data_27923 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; scAtg3FR(86-159) ; _BMRB_accession_number 27923 _BMRB_flat_file_name bmr27923.str _Entry_type original _Submission_date 2019-05-23 _Accession_date 2019-05-23 _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 Royappa Grace . . 2 Zheng Yumei . . 3 Yu Qiu . . 4 Schulman Brenda . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 71 "13C chemical shifts" 205 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-04 update BMRB 'update entry citation' 2019-08-06 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27922 Atg3 27924 scAtg8 stop_ _Original_release_date 2019-05-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A switch element in the autophagy E2 Atg3 mediates allosteric regulation across the lipidation cascade ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31399562 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Yumei . . 2 Qiu Yu . . 3 Grace Christy . . 4 Liu Xu . . 5 Klionsky Daniel J. . 6 Schulman Brenda A. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3600 _Page_last 3600 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name scAtg3FR(86-159) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label scAtg3FR(86-159) $scAtg3FR(86-159) 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_scAtg3FR(86-159) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common scAtg3FR(86-159) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSVEGPDVIMKGFAEDGDED DVLEYIGSETEHVQSTPAGG TKDSSIDDIDELIQDMEIKE EDENDDTEEFNAKGGL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 84 GLY 2 85 SER 3 86 VAL 4 87 GLU 5 88 GLY 6 89 PRO 7 90 ASP 8 91 VAL 9 92 ILE 10 93 MET 11 94 LYS 12 95 GLY 13 96 PHE 14 97 ALA 15 98 GLU 16 99 ASP 17 100 GLY 18 101 ASP 19 102 GLU 20 103 ASP 21 104 ASP 22 105 VAL 23 106 LEU 24 107 GLU 25 108 TYR 26 109 ILE 27 110 GLY 28 111 SER 29 112 GLU 30 113 THR 31 114 GLU 32 115 HIS 33 116 VAL 34 117 GLN 35 118 SER 36 119 THR 37 120 PRO 38 121 ALA 39 122 GLY 40 123 GLY 41 124 THR 42 125 LYS 43 126 ASP 44 127 SER 45 128 SER 46 129 ILE 47 130 ASP 48 131 ASP 49 132 ILE 50 133 ASP 51 134 GLU 52 135 LEU 53 136 ILE 54 137 GLN 55 138 ASP 56 139 MET 57 140 GLU 58 141 ILE 59 142 LYS 60 143 GLU 61 144 GLU 62 145 ASP 63 146 GLU 64 147 ASN 65 148 ASP 66 149 ASP 67 150 THR 68 151 GLU 69 152 GLU 70 153 PHE 71 154 ASN 72 155 ALA 73 156 LYS 74 157 GLY 75 158 GLY 76 159 LEU 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 $scAtg3FR(86-159) "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $scAtg3FR(86-159) 'recombinant technology' . Saccharomyces cerevisiae . pGEX-4T-1 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 $scAtg3FR(86-159) 0.75 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 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' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(COCA)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)NH' _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' 100 . mM pH 6.5 . 