data_27019 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27019 _Entry.Title ; RXFP2-LDLa-linker-GB1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-31 _Entry.Accession_date 2017-01-31 _Entry.Last_release_date 2017-02-01 _Entry.Original_release_date 2017-02-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 RXFP2-LDLa-linker-GB1 _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 Ashish Sethi . . . . 27019 2 Paul Gooley . R. . . 27019 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Melbourne' . 27019 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27019 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 27019 '15N chemical shifts' 119 27019 '1H chemical shifts' 566 27019 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 . . 2018-09-04 . original BMRB . 27019 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27019 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The involvement of the LDLa linker in the mode of activation of the GPCR RXFP2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 Shoni Bruell . . . . 27019 1 2 Ashish Sethi . . . . 27019 1 3 Nicholas Smith . . . . 27019 1 4 Daniel Scott . . . . 27019 1 5 'Mohammed Akhter' Hossain . . . . 27019 1 6 Qing-Ping Wu . . . . 27019 1 7 Zhan-Yun Guo . . . . 27019 1 8 Emma Petrie . . . . 27019 1 9 Paul Gooley . . . . 27019 1 10 Ross Bathgate . . . . 27019 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GPCR 27019 1 INSL3 27019 1 RXFP1 27019 1 RXFP2 27019 1 relaxin 27019 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27019 _Assembly.ID 1 _Assembly.Name RXFP2-LDLa-linker-GB1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13738.99 _Assembly.Enzyme_commission_number . _Assembly.Details ; LDLa-linker of RXFP2 fused to GB1 module. Buffer contains calcium, essential for maintaining LDLa fold. ; _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 RXFP2-LDLa-linker-GB1 1 $RXFP2-LDLa-linker-GB1 A . yes native no no . . . 27019 1 2 Calcium 2 $entity_CA B . no na no no . . . 27019 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RXFP2-LDLa-linker-GB1 _Entity.Sf_category entity _Entity.Sf_framecode RXFP2-LDLa-linker-GB1 _Entity.Entry_ID 27019 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RXFP2-LDLa-linker-GB1 _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 ; MITFSCQKGYFPCGNLTKCL PRAFHCDGKDDCGNGADEEN CGDTSGWATIFGTVHGNANS VALTQEQYKLALNGKTLKGE TTTEAVDAATAEKVFKQYAN DNGVDGEWTYDDATKTFTVT E ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation P4F _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'LDLa-linker of the RXFP2 receptor fused to the GB1 module for improving solubility and stability.' _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 'receptor activation, ligand binding' 27019 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 . MET . 27019 1 2 . ILE . 27019 1 3 . THR . 27019 1 4 . PHE . 27019 1 5 . SER . 27019 1 6 . CYS . 27019 1 7 . GLN . 27019 1 8 . LYS . 27019 1 9 . GLY . 