data_5236 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical Shift Assignments for the tandem inactivation domain of Kv1.4 (RCK4(1-75)) ; _BMRB_accession_number 5236 _BMRB_flat_file_name bmr5236.str _Entry_type original _Submission_date 2001-12-18 _Accession_date 2001-12-18 _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 Wissmann Ralph . . 2 Bildl Wolfgang . . 3 Oliver Dominik . . 4 Jonas Peter . . 5 Bentrop Detlef . . 6 Fakler Bernd . . 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" 333 "15N chemical shifts" 76 "coupling constants" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-04-30 original author . stop_ _Original_release_date 2003-04-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure and Function of the "Tandem Inactivation Domain" of the Neuronal A-type Potassium Channel Kv1.4. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12590144 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wissmann Ralph . . 2 Bildl Wolfgang . . 3 Oliver Dominik . . 4 Beyermann M. . . 5 Kalbitzer H. R. . 6 Bentrop Detlef . . 7 Fakler Bernd . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 278 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16142 _Page_last 16150 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_RCK4 _Saveframe_category molecular_system _Mol_system_name RCK4 _Abbreviation_common RCK4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RCK4(1-75) $RCK4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; N-terminal tandem inactivation domain of the voltage-gated potassium channel Kv1.4 (RCK4). ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RCK4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RCK4 _Abbreviation_common Kv1.4 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GSTMEVAMVSAESSGCNSHM PYGYAAQARARERERLAHSR AAAAAAVAAATAAVEGTGGS GGGPHHHHQTRGAYSSHD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 THR 4 MET 5 GLU 6 VAL 7 ALA 8 MET 9 VAL 10 SER 11 ALA 12 GLU 13 SER 14 SER 15 GLY 16 CYS 17 ASN 18 SER 19 HIS 20 MET 21 PRO 22 TYR 23 GLY 24 TYR 25 ALA 26 ALA 27 GLN 28 ALA 29 ARG 30 ALA 31 ARG 32 GLU 33 ARG 34 GLU 35 ARG 36 LEU 37 ALA 38 HIS 39 SER 40 ARG 41 ALA 42 ALA 43 ALA 44 ALA 45 ALA 46 ALA 47 VAL 48 ALA 49 ALA 50 ALA 51 THR 52 ALA 53 ALA 54 VAL 55 GLU 56 GLY 57 THR 58 GLY 59 GLY 60 SER 61 GLY 62 GLY 63 GLY 64 PRO 65 HIS 66 HIS 67 HIS 68 HIS 69 GLN 70 THR 71 ARG 72 GLY 73 ALA 74 TYR 75 SER 76 SER 77 HIS 78 ASP 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 