data_5857 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of human Sip(7-50) ; _BMRB_accession_number 5857 _BMRB_flat_file_name bmr5857.str _Entry_type original _Submission_date 2003-07-03 _Accession_date 2003-07-07 _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 Santelli E. . . 2 Liddington R. . . 3 Preece N. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 190 "13C chemical shifts" 175 "15N chemical shifts" 43 "coupling constants" 6 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-06-26 original author . stop_ _Original_release_date 2006-06-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural analysis of Siah1-Siah-interacting protein interactions and insights into the assembly of an E3 ligase multiprotein complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16085652 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Santelli E. . . 2 Leone M. . . 3 Li C. . . 4 Fukushima T. . . 5 Preece N. E. . 6 Olson A. J. . 7 Ely K. R. . 8 Reed J. C. . 9 Pellecchia M. . . 10 Liddington R. C. . 11 Matsuzawa S. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 34278 _Page_last 34287 _Year 2005 _Details . loop_ _Keyword NMR sip stop_ save_ ################################## # Molecular system description # ################################## save_system_GSH-SIP7-50 _Saveframe_category molecular_system _Mol_system_name GSH-SIP7-50 _Abbreviation_common GSH-shortSIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GSH-SIP7-50 subunit1' $GSH-SIP7-50 'GSH-SIP7-50 subunit2' $GSH-SIP7-50 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'GSH-SIP7-50 subunit1' 1 'GSH-SIP7-50 subunit2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GSH-SIP7-50 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GSH-SIP(short) _Abbreviation_common shSIP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 51 _Mol_residue_sequence ; GSHMAASEELQKDLEEVKVL LEKATRKRVRDALTAEKSKI ETEIKNKMQQK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 1 MET 5 2 ALA 6 3 ALA 7 4 SER 8 5 GLU 9 6 GLU 10 7 LEU 11 8 GLN 12 9 LYS 13 10 ASP 14 11 LEU 15 12 GLU 16 13 GLU 17 14 VAL 18 15 LYS 19 16 VAL 20 17 LEU 21 18 LEU 22 19 GLU 23 20 LYS 24 21 ALA 25 22 THR 26 23 ARG 27 24 LYS 28 25 ARG 29 26 VAL 30 27 ARG 31 28 ASP 32 29 ALA 33 30 LEU 34 31 THR 35 32 ALA 36 33 GLU 37 34 LYS 38 35 SER 39 36 LYS 40 37 ILE 41 38 GLU 42 39 THR 43 40 GLU 44 41 ILE 45 42 LYS 46 43 ASN 47 44 LYS 48 45 MET 49 46 GLN 50 47 GLN 51 48 LYS 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 $GSH-SIP7-50 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 $GSH-SIP7-50 