data_6059 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ras-induced losing of interaction between C1 and RBD domains of Nore1 ; _BMRB_accession_number 6059 _BMRB_flat_file_name bmr6059.str _Entry_type original _Submission_date 2004-01-02 _Accession_date 2004-01-02 _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 Guiberman Elena . . 2 Wohlgemuth Sabine . . 3 Herrmann Christian . . 4 Harjes Stefan . . 5 Muller Karl-Heinz . . 6 Bayer Peter . . 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" 273 "13C chemical shifts" 110 "15N chemical shifts" 55 "coupling constants" 42 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-01 update BMRB 'update entry citation' 2006-01-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'GTP-Ras disrupts the intramolecular complex of C1 and RA domains of Nore1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16698549 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harjes Elena . . 2 Harjes Stefan . . 3 Wohlgemuth Sabine . . 4 Muller Karl-Heinz . . 5 Krieger Elmar . . 6 Herrmann Christian . . 7 Bayer Peter . . stop_ _Journal_abbreviation Structure _Journal_volume 14 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 881 _Page_last 888 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_system_Nore1 _Saveframe_category molecular_system _Mol_system_name Nore1 _Abbreviation_common Nore1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C1 domain, Nore1' $Nore1 'ZINC ION (2+), 1' $ZN 'ZINC ION (2+), 2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'other bound and free' loop_ _Biological_function Ras-effektor Membran-binding Apoptosis stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Nore1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'putative Ras effector' _Abbreviation_common Nore1 _Molecular_mass 8255 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; PRVLAERGEGHRFVELALRG GPGWCDLCGREVLRQALRCA NCKFTCHSECRSLIQLDCR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 108 PRO 2 109 ARG 3 110 VAL 4 111 LEU 5 112 ALA 6 113 GLU 7 114 ARG 8 115 GLY 9 116 GLU 10 117 GLY 11 118 HIS 12 119 ARG 13 120 PHE 14 121 VAL 15 122 GLU 16 123 LEU 17 124 ALA 18 125 LEU 19 126 ARG 20 127 GLY 21 128 GLY 22 129 PRO 23 130 GLY 24 131 TRP 25 132 CYS 26 133 ASP 27 134 LEU 28 135 CYS 29 136 GLY 30 137 ARG 31 138 GLU 32 139 VAL 33 140 LEU 34 141 ARG 35 142 GLN 36 143 ALA 37 144 LEU 38 145 ARG 39 146 CYS 40 147 ALA 41 148 ASN 42 149 CYS 43 150 LYS 44 