data_27745 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27745 _Entry.Title ; Backbone chemical shift assignments of the calcium-saturated human calmodulin bound to the human NaV1.2 IQ motif peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-28 _Entry.Accession_date 2018-12-28 _Entry.Last_release_date 2019-01-02 _Entry.Original_release_date 2019-01-02 _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 . . . . 27745 2 Madeline Shea . A. . . 27745 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27745 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 27745 '15N chemical shifts' 153 27745 '1H chemical shifts' 153 27745 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 2018-12-28 update BMRB 'update entry citation' 27745 1 . . 2021-07-21 2018-12-28 original author 'original release' 27745 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27740 'calcium-saturated human calmodulin C-domain bound to the human NaV1.2 IQ motif peptide' 27745 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27745 _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. . . . 27745 1 2 Liam Hovey L. . . . 27745 1 3 Holly Isbell H. M. . . 27745 1 4 Dagan Marx D. C. . . 27745 1 5 Mark Miller M. S. . . 27745 1 6 Adina Kilpatrick A. M. . . 27745 1 7 Lisa Weaver L. D. . . 27745 1 8 Jesse Yoder J. B. . . 27745 1 9 Elaine Kim E. H. . . 27745 1 10 Corinne Andresen . . . . 27745 1 11 Shuxiang Li S. . . . 27745 1 12 Madeline Shea M. A. . . 27745 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27745 _Assembly.ID 1 _Assembly.Name 'CaM NaV1.2 IQ motif' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 1 $Calmodulin A . yes native no no . . . 27745 1 2 'Nav1.2 IQ Motif Peptide' 2 $voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide B . yes native no no . . . 27745 1 3 'Calcium, 1' 3 $entity_CA C . no native no no . . . 27745 1 4 'Calcium, 2' 3 $entity_CA D . no native no no . . . 27745 1 5 'Calcium, 3' 3 $entity_CA E . no native no no . . . 27745 1 6 'Calcium, 4' 3 $entity_CA F . no native no no . . . 27745 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' 27745 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' 27745 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' 27745 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' 27745 1 yes PDB 6BUT . . 'solution NMR' . 'Solution NMR Structure of apo calmodulin bound to the IQ motif NaV1.2' 'Solution NMR Structure of apo Calmodulin bound to the IQ motif NaV1.2' 27745 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 27745 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-148 of calmodulin' _Entity.Polymer_author_seq_details 'Initial Alanine is residue 1 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 148 _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 . . . . . . . . . . . . . . . . 27745 1 2 yes NCBI AAD45181.1 . . . . . . . . . . . . . . . . 27745 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 . ALA . 27745 1 2 . ASP . 27745 1 3 . GLN . 27745 1 4 . LEU . 27745 1 5 . THR . 27745 1 6 . GLU . 27745 1 7 . GLU . 27745 1 8 . GLN . 27745 1 9 . ILE . 27745 1 10 . ALA . 27745 1 11 . GLU . 27745 1 12 . PHE . 27745 1 13 . LYS . 27745 1 14 . GLU . 27745 1 15 . ALA . 27745 1 16 . PHE . 27745 1 17 . SER . 27745 1 18 . LEU . 27745 1 19 . PHE . 27745 1 20 . ASP . 27745 1 21 . LYS . 27745 1 22 . ASP . 27745 1 23 . GLY . 27745 1 24 . ASP . 27745 1 25 . GLY . 27745 1 26 . THR . 27745 1 27 . ILE . 27745 1 28 . THR . 27745 1 29 . THR . 27745 1 30 . LYS . 27745 1 31 . GLU . 27745 1 32 . LEU . 27745 1 33 . GLY . 27745 1 34 . THR . 27745 1 35 . VAL . 27745 1 36 . MET . 27745 1 37 . ARG . 27745 1 38 . SER . 27745 1 39 . LEU . 27745 1 40 . GLY . 27745 1 41 . GLN . 27745 1 42 . ASN . 27745 1 43 . PRO . 27745 1 44 . THR . 27745 1 45 . GLU . 27745 1 46 . ALA . 27745 1 47 . GLU . 27745 1 48 . LEU . 27745 1 49 . GLN . 27745 1 50 . ASP . 27745 1 51 . MET . 27745 1 52 . ILE . 27745 1 53 . ASN . 27745 1 54 . GLU . 27745 1 55 . VAL . 27745 1 56 . ASP . 27745 1 57 . ALA . 27745 1 58 . ASP . 27745 1 59 . GLY . 27745 1 60 . ASN . 27745 1 61 . GLY . 27745 1 62 . THR . 27745 1 63 . ILE . 27745 1 64 . ASP . 27745 1 65 . PHE . 27745 1 66 . PRO . 27745 1 67 . GLU . 27745 1 68 . PHE . 27745 1 69 . LEU . 27745 1 70 . THR . 27745 1 71 . MET . 27745 1 72 . MET . 27745 1 73 . ALA . 27745 1 74 . ARG . 27745 1 75 . LYS . 27745 1 76 . MET . 27745 1 77 . LYS . 27745 1 78 . ASP . 27745 1 79 . THR . 27745 1 80 . ASP . 27745 1 81 . SER . 27745 1 82 . GLU . 27745 1 83 . GLU . 27745 1 84 . GLU . 27745 1 85 . ILE . 27745 1 86 . ARG . 27745 1 87 . GLU . 27745 1 88 . ALA . 27745 1 89 . PHE . 27745 1 90 . ARG . 27745 1 91 . VAL . 27745 1 92 . PHE . 27745 1 93 . ASP . 27745 1 94 . LYS . 27745 1 95 . ASP . 27745 1 96 . GLY . 27745 1 97 . ASN . 27745 1 98 . GLY . 27745 1 99 . TYR . 27745 1 100 . ILE . 27745 1 101 . SER . 27745 1 102 . ALA . 27745 1 103 . ALA . 27745 1 104 . GLU . 27745 1 105 . LEU . 27745 1 106 . ARG . 27745 1 107 . HIS . 27745 1 108 . VAL . 27745 1 109 . MET . 27745 1 110 . THR . 27745 1 111 . ASN . 27745 1 112 . LEU . 27745 1 113 . GLY . 27745 1 114 . GLU . 27745 1 115 . LYS . 27745 1 116 . LEU . 27745 1 117 . THR . 27745 1 118 . ASP . 27745 1 119 . GLU . 27745 1 120 . GLU . 27745 1 121 . VAL . 27745 1 122 . ASP . 27745 1 123 . GLU . 27745 1 124 . MET . 27745 1 125 . ILE . 27745 1 126 . ARG . 27745 1 127 . GLU . 27745 1 128 . ALA . 27745 1 129 . ASP . 27745 1 130 . ILE . 27745 1 131 . ASP . 27745 1 132 . GLY . 27745 1 133 . ASP . 27745 1 134 . GLY . 27745 1 135 . GLN . 27745 1 136 . VAL . 27745 1 137 . ASN . 27745 1 138 . TYR . 27745 1 139 . GLU . 27745 1 140 . GLU . 27745 1 141 . PHE . 27745 1 142 . VAL . 27745 1 143 . GLN . 27745 1 144 . MET . 27745 1 145 . MET . 27745 1 146 . THR . 27745 1 147 . ALA . 27745 1 148 . LYS . 27745 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 . ALA 1 1 27745 1 . ASP 2 2 27745 1 . GLN 3 3 27745 1 . LEU 4 4 27745 1 . THR 5 5 27745 1 . GLU 6 6 27745 1 . GLU 7 7 27745 1 . GLN 8 8 27745 1 . ILE 9 9 27745 1 . ALA 10 10 27745 1 . GLU 11 11 27745 1 . PHE 12 12 27745 1 . LYS 13 13 27745 1 . GLU 14 14 27745 1 . ALA 15 15 27745 1 . PHE 16 16 27745 1 . SER 17 17 27745 1 . LEU 18 18 27745 1 . PHE 19 19 27745 1 . ASP 20 20 27745 1 . LYS 21 21 27745 1 . ASP 22 22 27745 1 . GLY 23 23 27745 1 . ASP 24 24 27745 1 . GLY 25 25 27745 1 . THR 26 26 27745 1 . ILE 27 27 27745 1 . THR 28 28 27745 1 . THR 29 29 27745 1 . LYS 30 30 27745 1 . GLU 31 31 27745 1 . LEU 32 32 27745 1 . GLY 33 33 27745 1 . THR 34 34 27745 1 . VAL 35 35 27745 1 . MET 36 36 27745 1 . ARG 37 37 27745 1 . SER 38 38 27745 1 . LEU 39 39 27745 1 . GLY 40 40 27745 1 . GLN 41 41 27745 1 . ASN 42 42 27745 1 . PRO 43 43 27745 1 . THR 44 44 27745 1 . GLU 45 45 27745 1 . ALA 46 46 27745 1 . GLU 47 47 27745 1 . LEU 48 48 27745 1 . GLN 49 49 27745 1 . ASP 50 50 27745 1 . MET 51 51 27745 1 . ILE 52 52 27745 1 . ASN 53 53 27745 1 . GLU 54 54 27745 1 . VAL 55 55 27745 1 . ASP 56 56 27745 1 . ALA 57 57 27745 1 . ASP 58 58 27745 1 . GLY 59 59 27745 1 . ASN 60 60 27745 1 . GLY 61 61 27745 1 . THR 62 62 27745 1 . ILE 63 63 27745 1 . ASP 64 64 27745 1 . PHE 65 65 27745 1 . PRO 66 66 27745 1 . GLU 67 67 27745 1 . PHE 68 68 27745 1 . LEU 69 69 27745 1 . THR 70 70 27745 1 . MET 71 71 27745 1 . MET 72 72 27745 1 . ALA 73 73 27745 1 . ARG 74 74 27745 1 . LYS 75 75 27745 1 . MET 76 76 27745 1 . LYS 77 77 27745 1 . ASP 78 78 27745 1 . THR 79 79 27745 1 . ASP 80 80 27745 1 . SER 81 81 27745 1 . GLU 82 82 27745 1 . GLU 83 83 27745 1 . GLU 84 84 27745 1 . ILE 85 85 27745 1 . ARG 86 86 27745 1 . GLU 87 87 27745 1 . ALA 88 88 27745 1 . PHE 89 89 27745 1 . ARG 90 90 27745 1 . VAL 91 91 27745 1 . PHE 92 92 27745 1 . ASP 93 93 27745 1 . LYS 94 94 27745 1 . ASP 95 95 27745 1 . GLY 96 96 27745 1 . ASN 97 97 27745 1 . GLY 98 98 27745 1 . TYR 99 99 27745 1 . ILE 100 100 27745 1 . SER 101 101 27745 1 . ALA 102 102 27745 1 . ALA 103 103 27745 1 . GLU 104 104 27745 1 . LEU 105 105 27745 1 . ARG 106 106 27745 1 . HIS 107 107 27745 1 . VAL 108 108 27745 1 . MET 109 109 27745 1 . THR 110 110 27745 1 . ASN 111 111 27745 1 . LEU 112 112 27745 1 . GLY 113 113 27745 1 . GLU 114 114 27745 1 . LYS 115 115 27745 1 . LEU 116 116 27745 1 . THR 117 117 27745 1 . ASP 118 118 27745 1 . GLU 119 119 27745 1 . GLU 120 120 27745 1 . VAL 121 121 27745 1 . ASP 122 122 27745 1 . GLU 123 123 27745 1 . MET 124 124 27745 1 . ILE 125 125 27745 1 . ARG 126 126 27745 1 . GLU 127 127 27745 1 . ALA 128 128 27745 1 . ASP 129 129 27745 1 . ILE 130 130 27745 1 . ASP 131 131 27745 1 . GLY 132 132 27745 1 . ASP 133 133 27745 1 . GLY 134 134 27745 1 . GLN 135 135 27745 1 . VAL 136 136 27745 1 . ASN 137 137 27745 1 . TYR 138 138 27745 1 . GLU 139 139 27745 1 . GLU 140 140 27745 1 . PHE 141 141 27745 1 . VAL 142 142 27745 1 . GLN 143 143 27745 1 . MET 144 144 27745 1 . MET 145 145 27745 1 . THR 146 146 27745 1 . ALA 147 147 27745 1 . LYS 148 148 27745 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 27745 _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_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 . 27745 2 2 -3 PRO . 27745 2 3 -2 GLY . 