BMRB 19426 kv14_pep61 78.21 63 100.00 100.00 4.83e-31 PDB 1KN7 "Solution Structure Of The Tandem Inactivation Domain (Residues 1-75) Of Potassium Channel Rck4 (Kv1.4)" 100.00 78 100.00 100.00 2.06e-44 DBJ BAC29309 "unnamed protein product [Mus musculus]" 96.15 654 100.00 100.00 1.67e-40 EMBL CAA34133 "unnamed protein product [Rattus rattus]" 96.15 655 100.00 100.00 1.26e-40 GB AAA41469 "potassium channel protein [Rattus norvegicus]" 96.15 654 98.67 98.67 4.31e-40 GB AAB60668 "voltage-gated potassium channel [Mus musculus]" 96.15 654 100.00 100.00 1.56e-40 GB AAI09015 "Potassium voltage-gated channel, shaker-related subfamily, member 4 [Mus musculus]" 96.15 654 100.00 100.00 1.67e-40 GB EDL27774 "potassium voltage-gated channel, shaker-related subfamily, member 4 [Mus musculus]" 96.15 654 100.00 100.00 1.67e-40 GB EDL79747 "rCG27152 [Rattus norvegicus]" 96.15 654 100.00 100.00 1.69e-40 REF NP_037103 "potassium voltage-gated channel subfamily A member 4 [Rattus norvegicus]" 96.15 654 98.67 98.67 4.31e-40 REF NP_067250 "potassium voltage-gated channel subfamily A member 4 [Mus musculus]" 96.15 654 100.00 100.00 1.67e-40 REF XP_003497608 "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Cricetulus griseus]" 96.15 654 97.33 97.33 2.61e-38 REF XP_005064870 "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Mesocricetus auratus]" 96.15 654 100.00 100.00 1.50e-40 REF XP_005364106 "PREDICTED: potassium voltage-gated channel subfamily A member 4 [Microtus ochrogaster]" 96.15 654 100.00 100.00 1.43e-40 SP P15385 "RecName: Full=Potassium voltage-gated channel subfamily A member 4; AltName: Full=RCK4; AltName: Full=RHK1; AltName: Full=RK3; " 96.15 655 100.00 100.00 1.26e-40 SP Q61423 "RecName: Full=Potassium voltage-gated channel subfamily A member 4; AltName: Full=Voltage-gated potassium channel subunit Kv1.4" 96.15 654 100.00 100.00 1.67e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $RCK4 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus KCNA4 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $RCK4 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET41a 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 $RCK4 . mM 0.8 1.0 '[U-98% 15N]' 'sodium phosphate' 50 mM . . . DTT 10 mM . . . 'pefablock SC' 1 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_2D_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.4 0.2 n/a temperature 283 0.5 K 'ionic strength' 0.05 . M 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name RCK4(1-75) _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 SER N N 116.0 0.1 1 2 . 