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $GSH-SIP7-50 1.0 mM 1.0 2.0 '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Task collection stop_ _Details 'Varian Inc.' save_ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 loop_ _Task processing 'spectral display' stop_ _Details ; Assign module by accelerys.com. '9685 Scranton Road' 'San Diego' CA 92121-2777 USA ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITYplus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_watergate/presat_H1-H1_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'watergate/presat H1-H1 NOESY' _Sample_label . save_ save_N15-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name N15-HSQC _Sample_label . save_ save_N15-TOCSYHSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name N15-TOCSYHSQC _Sample_label . save_ save_N15-NOESYHSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name N15-NOESYHSQC _Sample_label . save_ save_C13-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name C13-HSQC _Sample_label . save_ save_C(CO)NH/C(CC-TOCSY-CO)N-NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH/C(CC-TOCSY-CO)N-NH _Sample_label . save_ save_H(CCO)NH/H(CC-TOCSY-CO)N-NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH/H(CC-TOCSY-CO)N-NH _Sample_label . save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'watergate/presat H1-H1 NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name N15-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name N15-TOCSYHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name N15-NOESYHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name C13-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH/C(CC-TOCSY-CO)N-NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH/H(CC-TOCSY-CO)N-NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 1.0 0.05 M pH 5.1 0.2 pH temperature 303 0.3 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 of DSS' ppm 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl of DSS' ppm 0.0 internal 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_cs_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'GSH-SIP7-50 subunit1' _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 . 8 GLU CA C 59.319 0.01 1 2 . 8 GLU CB C 29.745 0.01 1 3 . 8 GLU CG C 36.761 0.01 1 4 . 8 GLU HA H 4.130 0.01 1 5 . 8 GLU HB3 H 2.114 0.01 2 6 . 8 GLU HG3 H 2.327 0.01 2 7 . 9 GLU CA C 58.888 0.01 1 8 . 9 GLU CB C 29.313 0.01 1 9 . 9 GLU CG C 36.329 0.01 1 10 . 9 GLU H H 8.015 0.01 1 11 . 9 GLU HA H 3.997 0.01 1 12 . 9 GLU HB3 H 2.110 0.01 2 13 . 9 GLU HG3 H 2.352 0.01 2 14 . 