data_27332 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of apo calmodulin bound to the NaV1.4 IQ motif peptide ; _BMRB_accession_number 27332 _BMRB_flat_file_name bmr27332.str _Entry_type original _Submission_date 2017-12-06 _Accession_date 2017-12-06 _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 Isbell Holly M. . 2 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" 169 "13C chemical shifts" 513 "15N chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-19 update BMRB 'update entry citation' 2018-05-08 original author 'original release' stop_ _Original_release_date 2017-12-06 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 'CaM NaV1.4 IQ motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Calmodulin $Calmodulin 'NaV1.4 IQ Motif' $voltage-gated_sodium_channel_NaV1.4_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 . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 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_voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 31 _Mol_residue_sequence ; GPGSKRKHEEVCAIKIQRAY RRHLLQRSMKQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 GLY 4 -1 SER 5 1723 LYS 6 1724 ARG 7 1725 LYS 8 1726 HIS 9 1727 GLU 10 1728 GLU 11 1729 VAL 12 1730 CYS 13 1731 ALA 14 1732 ILE 15 1733 LYS 16 1734 ILE 17 1735 GLN 18 1736 ARG 19 1737 ALA 20 1738 TYR 21 1739 ARG 22 1740 ARG 23 1741 HIS 24 1742 LEU 25 1743 LEU 26 1744 GLN 27 1745 ARG 28 1746 SER 29 1747 MET 30 1748 LYS 31 1749 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 P35499 . . . . . . NCBI 6329 . . . . . . 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 $voltage-gated_sodium_channel_NaV1.4_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 $voltage-gated_sodium_channel_NaV1.4_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 1.1 mM '[U-99% 13C; U-99% 15N]' $voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide 1.1 mM '[U-99% 13C; U-99% 15N]' EDTA .1 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' imidazole 10 mM '[U-99% 2H]' 'sodium azide' .01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 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 Bruker _Model 'Fully Automated Avance II' _Field_strength 500 _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_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _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 HN(CO)CACB' '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 175.578 0.052 1 2 2 2 ASP CA C 54.930 0.000 1 3 2 2 ASP CB C 41.420 0.031 1 4 3 3 GLN H H 8.215 0.000 1 5 3 3 GLN C C 175.681 0.010 1 6 3 3 GLN CA C 55.437 0.073 1 7 3 3 GLN CB C 30.384 0.038 1 8 3 3 GLN N N 118.703 0.010 1 9 4 4 LEU H H 8.297 0.002 1 10 4 4 LEU C C 177.545 0.010 1 11 4 4 LEU CA C 54.430 0.045 1 12 4 4 LEU CB C 43.506 0.020 1 13 4 4 LEU N N 122.045 0.022 1 14 5 5 THR H H 8.747 0.002 1 15 5 5 THR C C 175.381 0.017 1 16 5 5 THR CA C 60.476 0.029 1 17 5 5 THR CB C 71.238 0.030 1 18 5 5 THR N N 112.963 0.015 1 19 6 6 GLU H H 9.026 0.002 1 20 6 6 GLU C C 179.447 0.083 1 21 6 6 GLU CA C 60.177 0.068 1 22 6 6 GLU CB C 29.196 0.078 1 23 6 6 GLU N N 120.402 0.011 1 24 7 7 GLU H H 8.729 0.002 1 25 7 7 GLU C C 179.288 0.021 1 26 7 7 GLU CA C 60.247 0.000 1 27 7 7 GLU CB C 29.111 0.016 1 28 7 7 GLU N N 119.500 0.008 1 29 8 8 GLN H H 7.718 0.001 1 30 8 8 GLN C C 177.593 0.021 1 31 8 8 GLN CA C 58.678 0.012 1 32 8 8 GLN CB C 29.242 0.000 1 33 8 8 GLN N N 120.603 0.008 1 34 9 9 ILE H H 8.227 0.002 1 35 9 9 ILE C C 177.666 0.010 1 36 9 9 ILE CA C 66.778 0.021 1 37 9 9 ILE CB C 38.159 0.027 1 38 9 9 ILE N N 118.703 0.011 1 39 10 10 ALA H H 7.918 0.002 1 40 10 10 ALA C C 180.804 0.010 1 41 10 10 ALA CA C 55.406 0.100 1 42 10 10 ALA CB C 17.985 0.027 1 43 10 10 ALA N N 120.604 0.008 1 44 11 11 GLU H H 7.790 0.002 1 45 11 11 GLU C C 180.280 0.029 1 46 11 11 GLU CA C 59.426 0.027 1 47 11 11 GLU CB C 29.441 0.063 1 48 11 11 GLU N N 120.431 0.000 1 49 12 12 PHE H H 8.792 0.002 1 50 12 12 PHE C C 