2 SER H H 8.81 0.02 1 3 . 2 SER HB2 H 3.92 0.02 1 4 . 2 SER HB3 H 3.92 0.02 1 5 . 3 THR N N 116.7 0.1 1 6 . 3 THR H H 8.48 0.02 1 7 . 3 THR HA H 4.38 0.02 1 8 . 3 THR HB H 4.24 0.02 1 9 . 3 THR HG2 H 1.25 0.02 1 10 . 4 MET N N 123.1 0.1 1 11 . 4 MET H H 8.53 0.02 1 12 . 4 MET HA H 4.50 0.02 1 13 . 4 MET HB2 H 2.06 0.02 2 14 . 4 MET HB3 H 1.96 0.02 2 15 . 4 MET HG2 H 2.56 0.02 1 16 . 4 MET HG3 H 2.56 0.02 1 17 . 5 GLU N N 123.1 0.1 1 18 . 5 GLU H H 8.48 0.02 1 19 . 5 GLU HA H 4.35 0.02 1 20 . 5 GLU HB2 H 2.03 0.02 2 21 . 5 GLU HB3 H 1.94 0.02 2 22 . 5 GLU HG2 H 2.35 0.02 1 23 . 5 GLU HG3 H 2.35 0.02 1 24 . 6 VAL N N 122.4 0.1 1 25 . 6 VAL H H 8.31 0.02 1 26 . 6 VAL HA H 4.05 0.02 1 27 . 6 VAL HB H 2.05 0.02 1 28 . 6 VAL HG1 H 0.94 0.02 2 29 . 6 VAL HG2 H 0.79 0.02 2 30 . 7 ALA N N 128.0 0.1 1 31 . 7 ALA H H 8.47 0.02 1 32 . 7 ALA HA H 4.31 0.02 1 33 . 7 ALA HB H 1.38 0.02 1 34 . 8 MET N N 120.7 0.1 1 35 . 8 MET H H 8.44 0.02 1 36 . 8 MET HA H 4.46 0.02 1 37 . 8 MET HB2 H 2.06 0.02 2 38 . 8 MET HB3 H 1.99 0.02 2 39 . 8 MET HG2 H 2.62 0.02 2 40 . 8 MET HG3 H 2.55 0.02 2 41 . 9 VAL N N 122.4 0.1 1 42 . 9 VAL H H 8.29 0.02 1 43 . 9 VAL HA H 4.13 0.02 1 44 . 9 VAL HB H 2.09 0.02 1 45 . 9 VAL HG1 H 0.94 0.02 1 46 . 9 VAL HG2 H 0.94 0.02 1 47 . 10 SER N N 119.9 0.1 1 48 . 10 SER H H 8.52 0.02 1 49 . 10 SER HA H 4.44 0.02 1 50 . 10 SER HB2 H 3.89 0.02 1 51 . 10 SER HB3 H 3.89 0.02 1 52 . 11 ALA N N 126.7 0.1 1 53 . 11 ALA H H 8.56 0.02 1 54 . 11 ALA HA H 4.33 0.02 1 55 . 11 ALA HB H 1.42 0.02 1 56 . 12 GLU N N 119.4 0.1 1 57 . 12 GLU H H 8.43 0.02 1 58 . 12 GLU HA H 4.33 0.02 1 59 . 12 GLU HB2 H 2.11 0.02 2 60 . 12 GLU HB3 H 1.99 0.02 2 61 . 12 GLU HG2 H 2.41 0.02 1 62 . 12 GLU HG3 H 2.41 0.02 1 63 . 13 SER N N 116.7 0.1 1 64 . 13 SER H H 8.37 0.02 1 65 . 13 SER HA H 4.48 0.02 1 66 . 13 SER HB2 H 3.92 0.02 1 67 . 13 SER HB3 H 3.92 0.02 1 68 . 14 SER N N 117.9 0.1 1 69 . 14 SER H H 8.44 0.02 1 70 . 14 SER HA H 4.48 0.02 1 71 . 14 SER HB2 H 3.96 0.02 1 72 . 14 SER HB3 H 3.96 0.02 1 73 . 15 GLY N N 110.7 0.1 1 74 . 15 GLY H H 8.51 0.02 1 75 . 15 GLY HA2 H 4.02 0.02 1 76 . 15 GLY HA3 H 4.02 0.02 1 77 . 16 CYS N N 119.0 0.1 1 78 . 16 CYS H H 8.31 0.02 1 79 . 16 CYS HA H 4.49 0.02 1 80 . 16 CYS HB2 H 2.93 0.02 1 81 . 16 CYS HB3 H 2.93 0.02 1 82 . 17 ASN N N 121.4 0.1 1 83 . 17 ASN H H 8.63 0.02 1 84 . 17 ASN HA H 4.76 0.02 1 85 . 17 ASN HB2 H 2.91 0.02 2 86 . 