data_27190 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of apo calmodulin bound to human NaV1.1 IQ motif peptide ; _BMRB_accession_number 27190 _BMRB_flat_file_name bmr27190.str _Entry_type original _Submission_date 2017-07-21 _Accession_date 2017-07-21 _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 Kilpatrick Adina M. . 2 Lin Zesen . . 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" 164 "13C chemical shifts" 503 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-28 update BMRB 'update entry citation' 2018-05-08 original author 'original release' stop_ _Original_release_date 2017-07-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignments of complexes of apo human calmodulin bound to IQ motif peptides of voltage-dependent sodium channels NaV1.1, NaV1.4 and NaV1.7 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29728980 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Isbell Holly M. . 2 Kilpatrick Adina M. . 3 Lin Zesen . . 4 Mahling Ryan . . 5 Shea Madeline A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 283 _Page_last 289 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Apo CaM NaV1.1 IQ motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Calmodulin $Calmodulin 'NaV1.1 IQ motif peptide' $Human_voltage-gated_sodium_channel_NaV1.1_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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin _Molecular_mass 16706 _Mol_thiol_state 'not present' loop_ _Biological_function 'Essential calcium-binding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASP 3 3 GLN 4 4 LEU 5 5 THR 6 6 GLU 7 7 GLU 8 8 GLN 9 9 ILE 10 10 ALA 11 11 GLU 12 12 PHE 13 13 LYS 14 14 GLU 15 15 ALA 16 16 PHE 17 17 SER 18 18 LEU 19 19 PHE 20 20 ASP 21 21 LYS 22 22 ASP 23 23 GLY 24 24 ASP 25 25 GLY 26 26 THR 27 27 ILE 28 28 THR 29 29 THR 30 30 LYS 31 31 GLU 32 32 LEU 33 33 GLY 34 34 THR 35 35 VAL 36 36 MET 37 37 ARG 38 38 SER 39 39 LEU 40 40 GLY 41 41 GLN 42 42 ASN 43 43 PRO 44 44 THR 45 45 GLU 46 46 ALA 47 47 GLU 48 48 LEU 49 49 GLN 50 50 ASP 51 51 MET 52 52 ILE 53 53 ASN 54 54 GLU 55 55 VAL 56 56 ASP 57 57 ALA 58 58 ASP 59 59 GLY 60 60 ASN 61 61 GLY 62 62 THR 63 63 ILE 64 64 ASP 65 65 PHE 66 66 PRO 67 67 GLU 68 68 PHE 69 69 LEU 70 70 THR 71 71 MET 72 72 MET 73 73 ALA 74 74 ARG 75 75 LYS 76 76 MET 77 77 LYS 78 78 ASP 79 79 THR 80 80 ASP 81 81 SER 82 82 GLU 83 83 GLU 84 84 GLU 85 85 ILE 86 86 ARG 87 87 GLU 88 88 ALA 89 89 PHE 90 90 ARG 91 91 VAL 92 92 PHE 93 93 ASP 94 94 LYS 95 95 ASP 96 96 GLY 97 97 ASN 98 98 GLY 99 99 TYR 100 100 ILE 101 101 SER 102 102 ALA 103 103 ALA 104 104 GLU 105 105 LEU 106 106 ARG 107 107 HIS 108 108 VAL 109 109 MET 110 110 THR 111 111 ASN 112 112 LEU 113 113 GLY 114 114 GLU 115 115 LYS 116 116 LEU 117 117 THR 118 118 ASP 119 119 GLU 120 120 GLU 121 121 VAL 122 122 ASP 123 123 GLU 124 124 MET 125 125 ILE 126 126 ARG 127 127 GLU 128 128 ALA 129 129 ASP 130 130 ILE 131 131 ASP 132 132 GLY 133 133 ASP 134 134 GLY 135 135 GLN 136 136 VAL 137 137 ASN 138 138 TYR 139 139 GLU 140 140 GLU 141 141 PHE 142 142 VAL 143 143 GLN 144 144 MET 145 145 MET 146 146 THR 147 147 ALA 148 148 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 UNP P0DP23 . . . . . . NCBI 801 . . . . . . stop_ save_ save_Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide _Molecular_mass 3633 _Mol_thiol_state 'not present' loop_ _Biological_function 'Initiation and propagation of action potentials' stop_ _Details . _Residue_count 31 _Mol_residue_sequence ; GPGSKRKQEEVSAVIIQRAY RRHLLKRTVKQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 GLY 4 -1 SER 5 1911 LYS 6 1912 ARG 7 1913 LYS 8 1914 GLN 9 1915 GLU 10 1916 GLU 11 1917 VAL 12 1918 SER 13 1919 ALA 14 1920 VAL 15 1921 ILE 16 1922 ILE 17 1923 GLN 18 1924 ARG 19 1925 ALA 20 1926 TYR 21 1927 ARG 22 1928 ARG 23 1929 HIS 24 1930 LEU 25 1931 LEU 26 1932 LYS 27 1933 ARG 28 1934 THR 29 1935 VAL 30 1936 LYS 31 1937 GLN 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 UNP P35498 . . . . . . NCBI 6323 . . . . . . 