 79 ALA 80 VAL 81 VAL 82 TRP 83 MET 84 GLN 85 ASN 86 GLN 87 LEU 88 LYS 89 GLN 90 GLU 91 GLY 92 THR 93 LYS 94 GLU 95 LYS 96 VAL 97 LEU 98 GLU 99 TYR 100 VAL 101 ASN 102 GLN 103 LEU 104 CYS 105 GLU 106 LYS 107 ILE 108 PRO 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 $PSI potato 4113 Eukaryota Viridiplantae Solanum tuberosum 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 $PSI 'recombinant technology' . Escherichia coli . Rosetta-gami 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 $PSI 0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . 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 500 _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.0 . 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 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '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 PSI _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 MET H H 8.227 0 . 2 4 4 MET C C 175.914 0 . 3 4 4 MET CA C 55.402 0 . 4 4 4 MET CB C 32.969 0 . 5 4 4 MET N N 118.993 0 . 6 5 5 ALA H H 8.147 0 . 7 5 5 ALA C C 177.648 0 . 8 5 5 ALA CA C 52.752 0 . 9 5 5 ALA CB C 19.089 0 . 10 5 5 ALA N N 124.733 0 . 11 6 6 ILE H H 7.926 0 . 12 6 6 ILE CA C 61.287 0 . 13 6 6 ILE CB C 38.735 0 . 14 6 6 ILE N N 119.16 0 . 15 8 8 SER H H 8.524 0 . 16 8 8 SER C C 176.421 0 . 17 8 8 SER CA C 61.152 0 . 18 8 8 SER CB C 63.293 0 . 19 8 8 SER N N 118.374 0 . 20 9 9 MET H H 8.306 0 . 21 9 9 MET C C 179.223 0 . 22 9 9 MET CA C 58.053 0 . 23 9 9 MET N N 120.583 0 . 24 10 10 GLU H H 7.405 0 . 25 10 10 GLU C C 177.568 0 . 26 10 10 GLU CA C 59.176 0 . 27 10 10 GLU CB C 29.446 0 . 28 10 10 GLU N N 119.211 0 . 29 11 11 CYS H H 8.037 0 . 30 11 11 CYS C C 175.727 0 . 31 11 11 CYS CA C 60.793 0 . 32 11 11 CYS CB C 34.091 0 . 33 11 11 CYS N N 118.965 0 . 34 12 12 LYS H H 8.268 0 . 35 12 12 LYS C C 179.836 0 . 36 12 12 LYS CA C 59.805 0 . 37 12 12 LYS CB C 31.806 0 . 38 12 12 LYS N N 117.805 0 . 39 13 13 THR H H 8.046 0 . 40 13 13 THR C C 175.956 0 . 41 13 13 THR CA C 66.948 0 . 42 13 13 THR CB C 68.418 0 . 43 13 13 THR N N 118.7 0 . 44 14 14 ILE H H 8.07 0 . 45 14 14 ILE C C 178.155 0 . 46 14 14 ILE CA C 62.674 0 . 47 14 14 ILE CB C 34.945 0 . 48 14 14 ILE N N 121.085 0 . 49 15 15 VAL H H 8.21 0 . 50 15 15 VAL C C 178.155 0 . 51 15 15 VAL CA C 67.372 0 . 52 15 15 VAL CB C 31.55 0 . 53 15 15 VAL N N 117.294 0 . 54 16 16 SER H H 8.277 0 . 55 16 16 SER C C 176.261 0 . 56 16 16 SER CA C 61.377 0 . 57 16 16 SER CB C 63.186 0 . 58 16 16 SER N N 114.341 0 . 59 17 17 GLN H H 8.348 0 . 