data_27772 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N,13C assignments of the Solanum tuberosum Plant Specific Insert at pH 2.0 ; _BMRB_accession_number 27772 _BMRB_flat_file_name bmr27772.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 . 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" 90 "13C chemical shifts" 239 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-09 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27771 'Solanum tuberosum Plant Specific Insert at pH 7.0' 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 0.2 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 30 . mM pH 2.0 . 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 CBCA(CO)NH' '3D HNCO' '3D HN(CO)CA' '3D HNCA' 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 2 2 SER H H 8.578 0 . 2 2 2 SER C C 174.504 0 . 3 2 2 SER CA C 58.105 0 . 4 2 2 SER CB C 63.931 0 . 5 2 2 SER N N 115.719 0 . 6 3 3 ALA H H 8.573 0 . 7 3 3 ALA C C 178.336 0 . 8 3 3 ALA CA C 53.202 0 . 9 3 3 ALA CB C 18.865 0 . 10 3 3 ALA N N 126.421 0 . 11 4 4 MET H H 8.267 0 . 12 4 4 MET C C 176.594 0 . 13 4 4 MET CA C 55.797 0 . 14 4 4 MET CB C 32.5 0 . 15 4 4 MET N N 118.573 0 . 16 5 5 ALA H H 8.139 0 . 17 5 5 ALA C C 177.291 0 . 18 5 5 ALA CA C 53.49 0 . 19 5 5 ALA CB C 18.688 0 . 20 5 5 ALA N N 124.546 0 . 21 6 6 ILE H H 7.874 0 . 22 6 6 ILE C C 177.03 0 . 23 6 6 ILE CA C 62.472 0 . 24 6 6 ILE CB C 38.166 0 . 25 6 6 ILE N N 119.104 0 . 26 7 7 VAL H H 7.848 0 . 27 7 7 VAL C C 178.075 0 . 28 7 7 VAL CA C 64.779 0 . 29 7 7 VAL N N 120.859 0 . 30 8 8 SER H H 8.341 0 . 31 8 8 SER C C 176.58 0 . 32 8 8 SER CA C 61.689 0 . 33 8 8 SER CB C 63.081 0 . 34 8 8 SER N N 116.53 0 . 35 9 9 MET H H 7.921 0 . 36 9 9 MET C C 179.236 0 . 37 9 9 MET CA C 58.393 0 . 38 9 9 MET CB C 27.908 0 . 39 9 9 MET N N 119.743 0 . 40 10 10 GLU H H 8.082 0 . 41 10 10 GLU CA C 57.363 0 . 42 10 10 GLU N N 119.91 0 . 43 15 15 VAL H H 8.132 0 . 44 15 15 VAL C C 178.162 0 . 45 15 15 VAL CA C 67.459 0 . 46 15 15 VAL CB C 31.526 0 . 47 15 15 VAL N N 117.094 0 . 48 16 16 SER H H 8.298 0 . 49 16 16 SER C C 176.202 0 . 50 16 16 SER CA C 61.236 0 . 51 16 16 SER CB C 63.222 0 . 52 16 16 SER N N 114.12 0 . 53 17 17 GLN H H 8.429 0 . 54 17 17 GLN C C 177.509 0 . 55 17 17 GLN CA C 57.322 0 . 56 17 17 GLN CB C 29.401 0 . 57 17 17 GLN N N 118.48 0 . 58 18 18 TYR H H 7.68 0 . 59 18 18 TYR C C 176.551 0 . 60 18 18 TYR CA C 57.94 0 . 61 18 18 TYR CB C 40 0 . 62 18 18 TYR N N 113.907 0 . 63 19 19 GLY H H 7.52 0 . 64 19 19 GLY C C 174.301 0 . 65 19 19 GLY CA C 49.251 0 . 66 19 19 GLY N N 110.385 0 . 67 20 20 GLU H H 8.224 0 . 