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 Human 9606 Eukaryota Metazoa Homo sapiens $Human_voltage-gated_sodium_channel_NaV1.1_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 'recombinant technology' . Escherichia coli 'BL21 DE3' pT7-7 $Human_voltage-gated_sodium_channel_NaV1.1_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 0.85 mM '[U-99% 13C; U-99% 15N]' $Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide 0.85 mM '[U-99% 13C; U-99% 15N]' EDTA 0.1 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' imidazole 10 mM 'natural abundance' 'sodium azide' 0.01 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . 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 '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 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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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 HNCA' '3D HNCO' '3D HN(CA)CO' 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 _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 2 ASP C C 175.521 0.000 1 2 2 2 ASP CA C 54.876 0.058 1 3 2 2 ASP CB C 41.385 0.046 1 4 3 3 GLN H H 8.197 0.001 1 5 3 3 GLN C C 175.654 0.025 1 6 3 3 GLN CA C 55.432 0.090 1 7 3 3 GLN CB C 30.400 0.062 1 8 3 3 GLN N N 118.613 0.018 1 9 4 4 LEU H H 8.291 0.002 1 10 4 4 LEU C C 177.524 0.004 1 11 4 4 LEU CA C 54.383 0.075 1 12 4 4 LEU CB C 43.484 0.039 1 13 4 4 LEU N N 122.033 0.036 1 14 5 5 THR H H 8.754 0.003 1 15 5 5 THR C C 175.382 0.008 1 16 5 5 THR CA C 60.438 0.049 1 17 5 5 THR CB C 71.106 0.009 1 18 5 5 THR N N 113.074 0.038 1 19 6 6 GLU H H 9.020 0.004 1 20 6 6 GLU C C 179.472 0.016 1 21 6 6 GLU CA C 60.035 0.053 1 22 6 6 GLU CB C 29.207 0.063 1 23 6 6 GLU N N 120.395 0.019 1 24 7 7 GLU H H 8.729 0.003 1 25 7 7 GLU C C 179.285 0.020 1 26 7 7 GLU CA C 60.195 0.048 1 27 7 7 GLU CB C 29.077 0.031 1 28 7 7 GLU N N 119.484 0.022 1 29 8 8 GLN H H 7.717 0.005 1 30 8 8 GLN C C 177.610 0.032 1 31 8 8 GLN CA C 58.782 0.043 1 32 8 8 GLN CB C 29.045 0.015 1 33 8 8 GLN N N 120.647 0.060 1 34 9 9 ILE H H 8.222 0.004 1 35 9 9 ILE C C 177.654 0.072 1 36 9 9 ILE CA C 66.739 0.038 1 37 9 9 ILE CB C 38.216 0.009 1 38 9 9 ILE N N 118.583 0.043 1 39 10 10 ALA H H 7.911 0.003 1 40 10 10 ALA C C 180.730 0.003 1 41 10 10 ALA CA C 55.382 0.046 1 42 10 10 ALA CB C 17.996 0.044 1 43 10 10 ALA N N 120.563 0.029 1 44 11 11 GLU H H 7.780 0.002 1 45 11 11 GLU C C 180.250 0.016 1 46 11 11 GLU CA C 59.463 0.049 1 47 11 11 GLU CB C 29.465 0.001 1 48 11 11 GLU N N 120.340 0.037 1 49 12 12 PHE H H 8.792 0.005 1 50 12 12 PHE C C 178.005 0.023 1 51 12 12 PHE CA C 58.401 0.044 1 52 12 12 PHE CB C 36.966 0.075 1 53 12 12 PHE N N 120.438 0.036 1 54 13 13 LYS H H 9.228 0.006 1 55 13 13 LYS C C 179.130 0.003 1 56 13 13 LYS CA C 59.805 0.038 1 57 13 13 LYS CB C 32.105 0.077 1 58 13 13 LYS N N 121.631 0.036 1 59 14 14 GLU H H 8.059 0.003 1 60 14 14 GLU C C 178.815 0.037 1 61 14 14 GLU CA C 59.535 0.061 1 62 14 14 GLU CB C 29.356 0.082 1 63 14 14 GLU N N 120.604 0.007 1 64 15 15 ALA H H 7.645 0.002 1 65 15 15 ALA C C 178.925 0.033 1 66 15 15 ALA CA C 55.094 0.074 1 67 15 15 ALA CB C 19.307 0.009 1 68 15 15 ALA N N 120.977 0.031 1 69 16 16 PHE H H 8.520 0.004 1 70 16 16 PHE C C 177.449 0.001 1 71 16 16 PHE CA C 61.955 0.007 1 72 16 16 PHE CB C 40.828 0.023 1 73 16 16 PHE N N 118.001 0.046 1 74 17 17 SER H H 8.413 0.006 1 75 17 17 SER C C 175.827 0.027 1 76 17 17 SER CA C 61.736 0.041 1 77 17 17 SER N N 111.139 0.045 1 78 18 18 LEU H H 7.347 0.005 1 79 18 18 LEU C C 177.869 0.001 1 80 18 18 LEU CA C 57.082 0.050 1 81 18 18 LEU CB C 41.696 0.031 1 82 18 18 LEU N N 121.318 0.050 1 83 19 19 PHE H H 7.373 0.004 1 84 19 19 PHE C C 174.512 0.042 1 85 19 19 PHE CA C 58.481 0.011 1 86 19 19 PHE CB C 39.749 0.013 1 87 19 19 PHE N N 114.869 0.039 1 88 20 20 ASP H H 7.297 0.004 1 89 20 20 ASP C C 176.958 0.001 1 90 20 20 ASP CA C 52.686 0.107 1 91 20 20 ASP CB C 40.016 0.116 1 92 20 20 ASP N N 122.633 0.058 1 93 21 21 LYS H H 8.066 0.003 1 94 21 21 LYS C C 177.826 0.043 1 95 21 21 LYS CA C 58.444 0.058 1 96 21 21 LYS CB C 32.528 0.037 1 97 21 21 LYS N N 123.832 0.035 1 98 22 22 ASP H H 8.727 0.004 1 99 22 22 ASP C C 176.794 0.003 1 100 22 22 ASP CA C 54.510 0.073 1 101 22 22 ASP CB C 41.261 0.084 1 102 22 22 ASP N N 117.303 0.047 1 103 23 23 GLY H H 8.004 0.005 1 104 23 23 GLY C C 175.184 0.046 1 105 23 23 GLY CA C 46.823 0.017 