data_5199 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H and 15N resonances of the elicitor protein NIP1 ; _BMRB_accession_number 5199 _BMRB_flat_file_name bmr5199.str _Entry_type original _Submission_date 2001-11-02 _Accession_date 2001-11-02 _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 'van't Slot' Klaas A.E. . 2 'van den Burg' Harrold A. . 3 Kloks Cathelijne P.A.M. . 4 Hilbers Cornelis W. . 5 Knogge Wolfgang . . 6 Papavoine Christina H.M. . 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" 325 "15N chemical shifts" 65 "coupling constants" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-06-09 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the fungal plant disease resistance-triggering protein NIP1 shows a novel b sheet fold ; _Citation_status 'in preparation' _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 'van't Slot' Klaas A.E. . 2 'van den Burg' Harrold A. . 3 Kloks Cathelijne P.A.M. . 4 Hilbers Cornelis W. . 5 Knogge Wolfgang . . 6 Papavoine Christina H.M. . stop_ _Journal_abbreviation . _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 . _Details . loop_ _Keyword elicitor 'Rhynchosporium secalis' stop_ save_ ################################## # Molecular system description # ################################## save_system_NIP1 _Saveframe_category molecular_system _Mol_system_name 'necrosis inducing protein' _Abbreviation_common NIP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NIP1 $NIP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'Elicitor of plant defense responses' 'H+ ATPase stimulator' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NIP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Necrosis Inducing Protein 1' _Abbreviation_common NIP1 _Molecular_mass 6434 _Mol_thiol_state 'not reported' _Details 'S23 and G45 are essential for the elicitor function' ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; DRCRYTLCCDGALKAVSACL HESESCLVPGDCCRGKSRLT LCSYGEGGNGFQCPTGYRQC ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 ARG 3 CYS 4 ARG 5 TYR 6 THR 7 LEU 8 CYS 9 CYS 10 ASP 11 GLY 12 ALA 13 LEU 14 LYS 15 ALA 16 VAL 17 SER 18 ALA 19 CYS 20 LEU 21 HIS 22 GLU 23 SER 24 GLU 25 SER 26 CYS 27 LEU 28 VAL 29 PRO 30 GLY 31 ASP 32 CYS 33 CYS 34 ARG 35 GLY 36 LYS 37 SER 38 ARG 39 LEU 40 THR 41 LEU 42 CYS 43 SER 44 TYR 45 GLY 46 GLU 47 GLY 48 GLY 49 ASN 50 GLY 51 PHE 52 GLN 53 CYS 54 PRO 55 THR 56 GLY 57 TYR 58 ARG 59 GLN 60 CYS 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 1KG1 "Nmr Structure Of The Nip1 Elicitor Protein From Rhynchosporium Secalis" 100.00 60 100.00 100.00 