151 PHE 45 152 THR 46 153 CYS 47 154 HIS 48 155 SER 49 156 GLU 50 157 CYS 51 158 ARG 52 159 SER 53 160 LEU 54 161 ILE 55 162 GLN 56 163 LEU 57 164 ASP 58 165 CYS 59 166 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1RFH "Solution Structure Of The C1 Domain Of Nore1, A Novel Ras Effector" 98.31 59 100.00 100.00 4.76e-32 PDB 2FNF "C1 Domain Of Nore1" 100.00 72 100.00 100.00 2.98e-33 DBJ BAE33312 "unnamed protein product [Mus musculus]" 100.00 413 100.00 100.00 5.24e-33 GB AAC08580 "putative ras effector Nore1 [Mus musculus]" 100.00 413 100.00 100.00 5.74e-33 GB AAH89605 "Ras association (RalGDS/AF-6) domain family member 5 [Mus musculus]" 100.00 413 100.00 100.00 5.24e-33 GB EDL39713 "Ras association (RalGDS/AF-6) domain family 5, isoform CRA_a [Mus musculus]" 100.00 413 100.00 100.00 5.24e-33 GB EDL39714 "Ras association (RalGDS/AF-6) domain family 5, isoform CRA_b [Mus musculus]" 100.00 337 100.00 100.00 6.02e-33 REF NP_061220 "ras association domain-containing protein 5 [Mus musculus]" 100.00 413 100.00 100.00 5.24e-33 SP Q5EBH1 "RecName: Full=Ras association domain-containing protein 5; AltName: Full=New ras effector 1; AltName: Full=Regulator for cell a" 100.00 413 100.00 100.00 5.24e-33 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 16:02:10 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'C1 domain, Nore1' 25 CYS SG 'ZINC ION (2+), 1' 1 ZN ZN single coordination 'C1 domain, Nore1' 28 CYS SG 'ZINC ION (2+), 1' 1 ZN ZN single coordination 'C1 domain, Nore1' 50 CYS SG 'ZINC ION (2+), 1' 1 ZN ZN single coordination 'C1 domain, Nore1' 39 CYS SG 'ZINC ION (2+), 2' 1 ZN ZN single coordination 'C1 domain, Nore1' 42 CYS SG 'ZINC ION (2+), 2' 1 ZN ZN single coordination 'C1 domain, Nore1' 58 CYS SG 'ZINC ION (2+), 2' 1 ZN ZN stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nore1 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $Nore1 '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 _Isotopic_labeling $Nore1 2.0 mM '[U-95% 13C; U-90% 15N]' 'pottasium phosphate puffer' 20.0 mM . NaN3 0.5 mM . DTE 4 mM . stop_ save_ ############################ # Computer software used # ############################ save_Aurelia _Saveframe_category software _Name Aurelia _Version 2.8.11 loop_ _Task 'Visualisation of NMR-Spectra' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer INOVA _Model Varian _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label $sample_1 save_ save_CCONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label $sample_1 save_ save_HCCONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label $sample_1 save_ save_1H-N15_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-N15 TOCSY' _Sample_label $sample_1 save_ save_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-N15 TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.2 pH temperature 300 1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'C1 domain, Nore1' _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 . 1 PRO CA C 63.495 . . 2 . 1 PRO CB C 31.9 . . 3 . 1 PRO HG2 H 2.04 . . 4 . 1 PRO HG3 H 2.04 . . 5 . 1 PRO HD2 H 3.9 . . 6 . 1 PRO HD3 H 3.9 . . 7 . 1 PRO HA H 4.43 . . 8 . 1 PRO HB2 H 2.32 . . 9 . 2 ARG H H 8.453 . . 10 . 2 ARG N N 120.518 . . 11 . 2 ARG CA C 56.806 . . 12 . 2 ARG CB C 29.973 . . 13 . 2 ARG HB3 H 1.84 . . 14 . 2 ARG HG2 H 1.649 . . 15 . 2 ARG HG3 H 1.649 . . 16 . 2 ARG HD2 H 3.214 . . 17 . 2 ARG HD3 H 3.214 . . 18 . 2 ARG HA H 4.2 . . 19 . 2 ARG HB2 H 1.794 . . 20 . 3 VAL H H 7.832 . . 21 . 3 VAL N N 120.235 . . 22 . 3 VAL CA C 62.66 . . 23 . 3 VAL CB C 32.028 . . 24 . 3 VAL HG1 H 0.948 . . 25 . 3 VAL HG2 H 0.92 . . 26 . 3 VAL HA H 4.036 . . 27 . 3 VAL HB H 2.175 . . 28 . 4 LEU H H 8.004 . . 29 . 4 LEU N N 125.183 . . 30 . 4 LEU CA C 55.031 . . 31 . 4 LEU CB C 42.031 . . 32 . 4 LEU HD1 H 0.889 . . 33 . 4 LEU HD2 H 0.889 . . 34 . 4 LEU HG H 1.595 . . 35 . 4 LEU HA H 4.294 . . 36 . 4 LEU HB2 H 1.677 . . 37 . 5 ALA H H 8.036 . . 38 . 5 ALA N N 124.759 . . 39 . 5 ALA CA C 52.106 . . 40 . 5 ALA CB C 18.918 . . 41 . 5 ALA HA H 4.317 . . 42 . 5 ALA HB H 1.43 . . 43 . 6 GLU H H 8.286 . . 44 . 6 GLU N N 120.659 . . 45 . 6 GLU CA C 56.077 . . 46 . 6 GLU CB C 29.698 . . 47 . 6 GLU HG2 H 2.303 . . 48 . 6 GLU HG3 H 2.303 . . 49 . 6 GLU HA H 4.344 . . 50 . 6 GLU HB2 H 2.016 . . 51 . 7 ARG H H 8.303 . . 52 . 7 ARG N N 121.084 . . 53 . 7 ARG CA C 55.808 . . 54 . 7 ARG CB C 30.805 . . 55 . 7 ARG HG2 H 1.72 . . 56 . 7 ARG HG3 H 1.72 . . 57 . 7 ARG HD2 H 3.2 . . 58 . 7 ARG HD3 H 3.2 . . 59 . 7 ARG HA H 4.408 . . 60 . 7 ARG HB2 H 1.9 . . 61 . 8 GLY H H 8.194 . . 62 . 8 GLY N N 110.315 . . 63 . 8 GLY CA C 45.182 . . 64 . 8 GLY HA2 H 3.91 . . 65 . 9 GLU H H 8.677 . . 66 . 9 GLU N N 122.639 . . 67 . 9 GLU CA C 56.12 . . 68 . 9 GLU CB C 31.118 . . 69 . 9 GLU HG2 H 2.271 . . 70 . 9 GLU HG3 H 2.271 . . 71 . 9 GLU HA H 4.402 . . 72 . 9 GLU HB2 H 1.912 . . 73 . 10 GLY H H 8.377 . . 74 . 