27745 2 4 -1 SER . 27745 2 5 1901 LYS . 27745 2 6 1902 ARG . 27745 2 7 1903 LYS . 27745 2 8 1904 GLN . 27745 2 9 1905 GLU . 27745 2 10 1906 GLU . 27745 2 11 1907 VAL . 27745 2 12 1908 SER . 27745 2 13 1909 ALA . 27745 2 14 1910 ILE . 27745 2 15 1911 ILE . 27745 2 16 1912 ILE . 27745 2 17 1913 GLN . 27745 2 18 1914 ARG . 27745 2 19 1915 ALA . 27745 2 20 1916 TYR . 27745 2 21 1917 ARG . 27745 2 22 1918 ARG . 27745 2 23 1919 TYR . 27745 2 24 1920 LEU . 27745 2 25 1921 LEU . 27745 2 26 1922 LYS . 27745 2 27 1923 GLN . 27745 2 28 1924 LYS . 27745 2 29 1925 VAL . 27745 2 30 1926 LYS . 27745 2 31 1927 LYS . 27745 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 27745 2 . PRO 2 2 27745 2 . GLY 3 3 27745 2 . SER 4 4 27745 2 . LYS 5 5 27745 2 . ARG 6 6 27745 2 . LYS 7 7 27745 2 . GLN 8 8 27745 2 . GLU 9 9 27745 2 . GLU 10 10 27745 2 . VAL 11 11 27745 2 . SER 12 12 27745 2 . ALA 13 13 27745 2 . ILE 14 14 27745 2 . ILE 15 15 27745 2 . ILE 16 16 27745 2 . GLN 17 17 27745 2 . ARG 18 18 27745 2 . ALA 19 19 27745 2 . TYR 20 20 27745 2 . ARG 21 21 27745 2 . ARG 22 22 27745 2 . TYR 23 23 27745 2 . LEU 24 24 27745 2 . LEU 25 25 27745 2 . LYS 26 26 27745 2 . GLN 27 27 27745 2 . LYS 28 28 27745 2 . VAL 29 29 27745 2 . LYS 30 30 27745 2 . LYS 31 31 27745 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 27745 _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 27745 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 27745 3 CA 'Three letter code' 27745 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 27745 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 27745 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27745 1 2 2 $voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27745 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 27745 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pT7-7 . . . 27745 1 2 2 $voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pBG101 . . . 27745 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 27745 _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 27745 CA InChI=1S/Ca/q+2 InChI InChI 1.03 27745 CA [Ca++] SMILES CACTVS 3.341 27745 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 27745 CA [Ca+2] SMILES ACDLabs 10.04 27745 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 27745 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27745 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 27745 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27745 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 . 27745 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27745 _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 '[U-99% 13C; U-99% 15N]' . . 1 $Calmodulin . . 0.85 . . mM . . . . 27745 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 . . 0.85 . . mM . . . . 27745 1 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 27745 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27745 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 27745 1 6 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 27745 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 27745 _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 27745 1 pH 6.5 . pH 27745 1 pressure 1 . atm 27745 1 temperature 298 . K 27745 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27745 _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 . . 27745 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27745 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27745 _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' . . 27745 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27745 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27745 _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 . . 27745 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27745 3 'data analysis' . 27745 3 'peak picking' . 27745 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 27745 _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 27745 _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 . . . 27745 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 27745 _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 . . . . . . . . . . . . . . . . . 27745 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27745 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27745 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27745 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27745 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 27745 _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 . . . . . 27745 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27745 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 27745 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 27745 _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' . . . 27745 1 2 '3D HNCO' . . . 27745 1 3 '3D HNCACB' . . . 27745 1 4 '3D CBCA(CO)NH' . . . 27745 1 5 '3D HN(CA)CO' . . . 27745 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 . . 27745 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 ASP C C 13 175.651 0.000 . 1 . . . . . 2 ASP C . 27745 1 2 . 1 . 1 2 2 ASP CA C 13 54.730 0.031 . 1 . . . . . 2 ASP CA . 27745 1 3 . 1 . 1 2 2 ASP CB C 13 41.396 0.052 . 1 . . . . . 2 ASP CB . 27745 1 4 . 1 . 1 3 3 GLN H H 1 8.396 0.002 . 1 . . . . . 3 GLN H . 27745 1 5 . 1 . 1 3 3 GLN C C 13 175.655 0.011 . 1 . . . . . 3 GLN C . 27745 1 6 . 1 . 1 3 3 GLN CA C 13 55.580 0.000 . 1 . . . . . 3 GLN CA . 27745 1 7 . 1 . 1 3 3 GLN CB C 13 29.840 0.000 . 1 . . . . . 3 GLN CB . 27745 1 8 . 1 . 1 3 3 GLN N N 15 120.132 0.002 . 1 . . . . . 3 GLN N . 27745 1 9 . 1 . 1 4 4 LEU H H 1 8.338 0.002 . 1 . . . . . 4 LEU H . 27745 1 10 . 1 . 1 4 4 LEU C C 13 177.669 0.022 . 1 . . . . . 4 LEU C . 27745 1 11 . 1 . 1 4 4 LEU CA C 13 55.565 0.000 . 1 . . . . . 4 LEU CA . 27745 1 12 . 1 . 1 4 4 LEU CB C 13 43.657 0.000 . 1 . . . . . 4 LEU CB . 27745 1 13 . 1 . 1 4 4 LEU N N 15 123.482 0.055 . 1 . . . . . 4 LEU N . 27745 1 14 . 1 . 1 5 5 THR H H 1 8.681 0.003 . 1 . . . . . 5 THR H . 27745 1 15 . 1 . 1 5 5 THR C C 13 175.448 0.011 . 1 . . . . . 5 THR C . 27745 1 16 . 1 . 1 5 5 THR CA C 13 60.568 0.000 . 1 . . . . . 5 THR CA . 27745 1 17 . 1 . 1 5 5 THR CB C 13 71.206 0.000 . 1 . . . . . 5 THR CB . 27745 1 18 . 1 . 1 5 5 THR N N 15 113.132 0.011 . 1 . . . . . 5 THR N . 27745 1 19 . 1 . 1 6 6 GLU H H 1 9.001 0.002 . 1 . . . . . 6 GLU H . 27745 1 20 . 1 . 1 6 6 GLU C C 13 179.474 0.000 . 1 . . . . . 6 GLU C . 27745 1 21 . 1 . 1 6 6 GLU CA C 13 60.134 0.000 . 1 . . . . . 6 GLU CA . 27745 1 22 . 1 . 1 6 6 GLU CB C 13 29.264 0.000 . 1 . . . . . 6 GLU CB . 27745 1 23 . 1 . 1 6 6 GLU N N 15 120.517 0.009 . 1 . . . . . 6 GLU N . 27745 1 24 . 1 . 1 7 7 GLU H H 1 8.688 0.002 . 1 . . . . . 7 GLU H . 27745 1 25 . 1 . 1 7 7 GLU C C 13 179.268 0.035 . 1 . . . . . 7 GLU C . 27745 1 26 . 1 . 1 7 7 GLU CA C 13 59.959 0.015 . 1 . . . . . 7 GLU CA . 27745 1 27 . 1 . 1 7 7 GLU CB C 13 29.092 0.000 . 1 . . . . . 7 GLU CB . 27745 1 28 . 1 . 1 7 7 GLU N N 15 119.582 0.010 . 1 . . . . . 7 GLU N . 27745 1 29 . 1 . 1 8 8 GLN H H 1 7.735 0.004 . 1 . . . . . 8 GLN H . 27745 1 30 . 1 . 1 8 8 GLN C C 13 178.138 0.021 . 1 . . . . . 8 GLN C . 27745 1 31 . 1 . 1 8 8 GLN CA C 13 58.805 0.000 . 1 . . . . . 8 GLN CA . 27745 1 32 . 1 . 1 8 8 GLN CB C 13 29.309 0.000 . 1 . . . . . 8 GLN CB . 27745 1 33 . 1 . 1 8 8 GLN N N 15 120.333 0.005 . 1 . . . . . 8 GLN N . 27745 1 34 . 1 . 1 9 9 ILE H H 1 8.376 0.005 . 1 . . . . . 9 ILE H . 27745 1 35 . 1 . 1 9 9 ILE C C 13 177.810 0.008 . 1 . . . . . 9 ILE C . 27745 1 36 . 1 . 1 9 9 ILE CA C 13 66.223 0.000 . 1 . . . . . 9 ILE CA . 27745 1 37 . 1 . 1 9 9 ILE CB C 13 37.777 0.059 . 1 . . . . . 9 ILE CB . 27745 1 38 . 1 . 1 9 9 ILE N N 15 119.559 0.007 . 1 . . . . . 9 ILE N . 27745 1 39 . 1 . 1 10 10 ALA H H 1 8.027 0.004 . 1 . . . . . 10 ALA H . 27745 1 40 . 1 . 1 10 10 ALA C C 13 181.041 0.016 . 1 . . . . . 10 ALA C . 27745 1 41 . 1 . 1 10 10 ALA CA C 13 55.549 0.000 . 1 . . . . . 10 ALA CA . 27745 1 42 . 1 . 1 10 10 ALA CB C 13 18.004 0.000 . 1 . . . . . 10 ALA CB . 27745 1 43 . 1 . 1 10 10 ALA N N 15 121.175 0.011 . 1 . . . . . 10 ALA N . 27745 1 44 . 1 . 1 11 11 GLU H H 1 7.771 0.002 . 1 . . . . . 11 GLU H . 27745 1 45 . 1 . 1 11 11 GLU C C 13 180.403 0.043 . 1 . . . . . 11 GLU C . 27745 1 46 . 1 . 1 11 11 GLU CA C 13 59.447 0.000 . 1 . . . . . 11 GLU CA . 27745 1 47 . 1 . 1 11 11 GLU CB C 13 29.148 0.000 . 1 . . . . . 11 GLU CB . 27745 1 48 . 1 . 1 11 11 GLU N N 15 119.958 0.024 . 1 . . . . . 11 GLU N . 27745 1 49 . 1 . 1 12 12 PHE H H 1 8.584 0.002 . 1 . . . . . 12 PHE H . 27745 1 50 . 1 . 1 12 12 PHE C C 13 178.803 0.000 . 1 . . . . . 12 PHE C . 27745 1 51 . 1 . 1 12 12 PHE CA C 13 58.997 0.000 . 1 . . . . . 12 PHE CA . 27745 1 52 . 1 . 1 12 12 PHE CB C 13 37.512 0.000 . 1 . . . . . 12 PHE CB . 27745 1 53 . 1 . 1 12 12 PHE N N 15 120.408 0.007 . 1 . . . . . 12 PHE N . 27745 1 54 . 1 . 1 13 13 LYS H H 1 9.195 0.002 . 1 . . . . . 13 LYS H . 27745 1 55 . 1 . 1 13 13 LYS C C 13 179.290 0.003 . 1 . . . . . 13 LYS C . 27745 1 56 . 1 . 1 13 13 LYS CA C 13 60.185 0.000 . 1 . . . . . 13 LYS CA . 27745 1 57 . 1 . 