60 17 17 GLN C C 177.382 0 . 61 17 17 GLN CA C 57.289 0 . 62 17 17 GLN CB C 29.446 0 . 63 17 17 GLN N N 118.34 0 . 64 18 18 TYR H H 7.876 0 . 65 18 18 TYR C C 176.234 0 . 66 18 18 TYR CA C 58.232 0 . 67 18 18 TYR CB C 39.91 0 . 68 18 18 TYR N N 114.358 0 . 69 19 19 GLY H H 7.667 0 . 70 19 19 GLY C C 174.527 0 . 71 19 19 GLY CA C 48.708 0 . 72 19 19 GLY N N 110.626 0 . 73 20 20 GLU H H 8.309 0 . 74 20 20 GLU C C 177.035 0 . 75 20 20 GLU CA C 60.479 0 . 76 20 20 GLU CB C 28.912 0 . 77 20 20 GLU N N 119.612 0 . 78 21 21 MET H H 7.767 0 . 79 21 21 MET C C 178.475 0 . 80 21 21 MET CA C 58.906 0 . 81 21 21 MET CB C 32.649 0 . 82 21 21 MET N N 119.093 0 . 83 22 22 ILE H H 8.445 0 . 84 22 22 ILE C C 177.035 0 . 85 22 22 ILE CA C 66.094 0 . 86 22 22 ILE CB C 38.094 0 . 87 22 22 ILE N N 118.993 0 . 88 23 23 TRP H H 8.274 0 . 89 23 23 TRP C C 176.688 0 . 90 23 23 TRP CA C 61.377 0 . 91 23 23 TRP CB C 28.698 0 . 92 23 23 TRP N N 120.081 0 . 93 24 24 ASP H H 8.583 0 . 94 24 24 ASP C C 180.423 0 . 95 24 24 ASP CA C 57.379 0 . 96 24 24 ASP CB C 40.016 0 . 97 24 24 ASP N N 117.019 0 . 98 25 25 LEU H H 8.213 0 . 99 25 25 LEU C C 179.569 0 . 100 25 25 LEU CA C 58.053 0 . 101 25 25 LEU CB C 41.992 0 . 102 25 25 LEU N N 120.852 0 . 103 26 26 LEU H H 8.211 0 . 104 26 26 LEU C C 181.944 0 . 105 26 26 LEU N N 121.536 0 . 106 27 27 VAL H H 8.707 0 . 107 27 27 VAL C C 177.782 0 . 108 27 27 VAL CA C 65.6 0 . 109 27 27 VAL CB C 31.047 0 . 110 27 27 VAL N N 119.579 0 . 111 28 28 SER H H 7.664 0 . 112 28 28 SER C C 174.447 0 . 113 28 28 SER CA C 59.58 0 . 114 28 28 SER CB C 63.507 0 . 115 28 28 SER N N 114.575 0 . 116 29 29 GLY H H 7.475 0 . 117 29 29 GLY C C 174.74 0 . 118 29 29 GLY CA C 44.98 0 . 119 29 29 GLY N N 107.631 0 . 120 30 30 VAL H H 7.366 0 . 121 30 30 VAL C C 175.674 0 . 122 30 30 VAL CA C 63.533 0 . 123 30 30 VAL CB C 30.834 0 . 124 30 30 VAL N N 122.825 0 . 125 31 31 ARG H H 8.419 0 . 126 31 31 ARG CA C 55.088 0 . 127 31 31 ARG CB C 30.485 0 . 128 31 31 ARG N N 129.052 0 . 129 32 32 PRO C C 177.168 0 . 130 32 32 PRO CA C 66.139 0 . 131 32 32 PRO CB C 31.955 0 . 132 33 33 ASP H H 8.109 0 . 133 33 33 ASP C C 176.474 0 . 134 33 33 ASP CA C 54.863 0 . 135 33 33 ASP CB C 39.376 0 . 136 33 33 ASP N N 111.43 0 . 137 34 34 GLN H H 8.206 0 . 138 34 34 GLN C C 176.314 0 . 139 34 34 GLN CA C 55.178 0 . 140 34 34 GLN CB C 30.407 0 . 141 34 34 GLN N N 117.604 0 . 142 35 35 VAL H H 7.113 0 . 143 35 35 VAL C C 176.741 0 . 144 35 35 VAL CA C 67.622 0 . 145 35 35 VAL CB C 31.795 0 . 146 35 35 VAL N N 120.851 0 . 