1 106 23 23 GLY N N 110.442 0.025 1 107 24 24 ASP H H 8.759 0.002 1 108 24 24 ASP C C 177.361 0.052 1 109 24 24 ASP CA C 53.891 0.057 1 110 24 24 ASP CB C 41.424 0.034 1 111 24 24 ASP N N 120.879 0.056 1 112 25 25 GLY H H 10.164 0.004 1 113 25 25 GLY C C 174.152 0.034 1 114 25 25 GLY CA C 45.934 0.008 1 115 25 25 GLY N N 112.171 0.033 1 116 26 26 THR H H 7.587 0.005 1 117 26 26 THR CA C 59.932 0.047 1 118 26 26 THR N N 110.074 0.023 1 119 27 27 ILE C C 175.925 0.000 1 120 27 27 ILE CA C 59.096 0.100 1 121 27 27 ILE CB C 41.595 0.000 1 122 28 28 THR H H 8.327 0.004 1 123 28 28 THR C C 176.803 0.001 1 124 28 28 THR CA C 60.646 0.044 1 125 28 28 THR CB C 70.627 0.071 1 126 28 28 THR N N 110.926 0.037 1 127 29 29 THR H H 8.300 0.004 1 128 29 29 THR C C 177.079 0.046 1 129 29 29 THR CA C 65.130 0.064 1 130 29 29 THR CB C 67.496 0.002 1 131 29 29 THR N N 112.743 0.030 1 132 30 30 LYS H H 7.638 0.003 1 133 30 30 LYS C C 177.971 0.031 1 134 30 30 LYS CA C 58.387 0.062 1 135 30 30 LYS CB C 32.263 0.058 1 136 30 30 LYS N N 119.088 0.054 1 137 31 31 GLU H H 7.506 0.003 1 138 31 31 GLU C C 176.249 0.030 1 139 31 31 GLU CA C 56.116 0.108 1 140 31 31 GLU CB C 29.874 0.000 1 141 31 31 GLU N N 117.749 0.048 1 142 32 32 LEU H H 7.361 0.004 1 143 32 32 LEU C C 178.090 0.052 1 144 32 32 LEU CA C 58.630 0.073 1 145 32 32 LEU CB C 41.802 0.028 1 146 32 32 LEU N N 121.097 0.025 1 147 33 33 GLY H H 8.797 0.004 1 148 33 33 GLY C C 174.934 0.018 1 149 33 33 GLY CA C 48.272 0.151 1 150 33 33 GLY N N 105.656 0.019 1 151 34 34 THR H H 7.506 0.002 1 152 34 34 THR C C 177.306 0.045 1 153 34 34 THR CA C 66.037 0.023 1 154 34 34 THR CB C 68.191 0.046 1 155 34 34 THR N N 118.546 0.018 1 156 35 35 VAL H H 7.961 0.005 1 157 35 35 VAL C C 179.215 0.007 1 158 35 35 VAL CA C 66.373 0.047 1 159 35 35 VAL CB C 31.173 0.160 1 160 35 35 VAL N N 122.964 0.046 1 161 36 36 MET H H 8.454 0.003 1 162 36 36 MET C C 179.052 0.081 1 163 36 36 MET CA C 60.243 0.015 1 164 36 36 MET CB C 31.810 0.072 1 165 36 36 MET N N 118.704 0.029 1 166 37 37 ARG H H 8.508 0.002 1 167 37 37 ARG C C 181.293 0.027 1 168 37 37 ARG CA C 59.257 0.065 1 169 37 37 ARG CB C 30.185 0.117 1 170 37 37 ARG N N 119.680 0.044 1 171 38 38 SER H H 8.112 0.002 1 172 38 38 SER C C 175.025 0.045 1 173 38 38 SER CA C 61.746 0.021 1 174 38 38 SER CB C 62.980 0.056 1 175 38 38 SER N N 119.228 0.044 1 176 39 39 LEU H H 7.339 0.003 1 177 39 39 LEU C C 177.176 0.025 1 178 39 39 LEU CA C 54.513 0.087 1 179 39 39 LEU CB C 42.875 0.081 1 180 39 39 LEU N N 121.270 0.022 1 181 40 40 GLY H H 7.925 0.003 1 182 40 40 GLY C C 174.349 0.020 1 183 40 40 GLY CA C 45.790 0.024 1 184 40 40 GLY N N 107.363 0.033 1 185 41 41 GLN H H 7.767 0.002 1 186 41 41 GLN C C 174.037 0.018 1 187 41 41 GLN CA C 54.158 0.067 1 188 41 41 GLN CB C 30.124 0.029 1 189 41 41 GLN N N 117.983 0.023 1 190 42 42 ASN H H 8.661 0.003 1 191 42 42 ASN C C 172.082 0.000 1 192 42 42 ASN CA C 51.289 0.004 1 193 42 42 ASN CB C 39.327 0.000 1 194 42 42 ASN N N 116.756 0.071 1 195 43 43 PRO C C 177.593 0.000 1 196 43 43 PRO CA C 62.379 0.094 1 197 43 43 PRO CB C 31.986 0.000 1 198 44 44 THR H H 8.755 0.003 1 199 44 44 THR C C 175.088 0.035 1 200 44 44 THR CA C 60.741 0.009 1 201 44 44 THR CB C 70.961 0.010 1 202 44 44 THR N N 113.389 0.039 1 203 45 45 GLU H H 8.857 0.005 1 204 45 45 GLU C C 179.175 0.025 1 205 45 45 GLU CA C 60.057 0.041 1 206 45 45 GLU CB C 29.070 0.014 1 207 45 45 GLU N N 120.681 0.038 1 208 46 46 ALA H H 8.325 0.003 1 209 46 46 ALA C C 180.100 0.040 1 210 46 46 ALA CA C 55.068 0.048 1 211 46 46 ALA CB C 18.303 0.026 1 212 46 46 ALA N N 121.216 0.048 1 213 47 47 GLU H H 7.731 0.004 1 214 47 47 GLU C C 179.905 0.012 1 215 47 47 GLU CA C 58.892 0.062 1 216 47 47 GLU CB C 30.061 0.020 1 217 47 47 GLU N N 119.094 0.024 1 218 48 48 LEU H H 8.339 0.003 1 219 48 48 LEU C C 178.360 0.018 1 220 48 48 LEU CA C 58.065 0.059 1 221 48 48 LEU CB C 41.869 0.049 1 222 48 48 LEU N N 120.326 0.039 1 223 49 49 GLN H H 8.065 0.003 1 224 49 49 GLN C C 178.283 0.026 1 225 49 49 GLN CA C 58.671 0.063 1 226 49 49 GLN CB C 28.159 0.064 1 227 49 49 GLN N N 117.737 0.032 1 228 50 50 ASP H H 7.833 0.002 1 229 50 50 ASP C C 178.892 0.051 1 230 50 50 ASP CA C 57.493 