178.062 0.019 1 51 12 12 PHE CA C 58.412 0.046 1 52 12 12 PHE CB C 36.990 0.015 1 53 12 12 PHE N N 120.447 0.010 1 54 13 13 LYS H H 9.237 0.003 1 55 13 13 LYS C C 179.175 0.010 1 56 13 13 LYS CA C 59.864 0.057 1 57 13 13 LYS CB C 32.053 0.025 1 58 13 13 LYS N N 121.651 0.009 1 59 14 14 GLU H H 8.061 0.002 1 60 14 14 GLU C C 178.868 0.078 1 61 14 14 GLU CA C 59.515 0.018 1 62 14 14 GLU CB C 29.324 0.026 1 63 14 14 GLU N N 120.586 0.014 1 64 15 15 ALA H H 7.655 0.003 1 65 15 15 ALA C C 178.988 0.010 1 66 15 15 ALA CA C 55.168 0.067 1 67 15 15 ALA CB C 19.327 0.014 1 68 15 15 ALA N N 120.899 0.007 1 69 16 16 PHE H H 8.529 0.003 1 70 16 16 PHE C C 177.462 0.010 1 71 16 16 PHE CA C 61.946 0.042 1 72 16 16 PHE CB C 40.949 0.051 1 73 16 16 PHE N N 117.890 0.005 1 74 17 17 SER H H 8.415 0.001 1 75 17 17 SER C C 175.877 0.000 1 76 17 17 SER CA C 61.762 0.016 1 77 17 17 SER CB C 63.155 0.031 1 78 17 17 SER N N 111.152 0.008 1 79 18 18 LEU H H 7.344 0.002 1 80 18 18 LEU C C 177.869 0.010 1 81 18 18 LEU CA C 57.106 0.012 1 82 18 18 LEU CB C 41.716 0.026 1 83 18 18 LEU N N 121.221 0.013 1 84 19 19 PHE H H 7.378 0.002 1 85 19 19 PHE C C 174.482 0.052 1 86 19 19 PHE CA C 58.488 0.022 1 87 19 19 PHE CB C 39.914 0.074 1 88 19 19 PHE N N 114.863 0.006 1 89 20 20 ASP H H 7.302 0.004 1 90 20 20 ASP C C 176.959 0.010 1 91 20 20 ASP CA C 52.731 0.045 1 92 20 20 ASP CB C 40.030 0.016 1 93 20 20 ASP N N 122.475 0.005 1 94 21 21 LYS H H 8.069 0.002 1 95 21 21 LYS C C 177.889 0.010 1 96 21 21 LYS CA C 58.500 0.051 1 97 21 21 LYS CB C 32.591 0.008 1 98 21 21 LYS N N 123.895 0.007 1 99 22 22 ASP H H 8.735 0.002 1 100 22 22 ASP C C 176.821 0.010 1 101 22 22 ASP CA C 54.600 0.039 1 102 22 22 ASP CB C 41.352 0.048 1 103 22 22 ASP N N 117.304 0.007 1 104 23 23 GLY H H 8.005 0.003 1 105 23 23 GLY C C 175.154 0.000 1 106 23 23 GLY CA C 46.863 0.003 1 107 23 23 GLY N N 110.453 0.007 1 108 24 24 ASP H H 8.759 0.002 1 109 24 24 ASP C C 177.338 0.010 1 110 24 24 ASP CA C 53.944 0.039 1 111 24 24 ASP CB C 41.496 0.018 1 112 24 24 ASP N N 120.852 0.005 1 113 25 25 GLY H H 10.171 0.004 1 114 25 25 GLY C C 174.162 0.021 1 115 25 25 GLY CA C 46.003 0.013 1 116 25 25 GLY N N 112.146 0.008 1 117 26 26 THR H H 7.592 0.004 1 118 26 26 THR C C 172.870 0.031 1 119 26 26 THR CA C 59.955 0.014 1 120 26 26 THR CB C 73.199 0.017 1 121 26 26 THR N N 110.040 0.010 1 122 27 27 ILE H H 8.271 0.005 1 123 27 27 ILE C C 175.950 0.031 1 124 27 27 ILE CA C 59.496 0.073 1 125 27 27 ILE CB C 41.548 0.012 1 126 27 27 ILE N N 110.653 0.010 1 127 28 28 THR H H 8.340 0.000 1 128 28 28 THR C C 176.808 0.017 1 129 28 28 THR CA C 60.798 0.015 1 130 28 28 THR CB C 70.661 0.015 1 131 28 28 THR N N 111.007 0.003 1 132 29 29 THR H H 8.310 0.003 1 133 29 29 THR C C 177.159 0.000 1 134 29 29 THR CA C 65.255 0.033 1 135 29 29 THR CB C 67.520 0.034 1 136 29 29 THR N N 112.770 0.007 1 137 30 30 LYS H H 7.647 0.002 1 138 30 30 LYS C C 178.041 0.026 1 139 30 30 LYS CA C 58.423 0.040 1 140 30 30 LYS CB C 32.325 0.039 1 141 30 30 LYS N N 119.104 0.014 1 142 31 31 GLU H H 7.516 0.002 1 143 31 31 GLU C C 176.270 0.021 1 144 31 31 GLU CA C 56.210 0.047 1 145 31 31 GLU CB C 29.826 0.050 1 146 31 31 GLU N N 117.721 0.008 1 147 32 32 LEU H H 7.373 0.004 1 148 32 32 LEU C C 178.179 0.019 1 149 32 32 LEU CA C 58.746 0.036 1 150 32 32 LEU CB C 41.965 0.025 1 151 32 32 LEU N N 121.003 0.010 1 152 33 33 GLY H H 8.797 0.002 1 153 33 33 GLY C C 174.947 0.029 1 154 33 33 GLY CA C 48.214 0.027 1 155 33 33 GLY N N 105.692 0.007 1 156 34 34 THR H H 7.509 0.002 1 157 34 34 THR C C 177.262 0.000 1 158 34 34 THR CA C 66.096 0.010 1 159 34 34 THR CB C 68.170 0.093 1 160 34 34 THR N N 118.647 0.007 1 161 35 35 VAL H H 7.967 0.002 1 162 35 35 VAL C C 179.299 0.010 1 163 35 35 VAL CA C 66.530 0.026 1 164 35 35 VAL CB C 31.404 0.037 1 165 35 35 VAL N N 122.968 0.006 1 166 36 36 MET H H 8.462 0.002 1 167 36 36 MET C C 179.006 0.010 1 168 36 36 MET CA C 60.245 0.024 1 169 36 36 MET CB C 