9 GLU N N 118.334 0.01 1 15 . 10 LEU CA C 57.620 0.01 1 16 . 10 LEU CB C 42.915 0.01 1 17 . 10 LEU CD1 C 23.814 0.01 1 18 . 10 LEU CG C 26.211 0.01 1 19 . 10 LEU H H 7.762 0.01 1 20 . 10 LEU HA H 4.376 0.01 1 21 . 10 LEU HB2 H 1.367 0.01 2 22 . 10 LEU HB3 H 1.823 0.01 2 23 . 10 LEU HD1 H 1.023 0.01 2 24 . 10 LEU HD2 H 0.901 0.01 2 25 . 10 LEU N N 118.334 0.01 1 26 . 10 LEU C C 172.582 0.01 1 27 . 11 GLN CA C 59.103 0.01 1 28 . 11 GLN CB C 27.856 0.01 1 29 . 11 GLN CG C 33.631 0.01 1 30 . 11 GLN H H 8.016 0.01 1 31 . 11 GLN HA H 3.949 0.01 1 32 . 11 GLN HB3 H 2.208 0.01 2 33 . 11 GLN HG2 H 2.473 0.01 2 34 . 11 GLN N N 116.484 0.01 1 35 . 12 LYS CA C 59.897 0.01 1 36 . 12 LYS CB C 31.988 0.01 1 37 . 12 LYS CD C 29.845 0.01 1 38 . 12 LYS CE C 42.650 0.01 1 39 . 12 LYS CG C 25.873 0.01 1 40 . 12 LYS H H 7.660 0.01 1 41 . 12 LYS HA H 4.114 0.01 1 42 . 12 LYS HB3 H 2.033 0.01 2 43 . 12 LYS HD2 H 1.672 0.01 2 44 . 12 LYS HE2 H 2.925 0.01 2 45 . 12 LYS HG3 H 1.447 0.01 2 46 . 12 LYS N N 118.705 0.01 1 47 . 12 LYS C C 173.198 0.01 1 48 . 13 ASP CA C 58.662 0.01 1 49 . 13 ASP CB C 41.034 0.01 1 50 . 13 ASP H H 8.026 0.01 1 51 . 13 ASP HA H 4.241 0.01 1 52 . 13 ASP HB2 H 2.311 0.01 2 53 . 13 ASP HB3 H 3.200 0.01 2 54 . 13 ASP N N 121.296 0.01 1 55 . 13 ASP C C 173.399 0.01 1 56 . 14 LEU CA C 57.700 0.01 1 57 . 14 LEU CB C 41.956 0.01 1 58 . 14 LEU CD1 C 24.213 0.01 1 59 . 14 LEU CG C 26.291 0.01 1 60 . 14 LEU H H 8.442 0.01 1 61 . 14 LEU HA H 3.910 0.01 1 62 . 14 LEU HB2 H 1.601 0.01 2 63 . 14 LEU HB3 H 2.145 0.01 2 64 . 14 LEU HD2 H 0.990 0.01 2 65 . 14 LEU N N 119.445 0.01 1 66 . 14 LEU C C 173.581 0.01 1 67 . 15 GLU CA C 59.413 0.01 1 68 . 15 GLU CB C 29.418 0.01 1 69 . 15 GLU CG C 36.190 0.01 1 70 . 15 GLU H H 8.334 0.01 1 71 . 15 GLU HA H 4.005 0.01 1 72 . 15 GLU HB3 H 2.121 0.01 2 73 . 15 GLU HG3 H 2.456 0.01 2 74 . 15 GLU N N 116.114 0.01 1 75 . 15 GLU C C 172.486 0.01 1 76 . 16 GLU CB C 29.961 0.01 1 77 . 16 GLU CG C 39.028 0.01 1 78 . 16 GLU H H 7.533 0.01 1 79 . 16 GLU HA H 4.299 0.01 1 80 . 16 GLU HB3 H 2.146 0.01 2 81 . 16 GLU HG2 H 2.303 0.01 2 82 . 16 GLU N N 117.594 0.01 1 83 . 16 GLU C C 173.184 0.01 1 84 . 17 VAL CA C 67.924 0.01 1 85 . 17 VAL CB C 31.112 0.01 1 86 . 17 VAL CG1 C 23.095 0.01 1 87 . 17 VAL H H 8.336 0.01 1 88 . 17 VAL HA H 3.543 0.01 1 89 . 17 VAL HB H 2.250 0.01 1 90 . 17 VAL HG2 H 1.034 0.01 2 91 . 17 VAL N N 118.334 0.01 1 92 . 17 VAL C C 170.010 0.01 1 93 . 18 LYS CA C 61.032 0.01 1 94 . 18 LYS CB C 32.524 0.01 1 95 . 18 LYS CD C 29.728 0.01 1 96 . 18 LYS CE C 41.946 0.01 1 97 . 18 LYS CG C 26.385 0.01 1 98 . 