1 13 13 LYS CB C 13 31.937 0.000 . 1 . . . . . 13 LYS CB . 27745 1 58 . 1 . 1 13 13 LYS N N 15 123.727 0.010 . 1 . . . . . 13 LYS N . 27745 1 59 . 1 . 1 14 14 GLU H H 1 7.807 0.004 . 1 . . . . . 14 GLU H . 27745 1 60 . 1 . 1 14 14 GLU C C 13 179.650 0.082 . 1 . . . . . 14 GLU C . 27745 1 61 . 1 . 1 14 14 GLU CA C 13 59.348 0.000 . 1 . . . . . 14 GLU CA . 27745 1 62 . 1 . 1 14 14 GLU CB C 13 29.295 0.016 . 1 . . . . . 14 GLU CB . 27745 1 63 . 1 . 1 14 14 GLU N N 15 120.494 0.009 . 1 . . . . . 14 GLU N . 27745 1 64 . 1 . 1 15 15 ALA H H 1 8.074 0.004 . 1 . . . . . 15 ALA H . 27745 1 65 . 1 . 1 15 15 ALA C C 13 178.421 0.003 . 1 . . . . . 15 ALA C . 27745 1 66 . 1 . 1 15 15 ALA CA C 13 55.483 0.020 . 1 . . . . . 15 ALA CA . 27745 1 67 . 1 . 1 15 15 ALA CB C 13 18.592 0.000 . 1 . . . . . 15 ALA CB . 27745 1 68 . 1 . 1 15 15 ALA N N 15 122.347 0.014 . 1 . . . . . 15 ALA N . 27745 1 69 . 1 . 1 16 16 PHE H H 1 8.795 0.006 . 1 . . . . . 16 PHE H . 27745 1 70 . 1 . 1 16 16 PHE C C 13 177.647 0.042 . 1 . . . . . 16 PHE C . 27745 1 71 . 1 . 1 16 16 PHE CA C 13 62.041 0.000 . 1 . . . . . 16 PHE CA . 27745 1 72 . 1 . 1 16 16 PHE CB C 13 39.734 0.000 . 1 . . . . . 16 PHE CB . 27745 1 73 . 1 . 1 16 16 PHE N N 15 119.253 0.007 . 1 . . . . . 16 PHE N . 27745 1 74 . 1 . 1 17 17 SER H H 1 7.967 0.007 . 1 . . . . . 17 SER H . 27745 1 75 . 1 . 1 17 17 SER C C 13 174.654 0.032 . 1 . . . . . 17 SER C . 27745 1 76 . 1 . 1 17 17 SER CA C 13 61.767 0.000 . 1 . . . . . 17 SER CA . 27745 1 77 . 1 . 1 17 17 SER CB C 13 63.365 0.000 . 1 . . . . . 17 SER CB . 27745 1 78 . 1 . 1 17 17 SER N N 15 113.093 0.012 . 1 . . . . . 17 SER N . 27745 1 79 . 1 . 1 18 18 LEU H H 1 7.405 0.003 . 1 . . . . . 18 LEU H . 27745 1 80 . 1 . 1 18 18 LEU C C 13 177.341 0.017 . 1 . . . . . 18 LEU C . 27745 1 81 . 1 . 1 18 18 LEU CA C 13 57.272 0.000 . 1 . . . . . 18 LEU CA . 27745 1 82 . 1 . 1 18 18 LEU CB C 13 41.497 0.000 . 1 . . . . . 18 LEU CB . 27745 1 83 . 1 . 1 18 18 LEU N N 15 120.911 0.009 . 1 . . . . . 18 LEU N . 27745 1 84 . 1 . 1 19 19 PHE H H 1 7.183 0.005 . 1 . . . . . 19 PHE H . 27745 1 85 . 1 . 1 19 19 PHE C C 13 176.892 0.000 . 1 . . . . . 19 PHE C . 27745 1 86 . 1 . 1 19 19 PHE CA C 13 59.397 0.026 . 1 . . . . . 19 PHE CA . 27745 1 87 . 1 . 1 19 19 PHE N N 15 113.819 0.036 . 1 . . . . . 19 PHE N . 27745 1 88 . 1 . 1 20 20 ASP H H 1 7.873 0.005 . 1 . . . . . 20 ASP H . 27745 1 89 . 1 . 1 20 20 ASP C C 13 177.249 0.022 . 1 . . . . . 20 ASP C . 27745 1 90 . 1 . 1 20 20 ASP CA C 13 52.566 0.004 . 1 . . . . . 20 ASP CA . 27745 1 91 . 1 . 1 20 20 ASP CB C 13 39.115 0.000 . 1 . . . . . 20 ASP CB . 27745 1 92 . 1 . 1 20 20 ASP N N 15 117.750 0.021 . 1 . . . . . 20 ASP N . 27745 1 93 . 1 . 1 21 21 LYS H H 1 7.694 0.003 . 1 . . . . . 21 LYS H . 27745 1 94 . 1 . 1 21 21 LYS C C 13 178.116 0.035 . 1 . . . . . 21 LYS C . 27745 1 95 . 1 . 1 21 21 LYS CA C 13 58.630 0.000 . 1 . . . . . 21 LYS CA . 27745 1 96 . 1 . 1 21 21 LYS CB C 13 32.822 0.000 . 1 . . . . . 21 LYS CB . 27745 1 97 . 1 . 1 21 21 LYS N N 15 124.449 0.005 . 1 . . . . . 21 LYS N . 27745 1 98 . 1 . 1 22 22 ASP H H 1 8.029 0.004 . 1 . . . . . 22 ASP H . 27745 1 99 . 1 . 1 22 22 ASP C C 13 177.680 0.011 . 1 . . . . . 22 ASP C . 27745 1 100 . 1 . 1 22 22 ASP CA C 13 52.882 0.000 . 1 . . . . . 22 ASP CA . 27745 1 101 . 1 . 1 22 22 ASP CB C 13 39.651 0.000 . 1 . . . . . 22 ASP CB . 27745 1 102 . 1 . 1 22 22 ASP N N 15 113.999 0.008 . 1 . . . . . 22 ASP N . 27745 1 103 . 1 . 1 23 23 GLY H H 1 7.680 0.003 . 1 . . . . . 23 GLY H . 27745 1 104 . 1 . 1 23 23 GLY C C 13 175.120 0.015 . 1 . . . . . 23 GLY C . 27745 1 105 . 1 . 1 23 23 GLY CA C 13 47.285 0.000 . 1 . . . . . 23 GLY CA . 27745 1 106 . 1 . 1 23 23 GLY N N 15 109.320 0.009 . 1 . . . . . 23 GLY N . 27745 1 107 . 1 . 1 24 24 ASP H H 1 8.395 0.002 . 1 . . . . . 24 ASP H . 27745 1 108 . 1 . 1 24 24 ASP C C 13 177.409 0.005 . 1 . . . . . 24 ASP C . 27745 1 109 . 1 . 1 24 24 ASP CA C 13 53.744 0.006 . 1 . . . . . 24 ASP CA . 27745 1 110 . 1 . 1 24 24 ASP CB C 13 40.508 0.000 . 1 . . . . . 24 ASP CB . 27745 1 111 . 1 . 1 24 24 ASP N N 15 120.779 0.014 . 1 . . . . . 24 ASP N . 27745 1 112 . 1 . 1 25 25 GLY H H 1 10.566 0.004 . 1 . . . . . 25 GLY H . 27745 1 113 . 1 . 1 25 25 GLY C C 13 173.681 0.032 . 1 . . . . . 25 GLY C . 27745 1 114 . 1 . 1 25 25 GLY CA C 13 45.478 0.044 . 1 . . . . . 25 GLY CA . 27745 1 115 . 1 . 1 25 25 GLY N N 15 113.019 0.010 . 1 . . . . . 25 GLY N . 27745 1 116 . 1 . 1 26 26 THR H H 1 8.166 0.003 . 1 . . . . . 26 THR H . 27745 1 117 . 1 . 1 26 26 THR C C 13 173.061 0.028 . 1 . . . . . 26 THR C . 27745 1 118 . 1 . 1 26 26 THR CA C 13 59.890 0.000 . 1 . . . . . 26 THR CA . 27745 1 119 . 1 . 1 26 26 THR CB C 13 72.697 0.000 . 1 . . . . . 26 THR CB . 27745 1 120 . 1 . 1 26 26 THR N N 15 112.801 0.011 . 1 . . . . . 26 THR N . 27745 1 121 . 1 . 1 27 27 ILE H H 1 9.790 0.004 . 1 . . . . . 27 ILE H . 27745 1 122 . 1 . 1 27 27 ILE C C 13 176.004 0.023 . 1 . . . . . 27 ILE C . 27745 1 123 . 1 . 1 27 27 ILE CA C 13 60.776 0.000 . 1 . . . . . 27 ILE CA . 27745 1 124 . 1 . 1 27 27 ILE CB C 13 39.818 0.000 . 1 . . . . . 27 ILE CB . 27745 1 125 . 1 . 1 27 27 ILE N N 15 126.947 0.032 . 1 . . . . . 27 ILE N . 27745 1 126 . 1 . 1 28 28 THR H H 1 8.424 0.005 . 1 . . . . . 28 THR H . 27745 1 127 . 1 . 1 28 28 THR C C 13 176.645 0.023 . 1 . . . . . 28 THR C . 27745 1 128 . 1 . 1 28 28 THR CA C 13 60.935 0.000 . 1 . . . . . 28 THR CA . 27745 1 129 . 1 . 1 28 28 THR CB C 13 72.491 0.000 . 1 . . . . . 28 THR CB . 27745 1 130 . 1 . 1 28 28 THR N N 15 116.567 0.018 . 1 . . . . . 28 THR N . 27745 1 131 . 1 . 1 29 29 THR H H 1 9.128 0.003 . 1 . . . . . 29 THR H . 27745 1 132 . 1 . 1 29 29 THR C C 13 177.322 0.026 . 1 . . . . . 29 THR C . 27745 1 133 . 1 . 1 29 29 THR CA C 13 66.384 0.000 . 1 . . . . . 29 THR CA . 27745 1 134 . 1 . 1 29 29 THR CB C 13 72.465 0.000 . 1 . . . . . 29 THR CB . 27745 1 135 . 1 . 1 29 29 THR N N 15 112.672 0.019 . 1 . . . . . 29 THR N . 27745 1 136 . 1 . 1 30 30 LYS H H 1 7.665 0.005 . 1 . . . . . 30 LYS H . 27745 1 137 . 1 . 1 30 30 LYS C C 13 179.939 0.004 . 1 . . . . . 30 LYS C . 27745 1 138 . 1 . 1 30 30 LYS CA C 13 59.299 0.000 . 1 . . . . . 30 LYS CA . 27745 1 139 . 1 . 1 30 30 LYS CB C 13 32.607 0.000 . 1 . . . . . 30 LYS CB . 27745 1 140 . 1 . 1 30 30 LYS N N 15 121.253 0.010 . 1 . . . . . 30 LYS N . 27745 1 141 . 1 . 1 31 31 GLU H H 1 7.691 0.003 . 1 . . . . . 31 GLU H . 27745 1 142 . 1 . 1 31 31 GLU C C 13 179.462 0.013 . 1 . . . . . 31 GLU C . 27745 1 143 . 1 . 1 31 31 GLU CA C 13 59.521 0.000 . 1 . . . . . 31 GLU CA . 27745 1 144 . 1 . 1 31 31 GLU CB C 13 29.541 0.000 . 1 . . . . . 31 GLU CB . 27745 1 145 . 1 . 1 31 31 GLU N N 15 121.894 0.004 . 1 . . . . . 31 GLU N . 27745 1 146 . 1 . 1 32 32 LEU H H 1 8.660 0.005 . 1 . . . . . 32 LEU H . 27745 1 147 . 1 . 1 32 32 LEU C C 13 178.941 0.060 . 1 . . . . . 32 LEU C . 27745 1 148 . 1 . 1 32 32 LEU CA C 13 58.357 0.000 . 1 . . . . . 32 LEU CA . 27745 1 149 . 1 . 1 32 32 LEU CB C 13 42.836 0.000 . 1 . . . . . 32 LEU CB . 27745 1 150 . 1 . 1 32 32 LEU N N 15 120.487 0.035 . 1 . . . . . 32 LEU N . 27745 1 151 . 1 . 1 33 33 GLY H H 1 8.652 0.004 . 1 . . . . . 33 GLY H . 27745 1 152 . 1 . 1 33 33 GLY C C 13 175.135 0.013 . 1 . . . . . 33 GLY C . 27745 1 153 . 1 . 1 33 33 GLY CA C 13 48.368 0.000 . 1 . . . . . 33 GLY CA . 27745 1 154 . 1 . 1 33 33 GLY N N 15 105.653 0.010 . 1 . . . . . 33 GLY N . 27745 1 155 . 1 . 1 34 34 THR H H 1 7.970 0.003 . 1 . . . . . 34 THR H . 27745 1 156 . 1 . 1 34 34 THR C C 13 177.186 0.009 . 1 . . . . . 34 THR C . 27745 1 157 . 1 . 1 34 34 THR CA C 13 67.071 0.000 . 1 . . . . . 34 THR CA . 27745 1 158 . 1 . 1 34 34 THR CB C 13 68.877 0.000 . 1 . . . . . 34 THR CB . 27745 1 159 . 1 . 1 34 34 THR N N 15 118.277 0.024 . 1 . . . . . 34 THR N . 27745 1 160 . 1 . 1 35 35 VAL H H 1 7.596 0.003 . 1 . . . . . 35 VAL H . 27745 1 161 . 1 . 1 35 35 VAL C C 13 179.258 0.003 . 1 . . . . . 35 VAL C . 27745 1 162 . 1 . 1 35 35 VAL CA C 13 66.387 0.000 . 1 . . . . . 35 VAL CA . 27745 1 163 . 1 . 1 35 35 VAL CB C 13 31.737 0.000 . 1 . . . . . 35 VAL CB . 27745 1 164 . 1 . 1 35 35 VAL N N 15 121.932 0.006 . 1 . . . . . 35 VAL N . 27745 1 165 . 1 . 1 36 36 MET H H 1 8.439 0.002 . 1 . . . . . 36 MET H . 27745 1 166 . 1 . 1 36 36 MET C C 13 179.151 0.005 . 1 . . . . . 36 MET C . 27745 1 167 . 1 . 1 36 36 MET CA C 13 59.312 0.000 . 1 . . . . . 36 MET CA . 27745 1 168 . 1 . 1 36 36 MET CB C 13 31.863 0.000 . 1 . . . . . 36 MET CB . 27745 1 169 . 1 . 1 36 36 MET N N 15 118.595 0.005 . 1 . . . . . 36 MET N . 27745 1 170 . 1 . 1 37 37 ARG H H 1 8.565 0.004 . 1 . . . . . 37 ARG H . 27745 1 171 . 1 . 1 37 37 ARG C C 13 181.337 0.024 . 1 . . . . . 37 ARG C . 27745 1 172 . 1 . 1 37 37 ARG CA C 13 59.344 0.000 . 1 . . . . . 37 ARG CA . 27745 1 173 . 1 . 1 37 37 ARG CB C 13 30.084 0.000 . 1 . . . . . 37 ARG CB . 27745 1 174 . 1 . 1 37 37 ARG N N 15 118.967 0.007 . 1 . . . . . 37 ARG N . 27745 1 175 . 1 . 1 38 38 SER H H 1 7.937 0.003 . 1 . . . . . 38 SER H . 27745 1 176 . 1 . 1 38 38 SER C C 13 174.895 0.033 . 1 . . . . . 38 SER C . 27745 1 177 . 1 . 1 38 38 SER CA C 13 61.593 0.000 . 1 . . . . . 38 SER CA . 