data_27945 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27945 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Free Cellular Retinoic Acid Binding Protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-17 _Entry.Accession_date 2019-06-17 _Entry.Last_release_date 2019-06-17 _Entry.Original_release_date 2019-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 'Free Cellular Retinoic Acid Binding Protein 2 (Homo sapiens)' _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 Carolina Lixa . L.V. . . 27945 2 Anwar Iqbal . . . . 27945 3 Fabio Almeida . C.L. . . 27945 4 Anderson Pinheiro . S. . . 27945 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Federal University of Rio de Janeiro' . 27945 2 . 'University of Arizona' . 27945 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27945 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 27945 '15N chemical shifts' 119 27945 '1H chemical shifts' 119 27945 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 1 . . 2019-11-08 . original BMRB . 27945 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27946 'RA-bound CRABP2 monomer' 27945 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27945 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31566355 _Citation.Full_citation . _Citation.Title ; Retinoic Acid Binding Leads to CRABP2 Rigidification and Dimerization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 58 _Citation.Journal_issue 41 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 4183 _Citation.Page_last 4194 _Citation.Year 2019 _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 Carolina Lixa C. . . . 27945 1 2 Michael Clarkson M. W. . . 27945 1 3 Anwar Iqbal A. . . . 27945 1 4 Thomas Moon T. M. . . 27945 1 5 Fabio Almeida . . . . 27945 1 6 Wolfgang Peti W. . . . 27945 1 7 Anderson Pinheiro A. S. . . 27945 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CRABP2 27945 1 NMR 27945 1 dynamics 27945 1 iLBP 27945 1 'retinoic acid' 27945 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27945 _Assembly.ID 1 _Assembly.Name 'CRABP2 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'CRABP2 monomer' 1 $CRABP2 A . yes native no no . . . 27945 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRABP2 _Entity.Sf_category entity _Entity.Sf_framecode CRABP2 _Entity.Entry_ID 27945 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CRABP2 _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 ; GHMPNFSGNWKIIRSENFEE LLKVLGVNVMLRKIAVAAAS KPAVEIKQEGDTFYIKTSTT VRTTEINFKVGEEFEEQTVD GRPCKSLVKWESENKMVCEQ KLLKGEGPKTSWTRELTNDG ELILTMTADDVVCTRVYVRE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Retinoic acid transportation' 27945 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 -2 GLY . 27945 1 2 -1 HIS . 27945 1 3 0 MET . 27945 1 4 1 PRO . 27945 1 5 2 ASN . 27945 1 6 3 PHE . 27945 1 7 4 SER . 27945 1 8 5 GLY . 27945 1 9 6 ASN . 27945 1 10 7 TRP . 27945 1 11 8 LYS . 27945 1 12 9 ILE . 27945 1 13 10 ILE . 27945 1 14 11 ARG . 27945 1 15 12 SER . 27945 1 16 13 GLU . 27945 1 17 14 ASN . 27945 1 18 15 PHE . 27945 1 19 16 GLU . 27945 1 20 17 GLU . 27945 1 21 18 LEU . 27945 1 22 19 LEU . 27945 1 23 20 LYS . 27945 1 24 21 VAL . 27945 1 25 22 LEU . 27945 1 26 23 GLY . 27945 1 27 24 VAL . 27945 1 28 25 ASN . 27945 1 29 26 VAL . 27945 1 30 27 MET . 27945 1 31 28 LEU . 27945 1 32 29 ARG . 27945 1 33 30 LYS . 27945 1 34 31 ILE . 27945 1 35 32 ALA . 27945 1 36 33 VAL . 27945 1 37 34 ALA . 27945 1 38 35 ALA . 27945 1 39 36 ALA . 27945 1 40 37 SER . 27945 1 41 38 LYS . 27945 1 42 39 PRO . 27945 1 43 40 ALA . 27945 1 44 41 VAL . 27945 1 45 42 GLU . 27945 1 46 43 ILE . 27945 1 47 44 LYS . 27945 1 48 45 GLN . 27945 1 49 46 GLU . 27945 1 50 47 GLY . 27945 1 51 48 ASP . 27945 1 52 49 THR . 27945 1 53 50 PHE . 27945 1 54 51 TYR . 27945 1 55 52 ILE . 27945 1 56 53 LYS . 27945 1 57 54 THR . 27945 1 58 55 SER . 27945 1 59 56 THR . 27945 1 60 57 THR . 27945 1 61 58 VAL . 27945 1 62 59 ARG . 27945 1 63 60 THR . 27945 1 64 61 THR . 27945 1 65 62 GLU . 27945 1 66 63 ILE . 27945 1 67 64 ASN . 27945 1 68 65 PHE . 27945 1 69 66 LYS . 27945 1 70 67 VAL . 27945 1 71 68 GLY . 27945 1 72 69 GLU . 27945 1 73 70 GLU . 27945 1 74 71 PHE . 27945 1 75 72 GLU . 27945 1 76 73 GLU . 27945 1 77 74 GLN . 27945 1 78 75 THR . 27945 1 79 76 VAL . 27945 1 80 77 ASP . 27945 1 81 78 GLY . 27945 1 82 79 ARG . 27945 1 83 80 PRO . 27945 1 84 81 CYS . 27945 1 85 82 LYS . 27945 1 86 83 SER . 27945 1 87 84 LEU . 27945 1 88 85 VAL . 27945 1 89 86 LYS . 27945 1 90 87 TRP . 27945 1 91 88 GLU . 27945 1 92 89 SER . 27945 1 93 90 GLU . 27945 1 94 91 ASN . 27945 1 95 92 LYS . 27945 1 96 93 MET . 27945 1 97 94 VAL . 27945 1 98 95 CYS . 27945 1 99 96 GLU . 27945 1 100 97 GLN . 27945 1 101 98 LYS . 27945 1 102 99 LEU . 27945 1 103 100 LEU . 27945 1 104 101 LYS . 27945 1 105 102 GLY . 27945 1 106 103 GLU . 27945 1 107 104 GLY . 27945 1 108 105 PRO . 27945 1 109 106 LYS . 27945 1 110 107 THR . 27945 1 111 108 SER . 27945 1 112 109 TRP . 27945 1 113 110 THR . 27945 1 114 111 ARG . 27945 1 115 112 GLU . 27945 1 116 113 LEU . 27945 1 117 114 THR . 27945 1 118 115 ASN . 27945 1 119 116 ASP . 27945 1 120 117 GLY . 27945 1 121 118 GLU . 27945 1 122 119 LEU . 27945 1 123 120 ILE . 27945 1 124 121 LEU . 27945 1 125 122 THR . 27945 1 126 123 MET . 27945 1 127 124 THR . 27945 1 128 125 ALA . 27945 1 129 126 ASP . 27945 1 130 127 ASP . 27945 1 131 128 VAL . 27945 1 132 129 VAL . 27945 1 133 130 CYS . 27945 1 134 131 THR . 27945 1 135 132 ARG . 27945 1 136 133 VAL . 27945 1 137 134 TYR . 27945 1 138 135 VAL . 27945 1 139 136 ARG . 27945 1 140 137 GLU . 