data_27740 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27740 _Entry.Title ; Backbone chemical shift assignments of the calcium-saturated human calmodulin C-domain bound to the human NaV1.2 IQ motif peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-21 _Entry.Accession_date 2018-12-21 _Entry.Last_release_date 2018-12-21 _Entry.Original_release_date 2018-12-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ryan Mahling . . . . 27740 2 Madeline Shea . A. . . 27740 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27740 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 291 27740 '15N chemical shifts' 97 27740 '1H chemical shifts' 97 27740 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-03-14 2018-12-21 update BMRB 'update entry citation' 27740 1 . . 2021-07-21 2018-12-21 original author 'original release' 27740 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27745 'calcium-saturated human calmodulin bound to the human NaV1.2 IQ motif peptide' 27740 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27740 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33770503 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Na V 1.2 EFL domain allosterically enhances Ca 2+ binding to sites I and II of WT and pathogenic calmodulin mutants bound to the channel CTD ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 29 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1339 _Citation.Page_last 1356 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ryan Mahling R. . . . 27740 1 2 Liam Hovey L. . . . 27740 1 3 Holly Isbell H. M. . . 27740 1 4 Dagan Marx D. C. . . 27740 1 5 Mark Miller M. S. . . 27740 1 6 Adina Kilpatrick A. M. . . 27740 1 7 Lisa Weaver L. D. . . 27740 1 8 Jesse Yoder J. B. . . 27740 1 9 Elaine Kim E. H. . . 27740 1 10 Corinne Andresen . . . . 27740 1 11 Shuxiang Li S. . . . 27740 1 12 Madeline Shea M. A. . . 27740 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27740 _Assembly.ID 1 _Assembly.Name 'CaMC NaV1.2 IQ motif' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Calmodulin C-domain' 1 $Calmodulin_C-domain A . yes native no no . . . 27740 1 2 Nav 2 $voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide B . yes native no no . . . 27740 1 3 'Calcium, 1' 3 $entity_CA C . no native no no . . . 27740 1 4 'Calcium, 2' 3 $entity_CA D . no native no no . . . 27740 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CFC . . 'solution NMR' . 'Apo calmodulin' 'Apo calmodulin' 27740 1 yes PDB 2KXW . . 'solution NMR' . 'Structure of the C-domain Fragment of apo Calmodulin Bound to the IQ motif of Nav1.2' 'Structure of the C-domain Fragment of apo Calmodulin Bound to the IQ motif of Nav1.2' 27740 1 yes PDB 2L53 . . 'solution NMR' . 'Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5' 'Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5' 27740 1 yes PDB 2M5E . . 'solution NMR' . 'NMR, Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2' 'NMR, Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2' 27740 1 yes PDB 6BUT . . 'solution NMR' . 'Solution NMR Structure of apo-calmodulin bound to the IQ motif NaV1.2' . 27740 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin_C-domain _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin_C-domain _Entity.Entry_ID 27740 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin_C-domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEEFVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 76-148 of calmodulin' _Entity.Polymer_author_seq_details 'Initial methionine is residue 76 of calmodulin' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P62158 . Calmodulin . . . . . . . . . . . . . . 27740 1 2 yes NCBI AAD45181.1 . Calmodulin . . . . . . . . . . . . . . 27740 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 76 MET . 27740 1 2 77 LYS . 27740 1 3 78 ASP . 27740 1 4 79 THR . 27740 1 5 80 ASP . 27740 1 6 81 SER . 27740 1 7 82 GLU . 27740 1 8 83 GLU . 27740 1 9 84 GLU . 27740 1 10 85 ILE . 27740 1 11 86 ARG . 27740 1 12 87 GLU . 27740 1 13 88 ALA . 27740 1 14 89 PHE . 27740 1 15 90 ARG . 27740 1 16 91 VAL . 27740 1 17 92 PHE . 27740 1 18 93 ASP . 27740 1 19 94 LYS . 27740 1 20 95 ASP . 27740 1 21 96 GLY . 27740 1 22 97 ASN . 27740 1 23 98 GLY . 27740 1 24 99 TYR . 27740 1 25 100 ILE . 27740 1 26 101 SER . 27740 1 27 102 ALA . 27740 1 28 103 ALA . 27740 1 29 104 GLU . 27740 1 30 105 LEU . 27740 1 31 106 ARG . 27740 1 32 107 HIS . 27740 1 33 108 VAL . 27740 1 34 109 MET . 27740 1 35 110 THR . 27740 1 36 111 ASN . 27740 1 37 112 LEU . 27740 1 38 113 GLY . 27740 1 39 114 GLU . 27740 1 40 115 LYS . 27740 1 41 116 LEU . 27740 1 42 117 THR . 27740 1 43 118 ASP . 27740 1 44 119 GLU . 27740 1 45 120 GLU . 27740 1 46 121 VAL . 27740 1 47 122 ASP . 27740 1 48 123 GLU . 27740 1 49 124 MET . 27740 1 50 125 ILE . 27740 1 51 126 ARG . 27740 1 52 127 GLU . 27740 1 53 128 ALA . 27740 1 54 129 ASP . 27740 1 55 130 ILE . 27740 1 56 131 ASP . 27740 1 57 132 GLY . 27740 1 58 133 ASP . 27740 1 59 134 GLY . 27740 1 60 135 GLN . 27740 1 61 136 VAL . 27740 1 62 137 ASN . 27740 1 63 138 TYR . 27740 1 64 139 GLU . 27740 1 65 140 GLU . 27740 1 66 141 PHE . 27740 1 67 142 VAL . 27740 1 68 143 GLN . 27740 1 69 144 MET . 27740 1 70 145 MET . 27740 1 71 146 THR . 27740 1 72 147 ALA . 27740 1 73 148 LYS . 27740 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27740 1 . LYS 2 2 27740 1 . ASP 3 3 27740 1 . THR 4 4 27740 1 . ASP 5 5 27740 1 . SER 6 6 27740 1 . GLU 7 7 27740 1 . GLU 8 8 27740 1 . GLU 9 9 27740 1 . ILE 10 10 27740 1 . ARG 11 11 27740 1 . GLU 12 12 27740 1 . ALA 13 13 27740 1 . PHE 14 14 27740 1 . ARG 15 15 27740 1 . VAL 16 16 27740 1 . PHE 17 17 27740 1 . ASP 18 18 27740 1 . LYS 19 19 27740 1 . ASP 20 20 27740 1 . GLY 21 21 27740 1 . ASN 22 22 27740 1 . GLY 23 23 27740 1 . TYR 24 24 27740 1 . ILE 25 25 27740 1 . SER 26 26 27740 1 . ALA 27 27 27740 1 . ALA 28 28 27740 1 . GLU 29 29 27740 1 . LEU 30 30 27740 1 . ARG 31 31 27740 1 . HIS 32 32 27740 1 . VAL 33 33 27740 1 . MET 34 34 27740 1 . THR 35 35 27740 1 . ASN 36 36 27740 1 . LEU 37 37 27740 1 . GLY 38 38 27740 1 . GLU 39 39 27740 1 . LYS 40 40 27740 1 . LEU 41 41 27740 1 . THR 42 42 27740 1 . ASP 43 43 27740 1 . GLU 44 44 27740 1 . GLU 45 45 27740 1 . VAL 46 46 27740 1 . ASP 47 47 27740 1 . GLU 48 48 27740 1 . MET 49 49 27740 1 . ILE 50 50 27740 1 . ARG 51 51 27740 1 . GLU 52 52 27740 1 . ALA 53 53 27740 1 . ASP 54 54 27740 1 . ILE 55 55 27740 1 . ASP 56 56 27740 1 . GLY 57 57 27740 1 . ASP 58 58 27740 1 . GLY 59 59 27740 1 . GLN 60 60 27740 1 . VAL 61 61 27740 1 . ASN 62 62 27740 1 . TYR 63 63 27740 1 . GLU 64 64 27740 1 . GLU 65 65 27740 1 . PHE 66 66 27740 1 . VAL 67 67 27740 1 . GLN 68 68 27740 1 . MET 69 69 27740 1 . MET 70 70 27740 1 . THR 71 71 27740 1 . ALA 72 72 27740 1 . LYS 73 73 27740 1 stop_ save_ save_voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide _Entity.Sf_category entity _Entity.Sf_framecode voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide _Entity.Entry_ID 27740 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSKRKQEEVSAIIIQRAY RRYLLKQKVKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues number 1901-1927' _Entity.Polymer_author_seq_details ; First four residues (GPGS) are part of a 3C protease cleavage site (numbered -4 to -1). NaV1.2 residue 1901 is residue 5 of the peptide. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q99250 . 'Voltage-gated sodium channel 1.2' . . . . . . . . . . . . . . 27740 2 2 yes NCBI NP_001035232.1 . 'Voltage-gated sodium channel' . . . . . . . . . . . . . . 27740 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 27740 2 2 -3 PRO . 27740 2 3 -2 GLY . 27740 2 4 -1 SER . 27740 2 5 1901 LYS . 27740 2 6 1902 ARG . 27740 2 7 1903 LYS . 27740 2 8 1904 GLN . 27740 2 9 1905 GLU . 27740 2 10 1906 GLU . 27740 2 11 1907 VAL . 27740 2 12 1908 SER . 27740 2 13 1909 ALA . 27740 2 14 1910 ILE . 27740 2 15 1911 ILE . 27740 2 16 1912 ILE . 27740 2 17 1913 GLN . 27740 2 18 1914 ARG . 27740 2 19 1915 ALA . 27740 2 20 1916 TYR . 27740 2 21 1917 ARG . 27740 2 22 1918 ARG . 27740 2 23 1919 TYR . 27740 2 24 1920 LEU . 27740 2 25 1921 LEU . 27740 2 26 1922 LYS . 27740 2 27 1923 GLN . 27740 2 28 1924 LYS . 27740 2 29 1925 VAL . 27740 2 30 1926 LYS . 27740 2 31 1927 LYS . 27740 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27740 2 . PRO 2 2 27740 2 . GLY 3 3 27740 2 . SER 4 4 27740 2 . LYS 5 5 27740 2 . ARG 6 6 27740 2 . LYS 7 7 27740 2 . GLN 8 8 27740 2 . GLU 9 9 27740 2 . GLU 10 10 27740 2 . VAL 11 11 27740 2 . SER 12 12 27740 2 . ALA 13 13 27740 2 . ILE 14 14 27740 2 . ILE 15 15 27740 2 . ILE 16 16 27740 2 . GLN 17 17 27740 2 . ARG 18 18 27740 2 . ALA 19 19 27740 2 . TYR 20 20 27740 2 . ARG 21 21 27740 2 . ARG 22 22 27740 2 . TYR 23 23 27740 2 . LEU 24 24 27740 2 . LEU 25 25 27740 2 . LYS 26 26 27740 2 . GLN 27 27 27740 2 . LYS 28 28 27740 2 . VAL 29 29 27740 2 . LYS 30 30 27740 2 . LYS 31 31 27740 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 27740 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 27740 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 27740 3 CA 'Three letter code' 27740 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 27740 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27740 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Calmodulin_C-domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27740 1 2 2 $voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27740 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27740 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Calmodulin_C-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pT7-7 . . . 27740 1 2 2 $voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pBG101 . . . 27740 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 27740 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 27740 CA InChI=1S/Ca/q+2 InChI InChI 1.03 27740 CA [Ca++] SMILES CACTVS 3.341 27740 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 27740 CA [Ca+2] SMILES ACDLabs 10.04 27740 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 27740 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27740 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 27740 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27740 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27740 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27740 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Calmodulin C-domain' '[U-99% 13C; U-99% 15N]' . . 1 $Calmodulin_C-domain . . 0.8 . . mM . . . . 27740 1 2 'voltage-gated sodium channel NaV1.2 IQ motif peptide' '[U-99% 13C; U-99% 15N]' . . 2 $voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide . . 0.8 . . mM . . . . 27740 1 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 27740 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27740 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 27740 1 6 'calcium chloride' '[U-99% 13C; U-99% 15N]' . . . . . . 10 . . mM . . . . 27740 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27740 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 27740 1 pH 6.5 . pH 27740 1 pressure 1 . atm 27740 1 temperature 298 . K 27740 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27740 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27740 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27740 1 stop_ save_ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 27740 _Software.ID 2 _Software.Type . _Software.Name NMRpipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27740 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27740 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27740 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27740 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27740 3 'data analysis' . 27740 3 'peak picking' . 27740 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27740 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27740 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27740 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27740 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27740 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27740 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27740 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27740 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27740 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 na indirect 0.25144953 . . . . . 