27745 1 178 . 1 . 1 38 38 SER CB C 13 62.713 0.000 . 1 . . . . . 38 SER CB . 27745 1 179 . 1 . 1 38 38 SER N N 15 118.941 0.012 . 1 . . . . . 38 SER N . 27745 1 180 . 1 . 1 39 39 LEU H H 1 7.367 0.005 . 1 . . . . . 39 LEU H . 27745 1 181 . 1 . 1 39 39 LEU C C 13 177.303 0.035 . 1 . . . . . 39 LEU C . 27745 1 182 . 1 . 1 39 39 LEU CA C 13 54.574 0.000 . 1 . . . . . 39 LEU CA . 27745 1 183 . 1 . 1 39 39 LEU CB C 13 41.922 0.000 . 1 . . . . . 39 LEU CB . 27745 1 184 . 1 . 1 39 39 LEU N N 15 121.146 0.008 . 1 . . . . . 39 LEU N . 27745 1 185 . 1 . 1 40 40 GLY H H 1 7.878 0.004 . 1 . . . . . 40 GLY H . 27745 1 186 . 1 . 1 40 40 GLY C C 13 174.351 0.010 . 1 . . . . . 40 GLY C . 27745 1 187 . 1 . 1 40 40 GLY CA C 13 45.632 0.061 . 1 . . . . . 40 GLY CA . 27745 1 188 . 1 . 1 40 40 GLY N N 15 106.896 0.008 . 1 . . . . . 40 GLY N . 27745 1 189 . 1 . 1 41 41 GLN H H 1 7.830 0.004 . 1 . . . . . 41 GLN H . 27745 1 190 . 1 . 1 41 41 GLN C C 13 174.098 0.032 . 1 . . . . . 41 GLN C . 27745 1 191 . 1 . 1 41 41 GLN CA C 13 54.632 0.000 . 1 . . . . . 41 GLN CA . 27745 1 192 . 1 . 1 41 41 GLN CB C 13 30.691 0.042 . 1 . . . . . 41 GLN CB . 27745 1 193 . 1 . 1 41 41 GLN N N 15 118.490 0.011 . 1 . . . . . 41 GLN N . 27745 1 194 . 1 . 1 42 42 ASN H H 1 8.691 0.004 . 1 . . . . . 42 ASN H . 27745 1 195 . 1 . 1 42 42 ASN C C 13 171.991 0.000 . 1 . . . . . 42 ASN C . 27745 1 196 . 1 . 1 42 42 ASN CA C 13 51.341 0.000 . 1 . . . . . 42 ASN CA . 27745 1 197 . 1 . 1 42 42 ASN CB C 13 39.422 0.000 . 1 . . . . . 42 ASN CB . 27745 1 198 . 1 . 1 42 42 ASN N N 15 116.595 0.011 . 1 . . . . . 42 ASN N . 27745 1 199 . 1 . 1 43 43 PRO C C 13 177.653 0.006 . 1 . . . . . 43 PRO C . 27745 1 200 . 1 . 1 43 43 PRO CA C 13 62.325 0.006 . 1 . . . . . 43 PRO CA . 27745 1 201 . 1 . 1 43 43 PRO CB C 13 32.008 0.000 . 1 . . . . . 43 PRO CB . 27745 1 202 . 1 . 1 44 44 THR H H 1 8.737 0.004 . 1 . . . . . 44 THR H . 27745 1 203 . 1 . 1 44 44 THR C C 13 175.140 0.017 . 1 . . . . . 44 THR C . 27745 1 204 . 1 . 1 44 44 THR CA C 13 62.319 0.000 . 1 . . . . . 44 THR CA . 27745 1 205 . 1 . 1 44 44 THR CB C 13 71.118 0.000 . 1 . . . . . 44 THR CB . 27745 1 206 . 1 . 1 44 44 THR N N 15 113.151 0.013 . 1 . . . . . 44 THR N . 27745 1 207 . 1 . 1 45 45 GLU H H 1 8.791 0.004 . 1 . . . . . 45 GLU H . 27745 1 208 . 1 . 1 45 45 GLU C C 13 178.925 0.016 . 1 . . . . . 45 GLU C . 27745 1 209 . 1 . 1 45 45 GLU CA C 13 60.564 0.000 . 1 . . . . . 45 GLU CA . 27745 1 210 . 1 . 1 45 45 GLU CB C 13 29.103 0.000 . 1 . . . . . 45 GLU CB . 27745 1 211 . 1 . 1 45 45 GLU N N 15 120.792 0.015 . 1 . . . . . 45 GLU N . 27745 1 212 . 1 . 1 46 46 ALA H H 1 8.243 0.001 . 1 . . . . . 46 ALA H . 27745 1 213 . 1 . 1 46 46 ALA C C 13 180.209 0.014 . 1 . . . . . 46 ALA C . 27745 1 214 . 1 . 1 46 46 ALA CA C 13 55.145 0.000 . 1 . . . . . 46 ALA CA . 27745 1 215 . 1 . 1 46 46 ALA CB C 13 18.290 0.000 . 1 . . . . . 46 ALA CB . 27745 1 216 . 1 . 1 46 46 ALA N N 15 120.766 0.013 . 1 . . . . . 46 ALA N . 27745 1 217 . 1 . 1 47 47 GLU H H 1 7.689 0.002 . 1 . . . . . 47 GLU H . 27745 1 218 . 1 . 1 47 47 GLU C C 13 180.128 0.005 . 1 . . . . . 47 GLU C . 27745 1 219 . 1 . 1 47 47 GLU CA C 13 59.084 0.000 . 1 . . . . . 47 GLU CA . 27745 1 220 . 1 . 1 47 47 GLU CB C 13 29.915 0.000 . 1 . . . . . 47 GLU CB . 27745 1 221 . 1 . 1 47 47 GLU N N 15 118.734 0.006 . 1 . . . . . 47 GLU N . 27745 1 222 . 1 . 1 48 48 LEU H H 1 8.121 0.002 . 1 . . . . . 48 LEU H . 27745 1 223 . 1 . 1 48 48 LEU C C 13 178.568 0.005 . 1 . . . . . 48 LEU C . 27745 1 224 . 1 . 1 48 48 LEU CA C 13 57.765 0.000 . 1 . . . . . 48 LEU CA . 27745 1 225 . 1 . 1 48 48 LEU CB C 13 42.455 0.048 . 1 . . . . . 48 LEU CB . 27745 1 226 . 1 . 1 48 48 LEU N N 15 120.287 0.084 . 1 . . . . . 48 LEU N . 27745 1 227 . 1 . 1 49 49 GLN H H 1 8.214 0.004 . 1 . . . . . 49 GLN H . 27745 1 228 . 1 . 1 49 49 GLN C C 13 178.471 0.011 . 1 . . . . . 49 GLN C . 27745 1 229 . 1 . 1 49 49 GLN CA C 13 58.542 0.000 . 1 . . . . . 49 GLN CA . 27745 1 230 . 1 . 1 49 49 GLN CB C 13 28.203 0.000 . 1 . . . . . 49 GLN CB . 27745 1 231 . 1 . 1 49 49 GLN N N 15 118.489 0.025 . 1 . . . . . 49 GLN N . 27745 1 232 . 1 . 1 50 50 ASP H H 1 8.094 0.004 . 1 . . . . . 50 ASP H . 27745 1 233 . 1 . 1 50 50 ASP C C 13 178.659 0.023 . 1 . . . . . 50 ASP C . 27745 1 234 . 1 . 1 50 50 ASP CA C 13 57.489 0.014 . 1 . . . . . 50 ASP CA . 27745 1 235 . 1 . 1 50 50 ASP CB C 13 40.398 0.000 . 1 . . . . . 50 ASP CB . 27745 1 236 . 1 . 1 50 50 ASP N N 15 119.996 0.013 . 1 . . . . . 50 ASP N . 27745 1 237 . 1 . 1 51 51 MET H H 1 7.795 0.003 . 1 . . . . . 51 MET H . 27745 1 238 . 1 . 1 51 51 MET C C 13 178.839 0.037 . 1 . . . . . 51 MET C . 27745 1 239 . 1 . 1 51 51 MET CA C 13 59.376 0.010 . 1 . . . . . 51 MET CA . 27745 1 240 . 1 . 1 51 51 MET CB C 13 33.459 0.000 . 1 . . . . . 51 MET CB . 27745 1 241 . 1 . 1 51 51 MET N N 15 119.184 0.006 . 1 . . . . . 51 MET N . 27745 1 242 . 1 . 1 52 52 ILE H H 1 7.713 0.005 . 1 . . . . . 52 ILE H . 27745 1 243 . 1 . 1 52 52 ILE C C 13 177.926 0.000 . 1 . . . . . 52 ILE C . 27745 1 244 . 1 . 1 52 52 ILE CA C 13 64.461 0.027 . 1 . . . . . 52 ILE CA . 27745 1 245 . 1 . 1 52 52 ILE CB C 13 37.128 0.000 . 1 . . . . . 52 ILE CB . 27745 1 246 . 1 . 1 52 52 ILE N N 15 118.147 0.007 . 1 . . . . . 52 ILE N . 27745 1 247 . 1 . 1 53 53 ASN H H 1 8.596 0.004 . 1 . . . . . 53 ASN H . 27745 1 248 . 1 . 1 53 53 ASN C C 13 177.239 0.027 . 1 . . . . . 53 ASN C . 27745 1 249 . 1 . 1 53 53 ASN CA C 13 55.926 0.000 . 1 . . . . . 53 ASN CA . 27745 1 250 . 1 . 1 53 53 ASN CB C 13 38.111 0.000 . 1 . . . . . 53 ASN CB . 27745 1 251 . 1 . 1 53 53 ASN N N 15 117.951 0.015 . 1 . . . . . 53 ASN N . 27745 1 252 . 1 . 1 54 54 GLU H H 1 7.504 0.003 . 1 . . . . . 54 GLU H . 27745 1 253 . 1 . 1 54 54 GLU C C 13 177.323 0.018 . 1 . . . . . 54 GLU C . 27745 1 254 . 1 . 1 54 54 GLU CA C 13 58.838 0.000 . 1 . . . . . 54 GLU CA . 27745 1 255 . 1 . 1 54 54 GLU CB C 13 30.489 0.000 . 1 . . . . . 54 GLU CB . 27745 1 256 . 1 . 1 54 54 GLU N N 15 116.321 0.010 . 1 . . . . . 54 GLU N . 27745 1 257 . 1 . 1 55 55 VAL H H 1 7.204 0.006 . 1 . . . . . 55 VAL H . 27745 1 258 . 1 . 1 55 55 VAL C C 13 175.746 0.000 . 1 . . . . . 55 VAL C . 27745 1 259 . 1 . 1 55 55 VAL CA C 13 60.960 0.000 . 1 . . . . . 55 VAL CA . 27745 1 260 . 1 . 1 55 55 VAL CB C 13 32.959 0.000 . 1 . . . . . 55 VAL CB . 27745 1 261 . 1 . 1 55 55 VAL N N 15 109.527 0.002 . 1 . . . . . 55 VAL N . 27745 1 262 . 1 . 1 56 56 ASP H H 1 7.723 0.006 . 1 . . . . . 56 ASP H . 27745 1 263 . 1 . 1 56 56 ASP C C 13 176.003 0.043 . 1 . . . . . 56 ASP C . 27745 1 264 . 1 . 1 56 56 ASP CA C 13 53.844 0.000 . 1 . . . . . 56 ASP CA . 27745 1 265 . 1 . 1 56 56 ASP CB C 13 40.454 0.000 . 1 . . . . . 56 ASP CB . 27745 1 266 . 1 . 1 56 56 ASP N N 15 121.497 0.013 . 1 . . . . . 56 ASP N . 27745 1 267 . 1 . 1 57 57 ALA H H 1 8.373 0.004 . 1 . . . . . 57 ALA H . 27745 1 268 . 1 . 1 57 57 ALA C C 13 178.669 0.003 . 1 . . . . . 57 ALA C . 27745 1 269 . 1 . 1 57 57 ALA CA C 13 54.224 0.000 . 1 . . . . . 57 ALA CA . 27745 1 270 . 1 . 1 57 57 ALA CB C 13 19.711 0.000 . 1 . . . . . 57 ALA CB . 27745 1 271 . 1 . 1 57 57 ALA N N 15 131.726 0.011 . 1 . . . . . 57 ALA N . 27745 1 272 . 1 . 1 58 58 ASP H H 1 8.161 0.003 . 1 . . . . . 58 ASP H . 27745 1 273 . 1 . 1 58 58 ASP C C 13 177.761 0.001 . 1 . . . . . 58 ASP C . 27745 1 274 . 1 . 1 58 58 ASP CA C 13 52.746 0.000 . 1 . . . . . 58 ASP CA . 27745 1 275 . 1 . 1 58 58 ASP CB C 13 39.894 0.000 . 1 . . . . . 58 ASP CB . 27745 1 276 . 1 . 1 58 58 ASP N N 15 113.936 0.009 . 1 . . . . . 58 ASP N . 27745 1 277 . 1 . 1 59 59 GLY H H 1 7.563 0.003 . 1 . . . . . 59 GLY H . 27745 1 278 . 1 . 1 59 59 GLY C C 13 174.960 0.000 . 1 . . . . . 59 GLY C . 27745 1 279 . 1 . 1 59 59 GLY CA C 13 47.164 0.008 . 1 . . . . . 59 GLY CA . 27745 1 280 . 1 . 1 59 59 GLY N N 15 108.598 0.004 . 1 . . . . . 59 GLY N . 27745 1 281 . 1 . 1 60 60 ASN H H 1 8.136 0.003 . 1 . . . . . 60 ASN H . 27745 1 282 . 1 . 1 60 60 ASN C C 13 176.853 0.006 . 1 . . . . . 60 ASN C . 27745 1 283 . 1 . 1 60 60 ASN CA C 13 52.737 0.000 . 1 . . . . . 60 ASN CA . 27745 1 284 . 1 . 1 60 60 ASN CB C 13 37.625 0.026 . 1 . . . . . 60 ASN CB . 27745 1 285 . 1 . 1 60 60 ASN N N 15 118.690 0.017 . 1 . . . . . 60 ASN N . 27745 1 286 . 1 . 1 61 61 GLY H H 1 10.581 0.004 . 1 . . . . . 61 GLY H . 27745 1 287 . 1 . 1 61 61 GLY C C 13 173.291 0.001 . 1 . . . . . 61 GLY C . 27745 1 288 . 1 . 1 61 61 GLY CA C 13 45.790 0.000 . 1 . . . . . 61 GLY CA . 27745 1 289 . 1 . 1 61 61 GLY N N 15 113.402 0.010 . 1 . . . . . 61 GLY N . 27745 1 290 . 1 . 1 62 62 THR H H 1 7.672 0.002 . 1 . . . . . 62 THR H . 27745 1 291 . 1 . 1 62 62 THR C C 13 173.299 0.002 . 1 . . . . . 62 THR C . 27745 1 292 . 1 . 1 62 62 THR CA C 13 59.538 0.000 . 1 . . . . . 62 THR CA . 27745 1 293 . 1 . 1 62 62 THR CB C 13 72.209 0.000 . 1 . . . . . 62 THR CB . 27745 1 294 . 1 . 1 62 62 THR N N 15 108.758 0.005 . 1 . . . . . 62 THR N . 27745 1 295 . 1 . 1 63 63 ILE H H 1 8.801 0.008 . 1 . . . . . 63 ILE H . 27745 1 296 . 1 . 1 63 63 ILE C C 13 175.540 0.024 . 1 . . . . . 63 ILE C . 27745 1 297 . 1 . 1 63 63 ILE CA C 13 59.639 0.000 . 1 . . . . . 63 ILE CA . 