147 36 36 CYS H H 9.132 0 . 148 36 36 CYS C C 177.301 0 . 149 36 36 CYS CA C 60.479 0 . 150 36 36 CYS CB C 42.579 0 . 151 36 36 CYS N N 116.372 0 . 152 37 37 SER H H 8.28 0 . 153 37 37 SER C C 178.289 0 . 154 37 37 SER CA C 60.568 0 . 155 37 37 SER CB C 62.012 0 . 156 37 37 SER N N 117.353 0 . 157 38 38 GLN H H 8.237 0 . 158 38 38 GLN C C 177.973 0 . 159 38 38 GLN CA C 59.58 0 . 160 38 38 GLN CB C 27.524 0 . 161 38 38 GLN N N 124.992 0 . 162 39 39 ALA H H 8.191 0 . 163 39 39 ALA C C 176.608 0 . 164 39 39 ALA CA C 52.529 0 . 165 39 39 ALA CB C 18.822 0 . 166 39 39 ALA N N 118.056 0 . 167 40 40 GLY H H 7.435 0 . 168 40 40 GLY C C 174.073 0 . 169 40 40 GLY CA C 45.249 0 . 170 40 40 GLY N N 103.9 0 . 171 41 41 LEU H H 7.561 0 . 172 41 41 LEU C C 176.047 0 . 173 41 41 LEU CA C 55.178 0 . 174 41 41 LEU CB C 42.599 0 . 175 41 41 LEU N N 117.353 0 . 176 42 42 CYS H H 6.651 0 . 177 42 42 CYS C C 172.952 0 . 178 42 42 CYS CA C 53.785 0 . 179 42 42 CYS CB C 46.209 0 . 180 42 42 CYS N N 112.981 0 . 181 43 43 PHE H H 8.601 0 . 182 43 43 PHE C C 175.327 0 . 183 43 43 PHE CA C 57.019 0 . 184 43 43 PHE CB C 39.589 0 . 185 43 43 PHE N N 121.219 0 . 186 44 44 VAL H H 8.203 0 . 187 44 44 VAL C C 175.487 0 . 188 44 44 VAL CA C 62.006 0 . 189 44 44 VAL CB C 32.862 0 . 190 44 44 VAL N N 121.62 0 . 191 45 45 ASP H H 8.354 0 . 192 45 45 ASP C C 176.795 0 . 193 45 45 ASP CA C 54.504 0 . 194 45 45 ASP CB C 41.084 0 . 195 45 45 ASP N N 123.913 0 . 196 46 46 GLY H H 8.327 0 . 197 46 46 GLY C C 174.26 0 . 198 46 46 GLY CA C 45.609 0 . 199 46 46 GLY N N 110.225 0 . 200 47 47 ALA H H 8.03 0 . 201 47 47 ALA C C 177.702 0 . 202 47 47 ALA CA C 52.482 0 . 203 47 47 ALA CB C 19.089 0 . 204 47 47 ALA N N 123.155 0 . 205 48 48 GLN H H 8.183 0 . 206 48 48 GLN C C 175.674 0 . 207 48 48 GLN CA C 55.806 0 . 208 48 48 GLN CB C 28.912 0 . 209 48 48 GLN N N 118.207 0 . 210 49 49 HIS H H 8.131 0 . 211 49 49 HIS C C 175.247 0 . 212 49 49 HIS CA C 56.135 0 . 213 49 49 HIS CB C 30.513 0 . 214 49 49 HIS N N 120.332 0 . 215 50 50 VAL H H 7.917 0 . 216 50 50 VAL C C 176.107 0 . 217 50 50 VAL CA C 62.321 0 . 218 50 50 VAL CB C 32.649 0 . 219 50 50 VAL N N 121.152 0 . 220 51 51 SER H H 8.366 0 . 221 51 51 SER C C 174.619 0 . 222 51 51 SER CA C 58.358 0 . 223 51 51 SER CB C 63.765 0 . 224 51 51 SER N N 119.016 0 . 225 52 52 SER H H 8.364 0 . 226 52 52 SER C C 174.176 0 . 227 52 52 SER CA C 58.143 0 . 228 52 52 SER CB C 63.79 0 . 229 52 52 SER N N 117.914 0 . 230 53 53 ASN H H 8.298 0 . 231 53 53 ASN C C 174.927 0 . 