17 ASN HB3 H 2.79 0.02 2 87 . 17 ASN ND2 N 113.4 0.1 1 88 . 17 ASN HD21 H 7.70 0.02 2 89 . 17 ASN HD22 H 7.02 0.02 2 90 . 18 SER N N 116.4 0.1 1 91 . 18 SER H H 8.27 0.02 1 92 . 18 SER HA H 4.34 0.02 1 93 . 18 SER HB2 H 3.81 0.02 1 94 . 18 SER HB3 H 3.81 0.02 1 95 . 19 HIS N N 119.7 0.1 1 96 . 19 HIS H H 8.57 0.02 1 97 . 19 HIS HA H 4.72 0.02 1 98 . 19 HIS HB2 H 3.32 0.02 2 99 . 19 HIS HB3 H 3.17 0.02 2 100 . 20 MET N N 122.2 0.1 1 101 . 20 MET H H 8.33 0.02 1 102 . 20 MET HA H 4.76 0.02 1 103 . 20 MET HB2 H 1.90 0.02 1 104 . 20 MET HB3 H 1.90 0.02 1 105 . 20 MET HG2 H 2.49 0.02 1 106 . 20 MET HG3 H 2.49 0.02 1 107 . 21 PRO HA H 4.39 0.02 1 108 . 21 PRO HB2 H 2.28 0.02 2 109 . 21 PRO HB3 H 1.99 0.02 2 110 . 21 PRO HG2 H 1.83 0.02 1 111 . 21 PRO HG3 H 1.83 0.02 1 112 . 22 TYR N N 121.4 0.1 1 113 . 22 TYR H H 8.53 0.02 1 114 . 22 TYR HA H 4.48 0.02 1 115 . 22 TYR HB2 H 3.03 0.02 1 116 . 22 TYR HB3 H 3.03 0.02 1 117 . 22 TYR HD1 H 7.14 0.02 1 118 . 22 TYR HD2 H 7.14 0.02 1 119 . 23 GLY N N 111.9 0.1 1 120 . 23 GLY H H 8.48 0.02 1 121 . 23 GLY HA2 H 3.97 0.02 2 122 . 23 GLY HA3 H 3.80 0.02 2 123 . 24 TYR N N 121.1 0.1 1 124 . 24 TYR H H 8.10 0.02 1 125 . 24 TYR HA H 4.26 0.02 1 126 . 24 TYR HB2 H 3.07 0.02 1 127 . 24 TYR HB3 H 3.07 0.02 1 128 . 24 TYR HD1 H 7.13 0.02 1 129 . 24 TYR HD2 H 7.13 0.02 1 130 . 24 TYR HE1 H 6.80 0.02 1 131 . 24 TYR HE2 H 6.80 0.02 1 132 . 25 ALA N N 124.1 0.1 1 133 . 25 ALA H H 8.53 0.02 1 134 . 25 ALA HA H 4.13 0.02 1 135 . 25 ALA HB H 1.42 0.02 1 136 . 26 ALA N N 121.8 0.1 1 137 . 26 ALA H H 8.22 0.02 1 138 . 26 ALA HA H 4.09 0.02 1 139 . 26 ALA HB H 1.42 0.02 1 140 . 27 GLN N N 119.4 0.1 1 141 . 27 GLN H H 8.15 0.02 1 142 . 27 GLN HA H 4.15 0.02 1 143 . 27 GLN HB2 H 2.08 0.02 1 144 . 27 GLN HB3 H 2.08 0.02 1 145 . 27 GLN HG2 H 2.46 0.02 2 146 . 27 GLN HG3 H 2.36 0.02 2 147 . 27 GLN NE2 N 112.2 0.1 1 148 . 27 GLN HE21 H 7.51 0.02 2 149 . 27 GLN HE22 H 6.95 0.02 2 150 . 28 ALA N N 123.7 0.1 1 151 . 28 ALA H H 8.21 0.02 1 152 . 28 ALA HA H 4.07 0.02 1 153 . 28 ALA HB H 1.39 0.02 1 154 . 29 ARG N N 119.2 0.1 1 155 . 29 ARG H H 8.16 0.02 1 156 . 29 ARG HA H 4.13 0.02 1 157 . 29 ARG HB2 H 1.95 0.02 2 158 . 29 ARG HB3 H 1.82 0.02 2 159 . 29 ARG HG2 H 1.61 0.02 1 160 . 29 ARG HG3 H 1.61 0.02 1 161 . 30 ALA N N 123.1 0.1 1 162 . 30 ALA H H 7.99 0.02 1 163 . 30 ALA HA H 4.14 0.02 1 164 . 30 ALA HB H 1.52 0.02 1 165 . 31 ARG N N 119.0 0.1 1 166 . 31 ARG H H 8.21 0.02 1 167 . 31 ARG HA H 4.14 0.02 1 168 . 