27745 1 298 . 1 . 1 63 63 ILE CB C 13 40.097 0.000 . 1 . . . . . 63 ILE CB . 27745 1 299 . 1 . 1 63 63 ILE N N 15 123.371 0.037 . 1 . . . . . 63 ILE N . 27745 1 300 . 1 . 1 64 64 ASP H H 1 8.900 0.004 . 1 . . . . . 64 ASP H . 27745 1 301 . 1 . 1 64 64 ASP C C 13 176.321 0.019 . 1 . . . . . 64 ASP C . 27745 1 302 . 1 . 1 64 64 ASP CA C 13 52.273 0.000 . 1 . . . . . 64 ASP CA . 27745 1 303 . 1 . 1 64 64 ASP CB C 13 42.299 0.000 . 1 . . . . . 64 ASP CB . 27745 1 304 . 1 . 1 64 64 ASP N N 15 128.378 0.015 . 1 . . . . . 64 ASP N . 27745 1 305 . 1 . 1 65 65 PHE H H 1 8.813 0.006 . 1 . . . . . 65 PHE H . 27745 1 306 . 1 . 1 65 65 PHE C C 13 173.548 0.000 . 1 . . . . . 65 PHE C . 27745 1 307 . 1 . 1 65 65 PHE CA C 13 63.300 0.000 . 1 . . . . . 65 PHE CA . 27745 1 308 . 1 . 1 65 65 PHE CB C 13 42.246 0.000 . 1 . . . . . 65 PHE CB . 27745 1 309 . 1 . 1 65 65 PHE N N 15 118.905 0.026 . 1 . . . . . 65 PHE N . 27745 1 310 . 1 . 1 66 66 PRO C C 13 180.027 0.000 . 1 . . . . . 66 PRO C . 27745 1 311 . 1 . 1 66 66 PRO CA C 13 66.766 0.000 . 1 . . . . . 66 PRO CA . 27745 1 312 . 1 . 1 66 66 PRO CB C 13 30.684 0.000 . 1 . . . . . 66 PRO CB . 27745 1 313 . 1 . 1 67 67 GLU H H 1 8.084 0.004 . 1 . . . . . 67 GLU H . 27745 1 314 . 1 . 1 67 67 GLU C C 13 179.054 0.011 . 1 . . . . . 67 GLU C . 27745 1 315 . 1 . 1 67 67 GLU CA C 13 58.814 0.000 . 1 . . . . . 67 GLU CA . 27745 1 316 . 1 . 1 67 67 GLU CB C 13 29.608 0.000 . 1 . . . . . 67 GLU CB . 27745 1 317 . 1 . 1 67 67 GLU N N 15 117.746 0.014 . 1 . . . . . 67 GLU N . 27745 1 318 . 1 . 1 68 68 PHE H H 1 8.825 0.004 . 1 . . . . . 68 PHE H . 27745 1 319 . 1 . 1 68 68 PHE C C 13 176.884 0.043 . 1 . . . . . 68 PHE C . 27745 1 320 . 1 . 1 68 68 PHE CA C 13 61.464 0.000 . 1 . . . . . 68 PHE CA . 27745 1 321 . 1 . 1 68 68 PHE CB C 13 40.336 0.000 . 1 . . . . . 68 PHE CB . 27745 1 322 . 1 . 1 68 68 PHE N N 15 123.700 0.021 . 1 . . . . . 68 PHE N . 27745 1 323 . 1 . 1 69 69 LEU H H 1 8.554 0.002 . 1 . . . . . 69 LEU H . 27745 1 324 . 1 . 1 69 69 LEU C C 13 179.060 0.000 . 1 . . . . . 69 LEU C . 27745 1 325 . 1 . 1 69 69 LEU CA C 13 58.039 0.000 . 1 . . . . . 69 LEU CA . 27745 1 326 . 1 . 1 69 69 LEU CB C 13 41.102 0.000 . 1 . . . . . 69 LEU CB . 27745 1 327 . 1 . 1 69 69 LEU N N 15 119.466 0.044 . 1 . . . . . 69 LEU N . 27745 1 328 . 1 . 1 70 70 THR H H 1 7.580 0.004 . 1 . . . . . 70 THR H . 27745 1 329 . 1 . 1 70 70 THR C C 13 176.200 0.000 . 1 . . . . . 70 THR C . 27745 1 330 . 1 . 1 70 70 THR CA C 13 66.489 0.000 . 1 . . . . . 70 THR CA . 27745 1 331 . 1 . 1 70 70 THR CB C 13 68.508 0.000 . 1 . . . . . 70 THR CB . 27745 1 332 . 1 . 1 70 70 THR N N 15 115.478 0.011 . 1 . . . . . 70 THR N . 27745 1 333 . 1 . 1 71 71 MET H H 1 7.639 0.004 . 1 . . . . . 71 MET H . 27745 1 334 . 1 . 1 71 71 MET C C 13 177.998 0.026 . 1 . . . . . 71 MET C . 27745 1 335 . 1 . 1 71 71 MET CA C 13 58.948 0.000 . 1 . . . . . 71 MET CA . 27745 1 336 . 1 . 1 71 71 MET CB C 13 32.749 0.000 . 1 . . . . . 71 MET CB . 27745 1 337 . 1 . 1 71 71 MET N N 15 121.328 0.010 . 1 . . . . . 71 MET N . 27745 1 338 . 1 . 1 72 72 MET H H 1 8.056 0.006 . 1 . . . . . 72 MET H . 27745 1 339 . 1 . 1 72 72 MET C C 13 178.311 0.000 . 1 . . . . . 72 MET C . 27745 1 340 . 1 . 1 72 72 MET CA C 13 56.052 0.033 . 1 . . . . . 72 MET CA . 27745 1 341 . 1 . 1 72 72 MET CB C 13 31.117 0.000 . 1 . . . . . 72 MET CB . 27745 1 342 . 1 . 1 72 72 MET N N 15 117.337 0.035 . 1 . . . . . 72 MET N . 27745 1 343 . 1 . 1 73 73 ALA H H 1 8.172 0.004 . 1 . . . . . 73 ALA H . 27745 1 344 . 1 . 1 73 73 ALA C C 13 179.771 0.016 . 1 . . . . . 73 ALA C . 27745 1 345 . 1 . 1 73 73 ALA CA C 13 54.698 0.000 . 1 . . . . . 73 ALA CA . 27745 1 346 . 1 . 1 73 73 ALA CB C 13 18.150 0.000 . 1 . . . . . 73 ALA CB . 27745 1 347 . 1 . 1 73 73 ALA N N 15 121.652 0.006 . 1 . . . . . 73 ALA N . 27745 1 348 . 1 . 1 74 74 ARG H H 1 7.512 0.004 . 1 . . . . . 74 ARG H . 27745 1 349 . 1 . 1 74 74 ARG C C 13 177.968 0.143 . 1 . . . . . 74 ARG C . 27745 1 350 . 1 . 1 74 74 ARG CA C 13 58.235 0.000 . 1 . . . . . 74 ARG CA . 27745 1 351 . 1 . 1 74 74 ARG CB C 13 30.335 0.000 . 1 . . . . . 74 ARG CB . 27745 1 352 . 1 . 1 74 74 ARG N N 15 116.666 0.011 . 1 . . . . . 74 ARG N . 27745 1 353 . 1 . 1 75 75 LYS H H 1 7.499 0.004 . 1 . . . . . 75 LYS H . 27745 1 354 . 1 . 1 75 75 LYS N N 15 118.841 0.001 . 1 . . . . . 75 LYS N . 27745 1 355 . 1 . 1 76 76 MET CA C 13 56.440 0.000 . 1 . . . . . 76 MET CA . 27745 1 356 . 1 . 1 76 76 MET CB C 13 32.365 0.000 . 1 . . . . . 76 MET CB . 27745 1 357 . 1 . 1 77 77 LYS H H 1 7.807 0.003 . 1 . . . . . 77 LYS H . 27745 1 358 . 1 . 1 77 77 LYS C C 13 176.052 0.000 . 1 . . . . . 77 LYS C . 27745 1 359 . 1 . 1 77 77 LYS CA C 13 56.622 0.082 . 1 . . . . . 77 LYS CA . 27745 1 360 . 1 . 1 77 77 LYS CB C 13 33.094 0.093 . 1 . . . . . 77 LYS CB . 27745 1 361 . 1 . 1 77 77 LYS N N 15 120.402 0.006 . 1 . . . . . 77 LYS N . 27745 1 362 . 1 . 1 78 78 ASP H H 1 8.594 0.002 . 1 . . . . . 78 ASP H . 27745 1 363 . 1 . 1 78 78 ASP C C 13 176.326 0.010 . 1 . . . . . 78 ASP C . 27745 1 364 . 1 . 1 78 78 ASP CA C 13 54.862 0.000 . 1 . . . . . 78 ASP CA . 27745 1 365 . 1 . 1 78 78 ASP CB C 13 41.176 0.000 . 1 . . . . . 78 ASP CB . 27745 1 366 . 1 . 1 78 78 ASP N N 15 122.278 0.067 . 1 . . . . . 78 ASP N . 27745 1 367 . 1 . 1 79 79 THR H H 1 8.083 0.003 . 1 . . . . . 79 THR H . 27745 1 368 . 1 . 1 79 79 THR C C 13 174.543 0.009 . 1 . . . . . 79 THR C . 27745 1 369 . 1 . 1 79 79 THR CA C 13 62.052 0.000 . 1 . . . . . 79 THR CA . 27745 1 370 . 1 . 1 79 79 THR CB C 13 69.639 0.000 . 1 . . . . . 79 THR CB . 27745 1 371 . 1 . 1 79 79 THR N N 15 113.318 0.017 . 1 . . . . . 79 THR N . 27745 1 372 . 1 . 1 80 80 ASP H H 1 8.354 0.002 . 1 . . . . . 80 ASP H . 27745 1 373 . 1 . 1 80 80 ASP C C 13 176.713 0.012 . 1 . . . . . 80 ASP C . 27745 1 374 . 1 . 1 80 80 ASP CA C 13 54.873 0.000 . 1 . . . . . 80 ASP CA . 27745 1 375 . 1 . 1 80 80 ASP CB C 13 41.297 0.000 . 1 . . . . . 80 ASP CB . 27745 1 376 . 1 . 1 80 80 ASP N N 15 122.850 0.025 . 1 . . . . . 80 ASP N . 27745 1 377 . 1 . 1 81 81 SER H H 1 8.412 0.003 . 1 . . . . . 81 SER H . 27745 1 378 . 1 . 1 81 81 SER C C 13 175.442 0.005 . 1 . . . . . 81 SER C . 27745 1 379 . 1 . 1 81 81 SER CA C 13 59.534 0.000 . 1 . . . . . 81 SER CA . 27745 1 380 . 1 . 1 81 81 SER CB C 13 63.854 0.000 . 1 . . . . . 81 SER CB . 27745 1 381 . 1 . 1 81 81 SER N N 15 116.700 0.019 . 1 . . . . . 81 SER N . 27745 1 382 . 1 . 1 82 82 GLU H H 1 8.606 0.005 . 1 . . . . . 82 GLU H . 27745 1 383 . 1 . 1 82 82 GLU C C 13 178.336 0.011 . 1 . . . . . 82 GLU C . 27745 1 384 . 1 . 1 82 82 GLU CA C 13 59.480 0.000 . 1 . . . . . 82 GLU CA . 27745 1 385 . 1 . 1 82 82 GLU CB C 13 29.491 0.000 . 1 . . . . . 82 GLU CB . 27745 1 386 . 1 . 1 82 82 GLU N N 15 122.583 0.015 . 1 . . . . . 82 GLU N . 27745 1 387 . 1 . 1 83 83 GLU H H 1 8.338 0.004 . 1 . . . . . 83 GLU H . 27745 1 388 . 1 . 1 83 83 GLU C C 13 178.621 0.021 . 1 . . . . . 83 GLU C . 27745 1 389 . 1 . 1 83 83 GLU CA C 13 59.479 0.000 . 1 . . . . . 83 GLU CA . 27745 1 390 . 1 . 1 83 83 GLU CB C 13 29.547 0.000 . 1 . . . . . 83 GLU CB . 27745 1 391 . 1 . 1 83 83 GLU N N 15 119.124 0.015 . 1 . . . . . 83 GLU N . 27745 1 392 . 1 . 1 84 84 GLU H H 1 8.071 0.005 . 1 . . . . . 84 GLU H . 27745 1 393 . 1 . 1 84 84 GLU C C 13 178.615 0.000 . 1 . . . . . 84 GLU C . 27745 1 394 . 1 . 1 84 84 GLU CA C 13 59.853 0.000 . 1 . . . . . 84 GLU CA . 27745 1 395 . 1 . 1 84 84 GLU CB C 13 29.911 0.000 . 1 . . . . . 84 GLU CB . 27745 1 396 . 1 . 1 84 84 GLU N N 15 118.984 0.059 . 1 . . . . . 84 GLU N . 27745 1 397 . 1 . 1 85 85 ILE C C 13 177.908 0.000 . 1 . . . . . 85 ILE C . 27745 1 398 . 1 . 1 85 85 ILE CA C 13 64.985 0.000 . 1 . . . . . 85 ILE CA . 27745 1 399 . 1 . 1 86 86 ARG H H 1 8.260 0.015 . 1 . . . . . 86 ARG H . 27745 1 400 . 1 . 1 86 86 ARG C C 13 179.207 0.010 . 1 . . . . . 86 ARG C . 27745 1 401 . 1 . 1 86 86 ARG CA C 13 59.963 0.000 . 1 . . . . . 86 ARG CA . 27745 1 402 . 1 . 1 86 86 ARG CB C 13 29.604 0.000 . 1 . . . . . 86 ARG CB . 27745 1 403 . 1 . 1 86 86 ARG N N 15 121.221 0.011 . 1 . . . . . 86 ARG N . 27745 1 404 . 1 . 1 87 87 GLU H H 1 8.035 0.005 . 1 . . . . . 87 GLU H . 27745 1 405 . 1 . 1 87 87 GLU C C 13 178.643 0.003 . 1 . . . . . 87 GLU C . 27745 1 406 . 1 . 1 87 87 GLU CA C 13 59.105 0.000 . 1 . . . . . 87 GLU CA . 27745 1 407 . 1 . 1 87 87 GLU CB C 13 29.576 0.000 . 1 . . . . . 87 GLU CB . 27745 1 408 . 1 . 1 87 87 GLU N N 15 118.742 0.022 . 1 . . . . . 87 GLU N . 27745 1 409 . 1 . 1 88 88 ALA H H 1 8.077 0.009 . 1 . . . . . 88 ALA H . 27745 1 410 . 1 . 1 88 88 ALA C C 13 178.867 0.010 . 1 . . . . . 88 ALA C . 27745 1 411 . 1 . 1 88 88 ALA CA C 13 55.704 0.000 . 1 . . . . . 88 ALA CA . 27745 1 412 . 1 . 1 88 88 ALA CB C 13 16.893 0.037 . 1 . . . . . 88 ALA CB . 27745 1 413 . 1 . 1 88 88 ALA N N 15 122.022 0.011 . 1 . . . . . 88 ALA N . 27745 1 414 . 1 . 1 89 89 PHE H H 1 8.483 0.005 . 1 . . . . . 89 PHE H . 27745 1 415 . 1 . 1 89 89 PHE C C 13 176.191 0.055 . 1 . . . . . 89 PHE C . 27745 1 416 . 1 . 1 89 89 PHE CA C 13 55.464 0.000 . 1 . . . . . 89 PHE CA . 27745 1 417 . 1 . 1 89 89 PHE CB C 13 38.858 0.000 . 1 . . . . . 89 PHE CB . 