27740 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27740 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 27740 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27740 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27740 1 2 '3D HNCO' . . . 27740 1 3 '3D HNCACB' . . . 27740 1 4 '3D CBCA(CO)NH' . . . 27740 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27740 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 LYS C C 13 175.991 0.000 . 1 . . . . . 77 LYS C . 27740 1 2 . 1 . 1 2 2 LYS CA C 13 56.582 0.027 . 1 . . . . . 77 LYS CA . 27740 1 3 . 1 . 1 2 2 LYS CB C 13 33.298 0.023 . 1 . . . . . 77 LYS CB . 27740 1 4 . 1 . 1 3 3 ASP C C 13 176.420 0.000 . 1 . . . . . 78 ASP C . 27740 1 5 . 1 . 1 3 3 ASP CA C 13 54.826 0.029 . 1 . . . . . 78 ASP CA . 27740 1 6 . 1 . 1 3 3 ASP CB C 13 41.326 0.000 . 1 . . . . . 78 ASP CB . 27740 1 7 . 1 . 1 3 3 ASP H H 1 8.595 0.001 . 1 . . . . . 78 ASP H . 27740 1 8 . 1 . 1 3 3 ASP N N 15 122.308 0.009 . 1 . . . . . 78 ASP N . 27740 1 9 . 1 . 1 4 4 THR C C 13 174.590 0.000 . 1 . . . . . 79 THR C . 27740 1 10 . 1 . 1 4 4 THR CA C 13 62.091 0.006 . 1 . . . . . 79 THR CA . 27740 1 11 . 1 . 1 4 4 THR CB C 13 69.694 0.027 . 1 . . . . . 79 THR CB . 27740 1 12 . 1 . 1 4 4 THR H H 1 8.086 0.001 . 1 . . . . . 79 THR H . 27740 1 13 . 1 . 1 4 4 THR N N 15 113.335 0.010 . 1 . . . . . 79 THR N . 27740 1 14 . 1 . 1 5 5 ASP C C 13 176.723 0.000 . 1 . . . . . 80 ASP C . 27740 1 15 . 1 . 1 5 5 ASP CA C 13 54.908 0.000 . 1 . . . . . 80 ASP CA . 27740 1 16 . 1 . 1 5 5 ASP CB C 13 41.312 0.013 . 1 . . . . . 80 ASP CB . 27740 1 17 . 1 . 1 5 5 ASP H H 1 8.355 0.001 . 1 . . . . . 80 ASP H . 27740 1 18 . 1 . 1 5 5 ASP N N 15 122.859 0.008 . 1 . . . . . 80 ASP N . 27740 1 19 . 1 . 1 6 6 SER C C 13 175.391 0.000 . 1 . . . . . 81 SER C . 27740 1 20 . 1 . 1 6 6 SER CA C 13 59.161 0.034 . 1 . . . . . 81 SER CA . 27740 1 21 . 1 . 1 6 6 SER CB C 13 63.797 0.000 . 1 . . . . . 81 SER CB . 27740 1 22 . 1 . 1 6 6 SER H H 1 8.418 0.002 . 1 . . . . . 81 SER H . 27740 1 23 . 1 . 1 6 6 SER N N 15 116.740 0.014 . 1 . . . . . 81 SER N . 27740 1 24 . 1 . 1 7 7 GLU C C 13 177.873 0.000 . 1 . . . . . 82 GLU C . 27740 1 25 . 1 . 1 7 7 GLU CA C 13 58.864 0.056 . 1 . . . . . 82 GLU CA . 27740 1 26 . 1 . 1 7 7 GLU CB C 13 29.648 0.027 . 1 . . . . . 82 GLU CB . 27740 1 27 . 1 . 1 7 7 GLU H H 1 8.507 0.003 . 1 . . . . . 82 GLU H . 27740 1 28 . 1 . 1 7 7 GLU N N 15 122.742 0.018 . 1 . . . . . 82 GLU N . 27740 1 29 . 1 . 1 8 8 GLU C C 13 178.576 0.000 . 1 . . . . . 83 GLU C . 27740 1 30 . 1 . 1 8 8 GLU CA C 13 58.897 0.000 . 1 . . . . . 83 GLU CA . 27740 1 31 . 1 . 1 8 8 GLU CB C 13 29.407 0.132 . 1 . . . . . 83 GLU CB . 27740 1 32 . 1 . 1 8 8 GLU H H 1 8.332 0.002 . 1 . . . . . 83 GLU H . 27740 1 33 . 1 . 1 8 8 GLU N N 15 119.426 0.006 . 1 . . . . . 83 GLU N . 27740 1 34 . 1 . 1 9 9 GLU C C 13 178.601 0.000 . 1 . . . . . 84 GLU C . 27740 1 35 . 1 . 1 9 9 GLU CA C 13 62.649 0.000 . 1 . . . . . 84 GLU CA . 27740 1 36 . 1 . 1 9 9 GLU CB C 13 29.872 0.000 . 1 . . . . . 84 GLU CB . 27740 1 37 . 1 . 1 9 9 GLU H H 1 8.069 0.003 . 1 . . . . . 84 GLU H . 27740 1 38 . 1 . 1 9 9 GLU N N 15 119.009 0.013 . 1 . . . . . 84 GLU N . 27740 1 39 . 1 . 1 10 10 ILE C C 13 177.920 0.000 . 1 . . . . . 85 ILE C . 27740 1 40 . 1 . 1 10 10 ILE CA C 13 59.391 0.000 . 1 . . . . . 85 ILE CA . 27740 1 41 . 1 . 1 10 10 ILE CB C 13 37.314 0.067 . 1 . . . . . 85 ILE CB . 27740 1 42 . 1 . 1 10 10 ILE H H 1 7.879 0.004 . 1 . . . . . 85 ILE H . 27740 1 43 . 1 . 1 10 10 ILE N N 15 120.465 0.036 . 1 . . . . . 85 ILE N . 27740 1 44 . 1 . 1 11 11 ARG C C 13 179.223 0.000 . 1 . . . . . 86 ARG C . 27740 1 45 . 1 . 1 11 11 ARG CA C 13 59.967 0.015 . 1 . . . . . 86 ARG CA . 27740 1 46 . 1 . 1 11 11 ARG CB C 13 29.967 0.004 . 1 . . . . . 86 ARG CB . 27740 1 47 . 1 . 1 11 11 ARG H H 1 8.340 0.004 . 1 . . . . . 86 ARG H . 27740 1 48 . 1 . 1 11 11 ARG N N 15 121.056 0.013 . 1 . . . . . 86 ARG N . 27740 1 49 . 1 . 1 12 12 GLU C C 13 178.818 0.000 . 1 . . . . . 87 GLU C . 27740 1 50 . 1 . 1 12 12 GLU CA C 13 59.949 0.000 . 1 . . . . . 87 GLU CA . 27740 1 51 . 1 . 1 12 12 GLU CB C 13 29.362 0.067 . 1 . . . . . 87 GLU CB . 27740 1 52 . 1 . 1 12 12 GLU H H 1 8.036 0.001 . 1 . . . . . 87 GLU H . 27740 1 53 . 1 . 1 12 12 GLU N N 15 118.722 0.007 . 1 . . . . . 87 GLU N . 27740 1 54 . 1 . 1 13 13 ALA C C 13 178.790 0.000 . 1 . . . . . 88 ALA C . 27740 1 55 . 1 . 1 13 13 ALA CA C 13 55.395 0.040 . 1 . . . . . 88 ALA CA . 27740 1 56 . 1 . 1 13 13 ALA CB C 13 16.867 0.074 . 1 . . . . . 88 ALA CB . 27740 1 57 . 1 . 1 13 13 ALA H H 1 8.091 0.002 . 1 . . . . . 88 ALA H . 27740 1 58 . 1 . 1 13 13 ALA N N 15 122.025 0.013 . 1 . . . . . 88 ALA N . 27740 1 59 . 1 . 1 14 14 PHE C C 13 176.276 0.000 . 1 . . . . . 89 PHE C . 27740 1 60 . 1 . 1 14 14 PHE CA C 13 55.421 0.000 . 1 . . . . . 89 PHE CA . 27740 1 61 . 1 . 1 14 14 PHE CB C 13 39.006 0.040 . 1 . . . . . 89 PHE CB . 27740 1 62 . 1 . 1 14 14 PHE H H 1 8.485 0.004 . 1 . . . . . 89 PHE H . 27740 1 63 . 1 . 1 14 14 PHE N N 15 118.507 0.017 . 1 . . . . . 89 PHE N . 27740 1 64 . 1 . 1 15 15 ARG C C 13 178.007 0.000 . 1 . . . . . 90 ARG C . 27740 1 65 . 1 . 1 15 15 ARG CA C 13 58.532 0.030 . 1 . . . . . 90 ARG CA . 27740 1 66 . 1 . 1 15 15 ARG CB C 13 30.331 0.045 . 1 . . . . . 90 ARG CB . 27740 1 67 . 1 . 1 15 15 ARG H H 1 7.448 0.004 . 1 . . . . . 90 ARG H . 27740 1 68 . 1 . 1 15 15 ARG N N 15 114.592 0.018 . 1 . . . . . 90 ARG N . 27740 1 69 . 1 . 1 16 16 VAL C C 13 176.396 0.000 . 1 . . . . . 91 VAL C . 27740 1 70 . 1 . 1 16 16 VAL CA C 13 65.469 0.025 . 1 . . . . . 91 VAL CA . 27740 1 71 . 1 . 1 16 16 VAL CB C 13 31.273 0.000 . 1 . . . . . 91 VAL CB . 27740 1 72 . 1 . 1 16 16 VAL H H 1 7.391 0.003 . 1 . . . . . 91 VAL H . 27740 1 73 . 1 . 1 16 16 VAL N N 15 118.806 0.017 . 1 . . . . . 91 VAL N . 27740 1 74 . 1 . 1 17 17 PHE C C 13 175.739 0.000 . 1 . . . . . 92 PHE C . 27740 1 75 . 1 . 1 17 17 PHE CA C 13 60.746 0.116 . 1 . . . . . 92 PHE CA . 27740 1 76 . 1 . 1 17 17 PHE CB C 13 40.431 0.077 . 1 . . . . . 92 PHE CB . 27740 1 77 . 1 . 1 17 17 PHE H H 1 7.017 0.003 . 1 . . . . . 92 PHE H . 27740 1 78 . 1 . 1 17 17 PHE N N 15 115.364 0.022 . 1 . . . . . 92 PHE N . 27740 1 79 . 1 . 1 18 18 ASP C C 13 177.723 0.000 . 1 . . . . . 93 ASP C . 27740 1 80 . 1 . 1 18 18 ASP CA C 13 51.820 0.023 . 1 . . . . . 93 ASP CA . 27740 1 81 . 1 . 1 18 18 ASP CB C 13 38.066 0.034 . 