18 LYS H H 8.148 0.01 1 99 . 18 LYS HA H 3.873 0.01 1 100 . 18 LYS HB2 H 1.702 0.01 2 101 . 18 LYS HB3 H 1.943 0.01 2 102 . 18 LYS HE2 H 2.921 0.01 2 103 . 18 LYS HG2 H 1.346 0.01 2 104 . 18 LYS N N 116.854 0.01 1 105 . 19 VAL CA C 66.389 0.01 1 106 . 19 VAL CB C 32.012 0.01 1 107 . 19 VAL CG1 C 21.218 0.01 1 108 . 19 VAL H H 7.811 0.01 1 109 . 19 VAL HA H 3.816 0.01 1 110 . 19 VAL HG2 H 0.997 0.01 2 111 . 19 VAL N N 119.445 0.01 1 112 . 19 VAL C C 173.804 0.01 1 113 . 20 LEU CA C 57.932 0.01 1 114 . 20 LEU CB C 41.277 0.01 1 115 . 20 LEU CD1 C 22.312 0.01 1 116 . 20 LEU CG C 27.418 0.01 1 117 . 20 LEU H H 8.370 0.01 1 118 . 20 LEU HA H 4.063 0.01 1 119 . 20 LEU HB2 H 1.323 0.01 2 120 . 20 LEU HB3 H 1.941 0.01 2 121 . 20 LEU HD2 H 0.817 0.01 2 122 . 20 LEU N N 118.705 0.01 1 123 . 20 LEU C C 173.568 0.01 1 124 . 21 LEU CA C 58.040 0.01 1 125 . 21 LEU CB C 42.475 0.01 1 126 . 21 LEU CD1 C 25.229 0.01 1 127 . 21 LEU CG C 28.075 0.01 1 128 . 21 LEU H H 8.622 0.01 1 129 . 21 LEU HA H 3.946 0.01 1 130 . 21 LEU HB3 H 1.675 0.01 2 131 . 21 LEU HD2 H 0.887 0.01 2 132 . 21 LEU N N 119.445 0.01 1 133 . 21 LEU C C 172.068 0.01 1 134 . 22 GLU CA C 58.393 0.01 1 135 . 22 GLU CB C 29.843 0.01 1 136 . 22 GLU CG C 36.428 0.01 1 137 . 22 GLU H H 7.356 0.01 1 138 . 22 GLU HA H 4.136 0.01 1 139 . 22 GLU HG2 H 2.171 0.01 2 140 . 22 GLU HG3 H 2.328 0.01 2 141 . 22 GLU N N 115.003 0.01 1 142 . 22 GLU C C 172.856 0.01 1 143 . 23 LYS CA C 55.966 0.01 1 144 . 23 LYS CB C 33.821 0.01 1 145 . 23 LYS CD C 28.867 0.01 1 146 . 23 LYS CE C 42.214 0.01 1 147 . 23 LYS CG C 25.024 0.01 1 148 . 23 LYS H H 7.263 0.01 1 149 . 23 LYS HA H 4.301 0.01 1 150 . 23 LYS HB3 H 1.828 0.01 2 151 . 23 LYS HE2 H 2.966 0.01 2 152 . 23 LYS HG3 H 1.562 0.01 2 153 . 23 LYS N N 115.373 0.01 1 154 . 23 LYS C C 172.199 0.01 1 155 . 24 ALA CA C 52.925 0.01 1 156 . 24 ALA CB C 19.248 0.01 1 157 . 24 ALA H H 7.567 0.01 1 158 . 24 ALA HA H 4.177 0.01 1 159 . 24 ALA HB H 1.320 0.01 1 160 . 24 ALA N N 122.406 0.01 1 161 . 24 ALA C C 175.515 0.01 1 162 . 25 THR CA C 62.521 0.01 1 163 . 25 THR CB C 71.174 0.01 1 164 . 25 THR CG2 C 21.673 0.01 1 165 . 25 THR H H 10.639 0.01 1 166 . 25 THR HA H 4.605 0.01 1 167 . 25 THR HB H 4.224 0.01 1 168 . 25 THR HG2 H 1.243 0.01 1 169 . 25 THR N N 116.854 0.01 1 170 . 25 THR C C 171.427 0.01 1 171 . 26 ARG CD C 40.883 0.01 1 172 . 26 ARG CG C 25.640 0.01 1 173 . 26 ARG H H 9.815 0.01 1 174 . 26 ARG HA H 4.505 0.01 1 175 . 26 ARG HB3 H 1.800 0.01 2 176 . 26 ARG HD2 H 2.990 0.01 2 177 . 26 ARG N N 126.478 0.01 1 178 . 26 ARG C C 170.188 0.01 1 179 . 