27945 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 . GLY 1 1 27945 1 . HIS 2 2 27945 1 . MET 3 3 27945 1 . PRO 4 4 27945 1 . ASN 5 5 27945 1 . PHE 6 6 27945 1 . SER 7 7 27945 1 . GLY 8 8 27945 1 . ASN 9 9 27945 1 . TRP 10 10 27945 1 . LYS 11 11 27945 1 . ILE 12 12 27945 1 . ILE 13 13 27945 1 . ARG 14 14 27945 1 . SER 15 15 27945 1 . GLU 16 16 27945 1 . ASN 17 17 27945 1 . PHE 18 18 27945 1 . GLU 19 19 27945 1 . GLU 20 20 27945 1 . LEU 21 21 27945 1 . LEU 22 22 27945 1 . LYS 23 23 27945 1 . VAL 24 24 27945 1 . LEU 25 25 27945 1 . GLY 26 26 27945 1 . VAL 27 27 27945 1 . ASN 28 28 27945 1 . VAL 29 29 27945 1 . MET 30 30 27945 1 . LEU 31 31 27945 1 . ARG 32 32 27945 1 . LYS 33 33 27945 1 . ILE 34 34 27945 1 . ALA 35 35 27945 1 . VAL 36 36 27945 1 . ALA 37 37 27945 1 . ALA 38 38 27945 1 . ALA 39 39 27945 1 . SER 40 40 27945 1 . LYS 41 41 27945 1 . PRO 42 42 27945 1 . ALA 43 43 27945 1 . VAL 44 44 27945 1 . GLU 45 45 27945 1 . ILE 46 46 27945 1 . LYS 47 47 27945 1 . GLN 48 48 27945 1 . GLU 49 49 27945 1 . GLY 50 50 27945 1 . ASP 51 51 27945 1 . THR 52 52 27945 1 . PHE 53 53 27945 1 . TYR 54 54 27945 1 . ILE 55 55 27945 1 . LYS 56 56 27945 1 . THR 57 57 27945 1 . SER 58 58 27945 1 . THR 59 59 27945 1 . THR 60 60 27945 1 . VAL 61 61 27945 1 . ARG 62 62 27945 1 . THR 63 63 27945 1 . THR 64 64 27945 1 . GLU 65 65 27945 1 . ILE 66 66 27945 1 . ASN 67 67 27945 1 . PHE 68 68 27945 1 . LYS 69 69 27945 1 . VAL 70 70 27945 1 . GLY 71 71 27945 1 . GLU 72 72 27945 1 . GLU 73 73 27945 1 . PHE 74 74 27945 1 . GLU 75 75 27945 1 . GLU 76 76 27945 1 . GLN 77 77 27945 1 . THR 78 78 27945 1 . VAL 79 79 27945 1 . ASP 80 80 27945 1 . GLY 81 81 27945 1 . ARG 82 82 27945 1 . PRO 83 83 27945 1 . CYS 84 84 27945 1 . LYS 85 85 27945 1 . SER 86 86 27945 1 . LEU 87 87 27945 1 . VAL 88 88 27945 1 . LYS 89 89 27945 1 . TRP 90 90 27945 1 . GLU 91 91 27945 1 . SER 92 92 27945 1 . GLU 93 93 27945 1 . ASN 94 94 27945 1 . LYS 95 95 27945 1 . MET 96 96 27945 1 . VAL 97 97 27945 1 . CYS 98 98 27945 1 . GLU 99 99 27945 1 . GLN 100 100 27945 1 . LYS 101 101 27945 1 . LEU 102 102 27945 1 . LEU 103 103 27945 1 . LYS 104 104 27945 1 . GLY 105 105 27945 1 . GLU 106 106 27945 1 . GLY 107 107 27945 1 . PRO 108 108 27945 1 . LYS 109 109 27945 1 . THR 110 110 27945 1 . SER 111 111 27945 1 . TRP 112 112 27945 1 . THR 113 113 27945 1 . ARG 114 114 27945 1 . GLU 115 115 27945 1 . LEU 116 116 27945 1 . THR 117 117 27945 1 . ASN 118 118 27945 1 . ASP 119 119 27945 1 . GLY 120 120 27945 1 . GLU 121 121 27945 1 . LEU 122 122 27945 1 . ILE 123 123 27945 1 . LEU 124 124 27945 1 . THR 125 125 27945 1 . MET 126 126 27945 1 . THR 127 127 27945 1 . ALA 128 128 27945 1 . ASP 129 129 27945 1 . ASP 130 130 27945 1 . VAL 131 131 27945 1 . VAL 132 132 27945 1 . CYS 133 133 27945 1 . THR 134 134 27945 1 . ARG 135 135 27945 1 . VAL 136 136 27945 1 . TYR 137 137 27945 1 . VAL 138 138 27945 1 . ARG 139 139 27945 1 . GLU 140 140 27945 1 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 27945 _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 $CRABP2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27945 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 27945 _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 $CRABP2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . RP1B . . . 27945 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27945 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 20mM NaP (pH 7.4); 150mM NaCl; 5mM DTT.' _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 CRABP2 '[U-13C; U-15N]' . . 1 $CRABP2 . . 1 . . mM . . . . 27945 1 2 NaP 'natural abundance' . . . . . . 20 . . mM . . . . 27945 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27945 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27945 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 27945 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'Buffer: 20mM NaP (pH 7.4); 150mM NaCl; 5mM DTT.' 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' 0.170 . M 27945 1 pH 7.4 . pH 27945 1 pressure 1 . atm 27945 1 temperature 298 . K 27945 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27945 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27945 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27945 1 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 27945 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 27945 _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 Bruker Avance . 900 . . . 27945 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 27945 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27945 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27945 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27945 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27945 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27945 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27945 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 27945 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . 2.73 27945 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . -0.07 27945 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . 0.07 27945 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 27945 _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' . . . 27945 1 2 '3D HNCO' . . . 27945 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 4 4 PRO C C 13 175.381 . . 1 . . . . . 1 PRO C . 27945 1 2 . 1 1 4 4 PRO CA C 13 63.084 . . 1 . . . . . 1 PRO CA . 27945 1 3 . 1 1 4 4 PRO CB C 13 31.88 . . 1 . . . . . 1 PRO CB . 27945 1 4 . 1 1 5 5 ASN H H 1 8.275 . . 1 . . . . . 2 ASN H . 27945 1 5 . 1 1 5 5 ASN C C 13 174.915 . . 1 . . . . . 2 ASN C . 27945 1 6 . 1 1 5 5 ASN CA C 13 52.138 . . 1 . . . . . 2 ASN CA . 27945 1 7 . 1 1 5 5 ASN CB C 13 39.218 . . 1 . . . . . 2 ASN CB . 27945 1 8 . 1 1 5 5 ASN N N 15 120.21 . . 1 . . . . . 2 ASN N . 27945 1 9 . 1 1 6 6 PHE H H 1 9.675 . . 1 . . . . . 3 PHE H . 27945 1 10 . 1 1 6 6 PHE C C 13 175.352 . . 1 . . . . . 3 PHE C . 27945 1 11 . 1 1 6 6 PHE CA C 13 60.291 . . 1 . . . . . 3 PHE CA . 27945 1 12 . 1 1 6 6 PHE CB C 13 40.621 . . 1 . . . . . 3 PHE CB . 27945 1 13 . 1 1 6 6 PHE N N 15 121.688 . . 1 . . . . . 3 PHE N . 27945 1 14 . 1 1 7 7 SER H H 1 8.384 . . 1 . . . . . 4 SER H . 27945 1 15 . 1 1 7 7 SER C C 13 174.547 . . 1 . . . . . 4 SER C . 27945 1 16 . 1 1 7 7 SER CA C 13 60.553 . . 1 . . . . . 4 SER CA . 27945 1 17 . 1 1 7 7 SER CB C 13 64.37 . . 1 . . . . . 4 SER CB . 27945 1 18 . 1 1 7 7 SER N N 15 113.015 . . 1 . . . . . 4 SER N . 27945 1 19 . 1 1 8 8 GLY H H 1 9.09 . . 1 . . . . . 5 GLY H . 27945 1 20 . 1 1 8 8 GLY C C 13 170.67 . . 1 . . . . . 5 GLY C . 27945 1 21 . 1 1 8 8 GLY CA C 13 44.576 . . 1 . . . . . 5 GLY CA . 27945 1 22 . 1 1 8 8 GLY N N 15 110.857 . . 1 . . . . . 5 GLY N . 27945 1 23 . 1 1 9 9 ASN H H 1 8.088 . . 1 . . . . . 6 ASN H . 27945 1 24 . 1 1 9 9 ASN C C 13 174.108 . . 1 . . . . . 6 ASN C . 27945 1 25 . 1 1 9 9 ASN CA C 13 52.901 . . 1 . . . . . 6 ASN CA . 27945 1 26 . 1 1 9 9 ASN CB C 13 39.903 . . 1 . . . . . 6 ASN CB . 27945 1 27 . 1 1 9 9 ASN N N 15 118.965 . . 1 . . . . . 6 ASN N . 27945 1 28 . 1 1 10 10 TRP H H 1 9.267 . . 1 . . . . . 7 TRP H . 27945 1 29 . 