data_27094 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of the apo calmodulin C-domain bound to the NaV1.2 IQ motif peptide ; _BMRB_accession_number 27094 _BMRB_flat_file_name bmr27094.str _Entry_type original _Submission_date 2017-05-04 _Accession_date 2017-05-04 _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 Mahling Ryan . . 2 Kilpatrick Adina M. . 3 Shea Madeline A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 98 "13C chemical shifts" 286 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-09-29 update author 'update entry citation' 2017-09-11 original author 'original release' stop_ _Original_release_date 2017-05-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignments of complexes of human voltage-dependent sodium channel NaV1.2 IQ motif peptide bound to apo calmodulin and to the C-domain fragment of apo calmodulin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28823028 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mahling Ryan . . 2 Kilpatrick Adina M. . 3 Shea Madeline A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 297 _Page_last 303 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CaMC NaV1.2 IQ motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Calmodulin C-domain' $Calmodulin_C-domain 'NaV1.2 IQ motif peptide' $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Calmodulin_C-domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin_C-domain _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Calcium sensor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEEFVQMMTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 76 MET 2 77 LYS 3 78 ASP 4 79 THR 5 80 ASP 6 81 SER 7 82 GLU 8 83 GLU 9 84 GLU 10 85 ILE 11 86 ARG 12 87 GLU 13 88 ALA 14 89 PHE 15 90 ARG 16 91 VAL 17 92 PHE 18 93 ASP 19 94 LYS 20 95 ASP 21 96 GLY 22 97 ASN 23 98 GLY 24 99 TYR 25 100 ILE 26 101 SER 27 102 ALA 28 103 ALA 29 104 GLU 30 105 LEU 31 106 ARG 32 107 HIS 33 108 VAL 34 109 MET 35 110 THR 36 111 ASN 37 112 LEU 38 113 GLY 39 114 GLU 40 115 LYS 41 116 LEU 42 117 THR 43 118 ASP 44 119 GLU 45 120 GLU 46 121 VAL 47 122 ASP 48 123 GLU 49 124 MET 50 125 ILE 51 126 ARG 52 127 GLU 53 128 ALA 54 129 ASP 55 130 ILE 56 131 ASP 57 132 GLY 58 133 ASP 59 134 GLY 60 135 GLN 61 136 VAL 62 137 ASN 63 138 TYR 64 139 GLU 65 140 GLU 66 141 PHE 67 142 VAL 68 143 GLN 69 144 MET 70 145 MET 71 146 THR 72 147 ALA 73 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI AAD45181.1 calmodulin . . . . . UNP P0DP23 calmodulin . . . . . stop_ save_ save_Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Sodium channel' stop_ _Details . _Residue_count 31 _Mol_residue_sequence ; GPGSKRKQEEVSAIIIQRAY RRYLLKQKVKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 GLY 4 -1 SER 5 1901 LYS 6 1902 ARG 7 1903 LYS 8 1904 GLN 9 1905 GLU 10 1906 GLU 11 1907 VAL 12 1908 SER 13 1909 ALA 14 1910 ILE 15 1911 ILE 16 1912 ILE 17 1913 GLN 18 1914 ARG 19 1915 ALA 20 1916 TYR 21 1917 ARG 22 1918 ARG 23 1919 TYR 24 1920 LEU 25 1921 LEU 26 1922 LYS 27 1923 GLN 28 1924 LYS 29 1925 VAL 30 1926 LYS 31 1927 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI NP_001035232.1 'Voltage-gated sodium channel 1.2' . . . . . UNP Q99250 'Voltage-gated sodium channel 1.2' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Calmodulin_C-domain Human 9606 Eukaryota Metazoa Homo sapiens $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide 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 $Calmodulin_C-domain 'recombinant technology' . Escherichia coli 'BL21 DE3' pT7-7 $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide 'recombinant technology' . Escherichia coli 'BL21 DE3' pBG101 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 $Calmodulin_C-domain 0.85 mM '[U-99% 13C; U-99% 15N]' $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide 0.85 mM '[U-99% 13C; U-99% 15N]' 'potassium chloride' 100 mM 'natural abundance' imidazole 10 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.1B loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address '(NMRpipe) Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address '(Analysis) CCPN' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.773 na indirect . . . 0.25144953 water H 1 protons ppm 4.773 internal direct . . . 1 water N 15 protons ppm 4.773 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Calmodulin C-domain' _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 78 3 ASP H H 8.619 0.001 1 2 78 3 ASP C C 176.179 0.000 1 3 78 3 ASP CA C 54.709 0.033 1 4 78 3 ASP CB C 41.082 0.031 1 5 78 3 ASP N N 122.484 0.014 1 6 79 4 THR H H 8.008 0.001 1 7 79 4 THR C C 174.208 0.000 1 8 79 4 THR CA C 61.899 0.014 1 9 79 4 THR CB C 69.883 0.003 1 10 79 4 THR N N 113.311 0.005 1 11 80 5 ASP H H 8.229 0.001 1 12 80 5 ASP C C 176.169 0.000 1 13 80 5 ASP CA C 54.806 0.010 1 14 80 5 ASP CB C 41.589 0.041 1 15 80 5 ASP N N 122.466 0.005 1 16 81 6 SER H H 8.485 0.001 1 17 81 6 SER C C 175.041 0.000 1 18 81 6 SER CA C 58.719 0.039 1 19 81 6 SER CB C 64.286 0.016 1 20 81 6 SER N N 116.816 0.016 1 21 82 7 GLU H H 8.758 0.001 1 22 82 7 GLU C C 177.684 0.000 1 23 82 7 GLU CA C 60.105 0.051 1 24 82 7 GLU CB C 29.759 0.033 1 25 82 7 GLU N N 122.488 0.014 1 26 83 8 GLU H H 8.357 0.001 1 27 83 8 GLU C C 