27 LYS CA C 60.664 0.01 1 180 . 27 LYS CB C 32.892 0.01 1 181 . 27 LYS CD C 28.796 0.01 1 182 . 27 LYS CE C 42.582 0.01 1 183 . 27 LYS CG C 24.800 0.01 1 184 . 27 LYS H H 8.987 0.01 1 185 . 27 LYS HA H 3.803 0.01 1 186 . 27 LYS HB2 H 1.750 0.01 2 187 . 27 LYS HB3 H 1.977 0.01 2 188 . 27 LYS HD2 H 1.615 0.01 2 189 . 27 LYS HE2 H 3.048 0.01 2 190 . 27 LYS HG2 H 1.403 0.01 2 191 . 27 LYS N N 127.959 0.01 1 192 . 27 LYS C C 171.627 0.01 1 193 . 28 ARG CA C 59.322 0.01 1 194 . 28 ARG CB C 30.782 0.01 1 195 . 28 ARG CD C 43.598 0.01 1 196 . 28 ARG CG C 27.146 0.01 1 197 . 28 ARG H H 9.408 0.01 1 198 . 28 ARG HA H 4.153 0.01 1 199 . 28 ARG HB3 H 2.038 0.01 2 200 . 28 ARG HD2 H 3.062 0.01 2 201 . 28 ARG HD3 H 3.210 0.01 2 202 . 28 ARG HG2 H 1.567 0.01 2 203 . 28 ARG N N 115.744 0.01 1 204 . 28 ARG C C 171.802 0.01 1 205 . 29 VAL CA C 66.199 0.01 1 206 . 29 VAL CB C 31.673 0.01 1 207 . 29 VAL CG1 C 23.771 0.01 1 208 . 29 VAL H H 6.784 0.01 1 209 . 29 VAL HA H 3.407 0.01 1 210 . 29 VAL HB H 2.249 0.01 1 211 . 29 VAL HG2 H 0.908 0.01 2 212 . 29 VAL N N 117.594 0.01 1 213 . 29 VAL C C 172.897 0.01 1 214 . 30 ARG CB C 29.917 0.01 1 215 . 30 ARG CD C 43.126 0.01 1 216 . 30 ARG CG C 28.810 0.01 1 217 . 30 ARG H H 8.649 0.01 1 218 . 30 ARG HB3 H 1.812 0.01 2 219 . 30 ARG HD2 H 2.944 0.01 2 220 . 30 ARG HG2 H 1.390 0.01 2 221 . 30 ARG N N 119.275 0.01 1 222 . 30 ARG C C 171.952 0.01 1 223 . 31 ASP CA C 57.641 0.01 1 224 . 31 ASP CB C 39.414 0.01 1 225 . 31 ASP H H 9.170 0.01 1 226 . 31 ASP HA H 4.364 0.01 1 227 . 31 ASP HB2 H 2.612 0.01 2 228 . 31 ASP N N 120.555 0.01 1 229 . 31 ASP C C 174.197 0.01 1 230 . 32 ALA CA C 55.327 0.01 1 231 . 32 ALA CB C 17.077 0.01 1 232 . 32 ALA H H 7.588 0.01 1 233 . 32 ALA HA H 4.298 0.01 1 234 . 32 ALA HB H 1.482 0.01 1 235 . 32 ALA N N 123.147 0.01 1 236 . 32 ALA C C 173.143 0.01 1 237 . 33 LEU CA C 57.823 0.01 1 238 . 33 LEU CB C 41.553 0.01 1 239 . 33 LEU CD1 C 22.147 0.01 1 240 . 33 LEU CD2 C 26.237 0.01 1 241 . 33 LEU CG C 27.646 0.01 1 242 . 33 LEU H H 8.263 0.01 1 243 . 33 LEU HA H 4.072 0.01 1 244 . 33 LEU HB2 H 1.324 0.01 2 245 . 33 LEU HB3 H 1.742 0.01 2 246 . 33 LEU HD1 H 0.745 0.01 2 247 . 33 LEU HD2 H 0.866 0.01 2 248 . 33 LEU N N 117.964 0.01 1 249 . 33 LEU C C 175.753 0.01 1 250 . 34 THR CB C 67.607 0.01 1 251 . 34 THR CG2 C 21.648 0.01 1 252 . 34 THR H H 8.995 0.01 1 253 . 34 THR HG1 H 3.782 0.01 1 254 . 34 THR HG2 H 1.265 0.01 1 255 . 34 THR N N 117.594 0.01 1 256 . 34 THR C C 172.845 0.01 1 257 . 35 ALA CA C 55.188 0.01 1 258 . 35 ALA CB C 17.561 0.01 1 259 . 35 ALA H H 8.043 0.01 1 260 . 35 ALA HA H 4.229 0.01 1 261 . 