232 53 53 ASN CA C 53.292 0 . 233 53 53 ASN CB C 38.575 0 . 234 53 53 ASN N N 120.327 0 . 235 54 54 ILE H H 7.873 0 . 236 54 54 ILE C C 175.994 0 . 237 54 54 ILE CA C 61.242 0 . 238 54 54 ILE CB C 38.349 0 . 239 54 54 ILE N N 120.332 0 . 240 55 55 LYS H H 8.245 0 . 241 55 55 LYS C C 176.528 0 . 242 55 55 LYS CA C 56.211 0 . 243 55 55 LYS CB C 32.969 0 . 244 55 55 LYS N N 125.041 0 . 245 56 56 THR H H 8.091 0 . 246 56 56 THR C C 174.366 0 . 247 56 56 THR CA C 61.916 0 . 248 56 56 THR CB C 69.806 0 . 249 56 56 THR N N 115.613 0 . 250 57 57 VAL H H 8.068 0 . 251 57 57 VAL C C 176.074 0 . 252 57 57 VAL CA C 62.77 0 . 253 57 57 VAL CB C 32.435 0 . 254 57 57 VAL N N 122.206 0 . 255 58 58 VAL H H 8.03 0 . 256 58 58 VAL C C 176.261 0 . 257 58 58 VAL CA C 62.523 0 . 258 58 58 VAL CB C 32.649 0 . 259 58 58 VAL N N 122.894 0 . 260 59 59 GLU H H 8.306 0 . 261 59 59 GLU C C 176.394 0 . 262 59 59 GLU CA C 56.93 0 . 263 59 59 GLU CB C 29.98 0 . 264 59 59 GLU N N 124.097 0 . 265 60 60 ARG H H 8.18 0 . 266 60 60 ARG C C 176.368 0 . 267 60 60 ARG CA C 56.391 0 . 268 60 60 ARG CB C 30.699 0 . 269 60 60 ARG N N 120.984 0 . 270 61 61 GLU H H 8.46 0 . 271 61 61 GLU C C 176.848 0 . 272 61 61 GLU CA C 57.154 0 . 273 61 61 GLU CB C 29.873 0 . 274 61 61 GLU N N 121.436 0 . 275 62 62 THR H H 8 0 . 276 62 62 THR C C 174.633 0 . 277 62 62 THR CA C 62.051 0 . 278 62 62 THR CB C 69.806 0 . 279 62 62 THR N N 113.772 0 . 280 63 63 GLU H H 8.315 0 . 281 63 63 GLU C C 176.928 0 . 282 63 63 GLU CA C 56.975 0 . 283 63 63 GLU CB C 30.086 0 . 284 63 63 GLU N N 123.026 0 . 285 64 64 GLY H H 8.362 0 . 286 64 64 GLY C C 174.126 0 . 287 64 64 GLY CA C 45.294 0 . 288 64 64 GLY N N 109.94 0 . 289 65 65 SER H H 8.106 0 . 290 65 65 SER CA C 58.277 0 . 291 65 65 SER CB C 63.934 0 . 292 65 65 SER N N 115.295 0 . 293 67 67 VAL H H 8.12 0 . 294 67 67 VAL C C 176.474 0 . 295 67 67 VAL CA C 62.439 0 . 296 67 67 VAL CB C 32.435 0 . 297 67 67 VAL N N 121.109 0 . 298 68 68 GLY H H 8.274 0 . 299 68 68 GLY C C 173.566 0 . 300 68 68 GLY CA C 45.025 0 . 301 68 68 GLY N N 111.764 0 . 302 69 69 GLU H H 8.094 0 . 303 69 69 GLU C C 175.701 0 . 304 69 69 GLU CA C 56.166 0 . 305 69 69 GLU CB C 30.727 0 . 306 69 69 GLU N N 120.064 0 . 307 70 70 ALA H H 8.542 0 . 308 70 70 ALA CA C 50.865 0 . 309 70 70 ALA CB C 18.021 0 . 310 70 70 ALA N N 126.475 0 . 311 71 71 PRO C C 178.262 0 . 312 71 71 PRO CA C 65.151 0 . 313 71 71 PRO CB C 32.382 0 . 314 72 72 LEU H H 8.633 0 . 315 72 72 LEU C C 177.248 0 . 316 72 72 LEU CA C 55.896 0 . 317 72 72 LEU CB C 41.725 0 . 