1.04e-33 GB AAA86496 "NIP1 [Rhynchosporium secalis]" 100.00 82 100.00 100.00 2.41e-34 GB AAS84297 "NIP1 avirulence protein precursor [Rhynchosporium secalis]" 100.00 82 98.33 98.33 1.41e-33 GB AAS84298 "NIP1 avirulence protein precursor [Rhynchosporium secalis]" 100.00 82 98.33 98.33 1.41e-33 GB AAS84299 "NIP1 avirulence protein precursor [Rhynchosporium secalis]" 100.00 82 98.33 98.33 1.41e-33 GB AAS84300 "NIP1 avirulence protein precursor [Rhynchosporium secalis]" 100.00 82 98.33 98.33 1.41e-33 stop_ 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 disulfide NIP1 3 CYS SG NIP1 19 CYS SG single disulfide NIP1 8 CYS SG NIP1 26 CYS SG single disulfide NIP1 9 CYS SG NIP1 42 CYS SG single disulfide NIP1 32 CYS SG NIP1 53 CYS SG single disulfide NIP1 33 CYS SG NIP1 60 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NIP1 'barley leaf scald fungus' 38038 Eukaryota Fungi Rhynchosporium secalis 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 $NIP1 '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 $NIP1 2.0 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label . save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_CLEAN-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H CLEAN-TOCSY' _Sample_label . save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_HMQCJ_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HMQCJ' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_1H-15N-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-15N NOESY' _Sample_label . save_ save_3D_1H-1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _Sample_label . save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HNHB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H CLEAN-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HMQCJ' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 298 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_nip1.cs _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample-1 stop_ _Sample_conditions_label $conditions1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name NIP1 _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 ASP HA H 4.25 0.02 1 2 . 1 ASP HB2 H 2.84 0.02 2 3 . 1 ASP HB3 H 2.88 0.02 2 4 . 2 ARG N N 121.7 0.08 1 5 . 2 ARG H H 8.62 0.02 1 6 . 2 ARG HA H 4.32 0.02 1 7 . 2 ARG HB2 H 1.70 0.02 2 8 . 2 ARG HB3 H 1.78 0.02 2 9 . 2 ARG HG2 H 1.58 0.02 1 10 . 2 ARG HG3 H 1.58 0.02 1 11 . 2 ARG HD2 H 3.15 0.02 1 12 . 2 ARG HD3 H 3.15 0.02 1 13 . 2 ARG NE N 85.2 0.08 1 14 . 2 ARG HE H 7.10 0.02 1 15 . 3 CYS N N 119.5 0.08 1 16 . 3 CYS H H 8.26 0.02 1 17 . 3 CYS HA H 4.22 0.02 1 18 . 