0.055 1 231 50 50 ASP CB C 40.464 0.062 1 232 50 50 ASP N N 119.117 0.016 1 233 51 51 MET H H 7.943 0.002 1 234 51 51 MET C C 178.416 0.006 1 235 51 51 MET CA C 59.740 0.028 1 236 51 51 MET CB C 34.176 0.042 1 237 51 51 MET N N 119.291 0.029 1 238 52 52 ILE H H 8.325 0.004 1 239 52 52 ILE C C 177.539 0.006 1 240 52 52 ILE CA C 65.363 0.023 1 241 52 52 ILE CB C 38.191 0.114 1 242 52 52 ILE N N 119.253 0.068 1 243 53 53 ASN H H 8.253 0.004 1 244 53 53 ASN C C 176.819 0.008 1 245 53 53 ASN CA C 55.413 0.077 1 246 53 53 ASN CB C 38.260 0.060 1 247 53 53 ASN N N 117.585 0.050 1 248 54 54 GLU H H 7.580 0.003 1 249 54 54 GLU C C 177.821 0.039 1 250 54 54 GLU CA C 58.442 0.058 1 251 54 54 GLU CB C 30.226 0.097 1 252 54 54 GLU N N 117.567 0.028 1 253 55 55 VAL H H 7.634 0.005 1 254 55 55 VAL C C 175.719 0.011 1 255 55 55 VAL CA C 62.319 0.023 1 256 55 55 VAL CB C 32.861 0.109 1 257 55 55 VAL N N 113.256 0.027 1 258 56 56 ASP H H 8.459 0.004 1 259 56 56 ASP C C 176.926 0.009 1 260 56 56 ASP CA C 53.599 0.074 1 261 56 56 ASP CB C 40.734 0.050 1 262 56 56 ASP N N 122.140 0.062 1 263 57 57 ALA H H 8.153 0.004 1 264 57 57 ALA C C 179.012 0.014 1 265 57 57 ALA CA C 54.755 0.069 1 266 57 57 ALA CB C 18.989 0.066 1 267 57 57 ALA N N 125.152 0.047 1 268 58 58 ASP H H 8.435 0.003 1 269 58 58 ASP C C 177.021 0.000 1 270 58 58 ASP CA C 54.503 0.055 1 271 58 58 ASP CB C 41.137 0.034 1 272 58 58 ASP N N 115.041 0.039 1 273 59 59 GLY H H 7.908 0.003 1 274 59 59 GLY C C 175.454 0.002 1 275 59 59 GLY CA C 46.831 0.055 1 276 59 59 GLY N N 109.196 0.026 1 277 60 60 ASN H H 9.255 0.005 1 278 60 60 ASN C C 177.050 0.024 1 279 60 60 ASN CA C 54.306 0.064 1 280 60 60 ASN CB C 39.355 0.032 1 281 60 60 ASN N N 119.949 0.013 1 282 61 61 GLY H H 9.960 0.007 1 283 61 61 GLY C C 174.627 0.027 1 284 61 61 GLY CA C 45.875 0.016 1 285 61 61 GLY N N 110.389 0.067 1 286 62 62 THR H H 7.566 0.004 1 287 62 62 THR C C 172.830 0.008 1 288 62 62 THR CA C 59.763 0.025 1 289 62 62 THR CB C 72.608 0.041 1 290 62 62 THR N N 111.016 0.018 1 291 63 63 ILE H H 8.905 0.004 1 292 63 63 ILE C C 174.446 0.000 1 293 63 63 ILE CA C 59.953 0.011 1 294 63 63 ILE CB C 41.720 0.000 1 295 63 63 ILE N N 119.092 0.065 1 296 64 64 ASP H H 8.528 0.009 1 297 64 64 ASP C C 176.157 0.076 1 298 64 64 ASP CA C 52.096 0.100 1 299 64 64 ASP CB C 42.226 0.076 1 300 64 64 ASP N N 124.652 0.041 1 301 65 65 PHE H H 8.646 0.004 1 302 65 65 PHE C C 173.814 0.000 1 303 65 65 PHE CA C 62.984 0.035 1 304 65 65 PHE N N 118.938 0.081 1 305 66 66 PRO C C 179.880 0.000 1 306 66 66 PRO CA C 66.445 0.000 1 307 66 66 PRO CB C 30.575 0.000 1 308 67 67 GLU H H 8.072 0.003 1 309 67 67 GLU C C 179.041 0.037 1 310 67 67 GLU CA C 59.181 0.038 1 311 67 67 GLU CB C 29.534 0.118 1 312 67 67 GLU N N 117.856 0.057 1 313 68 68 PHE H H 8.466 0.005 1 314 68 68 PHE C C 176.783 0.024 1 315 68 68 PHE CA C 61.494 0.028 1 316 68 68 PHE CB C 39.531 0.050 1 317 68 68 PHE N N 122.669 0.028 1 318 69 69 LEU H H 8.463 0.002 1 319 69 69 LEU C C 179.328 0.036 1 320 69 69 LEU CA C 57.855 0.080 1 321 69 69 LEU CB C 40.967 0.056 1 322 69 69 LEU N N 118.802 0.049 1 323 70 70 THR H H 7.730 0.003 1 324 70 70 THR C C 176.640 0.019 1 325 70 70 THR CA C 66.524 0.043 1 326 70 70 THR CB C 68.488 0.031 1 327 70 70 THR N N 115.737 0.024 1 328 71 71 MET H H 7.739 0.004 1 329 71 71 MET C C 178.582 0.038 1 330 71 71 MET CA C 59.004 0.045 1 331 71 71 MET CB C 32.662 0.062 1 332 71 71 MET N N 121.628 0.038 1 333 72 72 MET H H 8.030 0.003 1 334 72 72 MET C C 178.554 0.032 1 335 72 72 MET CA C 56.012 0.079 1 336 72 72 MET CB C 30.978 0.079 1 337 72 72 MET N N 117.769 0.086 1 338 73 73 ALA H H 8.313 0.002 1 339 73 73 ALA C C 179.837 0.026 1 340 73 73 ALA CA C 54.964 0.053 1 341 73 73 ALA CB C 17.978 0.030 1 342 73 73 ALA N N 121.387 0.055 1 343 74 74 ARG H H 7.474 0.004 1 344 74 74 ARG C C 178.223 0.012 1 345 74 74 ARG CA C 58.749 0.029 1 346 74 74 ARG CB C 30.255 0.061 1 347 74 74 ARG N N 116.802 0.042 1 348 75 75 LYS H H 7.713 0.003 1 349 75 75 LYS C C 177.836 0.004 1 350 75 75 LYS CA C 56.776 0.055 1 351 75 75 LYS CB C 31.769 0.034 1 352 75 75 LYS N N 118.433 0.039 1 353 76 76 MET H H 7.920 0.001 1 354 76 76 MET C C 176.585 0.008 1 355 76 76 MET CA C 