31.768 0.019 1 170 36 36 MET N N 118.760 0.012 1 171 37 37 ARG H H 8.518 0.003 1 172 37 37 ARG C C 181.404 0.035 1 173 37 37 ARG CA C 59.407 0.044 1 174 37 37 ARG CB C 30.278 0.025 1 175 37 37 ARG N N 119.703 0.010 1 176 38 38 SER H H 8.118 0.001 1 177 38 38 SER C C 174.989 0.000 1 178 38 38 SER CA C 61.646 0.000 1 179 38 38 SER CB C 62.789 0.003 1 180 38 38 SER N N 119.269 0.009 1 181 39 39 LEU H H 7.334 0.001 1 182 39 39 LEU C C 177.242 0.000 1 183 39 39 LEU CA C 54.584 0.024 1 184 39 39 LEU CB C 42.884 0.052 1 185 39 39 LEU N N 121.223 0.014 1 186 40 40 GLY H H 7.932 0.002 1 187 40 40 GLY C C 174.280 0.015 1 188 40 40 GLY CA C 45.842 0.048 1 189 40 40 GLY N N 107.384 0.016 1 190 41 41 GLN H H 7.775 0.000 1 191 41 41 GLN C C 173.989 0.035 1 192 41 41 GLN CA C 54.157 0.013 1 193 41 41 GLN CB C 30.079 0.039 1 194 41 41 GLN N N 118.000 0.008 1 195 42 42 ASN H H 8.673 0.002 1 196 42 42 ASN C C 171.970 0.000 1 197 42 42 ASN CA C 51.196 0.000 1 198 42 42 ASN CB C 39.345 0.000 1 199 42 42 ASN N N 116.783 0.007 1 200 43 43 PRO C C 177.614 0.000 1 201 43 43 PRO CA C 62.414 0.037 1 202 43 43 PRO CB C 32.000 0.037 1 203 44 44 THR H H 8.743 0.001 1 204 44 44 THR C C 175.057 0.026 1 205 44 44 THR CA C 60.772 0.039 1 206 44 44 THR CB C 71.035 0.051 1 207 44 44 THR N N 113.430 0.015 1 208 45 45 GLU H H 8.862 0.002 1 209 45 45 GLU C C 179.188 0.027 1 210 45 45 GLU CA C 60.094 0.078 1 211 45 45 GLU CB C 29.079 0.021 1 212 45 45 GLU N N 120.713 0.009 1 213 46 46 ALA H H 8.329 0.002 1 214 46 46 ALA C C 180.122 0.096 1 215 46 46 ALA CA C 55.150 0.077 1 216 46 46 ALA CB C 18.306 0.051 1 217 46 46 ALA N N 121.260 0.003 1 218 47 47 GLU H H 7.728 0.003 1 219 47 47 GLU C C 179.939 0.031 1 220 47 47 GLU CA C 58.958 0.013 1 221 47 47 GLU CB C 30.050 0.015 1 222 47 47 GLU N N 119.081 0.001 1 223 48 48 LEU H H 8.337 0.002 1 224 48 48 LEU C C 178.365 0.049 1 225 48 48 LEU CA C 58.187 0.036 1 226 48 48 LEU CB C 41.942 0.025 1 227 48 48 LEU N N 120.326 0.008 1 228 49 49 GLN H H 8.079 0.002 1 229 49 49 GLN C C 178.275 0.021 1 230 49 49 GLN CA C 58.791 0.003 1 231 49 49 GLN CB C 28.113 0.040 1 232 49 49 GLN N N 117.792 0.005 1 233 50 50 ASP H H 7.849 0.002 1 234 50 50 ASP C C 178.985 0.019 1 235 50 50 ASP CA C 57.426 0.083 1 236 50 50 ASP CB C 40.553 0.029 1 237 50 50 ASP N N 119.103 0.007 1 238 51 51 MET H H 7.948 0.002 1 239 51 51 MET C C 178.489 0.010 1 240 51 51 MET CA C 59.763 0.045 1 241 51 51 MET CB C 34.142 0.145 1 242 51 51 MET N N 119.261 0.002 1 243 52 52 ILE H H 8.323 0.002 1 244 52 52 ILE C C 177.586 0.019 1 245 52 52 ILE CA C 65.427 0.031 1 246 52 52 ILE CB C 38.206 0.026 1 247 52 52 ILE N N 119.195 0.000 1 248 53 53 ASN H H 8.261 0.001 1 249 53 53 ASN C C 176.842 0.010 1 250 53 53 ASN CA C 55.438 0.017 1 251 53 53 ASN CB C 38.253 0.000 1 252 53 53 ASN N N 117.581 0.006 1 253 54 54 GLU H H 7.582 0.001 1 254 54 54 GLU C C 177.793 0.026 1 255 54 54 GLU CA C 58.533 0.016 1 256 54 54 GLU CB C 30.263 0.059 1 257 54 54 GLU N N 117.548 0.007 1 258 55 55 VAL H H 7.621 0.002 1 259 55 55 VAL C C 175.712 0.017 1 260 55 55 VAL CA C 62.328 0.035 1 261 55 55 VAL CB C 32.887 0.035 1 262 55 55 VAL N N 113.092 0.001 1 263 56 56 ASP H H 8.458 0.002 1 264 56 56 ASP C C 176.885 0.011 1 265 56 56 ASP CA C 53.709 0.013 1 266 56 56 ASP CB C 40.787 0.038 1 267 56 56 ASP N N 122.171 0.003 1 268 57 57 ALA H H 8.160 0.001 1 269 57 57 ALA C C 178.978 0.017 1 270 57 57 ALA CA C 54.661 0.039 1 271 57 57 ALA CB C 19.049 0.024 1 272 57 57 ALA N N 125.117 0.002 1 273 58 58 ASP H H 8.442 0.003 1 274 58 58 ASP C C 177.063 0.010 1 275 58 58 ASP CA C 54.600 0.016 1 276 58 58 ASP CB C 41.180 0.019 1 277 58 58 ASP N N 115.150 0.009 1 278 59 59 GLY H H 7.931 0.002 1 279 59 59 GLY C C 175.443 0.021 1 280 59 59 GLY CA C 46.881 0.047 1 281 59 59 GLY N N 109.185 0.004 1 282 60 60 ASN H H 9.230 0.007 1 283 60 60 ASN C C 177.028 0.010 1 284 60 60 ASN CA C 54.283 0.024 1 285 60 60 ASN CB C 39.403 0.027 1 286 60 60 ASN N N 119.896 0.007 1 287 61 