1 . . . . . 93 ASP CB . 27740 1 82 . 1 . 1 18 18 ASP H H 1 7.769 0.009 . 1 . . . . . 93 ASP H . 27740 1 83 . 1 . 1 18 18 ASP N N 15 115.932 0.021 . 1 . . . . . 93 ASP N . 27740 1 84 . 1 . 1 19 19 LYS C C 13 178.149 0.000 . 1 . . . . . 94 LYS C . 27740 1 85 . 1 . 1 19 19 LYS CA C 13 59.287 0.090 . 1 . . . . . 94 LYS CA . 27740 1 86 . 1 . 1 19 19 LYS CB C 13 32.850 0.015 . 1 . . . . . 94 LYS CB . 27740 1 87 . 1 . 1 19 19 LYS H H 1 7.470 0.002 . 1 . . . . . 94 LYS H . 27740 1 88 . 1 . 1 19 19 LYS N N 15 125.622 0.011 . 1 . . . . . 94 LYS N . 27740 1 89 . 1 . 1 20 20 ASP C C 13 177.751 0.000 . 1 . . . . . 95 ASP C . 27740 1 90 . 1 . 1 20 20 ASP CA C 13 53.136 0.082 . 1 . . . . . 95 ASP CA . 27740 1 91 . 1 . 1 20 20 ASP CB C 13 39.829 0.050 . 1 . . . . . 95 ASP CB . 27740 1 92 . 1 . 1 20 20 ASP H H 1 8.345 0.003 . 1 . . . . . 95 ASP H . 27740 1 93 . 1 . 1 20 20 ASP N N 15 114.116 0.018 . 1 . . . . . 95 ASP N . 27740 1 94 . 1 . 1 21 21 GLY C C 13 175.181 0.000 . 1 . . . . . 96 GLY C . 27740 1 95 . 1 . 1 21 21 GLY CA C 13 47.152 0.001 . 1 . . . . . 96 GLY CA . 27740 1 96 . 1 . 1 21 21 GLY H H 1 7.826 0.002 . 1 . . . . . 96 GLY H . 27740 1 97 . 1 . 1 21 21 GLY N N 15 109.555 0.005 . 1 . . . . . 96 GLY N . 27740 1 98 . 1 . 1 22 22 ASN C C 13 176.045 0.000 . 1 . . . . . 97 ASN C . 27740 1 99 . 1 . 1 22 22 ASN CA C 13 52.823 0.050 . 1 . . . . . 97 ASN CA . 27740 1 100 . 1 . 1 22 22 ASN CB C 13 38.264 0.056 . 1 . . . . . 97 ASN CB . 27740 1 101 . 1 . 1 22 22 ASN H H 1 8.349 0.001 . 1 . . . . . 97 ASN H . 27740 1 102 . 1 . 1 22 22 ASN N N 15 119.894 0.011 . 1 . . . . . 97 ASN N . 27740 1 103 . 1 . 1 23 23 GLY C C 13 172.517 0.000 . 1 . . . . . 98 GLY C . 27740 1 104 . 1 . 1 23 23 GLY CA C 13 45.048 0.070 . 1 . . . . . 98 GLY CA . 27740 1 105 . 1 . 1 23 23 GLY H H 1 10.692 0.005 . 1 . . . . . 98 GLY H . 27740 1 106 . 1 . 1 23 23 GLY N N 15 113.065 0.013 . 1 . . . . . 98 GLY N . 27740 1 107 . 1 . 1 24 24 TYR C C 13 174.634 0.000 . 1 . . . . . 99 TYR C . 27740 1 108 . 1 . 1 24 24 TYR CA C 13 56.137 0.036 . 1 . . . . . 99 TYR CA . 27740 1 109 . 1 . 1 24 24 TYR CB C 13 42.968 0.053 . 1 . . . . . 99 TYR CB . 27740 1 110 . 1 . 1 24 24 TYR H H 1 7.642 0.001 . 1 . . . . . 99 TYR H . 27740 1 111 . 1 . 1 24 24 TYR N N 15 116.286 0.016 . 1 . . . . . 99 TYR N . 27740 1 112 . 1 . 1 25 25 ILE C C 13 175.540 0.000 . 1 . . . . . 100 ILE C . 27740 1 113 . 1 . 1 25 25 ILE CA C 13 61.029 0.046 . 1 . . . . . 100 ILE CA . 27740 1 114 . 1 . 1 25 25 ILE CB C 13 39.467 0.073 . 1 . . . . . 100 ILE CB . 27740 1 115 . 1 . 1 25 25 ILE H H 1 10.136 0.003 . 1 . . . . . 100 ILE H . 27740 1 116 . 1 . 1 25 25 ILE N N 15 127.449 0.023 . 1 . . . . . 100 ILE N . 27740 1 117 . 1 . 1 26 26 SER C C 13 175.136 0.000 . 1 . . . . . 101 SER C . 27740 1 118 . 1 . 1 26 26 SER CA C 13 55.734 0.002 . 1 . . . . . 101 SER CA . 27740 1 119 . 1 . 1 26 26 SER CB C 13 66.630 0.044 . 1 . . . . . 101 SER CB . 27740 1 120 . 1 . 1 26 26 SER H H 1 8.875 0.005 . 1 . . . . . 101 SER H . 27740 1 121 . 1 . 1 26 26 SER N N 15 123.862 0.013 . 1 . . . . . 101 SER N . 27740 1 122 . 1 . 1 27 27 ALA C C 13 179.295 0.000 . 1 . . . . . 102 ALA C . 27740 1 123 . 1 . 1 27 27 ALA CA C 13 55.916 0.049 . 1 . . . . . 102 ALA CA . 27740 1 124 . 1 . 1 27 27 ALA CB C 13 18.030 0.012 . 1 . . . . . 102 ALA CB . 27740 1 125 . 1 . 1 27 27 ALA H H 1 9.332 0.003 . 1 . . . . . 102 ALA H . 27740 1 126 . 1 . 1 27 27 ALA N N 15 123.378 0.009 . 1 . . . . . 102 ALA N . 27740 1 127 . 1 . 1 28 28 ALA C C 13 181.436 0.000 . 1 . . . . . 103 ALA C . 27740 1 128 . 1 . 1 28 28 ALA CA C 13 55.883 0.000 . 1 . . . . . 103 ALA CA . 27740 1 129 . 1 . 1 28 28 ALA CB C 13 18.406 0.064 . 1 . . . . . 103 ALA CB . 27740 1 130 . 1 . 1 28 28 ALA H H 1 8.297 0.002 . 1 . . . . . 103 ALA H . 27740 1 131 . 1 . 1 28 28 ALA N N 15 118.458 0.007 . 1 . . . . . 103 ALA N . 27740 1 132 . 1 . 1 29 29 GLU C C 13 178.225 0.000 . 1 . . . . . 104 GLU C . 27740 1 133 . 1 . 1 29 29 GLU CA C 13 59.684 0.049 . 1 . . . . . 104 GLU CA . 27740 1 134 . 1 . 1 29 29 GLU CB C 13 29.381 0.000 . 1 . . . . . 104 GLU CB . 27740 1 135 . 1 . 1 29 29 GLU H H 1 7.910 0.002 . 1 . . . . . 104 GLU H . 27740 1 136 . 1 . 1 29 29 GLU N N 15 119.848 0.011 . 1 . . . . . 104 GLU N . 27740 1 137 . 1 . 1 30 30 LEU C C 13 178.577 0.000 . 1 . . . . . 105 LEU C . 27740 1 138 . 1 . 1 30 30 LEU CA C 13 58.679 0.144 . 1 . . . . . 105 LEU CA . 27740 1 139 . 1 . 1 30 30 LEU CB C 13 41.860 0.022 . 1 . . . . . 105 LEU CB . 27740 1 140 . 1 . 1 30 30 LEU H H 1 8.575 0.002 . 1 . . . . . 105 LEU H . 27740 1 141 . 1 . 1 30 30 LEU N N 15 119.760 0.027 . 1 . . . . . 105 LEU N . 27740 1 142 . 1 . 1 31 31 ARG C C 13 176.177 0.000 . 1 . . . . . 106 ARG C . 27740 1 143 . 1 . 1 31 31 ARG CA C 13 58.535 0.000 . 1 . . . . . 106 ARG CA . 27740 1 144 . 1 . 1 31 31 ARG CB C 13 30.835 0.073 . 1 . . . . . 106 ARG CB . 27740 1 145 . 1 . 1 31 31 ARG H H 1 8.680 0.003 . 1 . . . . . 106 ARG H . 27740 1 146 . 1 . 1 31 31 ARG N N 15 116.765 0.008 . 1 . . . . . 106 ARG N . 27740 1 147 . 1 . 1 32 32 HIS CA C 13 59.926 0.000 . 1 . . . . . 107 HIS CA . 27740 1 148 . 1 . 1 32 32 HIS CB C 13 30.837 0.000 . 1 . . . . . 107 HIS CB . 27740 1 149 . 1 . 1 32 32 HIS H H 1 8.062 0.002 . 1 . . . . . 107 HIS H . 27740 1 150 . 1 . 1 32 32 HIS N N 15 119.247 0.034 . 1 . . . . . 107 HIS N . 27740 1 151 . 1 . 1 33 33 VAL C C 13 178.390 0.000 . 1 . . . . . 108 VAL C . 27740 1 152 . 1 . 1 33 33 VAL CA C 13 66.870 0.000 . 1 . . . . . 108 VAL CA . 27740 1 153 . 1 . 1 34 34 MET C C 13 178.781 0.000 . 1 . . . . . 109 MET C . 27740 1 154 . 1 . 1 34 34 MET CA C 13 58.604 0.033 . 1 . . . . . 109 MET CA . 27740 1 155 . 1 . 1 34 34 MET CB C 13 31.311 0.000 . 1 . . . . . 109 MET CB . 27740 1 156 . 1 . 1 34 34 MET H H 1 8.461 0.006 . 1 . . . . . 109 MET H . 27740 1 157 . 1 . 1 34 34 MET N N 15 116.077 0.012 . 1 . . . . . 109 MET N . 27740 1 158 . 1 . 1 35 35 THR C C 13 178.000 0.000 . 1 . . . . . 110 THR C . 27740 1 159 . 1 . 1 35 35 THR CA C 13 59.292 0.000 . 1 . . . . . 110 THR CA . 27740 1 160 . 1 . 1 35 35 THR CB C 13 66.866 0.000 . 1 . . . . . 110 THR CB . 27740 1 161 . 1 . 1 35 35 THR H H 1 7.896 0.004 . 1 . . . . . 110 THR H . 27740 1 162 . 1 . 1 35 35 THR N N 15 114.942 0.012 . 1 . . . . . 110 THR N . 27740 1 163 . 1 . 1 36 36 ASN C C 13 176.489 0.000 . 