1 1 10 10 TRP C C 13 175.619 . . 1 . . . . . 7 TRP C . 27945 1 30 . 1 1 10 10 TRP CA C 13 56.596 . . 1 . . . . . 7 TRP CA . 27945 1 31 . 1 1 10 10 TRP CB C 13 31.842 . . 1 . . . . . 7 TRP CB . 27945 1 32 . 1 1 10 10 TRP N N 15 123.624 . . 1 . . . . . 7 TRP N . 27945 1 33 . 1 1 11 11 LYS H H 1 10.017 . . 1 . . . . . 8 LYS H . 27945 1 34 . 1 1 11 11 LYS C C 13 175.354 . . 1 . . . . . 8 LYS C . 27945 1 35 . 1 1 11 11 LYS CA C 13 53.853 . . 1 . . . . . 8 LYS CA . 27945 1 36 . 1 1 11 11 LYS N N 15 124.242 . . 1 . . . . . 8 LYS N . 27945 1 37 . 1 1 12 12 ILE H H 1 8.817 . . 1 . . . . . 9 ILE H . 27945 1 38 . 1 1 12 12 ILE C C 13 175.177 . . 1 . . . . . 9 ILE C . 27945 1 39 . 1 1 12 12 ILE CA C 13 61.697 . . 1 . . . . . 9 ILE CA . 27945 1 40 . 1 1 12 12 ILE CB C 13 39.583 . . 1 . . . . . 9 ILE CB . 27945 1 41 . 1 1 12 12 ILE N N 15 126.01 . . 1 . . . . . 9 ILE N . 27945 1 42 . 1 1 13 13 ILE H H 1 9.176 . . 1 . . . . . 10 ILE H . 27945 1 43 . 1 1 13 13 ILE CA C 13 61.033 . . 1 . . . . . 10 ILE CA . 27945 1 44 . 1 1 13 13 ILE CB C 13 41.375 . . 1 . . . . . 10 ILE CB . 27945 1 45 . 1 1 13 13 ILE N N 15 118.644 . . 1 . . . . . 10 ILE N . 27945 1 46 . 1 1 14 14 ARG H H 1 7.357 . . 1 . . . . . 11 ARG H . 27945 1 47 . 1 1 14 14 ARG C C 13 173.588 . . 1 . . . . . 11 ARG C . 27945 1 48 . 1 1 14 14 ARG CA C 13 56.548 . . 1 . . . . . 11 ARG CA . 27945 1 49 . 1 1 14 14 ARG CB C 13 33.952 . . 1 . . . . . 11 ARG CB . 27945 1 50 . 1 1 14 14 ARG N N 15 120.986 . . 1 . . . . . 11 ARG N . 27945 1 51 . 1 1 15 15 SER H H 1 8.246 . . 1 . . . . . 12 SER H . 27945 1 52 . 1 1 15 15 SER C C 13 173.143 . . 1 . . . . . 12 SER C . 27945 1 53 . 1 1 15 15 SER CA C 13 56.974 . . 1 . . . . . 12 SER CA . 27945 1 54 . 1 1 15 15 SER CB C 13 64.602 . . 1 . . . . . 12 SER CB . 27945 1 55 . 1 1 15 15 SER N N 15 116.009 . . 1 . . . . . 12 SER N . 27945 1 56 . 1 1 17 17 ASN H H 1 8.327 . . 1 . . . . . 14 ASN H . 27945 1 57 . 1 1 17 17 ASN C C 13 175.003 . . 1 . . . . . 14 ASN C . 27945 1 58 . 1 1 17 17 ASN CA C 13 52.326 . . 1 . . . . . 14 ASN CA . 27945 1 59 . 1 1 17 17 ASN CB C 13 39.372 . . 1 . . . . . 14 ASN CB . 27945 1 60 . 1 1 17 17 ASN N N 15 119.549 . . 1 . . . . . 14 ASN N . 27945 1 61 . 1 1 18 18 PHE H H 1 9.508 . . 1 . . . . . 15 PHE H . 27945 1 62 . 1 1 18 18 PHE CA C 13 60.77 . . 1 . . . . . 15 PHE CA . 27945 1 63 . 1 1 18 18 PHE N N 15 120.797 . . 1 . . . . . 15 PHE N . 27945 1 64 . 1 1 20 20 GLU H H 1 8.219 . . 1 . . . . . 17 GLU H . 27945 1 65 . 1 1 20 20 GLU C C 13 178.573 . . 1 . . . . . 17 GLU C . 27945 1 66 . 1 1 20 20 GLU CA C 13 60.023 . . 1 . . . . . 17 GLU CA . 27945 1 67 . 1 1 20 20 GLU CB C 13 28.399 . . 1 . . . . . 17 GLU CB . 27945 1 68 . 1 1 20 20 GLU N N 15 118.714 . . 1 . . . . . 17 GLU N . 27945 1 69 . 1 1 21 21 LEU H H 1 7.508 . . 1 . . . . . 18 LEU H . 27945 1 70 . 1 1 21 21 LEU C C 13 177.55 . . 1 . . . . . 18 LEU C . 27945 1 71 . 1 1 21 21 LEU CA C 13 58.338 . . 1 . . . . . 18 LEU CA . 27945 1 72 . 1 1 21 21 LEU CB C 13 42.11 . . 1 . . . . . 18 LEU CB . 27945 1 73 . 1 1 21 21 LEU N N 15 121.837 . . 1 . . . . . 18 LEU N . 27945 1 74 . 1 1 22 22 LEU H H 1 7.312 . . 1 . . . . . 19 LEU H . 27945 1 75 . 1 1 22 22 LEU CA C 13 57.547 . . 1 . . . . . 19 LEU CA . 27945 1 76 . 1 1 22 22 LEU CB C 13 40.823 . . 1 . . . . . 19 LEU CB . 27945 1 77 . 1 1 22 22 LEU N N 15 115.148 . . 1 . . . . . 19 LEU N . 27945 1 78 . 1 1 23 23 LYS H H 1 8.096 . . 1 . . . . . 20 LYS H . 27945 1 79 . 1 1 23 23 LYS C C 13 180.996 . . 1 . . . . . 20 LYS C . 27945 1 80 . 1 1 23 23 LYS CA C 13 60.393 . . 1 . . . . . 20 LYS CA . 27945 1 81 . 1 1 23 23 LYS CB C 13 32.296 . . 1 . . . . . 20 LYS CB . 27945 1 82 . 1 1 23 23 LYS N N 15 119.026 . . 1 . . . . . 20 LYS N . 27945 1 83 . 1 1 24 24 VAL H H 1 7.766 . . 1 . . . . . 21 VAL H . 27945 1 84 . 1 1 24 24 VAL C C 13 177.511 . . 1 . . . . . 21 VAL C . 27945 1 85 . 1 1 24 24 VAL CA C 13 65.775 . . 1 . . . . . 21 VAL CA . 27945 1 86 . 1 1 24 24 VAL CB C 13 31.395 . . 1 . . . . . 21 VAL CB . 27945 1 87 . 1 1 24 24 VAL N N 15 121.531 . . 1 . . . . . 21 VAL N . 27945 1 88 . 1 1 25 25 LEU H H 1 7.147 . . 1 . . . . . 22 LEU H . 27945 1 89 . 1 1 25 25 LEU C C 13 176.307 . . 1 . . . . . 22 LEU C . 27945 1 90 . 1 1 25 25 LEU CA C 13 55.31 . . 1 . . . . . 22 LEU CA . 27945 1 91 . 1 1 25 25 LEU CB C 13 41.273 . . 1 . . . . . 22 LEU CB . 27945 1 92 . 1 1 25 25 LEU N N 15 118.244 . . 1 . . . . . 22 LEU N . 27945 1 93 . 1 1 26 26 GLY H H 1 7.595 . . 1 . . . . . 23 GLY H . 27945 1 94 . 1 1 26 26 GLY C C 13 174.728 . . 1 . . . . . 23 GLY C . 27945 1 95 . 1 1 26 26 GLY CA C 13 45.637 . . 1 . . . . . 23 GLY CA . 27945 1 96 . 1 1 26 26 GLY N N 15 106.925 . . 1 . . . . . 23 GLY N . 27945 1 97 . 1 1 27 27 VAL H H 1 7.528 . . 1 . . . . . 24 VAL H . 27945 1 98 . 1 1 27 27 VAL C C 13 176.33 . . 1 . . . . . 24 VAL C . 27945 1 99 . 1 1 27 27 VAL CA C 13 63.008 . . 1 . . . . . 24 VAL CA . 27945 1 100 . 1 1 27 27 VAL CB C 13 31.279 . . 1 . . . . . 24 VAL CB . 27945 1 101 . 1 1 27 27 VAL N N 15 121.869 . . 1 . . . . . 24 VAL N . 27945 1 102 . 1 1 28 28 ASN H H 1 8.545 . . 1 . . . . . 25 ASN H . 27945 1 103 . 1 1 28 28 ASN C C 13 175.353 . . 1 . . . . . 25 ASN C . 27945 1 104 . 1 1 28 28 ASN CA C 13 53.923 . . 1 . . . . . 25 ASN CA . 27945 1 105 . 1 1 28 28 ASN CB C 13 38.881 . . 1 . . . . . 25 ASN CB . 27945 1 106 . 1 1 28 28 ASN N N 15 128.085 . . 1 . . . . . 25 ASN N . 27945 1 107 . 1 1 29 29 VAL H H 1 8.311 . . 1 . . . . . 26 VAL H . 27945 1 108 . 1 1 29 29 VAL C C 13 176.155 . . 1 . . . . . 26 VAL C . 27945 1 109 . 1 1 29 29 VAL CA C 13 66.485 . . 1 . . . . . 26 VAL CA . 27945 1 110 . 1 1 29 29 VAL CB C 13 31.827 . . 1 . . . . . 26 VAL CB . 27945 1 111 . 1 1 29 29 VAL N N 15 120.441 . . 1 . . . . . 26 VAL N . 27945 1 112 . 1 1 30 30 MET H H 1 7.853 . . 1 . . . . . 27 MET H . 27945 1 113 . 1 1 30 30 MET C C 13 178.897 . . 1 . . . . . 27 MET C . 27945 1 114 . 1 1 30 30 MET CA C 13 58.508 . . 1 . . . . . 27 MET CA . 27945 1 115 . 1 1 30 30 MET CB C 13 31.594 . . 1 . . . . . 27 MET CB . 27945 1 116 . 1 1 30 30 MET N N 15 119.916 . . 1 . . . . . 27 MET N . 27945 1 117 . 1 1 31 31 LEU H H 1 7.731 . . 1 . . . . . 28 LEU H . 27945 1 118 . 1 1 31 31 LEU C C 13 180.031 . . 1 . . . . . 28 LEU C . 27945 1 119 . 1 1 31 31 LEU CA C 13 56.756 . . 1 . . . . . 28 LEU CA . 27945 1 120 . 1 1 31 31 LEU CB C 13 41.519 . . 1 . . . . . 28 LEU CB . 27945 1 121 . 1 1 31 31 LEU N N 15 119.203 . . 1 . . . . . 