178.447 0.000 1 28 83 8 GLU CA C 59.515 0.047 1 29 83 8 GLU CB C 29.326 0.078 1 30 83 8 GLU N N 117.939 0.006 1 31 84 9 GLU H H 7.872 0.001 1 32 84 9 GLU C C 179.370 0.000 1 33 84 9 GLU CA C 59.372 0.044 1 34 84 9 GLU CB C 29.948 0.062 1 35 84 9 GLU N N 119.013 0.007 1 36 85 10 ILE H H 8.036 0.002 1 37 85 10 ILE C C 177.594 0.000 1 38 85 10 ILE CA C 64.824 0.022 1 39 85 10 ILE CB C 38.086 0.106 1 40 85 10 ILE N N 119.570 0.011 1 41 86 11 ARG H H 8.516 0.003 1 42 86 11 ARG C C 178.386 0.000 1 43 86 11 ARG CA C 61.508 0.012 1 44 86 11 ARG CB C 30.509 0.053 1 45 86 11 ARG N N 120.593 0.014 1 46 87 12 GLU H H 8.385 0.001 1 47 87 12 GLU C C 178.219 0.000 1 48 87 12 GLU CA C 58.826 0.030 1 49 87 12 GLU CB C 29.208 0.059 1 50 87 12 GLU N N 116.434 0.011 1 51 88 13 ALA H H 7.579 0.001 1 52 88 13 ALA C C 178.899 0.000 1 53 88 13 ALA CA C 54.916 0.016 1 54 88 13 ALA CB C 18.381 0.047 1 55 88 13 ALA N N 122.220 0.011 1 56 89 14 PHE H H 7.686 0.002 1 57 89 14 PHE C C 178.698 0.000 1 58 89 14 PHE CA C 62.883 0.014 1 59 89 14 PHE CB C 39.988 0.058 1 60 89 14 PHE N N 114.159 0.005 1 61 90 15 ARG H H 8.014 0.001 1 62 90 15 ARG C C 178.899 0.000 1 63 90 15 ARG CA C 59.458 0.023 1 64 90 15 ARG CB C 30.098 0.067 1 65 90 15 ARG N N 117.548 0.010 1 66 91 16 VAL H H 7.059 0.002 1 67 91 16 VAL C C 176.611 0.000 1 68 91 16 VAL CA C 65.515 0.015 1 69 91 16 VAL CB C 31.433 0.044 1 70 91 16 VAL N N 118.906 0.012 1 71 92 17 PHE H H 7.352 0.001 1 72 92 17 PHE C C 174.327 0.000 1 73 92 17 PHE CA C 58.102 0.011 1 74 92 17 PHE CB C 39.413 0.041 1 75 92 17 PHE N N 116.553 0.006 1 76 93 18 ASP H H 7.536 0.000 1 77 93 18 ASP C C 176.230 0.000 1 78 93 18 ASP CA C 52.520 0.027 1 79 93 18 ASP CB C 40.600 0.040 1 80 93 18 ASP N N 120.645 0.004 1 81 94 19 LYS H H 8.443 0.001 1 82 94 19 LYS C C 178.097 0.000 1 83 94 19 LYS CA C 58.627 0.019 1 84 94 19 LYS CB C 32.569 0.034 1 85 94 19 LYS N N 125.280 0.010 1 86 95 20 ASP H H 8.485 0.001 1 87 95 20 ASP C C 176.957 0.000 1 88 95 20 ASP CA C 55.103 0.020 1 89 95 20 ASP CB C 41.622 0.021 1 90 95 20 ASP N N 116.968 0.018 1 91 96 21 GLY H H 8.330 0.001 1 92 96 21 GLY C C 175.012 0.000 1 93 96 21 GLY CA C 46.693 0.021 1 94 96 21 GLY N N 109.794 0.006 1 95 97 22 ASN H H 8.773 0.001 1 96 97 22 ASN C C 175.874 0.000 1 97 97 22 ASN CA C 53.248 0.014 1 98 97 22 ASN CB C 39.652 0.039 1 99 97 22 ASN N N 117.947 0.007 1 100 98 23 GLY H H 9.659 0.002 1 101 98 23 GLY C C 172.537 0.000 1 102 98 23 GLY CA C 45.317 0.038 1 103 98 23 GLY N N 109.828 0.007 1 104 99 24 TYR H H 7.985 0.002 1 105 99 24 TYR C C 174.949 0.000 1 106 99 24 TYR CA C 56.035 0.018 1 107 99 24 TYR CB C 42.076 0.055 