10 GLY N N 109.184 . . 75 . 10 GLY CA C 44.869 . . 76 . 10 GLY HA3 H 3.74 . . 77 . 10 GLY HA2 H 4.06 . . 78 . 11 HIS H H 8.061 . . 79 . 11 HIS N N 119.08 . . 80 . 11 HIS CA C 55.808 . . 81 . 11 HIS CB C 31.431 . . 82 . 11 HIS HB3 H 2.55 . . 83 . 11 HIS HA H 4.955 . . 84 . 11 HIS HB2 H 2.8 . . 85 . 12 ARG H H 8.904 . . 86 . 12 ARG N N 127.728 . . 87 . 12 ARG CA C 54.245 . . 88 . 12 ARG CB C 31.431 . . 89 . 12 ARG HG2 H 1.53 . . 90 . 12 ARG HG3 H 1.63 . . 91 . 12 ARG HD2 H 3.23 . . 92 . 12 ARG HD3 H 3.23 . . 93 . 12 ARG HA H 4.657 . . 94 . 12 ARG HB2 H 1.83 . . 95 . 13 PHE H H 8.893 . . 96 . 13 PHE N N 123.77 . . 97 . 13 PHE CA C 61.111 . . 98 . 13 PHE CB C 39.857 . . 99 . 13 PHE HA H 4.484 . . 100 . 13 PHE HB2 H 2.852 . . 101 . 14 VAL H H 8.702 . . 102 . 14 VAL N N 121.649 . . 103 . 14 VAL CA C 59.481 . . 104 . 14 VAL CB C 35.064 . . 105 . 14 VAL HG1 H 1.069 . . 106 . 14 VAL HG2 H 0.986 . . 107 . 14 VAL HA H 4.566 . . 108 . 14 VAL HB H 2.276 . . 109 . 15 GLU H H 8.667 . . 110 . 15 GLU N N 124.052 . . 111 . 15 GLU CA C 57.832 . . 112 . 15 GLU CB C 29.756 . . 113 . 15 GLU HG2 H 2.247 . . 114 . 15 GLU HG3 H 2.247 . . 115 . 15 GLU HA H 4.432 . . 116 . 15 GLU HB2 H 1.969 . . 117 . 16 LEU H H 8.488 . . 118 . 16 LEU N N 128.293 . . 119 . 16 LEU CA C 53.199 . . 120 . 16 LEU CB C 44.147 . . 121 . 16 LEU HD1 H 0.817 . . 122 . 16 LEU HD2 H 0.817 . . 123 . 16 LEU HG H 1.27 . . 124 . 16 LEU HA H 4.593 . . 125 . 16 LEU HB2 H 1.53 . . 126 . 17 ALA H H 8.526 . . 127 . 17 ALA N N 130.131 . . 128 . 17 ALA CA C 51.442 . . 129 . 17 ALA CB C 18.344 . . 130 . 17 ALA HA H 4.462 . . 131 . 17 ALA HB H 1.367 . . 132 . 18 LEU H H 8.223 . . 133 . 18 LEU N N 125.89 . . 134 . 18 LEU CA C 54.212 . . 135 . 18 LEU CB C 40.344 . . 136 . 18 LEU HD1 H 0.695 . . 137 . 18 LEU HD2 H 0.695 . . 138 . 18 LEU HG H 1.494 . . 139 . 18 LEU HA H 4.364 . . 140 . 18 LEU HB2 H 1.583 . . 141 . 19 ARG H H 8.293 . . 142 . 19 ARG N N 122.144 . . 143 . 20 GLY CA C 45.518 . . 144 . 20 GLY HA2 H 4.036 . . 145 . 21 GLY H H 7.589 . . 146 . 21 GLY N N 110.066 . . 147 . 21 GLY CA C 43.88 . . 148 . 21 GLY HA3 H 3.99 . . 149 . 21 GLY HA2 H 4.28 . . 150 . 22 PRO CA C 62.677 . . 151 . 22 PRO CB C 32.86 . . 152 . 22 PRO HB3 H 2.05 . . 153 . 22 PRO HA H 4.57 . . 154 . 22 PRO HB2 H 2.26 . . 155 . 23 GLY H H 8.303 . . 156 . 23 GLY N N 108.634 . . 157 . 23 GLY CA C 43.307 . . 158 . 23 GLY HA3 H 3.187 . . 159 . 23 GLY HA2 H 4.41 . . 160 . 24 TRP H H 8.338 . . 161 . 24 TRP N N 122.215 . . 