68 20 20 GLU C C 178.801 0 . 69 20 20 GLU CA C 59.833 0 . 70 20 20 GLU CB C 32.901 0 . 71 20 20 GLU N N 119.409 0 . 72 21 21 MET H H 7.873 0 . 73 21 21 MET C C 178.583 0 . 74 21 21 MET CA C 58.91 0 . 75 21 21 MET CB C 32.6 0 . 76 21 21 MET N N 119.304 0 . 77 22 22 ILE H H 8.676 0 . 78 22 22 ILE C C 176.986 0 . 79 22 22 ILE CA C 65.809 0 . 80 22 22 ILE N N 118.48 0 . 81 23 23 TRP H H 8.41 0 . 82 23 23 TRP C C 176.928 0 . 83 23 23 TRP CA C 60.285 0 . 84 23 23 TRP N N 119.844 0 . 85 24 24 ASP H H 8.363 0 . 86 24 24 ASP CA C 56.698 0 . 87 24 24 ASP N N 115.48 0 . 88 27 27 VAL H H 8.648 0 . 89 27 27 VAL C C 178.017 0 . 90 27 27 VAL CA C 65.48 0 . 91 27 27 VAL CB C 31.526 0 . 92 27 27 VAL N N 119.052 0 . 93 28 28 SER H H 7.852 0 . 94 28 28 SER C C 175.114 0 . 95 28 28 SER CA C 59.794 0 . 96 28 28 SER CB C 63.399 0 . 97 28 28 SER N N 112.986 0 . 98 29 29 GLY H H 7.481 0 . 99 29 29 GLY C C 173.764 0 . 100 29 29 GLY CA C 45.868 0 . 101 29 29 GLY N N 107.981 0 . 102 30 30 VAL H H 6.915 0 . 103 30 30 VAL C C 174.867 0 . 104 30 30 VAL CA C 62.184 0 . 105 30 30 VAL CB C 32.299 0 . 106 30 30 VAL N N 119.778 0 . 107 31 31 ARG H H 8.524 0 . 108 31 31 ARG CA C 52.543 0 . 109 31 31 ARG CB C 31.073 0 . 110 31 31 ARG N N 125.854 0 . 111 32 32 PRO C C 177.082 0 . 112 32 32 PRO CA C 66.139 0 . 113 32 32 PRO CB C 32.412 0 . 114 33 33 ASP H H 8.681 0 . 115 33 33 ASP C C 177.756 0 . 116 33 33 ASP CA C 56.415 0 . 117 33 33 ASP CB C 38.432 0 . 118 33 33 ASP N N 112.823 0 . 119 34 34 GLN H H 7.224 0 . 120 34 34 GLN C C 178.147 0 . 121 34 34 GLN CA C 58.352 0 . 122 34 34 GLN CB C 28.693 0 . 123 34 34 GLN N N 121.706 0 . 124 35 35 VAL H H 7.821 0 . 125 35 35 VAL C C 177.901 0 . 126 35 35 VAL CA C 66.427 0 . 127 35 35 VAL N N 120.026 0 . 128 36 36 CYS H H 8.004 0 . 129 36 36 CYS C C 176.899 0 . 130 36 36 CYS CA C 60.198 0 . 131 36 36 CYS CB C 43.833 0 . 132 36 36 CYS N N 113.8 0 . 133 37 37 SER H H 7.947 0 . 134 37 37 SER C C 178.278 0 . 135 37 37 SER CA C 61.236 0 . 136 37 37 SER CB C 62.249 0 . 137 37 37 SER N N 117.907 0 . 138 38 38 GLN H H 8.2 0 . 139 38 38 GLN C C 177.988 0 . 140 38 38 GLN CA C 59.135 0 . 141 38 38 GLN CB C 28.693 0 . 142 38 38 GLN N N 124.891 0 . 143 39 39 ALA H H 7.757 0 . 144 39 39 ALA C C 176.101 0 . 145 39 39 ALA CA C 52.254 0 . 146 39 39 ALA CB C 18.954 0 . 147 39 39 ALA N N 118.201 0 . 148 40 40 GLY H H 7.515 0 . 149 40 40 GLY C C 174.17 0 . 150 40 40 GLY CA C 45.085 0 . 151 40 40 GLY N N 103.847 0 . 152 41 41 LEU H H 7.476 0 . 153 41 41 LEU C C 176.072 0 . 154 41 41 LEU CA C 54.932 0 . 155 41 41 LEU CB C 42.505 0 . 156 41 41 LEU N N 116.454 0 . 157 42 42 CYS H H 6.691 0 . 