318 72 72 LEU N N 117.922 0 . 319 73 73 CYS H H 7.296 0 . 320 73 73 CYS C C 175.914 0 . 321 73 73 CYS CA C 58.861 0 . 322 73 73 CYS CB C 37.774 0 . 323 73 73 CYS N N 118.106 0 . 324 74 74 THR H H 8.253 0 . 325 74 74 THR C C 176.848 0 . 326 74 74 THR CA C 66.633 0 . 327 74 74 THR CB C 68.205 0 . 328 74 74 THR N N 115.931 0 . 329 75 75 ALA H H 8.292 0 . 330 75 75 ALA C C 178.475 0 . 331 75 75 ALA CA C 54.953 0 . 332 75 75 ALA CB C 17.914 0 . 333 75 75 ALA N N 122.423 0 . 334 76 76 CYS H H 8.077 0 . 335 76 76 CYS C C 175.034 0 . 336 76 76 CYS CA C 61.826 0 . 337 76 76 CYS CB C 41.458 0 . 338 76 76 CYS N N 118.78 0 . 339 77 77 GLU H H 8.48 0 . 340 77 77 GLU C C 180.21 0 . 341 77 77 GLU CA C 59.086 0 . 342 77 77 GLU CB C 28.805 0 . 343 77 77 GLU N N 119.612 0 . 344 78 78 MET H H 7.623 0 . 345 78 78 MET C C 176.928 0 . 346 78 78 MET CA C 58.098 0 . 347 78 78 MET CB C 32.649 0 . 348 78 78 MET N N 117.939 0 . 349 79 79 ALA H H 7.744 0 . 350 79 79 ALA C C 179.623 0 . 351 79 79 ALA CA C 55.133 0 . 352 79 79 ALA CB C 17.167 0 . 353 79 79 ALA N N 120.7 0 . 354 80 80 VAL H H 8.465 0 . 355 80 80 VAL C C 177.782 0 . 356 80 80 VAL CA C 67.532 0 . 357 80 80 VAL CB C 31.474 0 . 358 80 80 VAL N N 117.939 0 . 359 81 81 VAL H H 7.145 0 . 360 81 81 VAL C C 179.223 0 . 361 81 81 VAL CA C 66.813 0 . 362 81 81 VAL CB C 31.261 0 . 363 81 81 VAL N N 120.231 0 . 364 82 82 TRP H H 7.779 0 . 365 82 82 TRP C C 180.156 0 . 366 82 82 TRP CA C 59.086 0 . 367 82 82 TRP CB C 29.232 0 . 368 82 82 TRP N N 119.746 0 . 369 83 83 MET H H 9.114 0 . 370 83 83 MET C C 178.022 0 . 371 83 83 MET CA C 60.838 0 . 372 83 83 MET CB C 33.183 0 . 373 83 83 MET N N 118.313 0 . 374 84 84 GLN H H 8.996 0 . 375 84 84 GLN C C 178.395 0 . 376 84 84 GLN CA C 59.356 0 . 377 84 84 GLN CB C 28.378 0 . 378 84 84 GLN N N 119.25 0 . 379 85 85 ASN H H 7.838 0 . 380 85 85 ASN C C 177.702 0 . 381 85 85 ASN CA C 56.121 0 . 382 85 85 ASN CB C 38.308 0 . 383 85 85 ASN N N 116.717 0 . 384 86 86 GLN H H 7.693 0 . 385 86 86 GLN C C 178.849 0 . 386 86 86 GLN CA C 57.154 0 . 387 86 86 GLN CB C 29.125 0 . 388 86 86 GLN N N 117.721 0 . 389 87 87 LEU H H 8.454 0 . 390 87 87 LEU C C 179.303 0 . 391 87 87 LEU CA C 58.098 0 . 392 87 87 LEU CB C 41.938 0 . 393 87 87 LEU N N 122.725 0 . 394 88 88 LYS H H 7.547 0 . 395 88 88 LYS C C 177.008 0 . 396 88 88 LYS CA C 57.873 0 . 397 88 88 LYS CB C 32.102 0 . 398 88 88 LYS N N 117.333 0 . 399 89 89 GLN H H 7.319 0 . 400 89 89 GLN C C 174.927 0 . 401 89 89 GLN CA C 55.133 0 . 402 89 89 GLN CB C 29.125 0 . 403 89 89 GLN N N 116.65 0 . 