31 ARG HB2 H 1.96 0.02 2 169 . 31 ARG HB3 H 1.83 0.02 2 170 . 31 ARG HG2 H 1.66 0.02 1 171 . 31 ARG HG3 H 1.66 0.02 1 172 . 31 ARG HD2 H 3.23 0.02 1 173 . 31 ARG HD3 H 3.23 0.02 1 174 . 32 GLU N N 121.1 0.1 1 175 . 32 GLU H H 8.04 0.02 1 176 . 32 GLU HA H 4.28 0.02 1 177 . 32 GLU HB2 H 2.13 0.02 1 178 . 32 GLU HB3 H 2.13 0.02 1 179 . 32 GLU HG2 H 2.37 0.02 1 180 . 32 GLU HG3 H 2.37 0.02 1 181 . 33 ARG N N 121.8 0.1 1 182 . 33 ARG H H 8.21 0.02 1 183 . 33 ARG HA H 4.09 0.02 1 184 . 33 ARG HB2 H 1.96 0.02 2 185 . 33 ARG HB3 H 1.79 0.02 2 186 . 33 ARG HG2 H 1.64 0.02 1 187 . 33 ARG HG3 H 1.64 0.02 1 188 . 34 GLU N N 120.1 0.1 1 189 . 34 GLU H H 8.09 0.02 1 190 . 34 GLU HA H 4.16 0.02 1 191 . 34 GLU HB2 H 2.14 0.02 1 192 . 34 GLU HB3 H 2.14 0.02 1 193 . 34 GLU HG2 H 2.42 0.02 1 194 . 34 GLU HG3 H 2.42 0.02 1 195 . 35 ARG N N 120.1 0.1 1 196 . 35 ARG H H 8.18 0.02 1 197 . 35 ARG HA H 4.09 0.02 1 198 . 35 ARG HB2 H 1.98 0.02 2 199 . 35 ARG HB3 H 1.82 0.02 2 200 . 35 ARG HG2 H 1.64 0.02 2 201 . 35 ARG HG3 H 1.49 0.02 2 202 . 35 ARG HD2 H 3.21 0.02 1 203 . 35 ARG HD3 H 3.21 0.02 1 204 . 36 LEU N N 121.1 0.1 1 205 . 36 LEU H H 8.24 0.02 1 206 . 36 LEU HA H 4.20 0.02 1 207 . 36 LEU HB2 H 1.79 0.02 2 208 . 36 LEU HB3 H 1.64 0.02 2 209 . 36 LEU HG H 1.49 0.02 1 210 . 36 LEU HD1 H 0.93 0.02 1 211 . 36 LEU HD2 H 0.93 0.02 1 212 . 37 ALA N N 122.4 0.1 1 213 . 37 ALA H H 8.07 0.02 1 214 . 37 ALA HA H 4.17 0.02 1 215 . 37 ALA HB H 1.47 0.02 1 216 . 38 HIS N N 117.1 0.1 1 217 . 38 HIS H H 8.40 0.02 1 218 . 38 HIS HA H 4.60 0.02 1 219 . 38 HIS HB2 H 3.39 0.02 1 220 . 38 HIS HB3 H 3.39 0.02 1 221 . 39 SER N N 116.9 0.1 1 222 . 39 SER H H 8.43 0.02 1 223 . 39 SER HA H 4.38 0.02 1 224 . 39 SER HB2 H 4.05 0.02 1 225 . 39 SER HB3 H 4.05 0.02 1 226 . 40 ARG N N 123.5 0.1 1 227 . 40 ARG H H 8.49 0.02 1 228 . 40 ARG HA H 4.24 0.02 1 229 . 40 ARG HB2 H 1.92 0.02 2 230 . 40 ARG HB3 H 1.83 0.02 2 231 . 40 ARG HG2 H 1.66 0.02 1 232 . 40 ARG HG3 H 1.66 0.02 1 233 . 41 ALA N N 123.9 0.1 1 234 . 41 ALA H H 8.18 0.02 1 235 . 41 ALA HA H 4.26 0.02 1 236 . 41 ALA HB H 1.48 0.02 1 237 . 42 ALA N N 122.8 0.1 1 238 . 42 ALA H H 8.20 0.02 1 239 . 42 ALA HA H 4.25 0.02 1 240 . 42 ALA HB H 1.46 0.02 1 241 . 43 ALA N N 123.1 0.1 1 242 . 43 ALA H H 8.28 0.02 1 243 . 43 ALA HA H 4.23 0.02 1 244 . 43 ALA HB H 1.45 0.02 1 245 . 44 ALA N N 122.8 0.1 1 246 . 44 ALA H H 8.18 0.02 1 247 . 44 ALA HA H 4.26 0.02 1 248 . 44 ALA HB H 1.43 0.02 1 249 . 45 ALA H H 8.19 0.02 1 250 . 