28 LEU N . 27945 1 122 . 1 1 33 33 LYS H H 1 7.617 . . 1 . . . . . 30 LYS H . 27945 1 123 . 1 1 33 33 LYS CA C 13 59.608 . . 1 . . . . . 30 LYS CA . 27945 1 124 . 1 1 33 33 LYS N N 15 117.664 . . 1 . . . . . 30 LYS N . 27945 1 125 . 1 1 34 34 ILE H H 1 7.091 . . 1 . . . . . 31 ILE H . 27945 1 126 . 1 1 34 34 ILE CA C 13 64.191 . . 1 . . . . . 31 ILE CA . 27945 1 127 . 1 1 34 34 ILE N N 15 119.318 . . 1 . . . . . 31 ILE N . 27945 1 128 . 1 1 35 35 ALA H H 1 7.997 . . 1 . . . . . 32 ALA H . 27945 1 129 . 1 1 35 35 ALA CA C 13 55.104 . . 1 . . . . . 32 ALA CA . 27945 1 130 . 1 1 35 35 ALA CB C 13 23.361 . . 1 . . . . . 32 ALA CB . 27945 1 131 . 1 1 35 35 ALA N N 15 123.43 . . 1 . . . . . 32 ALA N . 27945 1 132 . 1 1 36 36 VAL H H 1 8.454 . . 1 . . . . . 33 VAL H . 27945 1 133 . 1 1 36 36 VAL CA C 13 66.119 . . 1 . . . . . 33 VAL CA . 27945 1 134 . 1 1 36 36 VAL CB C 13 32.541 . . 1 . . . . . 33 VAL CB . 27945 1 135 . 1 1 36 36 VAL N N 15 117.425 . . 1 . . . . . 33 VAL N . 27945 1 136 . 1 1 40 40 SER H H 1 7.324 . . 1 . . . . . 37 SER H . 27945 1 137 . 1 1 40 40 SER CA C 13 60.553 . . 1 . . . . . 37 SER CA . 27945 1 138 . 1 1 40 40 SER CB C 13 63.826 . . 1 . . . . . 37 SER CB . 27945 1 139 . 1 1 40 40 SER N N 15 113.648 . . 1 . . . . . 37 SER N . 27945 1 140 . 1 1 42 42 PRO C C 13 176.438 . . 1 . . . . . 39 PRO C . 27945 1 141 . 1 1 42 42 PRO CA C 13 62.927 . . 1 . . . . . 39 PRO CA . 27945 1 142 . 1 1 43 43 ALA H H 1 8.599 . . 1 . . . . . 40 ALA H . 27945 1 143 . 1 1 43 43 ALA C C 13 176.984 . . 1 . . . . . 40 ALA C . 27945 1 144 . 1 1 43 43 ALA CA C 13 51.856 . . 1 . . . . . 40 ALA CA . 27945 1 145 . 1 1 43 43 ALA N N 15 125.184 . . 1 . . . . . 40 ALA N . 27945 1 146 . 1 1 45 45 GLU H H 1 9.22 . . 1 . . . . . 42 GLU H . 27945 1 147 . 1 1 45 45 GLU C C 13 174.904 . . 1 . . . . . 42 GLU C . 27945 1 148 . 1 1 45 45 GLU CA C 13 54.703 . . 1 . . . . . 42 GLU CA . 27945 1 149 . 1 1 45 45 GLU CB C 13 33.237 . . 1 . . . . . 42 GLU CB . 27945 1 150 . 1 1 45 45 GLU N N 15 130.118 . . 1 . . . . . 42 GLU N . 27945 1 151 . 1 1 46 46 ILE H H 1 9.218 . . 1 . . . . . 43 ILE H . 27945 1 152 . 1 1 46 46 ILE C C 13 176.611 . . 1 . . . . . 43 ILE C . 27945 1 153 . 1 1 46 46 ILE CA C 13 59.874 . . 1 . . . . . 43 ILE CA . 27945 1 154 . 1 1 46 46 ILE CB C 13 40.509 . . 1 . . . . . 43 ILE CB . 27945 1 155 . 1 1 46 46 ILE N N 15 123.551 . . 1 . . . . . 43 ILE N . 27945 1 156 . 1 1 47 47 LYS H H 1 9.433 . . 1 . . . . . 44 LYS H . 27945 1 157 . 1 1 47 47 LYS C C 13 173.578 . . 1 . . . . . 44 LYS C . 27945 1 158 . 1 1 47 47 LYS CA C 13 56.291 . . 1 . . . . . 44 LYS CA . 27945 1 159 . 1 1 47 47 LYS CB C 13 34.833 . . 1 . . . . . 44 LYS CB . 27945 1 160 . 1 1 47 47 LYS N N 15 129.204 . . 1 . . . . . 44 LYS N . 27945 1 161 . 1 1 48 48 GLN H H 1 8.488 . . 1 . . . . . 45 GLN H . 27945 1 162 . 1 1 48 48 GLN C C 13 174.911 . . 1 . . . . . 45 GLN C . 27945 1 163 . 1 1 48 48 GLN CA C 13 53.771 . . 1 . . . . . 45 GLN CA . 27945 1 164 . 1 1 48 48 GLN CB C 13 30.234 . . 1 . . . . . 45 GLN CB . 27945 1 165 . 1 1 48 48 GLN N N 15 128.572 . . 1 . . . . . 45 GLN N . 27945 1 166 . 1 1 49 49 GLU H H 1 8.443 . . 1 . . . . . 46 GLU H . 27945 1 167 . 1 1 49 49 GLU C C 13 176.066 . . 1 . . . . . 46 GLU C . 27945 1 168 . 1 1 49 49 GLU CA C 13 55.016 . . 1 . . . . . 46 GLU CA . 27945 1 169 . 1 1 49 49 GLU CB C 13 30.466 . . 1 . . . . . 46 GLU CB . 27945 1 170 . 1 1 49 49 GLU N N 15 129.05 . . 1 . . . . . 46 GLU N . 27945 1 171 . 1 1 50 50 GLY H H 1 9.014 . . 1 . . . . . 47 GLY H . 27945 1 172 . 1 1 50 50 GLY C C 13 173.144 . . 1 . . . . . 47 GLY C . 27945 1 173 . 1 1 50 50 GLY CA C 13 47.768 . . 1 . . . . . 47 GLY CA . 27945 1 174 . 1 1 50 50 GLY N N 15 118.164 . . 1 . . . . . 47 GLY N . 27945 1 175 . 1 1 51 51 ASP H H 1 8.387 . . 1 . . . . . 48 ASP H . 27945 1 176 . 1 1 51 51 ASP C C 13 175.27 . . 1 . . . . . 48 ASP C . 27945 1 177 . 1 1 51 51 ASP CA C 13 54.415 . . 1 . . . . . 48 ASP CA . 27945 1 178 . 1 1 51 51 ASP CB C 13 41.743 . . 1 . . . . . 48 ASP CB . 27945 1 179 . 1 1 51 51 ASP N N 15 126.308 . . 1 . . . . . 48 ASP N . 27945 1 180 . 1 1 52 52 THR H H 1 7.964 . . 1 . . . . . 49 THR H . 27945 1 181 . 1 1 52 52 THR C C 13 172.875 . . 1 . . . . . 49 THR C . 27945 1 182 . 1 1 52 52 THR CA C 13 62.773 . . 1 . . . . . 49 THR CA . 27945 1 183 . 1 1 52 52 THR CB C 13 69.437 . . 1 . . . . . 49 THR CB . 27945 1 184 . 1 1 52 52 THR N N 15 116.881 . . 1 . . . . . 49 THR N . 27945 1 185 . 1 1 53 53 PHE H H 1 8.968 . . 1 . . . . . 50 PHE H . 27945 1 186 . 1 1 53 53 PHE C C 13 174.129 . . 1 . . . . . 50 PHE C . 27945 1 187 . 1 1 53 53 PHE CA C 13 57.576 . . 1 . . . . . 50 PHE CA . 27945 1 188 . 1 1 53 53 PHE CB C 13 44.188 . . 1 . . . . . 50 PHE CB . 27945 1 189 . 1 1 53 53 PHE N N 15 124.509 . . 1 . . . . . 50 PHE N . 27945 1 190 . 1 1 54 54 TYR H H 1 8.234 . . 1 . . . . . 51 TYR H . 27945 1 191 . 1 1 54 54 TYR C C 13 174.827 . . 1 . . . . . 51 TYR C . 27945 1 192 . 1 1 54 54 TYR CA C 13 56.125 . . 1 . . . . . 51 TYR CA . 27945 1 193 . 1 1 54 54 TYR CB C 13 40.783 . . 1 . . . . . 51 TYR CB . 27945 1 194 . 1 1 54 54 TYR N N 15 122.82 . . 1 . . . . . 51 TYR N . 27945 1 195 . 1 1 55 55 ILE H H 1 8.35 . . 1 . . . . . 52 ILE H . 27945 1 196 . 1 1 55 55 ILE C C 13 174.208 . . 1 . . . . . 52 ILE C . 27945 1 197 . 1 1 55 55 ILE CA C 13 60.808 . . 1 . . . . . 52 ILE CA . 27945 1 198 . 1 1 55 55 ILE CB C 13 39.925 . . 1 . . . . . 52 ILE CB . 27945 1 199 . 1 1 55 55 ILE N N 15 123.857 . . 1 . . . . . 52 ILE N . 27945 1 200 . 1 1 56 56 LYS H H 1 9.221 . . 1 . . . . . 53 LYS H . 27945 1 201 . 1 1 56 56 LYS CA C 13 54.379 . . 1 . . . . . 53 LYS CA . 27945 1 202 . 1 1 56 56 LYS CB C 13 34.609 . . 1 . . . . . 53 LYS CB . 27945 1 203 . 1 1 56 56 LYS N N 15 132.925 . . 1 . . . . . 53 LYS N . 27945 1 204 . 1 1 57 57 THR H H 1 8.846 . . 1 . . . . . 54 THR H . 27945 1 205 . 1 1 57 57 THR C C 13 174.29 . . 1 . . . . . 54 THR C . 27945 1 206 . 1 1 57 57 THR CA C 13 62.023 . . 1 . . . . . 54 THR CA . 27945 1 207 . 1 1 57 57 THR CB C 13 69.921 . . 1 . . . . . 54 THR CB . 27945 1 208 . 1 1 57 57 THR N N 15 124.693 . . 1 . . . . . 54 THR N . 27945 1 209 . 1 1 58 58 SER H H 1 9.34 . . 1 . . . . . 55 SER H . 27945 1 210 . 1 1 58 58 SER C C 13 173.752 . . 1 . . . . . 55 SER C . 27945 1 211 . 1 1 58 58 SER CA C 13 57.804 . . 1 . . . . . 55 SER CA . 27945 1 212 . 1 1 58 58 SER CB C 13 65.311 . . 1 . . . . . 55 SER CB . 27945 1 213 . 