1 108 99 24 TYR N N 117.734 0.012 1 109 100 25 ILE H H 8.706 0.002 1 110 100 25 ILE C C 174.519 0.000 1 111 100 25 ILE CA C 59.368 0.019 1 112 100 25 ILE CB C 43.240 0.045 1 113 100 25 ILE N N 116.271 0.017 1 114 101 26 SER H H 9.114 0.002 1 115 101 26 SER C C 175.653 0.000 1 116 101 26 SER CA C 58.338 0.020 1 117 101 26 SER CB C 63.799 0.009 1 118 101 26 SER N N 122.470 0.011 1 119 102 27 ALA H H 9.035 0.002 1 120 102 27 ALA C C 179.243 0.000 1 121 102 27 ALA CA C 55.560 0.037 1 122 102 27 ALA CB C 18.030 0.067 1 123 102 27 ALA N N 128.621 0.014 1 124 103 28 ALA H H 8.475 0.001 1 125 103 28 ALA C C 180.875 0.000 1 126 103 28 ALA CA C 55.171 0.028 1 127 103 28 ALA CB C 18.288 0.029 1 128 103 28 ALA N N 119.741 0.006 1 129 104 29 GLU H H 7.872 0.001 1 130 104 29 GLU C C 178.457 0.000 1 131 104 29 GLU CA C 58.928 0.036 1 132 104 29 GLU CB C 29.544 0.056 1 133 104 29 GLU N N 120.953 0.006 1 134 105 30 LEU H H 8.533 0.001 1 135 105 30 LEU C C 177.746 0.000 1 136 105 30 LEU CA C 57.750 0.036 1 137 105 30 LEU CB C 41.430 0.052 1 138 105 30 LEU N N 120.062 0.008 1 139 106 31 ARG H H 8.406 0.003 1 140 106 31 ARG C C 178.440 0.000 1 141 106 31 ARG CA C 59.851 0.017 1 142 106 31 ARG CB C 30.189 0.013 1 143 106 31 ARG N N 117.512 0.017 1 144 107 32 HIS H H 7.810 0.003 1 145 107 32 HIS C C 177.726 0.000 1 146 107 32 HIS CA C 60.500 0.025 1 147 107 32 HIS CB C 29.982 0.059 1 148 107 32 HIS N N 118.847 0.020 1 149 108 33 VAL H H 8.608 0.001 1 150 108 33 VAL C C 177.696 0.000 1 151 108 33 VAL CA C 66.473 0.029 1 152 108 33 VAL CB C 31.943 0.016 1 153 108 33 VAL N N 117.951 0.010 1 154 109 34 MET H H 8.183 0.001 1 155 109 34 MET C C 178.220 0.000 1 156 109 34 MET CA C 56.406 0.015 1 157 109 34 MET CB C 36.750 0.052 1 158 109 34 MET N N 112.306 0.007 1 159 110 35 THR H H 7.483 0.002 1 160 110 35 THR C C 174.930 0.000 1 161 110 35 THR CA C 61.881 0.027 1 162 110 35 THR CB C 70.847 0.048 1 163 110 35 THR N N 103.899 0.008 1 164 111 36 ASN H H 7.440 0.002 1 165 111 36 ASN C C 173.598 0.000 1 166 111 36 ASN CA C 54.756 0.032 1 167 111 36 ASN CB C 41.222 0.039 1 168 111 36 ASN N N 116.561 0.013 1 169 112 37 LEU H H 7.665 0.001 1 170 112 37 LEU C C 176.619 0.000 1 171 112 37 LEU CA C 53.580 0.022 1 172 112 37 LEU CB C 45.722 0.031 1 173 112 37 LEU N N 120.010 0.009 1 174 113 38 GLY H H 9.024 0.001 1 175 113 38 GLY C C 175.891 0.000 1 176 113 38 GLY CA C 47.183 0.020 1 177 113 38 GLY N N 106.204 0.010 1 178 114 39 GLU H H 9.317 0.001 1 179 114 39 GLU C C 175.428 0.000 1 180 114 39 GLU CA C 54.876 0.018 1 181 114 39 GLU CB C 26.698 0.063 1 182 114 39 GLU N N 129.910 0.023 1 183 115 40 LYS H H 6.831 