46 ALA N N 122.8 0.1 1 251 . 46 ALA H H 8.03 0.02 1 252 . 46 ALA HA H 4.26 0.02 1 253 . 46 ALA HB H 1.49 0.02 1 254 . 47 VAL N N 120.1 0.1 1 255 . 47 VAL H H 7.96 0.02 1 256 . 47 VAL HA H 3.95 0.02 1 257 . 47 VAL HB H 2.13 0.02 1 258 . 47 VAL HG1 H 1.07 0.02 2 259 . 47 VAL HG2 H 0.96 0.02 2 260 . 48 ALA N N 125.6 0.1 1 261 . 48 ALA H H 8.17 0.02 1 262 . 48 ALA HA H 4.23 0.02 1 263 . 48 ALA HB H 1.46 0.02 1 264 . 49 ALA N N 122.0 0.1 1 265 . 49 ALA H H 8.10 0.02 1 266 . 49 ALA HA H 4.24 0.02 1 267 . 49 ALA HB H 1.49 0.02 1 268 . 50 ALA N N 122.8 0.1 1 269 . 50 ALA H H 8.12 0.02 1 270 . 50 ALA HA H 4.29 0.02 1 271 . 50 ALA HB H 1.48 0.02 1 272 . 51 THR N N 113.9 0.1 1 273 . 51 THR H H 8.13 0.02 1 274 . 51 THR HA H 4.24 0.02 1 275 . 51 THR HG2 H 1.24 0.02 1 276 . 52 ALA N N 125.8 0.1 1 277 . 52 ALA H H 8.14 0.02 1 278 . 52 ALA HA H 4.25 0.02 1 279 . 52 ALA HB H 1.42 0.02 1 280 . 53 ALA N N 122.6 0.1 1 281 . 53 ALA H H 8.17 0.02 1 282 . 53 ALA HA H 4.26 0.02 1 283 . 53 ALA HB H 1.44 0.02 1 284 . 54 VAL N N 119.0 0.1 1 285 . 54 VAL H H 8.02 0.02 1 286 . 54 VAL HA H 4.09 0.02 1 287 . 54 VAL HB H 2.12 0.02 1 288 . 54 VAL HG1 H 0.97 0.02 1 289 . 54 VAL HG2 H 0.97 0.02 1 290 . 55 GLU N N 123.9 0.1 1 291 . 55 GLU H H 8.47 0.02 1 292 . 55 GLU HA H 4.33 0.02 1 293 . 55 GLU HB2 H 2.12 0.02 2 294 . 55 GLU HB3 H 2.01 0.02 2 295 . 55 GLU HG2 H 2.43 0.02 1 296 . 55 GLU HG3 H 2.43 0.02 1 297 . 56 GLY N N 110.0 0.1 1 298 . 56 GLY H H 8.48 0.02 1 299 . 56 GLY HA2 H 4.05 0.02 1 300 . 56 GLY HA3 H 4.05 0.02 1 301 . 57 THR N N 113.0 0.1 1 302 . 57 THR H H 8.34 0.02 1 303 . 57 THR HA H 4.37 0.02 1 304 . 57 THR HG2 H 1.20 0.02 1 305 . 58 GLY N N 111.7 0.1 1 306 . 58 GLY H H 8.66 0.02 1 307 . 58 GLY HA2 H 4.01 0.02 1 308 . 58 GLY HA3 H 4.01 0.02 1 309 . 59 GLY N N 108.7 0.1 1 310 . 59 GLY H H 8.38 0.02 1 311 . 59 GLY HA2 H 4.01 0.02 1 312 . 59 GLY HA3 H 4.01 0.02 1 313 . 60 SER N N 116.0 0.1 1 314 . 60 SER H H 8.48 0.02 1 315 . 60 SER HA H 4.47 0.02 1 316 . 60 SER HB2 H 3.92 0.02 1 317 . 60 SER HB3 H 3.92 0.02 1 318 . 61 GLY N N 111.3 0.1 1 319 . 61 GLY H H 8.66 0.02 1 320 . 61 GLY HA2 H 4.01 0.02 1 321 . 61 GLY HA3 H 4.01 0.02 1 322 . 62 GLY N N 109.0 0.1 1 323 . 62 GLY H H 8.41 0.02 1 324 . 62 GLY HA2 H 4.01 0.02 1 325 . 62 GLY HA3 H 4.01 0.02 1 326 . 63 GLY N N 109.0 0.1 1 327 . 63 GLY H H 8.30 0.02 1 328 . 63 GLY HA2 H 4.01 0.02 2 329 . 63 GLY HA3 H 4.13 0.02 2 330 . 64 PRO HA H 4.34 0.02 1 331 . 64 PRO HB2 H 2.18 0.02 2 332 . 64 PRO HG2 H 1.68 0.02 1 333 . 