158 42 42 CYS C C 172.893 0 . 159 42 42 CYS CA C 53.985 0 . 160 42 42 CYS CB C 46.4 0 . 161 42 42 CYS N N 112.944 0 . 162 43 43 PHE H H 8.458 0 . 163 43 43 PHE C C 175.215 0 . 164 43 43 PHE CA C 56.869 0 . 165 43 43 PHE CB C 39.494 0 . 166 43 43 PHE N N 120.895 0 . 167 44 44 VAL H H 8.153 0 . 168 44 44 VAL C C 175.564 0 . 169 44 44 VAL CA C 61.997 0 . 170 44 44 VAL CB C 32.792 0 . 171 44 44 VAL N N 121.059 0 . 172 45 45 ASP H H 8.407 0 . 173 45 45 ASP C C 176.159 0 . 174 45 45 ASP CA C 53.696 0 . 175 45 45 ASP CB C 39.583 0 . 176 45 45 ASP N N 123.181 0 . 177 46 46 GLY H H 8.303 0 . 178 46 46 GLY C C 174.04 0 . 179 46 46 GLY CA C 45.338 0 . 180 46 46 GLY N N 109.779 0 . 181 47 47 ALA H H 7.985 0 . 182 47 47 ALA C C 177.552 0 . 183 47 47 ALA CA C 52.419 0 . 184 47 47 ALA CB C 19.22 0 . 185 47 47 ALA N N 123.11 0 . 186 48 48 GLN H H 8.144 0 . 187 48 48 GLN C C 175.738 0 . 188 48 48 GLN CA C 55.756 0 . 189 48 48 GLN CB C 29.136 0 . 190 48 48 GLN N N 118.165 0 . 191 49 49 HIS H H 8.376 0 . 192 49 49 HIS C C 174.156 0 . 193 49 49 HIS CA C 54.973 0 . 194 49 49 HIS CB C 28.782 0 . 195 49 49 HIS N N 119.419 0 . 196 50 50 VAL H H 8.095 0 . 197 50 50 VAL C C 175.912 0 . 198 50 50 VAL CA C 62.06 0 . 199 50 50 VAL CB C 32.766 0 . 200 50 50 VAL N N 121.178 0 . 201 51 51 SER H H 8.394 0 . 202 51 51 SER C C 174.504 0 . 203 51 51 SER CA C 58.228 0 . 204 51 51 SER CB C 63.83 0 . 205 51 51 SER N N 119.456 0 . 206 52 52 SER H H 8.274 0 . 207 52 52 SER C C 174.185 0 . 208 52 52 SER CA C 58.475 0 . 209 52 52 SER CB C 63.693 0 . 210 52 52 SER N N 117.5 0 . 211 53 53 ASN H H 8.338 0 . 212 53 53 ASN C C 175.099 0 . 213 53 53 ASN CA C 53.367 0 . 214 53 53 ASN CB C 38.521 0 . 215 53 53 ASN N N 120.097 0 . 216 54 54 ILE H H 7.862 0 . 217 54 54 ILE C C 176.13 0 . 218 54 54 ILE CA C 61.318 0 . 219 54 54 ILE CB C 38.297 0 . 220 54 54 ILE N N 120.399 0 . 221 55 55 LYS H H 8.262 0 . 222 55 55 LYS C C 176.783 0 . 223 55 55 LYS CA C 56.745 0 . 224 55 55 LYS CB C 32.766 0 . 225 55 55 LYS N N 124.422 0 . 226 56 56 THR H H 7.891 0 . 227 56 56 THR C C 174.62 0 . 228 56 56 THR CA C 62.101 0 . 229 56 56 THR CB C 69.774 0 . 230 56 56 THR N N 114.652 0 . 231 57 57 VAL H H 8.004 0 . 232 57 57 VAL C C 176.377 0 . 233 57 57 VAL CA C 63.172 0 . 234 57 57 VAL CB C 32.412 0 . 235 57 57 VAL N N 122.295 0 . 236 58 58 VAL H H 8.02 0 . 237 58 58 VAL C C 176.594 0 . 238 58 58 VAL CA C 62.925 0 . 239 58 58 VAL CB C 32.5 0 . 240 58 58 VAL N N 122.547 0 . 241 59 59 GLU H H 8.206 0 . 242 59 59 GLU C C 176.313 0 . 243 59 59 GLU CA C 56.457 0 . 244 59 59 GLU CB C 28.782 0 . 245 59 59 GLU N N 123.341 0 . 