56.492 0.071 1 356 76 76 MET CB C 32.906 0.067 1 357 76 76 MET N N 117.633 0.040 1 358 77 77 LYS H H 7.670 0.001 1 359 77 77 LYS C C 176.459 0.005 1 360 77 77 LYS CA C 56.949 0.060 1 361 77 77 LYS CB C 33.031 0.045 1 362 77 77 LYS N N 120.580 0.041 1 363 78 78 ASP H H 8.271 0.002 1 364 78 78 ASP C C 176.366 0.008 1 365 78 78 ASP CA C 54.666 0.083 1 366 78 78 ASP CB C 41.115 0.032 1 367 78 78 ASP N N 121.703 0.044 1 368 79 79 THR H H 7.984 0.002 1 369 79 79 THR C C 174.034 0.032 1 370 79 79 THR CA C 62.098 0.027 1 371 79 79 THR CB C 70.024 0.072 1 372 79 79 THR N N 114.417 0.027 1 373 80 80 ASP H H 8.238 0.002 1 374 80 80 ASP C C 175.974 0.044 1 375 80 80 ASP CA C 54.523 0.047 1 376 80 80 ASP CB C 41.800 0.023 1 377 80 80 ASP N N 122.750 0.020 1 378 81 81 SER H H 8.550 0.003 1 379 81 81 SER C C 175.077 0.004 1 380 81 81 SER CA C 58.572 0.055 1 381 81 81 SER CB C 64.367 0.065 1 382 81 81 SER N N 117.337 0.052 1 383 82 82 GLU H H 8.813 0.007 1 384 82 82 GLU C C 177.839 0.034 1 385 82 82 GLU CA C 60.169 0.053 1 386 82 82 GLU CB C 29.760 0.016 1 387 82 82 GLU N N 122.749 0.031 1 388 83 83 GLU H H 8.374 0.002 1 389 83 83 GLU C C 178.430 0.014 1 390 83 83 GLU CA C 59.526 0.066 1 391 83 83 GLU CB C 29.347 0.055 1 392 83 83 GLU N N 118.173 0.020 1 393 84 84 GLU H H 7.856 0.004 1 394 84 84 GLU C C 179.434 0.000 1 395 84 84 GLU CA C 59.315 0.075 1 396 84 84 GLU CB C 29.833 0.082 1 397 84 84 GLU N N 118.994 0.021 1 398 85 85 ILE H H 8.053 0.004 1 399 85 85 ILE C C 177.682 0.012 1 400 85 85 ILE CA C 64.893 0.017 1 401 85 85 ILE CB C 37.908 0.071 1 402 85 85 ILE N N 119.835 0.082 1 403 86 86 ARG H H 8.495 0.006 1 404 86 86 ARG C C 178.423 0.003 1 405 86 86 ARG CA C 61.565 0.051 1 406 86 86 ARG CB C 30.497 0.124 1 407 86 86 ARG N N 120.521 0.042 1 408 87 87 GLU H H 8.358 0.004 1 409 87 87 GLU C C 178.299 0.045 1 410 87 87 GLU CA C 58.897 0.069 1 411 87 87 GLU CB C 29.266 0.095 1 412 87 87 GLU N N 116.606 0.022 1 413 88 88 ALA H H 7.624 0.004 1 414 88 88 ALA C C 178.850 0.013 1 415 88 88 ALA CA C 54.914 0.082 1 416 88 88 ALA CB C 18.347 0.070 1 417 88 88 ALA N N 122.310 0.030 1 418 89 89 PHE H H 7.693 0.003 1 419 89 89 PHE C C 178.696 0.013 1 420 89 89 PHE CA C 62.890 0.083 1 421 89 89 PHE CB C 40.118 0.043 1 422 89 89 PHE N N 114.241 0.022 1 423 90 90 ARG H H 7.943 0.004 1 424 90 90 ARG C C 178.939 0.032 1 425 90 90 ARG CA C 59.553 0.043 1 426 90 90 ARG CB C 29.995 0.037 1 427 90 90 ARG N N 117.497 0.052 1 428 91 91 VAL H H 7.069 0.004 1 429 91 91 VAL C C 176.629 0.011 1 430 91 91 VAL CA C 65.389 0.034 1 431 91 91 VAL CB C 31.361 0.054 1 432 91 91 VAL N N 118.671 0.068 1 433 92 92 PHE H H 7.311 0.003 1 434 92 92 PHE C C 174.440 0.048 1 435 92 92 PHE CA C 58.258 0.073 1 436 92 92 PHE CB C 39.385 0.007 1 437 92 92 PHE N N 116.551 0.040 1 438 93 93 ASP H H 7.518 0.005 1 439 93 93 ASP C C 176.284 0.048 1 440 93 93 ASP CA C 52.552 0.066 1 441 93 93 ASP CB C 40.445 0.036 1 442 93 93 ASP N N 120.592 0.025 1 443 94 94 LYS H H 8.409 0.004 1 444 94 94 LYS C C 178.156 0.040 1 445 94 94 LYS CA C 58.644 0.042 1 446 94 94 LYS CB C 32.522 0.057 1 447 94 94 LYS N N 125.146 0.025 1 448 95 95 ASP H H 8.486 0.003 1 449 95 95 ASP C C 176.972 0.003 1 450 95 95 ASP CA C 55.167 0.052 1 451 95 95 ASP CB C 41.593 0.019 1 452 95 95 ASP N N 116.993 0.034 1 453 96 96 GLY H H 8.287 0.004 1 454 96 96 GLY C C 175.129 0.058 1 455 96 96 GLY CA C 46.736 0.045 1 456 96 96 GLY N N 109.767 0.040 1 457 97 97 ASN H H 8.790 0.006 1 458 97 97 ASN C C 175.965 0.027 1 459 97 97 ASN CA C 53.362 0.079 1 460 97 97 ASN CB C 39.657 0.077 1 461 97 97 ASN N N 118.032 0.037 1 462 98 98 GLY H H 9.672 0.004 1 463 98 98 GLY C C 172.633 0.042 1 464 98 98 GLY CA C 45.269 0.020 1 465 98 98 GLY N N 109.760 0.035 1 466 99 99 TYR H H 7.963 0.003 1 467 99 99 TYR C C 174.905 0.004 1 468 99 99 TYR CA C 56.098 0.068 1 469 99 99 TYR CB C 42.112 0.093 1 470 99 99 TYR N N 117.638 0.043 1 471 100 100 ILE H H 8.711 0.005 1 472 100 100 ILE C C 174.507 0.045 1 473 100 100 ILE CA C 59.477 0.064 1 474 100 100 ILE CB C 43.145 0.023 1 475 100 100 ILE N N 116.596 0.042 1 476 101 101 SER H H 9.128 0.005 1 477 101 101 SER C C 175.529 0.001 1 478 101 101 SER CA C 58.425 0.101 1 479 101 101 SER CB C 63.949 0.072 