64 PRO HG3 H 1.68 0.02 1 334 . 64 PRO HD2 H 3.61 0.02 1 335 . 64 PRO HD3 H 3.61 0.02 1 336 . 65 HIS N N 118.1 0.1 1 337 . 65 HIS H H 8.74 0.02 1 338 . 65 HIS HA H 4.65 0.02 1 339 . 65 HIS HB2 H 3.20 0.02 2 340 . 65 HIS HB3 H 3.10 0.02 2 341 . 66 HIS N N 120.5 0.1 1 342 . 66 HIS H H 8.82 0.02 1 343 . 66 HIS HA H 4.67 0.02 1 344 . 66 HIS HB2 H 3.24 0.02 2 345 . 66 HIS HB3 H 3.10 0.02 2 346 . 67 HIS N N 119.6 0.1 1 347 . 67 HIS H H 8.54 0.02 1 348 . 67 HIS HA H 4.65 0.02 1 349 . 67 HIS HB2 H 3.21 0.02 2 350 . 67 HIS HB3 H 3.08 0.02 2 351 . 68 HIS N N 121.4 0.1 1 352 . 68 HIS H H 8.89 0.02 1 353 . 68 HIS HA H 4.69 0.02 1 354 . 68 HIS HB2 H 3.21 0.02 1 355 . 68 HIS HB3 H 3.21 0.02 1 356 . 69 GLN N N 123.5 0.1 1 357 . 69 GLN H H 8.75 0.02 1 358 . 69 GLN HA H 4.44 0.02 1 359 . 69 GLN HB2 H 2.09 0.02 2 360 . 69 GLN HB3 H 1.98 0.02 2 361 . 69 GLN HG2 H 2.36 0.02 1 362 . 69 GLN HG3 H 2.36 0.02 1 363 . 70 THR N N 117.7 0.1 1 364 . 70 THR H H 8.53 0.02 1 365 . 70 THR HA H 4.37 0.02 1 366 . 70 THR HB H 4.19 0.02 1 367 . 70 THR HG2 H 1.21 0.02 1 368 . 71 ARG N N 124.3 0.1 1 369 . 71 ARG H H 8.62 0.02 1 370 . 71 ARG HA H 4.35 0.02 1 371 . 71 ARG HB2 H 1.88 0.02 2 372 . 71 ARG HB3 H 1.78 0.02 2 373 . 71 ARG HG2 H 1.64 0.02 1 374 . 71 ARG HG3 H 1.64 0.02 1 375 . 71 ARG HD2 H 3.20 0.02 1 376 . 71 ARG HD3 H 3.20 0.02 1 377 . 72 GLY N N 110.9 0.1 1 378 . 72 GLY H H 8.56 0.02 1 379 . 72 GLY HA2 H 3.94 0.02 1 380 . 72 GLY HA3 H 3.94 0.02 1 381 . 73 ALA N N 124.1 0.1 1 382 . 73 ALA H H 8.30 0.02 1 383 . 73 ALA HA H 4.24 0.02 1 384 . 73 ALA HB H 1.27 0.02 1 385 . 74 TYR N N 119.7 0.1 1 386 . 74 TYR H H 8.34 0.02 1 387 . 74 TYR HA H 4.57 0.02 1 388 . 74 TYR HB2 H 3.03 0.02 2 389 . 74 TYR HB3 H 2.95 0.02 2 390 . 75 SER N N 117.9 0.1 1 391 . 75 SER H H 8.17 0.02 1 392 . 75 SER HA H 4.42 0.02 1 393 . 75 SER HB2 H 3.79 0.02 1 394 . 75 SER HB3 H 3.79 0.02 1 395 . 76 SER N N 118.1 0.1 1 396 . 76 SER H H 8.41 0.02 1 397 . 76 SER HA H 4.42 0.02 1 398 . 76 SER HB2 H 3.88 0.02 1 399 . 76 SER HB3 H 3.88 0.02 1 400 . 77 HIS N N 119.7 0.1 1 401 . 77 HIS H H 8.40 0.02 1 402 . 77 HIS HA H 4.77 0.02 1 403 . 77 HIS HB2 H 3.27 0.02 2 404 . 77 HIS HB3 H 3.21 0.02 2 405 . 78 ASP N N 126.3 0.1 1 406 . 78 ASP H H 8.37 0.02 1 407 . 78 ASP HA H 4.51 0.02 1 408 . 78 ASP HB2 H 2.72 0.02 1 409 . 78 ASP HB3 H 2.72 0.02 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name RCK4(1-75) _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 3 THR H 3 THR HA 8.0 . . 0.1 2 3JHNHA 4 MET H 4 MET HA 7.3 . . 