1 . . . . . 111 ASN C . 27740 1 164 . 1 . 1 36 36 ASN CA C 13 56.114 0.079 . 1 . . . . . 111 ASN CA . 27740 1 165 . 1 . 1 36 36 ASN CB C 13 38.580 0.094 . 1 . . . . . 111 ASN CB . 27740 1 166 . 1 . 1 36 36 ASN H H 1 7.895 0.010 . 1 . . . . . 111 ASN H . 27740 1 167 . 1 . 1 36 36 ASN N N 15 122.383 0.015 . 1 . . . . . 111 ASN N . 27740 1 168 . 1 . 1 37 37 LEU C C 13 176.764 0.000 . 1 . . . . . 112 LEU C . 27740 1 169 . 1 . 1 37 37 LEU CA C 13 56.116 0.000 . 1 . . . . . 112 LEU CA . 27740 1 170 . 1 . 1 37 37 LEU CB C 13 38.486 0.000 . 1 . . . . . 112 LEU CB . 27740 1 171 . 1 . 1 37 37 LEU H H 1 7.972 0.003 . 1 . . . . . 112 LEU H . 27740 1 172 . 1 . 1 37 37 LEU N N 15 118.531 0.022 . 1 . . . . . 112 LEU N . 27740 1 173 . 1 . 1 38 38 GLY C C 13 174.457 0.000 . 1 . . . . . 113 GLY C . 27740 1 174 . 1 . 1 38 38 GLY CA C 13 46.158 0.067 . 1 . . . . . 113 GLY CA . 27740 1 175 . 1 . 1 38 38 GLY H H 1 7.668 0.002 . 1 . . . . . 113 GLY H . 27740 1 176 . 1 . 1 38 38 GLY N N 15 105.972 0.022 . 1 . . . . . 113 GLY N . 27740 1 177 . 1 . 1 39 39 GLU C C 13 175.232 0.000 . 1 . . . . . 114 GLU C . 27740 1 178 . 1 . 1 39 39 GLU CA C 13 54.645 0.060 . 1 . . . . . 114 GLU CA . 27740 1 179 . 1 . 1 39 39 GLU CB C 13 30.474 0.106 . 1 . . . . . 114 GLU CB . 27740 1 180 . 1 . 1 39 39 GLU H H 1 8.069 0.002 . 1 . . . . . 114 GLU H . 27740 1 181 . 1 . 1 39 39 GLU N N 15 120.248 0.010 . 1 . . . . . 114 GLU N . 27740 1 182 . 1 . 1 40 40 LYS C C 13 175.363 0.000 . 1 . . . . . 115 LYS C . 27740 1 183 . 1 . 1 40 40 LYS CA C 13 55.711 0.003 . 1 . . . . . 115 LYS CA . 27740 1 184 . 1 . 1 40 40 LYS CB C 13 32.011 0.013 . 1 . . . . . 115 LYS CB . 27740 1 185 . 1 . 1 40 40 LYS H H 1 8.695 0.002 . 1 . . . . . 115 LYS H . 27740 1 186 . 1 . 1 40 40 LYS N N 15 124.921 0.010 . 1 . . . . . 115 LYS N . 27740 1 187 . 1 . 1 41 41 LEU C C 13 177.973 0.000 . 1 . . . . . 116 LEU C . 27740 1 188 . 1 . 1 41 41 LEU CA C 13 53.852 0.007 . 1 . . . . . 116 LEU CA . 27740 1 189 . 1 . 1 41 41 LEU CB C 13 45.254 0.019 . 1 . . . . . 116 LEU CB . 27740 1 190 . 1 . 1 41 41 LEU H H 1 8.192 0.002 . 1 . . . . . 116 LEU H . 27740 1 191 . 1 . 1 41 41 LEU N N 15 125.691 0.014 . 1 . . . . . 116 LEU N . 27740 1 192 . 1 . 1 42 42 THR C C 13 175.458 0.000 . 1 . . . . . 117 THR C . 27740 1 193 . 1 . 1 42 42 THR CA C 13 60.799 0.056 . 1 . . . . . 117 THR CA . 27740 1 194 . 1 . 1 42 42 THR CB C 13 71.153 0.044 . 1 . . . . . 117 THR CB . 27740 1 195 . 1 . 1 42 42 THR H H 1 9.343 0.002 . 1 . . . . . 117 THR H . 27740 1 196 . 1 . 1 42 42 THR N N 15 114.940 0.029 . 1 . . . . . 117 THR N . 27740 1 197 . 1 . 1 43 43 ASP C C 13 178.598 0.000 . 1 . . . . . 118 ASP C . 27740 1 198 . 1 . 1 43 43 ASP CA C 13 58.110 0.018 . 1 . . . . . 118 ASP CA . 27740 1 199 . 1 . 1 43 43 ASP CB C 13 39.674 0.000 . 1 . . . . . 118 ASP CB . 27740 1 200 . 1 . 1 43 43 ASP H H 1 8.923 0.001 . 1 . . . . . 118 ASP H . 27740 1 201 . 1 . 1 43 43 ASP N N 15 121.104 0.008 . 1 . . . . . 118 ASP N . 27740 1 202 . 1 . 1 44 44 GLU C C 13 179.173 0.000 . 1 . . . . . 119 GLU C . 27740 1 203 . 1 . 1 44 44 GLU CA C 13 59.966 0.026 . 1 . . . . . 119 GLU CA . 27740 1 204 . 1 . 1 44 44 GLU CB C 13 29.203 0.031 . 1 . . . . . 119 GLU CB . 27740 1 205 . 1 . 1 44 44 GLU H H 1 8.659 0.002 . 1 . . . . . 119 GLU H . 27740 1 206 . 1 . 1 44 44 GLU N N 15 119.104 0.012 . 1 . . . . . 119 GLU N . 27740 1 207 . 1 . 1 45 45 GLU C C 13 179.859 0.000 . 1 . . . . . 120 GLU C . 27740 1 208 . 1 . 1 45 45 GLU CA C 13 59.387 0.014 . 1 . . . . . 120 GLU CA . 27740 1 209 . 1 . 1 45 45 GLU CB C 13 29.204 0.000 . 1 . . . . . 120 GLU CB . 27740 1 210 . 1 . 1 45 45 GLU H H 1 7.802 0.001 . 1 . . . . . 120 GLU H . 27740 1 211 . 1 . 1 45 45 GLU N N 15 120.706 0.011 . 1 . . . . . 120 GLU N . 27740 1 212 . 1 . 1 46 46 VAL C C 13 177.294 0.000 . 1 . . . . . 121 VAL C . 27740 1 213 . 1 . 1 46 46 VAL CA C 13 59.398 0.000 . 1 . . . . . 121 VAL CA . 27740 1 214 . 1 . 1 46 46 VAL CB C 13 30.204 0.000 . 1 . . . . . 121 VAL CB . 27740 1 215 . 1 . 1 46 46 VAL H H 1 8.069 0.001 . 1 . . . . . 121 VAL H . 27740 1 216 . 1 . 1 46 46 VAL N N 15 120.471 0.014 . 1 . . . . . 121 VAL N . 27740 1 217 . 1 . 1 47 47 ASP C C 13 179.257 0.000 . 1 . . . . . 122 ASP C . 27740 1 218 . 1 . 1 47 47 ASP CA C 13 57.721 0.028 . 1 . . . . . 122 ASP CA . 27740 1 219 . 1 . 1 47 47 ASP CB C 13 40.493 0.039 . 1 . . . . . 122 ASP CB . 27740 1 220 . 1 . 1 47 47 ASP H H 1 8.095 0.002 . 1 . . . . . 122 ASP H . 27740 1 221 . 1 . 1 47 47 ASP N N 15 119.750 0.022 . 1 . . . . . 122 ASP N . 27740 1 222 . 1 . 1 48 48 GLU C C 13 177.999 0.000 . 1 . . . . . 123 GLU C . 27740 1 223 . 1 . 1 48 48 GLU CA C 13 59.122 0.034 . 1 . . . . . 123 GLU CA . 27740 1 224 . 1 . 1 48 48 GLU CB C 13 29.261 0.057 . 1 . . . . . 123 GLU CB . 27740 1 225 . 1 . 1 48 48 GLU H H 1 8.010 0.002 . 1 . . . . . 123 GLU H . 27740 1 226 . 1 . 1 48 48 GLU N N 15 119.591 0.014 . 1 . . . . . 123 GLU N . 27740 1 227 . 1 . 1 49 49 MET C C 13 179.048 0.000 . 1 . . . . . 124 MET C . 27740 1 228 . 1 . 1 49 49 MET CA C 13 59.535 0.041 . 1 . . . . . 124 MET CA . 27740 1 229 . 1 . 1 49 49 MET CB C 13 33.521 0.107 . 1 . . . . . 124 MET CB . 27740 1 230 . 1 . 1 49 49 MET H H 1 7.858 0.001 . 1 . . . . . 124 MET H . 27740 1 231 . 1 . 1 49 49 MET N N 15 119.723 0.011 . 1 . . . . . 124 MET N . 27740 1 232 . 1 . 1 50 50 ILE C C 13 177.080 0.000 . 1 . . . . . 125 ILE C . 27740 1 233 . 1 . 1 50 50 ILE CA C 13 63.623 0.000 . 1 . . . . . 125 ILE CA . 27740 1 234 . 1 . 1 50 50 ILE CB C 13 36.131 0.037 . 1 . . . . . 125 ILE CB . 27740 1 235 . 1 . 1 50 50 ILE H H 1 7.901 0.003 . 1 . . . . . 125 ILE H . 27740 1 236 . 1 . 1 50 50 ILE N N 15 117.908 0.025 . 1 . . . . . 125 ILE N . 27740 1 237 . 1 . 1 51 51 ARG C C 13 179.383 0.000 . 1 . . . . . 126 ARG C . 27740 1 238 . 1 . 1 51 51 ARG CA C 13 59.805 0.024 . 1 . . . . . 126 ARG CA . 27740 1 239 . 1 . 1 51 51 ARG CB C 13 30.271 0.030 . 1 . . . . . 126 ARG CB . 27740 1 240 . 1 . 1 51 51 ARG H H 1 8.233 0.003 . 1 . . . . . 126 ARG H . 27740 1 241 . 1 . 1 51 51 ARG N N 15 118.117 0.004 . 1 . . . . . 126 ARG N . 27740 1 242 . 1 . 1 52 52 GLU C C 13 177.281 0.000 . 1 . . . . . 127 GLU C . 27740 1 243 . 1 . 1 52 52 GLU CA C 13 58.513 0.027 . 1 . . . . . 127 GLU CA . 27740 1 244 . 1 . 1 52 52 GLU CB C 13 29.709 0.053 . 1 . . . . . 127 GLU CB . 