1 480 101 101 SER N N 122.928 0.021 1 481 102 102 ALA H H 9.002 0.003 1 482 102 102 ALA C C 179.201 0.044 1 483 102 102 ALA CA C 55.497 0.085 1 484 102 102 ALA CB C 18.109 0.080 1 485 102 102 ALA N N 127.908 0.042 1 486 103 103 ALA H H 8.430 0.002 1 487 103 103 ALA C C 180.909 0.065 1 488 103 103 ALA CA C 55.180 0.045 1 489 103 103 ALA CB C 18.297 0.028 1 490 103 103 ALA N N 119.556 0.020 1 491 104 104 GLU H H 7.875 0.003 1 492 104 104 GLU C C 178.500 0.035 1 493 104 104 GLU CA C 58.973 0.066 1 494 104 104 GLU CB C 29.505 0.037 1 495 104 104 GLU N N 120.979 0.052 1 496 105 105 LEU H H 8.524 0.003 1 497 105 105 LEU C C 177.804 0.025 1 498 105 105 LEU CA C 57.725 0.041 1 499 105 105 LEU CB C 41.553 0.114 1 500 105 105 LEU N N 120.141 0.033 1 501 106 106 ARG H H 8.398 0.002 1 502 106 106 ARG C C 178.448 0.043 1 503 106 106 ARG CA C 59.818 0.042 1 504 106 106 ARG CB C 30.300 0.027 1 505 106 106 ARG N N 117.351 0.053 1 506 107 107 HIS H H 7.761 0.003 1 507 107 107 HIS C C 177.950 0.032 1 508 107 107 HIS CA C 60.649 0.068 1 509 107 107 HIS CB C 30.245 0.000 1 510 107 107 HIS N N 118.762 0.054 1 511 108 108 VAL H H 8.611 0.006 1 512 108 108 VAL C C 177.827 0.019 1 513 108 108 VAL CA C 66.410 0.016 1 514 108 108 VAL CB C 31.852 0.053 1 515 108 108 VAL N N 117.795 0.032 1 516 109 109 MET H H 8.148 0.004 1 517 109 109 MET C C 178.284 0.003 1 518 109 109 MET CA C 56.382 0.055 1 519 109 109 MET CB C 36.747 0.005 1 520 109 109 MET N N 112.347 0.031 1 521 110 110 THR H H 7.463 0.004 1 522 110 110 THR C C 174.741 0.000 1 523 110 110 THR CA C 61.877 0.018 1 524 110 110 THR CB C 70.747 0.097 1 525 110 110 THR N N 104.119 0.038 1 526 111 111 ASN H H 7.390 0.003 1 527 111 111 ASN C C 173.486 0.003 1 528 111 111 ASN CA C 54.808 0.070 1 529 111 111 ASN CB C 41.245 0.021 1 530 111 111 ASN N N 116.658 0.039 1 531 112 112 LEU H H 7.633 0.003 1 532 112 112 LEU C C 176.667 0.014 1 533 112 112 LEU CA C 53.612 0.124 1 534 112 112 LEU CB C 45.903 0.020 1 535 112 112 LEU N N 120.099 0.028 1 536 113 113 GLY H H 8.981 0.003 1 537 113 113 GLY C C 176.094 0.039 1 538 113 113 GLY CA C 47.731 0.178 1 539 113 113 GLY N N 106.302 0.023 1 540 114 114 GLU H H 9.409 0.008 1 541 114 114 GLU C C 175.370 0.028 1 542 114 114 GLU CA C 54.835 0.098 1 543 114 114 GLU CB C 26.523 0.032 1 544 114 114 GLU N N 129.927 0.040 1 545 115 115 LYS H H 6.793 0.004 1 546 115 115 LYS C C 177.801 0.034 1 547 115 115 LYS CA C 57.873 0.043 1 548 115 115 LYS CB C 33.744 0.049 1 549 115 115 LYS N N 115.612 0.035 1 550 116 116 LEU H H 8.472 0.002 1 551 116 116 LEU C C 177.607 0.063 1 552 116 116 LEU CA C 54.413 0.087 1 553 116 116 LEU CB C 41.852 0.051 1 554 116 116 LEU N N 122.330 0.044 1 555 117 117 THR H H 9.380 0.004 1 556 117 117 THR C C 175.221 0.003 1 557 117 117 THR CA C 60.726 0.034 1 558 117 117 THR CB C 71.156 0.076 1 559 117 117 THR N N 112.400 0.014 1 560 118 118 ASP H H 8.729 0.004 1 561 118 118 ASP C C 177.649 0.026 1 562 118 118 ASP CA C 57.844 0.040 1 563 118 118 ASP CB C 40.170 0.075 1 564 118 118 ASP N N 120.437 0.028 1 565 119 119 GLU H H 8.359 0.003 1 566 119 119 GLU C C 180.105 0.012 1 567 119 119 GLU CA C 59.857 0.052 1 568 119 119 GLU CB C 29.625 0.034 1 569 119 119 GLU N N 117.184 0.032 1 570 120 120 GLU H H 7.826 0.003 1 571 120 120 GLU C C 178.673 0.012 1 572 120 120 GLU CA C 59.495 0.032 1 573 120 120 GLU CB C 32.372 0.118 1 574 120 120 GLU N N 119.600 0.022 1 575 121 121 VAL H H 8.757 0.004 1 576 121 121 VAL C C 176.358 0.014 1 577 121 121 VAL CA C 64.566 0.031 1 578 121 121 VAL CB C 31.135 0.039 1 579 121 121 VAL N N 118.513 0.023 1 580 122 122 ASP H H 8.271 0.002 1 581 122 122 ASP C C 179.778 0.024 1 582 122 122 ASP CA C 57.506 0.062 1 583 122 122 ASP CB C 39.958 0.033 1 584 122 122 ASP N N 123.344 0.053 1 585 123 123 GLU H H 7.433 0.005 1 586 123 123 GLU C C 177.559 0.011 1 587 123 123 GLU CA C 59.011 0.019 1 588 123 123 GLU CB C 28.868 0.001 1 589 123 123 GLU N N 120.938 0.046 1 590 124 124 MET H H 8.101 0.003 1 591 124 124 MET C C 177.839 0.006 1 592 124 124 MET CA C 60.248 0.061 1 593 124 124 MET CB C 33.658 0.016 1 594 124 124 MET N N 121.596 0.019 1 595 125 125 ILE H H 8.314 0.006 1 596 125 125 ILE C C 177.931 0.004 1 597 125 125 ILE CA C 62.742 