246 60 60 ARG H H 8.181 0 . 247 60 60 ARG C C 176.638 0 . 248 60 60 ARG CA C 56.663 0 . 249 60 60 ARG CB C 30.552 0 . 250 60 60 ARG N N 121.072 0 . 251 61 61 GLU H H 8.269 0 . 252 61 61 GLU C C 176.565 0 . 253 61 61 GLU CA C 56.415 0 . 254 61 61 GLU CB C 28.693 0 . 255 61 61 GLU N N 120.328 0 . 256 62 62 THR H H 8.023 0 . 257 62 62 THR C C 174.765 0 . 258 62 62 THR CA C 62.06 0 . 259 62 62 THR CB C 69.774 0 . 260 62 62 THR N N 113.836 0 . 261 63 63 GLU H H 8.218 0 . 262 63 63 GLU C C 176.565 0 . 263 63 63 GLU CA C 56.292 0 . 264 63 63 GLU CB C 28.782 0 . 265 63 63 GLU N N 122.1 0 . 266 64 64 GLY H H 8.322 0 . 267 64 64 GLY C C 174.156 0 . 268 64 64 GLY CA C 45.415 0 . 269 64 64 GLY N N 109.665 0 . 270 65 65 SER H H 8.076 0 . 271 65 65 SER C C 174.707 0 . 272 65 65 SER CA C 58.228 0 . 273 65 65 SER CB C 63.931 0 . 274 65 65 SER N N 115.134 0 . 275 66 66 SER H H 8.318 0 . 276 66 66 SER C C 174.635 0 . 277 66 66 SER CA C 58.393 0 . 278 66 66 SER N N 117.775 0 . 279 67 67 VAL H H 7.965 0 . 280 67 67 VAL C C 176.594 0 . 281 67 67 VAL CA C 62.637 0 . 282 67 67 VAL CB C 32.412 0 . 283 67 67 VAL N N 120.7 0 . 284 68 68 GLY H H 8.256 0 . 285 68 68 GLY C C 173.851 0 . 286 68 68 GLY CA C 45.126 0 . 287 68 68 GLY N N 111.296 0 . 288 69 69 GLU H H 8.024 0 . 289 69 69 GLU C C 175.723 0 . 290 69 69 GLU CA C 55.839 0 . 291 69 69 GLU CB C 29.401 0 . 292 69 69 GLU N N 119.335 0 . 293 70 70 ALA H H 8.391 0 . 294 70 70 ALA CA C 51.636 0 . 295 70 70 ALA N N 125.641 0 . 296 72 72 LEU H H 8.452 0 . 297 72 72 LEU C C 177.465 0 . 298 72 72 LEU CA C 56.003 0 . 299 72 72 LEU CB C 41.885 0 . 300 72 72 LEU N N 117.594 0 . 301 73 73 CYS H H 7.406 0 . 302 73 73 CYS C C 176.246 0 . 303 73 73 CYS CA C 58.696 0 . 304 73 73 CYS CB C 37.955 0 . 305 73 73 CYS N N 118.342 0 . 306 74 74 THR H H 8.225 0 . 307 74 74 THR C C 176.856 0 . 308 74 74 THR CA C 66.468 0 . 309 74 74 THR N N 115.668 0 . 310 75 75 ALA H H 8.172 0 . 311 75 75 ALA CA C 55.051 0 . 312 75 75 ALA N N 122.777 0 . 313 78 78 MET H H 7.832 0 . 314 78 78 MET C C 176.609 0 . 315 78 78 MET CA C 57.981 0 . 316 78 78 MET N N 117.452 0 . 317 79 79 ALA H H 7.552 0 . 318 79 79 ALA C C 179.585 0 . 319 79 79 ALA CA C 55.097 0 . 320 79 79 ALA CB C 17.006 0 . 321 79 79 ALA N N 119.402 0 . 322 80 80 VAL H H 8.451 0 . 323 80 80 VAL CA C 67.405 0 . 324 80 80 VAL N N 117.594 0 . 325 83 83 MET H H 8.676 0 . 326 83 83 MET C C 178.147 0 . 327 83 83 MET CA C 60.989 0 . 328 83 83 MET N N 119.863 0 . 329 84 84 GLN H H 8.828 0 . 330 84 84 GLN C C 177.988 0 . 331 84 84 GLN CA C 59.981 0 . 332 84 84 GLN CB C 29.171 0 . 333 84 84 GLN N N 118.409 0 . 334 85 85 ASN H H 8.705 0 . 