27740 1 245 . 1 . 1 52 52 GLU H H 1 7.985 0.001 . 1 . . . . . 127 GLU H . 27740 1 246 . 1 . 1 52 52 GLU N N 15 116.148 0.009 . 1 . . . . . 127 GLU N . 27740 1 247 . 1 . 1 53 53 ALA C C 13 177.893 0.000 . 1 . . . . . 128 ALA C . 27740 1 248 . 1 . 1 53 53 ALA CA C 13 52.072 0.036 . 1 . . . . . 128 ALA CA . 27740 1 249 . 1 . 1 53 53 ALA CB C 13 21.192 0.045 . 1 . . . . . 128 ALA CB . 27740 1 250 . 1 . 1 53 53 ALA H H 1 7.270 0.005 . 1 . . . . . 128 ALA H . 27740 1 251 . 1 . 1 53 53 ALA N N 15 118.806 0.010 . 1 . . . . . 128 ALA N . 27740 1 252 . 1 . 1 54 54 ASP C C 13 175.964 0.000 . 1 . . . . . 129 ASP C . 27740 1 253 . 1 . 1 54 54 ASP CA C 13 54.267 0.078 . 1 . . . . . 129 ASP CA . 27740 1 254 . 1 . 1 54 54 ASP CB C 13 40.315 0.039 . 1 . . . . . 129 ASP CB . 27740 1 255 . 1 . 1 54 54 ASP H H 1 7.873 0.002 . 1 . . . . . 129 ASP H . 27740 1 256 . 1 . 1 54 54 ASP N N 15 117.784 0.017 . 1 . . . . . 129 ASP N . 27740 1 257 . 1 . 1 55 55 ILE C C 13 177.883 0.000 . 1 . . . . . 130 ILE C . 27740 1 258 . 1 . 1 55 55 ILE CA C 13 63.348 0.042 . 1 . . . . . 130 ILE CA . 27740 1 259 . 1 . 1 55 55 ILE CB C 13 38.498 0.047 . 1 . . . . . 130 ILE CB . 27740 1 260 . 1 . 1 55 55 ILE H H 1 8.362 0.002 . 1 . . . . . 130 ILE H . 27740 1 261 . 1 . 1 55 55 ILE N N 15 127.938 0.012 . 1 . . . . . 130 ILE N . 27740 1 262 . 1 . 1 56 56 ASP C C 13 178.276 0.000 . 1 . . . . . 131 ASP C . 27740 1 263 . 1 . 1 56 56 ASP CA C 13 53.902 0.033 . 1 . . . . . 131 ASP CA . 27740 1 264 . 1 . 1 56 56 ASP CB C 13 39.959 0.037 . 1 . . . . . 131 ASP CB . 27740 1 265 . 1 . 1 56 56 ASP H H 1 8.329 0.001 . 1 . . . . . 131 ASP H . 27740 1 266 . 1 . 1 56 56 ASP N N 15 116.661 0.008 . 1 . . . . . 131 ASP N . 27740 1 267 . 1 . 1 57 57 GLY C C 13 175.294 0.000 . 1 . . . . . 132 GLY C . 27740 1 268 . 1 . 1 57 57 GLY CA C 13 47.542 0.004 . 1 . . . . . 132 GLY CA . 27740 1 269 . 1 . 1 57 57 GLY H H 1 7.603 0.002 . 1 . . . . . 132 GLY H . 27740 1 270 . 1 . 1 57 57 GLY N N 15 108.618 0.011 . 1 . . . . . 132 GLY N . 27740 1 271 . 1 . 1 58 58 ASP C C 13 177.573 0.000 . 1 . . . . . 133 ASP C . 27740 1 272 . 1 . 1 58 58 ASP CA C 13 53.729 0.025 . 1 . . . . . 133 ASP CA . 27740 1 273 . 1 . 1 58 58 ASP CB C 13 40.188 0.029 . 1 . . . . . 133 ASP CB . 27740 1 274 . 1 . 1 58 58 ASP H H 1 8.344 0.001 . 1 . . . . . 133 ASP H . 27740 1 275 . 1 . 1 58 58 ASP N N 15 120.931 0.006 . 1 . . . . . 133 ASP N . 27740 1 276 . 1 . 1 59 59 GLY C C 13 172.810 0.000 . 1 . . . . . 134 GLY C . 27740 1 277 . 1 . 1 59 59 GLY CA C 13 45.785 0.023 . 1 . . . . . 134 GLY CA . 27740 1 278 . 1 . 1 59 59 GLY H H 1 10.362 0.002 . 1 . . . . . 134 GLY H . 27740 1 279 . 1 . 1 59 59 GLY N N 15 112.939 0.009 . 1 . . . . . 134 GLY N . 27740 1 280 . 1 . 1 60 60 GLN C C 13 174.694 0.000 . 1 . . . . . 135 GLN C . 27740 1 281 . 1 . 1 60 60 GLN CA C 13 53.232 0.009 . 1 . . . . . 135 GLN CA . 27740 1 282 . 1 . 1 60 60 GLN CB C 13 32.476 0.011 . 1 . . . . . 135 GLN CB . 27740 1 283 . 1 . 1 60 60 GLN H H 1 7.990 0.002 . 1 . . . . . 135 GLN H . 27740 1 284 . 1 . 1 60 60 GLN N N 15 115.523 0.006 . 1 . . . . . 135 GLN N . 27740 1 285 . 1 . 1 61 61 VAL C C 13 175.810 0.000 . 1 . . . . . 136 VAL C . 27740 1 286 . 1 . 1 61 61 VAL CA C 13 61.740 0.023 . 1 . . . . . 136 VAL CA . 27740 1 287 . 1 . 1 61 61 VAL CB C 13 33.893 0.038 . 1 . . . . . 136 VAL CB . 27740 1 288 . 1 . 1 61 61 VAL H H 1 9.178 0.002 . 1 . . . . . 136 VAL H . 27740 1 289 . 1 . 1 61 61 VAL N N 15 125.493 0.009 . 1 . . . . . 136 VAL N . 27740 1 290 . 1 . 1 62 62 ASN C C 13 174.939 0.000 . 1 . . . . . 137 ASN C . 27740 1 291 . 1 . 1 62 62 ASN CA C 13 51.099 0.028 . 1 . . . . . 137 ASN CA . 27740 1 292 . 1 . 1 62 62 ASN CB C 13 38.363 0.076 . 1 . . . . . 137 ASN CB . 27740 1 293 . 1 . 1 62 62 ASN H H 1 9.481 0.002 . 1 . . . . . 137 ASN H . 27740 1 294 . 1 . 1 62 62 ASN N N 15 129.095 0.008 . 1 . . . . . 137 ASN N . 27740 1 295 . 1 . 1 63 63 TYR C C 13 176.068 0.000 . 1 . . . . . 138 TYR C . 27740 1 296 . 1 . 1 63 63 TYR CA C 13 62.722 0.015 . 1 . . . . . 138 TYR CA . 27740 1 297 . 1 . 1 63 63 TYR CB C 13 37.616 0.078 . 1 . . . . . 138 TYR CB . 27740 1 298 . 1 . 1 63 63 TYR H H 1 8.467 0.002 . 1 . . . . . 138 TYR H . 27740 1 299 . 1 . 1 63 63 TYR N N 15 118.667 0.016 . 1 . . . . . 138 TYR N . 27740 1 300 . 1 . 1 64 64 GLU C C 13 180.599 0.000 . 1 . . . . . 139 GLU C . 27740 1 301 . 1 . 1 64 64 GLU CA C 13 60.424 0.037 . 1 . . . . . 139 GLU CA . 27740 1 302 . 1 . 1 64 64 GLU CB C 13 28.937 0.056 . 1 . . . . . 139 GLU CB . 27740 1 303 . 1 . 1 64 64 GLU H H 1 8.115 0.002 . 1 . . . . . 139 GLU H . 27740 1 304 . 1 . 1 64 64 GLU N N 15 118.493 0.011 . 1 . . . . . 139 GLU N . 27740 1 305 . 1 . 1 65 65 GLU C C 13 179.532 0.000 . 1 . . . . . 140 GLU C . 27740 1 306 . 1 . 1 65 65 GLU CA C 13 58.391 0.068 . 1 . . . . . 140 GLU CA . 27740 1 307 . 1 . 1 65 65 GLU CB C 13 29.826 0.080 . 1 . . . . . 140 GLU CB . 27740 1 308 . 1 . 1 65 65 GLU H H 1 8.761 0.001 . 1 . . . . . 140 GLU H . 27740 1 309 . 1 . 1 65 65 GLU N N 15 119.809 0.008 . 1 . . . . . 140 GLU N . 27740 1 310 . 1 . 1 66 66 PHE C C 13 176.702 0.000 . 1 . . . . . 141 PHE C . 27740 1 311 . 1 . 1 66 66 PHE CA C 13 61.776 0.032 . 1 . . . . . 141 PHE CA . 27740 1 312 . 1 . 1 66 66 PHE CB C 13 39.994 0.062 . 1 . . . . . 141 PHE CB . 27740 1 313 . 1 . 1 66 66 PHE H H 1 8.917 0.003 . 1 . . . . . 141 PHE H . 27740 1 314 . 1 . 1 66 66 PHE N N 15 124.928 0.006 . 1 . . . . . 141 PHE N . 27740 1 315 . 1 . 1 67 67 VAL C C 13 179.472 0.000 . 1 . . . . . 142 VAL C . 27740 1 316 . 1 . 1 67 67 VAL CA C 13 67.080 0.030 . 1 . . . . . 142 VAL CA . 27740 1 317 . 1 . 1 67 67 VAL CB C 13 31.620 0.019 . 1 . . . . . 142 VAL CB . 27740 1 318 . 1 . 1 67 67 VAL H H 1 8.642 0.002 . 1 . . . . . 142 VAL H . 27740 1 319 . 1 . 1 67 67 VAL N N 15 119.631 0.010 . 1 . . . . . 142 VAL N . 27740 1 320 . 1 . 1 68 68 GLN C C 13 177.811 0.000 . 1 . . . . . 143 GLN C . 27740 1 321 . 1 . 1 68 68 GLN CA C 13 58.888 0.022 . 1 . . . . . 143 GLN CA . 27740 1 322 . 1 . 1 68 68 GLN CB C 13 28.032 0.028 . 1 . . . . . 143 GLN CB . 27740 1 323 . 1 . 1 68 68 GLN H H 1 7.353 0.003 . 1 . . . . . 143 GLN H . 27740 1 324 . 1 . 1 68 68 GLN N N 15 118.068 0.009 . 1 . . . . . 143 GLN N . 27740 1 325 . 1 . 1 69 69 MET C C 13 177.492 0.000 . 1 . . . . . 144 MET C . 27740 1 326 . 1 . 1 69 69 MET CA C 13 58.470 0.076 . 