27019 1 10 . TYR . 27019 1 11 . PHE . 27019 1 12 . PRO . 27019 1 13 . CYS . 27019 1 14 . GLY . 27019 1 15 . ASN . 27019 1 16 . LEU . 27019 1 17 . THR . 27019 1 18 . LYS . 27019 1 19 . CYS . 27019 1 20 . LEU . 27019 1 21 . PRO . 27019 1 22 . ARG . 27019 1 23 . ALA . 27019 1 24 . PHE . 27019 1 25 . HIS . 27019 1 26 . CYS . 27019 1 27 . ASP . 27019 1 28 . GLY . 27019 1 29 . LYS . 27019 1 30 . ASP . 27019 1 31 . ASP . 27019 1 32 . CYS . 27019 1 33 . GLY . 27019 1 34 . ASN . 27019 1 35 . GLY . 27019 1 36 . ALA . 27019 1 37 . ASP . 27019 1 38 . GLU . 27019 1 39 . GLU . 27019 1 40 . ASN . 27019 1 41 . CYS . 27019 1 42 . GLY . 27019 1 43 . ASP . 27019 1 44 . THR . 27019 1 45 . SER . 27019 1 46 . GLY . 27019 1 47 . TRP . 27019 1 48 . ALA . 27019 1 49 . THR . 27019 1 50 . ILE . 27019 1 51 . PHE . 27019 1 52 . GLY . 27019 1 53 . THR . 27019 1 54 . VAL . 27019 1 55 . HIS . 27019 1 56 . GLY . 27019 1 57 . ASN . 27019 1 58 . ALA . 27019 1 59 . ASN . 27019 1 60 . SER . 27019 1 61 . VAL . 27019 1 62 . ALA . 27019 1 63 . LEU . 27019 1 64 . THR . 27019 1 65 . GLN . 27019 1 66 . GLU . 27019 1 67 . GLN . 27019 1 68 . TYR . 27019 1 69 . LYS . 27019 1 70 . LEU . 27019 1 71 . ALA . 27019 1 72 . LEU . 27019 1 73 . ASN . 27019 1 74 . GLY . 27019 1 75 . LYS . 27019 1 76 . THR . 27019 1 77 . LEU . 27019 1 78 . LYS . 27019 1 79 . GLY . 27019 1 80 . GLU . 27019 1 81 . THR . 27019 1 82 . THR . 27019 1 83 . THR . 27019 1 84 . GLU . 27019 1 85 . ALA . 27019 1 86 . VAL . 27019 1 87 . ASP . 27019 1 88 . ALA . 27019 1 89 . ALA . 27019 1 90 . THR . 27019 1 91 . ALA . 27019 1 92 . GLU . 27019 1 93 . LYS . 27019 1 94 . VAL . 27019 1 95 . PHE . 27019 1 96 . LYS . 27019 1 97 . GLN . 27019 1 98 . TYR . 27019 1 99 . ALA . 27019 1 100 . ASN . 27019 1 101 . ASP . 27019 1 102 . ASN . 27019 1 103 . GLY . 27019 1 104 . VAL . 27019 1 105 . ASP . 27019 1 106 . GLY . 27019 1 107 . GLU . 27019 1 108 . TRP . 27019 1 109 . THR . 27019 1 110 . TYR . 27019 1 111 . ASP . 27019 1 112 . ASP . 27019 1 113 . ALA . 27019 1 114 . THR . 27019 1 115 . LYS . 27019 1 116 . THR . 27019 1 117 . PHE . 27019 1 118 . THR . 27019 1 119 . VAL . 27019 1 120 . THR . 27019 1 121 . GLU . 27019 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27019 1 . ILE 2 2 27019 1 . THR 3 3 27019 1 . PHE 4 4 27019 1 . SER 5 5 27019 1 . CYS 6 6 27019 1 . GLN 7 7 27019 1 . LYS 8 8 27019 1 . GLY 9 9 27019 1 . TYR 10 10 27019 1 . PHE 11 11 27019 1 . PRO 12 12 27019 1 . CYS 13 13 27019 1 . GLY 14 14 27019 1 . ASN 15 15 27019 1 . LEU 16 16 27019 1 . THR 17 17 27019 1 . LYS 18 18 27019 1 . CYS 19 19 27019 1 . LEU 20 20 27019 1 . PRO 21 21 27019 1 . ARG 22 22 27019 1 . ALA 23 23 27019 1 . PHE 24 24 27019 1 . HIS 25 25 27019 1 . CYS 26 26 27019 1 . ASP 27 27 27019 1 . GLY 28 28 27019 1 . LYS 29 29 27019 1 . ASP 30 30 27019 1 . ASP 31 31 27019 1 . CYS 32 32 27019 1 . GLY 33 33 27019 1 . ASN 34 34 27019 1 . GLY 35 35 27019 1 . ALA 36 36 27019 1 . ASP 37 37 27019 1 . GLU 38 38 27019 1 . GLU 39 39 27019 1 . ASN 40 40 27019 