61 GLY H H 9.928 0.004 1 288 61 61 GLY C C 174.575 0.000 1 289 61 61 GLY CA C 45.945 0.060 1 290 61 61 GLY N N 110.293 0.008 1 291 62 62 THR H H 7.579 0.002 1 292 62 62 THR C C 172.825 0.039 1 293 62 62 THR CA C 59.843 0.083 1 294 62 62 THR CB C 72.670 0.012 1 295 62 62 THR N N 111.065 0.011 1 296 63 63 ILE H H 8.915 0.005 1 297 63 63 ILE C C 174.472 0.017 1 298 63 63 ILE CA C 60.088 0.016 1 299 63 63 ILE CB C 41.861 0.009 1 300 63 63 ILE N N 119.069 0.008 1 301 64 64 ASP H H 8.503 0.003 1 302 64 64 ASP C C 176.181 0.026 1 303 64 64 ASP CA C 52.029 0.015 1 304 64 64 ASP CB C 42.172 0.029 1 305 64 64 ASP N N 124.524 0.009 1 306 65 65 PHE H H 8.659 0.002 1 307 65 65 PHE C C 173.604 0.000 1 308 65 65 PHE CA C 63.050 0.000 1 309 65 65 PHE CB C 36.564 0.000 1 310 65 65 PHE N N 118.771 0.002 1 311 66 66 PRO C C 179.929 0.000 1 312 66 66 PRO CA C 66.615 0.000 1 313 66 66 PRO CB C 30.731 0.000 1 314 67 67 GLU H H 8.089 0.001 1 315 67 67 GLU C C 179.095 0.026 1 316 67 67 GLU CA C 59.230 0.037 1 317 67 67 GLU CB C 29.322 0.007 1 318 67 67 GLU N N 117.791 0.005 1 319 68 68 PHE H H 8.491 0.001 1 320 68 68 PHE C C 176.801 0.010 1 321 68 68 PHE CA C 61.403 0.014 1 322 68 68 PHE CB C 39.568 0.051 1 323 68 68 PHE N N 122.641 0.011 1 324 69 69 LEU H H 8.475 0.002 1 325 69 69 LEU C C 179.412 0.034 1 326 69 69 LEU CA C 57.882 0.033 1 327 69 69 LEU CB C 41.171 0.029 1 328 69 69 LEU N N 118.761 0.015 1 329 70 70 THR H H 7.737 0.002 1 330 70 70 THR C C 176.642 0.000 1 331 70 70 THR CA C 66.557 0.054 1 332 70 70 THR CB C 68.449 0.026 1 333 70 70 THR N N 115.739 0.007 1 334 71 71 MET H H 7.755 0.003 1 335 71 71 MET C C 178.641 0.010 1 336 71 71 MET CA C 59.053 0.033 1 337 71 71 MET CB C 32.689 0.015 1 338 71 71 MET N N 121.599 0.011 1 339 72 72 MET H H 8.043 0.003 1 340 72 72 MET C C 178.668 0.000 1 341 72 72 MET CA C 55.956 0.076 1 342 72 72 MET CB C 30.910 0.040 1 343 72 72 MET N N 117.792 0.006 1 344 73 73 ALA H H 8.318 0.002 1 345 73 73 ALA C C 179.922 0.042 1 346 73 73 ALA CA C 55.032 0.027 1 347 73 73 ALA CB C 18.058 0.043 1 348 73 73 ALA N N 121.487 0.005 1 349 74 74 ARG H H 7.478 0.001 1 350 74 74 ARG C C 178.275 0.000 1 351 74 74 ARG CA C 58.765 0.018 1 352 74 74 ARG CB C 30.295 0.001 1 353 74 74 ARG N N 116.800 0.004 1 354 75 75 LYS H H 7.719 0.002 1 355 75 75 LYS C C 177.876 0.010 1 356 75 75 LYS CA C 56.675 0.103 1 357 75 75 LYS CB C 31.932 0.025 1 358 75 75 LYS N N 118.304 0.008 1 359 76 76 MET H H 7.918 0.001 1 360 76 76 MET C C 176.611 0.010 1 361 76 76 MET CA C 56.526 0.000 1 362 76 76 MET CB C 33.036 0.067 1 363 76 76 MET N N 117.583 0.002 1 364 77 77 LYS H H 7.683 0.002 1 365 77 77 LYS C C 176.360 0.049 1 366 77 77 LYS CA C 56.750 0.005 1 367 77 77 LYS CB C 33.088 0.062 1 368 77 77 LYS N N 120.318 0.001 1 369 78 78 ASP H H 8.223 0.001 1 370 78 78 ASP C C 176.280 0.010 1 371 78 78 ASP CA C 54.729 0.009 1 372 78 78 ASP CB C 41.128 0.024 1 373 78 78 ASP N N 121.381 0.015 1 374 79 79 THR H H 7.984 0.002 1 375 79 79 THR C C 173.969 0.035 1 376 79 79 THR CA C 61.975 0.000 1 377 79 79 THR CB C 70.235 0.039 1 378 79 79 THR N N 114.277 0.006 1 379 80 80 ASP H H 8.299 0.001 1 380 80 80 ASP C C 175.836 0.017 1 381 80 80 ASP CA C 54.335 0.015 1 382 80 80 ASP CB C 41.929 0.073 1 383 80 80 ASP N N 123.033 0.005 1 384 81 81 SER H H 8.542 0.002 1 385 81 81 SER C C 175.092 0.000 1 386 81 81 SER CA C 58.594 0.038 1 387 81 81 SER CB C 64.715 0.007 1 388 81 81 SER N N 117.316 0.010 1 389 82 82 GLU H H 8.842 0.002 1 390 82 82 GLU C C 178.048 0.000 1 391 82 82 GLU CA C 60.214 0.023 1 392 82 82 GLU CB C 29.635 0.008 1 393 82 82 GLU N N 122.509 0.004 1 394 83 83 GLU H H 8.434 0.002 1 395 83 83 GLU C C 178.572 0.026 1 396 83 83 GLU CA C 59.597 0.032 1 397 83 83 GLU CB C 29.355 0.009 1 398 83 83 GLU N N 118.494 0.001 1 399 84 84 GLU H H 7.872 0.002 1 400 84 84 GLU C C 179.722 0.021 1 401 84 84 GLU CA C 59.353 0.093 1 402 84 84 GLU CB C 30.000 0.048 1 403 84 84 GLU N N 118.873 0.016 1 404 85 85 ILE H H 8.081 