1 1 58 58 SER N N 15 123.178 . . 1 . . . . . 55 SER N . 27945 1 214 . 1 1 62 62 ARG H H 1 7.297 . . 1 . . . . . 59 ARG H . 27945 1 215 . 1 1 62 62 ARG CA C 13 56.099 . . 1 . . . . . 59 ARG CA . 27945 1 216 . 1 1 62 62 ARG CB C 13 33.126 . . 1 . . . . . 59 ARG CB . 27945 1 217 . 1 1 62 62 ARG N N 15 118.877 . . 1 . . . . . 59 ARG N . 27945 1 218 . 1 1 64 64 THR H H 1 8.888 . . 1 . . . . . 61 THR H . 27945 1 219 . 1 1 64 64 THR CA C 13 60.33 . . 1 . . . . . 61 THR CA . 27945 1 220 . 1 1 64 64 THR CB C 13 71.64 . . 1 . . . . . 61 THR CB . 27945 1 221 . 1 1 64 64 THR N N 15 120.616 . . 1 . . . . . 61 THR N . 27945 1 222 . 1 1 65 65 GLU H H 1 8.711 . . 1 . . . . . 62 GLU H . 27945 1 223 . 1 1 65 65 GLU C C 13 175.072 . . 1 . . . . . 62 GLU C . 27945 1 224 . 1 1 65 65 GLU CA C 13 55.081 . . 1 . . . . . 62 GLU CA . 27945 1 225 . 1 1 65 65 GLU CB C 13 33.473 . . 1 . . . . . 62 GLU CB . 27945 1 226 . 1 1 65 65 GLU N N 15 124.149 . . 1 . . . . . 62 GLU N . 27945 1 227 . 1 1 66 66 ILE H H 1 8.356 . . 1 . . . . . 63 ILE H . 27945 1 228 . 1 1 66 66 ILE C C 13 173.214 . . 1 . . . . . 63 ILE C . 27945 1 229 . 1 1 66 66 ILE CA C 13 59.389 . . 1 . . . . . 63 ILE CA . 27945 1 230 . 1 1 66 66 ILE CB C 13 42.194 . . 1 . . . . . 63 ILE CB . 27945 1 231 . 1 1 66 66 ILE N N 15 118.127 . . 1 . . . . . 63 ILE N . 27945 1 232 . 1 1 67 67 ASN H H 1 8.01 . . 1 . . . . . 64 ASN H . 27945 1 233 . 1 1 67 67 ASN C C 13 173.138 . . 1 . . . . . 64 ASN C . 27945 1 234 . 1 1 67 67 ASN CA C 13 52.131 . . 1 . . . . . 64 ASN CA . 27945 1 235 . 1 1 67 67 ASN CB C 13 42.465 . . 1 . . . . . 64 ASN CB . 27945 1 236 . 1 1 67 67 ASN N N 15 120.774 . . 1 . . . . . 64 ASN N . 27945 1 237 . 1 1 68 68 PHE H H 1 8.236 . . 1 . . . . . 65 PHE H . 27945 1 238 . 1 1 68 68 PHE C C 13 171.819 . . 1 . . . . . 65 PHE C . 27945 1 239 . 1 1 68 68 PHE CA C 13 55.861 . . 1 . . . . . 65 PHE CA . 27945 1 240 . 1 1 68 68 PHE CB C 13 40.354 . . 1 . . . . . 65 PHE CB . 27945 1 241 . 1 1 68 68 PHE N N 15 117.33 . . 1 . . . . . 65 PHE N . 27945 1 242 . 1 1 69 69 LYS H H 1 9.228 . . 1 . . . . . 66 LYS H . 27945 1 243 . 1 1 69 69 LYS C C 13 177.829 . . 1 . . . . . 66 LYS C . 27945 1 244 . 1 1 69 69 LYS CA C 13 53.783 . . 1 . . . . . 66 LYS CA . 27945 1 245 . 1 1 69 69 LYS CB C 13 35.078 . . 1 . . . . . 66 LYS CB . 27945 1 246 . 1 1 69 69 LYS N N 15 121.191 . . 1 . . . . . 66 LYS N . 27945 1 247 . 1 1 70 70 VAL H H 1 8.934 . . 1 . . . . . 67 VAL H . 27945 1 248 . 1 1 70 70 VAL C C 13 176.839 . . 1 . . . . . 67 VAL C . 27945 1 249 . 1 1 70 70 VAL CA C 13 66.994 . . 1 . . . . . 67 VAL CA . 27945 1 250 . 1 1 70 70 VAL CB C 13 31.384 . . 1 . . . . . 67 VAL CB . 27945 1 251 . 1 1 70 70 VAL N N 15 127.845 . . 1 . . . . . 67 VAL N . 27945 1 252 . 1 1 71 71 GLY H H 1 8.731 . . 1 . . . . . 68 GLY H . 27945 1 253 . 1 1 71 71 GLY C C 13 173.407 . . 1 . . . . . 68 GLY C . 27945 1 254 . 1 1 71 71 GLY CA C 13 45.526 . . 1 . . . . . 68 GLY CA . 27945 1 255 . 1 1 71 71 GLY N N 15 115.105 . . 1 . . . . . 68 GLY N . 27945 1 256 . 1 1 72 72 GLU H H 1 7.83 . . 1 . . . . . 69 GLU H . 27945 1 257 . 1 1 72 72 GLU C C 13 176.497 . . 1 . . . . . 69 GLU C . 27945 1 258 . 1 1 72 72 GLU CA C 13 54.705 . . 1 . . . . . 69 GLU CA . 27945 1 259 . 1 1 72 72 GLU CB C 13 32.093 . . 1 . . . . . 69 GLU CB . 27945 1 260 . 1 1 72 72 GLU N N 15 120.494 . . 1 . . . . . 69 GLU N . 27945 1 261 . 1 1 73 73 GLU H H 1 9.12 . . 1 . . . . . 70 GLU H . 27945 1 262 . 1 1 73 73 GLU C C 13 175.342 . . 1 . . . . . 70 GLU C . 27945 1 263 . 1 1 73 73 GLU CA C 13 57.557 . . 1 . . . . . 70 GLU CA . 27945 1 264 . 1 1 73 73 GLU CB C 13 31.165 . . 1 . . . . . 70 GLU CB . 27945 1 265 . 1 1 73 73 GLU N N 15 130.577 . . 1 . . . . . 70 GLU N . 27945 1 266 . 1 1 74 74 PHE H H 1 8.923 . . 1 . . . . . 71 PHE H . 27945 1 267 . 1 1 74 74 PHE C C 13 172.255 . . 1 . . . . . 71 PHE C . 27945 1 268 . 1 1 74 74 PHE CA C 13 55.628 . . 1 . . . . . 71 PHE CA . 27945 1 269 . 1 1 74 74 PHE CB C 13 41.06 . . 1 . . . . . 71 PHE CB . 27945 1 270 . 1 1 74 74 PHE N N 15 121.732 . . 1 . . . . . 71 PHE N . 27945 1 271 . 1 1 75 75 GLU H H 1 8.571 . . 1 . . . . . 72 GLU H . 27945 1 272 . 1 1 75 75 GLU C C 13 175.792 . . 1 . . . . . 72 GLU C . 27945 1 273 . 1 1 75 75 GLU CA C 13 55.303 . . 1 . . . . . 72 GLU CA . 27945 1 274 . 1 1 75 75 GLU CB C 13 31.6 . . 1 . . . . . 72 GLU CB . 27945 1 275 . 1 1 75 75 GLU N N 15 119.869 . . 1 . . . . . 72 GLU N . 27945 1 276 . 1 1 76 76 GLU H H 1 8.325 . . 1 . . . . . 73 GLU H . 27945 1 277 . 1 1 76 76 GLU C C 13 174.295 . . 1 . . . . . 73 GLU C . 27945 1 278 . 1 1 76 76 GLU CA C 13 55.173 . . 1 . . . . . 73 GLU CA . 27945 1 279 . 1 1 76 76 GLU CB C 13 29.533 . . 1 . . . . . 73 GLU CB . 27945 1 280 . 1 1 76 76 GLU N N 15 122.319 . . 1 . . . . . 73 GLU N . 27945 1 281 . 1 1 77 77 GLN H H 1 7.478 . . 1 . . . . . 74 GLN H . 27945 1 282 . 1 1 77 77 GLN C C 13 177.018 . . 1 . . . . . 74 GLN C . 27945 1 283 . 1 1 77 77 GLN CA C 13 54.073 . . 1 . . . . . 74 GLN CA . 27945 1 284 . 1 1 77 77 GLN CB C 13 32.563 . . 1 . . . . . 74 GLN CB . 27945 1 285 . 1 1 77 77 GLN N N 15 117.899 . . 1 . . . . . 74 GLN N . 27945 1 286 . 1 1 78 78 THR H H 1 9.175 . . 1 . . . . . 75 THR H . 27945 1 287 . 1 1 78 78 THR C C 13 178.02 . . 1 . . . . . 75 THR C . 27945 1 288 . 1 1 78 78 THR CA C 13 62.091 . . 1 . . . . . 75 THR CA . 27945 1 289 . 1 1 78 78 THR CB C 13 70.942 . . 1 . . . . . 75 THR CB . 27945 1 290 . 1 1 78 78 THR N N 15 112.416 . . 1 . . . . . 75 THR N . 27945 1 291 . 1 1 79 79 VAL H H 1 9.021 . . 1 . . . . . 76 VAL H . 27945 1 292 . 1 1 79 79 VAL C C 13 177.514 . . 1 . . . . . 76 VAL C . 27945 1 293 . 1 1 79 79 VAL CA C 13 65.149 . . 1 . . . . . 76 VAL CA . 27945 1 294 . 1 1 79 79 VAL N N 15 122.134 . . 1 . . . . . 76 VAL N . 27945 1 295 . 1 1 80 80 ASP H H 1 8.71 . . 1 . . . . . 77 ASP H . 27945 1 296 . 1 1 80 80 ASP N N 15 113.87 . . 1 . . . . . 77 ASP N . 27945 1 297 . 1 1 81 81 GLY H H 1 7.864 . . 1 . . . . . 78 GLY H . 27945 1 298 . 1 1 81 81 GLY CA C 13 45.764 . . 1 . . . . . 78 GLY CA . 27945 1 299 . 1 1 81 81 GLY N N 15 108.595 . . 1 . . . . . 78 GLY N . 27945 1 300 . 1 1 82 82 ARG H H 1 7.745 . . 1 . . . . . 79 ARG H . 27945 1 301 . 1 1 82 82 ARG C C 13 174.646 . . 1 . . . . . 79 ARG C . 27945 1 302 . 1 1 82 82 ARG CA C 13 53.755 . . 1 . . . . . 79 ARG CA . 27945 1 303 . 1 1 82 82 ARG CB C 13 29.986 . . 1 . . . . . 79 ARG CB . 27945 1 304 . 1 1 82 82 ARG N N 15 121.248 . . 1 . . . . . 