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HN(COCA)NH' 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 scAtg3FR(86-159) _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 86 3 VAL H H 8.142 0.020 1 2 86 3 VAL C C 175.419 0.3 1 3 86 3 VAL CA C 62.474 0.3 1 4 86 3 VAL CB C 32.651 0.3 1 5 86 3 VAL N N 121.278 0.3 1 6 87 4 GLU H H 8.341 0.020 1 7 87 4 GLU C C 175.706 0.3 1 8 87 4 GLU CA C 56.361 0.3 1 9 87 4 GLU CB C 30.685 0.3 1 10 87 4 GLU N N 124.001 0.3 1 11 88 5 GLY H H 8.060 0.020 1 12 88 5 GLY C C 171.207 0.3 1 13 88 5 GLY CA C 44.854 0.3 1 14 88 5 GLY N N 109.874 0.3 1 15 90 7 ASP H H 8.268 0.020 1 16 90 7 ASP C C 175.512 0.3 1 17 90 7 ASP CA C 54.554 0.3 1 18 90 7 ASP CB C 40.930 0.3 1 19 90 7 ASP N N 119.512 0.3 1 20 91 8 VAL H H 7.753 0.020 1 21 91 8 VAL C C 175.338 0.3 1 22 91 8 VAL CA C 62.548 0.3 1 23 91 8 VAL CB C 32.725 0.3 1 24 91 8 VAL N N 119.884 0.3 1 25 92 9 ILE H H 7.988 0.020 1 26 92 9 ILE C C 175.583 0.3 1 27 92 9 ILE CA C 61.348 0.3 1 28 92 9 ILE CB C 38.336 0.3 1 29 92 9 ILE N N 124.469 0.3 1 30 93 10 MET H H 8.251 0.020 1 31 93 10 MET C C 175.297 0.3 1 32 93 10 MET CA C 55.352 0.3 1 33 93 10 MET CB C 32.817 0.3 1 34 93 10 MET N N 124.666 0.3 1 35 94 11 LYS H H 8.144 0.020 1 36 94 11 LYS C C 176.156 0.3 1 37 94 11 LYS CA C 56.361 0.3 1 38 94 11 LYS CB C 33.115 0.3 1 39 94 11 LYS N N 123.027 0.3 1 40 95 12 GLY H H 8.238 0.020 1 41 95 12 GLY C C 172.976 0.3 1 42 95 12 GLY CA C 44.949 0.3 1 43 95 12 GLY N N 109.890 0.3 1 44 96 13 PHE H H 7.908 0.020 1 45 96 13 PHE C C 174.724 0.3 1 46 96 13 PHE CA C 57.545 0.3 1 47 96 13 PHE CB C 39.952 0.3 1 48 96 13 PHE N N 119.675 0.3 1 49 97 14 ALA H H 8.140 0.020 1 50 97 14 ALA C C 176.718 0.3 1 51 97 14 ALA CA C 52.462 0.3 1 52 97 14 ALA CB C 19.464 0.3 1 53 97 14 ALA N N 125.385 0.3 1 54 98 15 GLU H H 8.223 0.020 1 55 98 15 GLU C C 175.614 0.3 1 56 98 15 GLU CA C 56.361 0.3 1 57 98 15 GLU CB C 30.115 0.3 1 58 98 15 GLU N N 120.233 0.3 1 59 99 16 ASP H H 8.196 0.020 1 60 99 16 ASP C C 175.951 0.3 1 61 99 16 ASP CA C 54.649 0.3 1 62 99 16 ASP CB C 41.051 0.3 1 63 99 16 ASP N N 120.663 0.3 1 64 100 17 GLY H H 8.138 0.020 1 65 100 17 GLY C C 173.201 0.3 1 66 100 17 GLY CA C 45.425 0.3 1 67 100 17 GLY N N 109.139 0.3 1 68 101 18 ASP H H 8.105 0.020 1 69 101 18 ASP C C 175.788 0.3 1 70 101 18 ASP CA C 54.348 0.3 1 71 101 18 ASP CB C 41.359 0.3 1 72 101 18 ASP N N 120.352 0.3 1 73 102 19 GLU H H 8.316 0.020 1 74 102 19 GLU C C 175.624 0.3 1 75 102 19 GLU CA C 56.836 0.3 1 76 102 19 GLU CB C 30.115 0.3 1 77 102 19 GLU N N 120.961 0.3 1 78 103 20 ASP H H 8.203 0.020 1 79 103 20 ASP C C 175.368 0.3 1 80 103 20 ASP CA C 54.364 0.3 1 81 103 20 ASP CB C 41.051 0.3 1 82 103 20 ASP N N 121.046 0.3 1 83 105 22 VAL H H 7.880 0.020 1 84 105 22 VAL C C 175.534 0.3 1 85 105 22 VAL