1 . . . . . 144 MET CA . 27740 1 327 . 1 . 1 69 69 MET CB C 13 33.125 0.008 . 1 . . . . . 144 MET CB . 27740 1 328 . 1 . 1 69 69 MET H H 1 7.726 0.003 . 1 . . . . . 144 MET H . 27740 1 329 . 1 . 1 69 69 MET N N 15 119.482 0.005 . 1 . . . . . 144 MET N . 27740 1 330 . 1 . 1 70 70 MET C C 13 176.913 0.000 . 1 . . . . . 145 MET C . 27740 1 331 . 1 . 1 70 70 MET CA C 13 55.578 0.033 . 1 . . . . . 145 MET CA . 27740 1 332 . 1 . 1 70 70 MET CB C 13 31.809 0.024 . 1 . . . . . 145 MET CB . 27740 1 333 . 1 . 1 70 70 MET H H 1 7.851 0.002 . 1 . . . . . 145 MET H . 27740 1 334 . 1 . 1 70 70 MET N N 15 114.146 0.011 . 1 . . . . . 145 MET N . 27740 1 335 . 1 . 1 71 71 THR C C 13 174.109 0.000 . 1 . . . . . 146 THR C . 27740 1 336 . 1 . 1 71 71 THR CA C 13 61.951 0.051 . 1 . . . . . 146 THR CA . 27740 1 337 . 1 . 1 71 71 THR CB C 13 70.299 0.045 . 1 . . . . . 146 THR CB . 27740 1 338 . 1 . 1 71 71 THR H H 1 7.447 0.006 . 1 . . . . . 146 THR H . 27740 1 339 . 1 . 1 71 71 THR N N 15 109.604 0.013 . 1 . . . . . 146 THR N . 27740 1 340 . 1 . 1 72 72 ALA C C 13 176.451 0.000 . 1 . . . . . 147 ALA C . 27740 1 341 . 1 . 1 72 72 ALA CA C 13 53.103 0.033 . 1 . . . . . 147 ALA CA . 27740 1 342 . 1 . 1 72 72 ALA CB C 13 18.980 0.037 . 1 . . . . . 147 ALA CB . 27740 1 343 . 1 . 1 72 72 ALA H H 1 7.625 0.002 . 1 . . . . . 147 ALA H . 27740 1 344 . 1 . 1 72 72 ALA N N 15 127.455 0.010 . 1 . . . . . 147 ALA N . 27740 1 345 . 1 . 1 73 73 LYS CA C 13 57.396 0.000 . 1 . . . . . 148 LYS CA . 27740 1 346 . 1 . 1 73 73 LYS CB C 13 34.072 0.000 . 1 . . . . . 148 LYS CB . 27740 1 347 . 1 . 1 73 73 LYS H H 1 7.883 0.001 . 1 . . . . . 148 LYS H . 27740 1 348 . 1 . 1 73 73 LYS N N 15 125.875 0.008 . 1 . . . . . 148 LYS N . 27740 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27740 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27740 2 2 '3D HNCO' . . . 27740 2 3 '3D HNCACB' . . . 27740 2 4 '3D CBCA(CO)NH' . . . 27740 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27740 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 2 2 PRO C C 13 177.457 0.000 . 1 . . . . . -3 PRO C . 27740 2 2 . 2 . 2 2 2 PRO CA C 13 63.498 0.004 . 1 . . . . . -3 PRO CA . 27740 2 3 . 2 . 2 2 2 PRO CB C 13 32.186 0.008 . 1 . . . . . -3 PRO CB . 27740 2 4 . 2 . 2 3 3 GLY C C 13 174.238 0.000 . 1 . . . . . -2 GLY C . 27740 2 5 . 2 . 2 3 3 GLY CA C 13 45.316 0.000 . 1 . . . . . -2 GLY CA . 27740 2 6 . 2 . 2 3 3 GLY H H 1 8.655 0.002 . 1 . . . . . -2 GLY H . 27740 2 7 . 2 . 2 3 3 GLY N N 15 109.913 0.023 . 1 . . . . . -2 GLY N . 27740 2 8 . 2 . 2 4 4 SER C C 13 174.561 0.000 . 1 . . . . . -1 SER C . 27740 2 9 . 2 . 2 4 4 SER CA C 13 58.464 0.000 . 1 . . . . . -1 SER CA . 27740 2 10 . 2 . 2 4 4 SER CB C 13 63.838 0.000 . 1 . . . . . -1 SER CB . 27740 2 11 . 2 . 2 4 4 SER H H 1 8.157 0.001 . 1 . . . . . -1 SER H . 27740 2 12 . 2 . 2 4 4 SER N N 15 115.797 0.015 . 1 . . . . . -1 SER N . 27740 2 13 . 2 . 2 5 5 LYS C C 13 176.553 0.000 . 1 . . . . . 1901 LYS C . 27740 2 14 . 2 . 2 5 5 LYS CA C 13 56.442 0.000 . 1 . . . . . 1901 LYS CA . 27740 2 15 . 2 . 2 5 5 LYS CB C 13 33.046 0.000 . 1 . . . . . 1901 LYS CB . 27740 2 16 . 2 . 2 5 5 LYS H H 1 8.421 0.001 . 1 . . . . . 1901 LYS H . 27740 2 17 . 2 . 2 5 5 LYS N N 15 123.504 0.007 . 1 . . . . . 1901 LYS N . 27740 2 18 . 2 . 2 6 6 ARG C C 13 176.346 0.000 . 1 . . . . . 1902 ARG C . 27740 2 19 . 2 . 2 6 6 ARG CA C 13 56.305 0.000 . 1 . . . . . 1902 ARG CA . 27740 2 20 . 2 . 2 6 6 ARG CB C 13 33.042 0.000 . 1 . . . . . 1902 ARG CB . 27740 2 21 . 2 . 2 6 6 ARG H H 1 8.361 0.001 . 1 . . . . . 1902 ARG H . 27740 2 22 . 2 . 2 6 6 ARG N N 15 122.684 0.006 . 1 . . . . . 1902 ARG N . 27740 2 23 . 2 . 2 7 7 LYS C C 13 176.824 0.000 . 1 . . . . . 1903 LYS C . 27740 2 24 . 2 . 2 7 7 LYS CA C 13 56.671 0.010 . 1 . . . . . 1903 LYS CA . 27740 2 25 . 2 . 2 7 7 LYS CB C 13 32.911 0.034 . 1 . . . . . 1903 LYS CB . 27740 2 26 . 2 . 2 7 7 LYS H H 1 8.516 0.003 . 1 . . . . . 1903 LYS H . 27740 2 27 . 2 . 2 7 7 LYS N N 15 123.329 0.023 . 1 . . . . . 1903 LYS N . 27740 2 28 . 2 . 2 8 8 GLN C C 13 176.084 0.000 . 1 . . . . . 1904 GLN C . 27740 2 29 . 2 . 2 8 8 GLN CA C 13 56.659 0.032 . 1 . . . . . 1904 GLN CA . 27740 2 30 . 2 . 2 8 8 GLN CB C 13 29.282 0.019 . 1 . . . . . 1904 GLN CB . 27740 2 31 . 2 . 2 8 8 GLN H H 1 8.519 0.001 . 1 . . . . . 1904 GLN H . 27740 2 32 . 2 . 2 8 8 GLN N N 15 121.750 0.010 . 1 . . . . . 1904 GLN N . 27740 2 33 . 2 . 2 9 9 GLU C C 13 176.689 0.000 . 1 . . . . . 1905 GLU C . 27740 2 34 . 2 . 2 9 9 GLU CA C 13 57.332 0.012 . 1 . . . . . 1905 GLU CA . 27740 2 35 . 2 . 2 9 9 GLU CB C 13 30.060 0.022 . 1 . . . . . 1905 GLU CB . 27740 2 36 . 2 . 2 9 9 GLU H H 1 8.607 0.002 . 1 . . . . . 1905 GLU H . 27740 2 37 . 2 . 2 9 9 GLU N N 15 121.017 0.010 . 1 . . . . . 1905 GLU N . 27740 2 38 . 2 . 2 10 10 GLU C C 13 178.016 0.000 . 1 . . . . . 1906 GLU C . 27740 2 39 . 2 . 2 10 10 GLU CA C 13 56.252 0.030 . 1 . . . . . 1906 GLU CA . 27740 2 40 . 2 . 2 10 10 GLU CB C 13 30.938 0.000 . 1 . . . . . 1906 GLU CB . 27740 2 41 . 2 . 2 10 10 GLU H H 1 8.161 0.001 . 1 . . . . . 1906 GLU H . 27740 2 42 . 2 . 2 10 10 GLU N N 15 120.581 0.010 . 1 . . . . . 1906 GLU N . 27740 2 43 . 2 . 2 11 11 VAL CA C 13 65.018 0.000 . 1 . . . . . 1907 VAL CA . 27740 2 44 . 2 . 2 11 11 VAL H H 1 8.054 0.005 . 1 . . . . . 1907 VAL H . 27740 2 45 . 2 . 2 11 11 VAL N N 15 119.217 0.014 . 1 . . . . . 1907 VAL N . 27740 2 46 . 2 . 2 12 12 SER C C 13 176.343 0.000 . 1 . . . . . 1908 SER C . 27740 2 47 . 2 . 2 12 12 SER CA C 13 62.185 0.000 . 1 . . . . . 1908 SER CA . 27740 2 48 . 2 . 2 12 12 SER CB C 13 63.196 0.000 . 1 . . . . . 1908 SER CB . 27740 2 49 . 2 . 2 13 13 ALA C C 13 179.221 0.000 . 1 . . . . . 1909 ALA C . 27740 2 50 . 2 . 2 13 13 ALA CA C 13 55.504 0.004 . 1 . . . . . 1909 ALA CA . 27740 2 51 . 2 . 2 13 13 ALA CB C 13 19.130 0.133 . 1 . . . . . 1909 ALA CB . 27740 2 52 . 2 . 2 13 13 ALA H H 1 8.373 0.011 . 1 . . . . . 1909 ALA H . 27740 2 53 . 2 . 2 13 13 ALA N N 15 121.836 0.043 . 1 . . . . . 1909 ALA N . 27740 2 54 . 2 . 2 14 14 ILE C C 13 178.392 0.000 . 1 . . . . . 1910 ILE C . 27740 2 55 . 2 . 2 14 14 ILE CA C 13 63.404 0.000 . 1 . . . . . 1910 ILE CA . 27740 2 56 . 2 . 2 14 14 ILE H H 1 7.282 0.005 . 1 . . . . . 1910 ILE H . 27740 2 57 . 2 . 