27745 1 418 . 1 . 1 89 89 PHE N N 15 118.589 0.041 . 1 . . . . . 89 PHE N . 27745 1 419 . 1 . 1 90 90 ARG H H 1 7.434 0.003 . 1 . . . . . 90 ARG H . 27745 1 420 . 1 . 1 90 90 ARG C C 13 178.012 0.000 . 1 . . . . . 90 ARG C . 27745 1 421 . 1 . 1 90 90 ARG CA C 13 58.634 0.000 . 1 . . . . . 90 ARG CA . 27745 1 422 . 1 . 1 90 90 ARG N N 15 114.650 0.006 . 1 . . . . . 90 ARG N . 27745 1 423 . 1 . 1 91 91 VAL H H 1 7.390 0.006 . 1 . . . . . 91 VAL H . 27745 1 424 . 1 . 1 91 91 VAL CA C 13 65.461 0.000 . 1 . . . . . 91 VAL CA . 27745 1 425 . 1 . 1 91 91 VAL CB C 13 31.204 0.000 . 1 . . . . . 91 VAL CB . 27745 1 426 . 1 . 1 91 91 VAL N N 15 118.826 0.004 . 1 . . . . . 91 VAL N . 27745 1 427 . 1 . 1 93 93 ASP H H 1 7.827 0.012 . 1 . . . . . 93 ASP H . 27745 1 428 . 1 . 1 93 93 ASP C C 13 177.783 0.000 . 1 . . . . . 93 ASP C . 27745 1 429 . 1 . 1 93 93 ASP CA C 13 51.818 0.129 . 1 . . . . . 93 ASP CA . 27745 1 430 . 1 . 1 93 93 ASP CB C 13 38.168 0.077 . 1 . . . . . 93 ASP CB . 27745 1 431 . 1 . 1 93 93 ASP N N 15 115.831 0.004 . 1 . . . . . 93 ASP N . 27745 1 432 . 1 . 1 94 94 LYS H H 1 7.511 0.006 . 1 . . . . . 94 LYS H . 27745 1 433 . 1 . 1 94 94 LYS C C 13 178.211 0.000 . 1 . . . . . 94 LYS C . 27745 1 434 . 1 . 1 94 94 LYS CA C 13 59.229 0.000 . 1 . . . . . 94 LYS CA . 27745 1 435 . 1 . 1 94 94 LYS CB C 13 32.852 0.000 . 1 . . . . . 94 LYS CB . 27745 1 436 . 1 . 1 94 94 LYS N N 15 125.645 0.011 . 1 . . . . . 94 LYS N . 27745 1 437 . 1 . 1 95 95 ASP H H 1 8.325 0.005 . 1 . . . . . 95 ASP H . 27745 1 438 . 1 . 1 95 95 ASP C C 13 177.761 0.025 . 1 . . . . . 95 ASP C . 27745 1 439 . 1 . 1 95 95 ASP CA C 13 53.159 0.000 . 1 . . . . . 95 ASP CA . 27745 1 440 . 1 . 1 95 95 ASP CB C 13 39.787 0.000 . 1 . . . . . 95 ASP CB . 27745 1 441 . 1 . 1 95 95 ASP N N 15 114.023 0.008 . 1 . . . . . 95 ASP N . 27745 1 442 . 1 . 1 96 96 GLY H H 1 7.835 0.007 . 1 . . . . . 96 GLY H . 27745 1 443 . 1 . 1 96 96 GLY C C 13 175.137 0.051 . 1 . . . . . 96 GLY C . 27745 1 444 . 1 . 1 96 96 GLY CA C 13 47.203 0.000 . 1 . . . . . 96 GLY CA . 27745 1 445 . 1 . 1 96 96 GLY N N 15 109.600 0.011 . 1 . . . . . 96 GLY N . 27745 1 446 . 1 . 1 97 97 ASN H H 1 8.350 0.002 . 1 . . . . . 97 ASN H . 27745 1 447 . 1 . 1 97 97 ASN C C 13 176.041 0.010 . 1 . . . . . 97 ASN C . 27745 1 448 . 1 . 1 97 97 ASN CA C 13 52.737 0.000 . 1 . . . . . 97 ASN CA . 27745 1 449 . 1 . 1 97 97 ASN CB C 13 38.233 0.000 . 1 . . . . . 97 ASN CB . 27745 1 450 . 1 . 1 97 97 ASN N N 15 119.882 0.022 . 1 . . . . . 97 ASN N . 27745 1 451 . 1 . 1 98 98 GLY H H 1 10.700 0.003 . 1 . . . . . 98 GLY H . 27745 1 452 . 1 . 1 98 98 GLY C C 13 172.475 0.007 . 1 . . . . . 98 GLY C . 27745 1 453 . 1 . 1 98 98 GLY CA C 13 45.032 0.000 . 1 . . . . . 98 GLY CA . 27745 1 454 . 1 . 1 98 98 GLY N N 15 113.103 0.019 . 1 . . . . . 98 GLY N . 27745 1 455 . 1 . 1 99 99 TYR H H 1 7.633 0.003 . 1 . . . . . 99 TYR H . 27745 1 456 . 1 . 1 99 99 TYR C C 13 174.588 0.015 . 1 . . . . . 99 TYR C . 27745 1 457 . 1 . 1 99 99 TYR CA C 13 56.159 0.000 . 1 . . . . . 99 TYR CA . 27745 1 458 . 1 . 1 99 99 TYR CB C 13 43.128 0.000 . 1 . . . . . 99 TYR CB . 27745 1 459 . 1 . 1 99 99 TYR N N 15 116.212 0.036 . 1 . . . . . 99 TYR N . 27745 1 460 . 1 . 1 100 100 ILE H H 1 10.148 0.004 . 1 . . . . . 100 ILE H . 27745 1 461 . 1 . 1 100 100 ILE C C 13 175.541 0.003 . 1 . . . . . 100 ILE C . 27745 1 462 . 1 . 1 100 100 ILE CA C 13 61.008 0.000 . 1 . . . . . 100 ILE CA . 27745 1 463 . 1 . 1 100 100 ILE CB C 13 43.061 0.000 . 1 . . . . . 100 ILE CB . 27745 1 464 . 1 . 1 100 100 ILE N N 15 127.435 0.047 . 1 . . . . . 100 ILE N . 27745 1 465 . 1 . 1 101 101 SER H H 1 8.901 0.007 . 1 . . . . . 101 SER H . 27745 1 466 . 1 . 1 101 101 SER C C 13 175.174 0.023 . 1 . . . . . 101 SER C . 27745 1 467 . 1 . 1 101 101 SER CA C 13 60.803 0.000 . 1 . . . . . 101 SER CA . 27745 1 468 . 1 . 1 101 101 SER CB C 13 66.710 0.014 . 1 . . . . . 101 SER CB . 27745 1 469 . 1 . 1 101 101 SER N N 15 123.843 0.017 . 1 . . . . . 101 SER N . 27745 1 470 . 1 . 1 102 102 ALA H H 1 9.303 0.003 . 1 . . . . . 102 ALA H . 27745 1 471 . 1 . 1 102 102 ALA C C 13 179.311 0.011 . 1 . . . . . 102 ALA C . 27745 1 472 . 1 . 1 102 102 ALA CA C 13 55.622 0.000 . 1 . . . . . 102 ALA CA . 27745 1 473 . 1 . 1 102 102 ALA CB C 13 18.070 0.000 . 1 . . . . . 102 ALA CB . 27745 1 474 . 1 . 1 102 102 ALA N N 15 123.261 0.013 . 1 . . . . . 102 ALA N . 27745 1 475 . 1 . 1 103 103 ALA H H 1 8.297 0.004 . 1 . . . . . 103 ALA H . 27745 1 476 . 1 . 1 103 103 ALA C C 13 181.535 0.019 . 1 . . . . . 103 ALA C . 27745 1 477 . 1 . 1 103 103 ALA CA C 13 56.145 0.000 . 1 . . . . . 103 ALA CA . 27745 1 478 . 1 . 1 103 103 ALA CB C 13 18.006 0.000 . 1 . . . . . 103 ALA CB . 27745 1 479 . 1 . 1 103 103 ALA N N 15 118.502 0.008 . 1 . . . . . 103 ALA N . 27745 1 480 . 1 . 1 104 104 GLU H H 1 7.906 0.004 . 1 . . . . . 104 GLU H . 27745 1 481 . 1 . 1 104 104 GLU C C 13 178.310 0.020 . 1 . . . . . 104 GLU C . 27745 1 482 . 1 . 1 104 104 GLU CA C 13 55.197 0.000 . 1 . . . . . 104 GLU CA . 27745 1 483 . 1 . 1 104 104 GLU CB C 13 29.339 0.000 . 1 . . . . . 104 GLU CB . 27745 1 484 . 1 . 1 104 104 GLU N N 15 119.966 0.014 . 1 . . . . . 104 GLU N . 27745 1 485 . 1 . 1 105 105 LEU H H 1 8.594 0.002 . 1 . . . . . 105 LEU H . 27745 1 486 . 1 . 1 105 105 LEU C C 13 178.543 0.000 . 1 . . . . . 105 LEU C . 27745 1 487 . 1 . 1 105 105 LEU CA C 13 58.590 0.013 . 1 . . . . . 105 LEU CA . 27745 1 488 . 1 . 1 105 105 LEU CB C 13 41.994 0.000 . 1 . . . . . 105 LEU CB . 27745 1 489 . 1 . 1 105 105 LEU N N 15 119.745 0.010 . 1 . . . . . 105 LEU N . 27745 1 490 . 1 . 1 106 106 ARG H H 1 8.696 0.007 . 1 . . . . . 106 ARG H . 27745 1 491 . 1 . 1 106 106 ARG C C 13 178.884 0.000 . 1 . . . . . 106 ARG C . 27745 1 492 . 1 . 1 106 106 ARG CA C 13 60.089 0.000 . 1 . . . . . 106 ARG CA . 27745 1 493 . 1 . 1 106 106 ARG CB C 13 31.062 0.008 . 1 . . . . . 106 ARG CB . 27745 1 494 . 1 . 1 106 106 ARG N N 15 116.904 0.042 . 1 . . . . . 106 ARG N . 27745 1 495 . 1 . 1 107 107 HIS H H 1 8.046 0.005 . 1 . . . . . 107 HIS H . 27745 1 496 . 1 . 1 107 107 HIS CA C 13 60.160 0.000 . 1 . . . . . 107 HIS CA . 27745 1 497 . 1 . 1 107 107 HIS CB C 13 31.020 0.000 . 1 . . . . . 107 HIS CB . 27745 1 498 . 1 . 1 107 107 HIS N N 15 119.688 0.009 . 1 . . . . . 107 HIS N . 27745 1 499 . 1 . 1 111 111 ASN C C 13 177.836 0.000 . 1 . . . . . 111 ASN C . 27745 1 500 . 1 . 1 111 111 ASN CA C 13 57.302 0.000 . 1 . . . . . 111 ASN CA . 27745 1 501 . 1 . 1 112 112 LEU H H 1 7.922 0.008 . 1 . . . . . 112 LEU H . 27745 1 502 . 1 . 1 112 112 LEU C C 13 176.563 0.037 . 1 . . . . . 112 LEU C . 27745 1 503 . 1 . 1 112 112 LEU CA C 13 54.763 0.000 . 1 . . . . . 112 LEU CA . 27745 1 504 . 1 . 1 112 112 LEU N N 15 118.575 0.026 . 1 . . . . . 112 LEU N . 27745 1 505 . 1 . 1 113 113 GLY H H 1 7.648 0.004 . 1 . . . . . 113 GLY H . 27745 1 506 . 1 . 1 113 113 GLY C C 13 174.233 0.051 . 1 . . . . . 113 GLY C . 27745 1 507 . 1 . 1 113 113 GLY CA C 13 46.082 0.000 . 1 . . . . . 113 GLY CA . 27745 1 508 . 1 . 1 113 113 GLY N N 15 105.843 0.002 . 1 . . . . . 113 GLY N . 27745 1 509 . 1 . 1 114 114 GLU H H 1 8.148 0.007 . 1 . . . . . 114 GLU H . 27745 1 510 . 1 . 1 114 114 GLU C C 13 176.369 0.000 . 1 . . . . . 114 GLU C . 27745 1 511 . 1 . 1 114 114 GLU CA C 13 54.651 0.000 . 1 . . . . . 114 GLU CA . 27745 1 512 . 1 . 1 114 114 GLU CB C 13 30.754 0.000 . 1 . . . . . 114 GLU CB . 27745 1 513 . 1 . 1 114 114 GLU N N 15 120.612 0.010 . 1 . . . . . 114 GLU N . 27745 1 514 . 1 . 1 115 115 LYS H H 1 8.669 0.001 . 1 . . . . . 115 LYS H . 27745 1 515 . 1 . 1 115 115 LYS C C 13 175.471 0.037 . 1 . . . . . 115 LYS C . 27745 1 516 . 1 . 1 115 115 LYS CA C 13 55.842 0.000 . 1 . . . . . 115 LYS CA . 27745 1 517 . 1 . 1 115 115 LYS CB C 13 32.723 0.000 . 1 . . . . . 115 LYS CB . 27745 1 518 . 1 . 1 115 115 LYS N N 15 125.167 0.030 . 1 . . . . . 115 LYS N . 27745 1 519 . 1 . 1 116 116 LEU H H 1 8.160 0.003 . 1 . . . . . 116 LEU H . 27745 1 520 . 1 . 1 116 116 LEU C C 13 177.854 0.098 . 1 . . . . . 116 LEU C . 27745 1 521 . 1 . 1 116 116 LEU CA C 13 53.865 0.000 . 1 . . . . . 116 LEU CA . 27745 1 522 . 1 . 1 116 116 LEU CB C 13 45.295 0.000 . 1 . . . . . 116 LEU CB . 27745 1 523 . 1 . 1 116 116 LEU N N 15 125.595 0.008 . 1 . . . . . 116 LEU N . 27745 1 524 . 1 . 1 117 117 THR H H 1 9.338 0.002 . 1 . . . . . 117 THR H . 27745 1 525 . 1 . 1 117 117 THR C C 13 175.460 0.011 . 1 . . . . . 117 THR C . 27745 1 526 . 1 . 1 117 117 THR CA C 13 60.722 0.009 . 1 . . . . . 117 THR CA . 27745 1 527 . 1 . 1 117 117 THR CB C 13 71.187 0.000 . 1 . . . . . 117 THR CB . 27745 1 528 . 1 . 1 117 117 THR N N 15 114.761 0.012 . 1 . . . . . 117 THR N . 27745 1 529 . 1 . 1 118 118 ASP H H 1 8.915 0.002 . 1 . . . . . 118 ASP H . 27745 1 530 . 1 . 1 118 118 ASP C C 13 178.572 0.002 . 1 . . . . . 118 ASP C . 27745 1 531 . 1 . 1 118 118 ASP CA C 13 58.154 0.025 . 1 . . . . . 118 ASP CA . 27745 1 532 . 1 . 1 118 118 ASP CB C 13 39.729 0.000 . 1 . . . . . 118 ASP CB . 27745 1 533 . 1 . 1 118 118 ASP N N 15 121.005 0.014 . 1 . . . . . 118 ASP N . 27745 1 534 . 1 . 1 119 119 GLU H H 1 8.665 0.003 . 1 . . . . . 119 GLU H . 27745 1 535 . 