35 ALA HB H 1.517 0.01 1 262 . 35 ALA N N 123.897 0.01 1 263 . 35 ALA C C 175.679 0.01 1 264 . 36 GLU CA C 58.850 0.01 1 265 . 36 GLU CG C 29.159 0.01 1 266 . 36 GLU H H 7.468 0.01 1 267 . 36 GLU HA H 4.174 0.01 1 268 . 36 GLU HB2 H 1.955 0.01 2 269 . 36 GLU HB3 H 2.067 0.01 2 270 . 36 GLU HG2 H 2.219 0.01 2 271 . 36 GLU N N 119.075 0.01 1 272 . 36 GLU C C 174.854 0.01 1 273 . 37 LYS CA C 60.639 0.01 1 274 . 37 LYS CB C 32.796 0.01 1 275 . 37 LYS CD C 30.483 0.01 1 276 . 37 LYS CE C 41.568 0.01 1 277 . 37 LYS CG C 24.461 0.01 1 278 . 37 LYS H H 8.688 0.01 1 279 . 37 LYS HA H 3.735 0.01 1 280 . 37 LYS HB3 H 1.774 0.01 2 281 . 37 LYS HE2 H 2.791 0.01 2 282 . 37 LYS HG2 H 1.201 0.01 2 283 . 37 LYS HG3 H 1.540 0.01 2 284 . 37 LYS N N 119.715 0.01 1 285 . 37 LYS C C 172.322 0.01 1 286 . 38 SER CA C 52.832 0.01 1 287 . 38 SER CB C 61.730 0.01 1 288 . 38 SER H H 8.165 0.01 1 289 . 38 SER HA H 4.224 0.01 1 290 . 38 SER HB3 H 4.006 0.01 2 291 . 38 SER N N 112.042 0.01 1 292 . 38 SER C C 171.651 0.01 1 293 . 39 LYS CA C 60.435 0.01 1 294 . 39 LYS CB C 32.857 0.01 1 295 . 39 LYS CD C 29.793 0.01 1 296 . 39 LYS CE C 42.261 0.01 1 297 . 39 LYS CG C 25.460 0.01 1 298 . 39 LYS H H 7.764 0.01 1 299 . 39 LYS HA H 4.055 0.01 1 300 . 39 LYS HB2 H 1.701 0.01 2 301 . 39 LYS HB3 H 1.929 0.01 2 302 . 39 LYS HE2 H 2.919 0.01 2 303 . 39 LYS HG3 H 1.427 0.01 2 304 . 39 LYS N N 122.406 0.01 1 305 . 39 LYS C C 171.555 0.01 1 306 . 40 ILE CA C 66.278 0.01 1 307 . 40 ILE CB C 38.376 0.01 1 308 . 40 ILE CG1 C 28.986 0.01 1 309 . 40 ILE CG2 C 15.386 0.01 1 310 . 40 ILE H H 8.519 0.01 1 311 . 40 ILE HA H 3.521 0.01 1 312 . 40 ILE HB H 1.856 0.01 1 313 . 40 ILE HD1 H 0.751 0.01 1 314 . 40 ILE HG12 H 1.012 0.01 2 315 . 40 ILE N N 119.915 0.01 1 316 . 40 ILE C C 173.431 0.01 1 317 . 41 GLU CB C 29.640 0.01 1 318 . 41 GLU CG C 38.311 0.01 1 319 . 41 GLU H H 8.724 0.01 1 320 . 41 GLU HA H 3.854 0.01 1 321 . 41 GLU HG2 H 2.189 0.01 2 322 . 41 GLU HG3 H 2.644 0.01 2 323 . 41 GLU N N 117.224 0.01 1 324 . 41 GLU C C 172.294 0.01 1 325 . 42 THR CA C 55.517 0.01 1 326 . 42 THR CB C 67.161 0.01 1 327 . 42 THR CG2 C 21.732 0.01 1 328 . 42 THR H H 8.180 0.01 1 329 . 42 THR HA H 4.385 0.01 1 330 . 42 THR HG1 H 3.918 0.01 1 331 . 42 THR HG2 H 1.256 0.01 1 332 . 42 THR N N 116.854 0.01 1 333 . 42 THR C C 174.457 0.01 1 334 . 43 GLU CG C 30.092 0.01 1 335 . 43 GLU H H 8.106 0.01 1 336 . 43 GLU HA H 4.048 0.01 1 337 . 43 GLU HB3 H 2.110 0.01 2 338 . 43 GLU HG2 H 2.293 0.01 2 339 . 43 GLU HG3 H 2.521 0.01 2 340 . 43 GLU N N 122.776 0.01 1 341 . 43 GLU C C 164.748 0.01 1 342 . 