2 14 14 ILE N N 15 116.177 0.010 . 1 . . . . . 1910 ILE N . 27740 2 58 . 2 . 2 15 15 ILE CA C 13 65.170 0.000 . 1 . . . . . 1911 ILE CA . 27740 2 59 . 2 . 2 15 15 ILE CB C 13 38.309 0.000 . 1 . . . . . 1911 ILE CB . 27740 2 60 . 2 . 2 15 15 ILE H H 1 7.493 0.003 . 1 . . . . . 1911 ILE H . 27740 2 61 . 2 . 2 15 15 ILE N N 15 120.913 0.052 . 1 . . . . . 1911 ILE N . 27740 2 62 . 2 . 2 16 16 ILE C C 13 177.630 0.000 . 1 . . . . . 1912 ILE C . 27740 2 63 . 2 . 2 16 16 ILE CA C 13 65.075 0.000 . 1 . . . . . 1912 ILE CA . 27740 2 64 . 2 . 2 17 17 GLN C C 13 178.613 0.000 . 1 . . . . . 1913 GLN C . 27740 2 65 . 2 . 2 17 17 GLN CA C 13 59.757 0.000 . 1 . . . . . 1913 GLN CA . 27740 2 66 . 2 . 2 17 17 GLN CB C 13 28.796 0.046 . 1 . . . . . 1913 GLN CB . 27740 2 67 . 2 . 2 17 17 GLN H H 1 8.144 0.011 . 1 . . . . . 1913 GLN H . 27740 2 68 . 2 . 2 17 17 GLN N N 15 118.042 0.018 . 1 . . . . . 1913 GLN N . 27740 2 69 . 2 . 2 18 18 ARG C C 13 178.904 0.000 . 1 . . . . . 1914 ARG C . 27740 2 70 . 2 . 2 18 18 ARG CA C 13 59.728 0.000 . 1 . . . . . 1914 ARG CA . 27740 2 71 . 2 . 2 18 18 ARG CB C 13 30.306 0.000 . 1 . . . . . 1914 ARG CB . 27740 2 72 . 2 . 2 18 18 ARG H H 1 8.261 0.003 . 1 . . . . . 1914 ARG H . 27740 2 73 . 2 . 2 18 18 ARG N N 15 119.452 0.015 . 1 . . . . . 1914 ARG N . 27740 2 74 . 2 . 2 19 19 ALA C C 13 179.531 0.000 . 1 . . . . . 1915 ALA C . 27740 2 75 . 2 . 2 19 19 ALA CA C 13 55.295 0.000 . 1 . . . . . 1915 ALA CA . 27740 2 76 . 2 . 2 19 19 ALA CB C 13 18.773 0.002 . 1 . . . . . 1915 ALA CB . 27740 2 77 . 2 . 2 19 19 ALA H H 1 8.302 0.003 . 1 . . . . . 1915 ALA H . 27740 2 78 . 2 . 2 19 19 ALA N N 15 122.993 0.011 . 1 . . . . . 1915 ALA N . 27740 2 79 . 2 . 2 20 20 TYR C C 13 177.050 0.000 . 1 . . . . . 1916 TYR C . 27740 2 80 . 2 . 2 20 20 TYR CA C 13 61.504 0.032 . 1 . . . . . 1916 TYR CA . 27740 2 81 . 2 . 2 20 20 TYR CB C 13 38.468 0.015 . 1 . . . . . 1916 TYR CB . 27740 2 82 . 2 . 2 20 20 TYR H H 1 8.970 0.005 . 1 . . . . . 1916 TYR H . 27740 2 83 . 2 . 2 20 20 TYR N N 15 118.775 0.034 . 1 . . . . . 1916 TYR N . 27740 2 84 . 2 . 2 21 21 ARG C C 13 179.152 0.000 . 1 . . . . . 1917 ARG C . 27740 2 85 . 2 . 2 21 21 ARG CA C 13 59.839 0.000 . 1 . . . . . 1917 ARG CA . 27740 2 86 . 2 . 2 21 21 ARG CB C 13 29.486 0.000 . 1 . . . . . 1917 ARG CB . 27740 2 87 . 2 . 2 21 21 ARG H H 1 8.420 0.004 . 1 . . . . . 1917 ARG H . 27740 2 88 . 2 . 2 21 21 ARG N N 15 118.189 0.020 . 1 . . . . . 1917 ARG N . 27740 2 89 . 2 . 2 22 22 ARG C C 13 178.801 0.000 . 1 . . . . . 1918 ARG C . 27740 2 90 . 2 . 2 22 22 ARG CA C 13 59.814 0.016 . 1 . . . . . 1918 ARG CA . 27740 2 91 . 2 . 2 22 22 ARG CB C 13 29.601 0.031 . 1 . . . . . 1918 ARG CB . 27740 2 92 . 2 . 2 22 22 ARG H H 1 7.907 0.002 . 1 . . . . . 1918 ARG H . 27740 2 93 . 2 . 2 22 22 ARG N N 15 119.201 0.006 . 1 . . . . . 1918 ARG N . 27740 2 94 . 2 . 2 23 23 TYR C C 13 177.550 0.000 . 1 . . . . . 1919 TYR C . 27740 2 95 . 2 . 2 23 23 TYR CA C 13 61.391 0.063 . 1 . . . . . 1919 TYR CA . 27740 2 96 . 2 . 2 23 23 TYR CB C 13 37.513 0.021 . 1 . . . . . 1919 TYR CB . 27740 2 97 . 2 . 2 23 23 TYR H H 1 8.073 0.003 . 1 . . . . . 1919 TYR H . 27740 2 98 . 2 . 2 23 23 TYR N N 15 122.023 0.011 . 1 . . . . . 1919 TYR N . 27740 2 99 . 2 . 2 24 24 LEU C C 13 179.919 0.000 . 1 . . . . . 1920 LEU C . 27740 2 100 . 2 . 2 24 24 LEU CA C 13 57.443 0.044 . 1 . . . . . 1920 LEU CA . 27740 2 101 . 2 . 2 24 24 LEU CB C 13 37.532 0.000 . 1 . . . . . 1920 LEU CB . 27740 2 102 . 2 . 2 24 24 LEU H H 1 8.112 0.003 . 1 . . . . . 1920 LEU H . 27740 2 103 . 2 . 2 24 24 LEU N N 15 119.539 0.027 . 1 . . . . . 1920 LEU N . 27740 2 104 . 2 . 2 25 25 LEU C C 13 179.029 0.000 . 1 . . . . . 1921 LEU C . 27740 2 105 . 2 . 2 25 25 LEU CA C 13 57.252 0.006 . 1 . . . . . 1921 LEU CA . 27740 2 106 . 2 . 2 25 25 LEU CB C 13 42.040 0.064 . 1 . . . . . 1921 LEU CB . 27740 2 107 . 2 . 2 25 25 LEU H H 1 7.669 0.001 . 1 . . . . . 1921 LEU H . 27740 2 108 . 2 . 2 25 25 LEU N N 15 118.843 0.012 . 1 . . . . . 1921 LEU N . 27740 2 109 . 2 . 2 26 26 LYS C C 13 177.670 0.000 . 1 . . . . . 1922 LYS C . 27740 2 110 . 2 . 2 26 26 LYS CA C 13 57.700 0.047 . 1 . . . . . 1922 LYS CA . 27740 2 111 . 2 . 2 26 26 LYS CB C 13 32.374 0.054 . 1 . . . . . 1922 LYS CB . 27740 2 112 . 2 . 2 26 26 LYS H H 1 7.622 0.004 . 1 . . . . . 1922 LYS H . 27740 2 113 . 2 . 2 26 26 LYS N N 15 118.292 0.011 . 1 . . . . . 1922 LYS N . 27740 2 114 . 2 . 2 27 27 GLN C C 13 176.520 0.000 . 1 . . . . . 1923 GLN C . 27740 2 115 . 2 . 2 27 27 GLN CA C 13 57.766 0.000 . 1 . . . . . 1923 GLN CA . 27740 2 116 . 2 . 2 27 27 GLN CB C 13 28.989 0.026 . 1 . . . . . 1923 GLN CB . 27740 2 117 . 2 . 2 27 27 GLN H H 1 7.630 0.002 . 1 . . . . . 1923 GLN H . 27740 2 118 . 2 . 2 27 27 GLN N N 15 117.204 0.016 . 1 . . . . . 1923 GLN N . 27740 2 119 . 2 . 2 28 28 LYS C C 13 176.573 0.000 . 1 . . . . . 1924 LYS C . 27740 2 120 . 2 . 2 28 28 LYS CA C 13 56.733 0.016 . 1 . . . . . 1924 LYS CA . 27740 2 121 . 2 . 2 28 28 LYS CB C 13 32.723 0.016 . 1 . . . . . 1924 LYS CB . 27740 2 122 . 2 . 2 28 28 LYS H H 1 7.741 0.001 . 1 . . . . . 1924 LYS H . 27740 2 123 . 2 . 2 28 28 LYS N N 15 119.841 0.014 . 1 . . . . . 1924 LYS N . 27740 2 124 . 2 . 2 29 29 VAL C C 13 175.796 0.000 . 1 . . . . . 1925 VAL C . 27740 2 125 . 2 . 2 29 29 VAL CA C 13 62.443 0.010 . 1 . . . . . 1925 VAL CA . 27740 2 126 . 2 . 2 29 29 VAL CB C 13 32.625 0.039 . 1 . . . . . 1925 VAL CB . 27740 2 127 . 2 . 2 29 29 VAL H H 1 7.780 0.002 . 1 . . . . . 1925 VAL H . 27740 2 128 . 2 . 2 29 29 VAL N N 15 119.850 0.040 . 1 . . . . . 1925 VAL N . 27740 2 129 . 2 . 2 30 30 LYS C C 13 175.347 0.000 . 1 . . . . . 1926 LYS C . 27740 2 130 . 2 . 2 30 30 LYS CA C 13 56.304 0.034 . 1 . . . . . 1926 LYS CA . 27740 2 131 . 2 . 2 30 30 LYS CB C 13 33.027 0.061 . 1 . . . . . 1926 LYS CB . 27740 2 132 . 2 . 2 30 30 LYS H H 1 8.215 0.002 . 1 . . . . . 1926 LYS H . 27740 2 133 . 2 . 2 30 30 LYS N N 15 125.867 0.028 . 1 . . . . . 1926 LYS N . 27740 2 134 . 2 . 2 31 31 LYS CA C 13 57.760 0.000 . 1 . . . . . 1927 LYS CA . 27740 2 135 . 2 . 2 31 31 LYS CB C 13 33.816 0.000 . 1 . . . . . 1927 LYS CB . 27740 2 136 . 2 . 2 31 31 LYS H H 1 7.961 0.001 . 1 . . . . . 1927 LYS H . 27740 2 137 . 2 . 2 31 31 LYS N N 15 128.853 0.008 . 1 . . . . . 1927 LYS N . 27740 2 stop_ save_