162 . 24 TRP CA C 56.409 . . 163 . 24 TRP CB C 31.743 . . 164 . 24 TRP HA H 4.749 . . 165 . 24 TRP HB2 H 2.893 . . 166 . 25 CYS H H 7.867 . . 167 . 25 CYS N N 126.032 . . 168 . 25 CYS CA C 57.903 . . 169 . 25 CYS CB C 31.118 . . 170 . 25 CYS HB3 H 3.4 . . 171 . 25 CYS HA H 4.075 . . 172 . 25 CYS HB2 H 2.02 . . 173 . 26 ASP H H 9.258 . . 174 . 26 ASP N N 130.273 . . 175 . 26 ASP CA C 56.409 . . 176 . 26 ASP CB C 40.267 . . 177 . 26 ASP HB3 H 1.9 . . 178 . 26 ASP HA H 4.42 . . 179 . 26 ASP HB2 H 1.206 . . 180 . 27 LEU H H 8.862 . . 181 . 27 LEU N N 123.487 . . 182 . 27 LEU CA C 55.495 . . 183 . 27 LEU CB C 42.682 . . 184 . 27 LEU HB3 H 2.0 . . 185 . 27 LEU HD1 H 1.09 . . 186 . 27 LEU HD2 H 1.09 . . 187 . 27 LEU HG H 1.71 . . 188 . 27 LEU HA H 4.875 . . 189 . 27 LEU HB2 H 2.33 . . 190 . 28 CYS H H 8.68 . . 191 . 28 CYS N N 118.68 . . 192 . 28 CYS CA C 58.933 . . 193 . 28 CYS CB C 31.118 . . 194 . 28 CYS HB3 H 3.08 . . 195 . 28 CYS HA H 4.863 . . 196 . 28 CYS HB2 H 3.32 . . 197 . 29 GLY H H 7.93 . . 198 . 29 GLY N N 113.45 . . 199 . 29 GLY CA C 46.432 . . 200 . 29 GLY HA2 H 4.017 . . 201 . 30 ARG H H 7.798 . . 202 . 30 ARG N N 119.116 . . 203 . 30 ARG CA C 54.558 . . 204 . 30 ARG CB C 32.993 . . 205 . 30 ARG HB3 H 1.98 . . 206 . 30 ARG HG2 H 1.75 . . 207 . 30 ARG HG3 H 1.75 . . 208 . 30 ARG HD2 H 3.26 . . 209 . 30 ARG HD3 H 3.26 . . 210 . 30 ARG HA H 4.635 . . 211 . 30 ARG HB2 H 2.05 . . 212 . 31 GLU H H 8.609 . . 213 . 31 GLU N N 120.964 . . 214 . 31 GLU CA C 56.433 . . 215 . 31 GLU CB C 30.18 . . 216 . 31 GLU HB3 H 1.92 . . 217 . 31 GLU HG2 H 2.29 . . 218 . 31 GLU HG3 H 2.29 . . 219 . 31 GLU HA H 3.92 . . 220 . 31 GLU HB2 H 1.65 . . 221 . 32 VAL H H 8.013 . . 222 . 32 VAL N N 124.759 . . 223 . 32 VAL CA C 60.183 . . 224 . 32 VAL CB C 32.64 . . 225 . 32 VAL HG1 H 0.05 . . 226 . 32 VAL HG2 H 0.58 . . 227 . 32 VAL HA H 4.063 . . 228 . 32 VAL HB H 1.12 . . 229 . 33 LEU H H 8.899 . . 230 . 33 LEU N N 126.456 . . 231 . 33 LEU CA C 54.558 . . 232 . 33 LEU CB C 43.309 . . 233 . 33 LEU HD1 H 0.87 . . 234 . 33 LEU HD2 H 0.77 . . 235 . 33 LEU HG H 1.51 . . 236 . 33 LEU HA H 4.524 . . 237 . 34 ARG H H 8.206 . . 238 . 34 ARG N N 116.136 . . 239 . 34 ARG CA C 57.371 . . 240 . 34 ARG CB C 30.493 . . 241 . 34 ARG HG2 H 1.547 . . 242 . 34 ARG HG3 H 1.547 . . 243 . 34 ARG HD2 H 3.26 . . 244 . 34 ARG HD3 H 3.26 . . 245 . 34 ARG HA H 4.296 . . 246 . 34 ARG HB2 H 2 . . 247 . 35 GLN H H 9.027 . . 248 . 35 GLN N N 120.801 . . 