0.001 1 405 85 85 ILE C C 177.752 0.019 1 406 85 85 ILE CA C 63.554 0.041 1 407 85 85 ILE CB C 36.400 0.008 1 408 85 85 ILE N N 119.831 0.011 1 409 86 86 ARG H H 8.616 0.002 1 410 86 86 ARG C C 178.406 0.049 1 411 86 86 ARG CA C 61.596 0.004 1 412 86 86 ARG CB C 30.431 0.084 1 413 86 86 ARG N N 121.568 0.006 1 414 87 87 GLU H H 8.291 0.001 1 415 87 87 GLU C C 178.296 0.000 1 416 87 87 GLU CA C 58.953 0.070 1 417 87 87 GLU CB C 29.350 0.003 1 418 87 87 GLU N N 116.406 0.011 1 419 88 88 ALA H H 7.601 0.002 1 420 88 88 ALA C C 178.013 0.010 1 421 88 88 ALA CA C 55.074 0.069 1 422 88 88 ALA CB C 18.145 0.048 1 423 88 88 ALA N N 122.122 0.004 1 424 89 89 PHE H H 7.658 0.002 1 425 89 89 PHE C C 178.668 0.041 1 426 89 89 PHE CA C 62.496 0.065 1 427 89 89 PHE CB C 40.487 0.073 1 428 89 89 PHE N N 113.595 0.002 1 429 90 90 ARG H H 7.881 0.002 1 430 90 90 ARG C C 179.033 0.026 1 431 90 90 ARG CA C 59.416 0.056 1 432 90 90 ARG CB C 30.123 0.047 1 433 90 90 ARG N N 117.141 0.006 1 434 91 91 VAL H H 6.920 0.003 1 435 91 91 VAL C C 176.442 0.010 1 436 91 91 VAL CA C 64.767 0.014 1 437 91 91 VAL CB C 31.407 0.059 1 438 91 91 VAL N N 117.026 0.008 1 439 92 92 PHE H H 7.401 0.003 1 440 92 92 PHE C C 174.255 0.031 1 441 92 92 PHE CA C 58.134 0.038 1 442 92 92 PHE CB C 39.199 0.010 1 443 92 92 PHE N N 117.534 0.002 1 444 93 93 ASP H H 7.477 0.005 1 445 93 93 ASP C C 176.229 0.017 1 446 93 93 ASP CA C 52.460 0.016 1 447 93 93 ASP CB C 40.523 0.036 1 448 93 93 ASP N N 120.458 0.007 1 449 94 94 LYS H H 8.419 0.007 1 450 94 94 LYS C C 178.124 0.010 1 451 94 94 LYS CA C 58.752 0.047 1 452 94 94 LYS CB C 32.546 0.015 1 453 94 94 LYS N N 125.106 0.008 1 454 95 95 ASP H H 8.482 0.001 1 455 95 95 ASP C C 177.035 0.000 1 456 95 95 ASP CA C 55.201 0.040 1 457 95 95 ASP CB C 41.682 0.042 1 458 95 95 ASP N N 117.190 0.005 1 459 96 96 GLY H H 8.335 0.005 1 460 96 96 GLY C C 175.020 0.052 1 461 96 96 GLY CA C 46.784 0.015 1 462 96 96 GLY N N 109.673 0.004 1 463 97 97 ASN H H 8.762 0.008 1 464 97 97 ASN C C 175.867 0.010 1 465 97 97 ASN CA C 53.411 0.032 1 466 97 97 ASN CB C 39.811 0.072 1 467 97 97 ASN N N 117.851 0.010 1 468 98 98 GLY H H 9.636 0.007 1 469 98 98 GLY C C 172.570 0.000 1 470 98 98 GLY CA C 45.430 0.004 1 471 98 98 GLY N N 109.836 0.010 1 472 99 99 TYR H H 8.016 0.003 1 473 99 99 TYR C C 174.792 0.052 1 474 99 99 TYR CA C 56.059 0.029 1 475 99 99 TYR CB C 42.126 0.004 1 476 99 99 TYR N N 117.791 0.006 1 477 100 100 ILE H H 8.759 0.002 1 478 100 100 ILE C C 174.520 0.019 1 479 100 100 ILE CA C 59.673 0.045 1 480 100 100 ILE CB C 43.062 0.071 1 481 100 100 ILE N N 117.115 0.007 1 482 101 101 SER H H 9.132 0.003 1 483 101 101 SER C C 175.485 0.000 1 484 101 101 SER CA C 58.594 0.039 1 485 101 101 SER CB C 64.022 0.029 1 486 101 101 SER N N 123.322 0.004 1 487 102 102 ALA H H 8.994 0.004 1 488 102 102 ALA C C 179.323 0.026 1 489 102 102 ALA CA C 55.602 0.026 1 490 102 102 ALA CB C 18.167 0.112 1 491 102 102 ALA N N 127.459 0.008 1 492 103 103 ALA H H 8.420 0.002 1 493 103 103 ALA C C 180.904 0.018 1 494 103 103 ALA CA C 55.298 0.025 1 495 103 103 ALA CB C 18.392 0.000 1 496 103 103 ALA N N 119.402 0.008 1 497 104 104 GLU H H 7.917 0.001 1 498 104 104 GLU C C 178.535 0.009 1 499 104 104 GLU CA C 58.977 0.018 1 500 104 104 GLU CB C 29.492 0.035 1 501 104 104 GLU N N 121.062 0.006 1 502 105 105 LEU H H 8.582 0.002 1 503 105 105 LEU C C 177.914 0.010 1 504 105 105 LEU CA C 57.853 0.046 1 505 105 105 LEU CB C 41.564 0.031 1 506 105 105 LEU N N 120.323 0.007 1 507 106 106 ARG H H 8.398 0.003 1 508 106 106 ARG C C 178.503 0.017 1 509 106 106 ARG CA C 59.830 0.042 1 510 106 106 ARG CB C 30.125 0.080 1 511 106 106 ARG N N 117.367 0.011 1 512 107 107 HIS H H 7.808 0.002 1 513 107 107 HIS C C 177.821 0.000 1 514 107 107 HIS CA C 60.585 0.071 1 515 107 107 HIS CB C 30.036 0.016 1 516 107 107 HIS N N 118.876 0.008 1 517 108 108 VAL H H 8.597 0.003 1 518 108 108 VAL C C 177.821 0.000 1 519 108 108 VAL CA C 66.578 