CA C 62.394 0.3 1 86 105 22 VAL CB C 32.345 0.3 1 87 105 22 VAL N N 120.144 0.3 1 88 106 23 LEU H H 8.084 0.020 1 89 106 23 LEU C C 176.493 0.3 1 90 106 23 LEU CA C 55.315 0.3 1 91 106 23 LEU CB C 42.192 0.3 1 92 106 23 LEU N N 125.527 0.3 1 93 107 24 GLU H H 8.052 0.020 1 94 107 24 GLU C C 175.109 0.3 1 95 107 24 GLU CA C 56.404 0.3 1 96 107 24 GLU CB C 30.633 0.3 1 97 107 24 GLU N N 121.324 0.3 1 98 108 25 TYR H H 8.028 0.020 1 99 108 25 TYR C C 174.901 0.3 1 100 108 25 TYR CA C 57.925 0.3 1 101 108 25 TYR CB C 38.906 0.3 1 102 108 25 TYR N N 121.458 0.3 1 103 109 26 ILE H H 7.887 0.020 1 104 109 26 ILE C C 175.701 0.3 1 105 109 26 ILE CA C 61.348 0.3 1 106 109 26 ILE CB C 38.906 0.3 1 107 109 26 ILE N N 123.822 0.3 1 108 110 27 GLY H H 7.948 0.020 1 109 110 27 GLY C C 173.384 0.3 1 110 110 27 GLY CA C 45.425 0.3 1 111 110 27 GLY N N 112.424 0.3 1 112 111 28 SER H H 8.052 0.020 1 113 111 28 SER C C 174.251 0.3 1 114 111 28 SER CA C 58.548 0.3 1 115 111 28 SER CB C 63.968 0.3 1 116 111 28 SER N N 115.320 0.3 1 117 112 29 GLU H H 8.528 0.020 1 118 112 29 GLU C C 176.218 0.3 1 119 112 29 GLU CA C 56.931 0.3 1 120 112 29 GLU CB C 30.020 0.3 1 121 112 29 GLU N N 122.772 0.3 1 122 113 30 THR H H 7.945 0.020 1 123 113 30 THR C C 173.868 0.3 1 124 113 30 THR CA C 62.447 0.3 1 125 113 30 THR CB C 69.579 0.3 1 126 113 30 THR N N 114.097 0.3 1 127 114 31 GLU H H 8.075 0.020 1 128 114 31 GLU C C 175.451 0.3 1 129 114 31 GLU CA C 56.456 0.3 1 130 114 31 GLU CB C 30.115 0.3 1 131 114 31 GLU N N 122.619 0.3 1 132 115 32 HIS H H 8.311 0.020 1 133 115 32 HIS C C 173.851 0.3 1 134 115 32 HIS CA C 55.347 0.3 1 135 115 32 HIS CB C 29.238 0.3 1 136 115 32 HIS N N 120.053 0.3 1 137 116 33 VAL H H 8.027 0.020 1 138 116 33 VAL C C 175.334 0.3 1 139 116 33 VAL CA C 62.394 0.3 1 140 116 33 VAL CB C 32.820 0.3 1 141 116 33 VAL N N 122.045 0.3 1 142 117 34 GLN H H 8.408 0.020 1 143 117 34 GLN C C 175.151 0.3 1 144 117 34 GLN CA C 55.790 0.3 1 145 117 34 GLN CB C 29.544 0.3 1 146 117 34 GLN N N 124.541 0.3 1 147 118 35 SER H H 8.276 0.020 1 148 118 35 SER C C 173.543 0.3 1 149 118 35 SER CA C 58.072 0.3 1 150 118 35 SER CB C 63.968 0.3 1 151 118 35 SER N N 118.003 0.3 1 152 119 36 THR H H 8.099 0.020 1 153 119 36 THR C C 172.185 0.3 1 154 119 36 THR CA C 59.732 0.3 1 155 119 36 THR CB C 69.812 0.3 1 156 119 36 THR N N 118.225 0.3 1 157 121 38 ALA H H 8.319 0.020 1 158 121 38 ALA C C 177.776 0.3 1 159 121 38 ALA CA C 52.557 0.3 1 160 121 38 ALA CB C 19.179 0.3 1 161 121 38 ALA N N 124.716 0.3 1 162 122 39 GLY H H 8.255 0.020 1 163 122 39 GLY C C 174.072 0.3 1 164 122 39 GLY CA C 45.425 0.3 1 165 122 39 GLY N N 108.261 0.3 1 166 123 40 GLY H H 8.103 0.020 1 167 123 40 GLY C C 173.636 0.3 1 168 123 40 GLY CA C 45.422 0.3 1 169 123 40 GLY N N 108.536 0.3 1 170 124 41 THR H H 7.980 0.020 1 171 124 41 THR C C 173.985 0.3 1 172 124 41 THR CA C 61.876 0.3 1 173 124 41 