0.001 1 184 115 40 LYS C C 177.810 0.000 1 185 115 40 LYS CA C 57.788 0.063 1 186 115 40 LYS CB C 33.678 0.014 1 187 115 40 LYS N N 115.895 0.007 1 188 116 41 LEU H H 8.460 0.002 1 189 116 41 LEU C C 177.494 0.000 1 190 116 41 LEU CA C 54.332 0.027 1 191 116 41 LEU CB C 42.223 0.047 1 192 116 41 LEU N N 122.515 0.023 1 193 117 42 THR H H 9.311 0.002 1 194 117 42 THR C C 175.387 0.000 1 195 117 42 THR CA C 60.699 0.046 1 196 117 42 THR CB C 71.186 0.033 1 197 117 42 THR N N 112.021 0.010 1 198 118 43 ASP H H 8.752 0.001 1 199 118 43 ASP C C 177.752 0.000 1 200 118 43 ASP CA C 57.868 0.055 1 201 118 43 ASP CB C 40.306 0.056 1 202 118 43 ASP N N 120.521 0.009 1 203 119 44 GLU H H 8.413 0.003 1 204 119 44 GLU C C 180.096 0.000 1 205 119 44 GLU CA C 59.905 0.107 1 206 119 44 GLU CB C 29.557 0.032 1 207 119 44 GLU N N 117.492 0.017 1 208 120 45 GLU H H 7.848 0.001 1 209 120 45 GLU C C 179.178 0.000 1 210 120 45 GLU CA C 59.255 0.042 1 211 120 45 GLU CB C 31.973 0.065 1 212 120 45 GLU N N 119.696 0.009 1 213 121 46 VAL H H 8.710 0.002 1 214 121 46 VAL C C 176.345 0.000 1 215 121 46 VAL CA C 64.893 0.013 1 216 121 46 VAL CB C 31.248 0.080 1 217 121 46 VAL N N 119.248 0.016 1 218 122 47 ASP H H 8.351 0.002 1 219 122 47 ASP C C 179.452 0.000 1 220 122 47 ASP CA C 57.511 0.023 1 221 122 47 ASP CB C 39.953 0.024 1 222 122 47 ASP N N 123.035 0.020 1 223 123 48 GLU H H 7.395 0.001 1 224 123 48 GLU C C 177.472 0.000 1 225 123 48 GLU CA C 58.924 0.035 1 226 123 48 GLU CB C 28.769 0.056 1 227 123 48 GLU N N 120.264 0.008 1 228 124 49 MET H H 7.998 0.002 1 229 124 49 MET C C 177.724 0.000 1 230 124 49 MET CA C 60.021 0.039 1 231 124 49 MET CB C 33.664 0.044 1 232 124 49 MET N N 121.954 0.006 1 233 125 50 ILE H H 8.290 0.003 1 234 125 50 ILE C C 177.628 0.000 1 235 125 50 ILE CA C 63.028 0.036 1 236 125 50 ILE CB C 36.307 0.053 1 237 125 50 ILE N N 115.590 0.011 1 238 126 51 ARG H H 7.782 0.001 1 239 126 51 ARG C C 178.481 0.000 1 240 126 51 ARG CA C 59.337 0.062 1 241 126 51 ARG CB C 30.229 0.089 1 242 126 51 ARG N N 119.976 0.010 1 243 127 52 GLU H H 7.823 0.002 1 244 127 52 GLU C C 176.762 0.000 1 245 127 52 GLU CA C 58.052 0.036 1 246 127 52 GLU CB C 30.348 0.028 1 247 127 52 GLU N N 115.589 0.013 1 248 128 53 ALA H H 7.985 0.003 1 249 128 53 ALA C C 177.103 0.000 1 250 128 53 ALA CA C 52.699 0.029 1 251 128 53 ALA CB C 19.500 0.024 1 252 128 53 ALA N N 120.103 0.025 1 253 129 54 ASP H H 8.365 0.002 1 254 129 54 ASP C C 176.180 0.000 1 255 129 54 ASP CA C 52.861 0.000 1 256 129 54 ASP CB C 39.835 0.000 1 257 129 54 ASP N N 119.263 0.011 1 258 130 55 ILE H H 7.835 0.006 1 259 130 55 ILE