249 . 35 GLN CA C 55.808 . . 250 . 35 GLN CB C 28.93 . . 251 . 35 GLN HG2 H 2.307 . . 252 . 35 GLN HG3 H 2.307 . . 253 . 35 GLN HA H 4.418 . . 254 . 35 GLN HB2 H 2.076 . . 255 . 36 ALA H H 8.632 . . 256 . 36 ALA N N 123.911 . . 257 . 36 ALA CA C 50.482 . . 258 . 36 ALA CB C 21.871 . . 259 . 36 ALA HA H 4.647 . . 260 . 36 ALA HB H 1.235 . . 261 . 37 LEU H H 8.716 . . 262 . 37 LEU N N 120.518 . . 263 . 37 LEU CA C 52.981 . . 264 . 37 LEU CB C 45.405 . . 265 . 37 LEU HB3 H 1.185 . . 266 . 37 LEU HD1 H 0.675 . . 267 . 37 LEU HD2 H 0.743 . . 268 . 37 LEU HG H 1.514 . . 269 . 37 LEU HA H 5.26 . . 270 . 37 LEU HB2 H 1.85 . . 271 . 38 ARG H H 9.189 . . 272 . 38 ARG N N 120.135 . . 273 . 38 ARG CA C 53.778 . . 274 . 38 ARG CB C 34.556 . . 275 . 38 ARG HB3 H 1.73 . . 276 . 38 ARG HG2 H 1.412 . . 277 . 38 ARG HG3 H 1.412 . . 278 . 38 ARG HD2 H 3.06 . . 279 . 38 ARG HD3 H 2.99 . . 280 . 38 ARG HA H 5.829 . . 281 . 38 ARG HB2 H 1.67 . . 282 . 39 CYS H H 9.44 . . 283 . 39 CYS N N 132.676 . . 284 . 39 CYS CA C 58.51 . . 285 . 39 CYS CB C 29.03 . . 286 . 39 CYS HB3 H 1.98 . . 287 . 39 CYS HA H 4.172 . . 288 . 39 CYS HB2 H 3.116 . . 289 . 40 ALA H H 9.119 . . 290 . 40 ALA N N 134.633 . . 291 . 40 ALA CA C 53.927 . . 292 . 40 ALA CB C 18.87 . . 293 . 40 ALA HA H 4.203 . . 294 . 40 ALA HB H 1.502 . . 295 . 41 ASN H H 8.983 . . 296 . 41 ASN N N 117.691 . . 297 . 41 ASN CA C 54.458 . . 298 . 41 ASN CB C 39.678 . . 299 . 41 ASN HA H 4.759 . . 300 . 41 ASN HB2 H 2.811 . . 301 . 42 CYS H H 8.152 . . 302 . 42 CYS N N 119.104 . . 303 . 42 CYS CA C 58.969 . . 304 . 42 CYS CB C 32.368 . . 305 . 42 CYS HB3 H 3.5 . . 306 . 42 CYS HA H 5.044 . . 307 . 42 CYS HB2 H 3.1 . . 308 . 43 LYS H H 7.762 . . 309 . 43 LYS N N 117.384 . . 310 . 43 LYS CA C 58.364 . . 311 . 43 LYS CB C 29.071 . . 312 . 43 LYS HG2 H 1.3 . . 313 . 43 LYS HG3 H 1.2 . . 314 . 43 LYS HD2 H 1.63 . . 315 . 43 LYS HD3 H 1.55 . . 316 . 43 LYS HE2 H 2.95 . . 317 . 43 LYS HE3 H 2.95 . . 318 . 43 LYS HA H 4.06 . . 319 . 43 LYS HB2 H 2.32 . . 320 . 44 PHE H H 8.516 . . 321 . 44 PHE N N 125.89 . . 322 . 44 PHE CA C 60.164 . . 323 . 44 PHE CB C 40.036 . . 324 . 44 PHE HB3 H 3.69 . . 325 . 44 PHE HA H 4.34 . . 326 . 44 PHE HB2 H 2.764 . . 327 . 45 THR H H 9.529 . . 328 . 45 THR N N 129.698 . . 329 . 45 THR CA C 62.128 . . 330 . 45 THR CB C 70.801 . . 331 . 45 THR HG2 H 1.13 . . 332 . 45 THR HA H 5.569 . . 333 . 45 THR HB H 4.22 . . 334 . 46 CYS H H 9.686 . . 335 . 