79 ARG N . 27945 1 305 . 1 1 83 83 PRO C C 13 176.347 . . 1 . . . . . 80 PRO C . 27945 1 306 . 1 1 83 83 PRO CA C 13 63.616 . . 1 . . . . . 80 PRO CA . 27945 1 307 . 1 1 83 83 PRO CB C 13 32.563 . . 1 . . . . . 80 PRO CB . 27945 1 308 . 1 1 84 84 CYS H H 1 8.775 . . 1 . . . . . 81 CYS H . 27945 1 309 . 1 1 84 84 CYS C C 13 171.206 . . 1 . . . . . 81 CYS C . 27945 1 310 . 1 1 84 84 CYS CA C 13 55.686 . . 1 . . . . . 81 CYS CA . 27945 1 311 . 1 1 84 84 CYS CB C 13 31.378 . . 1 . . . . . 81 CYS CB . 27945 1 312 . 1 1 84 84 CYS N N 15 118.999 . . 1 . . . . . 81 CYS N . 27945 1 313 . 1 1 85 85 LYS H H 1 8.78 . . 1 . . . . . 82 LYS H . 27945 1 314 . 1 1 85 85 LYS C C 13 175.706 . . 1 . . . . . 82 LYS C . 27945 1 315 . 1 1 85 85 LYS CA C 13 54.332 . . 1 . . . . . 82 LYS CA . 27945 1 316 . 1 1 85 85 LYS CB C 13 33.926 . . 1 . . . . . 82 LYS CB . 27945 1 317 . 1 1 85 85 LYS N N 15 120.105 . . 1 . . . . . 82 LYS N . 27945 1 318 . 1 1 86 86 SER H H 1 8.956 . . 1 . . . . . 83 SER H . 27945 1 319 . 1 1 86 86 SER C C 13 171.555 . . 1 . . . . . 83 SER C . 27945 1 320 . 1 1 86 86 SER CA C 13 57.599 . . 1 . . . . . 83 SER CA . 27945 1 321 . 1 1 86 86 SER CB C 13 67.849 . . 1 . . . . . 83 SER CB . 27945 1 322 . 1 1 86 86 SER N N 15 125.103 . . 1 . . . . . 83 SER N . 27945 1 323 . 1 1 87 87 LEU H H 1 7.26 . . 1 . . . . . 84 LEU H . 27945 1 324 . 1 1 87 87 LEU C C 13 174.214 . . 1 . . . . . 84 LEU C . 27945 1 325 . 1 1 87 87 LEU CA C 13 55.044 . . 1 . . . . . 84 LEU CA . 27945 1 326 . 1 1 87 87 LEU CB C 13 44.889 . . 1 . . . . . 84 LEU CB . 27945 1 327 . 1 1 87 87 LEU N N 15 120.987 . . 1 . . . . . 84 LEU N . 27945 1 328 . 1 1 88 88 VAL H H 1 9.13 . . 1 . . . . . 85 VAL H . 27945 1 329 . 1 1 88 88 VAL C C 13 174.289 . . 1 . . . . . 85 VAL C . 27945 1 330 . 1 1 88 88 VAL CA C 13 60.443 . . 1 . . . . . 85 VAL CA . 27945 1 331 . 1 1 88 88 VAL CB C 13 32.317 . . 1 . . . . . 85 VAL CB . 27945 1 332 . 1 1 88 88 VAL N N 15 130.328 . . 1 . . . . . 85 VAL N . 27945 1 333 . 1 1 89 89 LYS H H 1 8.4 . . 1 . . . . . 86 LYS H . 27945 1 334 . 1 1 89 89 LYS C C 13 175.973 . . 1 . . . . . 86 LYS C . 27945 1 335 . 1 1 89 89 LYS CA C 13 53.985 . . 1 . . . . . 86 LYS CA . 27945 1 336 . 1 1 89 89 LYS CB C 13 36.577 . . 1 . . . . . 86 LYS CB . 27945 1 337 . 1 1 89 89 LYS N N 15 124.101 . . 1 . . . . . 86 LYS N . 27945 1 338 . 1 1 90 90 TRP H H 1 8.557 . . 1 . . . . . 87 TRP H . 27945 1 339 . 1 1 90 90 TRP C C 13 177.556 . . 1 . . . . . 87 TRP C . 27945 1 340 . 1 1 90 90 TRP CA C 13 56.839 . . 1 . . . . . 87 TRP CA . 27945 1 341 . 1 1 90 90 TRP CB C 13 29.096 . . 1 . . . . . 87 TRP CB . 27945 1 342 . 1 1 90 90 TRP N N 15 120.564 . . 1 . . . . . 87 TRP N . 27945 1 343 . 1 1 91 91 GLU H H 1 9.128 . . 1 . . . . . 88 GLU H . 27945 1 344 . 1 1 91 91 GLU C C 13 176.06 . . 1 . . . . . 88 GLU C . 27945 1 345 . 1 1 91 91 GLU CA C 13 57.924 . . 1 . . . . . 88 GLU CA . 27945 1 346 . 1 1 91 91 GLU CB C 13 32.088 . . 1 . . . . . 88 GLU CB . 27945 1 347 . 1 1 91 91 GLU N N 15 127.989 . . 1 . . . . . 88 GLU N . 27945 1 348 . 1 1 92 92 SER H H 1 8.495 . . 1 . . . . . 89 SER H . 27945 1 349 . 1 1 92 92 SER C C 13 173.945 . . 1 . . . . . 89 SER C . 27945 1 350 . 1 1 92 92 SER CA C 13 56.839 . . 1 . . . . . 89 SER CA . 27945 1 351 . 1 1 92 92 SER CB C 13 64.799 . . 1 . . . . . 89 SER CB . 27945 1 352 . 1 1 92 92 SER N N 15 112.848 . . 1 . . . . . 89 SER N . 27945 1 353 . 1 1 93 93 GLU H H 1 8.718 . . 1 . . . . . 90 GLU H . 27945 1 354 . 1 1 93 93 GLU C C 13 175.616 . . 1 . . . . . 90 GLU C . 27945 1 355 . 1 1 93 93 GLU CA C 13 59.079 . . 1 . . . . . 90 GLU CA . 27945 1 356 . 1 1 93 93 GLU CB C 13 29.084 . . 1 . . . . . 90 GLU CB . 27945 1 357 . 1 1 93 93 GLU N N 15 117.043 . . 1 . . . . . 90 GLU N . 27945 1 358 . 1 1 94 94 ASN H H 1 7.987 . . 1 . . . . . 91 ASN H . 27945 1 359 . 1 1 94 94 ASN C C 13 174.114 . . 1 . . . . . 91 ASN C . 27945 1 360 . 1 1 94 94 ASN CA C 13 52.595 . . 1 . . . . . 91 ASN CA . 27945 1 361 . 1 1 94 94 ASN CB C 13 39.903 . . 1 . . . . . 91 ASN CB . 27945 1 362 . 1 1 94 94 ASN N N 15 111.842 . . 1 . . . . . 91 ASN N . 27945 1 363 . 1 1 95 95 LYS H H 1 7.757 . . 1 . . . . . 92 LYS H . 27945 1 364 . 1 1 95 95 LYS C C 13 173.758 . . 1 . . . . . 92 LYS C . 27945 1 365 . 1 1 95 95 LYS CA C 13 56.762 . . 1 . . . . . 92 LYS CA . 27945 1 366 . 1 1 95 95 LYS CB C 13 36.707 . . 1 . . . . . 92 LYS CB . 27945 1 367 . 1 1 95 95 LYS N N 15 120.2 . . 1 . . . . . 92 LYS N . 27945 1 368 . 1 1 96 96 MET H H 1 9.243 . . 1 . . . . . 93 MET H . 27945 1 369 . 1 1 96 96 MET C C 13 173.719 . . 1 . . . . . 93 MET C . 27945 1 370 . 1 1 96 96 MET CA C 13 53.327 . . 1 . . . . . 93 MET CA . 27945 1 371 . 1 1 96 96 MET CB C 13 34.832 . . 1 . . . . . 93 MET CB . 27945 1 372 . 1 1 96 96 MET N N 15 127.194 . . 1 . . . . . 93 MET N . 27945 1 373 . 1 1 97 97 VAL H H 1 8.759 . . 1 . . . . . 94 VAL H . 27945 1 374 . 1 1 97 97 VAL C C 13 172.787 . . 1 . . . . . 94 VAL C . 27945 1 375 . 1 1 97 97 VAL CA C 13 60.129 . . 1 . . . . . 94 VAL CA . 27945 1 376 . 1 1 97 97 VAL CB C 13 34.565 . . 1 . . . . . 94 VAL CB . 27945 1 377 . 1 1 97 97 VAL N N 15 119.517 . . 1 . . . . . 94 VAL N . 27945 1 378 . 1 1 98 98 CYS H H 1 8.741 . . 1 . . . . . 95 CYS H . 27945 1 379 . 1 1 98 98 CYS C C 13 173.982 . . 1 . . . . . 95 CYS C . 27945 1 380 . 1 1 98 98 CYS CA C 13 55.413 . . 1 . . . . . 95 CYS CA . 27945 1 381 . 1 1 98 98 CYS CB C 13 27.467 . . 1 . . . . . 95 CYS CB . 27945 1 382 . 1 1 98 98 CYS N N 15 127.502 . . 1 . . . . . 95 CYS N . 27945 1 383 . 1 1 99 99 GLU H H 1 7.599 . . 1 . . . . . 96 GLU H . 27945 1 384 . 1 1 99 99 GLU C C 13 175.354 . . 1 . . . . . 96 GLU C . 27945 1 385 . 1 1 99 99 GLU CA C 13 55.068 . . 1 . . . . . 96 GLU CA . 27945 1 386 . 1 1 99 99 GLU CB C 13 31.271 . . 1 . . . . . 96 GLU CB . 27945 1 387 . 1 1 99 99 GLU N N 15 127.899 . . 1 . . . . . 96 GLU N . 27945 1 388 . 1 1 100 100 GLN H H 1 7.331 . . 1 . . . . . 97 GLN H . 27945 1 389 . 1 1 100 100 GLN C C 13 175.88 . . 1 . . . . . 97 GLN C . 27945 1 390 . 1 1 100 100 GLN CA C 13 54.441 . . 1 . . . . . 97 GLN CA . 27945 1 391 . 1 1 100 100 GLN CB C 13 30.483 . . 1 . . . . . 97 GLN CB . 27945 1 392 . 1 1 100 100 GLN N N 15 121.215 . . 1 . . . . . 97 GLN N . 27945 1 393 . 1 1 101 101 LYS H H 1 8.85 . . 1 . . . . . 98 LYS H . 27945 1 394 . 1 1 101 101 LYS C C 13 175.61 . . 1 . . . . . 98 LYS C . 27945 1 395 . 1 1 101 101 LYS CA C 13 54.548 . . 1 . . . . . 