0.1 3 3JHNHA 5 GLU H 5 GLU HA 7.1 . . 0.1 4 3JHNHA 6 VAL H 6 VAL HA 7.9 . . 0.1 5 3JHNHA 7 ALA H 7 ALA HA 5.9 . . 0.1 6 3JHNHA 8 MET H 8 MET HA 7.2 . . 0.1 7 3JHNHA 9 VAL H 9 VAL HA 7.9 . . 0.1 8 3JHNHA 10 SER H 10 SER HA 6.9 . . 0.1 9 3JHNHA 11 ALA H 11 ALA HA 6.0 . . 0.1 10 3JHNHA 12 GLU H 12 GLU HA 6.9 . . 0.1 11 3JHNHA 13 SER H 13 SER HA 7.1 . . 0.1 12 3JHNHA 14 SER H 14 SER HA 7.4 . . 0.1 13 3JHNHA 16 CYS H 16 CYS HA 7.2 . . 0.1 14 3JHNHA 17 ASN H 17 ASN HA 7.7 . . 0.1 15 3JHNHA 18 SER H 18 SER HA 6.7 . . 0.1 16 3JHNHA 19 HIS H 19 HIS HA 8.6 . . 0.1 17 3JHNHA 20 MET H 20 MET HA 5.9 . . 0.1 18 3JHNHA 22 TYR H 22 TYR HA 5.4 . . 0.1 19 3JHNHA 24 TYR H 24 TYR HA 4.0 . . 0.1 20 3JHNHA 25 ALA H 25 ALA HA 4.8 . . 0.1 21 3JHNHA 26 ALA H 26 ALA HA 4.7 . . 0.1 22 3JHNHA 27 GLN H 27 GLN HA 4.5 . . 0.1 23 3JHNHA 28 ALA H 28 ALA HA 4.5 . . 0.1 24 3JHNHA 29 ARG H 29 ARG HA 5.2 . . 0.1 25 3JHNHA 30 ALA H 30 ALA HA 4.3 . . 0.1 26 3JHNHA 31 ARG H 31 ARG HA 4.6 . . 0.1 27 3JHNHA 32 GLU H 32 GLU HA 4.3 . . 0.1 28 3JHNHA 33 ARG H 33 ARG HA 4.3 . . 0.1 29 3JHNHA 34 GLU H 34 GLU HA 4.7 . . 0.1 30 3JHNHA 35 ARG H 35 ARG HA 4.6 . . 0.1 31 3JHNHA 36 LEU H 36 LEU HA 4.3 . . 0.1 32 3JHNHA 37 ALA H 37 ALA HA 4.1 . . 0.1 33 3JHNHA 38 HIS H 38 HIS HA 5.1 . . 0.1 34 3JHNHA 39 SER H 39 SER HA 3.9 . . 0.1 35 3JHNHA 40 ARG H 40 ARG HA 5.4 . . 0.1 36 3JHNHA 41 ALA H 41 ALA HA 4.8 . . 0.1 37 3JHNHA 42 ALA H 42 ALA HA 4.7 . . 0.1 38 3JHNHA 43 ALA H 43 ALA HA 4.7 . . 0.1 39 3JHNHA 46 ALA H 46 ALA HA 5.2 . . 0.1 40 3JHNHA 47 VAL H 47 VAL HA 6.3 . . 0.1 41 3JHNHA 48 ALA H 48 ALA HA 4.7 . . 0.1 42 3JHNHA 49 ALA H 49 ALA HA 5.0 . . 0.1 43 3JHNHA 50 ALA H 50 ALA HA 5.0 . . 0.1 44 3JHNHA 51 THR H 51 THR HA 6.5 . . 0.1 45 3JHNHA 52 ALA H 52 ALA HA 5.4 . . 0.1 46 3JHNHA 53 ALA H 53 ALA HA 5.6 . . 0.1 47 3JHNHA 54 VAL H 54 VAL HA 7.7 . . 0.1 48 3JHNHA 55 GLU H 55 GLU HA 6.7 . . 0.1 49 3JHNHA 57 THR H 57 THR HA 8.0 . . 0.1 50 3JHNHA 60 SER H 60 SER HA 7.4 . . 0.1 51 3JHNHA 65 HIS H 65 HIS HA 8.0 . . 0.1 52 3JHNHA 66 HIS H 66 HIS HA 7.0 . . 0.1 53 3JHNHA 67 HIS H 67 HIS HA 7.5 . . 0.1 54 3JHNHA 68 HIS H 68 HIS HA 7.2 . . 0.1 55 3JHNHA 69 GLN H 69 GLN HA 7.0 . . 0.1 56 3JHNHA 70 THR H 70 THR HA 7.9 . . 0.1 57 3JHNHA 71 ARG H 71 ARG HA 7.2 . . 0.1 58 3JHNHA 73 ALA H 73 ALA HA 6.2 . . 0.1 59 3JHNHA 74 TYR H 74 TYR HA 7.7 . . 0.1 60 3JHNHA 75 SER H 75 SER HA 7.8 . . 0.1 61 3JHNHA 77 HIS H 77 HIS HA 8.4 . . 0.1 62 3JHNHA 78 ASP H 78 ASP HA 8.1 . . 0.1 stop_ save_