46 CYS N N 120.072 . . 336 . 46 CYS CA C 54.273 . . 337 . 46 CYS CB C 33.163 . . 338 . 46 CYS HB3 H 3.22 . . 339 . 46 CYS HA H 6.376 . . 340 . 46 CYS HB2 H 2.837 . . 341 . 47 HIS H H 8.101 . . 342 . 47 HIS N N 117.549 . . 343 . 47 HIS CA C 58.869 . . 344 . 47 HIS CB C 30.678 . . 345 . 47 HIS HB3 H 3.663 . . 346 . 47 HIS HA H 4.591 . . 347 . 47 HIS HB2 H 3.729 . . 348 . 48 SER CA C 61.741 . . 349 . 48 SER CB C 62.363 . . 350 . 48 SER HB2 H 3.954 . . 351 . 49 GLU H H 9.887 . . 352 . 49 GLU N N 119.622 . . 353 . 49 GLU CA C 58.93 . . 354 . 49 GLU CB C 28.302 . . 355 . 49 GLU HG2 H 2.43 . . 356 . 49 GLU HG3 H 2.43 . . 357 . 49 GLU HA H 4.233 . . 358 . 49 GLU HB2 H 2.06 . . 359 . 50 CYS H H 7.396 . . 360 . 50 CYS N N 118.774 . . 361 . 50 CYS CA C 61.118 . . 362 . 50 CYS CB C 30.49 . . 363 . 50 CYS HB3 H 2.95 . . 364 . 50 CYS HA H 4.307 . . 365 . 50 CYS HB2 H 3.28 . . 366 . 51 ARG H H 7.054 . . 367 . 51 ARG N N 121.036 . . 368 . 51 ARG CA C 59.326 . . 369 . 51 ARG CB C 29.543 . . 370 . 51 ARG HB3 H 1.64 . . 371 . 51 ARG HG2 H 1.15 . . 372 . 51 ARG HG3 H 0.98 . . 373 . 51 ARG HD2 H 2.64 . . 374 . 51 ARG HD3 H 2.88 . . 375 . 51 ARG HA H 3.74 . . 376 . 51 ARG HB2 H 1.475 . . 377 . 52 SER H H 8.355 . . 378 . 52 SER N N 112.743 . . 379 . 52 SER CA C 59.692 . . 380 . 52 SER CB C 62.388 . . 381 . 52 SER HB3 H 3.94 . . 382 . 52 SER HA H 4.783 . . 383 . 52 SER HB2 H 4.172 . . 384 . 53 LEU H H 7.503 . . 385 . 53 LEU N N 120.916 . . 386 . 53 LEU CA C 54.179 . . 387 . 53 LEU CB C 41.821 . . 388 . 53 LEU HD1 H 0.96 . . 389 . 53 LEU HD2 H 0.96 . . 390 . 53 LEU HG H 1.87 . . 391 . 53 LEU HA H 4.403 . . 392 . 53 LEU HB2 H 1.58 . . 393 . 54 ILE H H 7.088 . . 394 . 54 ILE N N 120.38 . . 395 . 54 ILE CA C 62.944 . . 396 . 54 ILE CB C 38.522 . . 397 . 54 ILE HG2 H 0.68 . . 398 . 54 ILE HA H 3.721 . . 399 . 54 ILE HB H 1.714 . . 400 . 55 GLN H H 8.826 . . 401 . 55 GLN N N 127.281 . . 402 . 55 GLN CA C 55.031 . . 403 . 55 GLN CB C 29.985 . . 404 . 55 GLN HG2 H 2.433 . . 405 . 55 GLN HG3 H 2.433 . . 406 . 55 GLN HA H 4.485 . . 407 . 55 GLN HB2 H 1.89 . . 408 . 56 LEU H H 7.086 . . 409 . 56 LEU N N 121.319 . . 410 . 56 LEU CA C 54.486 . . 411 . 56 LEU CB C 43.611 . . 412 . 56 LEU HD1 H 1.017 . . 413 . 56 LEU HD2 H 1.017 . . 414 . 56 LEU HG H 1.8 . . 415 . 56 LEU HA H 4.479 . . 416 . 56 LEU HB2 H 1.58 . . 417 . 57 ASP H H 8.779 . . 418 . 57 ASP N N 125.843 . . 419 . 57 ASP CA C 53.617 . . 420 . 57 ASP CB C 41.116 . . 421 . 57 ASP HA H 4.513 . . 