N N 122.481 0.013 1 260 131 56 ASP C C 177.693 0.000 1 261 131 56 ASP CA C 53.927 0.000 1 262 131 56 ASP CB C 41.243 0.000 1 263 132 57 GLY H H 8.214 0.004 1 264 132 57 GLY C C 174.729 0.000 1 265 132 57 GLY CA C 46.743 0.032 1 266 132 57 GLY N N 108.333 0.005 1 267 133 58 ASP H H 8.391 0.002 1 268 133 58 ASP CA C 53.589 0.000 1 269 133 58 ASP CB C 41.560 0.000 1 270 133 58 ASP N N 119.532 0.009 1 271 134 59 GLY C C 174.296 0.000 1 272 134 59 GLY CA C 46.070 0.012 1 273 135 60 GLN H H 8.311 0.004 1 274 135 60 GLN C C 174.401 0.000 1 275 135 60 GLN CA C 54.625 0.012 1 276 135 60 GLN CB C 30.536 0.019 1 277 135 60 GLN N N 120.657 0.008 1 278 136 61 VAL H H 9.103 0.009 1 279 136 61 VAL C C 174.936 0.000 1 280 136 61 VAL CA C 61.524 0.024 1 281 136 61 VAL CB C 33.356 0.000 1 282 136 61 VAL N N 120.937 0.012 1 283 137 62 ASN H H 9.038 0.002 1 284 137 62 ASN C C 175.963 0.000 1 285 137 62 ASN CA C 51.885 0.052 1 286 137 62 ASN CB C 37.222 0.040 1 287 137 62 ASN N N 126.833 0.009 1 288 138 63 TYR H H 7.222 0.001 1 289 138 63 TYR C C 176.359 0.000 1 290 138 63 TYR CA C 59.227 0.008 1 291 138 63 TYR CB C 36.917 0.107 1 292 138 63 TYR N N 122.607 0.011 1 293 139 64 GLU H H 8.204 0.001 1 294 139 64 GLU C C 178.979 0.000 1 295 139 64 GLU CA C 59.582 0.007 1 296 139 64 GLU CB C 28.249 0.028 1 297 139 64 GLU N N 126.491 0.011 1 298 140 65 GLU H H 7.346 0.002 1 299 140 65 GLU C C 179.292 0.000 1 300 140 65 GLU CA C 58.880 0.033 1 301 140 65 GLU CB C 29.132 0.037 1 302 140 65 GLU N N 117.520 0.006 1 303 141 66 PHE H H 7.344 0.004 1 304 141 66 PHE C C 177.477 0.000 1 305 141 66 PHE CA C 60.012 0.012 1 306 141 66 PHE CB C 39.280 0.034 1 307 141 66 PHE N N 120.023 0.011 1 308 142 67 VAL H H 8.436 0.004 1 309 142 67 VAL C C 178.814 0.000 1 310 142 67 VAL CA C 67.447 0.000 1 311 142 67 VAL CB C 31.476 0.000 1 312 142 67 VAL N N 119.379 0.003 1 313 143 68 GLN H H 7.819 0.002 1 314 143 68 GLN C C 178.049 0.000 1 315 143 68 GLN CA C 58.780 0.004 1 316 143 68 GLN CB C 27.973 0.058 1 317 143 68 GLN N N 118.441 0.015 1 318 144 69 MET H H 7.771 0.001 1 319 144 69 MET C C 178.375 0.000 1 320 144 69 MET CA C 58.975 0.009 1 321 144 69 MET CB C 32.849 0.074 1 322 144 69 MET N N 119.152 0.004 1 323 145 70 MET H H 7.850 0.001 1 324 145 70 MET C C 177.222 0.000 1 325 145 70 MET CA C 58.520 0.027 1 326 145 70 MET CB C 34.722 0.031 1 327 145 70 MET N N 114.106 0.009 1 328 146 71 THR H H 7.574 0.002 1 329 146 71 THR C C 174.417 0.000 1 330 146 71 THR CA C 61.854 0.016 1 331 146 71 THR CB C 69.955 0.034 1 332 146 71 THR N N 108.080 0.007 1 333 147 72 ALA H H 7.432 0.003 1 334 147 72 ALA C C 177.243 0.000 1 