3 CYS HB2 H 1.99 0.02 2 19 . 3 CYS HB3 H 2.44 0.02 2 20 . 4 ARG N N 123.3 0.08 1 21 . 4 ARG H H 8.52 0.02 1 22 . 4 ARG HA H 4.46 0.02 1 23 . 4 ARG HB2 H 1.64 0.02 1 24 . 4 ARG HB3 H 1.64 0.02 1 25 . 4 ARG HG2 H 1.62 0.02 2 26 . 4 ARG HG3 H 1.45 0.02 2 27 . 4 ARG HD2 H 3.11 0.02 1 28 . 4 ARG HD3 H 3.11 0.02 1 29 . 4 ARG NE N 85.1 0.08 1 30 . 4 ARG HE H 7.15 0.02 1 31 . 5 TYR N N 127.9 0.08 1 32 . 5 TYR H H 8.69 0.02 1 33 . 5 TYR HA H 4.74 0.02 1 34 . 5 TYR HB2 H 2.76 0.02 1 35 . 5 TYR HB3 H 2.76 0.02 1 36 . 5 TYR HD1 H 6.71 0.02 1 37 . 5 TYR HD2 H 6.71 0.02 1 38 . 5 TYR HE1 H 6.92 0.02 1 39 . 5 TYR HE2 H 6.92 0.02 1 40 . 6 THR N N 122.2 0.08 1 41 . 6 THR H H 8.86 0.02 1 42 . 6 THR HA H 4.41 0.02 1 43 . 6 THR HB H 3.78 0.02 1 44 . 6 THR HG2 H 1.08 0.02 1 45 . 7 LEU N N 125.4 0.08 1 46 . 7 LEU H H 7.97 0.02 1 47 . 7 LEU HA H 4.81 0.02 1 48 . 7 LEU HB2 H 1.58 0.02 1 49 . 7 LEU HB3 H 1.04 0.02 1 50 . 7 LEU HG H 1.49 0.02 1 51 . 7 LEU HD1 H 0.64 0.02 2 52 . 7 LEU HD2 H 0.76 0.02 2 53 . 8 CYS N N 119.8 0.08 1 54 . 8 CYS H H 8.89 0.02 1 55 . 8 CYS HA H 5.16 0.02 1 56 . 8 CYS HB2 H 2.41 0.02 1 57 . 8 CYS HB3 H 3.04 0.02 1 58 . 9 CYS N N 122.1 0.08 1 59 . 9 CYS H H 9.37 0.02 1 60 . 9 CYS HA H 4.88 0.02 1 61 . 9 CYS HB2 H 2.75 0.02 1 62 . 9 CYS HB3 H 3.28 0.02 1 63 . 10 ASP N N 125.8 0.08 1 64 . 10 ASP H H 9.07 0.02 1 65 . 10 ASP HA H 4.99 0.02 1 66 . 10 ASP HB2 H 2.81 0.02 2 67 . 10 ASP HB3 H 2.97 0.02 2 68 . 11 GLY N N 109.5 0.08 1 69 . 11 GLY H H 8.53 0.02 1 70 . 11 GLY HA2 H 3.20 0.02 2 71 . 11 GLY HA3 H 4.31 0.02 2 72 . 12 ALA N N 123.3 0.08 1 73 . 12 ALA H H 7.72 0.02 1 74 . 12 ALA HA H 4.65 0.02 1 75 . 12 ALA HB H 1.49 0.02 1 76 . 13 LEU N N 121.1 0.08 1 77 . 13 LEU H H 8.40 0.02 1 78 . 13 LEU HA H 4.02 0.02 1 79 . 13 LEU HB2 H 1.60 0.02 2 80 . 13 LEU HB3 H 1.69 0.02 2 81 . 13 LEU HG H 1.58 0.02 1 82 . 13 LEU HD1 H 0.82 0.02 2 83 . 13 LEU HD2 H 0.91 0.02 2 84 . 14 LYS N N 115.7 0.08 1 85 . 14 LYS H H 7.28 0.02 1 86 . 14 LYS HA H 4.50 0.02 1 87 . 14 LYS HB2 H 1.62 0.02 1 88 . 14 LYS HB3 H 1.62 0.02 1 89 . 14 LYS HG2 H 1.39 0.02 1 90 . 14 LYS HG3 H 1.39 0.02 1 91 . 14 LYS HD2 H 1.64 0.02 2 92 . 14 LYS HD3 H 1.71 0.02 2 93 . 14 LYS HE2 H 2.96 0.02 2 94 . 14 LYS HE3 H 3.15 0.02 2 95 . 15 ALA N N 128.1 0.08 1 96 . 15 ALA H H 8.55 0.02 1 97 . 15 ALA HA H 4.42 0.02 1 98 . 15 ALA HB H 1.11 0.02 1 99 . 16 VAL N N 117.6 0.08 1 100 . 16 VAL H H 8.94 0.02 1 101 . 16 VAL HA H 4.43 0.02 1 102 . 16 VAL HB H 2.02 0.02 1 103 . 16 VAL HG1 H 0.80 0.02 2 104 . 16 VAL HG2 H 0.86 0.02 2 105 . 17 SER N N 118.8 0.08 1 106 . 17 SER H H 8.42 0.02 1 107 . 17 SER HA H 4.64 0.02 1 108 . 