0.060 1 598 125 125 ILE CB C 35.683 0.028 1 599 125 125 ILE N N 116.179 0.012 1 600 126 126 ARG H H 7.786 0.004 1 601 126 126 ARG C C 178.857 0.000 1 602 126 126 ARG CA C 59.580 0.000 1 603 126 126 ARG CB C 30.315 0.000 1 604 126 126 ARG N N 120.057 0.077 1 605 128 128 ALA C C 177.134 0.000 1 606 128 128 ALA CA C 53.055 0.000 1 607 128 128 ALA CB C 19.433 0.000 1 608 129 129 ASP H H 8.312 0.005 1 609 129 129 ASP C C 176.343 0.045 1 610 129 129 ASP CA C 52.926 0.090 1 611 129 129 ASP CB C 39.679 0.000 1 612 129 129 ASP N N 118.951 0.020 1 613 130 130 ILE H H 7.853 0.005 1 614 130 130 ILE CA C 62.710 0.000 1 615 130 130 ILE CB C 39.334 0.000 1 616 130 130 ILE N N 121.792 0.056 1 617 132 132 GLY C C 174.704 0.000 1 618 132 132 GLY CA C 46.749 0.009 1 619 133 133 ASP H H 8.384 0.005 1 620 133 133 ASP C C 177.356 0.000 1 621 133 133 ASP CA C 53.731 0.061 1 622 133 133 ASP CB C 41.497 0.000 1 623 133 133 ASP N N 119.537 0.031 1 624 134 134 GLY C C 174.171 0.000 1 625 134 134 GLY CA C 46.078 0.000 1 626 135 135 GLN H H 8.257 0.004 1 627 135 135 GLN C C 174.156 0.000 1 628 135 135 GLN CA C 54.718 0.013 1 629 135 135 GLN CB C 30.357 0.000 1 630 135 135 GLN N N 120.630 0.048 1 631 136 136 VAL C C 175.083 0.000 1 632 136 136 VAL CA C 61.778 0.061 1 633 137 137 ASN H H 9.090 0.004 1 634 137 137 ASN C C 176.003 0.006 1 635 137 137 ASN CA C 52.017 0.076 1 636 137 137 ASN CB C 37.228 0.134 1 637 137 137 ASN N N 127.188 0.048 1 638 138 138 TYR H H 7.272 0.006 1 639 138 138 TYR C C 176.248 0.077 1 640 138 138 TYR CA C 59.448 0.032 1 641 138 138 TYR CB C 37.011 0.175 1 642 138 138 TYR N N 122.936 0.024 1 643 139 139 GLU H H 8.190 0.003 1 644 139 139 GLU C C 179.135 0.019 1 645 139 139 GLU CA C 59.974 0.042 1 646 139 139 GLU CB C 28.258 0.073 1 647 139 139 GLU N N 126.149 0.052 1 648 140 140 GLU H H 7.319 0.004 1 649 140 140 GLU C C 179.266 0.000 1 650 140 140 GLU CA C 58.784 0.056 1 651 140 140 GLU CB C 29.432 0.000 1 652 140 140 GLU N N 118.129 0.016 1 653 141 141 PHE C C 177.516 0.008 1 654 141 141 PHE CA C 60.110 0.000 1 655 141 141 PHE CB C 39.362 0.007 1 656 142 142 VAL H H 8.567 0.003 1 657 142 142 VAL C C 178.582 0.068 1 658 142 142 VAL CA C 67.413 0.070 1 659 142 142 VAL CB C 31.395 0.032 1 660 142 142 VAL N N 119.098 0.045 1 661 143 143 GLN H H 7.603 0.007 1 662 143 143 GLN C C 177.921 0.021 1 663 143 143 GLN CA C 58.846 0.051 1 664 143 143 GLN CB C 27.996 0.023 1 665 143 143 GLN N N 118.551 0.027 1 666 144 144 MET H H 7.691 0.003 1 667 144 144 MET C C 178.760 0.036 1 668 144 144 MET CA C 58.854 0.021 1 669 144 144 MET CB C 31.721 0.050 1 670 144 144 MET N N 118.913 0.018 1 671 145 145 MET H H 7.982 0.005 1 672 145 145 MET C C 176.939 0.020 1 673 145 145 MET CA C 58.427 0.059 1 674 145 145 MET CB C 34.136 0.032 1 675 145 145 MET N N 115.221 0.024 1 676 146 146 THR H H 7.588 0.003 1 677 146 146 THR C C 174.344 0.002 1 678 146 146 THR CA C 61.869 0.045 1 679 146 146 THR CB C 69.768 0.038 1 680 146 146 THR N N 108.362 0.026 1 681 147 147 ALA H H 7.340 0.003 1 682 147 147 ALA C C 177.115 0.013 1 683 147 147 ALA CA C 53.314 0.072 1 684 147 147 ALA CB C 19.260 0.037 1 685 147 147 ALA N N 126.352 0.014 1 686 148 148 LYS H H 8.103 0.002 1 687 148 148 LYS C C 181.669 0.000 1 688 148 148 LYS CA C 57.932 0.028 1 689 148 148 LYS CB C 33.655 0.000 1 690 148 148 LYS N N 126.343 0.015 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 HNCA' '3D HNCO' '3D HN(CA)CO' 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 'NaV1.1 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 C C 174.458 0.000 1 2 -2 3 GLY CA C 45.357 0.050 1 3 -1 4 SER H H 8.178 0.004 1 4 -1 4 SER C C 175.220 0.072 1 5 -1 4 SER CA C 58.915 0.063 1 6 -1 4 SER CB C 63.740 0.057 1 7 -1 4 SER N N 115.942 0.034 1 8 1911 5 LYS H H 8.459 0.004 1 9 1911 5 LYS C C 177.120 0.018 1 10 1911 5 LYS CA C 57.382 0.069 1 11 1911 5 LYS CB C 32.542 0.083 1 12 1911 5 LYS N N 124.090 0.029 1 13 1912 6 ARG H H 8.185 0.003 1 14 1912 6 ARG C C 177.460 0.032 1 15 1912 6 ARG CA C 57.212 0.139 1 16 1912 6 ARG CB C 30.375 0.001 1 17 1912 6 ARG N N 120.760 0.060 1 18 1913 7 LYS H H 8.270 0.008 1 19 1913 7 LYS C C 177.889 0.083 1 20 1913 7 LYS CA C 57.805 0.117 1 21 1913 7 LYS CB C 32.384 0.015 1 