335 147 72 ALA CA C 53.365 0.018 1 336 147 72 ALA CB C 19.236 0.034 1 337 147 72 ALA N N 126.348 0.018 1 338 148 73 LYS H H 8.075 0.000 1 339 148 73 LYS CA C 57.934 0.000 1 340 148 73 LYS N N 126.190 0.005 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NaV1.2 IQ motif peptide' _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 3 GLY H H 8.655 0.006 1 2 -2 3 GLY C C 174.527 0.000 1 3 -2 3 GLY CA C 45.390 0.023 1 4 -2 3 GLY N N 109.629 0.010 1 5 -1 4 SER H H 8.192 0.001 1 6 -1 4 SER C C 175.245 0.000 1 7 -1 4 SER CA C 58.931 0.062 1 8 -1 4 SER CB C 63.724 0.076 1 9 -1 4 SER N N 115.974 0.007 1 10 1901 5 LYS H H 8.472 0.001 1 11 1901 5 LYS C C 177.192 0.000 1 12 1901 5 LYS CA C 57.479 0.017 1 13 1901 5 LYS CB C 32.537 0.034 1 14 1901 5 LYS N N 124.240 0.011 1 15 1902 6 ARG H H 8.176 0.001 1 16 1902 6 ARG C C 177.763 0.000 1 17 1902 6 ARG CA C 57.446 0.029 1 18 1902 6 ARG CB C 30.258 0.068 1 19 1902 6 ARG N N 120.545 0.003 1 20 1903 7 LYS H H 8.232 0.003 1 21 1903 7 LYS C C 177.999 0.000 1 22 1903 7 LYS CA C 58.127 0.019 1 23 1903 7 LYS CB C 32.246 0.063 1 24 1903 7 LYS N N 120.968 0.014 1 25 1904 8 GLN H H 8.261 0.001 1 26 1904 8 GLN C C 178.916 0.000 1 27 1904 8 GLN CA C 58.245 0.021 1 28 1904 8 GLN CB C 28.619 0.036 1 29 1904 8 GLN N N 119.418 0.008 1 30 1905 9 GLU H H 8.734 0.003 1 31 1905 9 GLU C C 177.585 0.000 1 32 1905 9 GLU CA C 60.404 0.020 1 33 1905 9 GLU CB C 29.248 0.001 1 34 1905 9 GLU N N 120.936 0.007 1 35 1906 10 GLU H H 8.017 0.001 1 36 1906 10 GLU C C 177.473 0.000 1 37 1906 10 GLU CA C 60.567 0.013 1 38 1906 10 GLU CB C 29.889 0.057 1 39 1906 10 GLU N N 119.269 0.006 1 40 1907 11 VAL H H 7.836 0.002 1 41 1907 11 VAL C C 178.728 0.000 1 42 1907 11 VAL CA C 66.204 0.012 1 43 1907 11 VAL CB C 32.057 0.062 1 44 1907 11 VAL N N 116.344 0.008 1 45 1908 12 SER H H 7.947 0.001 1 46 1908 12 SER C C 174.849 0.000 1 47 1908 12 SER CA C 62.953 0.081 1 48 1908 12 SER N N 115.985 0.012 1 49 1909 13 ALA H H 8.416 0.000 1 50 1909 13 ALA C C 178.051 0.000 1 51 1909 13 ALA CA C 56.116 0.009 1 52 1909 13 ALA CB C 17.714 0.035 1 53 1909 13 ALA N N 123.431 0.008 1 54 1910 14 ILE H H 7.681 0.001 1 55 1910 14 ILE C C 178.222 0.000 1 56 1910 14 ILE CA C 65.095 0.035 1 57 1910 14 ILE CB C 38.155 0.026 1 58 1910 14 ILE N N 117.145 0.010 1 59 1911 15 ILE H H 7.664 0.001 1 60 1911 15 ILE C C 179.286 0.000 1 61 1911 15 ILE CA C 65.522 0.000 1 62 1911 15 ILE CB C 38.159 0.011 1 63 1911 15 ILE N N 119.908 0.022 1 64 1912 16 ILE H H 7.451 0.001 1 65 1912 16 ILE C C 177.262 0.000 1 66 1912 16 ILE CA C 66.207 0.021 1 67 1912 16 ILE CB C 38.809 0.019 1 68 1912 16 ILE N N 119.973 0.009 