THR CB C 70.054 0.3 1 174 124 41 THR N N 113.684 0.3 1 175 125 42 LYS H H 8.286 0.020 1 176 125 42 LYS C C 175.510 0.3 1 177 125 42 LYS CA C 56.265 0.3 1 178 125 42 LYS CB C 32.873 0.3 1 179 125 42 LYS N N 123.829 0.3 1 180 126 43 ASP H H 8.248 0.020 1 181 126 43 ASP C C 175.619 0.3 1 182 126 43 ASP CA C 54.173 0.3 1 183 126 43 ASP CB C 41.051 0.3 1 184 126 43 ASP N N 122.100 0.3 1 185 127 44 SER H H 8.153 0.020 1 186 127 44 SER C C 173.898 0.3 1 187 127 44 SER CA C 58.548 0.3 1 188 127 44 SER CB C 63.968 0.3 1 189 127 44 SER N N 116.744 0.3 1 190 128 45 SER H H 8.323 0.020 1 191 128 45 SER C C 174.017 0.3 1 192 128 45 SER CA C 58.612 0.3 1 193 128 45 SER CB C 63.966 0.3 1 194 128 45 SER N N 117.993 0.3 1 195 129 46 ILE H H 7.859 0.020 1 196 129 46 ILE C C 175.161 0.3 1 197 129 46 ILE CA C 61.348 0.3 1 198 129 46 ILE CB C 38.906 0.3 1 199 129 46 ILE N N 121.529 0.3 1 200 130 47 ASP H H 8.079 0.020 1 201 130 47 ASP C C 175.128 0.3 1 202 130 47 ASP CA C 54.649 0.3 1 203 130 47 ASP CB C 41.336 0.3 1 204 130 47 ASP N N 123.399 0.3 1 205 131 48 ASP H H 8.021 0.020 1 206 131 48 ASP C C 175.486 0.3 1 207 131 48 ASP CA C 54.276 0.3 1 208 131 48 ASP CB C 40.930 0.3 1 209 131 48 ASP N N 120.670 0.3 1 210 132 49 ILE H H 7.861 0.020 1 211 132 49 ILE C C 175.323 0.3 1 212 132 49 ILE CA C 61.348 0.3 1 213 132 49 ILE CB C 38.906 0.3 1 214 132 49 ILE N N 120.466 0.3 1 215 133 50 ASP H H 8.184 0.020 1 216 133 50 ASP C C 175.549 0.3 1 217 133 50 ASP CA C 54.649 0.3 1 218 133 50 ASP CB C 41.051 0.3 1 219 133 50 ASP N N 124.095 0.3 1 220 134 51 GLU H H 8.112 0.020 1 221 134 51 GLU C C 175.439 0.3 1 222 134 51 GLU CA C 56.646 0.3 1 223 134 51 GLU CB C 30.115 0.3 1 224 134 51 GLU N N 121.375 0.3 1 225 135 52 LEU H H 8.075 0.020 1 226 135 52 LEU C C 176.589 0.3 1 227 135 52 LEU CA C 55.204 0.3 1 228 135 52 LEU CB C 42.001 0.3 1 229 135 52 LEU N N 122.943 0.3 1 230 136 53 ILE H H 7.939 0.020 1 231 136 53 ILE C C 175.583 0.3 1 232 136 53 ILE CA C 60.916 0.3 1 233 136 53 ILE CB C 38.215 0.3 1 234 136 53 ILE N N 122.526 0.3 1 235 137 54 GLN H H 8.243 0.020 1 236 137 54 GLN C C 175.326 0.3 1 237 137 54 GLN CA C 55.505 0.3 1 238 137 54 GLN CB C 29.544 0.3 1 239 137 54 GLN N N 124.623 0.3 1 240 138 55 ASP H H 8.216 0.020 1 241 138 55 ASP C C 175.484 0.3 1 242 138 55 ASP CA C 54.173 0.3 1 243 138 55 ASP CB C 41.051 0.3 1 244 138 55 ASP N N 121.840 0.3 1 245 139 56 MET H H 8.123 0.020 1 246 139 56 MET C C 175.333 0.3 1 247 139 56 MET CA C 55.219 0.3 1 248 139 56 MET CB C 32.968 0.3 1 249 139 56 MET N N 120.751 0.3 1 250 140 57 GLU H H 8.232 0.020 1 251 140 57 GLU C C 175.424 0.3 1 252 140 57 GLU CA C 56.361 0.3 1 253 140 57 GLU CB C 30.115 0.3 1 254 140 57 GLU N N 122.361 0.3 1 255 141 58 ILE H H 8.089 0.020 1 256 141 58 ILE C C 175.167 0.3 1 257 141 58 ILE CA C 60.830 0.3 1 258 141 58 ILE CB C 38.388 0.3 1 259 141 58 ILE N N 123.422 0.3 1 260 142 59 LYS H H 8.300 