422 . 57 ASP HB2 H 2.558 . . 423 . 58 CYS H H 7.925 . . 424 . 58 CYS N N 124.146 . . 425 . 58 CYS CA C 60.805 . . 426 . 58 CYS CB C 28.302 . . 427 . 58 CYS HB3 H 1.09 . . 428 . 58 CYS HB2 H 2.4 . . 429 . 59 ARG H H 7.85 . . 430 . 59 ARG N N 131.969 . . 431 . 59 ARG CA C 57.075 . . 432 . 59 ARG CB C 31.553 . . 433 . 59 ARG HG2 H 3.86 . . 434 . 59 ARG HG3 H 3.16 . . 435 . 59 ARG HD2 H 1.55 . . 436 . 59 ARG HD3 H 1.55 . . 437 . 59 ARG HA H 4.202 . . 438 . 59 ARG HB2 H 1.81 . . stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'C1 domain, Nore1' _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 2 ARG H 2 ARG HA 5.60 . . 0.560 2 3JHNHA 3 VAL H 3 VAL HA 6.45 . . 0.645 3 3JHNHA 4 LEU H 4 LEU HA 5.61 . . 0.561 4 3JHNHA 6 GLU H 6 GLU HA 5.94 . . 0.594 5 3JHNHA 8 GLY H 8 GLY HA 5.42 . . 0.542 6 3JHNHA 9 GLU H 9 GLU HA 6.49 . . 0.649 7 3JHNHA 10 GLY H 10 GLY HA 4.82 . . 0.482 8 3JHNHA 12 ARG H 12 ARG HA 8.10 . . 0.810 9 3JHNHA 14 VAL H 14 VAL HA 8.68 . . 0.868 10 3JHNHA 15 GLU H 15 GLU HA 3.66 . . 0.366 11 3JHNHA 16 LEU H 16 LEU HA 7.77 . . 0.777 12 3JHNHA 17 ALA H 17 ALA HA 5.57 . . 0.557 13 3JHNHA 18 LEU H 18 LEU HA 6.56 . . 0.656 14 3JHNHA 21 GLY H 21 GLY HA 4.60 . . 0.460 15 3JHNHA 23 GLY H 23 GLY HA 6.70 . . 0.670 16 3JHNHA 24 TRP H 24 TRP HA 7.90 . . 0.790 17 3JHNHA 25 CYS H 25 CYS HA 5.41 . . 0.541 18 3JHNHA 26 ASP H 26 ASP HA 4.62 . . 0.462 19 3JHNHA 28 CYS H 28 CYS HA 7.07 . . 0.707 20 3JHNHA 29 GLY H 29 GLY HA 5.20 . . 0.520 21 3JHNHA 30 ARG H 30 ARG HA 7.56 . . 0.756 22 3JHNHA 31 GLU H 31 GLU HA 2.67 . . 0.267 23 3JHNHA 33 LEU H 33 LEU HA 7.21 . . 0.721 24 3JHNHA 34 ARG H 34 ARG HA 5.93 . . 0.593 25 3JHNHA 35 GLN H 35 GLN HA 6.20 . . 0.620 26 3JHNHA 36 ALA H 36 ALA HA 6.46 . . 0.646 27 3JHNHA 37 LEU H 37 LEU HA 7.95 . . 0.795 28 3JHNHA 38 ARG H 38 ARG HA 7.27 . . 0.727 29 3JHNHA 39 CYS H 39 CYS HA 4.52 . . 0.452 30 3JHNHA 40 ALA H 40 ALA HA 3.20 . . 0.320 31 3JHNHA 41 ASN H 41 ASN HA 8.06 . . 0.806 32 3JHNHA 42 CYS H 42 CYS HA 6.76 . . 0.676 33 3JHNHA 43 LYS H 43 LYS HA 5.98 . . 0.598 34 3JHNHA 44 PHE H 44 PHE HA 2.31 . . 0.231 35 3JHNHA 45 THR H 45 THR HA 8.30 . . 0.830 36 3JHNHA 46 CYS H 46 CYS HA 6.74 . . 0.674 37 3JHNHA 47 HIS H 47 HIS HA 4.40 . . 0.440 38 3JHNHA 50 CYS H 50 CYS HA 7.49 . . 0.749 39 3JHNHA 53 LEU H 53 LEU HA 7.21 . . 0.721 40 3JHNHA 55 GLN H 55 GLN HA 7.30 . . 0.730 41 3JHNHA 57 ASP H 57 ASP HA 5.22 . . 0.522 42 3JHNHA 59 ARG H 59 ARG HA 6.66 . . 0.666 stop_ save_