1 . CYS 41 41 27019 1 . GLY 42 42 27019 1 . ASP 43 43 27019 1 . THR 44 44 27019 1 . SER 45 45 27019 1 . GLY 46 46 27019 1 . TRP 47 47 27019 1 . ALA 48 48 27019 1 . THR 49 49 27019 1 . ILE 50 50 27019 1 . PHE 51 51 27019 1 . GLY 52 52 27019 1 . THR 53 53 27019 1 . VAL 54 54 27019 1 . HIS 55 55 27019 1 . GLY 56 56 27019 1 . ASN 57 57 27019 1 . ALA 58 58 27019 1 . ASN 59 59 27019 1 . SER 60 60 27019 1 . VAL 61 61 27019 1 . ALA 62 62 27019 1 . LEU 63 63 27019 1 . THR 64 64 27019 1 . GLN 65 65 27019 1 . GLU 66 66 27019 1 . GLN 67 67 27019 1 . TYR 68 68 27019 1 . LYS 69 69 27019 1 . LEU 70 70 27019 1 . ALA 71 71 27019 1 . LEU 72 72 27019 1 . ASN 73 73 27019 1 . GLY 74 74 27019 1 . LYS 75 75 27019 1 . THR 76 76 27019 1 . LEU 77 77 27019 1 . LYS 78 78 27019 1 . GLY 79 79 27019 1 . GLU 80 80 27019 1 . THR 81 81 27019 1 . THR 82 82 27019 1 . THR 83 83 27019 1 . GLU 84 84 27019 1 . ALA 85 85 27019 1 . VAL 86 86 27019 1 . ASP 87 87 27019 1 . ALA 88 88 27019 1 . ALA 89 89 27019 1 . THR 90 90 27019 1 . ALA 91 91 27019 1 . GLU 92 92 27019 1 . LYS 93 93 27019 1 . VAL 94 94 27019 1 . PHE 95 95 27019 1 . LYS 96 96 27019 1 . GLN 97 97 27019 1 . TYR 98 98 27019 1 . ALA 99 99 27019 1 . ASN 100 100 27019 1 . ASP 101 101 27019 1 . ASN 102 102 27019 1 . GLY 103 103 27019 1 . VAL 104 104 27019 1 . ASP 105 105 27019 1 . GLY 106 106 27019 1 . GLU 107 107 27019 1 . TRP 108 108 27019 1 . THR 109 109 27019 1 . TYR 110 110 27019 1 . ASP 111 111 27019 1 . ASP 112 112 27019 1 . ALA 113 113 27019 1 . THR 114 114 27019 1 . LYS 115 115 27019 1 . THR 116 116 27019 1 . PHE 117 117 27019 1 . THR 118 118 27019 1 . VAL 119 119 27019 1 . THR 120 120 27019 1 . GLU 121 121 27019 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 27019 _Entity.ID 2 _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 2 _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 27019 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 27019 2 CA 'Three letter code' 27019 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 27019 2 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 27019 _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 $RXFP2-LDLa-linker-GB1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . ; LDLa-linker is from human RXFP2 and GB1 is the thermostabilized immunoglobulin G binding domain from Streptococcal bacteria used as a solubility enhancer tag. ; 27019 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 27019 _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 $RXFP2-LDLa-linker-GB1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15 . . . 27019 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 27019 _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 27019 CA InChI=1S/Ca/q+2 InChI InChI 1.03 27019 CA [Ca++] SMILES CACTVS 3.341 27019 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 27019 CA [Ca+2] SMILES ACDLabs 10.04 27019 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 27019 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27019 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 27019 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27019 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 . 