44 ILE CA C 66.262 0.01 1 343 . 44 ILE CB C 38.803 0.01 1 344 . 44 ILE CG1 C 31.550 0.01 1 345 . 44 ILE CG2 C 14.582 0.01 1 346 . 44 ILE H H 8.579 0.01 1 347 . 44 ILE HA H 3.528 0.01 1 348 . 44 ILE HB H 1.914 0.01 1 349 . 44 ILE HG2 H 0.799 0.01 1 350 . 44 ILE N N 119.325 0.01 1 351 . 44 ILE C C 174.163 0.01 1 352 . 45 LYS CA C 59.618 0.01 1 353 . 45 LYS CB C 32.245 0.01 1 354 . 45 LYS CD C 29.488 0.01 1 355 . 45 LYS CE C 42.195 0.01 1 356 . 45 LYS CG C 25.172 0.01 1 357 . 45 LYS H H 7.803 0.01 1 358 . 45 LYS HA H 4.021 0.01 1 359 . 45 LYS HB2 H 1.701 0.01 2 360 . 45 LYS HB3 H 1.945 0.01 2 361 . 45 LYS HD2 H 1.578 0.01 2 362 . 45 LYS HE2 H 2.955 0.01 2 363 . 45 LYS HG3 H 1.456 0.01 2 364 . 45 LYS N N 119.075 0.01 1 365 . 46 ASN CA C 55.110 0.01 1 366 . 46 ASN CB C 38.596 0.01 1 367 . 46 ASN H H 8.219 0.01 1 368 . 46 ASN HA H 4.554 0.01 1 369 . 46 ASN HB3 H 2.884 0.01 2 370 . 46 ASN N N 116.114 0.01 1 371 . 46 ASN C C 173.294 0.01 1 372 . 47 LYS CA C 57.697 0.01 1 373 . 47 LYS CB C 32.440 0.01 1 374 . 47 LYS CD C 28.878 0.01 1 375 . 47 LYS CE C 42.370 0.01 1 376 . 47 LYS CG C 25.208 0.01 1 377 . 47 LYS H H 7.928 0.01 1 378 . 47 LYS HA H 4.231 0.01 1 379 . 47 LYS HB3 H 1.934 0.01 2 380 . 47 LYS HD3 H 1.678 0.01 2 381 . 47 LYS HE3 H 3.010 0.01 2 382 . 47 LYS HG3 H 1.556 0.01 2 383 . 47 LYS N N 118.705 0.01 1 384 . 48 MET CA C 56.700 0.01 1 385 . 48 MET CG C 32.503 0.01 1 386 . 48 MET H H 7.917 0.01 1 387 . 48 MET HA H 4.396 0.01 1 388 . 48 MET HG2 H 2.624 0.01 2 389 . 48 MET HG3 H 2.739 0.01 2 390 . 48 MET N N 117.224 0.01 1 391 . 48 MET C C 172.158 0.01 1 392 . 49 GLN CA C 56.078 0.01 1 393 . 49 GLN CG C 29.321 0.01 1 394 . 49 GLN H H 7.910 0.01 1 395 . 49 GLN HA H 4.322 0.01 1 396 . 49 GLN HG3 H 2.435 0.01 2 397 . 49 GLN N N 117.964 0.01 1 398 . 49 GLN C C 171.800 0.01 1 399 . 50 GLN CA C 56.066 0.01 1 400 . 50 GLN CG C 2.431 0.01 1 401 . 50 GLN H H 8.090 0.01 1 402 . 50 GLN HA H 4.359 0.01 1 403 . 50 GLN HG3 H 2.431 0.01 2 404 . 50 GLN N N 120.555 0.01 1 405 . 50 GLN C C 175.000 0.01 1 406 . 51 LYS H H 7.997 0.01 1 407 . 51 LYS N N 127.588 0.01 1 408 . 51 LYS C C 169.319 0.01 1 stop_ save_ ######################## # Coupling constants # ######################## save_cc_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'GSH-SIP7-50 subunit1' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 25 THR H 25 THR HA 9.9 . . 1.0 2 3JHNHA 26 ARG H 26 ARG HA 7.3 . . 1.0 3 3JHNHA 27 LYS H 27 LYS HA 5.4 . . 1.0 4 3JHNHA 28 ARG H 28 ARG HA 5.4 . . 1.0 5 3JHNHA 29 VAL H 29 VAL HA 6.4 . . 1.0 6 3JHNHA 31 ASP H 31 ASP HA 3.9 . . 1.0 stop_ save_