335 85 85 ASN CA C 56.127 0 . 336 85 85 ASN CB C 37.901 0 . 337 85 85 ASN N N 117.239 0 . 338 88 88 LYS H H 7.464 0 . 339 88 88 LYS C C 177.262 0 . 340 88 88 LYS CA C 57.239 0 . 341 88 88 LYS CB C 32.943 0 . 342 88 88 LYS N N 113.872 0 . 343 89 89 GLN H H 7.32 0 . 344 89 89 GLN C C 177.167 0 . 345 89 89 GLN CA C 56.209 0 . 346 89 89 GLN CB C 28.693 0 . 347 89 89 GLN N N 118.591 0 . 348 90 90 GLU H H 8.862 0 . 349 90 90 GLU C C 177.93 0 . 350 90 90 GLU CA C 59.258 0 . 351 90 90 GLU CB C 28.148 0 . 352 90 90 GLU N N 123.16 0 . 353 91 91 GLY H H 8.731 0 . 354 91 91 GLY C C 176.289 0 . 355 91 91 GLY CA C 46.857 0 . 356 91 91 GLY N N 104.663 0 . 357 92 92 THR H H 7.234 0 . 358 92 92 THR C C 174.925 0 . 359 92 92 THR CA C 65.562 0 . 360 92 92 THR N N 118.697 0 . 361 93 93 LYS H H 7.606 0 . 362 93 93 LYS C C 177.335 0 . 363 93 93 LYS CA C 59.247 0 . 364 93 93 LYS CB C 31.792 0 . 365 93 93 LYS N N 121.164 0 . 366 94 94 GLU H H 8.328 0 . 367 94 94 GLU C C 178.612 0 . 368 94 94 GLU CA C 59.011 0 . 369 94 94 GLU CB C 27.607 0 . 370 94 94 GLU N N 115.137 0 . 371 95 95 LYS H H 7.165 0 . 372 95 95 LYS C C 179.497 0 . 373 95 95 LYS CA C 58.846 0 . 374 95 95 LYS CB C 32.057 0 . 375 95 95 LYS N N 118.077 0 . 376 96 96 VAL H H 7.582 0 . 377 96 96 VAL C C 179.265 0 . 378 96 96 VAL CA C 66.798 0 . 379 96 96 VAL N N 119.756 0 . 380 97 97 LEU H H 8.146 0 . 381 97 97 LEU CA C 59.011 0 . 382 97 97 LEU N N 120.3 0 . 383 100 100 VAL H H 8.004 0 . 384 100 100 VAL C C 176.71 0 . 385 100 100 VAL CA C 66.716 0 . 386 100 100 VAL N N 118.409 0 . 387 101 101 ASN H H 8.218 0 . 388 101 101 ASN C C 177.639 0 . 389 101 101 ASN CA C 57.116 0 . 390 101 101 ASN CB C 38.875 0 . 391 101 101 ASN N N 116.353 0 . 392 102 102 GLN H H 7.592 0 . 393 102 102 GLN C C 178.946 0 . 394 102 102 GLN CA C 58.475 0 . 395 102 102 GLN CB C 27.896 0 . 396 102 102 GLN N N 116.424 0 . 397 103 103 LEU H H 7.386 0 . 398 103 103 LEU C C 180.049 0 . 399 103 103 LEU CA C 57.445 0 . 400 103 103 LEU N N 121.458 0 . 401 104 104 CYS H H 8.109 0 . 402 104 104 CYS C C 177.044 0 . 403 104 104 CYS CA C 55.427 0 . 404 104 104 CYS CB C 35.422 0 . 405 104 104 CYS N N 115.869 0 . 406 105 105 GLU H H 7.479 0 . 407 105 105 GLU C C 176.188 0 . 408 105 105 GLU CA C 56.91 0 . 409 105 105 GLU CB C 28.693 0 . 410 105 105 GLU N N 115.609 0 . 411 106 106 LYS H H 7.408 0 . 412 106 106 LYS C C 175.825 0 . 413 106 106 LYS CA C 55.509 0 . 414 106 106 LYS CB C 32.766 0 . 415 106 106 LYS N N 118.342 0 . 416 107 107 ILE H H 7.44 0 . 417 107 107 ILE CA C 59.629 0 . 418 107 107 ILE CB C 38.698 0 . 419 107 107 ILE N N 123.217 0 . stop_ save_