27019 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27019 _Sample.ID 1 _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 RXFP2-LDLa-linker-GB1 '[U-100% 15N]' . . 1 $RXFP2-LDLa-linker-GB1 . . 300 . . uM . . . . 27019 1 2 RXFP2-LDLa-linker-GB1 '[U-100% 13C; U-100% 15N]' . . 1 $RXFP2-LDLa-linker-GB1 . . 350 . . uM . . . . 27019 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 27019 _Sample_condition_list.ID 1 _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' 0 . M 27019 1 pH 6.8 . pH 27019 1 pressure 1 . atm 27019 1 temperature 298 . K 27019 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27019 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27019 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27019 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 27019 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27019 _NMR_spectrometer_list.ID 1 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 . 700 . . . 27019 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 27019 _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 . . . . . . . . . . . . . . . . 27019 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27019 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27019 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27019 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27019 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 27019 _Chem_shift_reference.ID 1 _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 external indirect 0.101329118 . . . . . 27019 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27019 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144953 . . . . . 27019 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 27019 _Assigned_chem_shift_list.ID 1 _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' . . . 27019 1 2 '3D HNCO' . . . 27019 1 3 '3D HNCACB' . . . 27019 1 4 '3D CBCA(CO)NH' . . . 27019 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 1 1 MET H H 1 8.152 0.00 . . . . . . . 1 MET H . 27019 1 2 . 1 1 1 1 MET HA H 1 4.452 0.00 . . . . . . . 1 MET HA . 27019 1 3 . 1 1 1 1 MET HB2 H 1 1.954 0.00 . . . . . . . 1 MET HB2 . 27019 1 4 . 1 1 1 1 MET HG2 H 1 2.469 0.00 . . . . . . . 1 MET HG2 . 27019 1 5 . 1 1 1 1 MET CA C 13 53.741 1.28 . . . . . . . 1 MET CA . 27019 1 6 . 1 1 1 1 MET CB C 13 30.358 0.01 . . . . . . . 1 MET CB . 27019 1 7 . 1 1 1 1 MET CG C 13 29.267 0.00 . . . . . . . 1 MET CG . 27019 1 8 . 1 1 1 1 MET N N 15 122.647 0.00 . . . . . . . 1 MET N . 27019 1 9 . 1 1 2 2 ILE H H 1 8.214 0.00 . . . . . . . 2 ILE H . 27019 1 10 . 1 1 2 2 ILE HA H 1 4.169 0.00 . . . . . . . 2 ILE HA . 27019 1 11 . 1 1 2 2 ILE HB H 1 1.766 0.00 . . . . . . . 2 ILE HB . 27019 1 12 . 1 1 2 2 ILE HG12 H 1 1.359 0.00 . . . . . . . 2 ILE HG12 . 