17 SER HB2 H 3.59 0.02 2 109 . 17 SER HB3 H 3.67 0.02 2 110 . 18 ALA N N 131.0 0.08 1 111 . 18 ALA H H 8.93 0.02 1 112 . 18 ALA HA H 4.51 0.02 1 113 . 18 ALA HB H 1.16 0.02 1 114 . 19 CYS N N 122.3 0.08 1 115 . 19 CYS H H 8.56 0.02 1 116 . 19 CYS HA H 4.13 0.02 1 117 . 19 CYS HB2 H 2.42 0.02 1 118 . 19 CYS HB3 H 3.10 0.02 1 119 . 20 LEU N N 127.9 0.08 1 120 . 20 LEU H H 8.20 0.02 1 121 . 20 LEU HA H 4.42 0.02 1 122 . 20 LEU HB2 H 1.37 0.02 2 123 . 20 LEU HB3 H 1.64 0.02 2 124 . 20 LEU HG H 1.35 0.02 1 125 . 20 LEU HD1 H 0.59 0.02 2 126 . 20 LEU HD2 H 0.72 0.02 2 127 . 21 HIS N N 120.2 0.08 1 128 . 21 HIS H H 8.20 0.02 1 129 . 21 HIS HA H 4.74 0.02 1 130 . 21 HIS HB2 H 2.96 0.02 1 131 . 21 HIS HB3 H 3.38 0.02 1 132 . 21 HIS HD1 H 7.28 0.02 1 133 . 22 GLU N N 121.3 0.08 1 134 . 22 GLU H H 8.96 0.02 1 135 . 22 GLU HA H 4.02 0.02 1 136 . 22 GLU HB2 H 2.07 0.02 1 137 . 22 GLU HB3 H 2.07 0.02 1 138 . 22 GLU HG2 H 2.50 0.02 1 139 . 22 GLU HG3 H 2.50 0.02 1 140 . 23 SER N N 115.6 0.08 1 141 . 23 SER H H 8.43 0.02 1 142 . 23 SER HA H 4.25 0.02 1 143 . 23 SER HB2 H 3.90 0.02 2 144 . 23 SER HB3 H 4.02 0.02 2 145 . 24 GLU N N 121.8 0.08 1 146 . 24 GLU H H 7.80 0.02 1 147 . 24 GLU HA H 4.39 0.02 1 148 . 24 GLU HB2 H 1.97 0.02 2 149 . 24 GLU HB3 H 2.07 0.02 2 150 . 24 GLU HG2 H 2.48 0.02 1 151 . 24 GLU HG3 H 2.48 0.02 1 152 . 25 SER N N 117.1 0.08 1 153 . 25 SER H H 8.42 0.02 1 154 . 25 SER HA H 4.57 0.02 1 155 . 25 SER HB2 H 3.73 0.02 1 156 . 25 SER HB3 H 3.73 0.02 1 157 . 26 CYS N N 117.5 0.08 1 158 . 26 CYS H H 8.26 0.02 1 159 . 26 CYS HA H 4.81 0.02 1 160 . 26 CYS HB2 H 2.89 0.02 2 161 . 26 CYS HB3 H 3.45 0.02 2 162 . 27 LEU N N 124.9 0.08 1 163 . 27 LEU H H 8.59 0.02 1 164 . 27 LEU HA H 4.38 0.02 1 165 . 27 LEU HB2 H 1.45 0.02 2 166 . 27 LEU HB3 H 1.74 0.02 2 167 . 27 LEU HG H 1.26 0.02 1 168 . 27 LEU HD1 H 0.69 0.02 2 169 . 27 LEU HD2 H 0.74 0.02 2 170 . 28 VAL N N 125.3 0.08 1 171 . 28 VAL H H 7.92 0.02 1 172 . 28 VAL HA H 4.63 0.02 1 173 . 28 VAL HB H 2.14 0.02 1 174 . 28 VAL HG1 H 0.94 0.02 2 175 . 28 VAL HG2 H 1.07 0.02 2 176 . 29 PRO HA H 4.53 0.02 1 177 . 29 PRO HB2 H 1.77 0.02 2 178 . 29 PRO HB3 H 1.91 0.02 2 179 . 29 PRO HG2 H 1.49 0.02 2 180 . 29 PRO HG3 H 1.68 0.02 2 181 . 29 PRO HD2 H 3.40 0.02 2 182 . 29 PRO HD3 H 3.63 0.02 2 183 . 30 GLY N N 108.2 0.08 1 184 . 30 GLY H H 8.17 0.02 1 185 . 30 GLY HA2 H 2.50 0.02 2 186 . 30 GLY HA3 H 4.02 0.02 2 187 . 31 ASP N N 117.6 0.08 1 188 . 31 ASP H H 8.18 0.02 1 189 . 31 ASP HA H 5.78 0.02 1 190 . 31 ASP HB2 H 2.73 0.02 1 191 . 31 ASP HB3 H 2.42 0.02 1 192 . 32 CYS N N 120.5 0.08 1 193 . 