1 . 1 119 119 GLU C C 13 179.238 0.011 . 1 . . . . . 119 GLU C . 27745 1 536 . 1 . 1 119 119 GLU CA C 13 60.024 0.000 . 1 . . . . . 119 GLU CA . 27745 1 537 . 1 . 1 119 119 GLU CB C 13 29.194 0.000 . 1 . . . . . 119 GLU CB . 27745 1 538 . 1 . 1 119 119 GLU N N 15 119.157 0.087 . 1 . . . . . 119 GLU N . 27745 1 539 . 1 . 1 120 120 GLU H H 1 8.592 0.000 . 1 . . . . . 120 GLU H . 27745 1 540 . 1 . 1 120 120 GLU C C 13 179.878 0.015 . 1 . . . . . 120 GLU C . 27745 1 541 . 1 . 1 120 120 GLU CA C 13 59.411 0.000 . 1 . . . . . 120 GLU CA . 27745 1 542 . 1 . 1 120 120 GLU CB C 13 29.332 0.000 . 1 . . . . . 120 GLU CB . 27745 1 543 . 1 . 1 120 120 GLU N N 15 120.674 0.003 . 1 . . . . . 120 GLU N . 27745 1 544 . 1 . 1 121 121 VAL H H 1 8.072 0.004 . 1 . . . . . 121 VAL H . 27745 1 545 . 1 . 1 121 121 VAL C C 13 177.340 0.009 . 1 . . . . . 121 VAL C . 27745 1 546 . 1 . 1 121 121 VAL CA C 13 66.998 0.000 . 1 . . . . . 121 VAL CA . 27745 1 547 . 1 . 1 121 121 VAL CB C 13 31.578 0.000 . 1 . . . . . 121 VAL CB . 27745 1 548 . 1 . 1 121 121 VAL N N 15 120.304 0.006 . 1 . . . . . 121 VAL N . 27745 1 549 . 1 . 1 122 122 ASP H H 1 8.097 0.003 . 1 . . . . . 122 ASP H . 27745 1 550 . 1 . 1 122 122 ASP C C 13 179.297 0.061 . 1 . . . . . 122 ASP C . 27745 1 551 . 1 . 1 122 122 ASP CA C 13 57.782 0.000 . 1 . . . . . 122 ASP CA . 27745 1 552 . 1 . 1 122 122 ASP CB C 13 40.566 0.000 . 1 . . . . . 122 ASP CB . 27745 1 553 . 1 . 1 122 122 ASP N N 15 119.770 0.034 . 1 . . . . . 122 ASP N . 27745 1 554 . 1 . 1 123 123 GLU H H 1 7.977 0.005 . 1 . . . . . 123 GLU H . 27745 1 555 . 1 . 1 123 123 GLU C C 13 178.088 0.004 . 1 . . . . . 123 GLU C . 27745 1 556 . 1 . 1 123 123 GLU CA C 13 59.319 0.000 . 1 . . . . . 123 GLU CA . 27745 1 557 . 1 . 1 123 123 GLU CB C 13 29.489 0.000 . 1 . . . . . 123 GLU CB . 27745 1 558 . 1 . 1 123 123 GLU N N 15 119.577 0.016 . 1 . . . . . 123 GLU N . 27745 1 559 . 1 . 1 124 124 MET H H 1 7.847 0.002 . 1 . . . . . 124 MET H . 27745 1 560 . 1 . 1 124 124 MET C C 13 179.010 0.003 . 1 . . . . . 124 MET C . 27745 1 561 . 1 . 1 124 124 MET CA C 13 59.508 0.000 . 1 . . . . . 124 MET CA . 27745 1 562 . 1 . 1 124 124 MET CB C 13 33.448 0.000 . 1 . . . . . 124 MET CB . 27745 1 563 . 1 . 1 124 124 MET N N 15 119.660 0.003 . 1 . . . . . 124 MET N . 27745 1 564 . 1 . 1 125 125 ILE H H 1 7.958 0.004 . 1 . . . . . 125 ILE H . 27745 1 565 . 1 . 1 125 125 ILE C C 13 177.131 0.003 . 1 . . . . . 125 ILE C . 27745 1 566 . 1 . 1 125 125 ILE CA C 13 63.574 0.000 . 1 . . . . . 125 ILE CA . 27745 1 567 . 1 . 1 125 125 ILE CB C 13 36.105 0.000 . 1 . . . . . 125 ILE CB . 27745 1 568 . 1 . 1 125 125 ILE N N 15 117.982 0.058 . 1 . . . . . 125 ILE N . 27745 1 569 . 1 . 1 126 126 ARG H H 1 8.224 0.003 . 1 . . . . . 126 ARG H . 27745 1 570 . 1 . 1 126 126 ARG C C 13 179.366 0.006 . 1 . . . . . 126 ARG C . 27745 1 571 . 1 . 1 126 126 ARG CA C 13 59.867 0.000 . 1 . . . . . 126 ARG CA . 27745 1 572 . 1 . 1 126 126 ARG CB C 13 30.298 0.000 . 1 . . . . . 126 ARG CB . 27745 1 573 . 1 . 1 126 126 ARG N N 15 118.134 0.017 . 1 . . . . . 126 ARG N . 27745 1 574 . 1 . 1 127 127 GLU H H 1 7.976 0.003 . 1 . . . . . 127 GLU H . 27745 1 575 . 1 . 1 127 127 GLU C C 13 177.325 0.015 . 1 . . . . . 127 GLU C . 27745 1 576 . 1 . 1 127 127 GLU CA C 13 59.944 0.000 . 1 . . . . . 127 GLU CA . 27745 1 577 . 1 . 1 127 127 GLU CB C 13 29.695 0.000 . 1 . . . . . 127 GLU CB . 27745 1 578 . 1 . 1 127 127 GLU N N 15 116.267 0.015 . 1 . . . . . 127 GLU N . 27745 1 579 . 1 . 1 128 128 ALA H H 1 7.290 0.008 . 1 . . . . . 128 ALA H . 27745 1 580 . 1 . 1 128 128 ALA C C 13 177.909 0.008 . 1 . . . . . 128 ALA C . 27745 1 581 . 1 . 1 128 128 ALA CA C 13 52.119 0.000 . 1 . . . . . 128 ALA CA . 27745 1 582 . 1 . 1 128 128 ALA CB C 13 21.194 0.000 . 1 . . . . . 128 ALA CB . 27745 1 583 . 1 . 1 128 128 ALA N N 15 118.859 0.005 . 1 . . . . . 128 ALA N . 27745 1 584 . 1 . 1 129 129 ASP H H 1 7.891 0.003 . 1 . . . . . 129 ASP H . 27745 1 585 . 1 . 1 129 129 ASP C C 13 175.978 0.011 . 1 . . . . . 129 ASP C . 27745 1 586 . 1 . 1 129 129 ASP CA C 13 52.120 0.000 . 1 . . . . . 129 ASP CA . 27745 1 587 . 1 . 1 129 129 ASP CB C 13 40.422 0.000 . 1 . . . . . 129 ASP CB . 27745 1 588 . 1 . 1 129 129 ASP N N 15 117.755 0.009 . 1 . . . . . 129 ASP N . 27745 1 589 . 1 . 1 130 130 ILE H H 1 8.367 0.003 . 1 . . . . . 130 ILE H . 27745 1 590 . 1 . 1 130 130 ILE C C 13 177.889 0.001 . 1 . . . . . 130 ILE C . 27745 1 591 . 1 . 1 130 130 ILE CA C 13 63.408 0.000 . 1 . . . . . 130 ILE CA . 27745 1 592 . 1 . 1 130 130 ILE CB C 13 38.534 0.000 . 1 . . . . . 130 ILE CB . 27745 1 593 . 1 . 1 130 130 ILE N N 15 127.927 0.009 . 1 . . . . . 130 ILE N . 27745 1 594 . 1 . 1 131 131 ASP H H 1 8.330 0.003 . 1 . . . . . 131 ASP H . 27745 1 595 . 1 . 1 131 131 ASP C C 13 178.263 0.023 . 1 . . . . . 131 ASP C . 27745 1 596 . 1 . 1 131 131 ASP CA C 13 53.900 0.053 . 1 . . . . . 131 ASP CA . 27745 1 597 . 1 . 1 131 131 ASP CB C 13 39.966 0.048 . 1 . . . . . 131 ASP CB . 27745 1 598 . 1 . 1 131 131 ASP N N 15 116.657 0.021 . 1 . . . . . 131 ASP N . 27745 1 599 . 1 . 1 132 132 GLY H H 1 7.596 0.003 . 1 . . . . . 132 GLY H . 27745 1 600 . 1 . 1 132 132 GLY C C 13 175.224 0.073 . 1 . . . . . 132 GLY C . 27745 1 601 . 1 . 1 132 132 GLY CA C 13 47.502 0.000 . 1 . . . . . 132 GLY CA . 27745 1 602 . 1 . 1 132 132 GLY N N 15 108.599 0.006 . 1 . . . . . 132 GLY N . 27745 1 603 . 1 . 1 133 133 ASP H H 1 8.340 0.002 . 1 . . . . . 133 ASP H . 27745 1 604 . 1 . 1 133 133 ASP C C 13 177.590 0.024 . 1 . . . . . 133 ASP C . 27745 1 605 . 1 . 1 133 133 ASP CA C 13 53.701 0.000 . 1 . . . . . 133 ASP CA . 27745 1 606 . 1 . 1 133 133 ASP CB C 13 40.262 0.014 . 1 . . . . . 133 ASP CB . 27745 1 607 . 1 . 1 133 133 ASP N N 15 120.925 0.007 . 1 . . . . . 133 ASP N . 27745 1 608 . 1 . 1 134 134 GLY H H 1 10.368 0.003 . 1 . . . . . 134 GLY H . 27745 1 609 . 1 . 1 134 134 GLY C C 13 172.776 0.003 . 1 . . . . . 134 GLY C . 27745 1 610 . 1 . 1 134 134 GLY CA C 13 45.770 0.015 . 1 . . . . . 134 GLY CA . 27745 1 611 . 1 . 1 134 134 GLY N N 15 112.940 0.042 . 1 . . . . . 134 GLY N . 27745 1 612 . 1 . 1 135 135 GLN H H 1 7.973 0.002 . 1 . . . . . 135 GLN H . 27745 1 613 . 1 . 1 135 135 GLN C C 13 174.664 0.000 . 1 . . . . . 135 GLN C . 27745 1 614 . 1 . 1 135 135 GLN CA C 13 53.289 0.013 . 1 . . . . . 135 GLN CA . 27745 1 615 . 1 . 1 135 135 GLN CB C 13 32.519 0.000 . 1 . . . . . 135 GLN CB . 27745 1 616 . 1 . 1 135 135 GLN N N 15 115.385 0.006 . 1 . . . . . 135 GLN N . 27745 1 617 . 1 . 1 136 136 VAL H H 1 9.166 0.004 . 1 . . . . . 136 VAL H . 27745 1 618 . 1 . 1 136 136 VAL C C 13 175.815 0.026 . 1 . . . . . 136 VAL C . 27745 1 619 . 1 . 1 136 136 VAL CA C 13 61.707 0.000 . 1 . . . . . 136 VAL CA . 27745 1 620 . 1 . 1 136 136 VAL CB C 13 33.893 0.000 . 1 . . . . . 136 VAL CB . 27745 1 621 . 1 . 1 136 136 VAL N N 15 125.507 0.016 . 1 . . . . . 136 VAL N . 27745 1 622 . 1 . 1 137 137 ASN H H 1 9.490 0.005 . 1 . . . . . 137 ASN H . 27745 1 623 . 1 . 1 137 137 ASN C C 13 174.943 0.040 . 1 . . . . . 137 ASN C . 27745 1 624 . 1 . 1 137 137 ASN CA C 13 51.175 0.000 . 1 . . . . . 137 ASN CA . 27745 1 625 . 1 . 1 137 137 ASN CB C 13 38.324 0.026 . 1 . . . . . 137 ASN CB . 27745 1 626 . 1 . 1 137 137 ASN N N 15 129.138 0.060 . 1 . . . . . 137 ASN N . 27745 1 627 . 1 . 1 138 138 TYR H H 1 8.475 0.003 . 1 . . . . . 138 TYR H . 27745 1 628 . 1 . 1 138 138 TYR C C 13 176.098 0.016 . 1 . . . . . 138 TYR C . 27745 1 629 . 1 . 1 138 138 TYR CA C 13 62.735 0.000 . 1 . . . . . 138 TYR CA . 27745 1 630 . 1 . 1 138 138 TYR CB C 13 37.728 0.096 . 1 . . . . . 138 TYR CB . 27745 1 631 . 1 . 1 138 138 TYR N N 15 118.618 0.029 . 1 . . . . . 138 TYR N . 27745 1 632 . 1 . 1 139 139 GLU H H 1 8.121 0.003 . 1 . . . . . 139 GLU H . 27745 1 633 . 1 . 1 139 139 GLU C C 13 180.599 0.010 . 1 . . . . . 139 GLU C . 27745 1 634 . 1 . 1 139 139 GLU CA C 13 60.464 0.000 . 1 . . . . . 139 GLU CA . 27745 1 635 . 1 . 1 139 139 GLU CB C 13 28.914 0.000 . 1 . . . . . 139 GLU CB . 27745 1 636 . 1 . 1 139 139 GLU N N 15 118.485 0.006 . 1 . . . . . 139 GLU N . 27745 1 637 . 1 . 1 140 140 GLU H H 1 8.762 0.003 . 1 . . . . . 140 GLU H . 27745 1 638 . 1 . 1 140 140 GLU C C 13 179.549 0.007 . 1 . . . . . 140 GLU C . 27745 1 639 . 1 . 1 140 140 GLU CA C 13 58.482 0.015 . 1 . . . . . 140 GLU CA . 27745 1 640 . 1 . 1 140 140 GLU CB C 13 29.902 0.000 . 1 . . . . . 140 GLU CB . 27745 1 641 . 1 . 1 140 140 GLU N N 15 119.821 0.007 . 1 . . . . . 140 GLU N . 27745 1 642 . 1 . 1 141 141 PHE H H 1 8.925 0.001 . 1 . . . . . 141 PHE H . 27745 1 643 . 1 . 1 141 141 PHE C C 13 176.703 0.026 . 1 . . . . . 141 PHE C . 27745 1 644 . 1 . 1 141 141 PHE CA C 13 58.520 0.000 . 1 . . . . . 141 PHE CA . 27745 1 645 . 1 . 1 141 141 PHE CB C 13 39.802 0.000 . 1 . . . . . 141 PHE CB . 27745 1 646 . 1 . 1 141 141 PHE N N 15 124.857 0.050 . 1 . . . . . 141 PHE N . 27745 1 647 . 1 . 1 142 142 VAL H H 1 8.634 0.002 . 1 . . . . . 142 VAL H . 27745 1 648 . 1 . 1 142 142 VAL C C 13 179.455 0.012 . 1 . . . . . 142 VAL C . 27745 1 649 . 1 . 1 142 142 VAL CA C 13 67.042 0.046 . 1 . . . . . 142 VAL CA . 27745 1 650 . 1 . 1 142 142 VAL CB C 13 31.547 0.038 . 