27019 1 13 . 1 1 2 2 ILE HG13 H 1 1.102 0.00 . . . . . . . 2 ILE HG13 . 27019 1 14 . 1 1 2 2 ILE HG21 H 1 0.786 0.00 . . . . . . . 2 ILE HG2 . 27019 1 15 . 1 1 2 2 ILE HG22 H 1 0.786 0.00 . . . . . . . 2 ILE HG2 . 27019 1 16 . 1 1 2 2 ILE HG23 H 1 0.786 0.00 . . . . . . . 2 ILE HG2 . 27019 1 17 . 1 1 2 2 ILE C C 13 173.212 0.00 . . . . . . . 2 ILE C . 27019 1 18 . 1 1 2 2 ILE CA C 13 58.379 0.03 . . . . . . . 2 ILE CA . 27019 1 19 . 1 1 2 2 ILE CB C 13 35.998 0.04 . . . . . . . 2 ILE CB . 27019 1 20 . 1 1 2 2 ILE CG1 C 13 24.649 0.00 . . . . . . . 2 ILE CG1 . 27019 1 21 . 1 1 2 2 ILE CG2 C 13 14.934 0.00 . . . . . . . 2 ILE CG2 . 27019 1 22 . 1 1 2 2 ILE N N 15 122.863 0.03 . . . . . . . 2 ILE N . 27019 1 23 . 1 1 3 3 THR H H 1 8.174 0.01 . . . . . . . 3 THR H . 27019 1 24 . 1 1 3 3 THR HA H 1 5.326 0.00 . . . . . . . 3 THR HA . 27019 1 25 . 1 1 3 3 THR HB H 1 4.324 0.00 . . . . . . . 3 THR HB . 27019 1 26 . 1 1 3 3 THR HG1 H 1 4.710 0.00 . . . . . . . 3 THR HG1 . 27019 1 27 . 1 1 3 3 THR HG21 H 1 1.047 0.00 . . . . . . . 3 THR HG2 . 27019 1 28 . 1 1 3 3 THR HG22 H 1 1.047 0.00 . . . . . . . 3 THR HG2 . 27019 1 29 . 1 1 3 3 THR HG23 H 1 1.047 0.00 . . . . . . . 3 THR HG2 . 27019 1 30 . 1 1 3 3 THR C C 13 173.505 0.00 . . . . . . . 3 THR C . 27019 1 31 . 1 1 3 3 THR CA C 13 59.064 0.06 . . . . . . . 3 THR CA . 27019 1 32 . 1 1 3 3 THR CB C 13 67.204 0.07 . . . . . . . 3 THR CB . 27019 1 33 . 1 1 3 3 THR CG2 C 13 18.871 0.00 . . . . . . . 3 THR CG . 27019 1 34 . 1 1 3 3 THR N N 15 118.868 0.02 . . . . . . . 3 THR N . 27019 1 35 . 1 1 4 4 PHE H H 1 8.251 0.00 . . . . . . . 4 PHE H . 27019 1 36 . 1 1 4 4 PHE HA H 1 4.534 0.00 . . . . . . . 4 PHE HA . 27019 1 37 . 1 1 4 4 PHE HB2 H 1 2.982 0.00 . . . . . . . 4 PHE HB2 . 27019 1 38 . 1 1 4 4 PHE HB3 H 1 2.790 0.00 . . . . . . . 4 PHE HB3 . 27019 1 39 . 1 1 4 4 PHE C C 13 170.953 0.00 . . . . . . . 4 PHE C . 27019 1 40 . 1 1 4 4 PHE CA C 13 55.585 0.03 . . . . . . . 4 PHE CA . 27019 1 41 . 1 1 4 4 PHE CB C 13 37.533 0.02 . . . . . . . 4 PHE CB . 27019 1 42 . 1 1 4 4 PHE N N 15 124.547 0.10 . . . . . . . 4 PHE N . 27019 1 43 . 1 1 5 5 SER H H 1 7.631 0.00 . . . . . . . 5 SER H . 27019 1 44 . 1 1 5 5 SER HA H 1 4.286 0.00 . . . . . . . 5 SER HA . 27019 1 45 . 1 1 5 5 SER HB2 H 1 3.587 0.00 . . . . . . . 5 SER HB2 . 27019 1 46 . 1 1 5 5 SER HB3 H 1 3.587 0.00 . . . . . . . 5 SER HB3 . 27019 1 47 . 1 1 5 5 SER C C 13 171.477 0.00 . . . . . . . 5 SER C . 27019 1 48 . 1 1 5 5 SER CA C 13 54.524 0.06 . . . . . . . 5 SER CA . 27019 1 49 . 1 1 5 5 SER CB C 13 62.221 0.01 . . . . . . . 5 SER CB . 27019 1 50 . 1 1 5 5 SER N N 15 119.083 0.02 . . . . . . . 5 SER N . 27019 1 51 . 1 1 6 6 CYS H H 1 8.389 0.00 . . . . . . . 6 CYS H . 27019 1 52 . 1 1 6 6 CYS HA H 1 4.675 0.00 . . . . . . . 6 CYS HA . 27019 1 53 . 1 1 6 6 CYS HB2 H 1 2.901 0.00 . . . . . . . 6 CYS HB2 . 27019 1 54 . 1 1 6 6 CYS HB3 H 1 2.443 0.00 . . . . . . . 6 CYS HB3 . 27019 1 55 . 1 1 6 6 CYS C C 13 170.005 0.00 . . . . . . . 