0.008 1 520 108 108 VAL CB C 31.963 0.020 1 521 108 108 VAL N N 118.023 0.011 1 522 109 109 MET H H 8.120 0.002 1 523 109 109 MET C C 178.296 0.000 1 524 109 109 MET CA C 56.385 0.097 1 525 109 109 MET CB C 36.729 0.094 1 526 109 109 MET N N 112.107 0.010 1 527 110 110 THR H H 7.487 0.002 1 528 110 110 THR C C 174.627 0.031 1 529 110 110 THR CA C 61.930 0.033 1 530 110 110 THR CB C 70.800 0.020 1 531 110 110 THR N N 104.133 0.001 1 532 111 111 ASN H H 7.381 0.002 1 533 111 111 ASN C C 173.452 0.049 1 534 111 111 ASN CA C 54.794 0.000 1 535 111 111 ASN CB C 41.256 0.003 1 536 111 111 ASN N N 116.779 0.008 1 537 112 112 LEU H H 7.596 0.005 1 538 112 112 LEU C C 176.759 0.010 1 539 112 112 LEU CA C 53.820 0.044 1 540 112 112 LEU CB C 46.019 0.037 1 541 112 112 LEU N N 119.966 0.008 1 542 113 113 GLY H H 9.099 0.001 1 543 113 113 GLY C C 175.877 0.017 1 544 113 113 GLY CA C 47.261 0.045 1 545 113 113 GLY N N 106.316 0.012 1 546 114 114 GLU H H 9.253 0.002 1 547 114 114 GLU C C 175.374 0.010 1 548 114 114 GLU CA C 54.886 0.026 1 549 114 114 GLU CB C 26.624 0.016 1 550 114 114 GLU N N 130.066 0.007 1 551 115 115 LYS H H 6.826 0.002 1 552 115 115 LYS C C 177.821 0.000 1 553 115 115 LYS CA C 57.761 0.009 1 554 115 115 LYS CB C 33.686 0.026 1 555 115 115 LYS N N 115.693 0.004 1 556 116 116 LEU H H 8.450 0.001 1 557 116 116 LEU C C 177.501 0.010 1 558 116 116 LEU CA C 54.460 0.041 1 559 116 116 LEU CB C 41.905 0.015 1 560 116 116 LEU N N 122.384 0.000 1 561 117 117 THR H H 9.402 0.003 1 562 117 117 THR C C 175.209 0.026 1 563 117 117 THR CA C 60.913 0.051 1 564 117 117 THR CB C 71.248 0.033 1 565 117 117 THR N N 112.500 0.035 1 566 118 118 ASP H H 8.737 0.002 1 567 118 118 ASP C C 177.655 0.021 1 568 118 118 ASP CA C 57.863 0.010 1 569 118 118 ASP CB C 40.264 0.046 1 570 118 118 ASP N N 120.446 0.003 1 571 119 119 GLU H H 8.365 0.003 1 572 119 119 GLU C C 180.191 0.026 1 573 119 119 GLU CA C 59.908 0.026 1 574 119 119 GLU CB C 29.594 0.002 1 575 119 119 GLU N N 117.180 0.007 1 576 120 120 GLU H H 7.836 0.003 1 577 120 120 GLU C C 178.709 0.029 1 578 120 120 GLU CA C 59.575 0.064 1 579 120 120 GLU CB C 32.329 0.020 1 580 120 120 GLU N N 119.781 0.000 1 581 121 121 VAL H H 8.771 0.003 1 582 121 121 VAL C C 176.415 0.000 1 583 121 121 VAL CA C 64.618 0.017 1 584 121 121 VAL CB C 31.320 0.031 1 585 121 121 VAL N N 118.496 0.008 1 586 122 122 ASP H H 8.291 0.002 1 587 122 122 ASP C C 179.826 0.045 1 588 122 122 ASP CA C 57.608 0.039 1 589 122 122 ASP CB C 39.962 0.033 1 590 122 122 ASP N N 123.440 0.005 1 591 123 123 GLU H H 7.453 0.002 1 592 123 123 GLU C C 177.572 0.000 1 593 123 123 GLU CA C 59.018 0.022 1 594 123 123 GLU CB C 28.796 0.042 1 595 123 123 GLU N N 121.015 0.006 1 596 124 124 MET H H 8.116 0.003 1 597 124 124 MET C C 177.869 0.039 1 598 124 124 MET CA C 60.392 0.012 1 599 124 124 MET CB C 33.602 0.054 1 600 124 124 MET N N 121.741 0.008 1 601 125 125 ILE H H 8.294 0.004 1 602 125 125 ILE C C 177.965 0.000 1 603 125 125 ILE CA C 63.044 0.064 1 604 125 125 ILE CB C 35.766 0.017 1 605 125 125 ILE N N 116.151 0.010 1 606 126 126 ARG H H 7.823 0.005 1 607 126 126 ARG C C 179.129 0.026 1 608 126 126 ARG CA C 59.677 0.003 1 609 126 126 ARG CB C 30.250 0.028 1 610 126 126 ARG N N 120.212 0.004 1 611 127 127 GLU H H 8.221 0.001 1 612 127 127 GLU C C 177.063 0.083 1 613 127 127 GLU CA C 59.077 0.014 1 614 127 127 GLU CB C 31.220 0.005 1 615 127 127 GLU N N 116.535 0.028 1 616 128 128 ALA H H 8.054 0.008 1 617 128 128 ALA C C 177.242 0.000 1 618 128 128 ALA CA C 53.345 0.000 1 619 128 128 ALA CB C 19.332 0.023 1 620 128 128 ALA N N 119.504 0.000 1 621 129 129 ASP H H 8.302 0.003 1 622 129 129 ASP C C 176.436 0.000 1 623 129 129 ASP CA C 53.031 0.038 1 624 129 129 ASP CB C 39.488 0.047 1 625 129 129 ASP N N 118.771 0.001 1 626 130 130 ILE H H 7.876 0.002 1 627 130 130 ILE CA C 62.813 0.000 1 628 130 130 ILE N N 121.711 0.009 1 629 131 131 ASP C C 177.622 0.000 1 630 132 132 GLY H H 8.128 0.005 