0.020 1 261 142 59 LYS C C 175.606 0.3 1 262 142 59 LYS CA C 55.885 0.3 1 263 142 59 LYS CB C 33.443 0.3 1 264 142 59 LYS N N 126.967 0.3 1 265 143 60 GLU H H 8.419 0.020 1 266 143 60 GLU C C 175.817 0.3 1 267 143 60 GLU CA C 56.361 0.3 1 268 143 60 GLU CB C 30.115 0.3 1 269 143 60 GLU N N 123.560 0.3 1 270 144 61 GLU H H 8.370 0.020 1 271 144 61 GLU C C 175.401 0.3 1 272 144 61 GLU CA C 56.361 0.3 1 273 144 61 GLU CB C 30.590 0.3 1 274 144 61 GLU N N 121.818 0.3 1 275 145 62 ASP H H 8.258 0.020 1 276 145 62 ASP C C 175.500 0.3 1 277 145 62 ASP CA C 54.165 0.3 1 278 145 62 ASP CB C 41.257 0.3 1 279 145 62 ASP N N 121.700 0.3 1 280 146 63 GLU H H 8.251 0.020 1 281 146 63 GLU C C 175.439 0.3 1 282 146 63 GLU CA C 56.372 0.3 1 283 146 63 GLU CB C 30.115 0.3 1 284 146 63 GLU N N 121.580 0.3 1 285 147 64 ASN H H 8.328 0.020 1 286 147 64 ASN C C 174.115 0.3 1 287 147 64 ASN CA C 53.122 0.3 1 288 147 64 ASN CB C 39.402 0.3 1 289 147 64 ASN N N 119.873 0.3 1 290 148 65 ASP H H 8.186 0.020 1 291 148 65 ASP C C 176.022 0.3 1 292 148 65 ASP CA C 54.165 0.3 1 293 148 65 ASP CB C 41.034 0.3 1 294 148 65 ASP N N 121.435 0.3 1 295 149 66 ASP H H 8.223 0.020 1 296 149 66 ASP C C 176.059 0.3 1 297 149 66 ASP CA C 54.173 0.3 1 298 149 66 ASP CB C 41.051 0.3 1 299 149 66 ASP N N 121.500 0.3 1 300 150 67 THR H H 8.002 0.020 1 301 150 67 THR C C 174.365 0.3 1 302 150 67 THR CA C 62.447 0.3 1 303 150 67 THR CB C 69.674 0.3 1 304 150 67 THR N N 114.163 0.3 1 305 151 68 GLU H H 8.217 0.020 1 306 151 68 GLU C C 176.090 0.3 1 307 151 68 GLU CA C 56.931 0.3 1 308 151 68 GLU CB C 30.115 0.3 1 309 151 68 GLU N N 122.840 0.3 1 310 152 69 GLU H H 8.177 0.020 1 311 152 69 GLU C C 175.916 0.3 1 312 152 69 GLU CA C 56.931 0.3 1 313 152 69 GLU CB C 30.115 0.3 1 314 152 69 GLU N N 121.522 0.3 1 315 153 70 PHE H H 8.078 0.020 1 316 153 70 PHE C C 175.197 0.3 1 317 153 70 PHE CA C 58.548 0.3 1 318 153 70 PHE CB C 39.434 0.3 1 319 153 70 PHE N N 120.750 0.3 1 320 154 71 ASN H H 8.099 0.020 1 321 154 71 ASN C C 174.357 0.3 1 322 154 71 ASN CA C 53.127 0.3 1 323 154 71 ASN CB C 38.863 0.3 1 324 154 71 ASN N N 120.350 0.3 1 325 155 72 ALA H H 8.006 0.020 1 326 155 72 ALA C C 177.406 0.3 1 327 155 72 ALA CA C 53.120 0.3 1 328 155 72 ALA CB C 19.127 0.3 1 329 155 72 ALA N N 124.401 0.3 1 330 156 73 LYS H H 8.039 0.020 1 331 156 73 LYS C C 176.634 0.3 1 332 156 73 LYS CA C 56.404 0.3 1 333 156 73 LYS CB C 32.820 0.3 1 334 156 73 LYS N N 119.461 0.3 1 335 157 74 GLY H H 8.083 0.020 1 336 157 74 GLY C C 173.843 0.3 1 337 157 74 GLY CA C 45.440 0.3 1 338 157 74 GLY N N 109.126 0.3 1 339 158 75 GLY H H 8.034 0.020 1 340 158 75 GLY C C 172.563 0.3 1 341 158 75 GLY CA C 45.485 0.3 1 342 158 75 GLY N N 108.840 0.3 1 343 159 76 LEU H H 7.593 0.020 1 344 159 76 LEU C C 181.922 0.3 1 345 159 76 LEU CA C 56.404 0.3 1 346 159 76 LEU CB C 43.281 0.3 1 347 159 76 LEU N N 126.922 0.3 1 stop_ save_