6 CYS C . 27019 1 56 . 1 1 6 6 CYS CA C 13 49.728 0.02 . . . . . . . 6 CYS CA . 27019 1 57 . 1 1 6 6 CYS CB C 13 38.751 0.03 . . . . . . . 6 CYS CB . 27019 1 58 . 1 1 6 6 CYS N N 15 118.601 0.03 . . . . . . . 6 CYS N . 27019 1 59 . 1 1 7 7 GLN H H 1 8.760 0.00 . . . . . . . 7 GLN H . 27019 1 60 . 1 1 7 7 GLN HA H 1 5.816 0.00 . . . . . . . 7 GLN HA . 27019 1 61 . 1 1 7 7 GLN HB2 H 1 1.944 0.00 . . . . . . . 7 GLN HB2 . 27019 1 62 . 1 1 7 7 GLN HB3 H 1 1.685 0.00 . . . . . . . 7 GLN HB3 . 27019 1 63 . 1 1 7 7 GLN C C 13 171.853 0.00 . . . . . . . 7 GLN C . 27019 1 64 . 1 1 7 7 GLN CA C 13 52.747 0.00 . . . . . . . 7 GLN CA . 27019 1 65 . 1 1 7 7 GLN CB C 13 26.963 0.10 . . . . . . . 7 GLN CB . 27019 1 66 . 1 1 7 7 GLN CG C 13 31.036 0.00 . . . . . . . 7 GLN CG . 27019 1 67 . 1 1 7 7 GLN N N 15 121.484 0.02 . . . . . . . 7 GLN N . 27019 1 68 . 1 1 8 8 LYS H H 1 8.315 0.00 . . . . . . . 8 LYS H . 27019 1 69 . 1 1 8 8 LYS HA H 1 4.074 0.01 . . . . . . . 8 LYS HA . 27019 1 70 . 1 1 8 8 LYS HB2 H 1 1.729 0.00 . . . . . . . 8 LYS HB2 . 27019 1 71 . 1 1 8 8 LYS HG2 H 1 1.421 0.00 . . . . . . . 8 LYS HG2 . 27019 1 72 . 1 1 8 8 LYS C C 13 174.910 0.00 . . . . . . . 8 LYS C . 27019 1 73 . 1 1 8 8 LYS CA C 13 55.814 0.06 . . . . . . . 8 LYS CA . 27019 1 74 . 1 1 8 8 LYS CB C 13 29.352 0.05 . . . . . . . 8 LYS CB . 27019 1 75 . 1 1 8 8 LYS CG C 13 22.063 0.00 . . . . . . . 8 LYS CG . 27019 1 76 . 1 1 8 8 LYS CD C 13 26.690 0.00 . . . . . . . 8 LYS CD . 27019 1 77 . 1 1 8 8 LYS N N 15 120.896 0.06 . . . . . . . 8 LYS N . 27019 1 78 . 1 1 9 9 GLY H H 1 8.997 0.00 . . . . . . . 9 GLY H . 27019 1 79 . 1 1 9 9 GLY HA2 H 1 3.486 0.00 . . . . . . . 9 GLY HA . 27019 1 80 . 1 1 9 9 GLY HA3 H 1 3.486 0.00 . . . . . . . 9 GLY HA . 27019 1 81 . 1 1 9 9 GLY C C 13 175.192 0.00 . . . . . . . 9 GLY C . 27019 1 82 . 1 1 9 9 GLY CA C 13 42.553 0.06 . . . . . . . 9 GLY CA . 27019 1 83 . 1 1 9 9 GLY N N 15 112.389 0.08 . . . . . . . 9 GLY N . 27019 1 84 . 1 1 10 10 TYR H H 1 8.414 0.00 . . . . . . . 10 TYR H . 27019 1 85 . 1 1 10 10 TYR HA H 1 5.279 0.00 . . . . . . . 10 TYR HA . 27019 1 86 . 1 1 10 10 TYR HB2 H 1 3.246 0.00 . . . . . . . 10 TYR HB2 . 27019 1 87 . 1 1 10 10 TYR HB3 H 1 2.380 0.00 . . . . . . . 10 TYR HB3 . 27019 1 88 . 1 1 10 10 TYR C C 13 171.285 0.00 . . . . . . . 10 TYR C . 27019 1 89 . 1 1 10 10 TYR CA C 13 53.558 0.13 . . . . . . . 10 TYR CA . 27019 1 90 . 1 1 10 10 TYR CB C 13 38.471 0.03 . . . . . . . 10 TYR CB . 27019 1 91 . 1 1 10 10 TYR N N 15 122.218 0.04 . . . . . . . 10 TYR N . 27019 1 92 . 1 1 11 11 PHE H H 1 9.419 0.01 . . . . . . . 11 PHE H . 27019 1 93 . 1 1 11 11 PHE HA H 1 5.166 0.00 . . . . . . . 11 PHE HA . 27019 1 94 . 1 1 11 11 PHE C C 13 171.760 0.00 . . . . . . . 11 PHE C . 27019 1 95 . 1 1 11 11 PHE CA C 13 51.731 0.00 . . . . . . . 11 PHE CA . 27019 1 96 . 1 1 11 11 PHE CB C 13 38.294 0.00 . . . . . . . 11 PHE CB . 27019 1 97 . 1 1 11 11 PHE N N 15 119.147 0.02 . . . . . . . 11 PHE N . 