22 1913 7 LYS N N 121.255 0.050 1 23 1914 8 GLN H H 8.320 0.003 1 24 1914 8 GLN C C 178.860 0.006 1 25 1914 8 GLN CA C 58.360 0.025 1 26 1914 8 GLN CB C 28.588 0.161 1 27 1914 8 GLN N N 119.769 0.041 1 28 1915 9 GLU H H 8.878 0.012 1 29 1915 9 GLU C C 177.673 0.029 1 30 1915 9 GLU CA C 60.539 0.056 1 31 1915 9 GLU CB C 29.246 0.000 1 32 1915 9 GLU N N 121.038 0.044 1 33 1916 10 GLU H H 7.989 0.004 1 34 1916 10 GLU C C 177.849 0.029 1 35 1916 10 GLU CA C 60.548 0.048 1 36 1916 10 GLU CB C 29.671 0.026 1 37 1916 10 GLU N N 118.825 0.069 1 38 1917 11 VAL H H 7.797 0.007 1 39 1917 11 VAL C C 178.780 0.000 1 40 1917 11 VAL CA C 65.914 0.042 1 41 1917 11 VAL CB C 32.133 0.018 1 42 1917 11 VAL N N 117.106 0.028 1 43 1918 12 SER H H 7.987 0.005 1 44 1918 12 SER C C 174.926 0.000 1 45 1918 12 SER CA C 62.884 0.087 1 46 1918 12 SER N N 116.156 0.018 1 47 1919 13 ALA H H 8.347 0.002 1 48 1919 13 ALA C C 177.967 0.040 1 49 1919 13 ALA CA C 56.220 0.069 1 50 1919 13 ALA CB C 17.674 0.036 1 51 1919 13 ALA N N 123.004 0.024 1 52 1920 14 VAL H H 7.511 0.003 1 53 1920 14 VAL C C 178.249 0.001 1 54 1920 14 VAL CA C 66.012 0.027 1 55 1920 14 VAL CB C 31.497 0.140 1 56 1920 14 VAL N N 116.609 0.019 1 57 1921 15 ILE H H 7.570 0.004 1 58 1921 15 ILE C C 179.287 0.004 1 59 1921 15 ILE CA C 65.548 0.031 1 60 1921 15 ILE CB C 38.162 0.080 1 61 1921 15 ILE N N 119.471 0.067 1 62 1922 16 ILE H H 7.432 0.004 1 63 1922 16 ILE C C 177.412 0.007 1 64 1922 16 ILE CA C 66.188 0.034 1 65 1922 16 ILE CB C 38.810 0.144 1 66 1922 16 ILE N N 119.829 0.025 1 67 1923 17 GLN H H 9.112 0.005 1 68 1923 17 GLN C C 179.121 0.042 1 69 1923 17 GLN CA C 60.253 0.036 1 70 1923 17 GLN CB C 26.868 0.051 1 71 1923 17 GLN N N 120.627 0.027 1 72 1924 18 ARG H H 9.048 0.003 1 73 1924 18 ARG C C 180.207 0.018 1 74 1924 18 ARG CA C 60.088 0.051 1 75 1924 18 ARG CB C 30.150 0.060 1 76 1924 18 ARG N N 117.169 0.039 1 77 1925 19 ALA H H 7.884 0.004 1 78 1925 19 ALA C C 180.573 0.019 1 79 1925 19 ALA CA C 55.244 0.079 1 80 1925 19 ALA CB C 18.618 0.041 1 81 1925 19 ALA N N 122.343 0.021 1 82 1926 20 TYR H H 9.478 0.002 1 83 1926 20 TYR C C 177.840 0.008 1 84 1926 20 TYR CA C 63.421 0.031 1 85 1926 20 TYR CB C 38.466 0.089 1 86 1926 20 TYR N N 122.617 0.040 1 87 1927 21 ARG H H 8.704 0.004 1 88 1927 21 ARG C C 179.489 0.000 1 89 1927 21 ARG CA C 61.317 0.044 1 90 1927 21 ARG CB C 29.624 0.094 1 91 1927 21 ARG N N 118.493 0.039 1 92 1928 22 ARG H H 7.823 0.003 1 93 1928 22 ARG C C 178.637 0.000 1 94 1928 22 ARG CA C 60.075 0.065 1 95 1928 22 ARG CB C 30.237 0.056 1 96 1928 22 ARG N N 119.230 0.043 1 97 1929 23 HIS H H 7.697 0.007 1 98 1929 23 HIS C C 177.189 0.086 1 99 1929 23 HIS CA C 59.100 0.035 1 100 1929 23 HIS CB C 28.665 0.000 1 101 1929 23 HIS N N 120.722 0.066 1 102 1930 24 LEU H H 8.300 0.005 1 103 1930 24 LEU C C 179.730 0.028 1 104 1930 24 LEU CA C 57.512 0.067 1 105 1930 24 LEU CB C 41.920 0.008 1 106 1930 24 LEU N N 119.747 0.027 1 107 1931 25 LEU H H 7.546 0.004 1 108 1931 25 LEU C C 178.936 0.019 1 109 1931 25 LEU CA C 57.166 0.026 1 110 1931 25 LEU CB C 42.016 0.086 1 111 1931 25 LEU N N 119.069 0.028 1 112 1932 26 LYS H H 7.537 0.004 1 113 1932 26 LYS C C 177.670 0.046 1 114 1932 26 LYS CA C 57.828 0.038 1 115 1932 26 LYS CB C 32.526 0.063 1 116 1932 26 LYS N N 118.135 0.029 1 117 1933 27 ARG H H 7.541 0.004 1 118 1933 27 ARG C C 176.746 0.034 1 119 1933 27 ARG CA C 57.042 0.057 1 120 1933 27 ARG CB C 30.432 0.024 1 121 1933 27 ARG N N 117.543 0.032 1 122 1934 28 THR H H 7.861 0.004 1 123 1934 28 THR C C 174.513 0.031 1 124 1934 28 THR CA C 62.497 0.023 1 125 1934 28 THR CB C 69.873 0.006 1 126 1934 28 THR N N 113.766 0.030 1 127 1935 29 VAL H H 7.953 0.003 1 128 1935 29 VAL C C 175.751 0.001 1 129 1935 29 VAL CA C 62.469 0.020 1 130 1935 29 VAL CB C 32.609 0.042 1 131 1935 29 VAL N N 122.850 0.018 1 132 1936 30 LYS H H 8.309 0.003 1 133 1936 30 LYS C C 175.542 0.023 1 134 1936 30 LYS CA C 56.300 0.044 1 135 1936 30 LYS CB C 32.985 0.021 1 136 1936 30 LYS N N 126.102 0.009 1 137 1937 31 GLN H H 8.023 0.003 1 138 1937 31 GLN C C 180.510 0.000 1 139 1937 31 GLN CA C 57.433 0.039 1 140 1937 31 GLN CB C 30.522 0.000 1 141 1937 31 GLN N N 127.493 0.015 1 stop_ save_