32 CYS H H 9.06 0.02 1 194 . 32 CYS HA H 5.42 0.02 1 195 . 32 CYS HB2 H 2.44 0.02 1 196 . 32 CYS HB3 H 2.83 0.02 1 197 . 33 CYS N N 122.2 0.08 1 198 . 33 CYS H H 10.06 0.02 1 199 . 33 CYS HA H 5.94 0.02 1 200 . 33 CYS HB2 H 2.91 0.02 2 201 . 33 CYS HB3 H 3.00 0.02 2 202 . 34 ARG N N 123.8 0.08 1 203 . 34 ARG H H 8.20 0.02 1 204 . 34 ARG HA H 4.09 0.02 1 205 . 34 ARG HB2 H 0.37 0.02 1 206 . 34 ARG HB3 H 0.77 0.02 1 207 . 34 ARG HG2 H 0.93 0.02 2 208 . 34 ARG HG3 H 1.25 0.02 2 209 . 34 ARG HD2 H 2.40 0.02 2 210 . 34 ARG HD3 H 2.53 0.02 2 211 . 34 ARG NE N 85.4 0.08 1 212 . 34 ARG HE H 6.77 0.02 1 213 . 35 GLY N N 120.3 0.08 1 214 . 35 GLY H H 9.14 0.02 1 215 . 35 GLY HA2 H 3.60 0.02 2 216 . 35 GLY HA3 H 3.87 0.02 2 217 . 36 LYS N N 127.7 0.08 1 218 . 36 LYS H H 8.94 0.02 1 219 . 36 LYS HA H 4.24 0.02 1 220 . 36 LYS HB2 H 1.65 0.02 2 221 . 36 LYS HB3 H 1.94 0.02 2 222 . 36 LYS HG2 H 1.36 0.02 2 223 . 36 LYS HG3 H 1.96 0.02 2 224 . 36 LYS HD2 H 1.59 0.02 1 225 . 36 LYS HD3 H 1.59 0.02 1 226 . 36 LYS HE2 H 2.92 0.02 1 227 . 36 LYS HE3 H 2.92 0.02 1 228 . 37 SER N N 116.8 0.08 1 229 . 37 SER H H 8.19 0.02 1 230 . 37 SER HA H 4.50 0.02 1 231 . 37 SER HB2 H 3.91 0.02 2 232 . 37 SER HB3 H 4.01 0.02 2 233 . 38 ARG N N 129.8 0.08 1 234 . 38 ARG H H 8.56 0.02 1 235 . 38 ARG HA H 5.27 0.02 1 236 . 38 ARG HB2 H 1.62 0.02 2 237 . 38 ARG HB3 H 1.75 0.02 2 238 . 38 ARG HG2 H 1.33 0.02 2 239 . 38 ARG HG3 H 1.44 0.02 2 240 . 38 ARG HD2 H 3.05 0.02 1 241 . 38 ARG HD3 H 3.05 0.02 1 242 . 38 ARG NE N 84.7 0.08 1 243 . 38 ARG HE H 7.01 0.02 1 244 . 39 LEU N N 127.8 0.08 1 245 . 39 LEU H H 9.40 0.02 1 246 . 39 LEU HA H 4.70 0.02 1 247 . 39 LEU HB2 H 1.29 0.02 1 248 . 39 LEU HB3 H 1.29 0.02 1 249 . 39 LEU HG H 1.42 0.02 1 250 . 39 LEU HD1 H 0.38 0.02 2 251 . 39 LEU HD2 H 0.68 0.02 2 252 . 40 THR N N 119.6 0.08 1 253 . 40 THR H H 8.43 0.02 1 254 . 40 THR HA H 4.99 0.02 1 255 . 40 THR HB H 3.82 0.02 1 256 . 40 THR HG2 H 1.00 0.02 1 257 . 41 LEU N N 127.4 0.08 1 258 . 41 LEU H H 8.94 0.02 1 259 . 41 LEU HA H 4.85 0.02 1 260 . 41 LEU HB2 H 1.33 0.02 2 261 . 41 LEU HB3 H 1.52 0.02 2 262 . 41 LEU HG H 1.53 0.02 1 263 . 41 LEU HD1 H 0.65 0.02 2 264 . 41 LEU HD2 H 0.74 0.02 2 265 . 42 CYS N N 120.1 0.08 1 266 . 42 CYS H H 8.67 0.02 1 267 . 42 CYS HA H 4.81 0.02 1 268 . 42 CYS HB2 H 3.12 0.02 1 269 . 42 CYS HB3 H 2.77 0.02 1 270 . 43 SER N N 116.4 0.08 1 271 . 43 SER H H 7.62 0.02 1 272 . 43 SER HA H 4.29 0.02 1 273 . 43 SER HB2 H 3.34 0.02 1 274 . 43 SER HB3 H 3.34 0.02 1 275 . 44 TYR N N 123.7 0.08 1 276 . 44 TYR H H 8.17 0.02 1 277 . 44 TYR HA H 4.51 0.02 1 278 . 44 TYR HB2 H 2.59 0.02 1 279 . 