1 69 1913 17 GLN H H 9.123 0.001 1 70 1913 17 GLN C C 179.072 0.000 1 71 1913 17 GLN CA C 60.227 0.023 1 72 1913 17 GLN CB C 26.899 0.041 1 73 1913 17 GLN N N 120.443 0.016 1 74 1914 18 ARG H H 9.085 0.001 1 75 1914 18 ARG C C 180.125 0.000 1 76 1914 18 ARG CA C 60.040 0.035 1 77 1914 18 ARG CB C 30.252 0.056 1 78 1914 18 ARG N N 116.952 0.017 1 79 1915 19 ALA H H 7.990 0.001 1 80 1915 19 ALA C C 180.484 0.000 1 81 1915 19 ALA CA C 55.291 0.013 1 82 1915 19 ALA CB C 18.649 0.042 1 83 1915 19 ALA N N 122.815 0.008 1 84 1916 20 TYR H H 9.345 0.001 1 85 1916 20 TYR C C 177.425 0.000 1 86 1916 20 TYR CA C 62.075 0.028 1 87 1916 20 TYR CB C 38.357 0.037 1 88 1916 20 TYR N N 122.273 0.010 1 89 1917 21 ARG H H 8.656 0.001 1 90 1917 21 ARG C C 179.507 0.000 1 91 1917 21 ARG CA C 61.184 0.030 1 92 1917 21 ARG CB C 29.681 0.045 1 93 1917 21 ARG N N 118.202 0.025 1 94 1918 22 ARG H H 7.924 0.001 1 95 1918 22 ARG C C 178.619 0.000 1 96 1918 22 ARG CA C 59.979 0.013 1 97 1918 22 ARG CB C 30.313 0.065 1 98 1918 22 ARG N N 119.453 0.004 1 99 1919 23 TYR H H 7.883 0.001 1 100 1919 23 TYR C C 177.450 0.000 1 101 1919 23 TYR CA C 60.832 0.034 1 102 1919 23 TYR CB C 37.810 0.038 1 103 1919 23 TYR N N 123.157 0.016 1 104 1920 24 LEU H H 8.451 0.001 1 105 1920 24 LEU C C 180.016 0.000 1 106 1920 24 LEU CA C 57.497 0.021 1 107 1920 24 LEU CB C 42.200 0.053 1 108 1920 24 LEU N N 120.421 0.010 1 109 1921 25 LEU H H 7.494 0.000 1 110 1921 25 LEU C C 179.160 0.000 1 111 1921 25 LEU CA C 57.378 0.068 1 112 1921 25 LEU CB C 42.004 0.047 1 113 1921 25 LEU N N 118.523 0.008 1 114 1922 26 LYS H H 7.605 0.001 1 115 1922 26 LYS C C 178.046 0.000 1 116 1922 26 LYS CA C 58.174 0.030 1 117 1922 26 LYS CB C 32.450 0.060 1 118 1922 26 LYS N N 118.823 0.012 1 119 1923 27 GLN H H 7.738 0.002 1 120 1923 27 GLN C C 176.952 0.000 1 121 1923 27 GLN CA C 56.454 0.010 1 122 1923 27 GLN CB C 29.119 0.037 1 123 1923 27 GLN N N 117.041 0.009 1 124 1924 28 LYS H H 7.754 0.001 1 125 1924 28 LYS C C 176.890 0.000 1 126 1924 28 LYS CA C 56.963 0.010 1 127 1924 28 LYS CB C 32.743 0.033 1 128 1924 28 LYS N N 119.428 0.010 1 129 1925 29 VAL H H 7.674 0.001 1 130 1925 29 VAL C C 175.882 0.000 1 131 1925 29 VAL CA C 62.472 0.013 1 132 1925 29 VAL CB C 32.449 0.064 1 133 1925 29 VAL N N 118.692 0.006 1 134 1926 30 LYS H H 8.100 0.000 1 135 1926 30 LYS C C 175.450 0.000 1 136 1926 30 LYS CA C 56.362 0.013 1 137 1926 30 LYS CB C 32.953 0.058 1 138 1926 30 LYS N N 125.333 0.005 1 139 1927 31 LYS H H 7.936 0.000 1 140 1927 31 LYS CA C 57.732 0.000 1 141 1927 31 LYS CB C 33.836 0.000 1 142 1927 31 LYS N N 128.628 0.003 1 stop_ save_