404 90 90 GLU H H 8.029 0 . 405 90 90 GLU C C 175.941 0 . 406 90 90 GLU CA C 57.019 0 . 407 90 90 GLU CB C 28.591 0 . 408 90 90 GLU N N 116.868 0 . 409 91 91 GLY H H 8.065 0 . 410 91 91 GLY C C 173.513 0 . 411 91 91 GLY CA C 45.833 0 . 412 91 91 GLY N N 107.43 0 . 413 92 92 THR H H 7.685 0 . 414 92 92 THR C C 174.18 0 . 415 92 92 THR CA C 60.299 0 . 416 92 92 THR CB C 70.661 0 . 417 92 92 THR N N 112.065 0 . 418 93 93 LYS H H 8.483 0 . 419 93 93 LYS C C 176.848 0 . 420 93 93 LYS CA C 60.029 0 . 421 93 93 LYS CB C 32.542 0 . 422 93 93 LYS N N 124.835 0 . 423 94 94 GLU H H 8.731 0 . 424 94 94 GLU C C 179.383 0 . 425 94 94 GLU CA C 60.299 0 . 426 94 94 GLU CB C 28.485 0 . 427 94 94 GLU N N 114.642 0 . 428 95 95 LYS H H 7.119 0 . 429 95 95 LYS C C 179.356 0 . 430 95 95 LYS CA C 58.053 0 . 431 95 95 LYS CB C 32.008 0 . 432 95 95 LYS N N 117.939 0 . 433 96 96 VAL H H 8.179 0 . 434 96 96 VAL C C 177.755 0 . 435 96 96 VAL CA C 66.923 0 . 436 96 96 VAL CB C 30.902 0 . 437 96 96 VAL N N 121.653 0 . 438 97 97 LEU H H 8.167 0 . 439 97 97 LEU CA C 58.095 0 . 440 97 97 LEU CB C 39.842 0 . 441 97 97 LEU N N 118.253 0 . 442 99 99 TYR H H 7.808 0 . 443 99 99 TYR C C 177.835 0 . 444 99 99 TYR CA C 60.524 0 . 445 99 99 TYR CB C 38.201 0 . 446 99 99 TYR N N 120.499 0 . 447 100 100 VAL H H 8.398 0 . 448 100 100 VAL C C 176.368 0 . 449 100 100 VAL CA C 66.139 0 . 450 100 100 VAL CB C 31.154 0 . 451 100 100 VAL N N 117.755 0 . 452 101 101 ASN H H 7.926 0 . 453 101 101 ASN C C 177.808 0 . 454 101 101 ASN CA C 57.199 0 . 455 101 101 ASN CB C 38.842 0 . 456 101 101 ASN N N 116.834 0 . 457 102 102 GLN H H 7.608 0 . 458 102 102 GLN C C 179.036 0 . 459 102 102 GLN CA C 58.457 0 . 460 102 102 GLN CB C 27.737 0 . 461 102 102 GLN N N 116.533 0 . 462 103 103 LEU H H 7.446 0 . 463 103 103 LEU C C 179.81 0 . 464 103 103 LEU CA C 57.514 0 . 465 103 103 LEU CB C 39.803 0 . 466 103 103 LEU N N 121.47 0 . 467 104 104 CYS H H 7.882 0 . 468 104 104 CYS C C 176.661 0 . 469 104 104 CYS CA C 54.863 0 . 470 104 104 CYS CB C 35.532 0 . 471 104 104 CYS N N 114.693 0 . 472 105 105 GLU H H 7.414 0 . 473 105 105 GLU C C 176.341 0 . 474 105 105 GLU CA C 57.109 0 . 475 105 105 GLU CB C 29.766 0 . 476 105 105 GLU N N 116.567 0 . 477 106 106 LYS H H 7.496 0 . 478 106 106 LYS C C 175.781 0 . 479 106 106 LYS CA C 55.537 0 . 480 106 106 LYS CB C 32.649 0 . 481 106 106 LYS N N 118.742 0 . 482 107 107 ILE H H 7.534 0 . 483 107 107 ILE CA C 59.535 0 . 484 107 107 ILE CB C 38.521 0 . 485 107 107 ILE N N 123.745 0 . stop_ save_