44 TYR HB3 H 3.06 0.02 1 280 . 44 TYR HD1 H 6.59 0.02 1 281 . 44 TYR HD2 H 6.59 0.02 1 282 . 44 TYR HE1 H 6.97 0.02 1 283 . 44 TYR HE2 H 6.97 0.02 1 284 . 45 GLY N N 110.1 0.08 1 285 . 45 GLY H H 8.22 0.02 1 286 . 45 GLY HA2 H 3.88 0.02 1 287 . 45 GLY HA3 H 3.88 0.02 1 288 . 46 GLU N N 120.6 0.08 1 289 . 46 GLU H H 8.34 0.02 1 290 . 46 GLU HA H 4.28 0.02 1 291 . 46 GLU HB2 H 1.91 0.02 2 292 . 46 GLU HB3 H 2.05 0.02 2 293 . 46 GLU HG2 H 2.39 0.02 1 294 . 46 GLU HG3 H 2.39 0.02 1 295 . 47 GLY N N 111.3 0.08 1 296 . 47 GLY H H 8.61 0.02 1 297 . 47 GLY HA2 H 3.81 0.02 2 298 . 47 GLY HA3 H 3.88 0.02 2 299 . 48 GLY N N 109.4 0.08 1 300 . 48 GLY H H 8.25 0.02 1 301 . 48 GLY HA2 H 3.77 0.02 1 302 . 48 GLY HA3 H 3.77 0.02 1 303 . 49 ASN N N 119.0 0.08 1 304 . 49 ASN H H 8.02 0.02 1 305 . 49 ASN HA H 4.73 0.02 1 306 . 49 ASN HB2 H 2.75 0.02 1 307 . 49 ASN HB3 H 2.75 0.02 1 308 . 49 ASN ND2 N 113.5 0.08 1 309 . 49 ASN HD21 H 6.86 0.02 2 310 . 49 ASN HD22 H 7.48 0.02 2 311 . 50 GLY N N 109.4 0.08 1 312 . 50 GLY H H 8.22 0.02 1 313 . 50 GLY HA2 H 3.89 0.02 1 314 . 50 GLY HA3 H 3.89 0.02 1 315 . 51 PHE N N 122.7 0.08 1 316 . 51 PHE H H 8.25 0.02 1 317 . 51 PHE HA H 4.15 0.02 1 318 . 51 PHE HB2 H 2.75 0.02 2 319 . 51 PHE HB3 H 2.87 0.02 2 320 . 51 PHE HD1 H 6.72 0.02 1 321 . 51 PHE HD2 H 6.72 0.02 1 322 . 51 PHE HE1 H 7.07 0.02 1 323 . 51 PHE HE2 H 7.07 0.02 1 324 . 51 PHE HZ H 7.03 0.02 1 325 . 52 GLN N N 125.6 0.08 1 326 . 52 GLN H H 7.45 0.02 1 327 . 52 GLN HA H 4.30 0.02 1 328 . 52 GLN HB2 H 1.64 0.02 2 329 . 52 GLN HB3 H 1.79 0.02 2 330 . 52 GLN HG2 H 2.13 0.02 1 331 . 52 GLN HG3 H 2.13 0.02 1 332 . 52 GLN NE2 N 113.2 0.08 1 333 . 52 GLN HE21 H 6.71 0.02 2 334 . 52 GLN HE22 H 7.29 0.02 2 335 . 53 CYS N N 121.4 0.08 1 336 . 53 CYS H H 8.59 0.02 1 337 . 53 CYS HA H 4.69 0.02 1 338 . 53 CYS HB2 H 2.56 0.02 2 339 . 53 CYS HB3 H 2.75 0.02 2 340 . 54 PRO HA H 4.39 0.02 1 341 . 54 PRO HB2 H 1.67 0.02 2 342 . 54 PRO HB3 H 2.19 0.02 2 343 . 54 PRO HG2 H 1.26 0.02 2 344 . 54 PRO HG3 H 1.59 0.02 2 345 . 54 PRO HD2 H 2.82 0.02 2 346 . 54 PRO HD3 H 3.51 0.02 2 347 . 55 THR N N 116.7 0.08 1 348 . 55 THR H H 8.21 0.02 1 349 . 55 THR HA H 3.93 0.02 1 350 . 55 THR HB H 4.39 0.02 1 351 . 55 THR HG2 H 1.21 0.02 1 352 . 56 GLY N N 115.5 0.08 1 353 . 56 GLY H H 8.97 0.02 1 354 . 56 GLY HA2 H 3.56 0.02 2 355 . 56 GLY HA3 H 4.25 0.02 2 356 . 57 TYR N N 120.2 0.08 1 357 . 57 TYR H H 8.39 0.02 1 358 . 57 TYR HA H 4.73 0.02 1 359 . 57 TYR HB2 H 3.25 0.02 1 360 . 57 TYR HB3 H 2.49 0.02 1 361 . 57 TYR HD1 H 6.55 0.02 1 362 . 57 TYR HD2 H 6.55 0.02 1 363 . 57 TYR HE1 H 6.63 0.02 1 364 . 