1 631 132 132 GLY C C 174.740 0.000 1 632 132 132 GLY CA C 46.808 0.030 1 633 132 132 GLY N N 108.318 0.005 1 634 133 133 ASP H H 8.388 0.003 1 635 133 133 ASP C C 177.324 0.000 1 636 133 133 ASP CA C 53.612 0.000 1 637 133 133 ASP CB C 41.515 0.000 1 638 133 133 ASP N N 119.502 0.006 1 639 134 134 GLY C C 174.172 0.010 1 640 134 134 GLY CA C 46.089 0.031 1 641 135 135 GLN H H 8.243 0.006 1 642 135 135 GLN CA C 54.774 0.000 1 643 135 135 GLN CB C 30.476 0.000 1 644 135 135 GLN N N 120.358 0.009 1 645 136 136 VAL C C 175.082 0.031 1 646 136 136 VAL CA C 61.768 0.037 1 647 136 136 VAL CB C 33.303 0.091 1 648 137 137 ASN H H 9.110 0.002 1 649 137 137 ASN C C 175.950 0.031 1 650 137 137 ASN CA C 51.928 0.017 1 651 137 137 ASN CB C 37.147 0.069 1 652 137 137 ASN N N 127.189 0.010 1 653 138 138 TYR H H 7.313 0.006 1 654 138 138 TYR C C 176.192 0.000 1 655 138 138 TYR CA C 59.173 0.000 1 656 138 138 TYR CB C 39.973 0.000 1 657 138 138 TYR N N 122.704 0.005 1 658 139 139 GLU H H 8.106 0.001 1 659 139 139 GLU C C 179.257 0.093 1 660 139 139 GLU CA C 60.246 0.015 1 661 139 139 GLU CB C 28.165 0.016 1 662 139 139 GLU N N 125.787 0.014 1 663 140 140 GLU H H 7.342 0.010 1 664 140 140 GLU CA C 58.753 0.000 1 665 140 140 GLU CB C 29.353 0.000 1 666 140 140 GLU N N 118.308 0.012 1 667 141 141 PHE C C 177.448 0.000 1 668 141 141 PHE CA C 60.380 0.000 1 669 141 141 PHE CB C 39.582 0.016 1 670 142 142 VAL H H 8.520 0.004 1 671 142 142 VAL C C 178.461 0.041 1 672 142 142 VAL CA C 67.323 0.005 1 673 142 142 VAL CB C 31.438 0.064 1 674 142 142 VAL N N 118.529 0.026 1 675 143 143 GLN H H 7.500 0.005 1 676 143 143 GLN C C 177.752 0.026 1 677 143 143 GLN CA C 59.018 0.018 1 678 143 143 GLN CB C 28.206 0.027 1 679 143 143 GLN N N 118.866 0.010 1 680 144 144 MET H H 7.584 0.002 1 681 144 144 MET C C 178.579 0.010 1 682 144 144 MET CA C 58.646 0.014 1 683 144 144 MET CB C 31.866 0.000 1 684 144 144 MET N N 118.445 0.016 1 685 145 145 MET H H 7.979 0.004 1 686 145 145 MET C C 176.260 0.010 1 687 145 145 MET CA C 58.193 0.036 1 688 145 145 MET CB C 33.767 0.063 1 689 145 145 MET N N 114.895 0.006 1 690 146 146 THR H H 7.473 0.003 1 691 146 146 THR C C 174.234 0.031 1 692 146 146 THR CA C 61.953 0.052 1 693 146 146 THR CB C 70.059 0.038 1 694 146 146 THR N N 108.432 0.008 1 695 147 147 ALA H H 7.421 0.004 1 696 147 147 ALA C C 176.952 0.000 1 697 147 147 ALA CA C 53.259 0.055 1 698 147 147 ALA CB C 19.246 0.034 1 699 147 147 ALA N N 126.694 0.006 1 700 148 148 LYS H H 8.081 0.001 1 701 148 148 LYS C C 181.603 0.000 1 702 148 148 LYS CA C 57.740 0.000 1 703 148 148 LYS CB C 33.769 0.000 1 704 148 148 LYS N N 126.418 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 HN(CO)CACB' '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 'NaV1.4 IQ Motif' _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 -3 2 PRO C C 177.655 0.041 1 2 -3 2 PRO CA C 63.602 0.000 1 3 -3 2 PRO CB C 32.311 0.000 1 4 -2 3 GLY H H 8.688 0.007 1 5 -2 3 GLY C C 174.503 0.031 1 6 -2 3 GLY CA C 45.507 0.037 1 7 -2 3 GLY N N 109.712 0.011 1 8 -1 4 SER H H 8.197 0.002 1 9 -1 4 SER C C 175.278 0.000 1 10 -1 4 SER CA C 59.229 0.038 1 11 -1 4 SER CB C 63.679 0.013 1 12 -1 4 SER N N 116.039 0.006 1 13 1723 5 LYS H H 8.448 0.002 1 14 1723 5 LYS C C 177.338 0.052 1 15 1723 5 LYS CA C 57.696 0.042 1 16 1723 5 LYS CB C 32.738 0.026 1 17 1723 5 LYS N N 124.194 0.007 1 18 1724 6 ARG H H 8.242 0.002 1 19 1724 6 ARG C C 177.469 0.000 1 20 1724 6 ARG CA C 57.241 0.022 1 21 1724 6 ARG CB C 30.454 0.027 1 22 1724 6 ARG N N 121.119 0.007 1 23 1725 7 LYS H H 8.398 0.001 1 24 1725 7 LYS C C 178.182 0.031 1 25 1725 7 LYS CA C 57.735 0.042 1 26 1725 7 LYS CB C 32.488 0.051 1 27 1725 7 LYS N N 121.261 0.099 1 28 1726 8 HIS H H 8.512 0.002 1 29 1726 8 HIS C C 177.559 0.026 1 30 1726 8 HIS CA C 59.132 0.014 1 31 1726 8 HIS CB C 30.255 0.051 1 32 1726 8 HIS N N 120.884 0.006 1 33 1727 9 GLU H H 8.967 0.003 1 34 1727 9 GLU C C 178.203 0.031 1 35 1727 9 GLU CA