1 . . . . . 142 VAL CB . 27745 1 651 . 1 . 1 142 142 VAL N N 15 119.634 0.012 . 1 . . . . . 142 VAL N . 27745 1 652 . 1 . 1 143 143 GLN H H 1 7.351 0.002 . 1 . . . . . 143 GLN H . 27745 1 653 . 1 . 1 143 143 GLN C C 13 177.817 0.002 . 1 . . . . . 143 GLN C . 27745 1 654 . 1 . 1 143 143 GLN CA C 13 58.928 0.000 . 1 . . . . . 143 GLN CA . 27745 1 655 . 1 . 1 143 143 GLN CB C 13 28.106 0.098 . 1 . . . . . 143 GLN CB . 27745 1 656 . 1 . 1 143 143 GLN N N 15 118.025 0.009 . 1 . . . . . 143 GLN N . 27745 1 657 . 1 . 1 144 144 MET H H 1 7.717 0.005 . 1 . . . . . 144 MET H . 27745 1 658 . 1 . 1 144 144 MET C C 13 177.435 0.036 . 1 . . . . . 144 MET C . 27745 1 659 . 1 . 1 144 144 MET CA C 13 58.587 0.062 . 1 . . . . . 144 MET CA . 27745 1 660 . 1 . 1 144 144 MET CB C 13 33.267 0.000 . 1 . . . . . 144 MET CB . 27745 1 661 . 1 . 1 144 144 MET N N 15 119.449 0.003 . 1 . . . . . 144 MET N . 27745 1 662 . 1 . 1 145 145 MET H H 1 7.839 0.003 . 1 . . . . . 145 MET H . 27745 1 663 . 1 . 1 145 145 MET C C 13 176.903 0.014 . 1 . . . . . 145 MET C . 27745 1 664 . 1 . 1 145 145 MET CA C 13 55.471 0.028 . 1 . . . . . 145 MET CA . 27745 1 665 . 1 . 1 145 145 MET CB C 13 31.867 0.000 . 1 . . . . . 145 MET CB . 27745 1 666 . 1 . 1 145 145 MET N N 15 114.031 0.004 . 1 . . . . . 145 MET N . 27745 1 667 . 1 . 1 146 146 THR H H 1 7.430 0.005 . 1 . . . . . 146 THR H . 27745 1 668 . 1 . 1 146 146 THR C C 13 174.180 0.009 . 1 . . . . . 146 THR C . 27745 1 669 . 1 . 1 146 146 THR CA C 13 61.781 0.000 . 1 . . . . . 146 THR CA . 27745 1 670 . 1 . 1 146 146 THR CB C 13 70.355 0.192 . 1 . . . . . 146 THR CB . 27745 1 671 . 1 . 1 146 146 THR N N 15 109.420 0.010 . 1 . . . . . 146 THR N . 27745 1 672 . 1 . 1 147 147 ALA H H 1 7.582 0.004 . 1 . . . . . 147 ALA H . 27745 1 673 . 1 . 1 147 147 ALA C C 13 176.419 0.014 . 1 . . . . . 147 ALA C . 27745 1 674 . 1 . 1 147 147 ALA CA C 13 53.122 0.000 . 1 . . . . . 147 ALA CA . 27745 1 675 . 1 . 1 147 147 ALA CB C 13 18.913 0.000 . 1 . . . . . 147 ALA CB . 27745 1 676 . 1 . 1 147 147 ALA N N 15 127.674 0.009 . 1 . . . . . 147 ALA N . 27745 1 677 . 1 . 1 148 148 LYS H H 1 7.880 0.002 . 1 . . . . . 148 LYS H . 27745 1 678 . 1 . 1 148 148 LYS C C 13 181.208 0.000 . 1 . . . . . 148 LYS C . 27745 1 679 . 1 . 1 148 148 LYS CA C 13 57.379 0.000 . 1 . . . . . 148 LYS CA . 27745 1 680 . 1 . 1 148 148 LYS CB C 13 34.109 0.000 . 1 . . . . . 148 LYS CB . 27745 1 681 . 1 . 1 148 148 LYS N N 15 125.896 0.015 . 1 . . . . . 148 LYS N . 27745 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 27745 _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' . . . 27745 2 2 '3D HNCO' . . . 27745 2 3 '3D HNCACB' . . . 27745 2 4 '3D CBCA(CO)NH' . . . 27745 2 5 '3D HN(CA)CO' . . . 27745 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 . . 27745 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 13 177.476 0.000 . 1 . . . . . -3 PRO C . 27745 2 2 . 2 . 2 2 2 PRO CA C 13 63.537 0.021 . 1 . . . . . -3 PRO CA . 27745 2 3 . 2 . 2 2 2 PRO CB C 13 32.191 0.000 . 1 . . . . . -3 PRO CB . 27745 2 4 . 2 . 2 3 3 GLY C C 13 174.229 0.023 . 1 . . . . . -2 GLY C . 27745 2 5 . 2 . 2 3 3 GLY CA C 13 45.318 0.000 . 1 . . . . . -2 GLY CA . 27745 2 6 . 2 . 2 3 3 GLY H H 1 8.657 0.004 . 1 . . . . . -2 GLY H . 27745 2 7 . 2 . 2 3 3 GLY N N 15 109.930 0.027 . 1 . . . . . -2 GLY N . 27745 2 8 . 2 . 2 4 4 SER C C 13 174.529 0.034 . 1 . . . . . -1 SER C . 27745 2 9 . 2 . 2 4 4 SER CA C 13 58.476 0.000 . 1 . . . . . -1 SER CA . 27745 2 10 . 2 . 2 4 4 SER CB C 13 63.841 0.000 . 1 . . . . . -1 SER CB . 27745 2 11 . 2 . 2 4 4 SER H H 1 8.157 0.003 . 1 . . . . . -1 SER H . 27745 2 12 . 2 . 2 4 4 SER N N 15 115.791 0.015 . 1 . . . . . -1 SER N . 27745 2 13 . 2 . 2 5 5 LYS C C 13 176.539 0.018 . 1 . . . . . 1901 LYS C . 27745 2 14 . 2 . 2 5 5 LYS CA C 13 56.414 0.000 . 1 . . . . . 1901 LYS CA . 27745 2 15 . 2 . 2 5 5 LYS CB C 13 33.032 0.000 . 1 . . . . . 1901 LYS CB . 27745 2 16 . 2 . 2 5 5 LYS H H 1 8.412 0.003 . 1 . . . . . 1901 LYS H . 27745 2 17 . 2 . 2 5 5 LYS N N 15 123.470 0.008 . 1 . . . . . 1901 LYS N . 27745 2 18 . 2 . 2 6 6 ARG C C 13 176.372 0.000 . 1 . . . . . 1902 ARG C . 27745 2 19 . 2 . 2 6 6 ARG CA C 13 56.371 0.000 . 1 . . . . . 1902 ARG CA . 27745 2 20 . 2 . 2 6 6 ARG CB C 13 31.008 0.000 . 1 . . . . . 1902 ARG CB . 27745 2 21 . 2 . 2 6 6 ARG H H 1 8.360 0.002 . 1 . . . . . 1902 ARG H . 27745 2 22 . 2 . 2 6 6 ARG N N 15 122.665 0.005 . 1 . . . . . 1902 ARG N . 27745 2 23 . 2 . 2 7 7 LYS C C 13 176.841 0.030 . 1 . . . . . 1903 LYS C . 27745 2 24 . 2 . 2 7 7 LYS CA C 13 56.157 0.000 . 1 . . . . . 1903 LYS CA . 27745 2 25 . 2 . 2 7 7 LYS CB C 13 32.988 0.000 . 1 . . . . . 1903 LYS CB . 27745 2 26 . 2 . 2 7 7 LYS H H 1 8.512 0.003 . 1 . . . . . 1903 LYS H . 27745 2 27 . 2 . 2 7 7 LYS N N 15 123.375 0.011 . 1 . . . . . 1903 LYS N . 27745 2 28 . 2 . 2 8 8 GLN C C 13 176.074 0.006 . 1 . . . . . 1904 GLN C . 27745 2 29 . 2 . 2 8 8 GLN CA C 13 57.064 0.000 . 1 . . . . . 1904 GLN CA . 27745 2 30 . 2 . 2 8 8 GLN CB C 13 30.083 0.000 . 1 . . . . . 1904 GLN CB . 27745 2 31 . 2 . 2 8 8 GLN H H 1 8.522 0.002 . 1 . . . . . 1904 GLN H . 27745 2 32 . 2 . 2 8 8 GLN N N 15 121.676 0.010 . 1 . . . . . 1904 GLN N . 27745 2 33 . 2 . 2 9 9 GLU C C 13 176.530 0.002 . 1 . . . . . 1905 GLU C . 27745 2 34 . 2 . 2 9 9 GLU CA C 13 56.736 0.000 . 1 . . . . . 1905 GLU CA . 27745 2 35 . 2 . 2 9 9 GLU CB C 13 29.246 0.000 . 1 . . . . . 1905 GLU CB . 27745 2 36 . 2 . 2 9 9 GLU H H 1 8.589 0.002 . 1 . . . . . 1905 GLU H . 27745 2 37 . 2 . 2 9 9 GLU N N 15 120.694 0.016 . 1 . . . . . 1905 GLU N . 27745 2 38 . 2 . 2 10 10 GLU C C 13 176.179 0.003 . 1 . . . . . 1906 GLU C . 27745 2 39 . 2 . 2 10 10 GLU CA C 13 56.290 0.000 . 1 . . . . . 1906 GLU CA . 27745 2 40 . 2 . 2 10 10 GLU CB C 13 30.844 0.000 . 1 . . . . . 1906 GLU CB . 27745 2 41 . 2 . 2 10 10 GLU H H 1 8.155 0.003 . 1 . . . . . 1906 GLU H . 27745 2 42 . 2 . 2 10 10 GLU N N 15 120.895 0.062 . 1 . . . . . 1906 GLU N . 27745 2 43 . 2 . 2 11 11 VAL C C 13 177.232 0.000 . 1 . . . . . 1907 VAL C . 27745 2 44 . 2 . 2 11 11 VAL CA C 13 62.626 0.000 . 1 . . . . . 1907 VAL CA . 27745 2 45 . 2 . 2 11 11 VAL CB C 13 32.566 0.000 . 1 . . . . . 1907 VAL CB . 27745 2 46 . 2 . 2 11 11 VAL H H 1 8.080 0.006 . 1 . . . . . 1907 VAL H . 27745 2 47 . 2 . 2 11 11 VAL N N 15 119.301 0.043 . 1 . . . . . 1907 VAL N . 27745 2 48 . 2 . 2 24 24 LEU C C 13 180.132 0.000 . 1 . . . . . 1920 LEU C . 27745 2 49 . 2 . 2 24 24 LEU CA C 13 55.036 0.000 . 1 . . . . . 1920 LEU CA . 27745 2 50 . 2 . 2 25 25 LEU C C 13 178.934 0.014 . 1 . . . . . 1921 LEU C . 27745 2 51 . 2 . 2 25 25 LEU CA C 13 57.264 0.000 . 1 . . . . . 1921 LEU CA . 27745 2 52 . 2 . 2 25 25 LEU CB C 13 42.031 0.000 . 1 . . . . . 1921 LEU CB . 27745 2 53 . 2 . 2 25 25 LEU H H 1 7.665 0.004 . 1 . . . . . 1921 LEU H . 27745 2 54 . 2 . 2 25 25 LEU N N 15 118.825 0.023 . 1 . . . . . 1921 LEU N . 27745 2 55 . 2 . 2 26 26 LYS C C 13 177.840 0.000 . 1 . . . . . 1922 LYS C . 27745 2 56 . 2 . 2 26 26 LYS CA C 13 57.899 0.000 . 1 . . . . . 1922 LYS CA . 27745 2 57 . 2 . 2 26 26 LYS H H 1 7.630 0.005 . 1 . . . . . 1922 LYS H . 27745 2 58 . 2 . 2 26 26 LYS N N 15 118.228 0.005 . 1 . . . . . 1922 LYS N . 27745 2 59 . 2 . 2 27 27 GLN C C 13 176.577 0.000 . 1 . . . . . 1923 GLN C . 27745 2 60 . 2 . 2 27 27 GLN CA C 13 58.880 0.000 . 1 . . . . . 1923 GLN CA . 27745 2 61 . 2 . 2 27 27 GLN CB C 13 28.091 0.000 . 1 . . . . . 1923 GLN CB . 27745 2 62 . 2 . 2 27 27 GLN H H 1 7.573 0.000 . 1 . . . . . 1923 GLN H . 27745 2 63 . 2 . 2 27 27 GLN N N 15 117.745 0.000 . 1 . . . . . 1923 GLN N . 27745 2 64 . 2 . 2 28 28 LYS C C 13 176.619 0.000 . 1 . . . . . 1924 LYS C . 27745 2 65 . 2 . 2 28 28 LYS CA C 13 56.758 0.012 . 1 . . . . . 1924 LYS CA . 27745 2 66 . 2 . 2 28 28 LYS CB C 13 32.942 0.000 . 1 . . . . . 1924 LYS CB . 27745 2 67 . 2 . 2 28 28 LYS H H 1 7.720 0.007 . 1 . . . . . 1924 LYS H . 27745 2 68 . 2 . 2 28 28 LYS N N 15 119.810 0.024 . 1 . . . . . 1924 LYS N . 27745 2 69 . 2 . 2 29 29 VAL C C 13 175.729 0.000 . 1 . . . . . 1925 VAL C . 27745 2 70 . 2 . 2 29 29 VAL CA C 13 62.669 0.000 . 1 . . . . . 1925 VAL CA . 27745 2 71 . 2 . 2 29 29 VAL CB C 13 32.632 0.000 . 1 . . . . . 1925 VAL CB . 27745 2 72 . 2 . 2 29 29 VAL H H 1 7.771 0.006 . 1 . . . . . 1925 VAL H . 27745 2 73 . 2 . 2 29 29 VAL N N 15 119.795 0.066 . 1 . . . . . 1925 VAL N . 27745 2 74 . 2 . 2 30 30 LYS C C 13 175.359 0.024 . 1 . . . . . 1926 LYS C . 27745 2 75 . 2 . 2 30 30 LYS CA C 13 56.263 0.000 . 1 . . . . . 1926 LYS CA . 27745 2 76 . 2 . 2 30 30 LYS CB C 13 33.047 0.000 . 1 . . . . . 1926 LYS CB . 27745 2 77 . 2 . 2 30 30 LYS H H 1 8.201 0.001 . 1 . . . . . 1926 LYS H . 27745 2 78 . 2 . 2 30 30 LYS N N 15 125.778 0.060 . 1 . . . . . 1926 LYS N . 27745 2 79 . 2 . 2 31 31 LYS C C 13 175.324 0.000 . 1 . . . . . 1927 LYS C . 27745 2 80 . 2 . 2 31 31 LYS CA C 13 57.918 0.000 . 1 . . . . . 1927 LYS CA . 27745 2 81 . 2 . 2 31 31 LYS CB C 13 33.741 0.000 . 1 . . . . . 1927 LYS CB . 27745 2 82 . 2 . 2 31 31 LYS H H 1 7.979 0.002 . 1 . . . . . 1927 LYS H . 27745 2 83 . 2 . 2 31 31 LYS N N 15 128.718 0.015 . 1 . . . . . 1927 LYS N . 27745 2 stop_ save_