57 TYR HE2 H 6.63 0.02 1 365 . 58 ARG N N 119.1 0.08 1 366 . 58 ARG H H 8.90 0.02 1 367 . 58 ARG HA H 4.81 0.02 1 368 . 58 ARG HB2 H 1.82 0.02 1 369 . 58 ARG HB3 H 1.82 0.02 1 370 . 58 ARG HG2 H 1.57 0.02 2 371 . 58 ARG HG3 H 1.72 0.02 2 372 . 58 ARG HD2 H 3.18 0.02 1 373 . 58 ARG HD3 H 3.18 0.02 1 374 . 58 ARG NE N 85.6 0.08 1 375 . 58 ARG HE H 7.16 0.02 1 376 . 59 GLN N N 125.5 0.08 1 377 . 59 GLN H H 9.00 0.02 1 378 . 59 GLN HA H 4.63 0.02 1 379 . 59 GLN HB2 H 2.06 0.02 1 380 . 59 GLN HB3 H 2.06 0.02 1 381 . 59 GLN HG2 H 2.50 0.02 1 382 . 59 GLN HG3 H 2.50 0.02 1 383 . 59 GLN NE2 N 112.0 0.08 1 384 . 59 GLN HE21 H 6.75 0.02 2 385 . 59 GLN HE22 H 7.40 0.02 2 386 . 60 CYS N N 126.6 0.08 1 387 . 60 CYS H H 8.26 0.02 1 388 . 60 CYS HA H 4.81 0.02 1 389 . 60 CYS HB2 H 3.27 0.02 2 390 . 60 CYS HB3 H 3.35 0.02 2 stop_ save_ ######################## # Coupling constants # ######################## save_nip1_J-couplings _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample-1 stop_ _Sample_conditions_label $conditions1 _Spectrometer_frequency_1H 800 _Mol_system_component_name NIP1 _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 4 ARG H 4 ARG HA 10.6 . . 0.9 2 3JHNHA 5 TYR H 5 TYR HA 3.8 . . 0.5 3 3JHNHA 6 THR H 6 THR HA 10.0 . . 1.0 4 3JHNHA 7 LEU H 7 LEU HA 8.9 . . 1.0 5 3JHNHA 8 CYS H 8 CYS HA 10.0 . . 1.0 6 3JHNHA 10 ASP H 10 ASP HA 11.4 . . 2.0 7 3JHNHA 11 GLY H 11 GLY HA 4.0 . . 1.0 8 3JHNHA 12 ALA H 12 ALA HA 9.8 . . 0.3 9 3JHNHA 16 VAL H 16 VAL HA 11.2 . . 1.0 10 3JHNHA 18 ALA H 18 ALA HA 9.8 . . 1.1 11 3JHNHA 19 CYS H 19 CYS HA 9.2 . . 0.9 12 3JHNHA 20 LEU H 20 LEU HA 9.3 . . 0.3 13 3JHNHA 21 HIS H 21 HIS HA 9.3 . . 1.2 14 3JHNHA 23 SER H 23 SER HA 9.0 . . 1.0 15 3JHNHA 25 SER H 25 SER HA 9.0 . . 1.0 16 3JHNHA 26 CYS H 26 CYS HA 8.0 . . 0.4 17 3JHNHA 30 GLY H 30 GLY HA 4.0 . . 0.5 18 3JHNHA 31 ASP H 31 ASP HA 8.5 . . 1.5 19 3JHNHA 32 CYS H 32 CYS HA 11.6 . . 0.5 20 3JHNHA 33 CYS H 33 CYS HA 10.9 . . 0.9 21 3JHNHA 36 LYS H 36 LYS HA 9.6 . . 0.5 22 3JHNHA 37 SER H 37 SER HA 8.8 . . 1.0 23 3JHNHA 38 ARG H 38 ARG HA 10.9 . . 1.3 24 3JHNHA 39 LEU H 39 LEU HA 10.9 . . 1.1 25 3JHNHA 40 THR H 40 THR HA 9.5 . . 1.0 26 3JHNHA 41 LEU H 41 LEU HA 10.0 . . 2.0 27 3JHNHA 42 CYS H 42 CYS HA 10.3 . . 0.6 28 3JHNHA 43 SER H 43 SER HA 9.0 . . 2.0 29 3JHNHA 44 TYR H 44 TYR HA 9.6 . . 0.6 30 3JHNHA 49 ASN H 49 ASN HA 9.1 . . 0.5 31 3JHNHA 52 GLN H 52 GLN HA 9.6 . . 1.2 32 3JHNHA 56 GLY H 56 GLY HA 4.0 . . 1.0 33 3JHNHA 57 TYR H 57 TYR HA 10.1 . . 0.5 34 3JHNHA 58 ARG H 58 ARG HA 10.5 . . 0.5 35 3JHNHA 60 CYS H 60 CYS HA 8.7 . . 1.0 stop_ save_