C 60.800 0.056 1 36 1727 9 GLU CB C 29.208 0.005 1 37 1727 9 GLU N N 118.789 0.009 1 38 1728 10 GLU H H 7.893 0.004 1 39 1728 10 GLU C C 177.448 0.000 1 40 1728 10 GLU CA C 60.653 0.000 1 41 1728 10 GLU CB C 29.739 0.013 1 42 1728 10 GLU N N 118.458 0.006 1 43 1729 11 VAL H H 7.687 0.002 1 44 1729 11 VAL C C 179.154 0.031 1 45 1729 11 VAL CA C 66.614 0.029 1 46 1729 11 VAL CB C 32.124 0.031 1 47 1729 11 VAL N N 117.990 0.002 1 48 1730 12 CYS H H 7.948 0.001 1 49 1730 12 CYS C C 175.988 0.035 1 50 1730 12 CYS CA C 64.838 0.055 1 51 1730 12 CYS CB C 26.975 0.046 1 52 1730 12 CYS N N 118.022 0.000 1 53 1731 13 ALA H H 8.407 0.002 1 54 1731 13 ALA C C 178.302 0.043 1 55 1731 13 ALA CA C 56.344 0.095 1 56 1731 13 ALA CB C 17.707 0.042 1 57 1731 13 ALA N N 121.391 0.000 1 58 1732 14 ILE H H 7.981 0.001 1 59 1732 14 ILE C C 178.317 0.000 1 60 1732 14 ILE CA C 65.045 0.019 1 61 1732 14 ILE CB C 38.200 0.029 1 62 1732 14 ILE N N 117.512 0.003 1 63 1733 15 LYS H H 7.687 0.001 1 64 1733 15 LYS C C 180.105 0.031 1 65 1733 15 LYS CA C 60.413 0.070 1 66 1733 15 LYS CB C 32.496 0.032 1 67 1733 15 LYS N N 118.208 0.012 1 68 1734 16 ILE H H 7.390 0.003 1 69 1734 16 ILE C C 177.318 0.042 1 70 1734 16 ILE CA C 66.096 0.026 1 71 1734 16 ILE CB C 39.024 0.040 1 72 1734 16 ILE N N 118.948 0.008 1 73 1735 17 GLN H H 9.026 0.004 1 74 1735 17 GLN C C 179.137 0.026 1 75 1735 17 GLN CA C 60.267 0.077 1 76 1735 17 GLN CB C 26.924 0.042 1 77 1735 17 GLN N N 121.078 0.000 1 78 1736 18 ARG H H 9.068 0.002 1 79 1736 18 ARG C C 180.280 0.021 1 80 1736 18 ARG CA C 60.067 0.031 1 81 1736 18 ARG CB C 30.339 0.021 1 82 1736 18 ARG N N 117.064 0.010 1 83 1737 19 ALA H H 7.815 0.001 1 84 1737 19 ALA C C 180.653 0.034 1 85 1737 19 ALA CA C 55.302 0.031 1 86 1737 19 ALA CB C 18.526 0.017 1 87 1737 19 ALA N N 122.485 0.007 1 88 1738 20 TYR H H 9.507 0.002 1 89 1738 20 TYR C C 177.848 0.019 1 90 1738 20 TYR CA C 63.737 0.006 1 91 1738 20 TYR CB C 38.451 0.017 1 92 1738 20 TYR N N 122.834 0.004 1 93 1739 21 ARG H H 8.697 0.003 1 94 1739 21 ARG C C 179.609 0.010 1 95 1739 21 ARG CA C 61.396 0.083 1 96 1739 21 ARG CB C 29.755 0.000 1 97 1739 21 ARG N N 118.703 0.010 1 98 1740 22 ARG H H 7.874 0.003 1 99 1740 22 ARG C C 178.379 0.017 1 100 1740 22 ARG CA C 60.066 0.014 1 101 1740 22 ARG CB C 29.946 0.014 1 102 1740 22 ARG N N 119.960 0.021 1 103 1741 23 HIS H H 7.772 0.003 1 104 1741 23 HIS C C 176.746 0.029 1 105 1741 23 HIS CA C 58.831 0.017 1 106 1741 23 HIS CB C 27.814 0.070 1 107 1741 23 HIS N N 120.431 0.000 1 108 1742 24 LEU H H 8.309 0.002 1 109 1742 24 LEU C C 179.929 0.021 1 110 1742 24 LEU CA C 57.618 0.056 1 111 1742 24 LEU CB C 41.728 0.069 1 112 1742 24 LEU N N 119.508 0.010 1 113 1743 25 LEU H H 7.668 0.002 1 114 1743 25 LEU C C 179.550 0.026 1 115 1743 25 LEU CA C 57.498 0.000 1 116 1743 25 LEU CB C 41.890 0.039 1 117 1743 25 LEU N N 120.120 0.006 1 118 1744 26 GLN H H 7.971 0.002 1 119 1744 26 GLN C C 178.337 0.017 1 120 1744 26 GLN CA C 58.119 0.051 1 121 1744 26 GLN CB C 28.466 0.033 1 122 1744 26 GLN N N 118.460 0.004 1 123 1745 27 ARG H H 7.879 0.002 1 124 1745 27 ARG C C 177.517 0.010 1 125 1745 27 ARG CA C 58.053 0.000 1 126 1745 27 ARG CB C 30.174 0.038 1 127 1745 27 ARG N N 118.460 0.003 1 128 1746 28 SER H H 7.804 0.002 1 129 1746 28 SER C C 174.751 0.031 1 130 1746 28 SER CA C 59.568 0.086 1 131 1746 28 SER CB C 63.756 0.031 1 132 1746 28 SER N N 114.528 0.008 1 133 1747 29 MET H H 7.784 0.002 1 134 1747 29 MET C C 176.063 0.000 1 135 1747 29 MET CA C 55.971 0.012 1 136 1747 29 MET CB C 32.957 0.025 1 137 1747 29 MET N N 120.852 0.006 1 138 1748 30 LYS H H 7.933 0.002 1 139 1748 30 LYS C C 175.533 0.010 1 140 1748 30 LYS CA C 56.393 0.031 1 141 1748 30 LYS CB C 32.936 0.031 1 142 1748 30 LYS N N 121.902 0.008 1 143 1749 31 GLN H H 7.958 0.003 1 144 1749 31 GLN C C 180.673 0.000 1 145 1749 31 GLN CA C 57.479 0.000 1 146 1749 31 GLN CB C 30.485 0.000 1 147 1749 31 GLN N N 126.859 0.001 1 stop_ save_