98 LYS CA . 27945 1 396 . 1 1 101 101 LYS CB C 13 34.736 . . 1 . . . . . 98 LYS CB . 27945 1 397 . 1 1 101 101 LYS N N 15 123.26 . . 1 . . . . . 98 LYS N . 27945 1 398 . 1 1 102 102 LEU H H 1 8.713 . . 1 . . . . . 99 LEU H . 27945 1 399 . 1 1 102 102 LEU C C 13 178.133 . . 1 . . . . . 99 LEU C . 27945 1 400 . 1 1 102 102 LEU CA C 13 55.811 . . 1 . . . . . 99 LEU CA . 27945 1 401 . 1 1 102 102 LEU CB C 13 41.754 . . 1 . . . . . 99 LEU CB . 27945 1 402 . 1 1 102 102 LEU N N 15 126.303 . . 1 . . . . . 99 LEU N . 27945 1 403 . 1 1 103 103 LEU H H 1 7.649 . . 1 . . . . . 100 LEU H . 27945 1 404 . 1 1 103 103 LEU C C 13 177.394 . . 1 . . . . . 100 LEU C . 27945 1 405 . 1 1 103 103 LEU CA C 13 56.897 . . 1 . . . . . 100 LEU CA . 27945 1 406 . 1 1 103 103 LEU CB C 13 42.051 . . 1 . . . . . 100 LEU CB . 27945 1 407 . 1 1 103 103 LEU N N 15 121.905 . . 1 . . . . . 100 LEU N . 27945 1 408 . 1 1 104 104 LYS H H 1 7.922 . . 1 . . . . . 101 LYS H . 27945 1 409 . 1 1 104 104 LYS C C 13 175.355 . . 1 . . . . . 101 LYS C . 27945 1 410 . 1 1 104 104 LYS CA C 13 55.388 . . 1 . . . . . 101 LYS CA . 27945 1 411 . 1 1 104 104 LYS CB C 13 34.799 . . 1 . . . . . 101 LYS CB . 27945 1 412 . 1 1 104 104 LYS N N 15 117.797 . . 1 . . . . . 101 LYS N . 27945 1 413 . 1 1 105 105 GLY H H 1 8.134 . . 1 . . . . . 102 GLY H . 27945 1 414 . 1 1 105 105 GLY C C 13 172.508 . . 1 . . . . . 102 GLY C . 27945 1 415 . 1 1 105 105 GLY CA C 13 44.793 . . 1 . . . . . 102 GLY CA . 27945 1 416 . 1 1 105 105 GLY N N 15 109.126 . . 1 . . . . . 102 GLY N . 27945 1 417 . 1 1 106 106 GLU H H 1 8.04 . . 1 . . . . . 103 GLU H . 27945 1 418 . 1 1 106 106 GLU C C 13 175.786 . . 1 . . . . . 103 GLU C . 27945 1 419 . 1 1 106 106 GLU CA C 13 54.755 . . 1 . . . . . 103 GLU CA . 27945 1 420 . 1 1 106 106 GLU CB C 13 32.562 . . 1 . . . . . 103 GLU CB . 27945 1 421 . 1 1 106 106 GLU N N 15 117.281 . . 1 . . . . . 103 GLU N . 27945 1 422 . 1 1 107 107 GLY H H 1 8.052 . . 1 . . . . . 104 GLY H . 27945 1 423 . 1 1 107 107 GLY CA C 13 45.419 . . 1 . . . . . 104 GLY CA . 27945 1 424 . 1 1 107 107 GLY N N 15 109.292 . . 1 . . . . . 104 GLY N . 27945 1 425 . 1 1 108 108 PRO C C 13 175.465 . . 1 . . . . . 105 PRO C . 27945 1 426 . 1 1 108 108 PRO CA C 13 62.566 . . 1 . . . . . 105 PRO CA . 27945 1 427 . 1 1 108 108 PRO CB C 13 32.099 . . 1 . . . . . 105 PRO CB . 27945 1 428 . 1 1 109 109 LYS H H 1 8.462 . . 1 . . . . . 106 LYS H . 27945 1 429 . 1 1 109 109 LYS C C 13 177.815 . . 1 . . . . . 106 LYS C . 27945 1 430 . 1 1 109 109 LYS CA C 13 56.517 . . 1 . . . . . 106 LYS CA . 27945 1 431 . 1 1 109 109 LYS CB C 13 32.304 . . 1 . . . . . 106 LYS CB . 27945 1 432 . 1 1 109 109 LYS N N 15 123.776 . . 1 . . . . . 106 LYS N . 27945 1 433 . 1 1 110 110 THR H H 1 8.698 . . 1 . . . . . 107 THR H . 27945 1 434 . 1 1 110 110 THR C C 13 173.583 . . 1 . . . . . 107 THR C . 27945 1 435 . 1 1 110 110 THR CA C 13 60.002 . . 1 . . . . . 107 THR CA . 27945 1 436 . 1 1 110 110 THR CB C 13 72.204 . . 1 . . . . . 107 THR CB . 27945 1 437 . 1 1 110 110 THR N N 15 118.987 . . 1 . . . . . 107 THR N . 27945 1 438 . 1 1 111 111 SER H H 1 7.71 . . 1 . . . . . 108 SER H . 27945 1 439 . 1 1 111 111 SER C C 13 173.941 . . 1 . . . . . 108 SER C . 27945 1 440 . 1 1 111 111 SER CA C 13 57.077 . . 1 . . . . . 108 SER CA . 27945 1 441 . 1 1 111 111 SER CB C 13 66.704 . . 1 . . . . . 108 SER CB . 27945 1 442 . 1 1 111 111 SER N N 15 112.698 . . 1 . . . . . 108 SER N . 27945 1 443 . 1 1 112 112 TRP H H 1 8.101 . . 1 . . . . . 109 TRP H . 27945 1 444 . 1 1 112 112 TRP C C 13 174.558 . . 1 . . . . . 109 TRP C . 27945 1 445 . 1 1 112 112 TRP CA C 13 55.971 . . 1 . . . . . 109 TRP CA . 27945 1 446 . 1 1 112 112 TRP CB C 13 33.003 . . 1 . . . . . 109 TRP CB . 27945 1 447 . 1 1 112 112 TRP N N 15 116.481 . . 1 . . . . . 109 TRP N . 27945 1 448 . 1 1 113 113 THR H H 1 9.47 . . 1 . . . . . 110 THR H . 27945 1 449 . 1 1 113 113 THR C C 13 174.466 . . 1 . . . . . 110 THR C . 27945 1 450 . 1 1 113 113 THR CA C 13 60.78 . . 1 . . . . . 110 THR CA . 27945 1 451 . 1 1 113 113 THR CB C 13 71.978 . . 1 . . . . . 110 THR CB . 27945 1 452 . 1 1 113 113 THR N N 15 111.417 . . 1 . . . . . 110 THR N . 27945 1 453 . 1 1 114 114 ARG H H 1 8.689 . . 1 . . . . . 111 ARG H . 27945 1 454 . 1 1 114 114 ARG C C 13 173.673 . . 1 . . . . . 111 ARG C . 27945 1 455 . 1 1 114 114 ARG CA C 13 55.863 . . 1 . . . . . 111 ARG CA . 27945 1 456 . 1 1 114 114 ARG CB C 13 35.292 . . 1 . . . . . 111 ARG CB . 27945 1 457 . 1 1 114 114 ARG N N 15 120.56 . . 1 . . . . . 111 ARG N . 27945 1 458 . 1 1 115 115 GLU H H 1 8.787 . . 1 . . . . . 112 GLU H . 27945 1 459 . 1 1 115 115 GLU C C 13 173.069 . . 1 . . . . . 112 GLU C . 27945 1 460 . 1 1 115 115 GLU CA C 13 53.812 . . 1 . . . . . 112 GLU CA . 27945 1 461 . 1 1 115 115 GLU CB C 13 34.604 . . 1 . . . . . 112 GLU CB . 27945 1 462 . 1 1 115 115 GLU N N 15 123.479 . . 1 . . . . . 112 GLU N . 27945 1 463 . 1 1 116 116 LEU H H 1 8.139 . . 1 . . . . . 113 LEU H . 27945 1 464 . 1 1 116 116 LEU C C 13 177.829 . . 1 . . . . . 113 LEU C . 27945 1 465 . 1 1 116 116 LEU CA C 13 52.625 . . 1 . . . . . 113 LEU CA . 27945 1 466 . 1 1 116 116 LEU CB C 13 43.61 . . 1 . . . . . 113 LEU CB . 27945 1 467 . 1 1 116 116 LEU N N 15 126.646 . . 1 . . . . . 113 LEU N . 27945 1 468 . 1 1 117 117 THR H H 1 9.271 . . 1 . . . . . 114 THR H . 27945 1 469 . 1 1 117 117 THR C C 13 176.949 . . 1 . . . . . 114 THR C . 27945 1 470 . 1 1 117 117 THR CA C 13 60.386 . . 1 . . . . . 114 THR CA . 27945 1 471 . 1 1 117 117 THR CB C 13 71.554 . . 1 . . . . . 114 THR CB . 27945 1 472 . 1 1 117 117 THR N N 15 117.226 . . 1 . . . . . 114 THR N . 27945 1 473 . 1 1 119 119 ASP H H 1 7.63 . . 1 . . . . . 116 ASP H . 27945 1 474 . 1 1 119 119 ASP C C 13 176.054 . . 1 . . . . . 116 ASP C . 27945 1 475 . 1 1 119 119 ASP CA C 13 54.175 . . 1 . . . . . 116 ASP CA . 27945 1 476 . 1 1 119 119 ASP CB C 13 41.07 . . 1 . . . . . 116 ASP CB . 27945 1 477 . 1 1 119 119 ASP N N 15 115.95 . . 1 . . . . . 116 ASP N . 27945 1 478 . 1 1 120 120 GLY H H 1 7.878 . . 1 . . . . . 117 GLY H . 27945 1 479 . 1 1 120 120 GLY C C 13 174.373 . . 1 . . . . . 117 GLY C . 27945 1 480 . 1 1 120 120 GLY CA C 13 46.012 . . 1 . . . . . 117 GLY CA . 27945 1 481 . 1 1 120 120 GLY N N 15 108.047 . . 1 . . . . . 117 GLY N . 27945 1 482 . 1 1 121 121 GLU H H 1 7.333 . . 1 . . . . . 118 GLU H . 27945 1 483 . 1 1 121 121 GLU C C 13 174.289 . . 1 . . . . . 118 GLU C . 27945 1 484 . 1 1 121 121 GLU CA C 13 55.377 . . 1 . . . . . 118 GLU CA . 27945 1 485 . 1 1 121 121 GLU CB C 13 30.701 . . 1 . . . . . 118 GLU CB . 27945 1 486 . 1 1 121 121 GLU N N 15 117.731 . . 1 . . . . . 118 GLU N . 27945 1 487 . 1 1 122 122 LEU H H 1 8.939 . . 1 . . . . . 119 LEU H . 27945 1 488 . 1 1 122 122 LEU C C 13 175.395 . . 1 . . . . . 119 LEU C . 27945 1 489 . 1 1 122 122 LEU CA C 13 53.747 . . 1 . . . . . 119 LEU CA . 27945 1 490 . 1 1 122 122 LEU CB C 13 42.922 . . 1 . . . . . 119 LEU CB . 27945 1 491 . 1 1 122 122 LEU N N 15 126.01 . . 1 . . . . . 119 LEU N . 27945 1 492 . 1 1 123 123 ILE H H 1 9.333 . . 1 . . . . . 120 ILE H . 27945 1 493 . 1 1 123 123 ILE C C 13 176.495 . . 1 . . . . . 120 ILE C . 27945 1 494 . 1 1 123 123 ILE CA C 13 60.561 . . 1 . . . . . 120 ILE CA . 27945 1 495 . 1 1 123 123 ILE CB C 13 39.351 . . 1 . . . . . 120 ILE CB . 27945 1 496 . 1 1 123 123 ILE N N 15 125.477 . . 1 . . . . . 120 ILE N . 27945 1 497 . 1 1 124 124 LEU H H 1 9.741 . . 1 . . . . . 121 LEU H . 27945 1 498 . 1 1 124 124 LEU N N 15 134.952 . . 1 . . . . . 121 LEU N . 27945 1 499 . 1 1 125 125 THR H H 1 9.031 . . 1 . . . . . 122 THR H . 27945 1 500 . 1 1 125 125 THR C C 13 174.109 . . 1 . . . . . 122 THR C . 27945 1 501 . 1 1 125 125 THR CA C 13 60.296 . . 1 . . . . . 122 THR CA . 27945 1 502 . 1 1 125 125 THR CB C 13 70.687 . . 1 . . . . . 122 THR CB . 27945 1 503 . 1 1 125 125 THR N N 15 120.301 . . 1 . . . . . 122 THR N . 27945 1 504 . 1 1 126 126 MET H H 1 9.219 . . 1 . . . . . 123 MET H . 27945 1 505 . 1 1 126 126 MET C C 13 174.205 . . 1 . . . . . 123 MET C . 27945 1 506 . 1 1 126 126 MET CA C 13 54.963 . . 1 . . . . . 123 MET CA . 27945 1 507 . 1 1 126 126 MET CB C 13 37.843 . . 1 . . . . . 123 MET CB . 27945 1 508 . 1 1 126 126 MET N N 15 122.093 . . 1 . . . . . 123 MET N . 27945 1 509 . 1 1 127 127 THR H H 1 8.151 . . 1 . . . . . 124 THR H . 27945 1 510 . 1 1 127 127 THR C C 13 174.909 . . 1 . . . . . 124 THR C . 27945 1 511 . 1 1 127 127 THR CA C 13 60.505 . . 1 . . . . . 124 THR CA . 27945 1 512 . 1 1 127 127 THR CB C 13 71.063 . . 1 . . . . . 124 THR CB . 27945 1 513 . 1 1 127 127 THR N N 15 115.746 . . 1 . . . . . 124 THR N . 27945 1 514 . 1 1 128 128 ALA H H 1 8.31 . . 1 . . . . . 125 ALA H . 27945 1 515 . 1 1 128 128 ALA C C 13 175.395 . . 1 . . . . . 125 ALA C . 27945 1 516 . 1 1 128 128 ALA CA C 13 51.434 . . 1 . . . . . 125 ALA CA . 27945 1 517 . 1 1 128 128 ALA CB C 13 21.004 . . 1 . . . . . 125 ALA CB . 27945 1 518 . 1 1 128 128 ALA N N 15 125.8 . . 1 . . . . . 125 ALA N . 27945 1 519 . 1 1 129 129 ASP H H 1 9.145 . . 1 . . . . . 126 ASP H . 27945 1 520 . 1 1 129 129 ASP C C 13 175.352 . . 1 . . . . . 126 ASP C . 27945 1 521 . 1 1 129 129 ASP CA C 13 57.146 . . 1 . . . . . 126 ASP CA . 27945 1 522 . 1 1 129 129 ASP CB C 13 39.233 . . 1 . . . . . 126 ASP CB . 27945 1 523 . 1 1 129 129 ASP N N 15 122.598 . . 1 . . . . . 126 ASP N . 27945 1 524 . 1 1 130 130 ASP H H 1 8.385 . . 1 . . . . . 127 ASP H . 27945 1 525 . 1 1 130 130 ASP C C 13 175.522 . . 1 . . . . . 127 ASP C . 27945 1 526 . 1 1 130 130 ASP CA C 13 54.65 . . 1 . . . . . 127 ASP CA . 27945 1 527 . 1 1 130 130 ASP CB C 13 40.639 . . 1 . . . . . 127 ASP CB . 27945 1 528 . 1 1 130 130 ASP N N 15 121.286 . . 1 . . . . . 127 ASP N . 27945 1 529 . 1 1 131 131 VAL H H 1 8.317 . . 1 . . . . . 128 VAL H . 27945 1 530 . 1 1 131 131 VAL C C 13 173.939 . . 1 . . . . . 128 VAL C . 27945 1 531 . 1 1 131 131 VAL CA C 13 63.449 . . 1 . . . . . 128 VAL CA . 27945 1 532 . 1 1 131 131 VAL CB C 13 32.563 . . 1 . . . . . 128 VAL CB . 27945 1 533 . 1 1 131 131 VAL N N 15 123.748 . . 1 . . . . . 128 VAL N . 27945 1 534 . 1 1 132 132 VAL H H 1 8.296 . . 1 . . . . . 129 VAL H . 27945 1 535 . 1 1 132 132 VAL C C 13 175.71 . . 1 . . . . . 129 VAL C . 27945 1 536 . 1 1 132 132 VAL CA C 13 61.23 . . 1 . . . . . 129 VAL CA . 27945 1 537 . 1 1 132 132 VAL CB C 13 34.154 . . 1 . . . . . 129 VAL CB . 27945 1 538 . 1 1 132 132 VAL N N 15 125.833 . . 1 . . . . . 129 VAL N . 27945 1 539 . 1 1 133 133 CYS H H 1 9.455 . . 1 . . . . . 130 CYS H . 27945 1 540 . 1 1 133 133 CYS C C 13 173.588 . . 1 . . . . . 130 CYS C . 27945 1 541 . 1 1 133 133 CYS CA C 13 55.979 . . 1 . . . . . 130 CYS CA . 27945 1 542 . 1 1 133 133 CYS CB C 13 29.986 . . 1 . . . . . 130 CYS CB . 27945 1 543 . 1 1 133 133 CYS N N 15 129.559 . . 1 . . . . . 130 CYS N . 27945 1 544 . 1 1 134 134 THR H H 1 7.999 . . 1 . . . . . 131 THR H . 27945 1 545 . 1 1 134 134 THR C C 13 173.676 . . 1 . . . . . 131 THR C . 27945 1 546 . 1 1 134 134 THR CA C 13 62.087 . . 1 . . . . . 131 THR CA . 27945 1 547 . 1 1 134 134 THR CB C 13 70.828 . . 1 . . . . . 131 THR CB . 27945 1 548 . 1 1 134 134 THR N N 15 124.618 . . 1 . . . . . 131 THR N . 27945 1 549 . 1 1 135 135 ARG H H 1 9.544 . . 1 . . . . . 132 ARG H . 27945 1 550 . 1 1 135 135 ARG CA C 13 55.076 . . 1 . . . . . 132 ARG CA . 27945 1 551 . 1 1 135 135 ARG N N 15 126.878 . . 1 . . . . . 132 ARG N . 27945 1 552 . 1 1 137 137 TYR H H 1 9.62 . . 1 . . . . . 134 TYR H . 27945 1 553 . 1 1 137 137 TYR CA C 13 55.965 . . 1 . . . . . 134 TYR CA . 27945 1 554 . 1 1 137 137 TYR CB C 13 42.847 . . 1 . . . . . 134 TYR CB . 27945 1 555 . 1 1 137 137 TYR N N 15 126.446 . . 1 . . . . . 134 TYR N . 27945 1 556 . 1 1 138 138 VAL H H 1 9.211 . . 1 . . . . . 135 VAL H . 27945 1 557 . 1 1 138 138 VAL C C 13 175.528 . . 1 . . . . . 135 VAL C . 27945 1 558 . 1 1 138 138 VAL CA C 13 59.548 . . 1 . . . . . 135 VAL CA . 27945 1 559 . 1 1 138 138 VAL CB C 13 35.753 . . 1 . . . . . 135 VAL CB . 27945 1 560 . 1 1 138 138 VAL N N 15 112.456 . . 1 . . . . . 135 VAL N . 27945 1 561 . 1 1 139 139 ARG H H 1 8.484 . . 1 . . . . . 136 ARG H . 27945 1 562 . 1 1 139 139 ARG C C 13 177.207 . . 1 . . . . . 136 ARG C . 27945 1 563 . 1 1 139 139 ARG CA C 13 57.203 . . 1 . . . . . 136 ARG CA . 27945 1 564 . 1 1 139 139 ARG CB C 13 29.986 . . 1 . . . . . 136 ARG CB . 27945 1 565 . 1 1 139 139 ARG N N 15 123.673 . . 1 . . . . . 136 ARG N . 27945 1 566 . 1 1 140 140 GLU H H 1 8.018 . . 1 . . . . . 137 GLU H . 27945 1 567 . 1 1 140 140 GLU C C 13 181.354 . . 1 . . . . . 137 GLU C . 27945 1 568 . 1 1 140 140 GLU CA C 13 58.496 . . 1 . . . . . 137 GLU CA . 27945 1 569 . 1 1 140 140 GLU CB C 13 31.37 . . 1 . . . . . 137 GLU CB . 27945 1 570 . 1 1 140 140 GLU N N 15 127.16 . . 1 . . . . . 137 GLU N . 27945 1 stop_ save_