27019 1 98 . 1 1 12 12 PRO HB2 H 1 2.713 0.00 . . . . . . . 12 PRO HB2 . 27019 1 99 . 1 1 12 12 PRO HG2 H 1 2.483 0.00 . . . . . . . 12 PRO HG2 . 27019 1 100 . 1 1 12 12 PRO CA C 13 59.281 0.00 . . . . . . . 12 PRO CA . 27019 1 101 . 1 1 12 12 PRO CB C 13 30.162 0.02 . . . . . . . 12 PRO CB . 27019 1 102 . 1 1 12 12 PRO CG C 13 24.357 0.00 . . . . . . . 12 PRO CG . 27019 1 103 . 1 1 13 13 CYS H H 1 8.181 0.01 . . . . . . . 13 CYS H . 27019 1 104 . 1 1 13 13 CYS HA H 1 4.765 0.00 . . . . . . . 13 CYS HA . 27019 1 105 . 1 1 13 13 CYS HB2 H 1 3.386 0.00 . . . . . . . 13 CYS HB2 . 27019 1 106 . 1 1 13 13 CYS HG H 1 2.739 0.00 . . . . . . . 13 CYS HG . 27019 1 107 . 1 1 13 13 CYS C C 13 175.822 0.00 . . . . . . . 13 CYS C . 27019 1 108 . 1 1 13 13 CYS CA C 13 52.666 0.00 . . . . . . . 13 CYS CA . 27019 1 109 . 1 1 13 13 CYS CB C 13 35.432 0.09 . . . . . . . 13 CYS CB . 27019 1 110 . 1 1 13 13 CYS N N 15 119.882 0.07 . . . . . . . 13 CYS N . 27019 1 111 . 1 1 14 14 GLY H H 1 8.035 0.01 . . . . . . . 14 GLY H . 27019 1 112 . 1 1 14 14 GLY HA2 H 1 3.924 0.00 . . . . . . . 14 GLY HA2 . 27019 1 113 . 1 1 14 14 GLY HA3 H 1 3.682 0.00 . . . . . . . 14 GLY HA3 . 27019 1 114 . 1 1 14 14 GLY C C 13 173.724 0.00 . . . . . . . 14 GLY C . 27019 1 115 . 1 1 14 14 GLY CA C 13 44.736 0.05 . . . . . . . 14 GLY CA . 27019 1 116 . 1 1 14 14 GLY N N 15 112.756 0.10 . . . . . . . 14 GLY N . 27019 1 117 . 1 1 15 15 ASN H H 1 8.684 0.00 . . . . . . . 15 ASN H . 27019 1 118 . 1 1 15 15 ASN HA H 1 4.530 0.00 . . . . . . . 15 ASN HA . 27019 1 119 . 1 1 15 15 ASN HB2 H 1 2.925 0.00 . . . . . . . 15 ASN HB2 . 27019 1 120 . 1 1 15 15 ASN HB3 H 1 2.717 0.00 . . . . . . . 15 ASN HB3 . 27019 1 121 . 1 1 15 15 ASN C C 13 171.442 0.00 . . . . . . . 15 ASN C . 27019 1 122 . 1 1 15 15 ASN CA C 13 50.940 0.08 . . . . . . . 15 ASN CA . 27019 1 123 . 1 1 15 15 ASN CB C 13 35.289 0.02 . . . . . . . 15 ASN CB . 27019 1 124 . 1 1 15 15 ASN N N 15 124.215 0.06 . . . . . . . 15 ASN N . 27019 1 125 . 1 1 16 16 LEU H H 1 7.589 0.00 . . . . . . . 16 LEU H . 27019 1 126 . 1 1 16 16 LEU HA H 1 4.364 0.00 . . . . . . . 16 LEU HA . 27019 1 127 . 1 1 16 16 LEU HB2 H 1 1.650 0.00 . . . . . . . 16 LEU HB2 . 27019 1 128 . 1 1 16 16 LEU HB3 H 1 1.464 0.00 . . . . . . . 16 LEU HB3 . 27019 1 129 . 1 1 16 16 LEU HG H 1 0.791 0.00 . . . . . . . 16 LEU HG . 27019 1 130 . 1 1 16 16 LEU C C 13 172.525 0.00 . . . . . . . 16 LEU C . 27019 1 131 . 1 1 16 16 LEU CA C 13 51.278 0.04 . . . . . . . 16 LEU CA . 27019 1 132 . 1 1 16 16 LEU CB C 13 40.358 0.06 . . . . . . . 16 LEU CB . 27019 1 133 . 1 1 16 16 LEU CG C 13 23.773 0.00 . . . . . . . 16 LEU CG . 27019 1 134 . 1 1 16 16 LEU CD1 C 13 23.773 0.00 . . . . . . . 16 LEU CD1 . 27019 1 135 . 1 1 16 16 LEU N N 15 120.379 0.03 . . . . . . . 16 LEU N . 27019 1 136 . 1 1 17 17 THR H H 1 7.941 0.00 . . . . . . . 17 THR H . 27019 1 137 . 1 1 17 17 THR HA H 1 6.047 0.00 . . . . . . . 17 THR HA . 27019 1 138 . 1 1 17 17 THR HB H 1 3.160 0.00 . . . . . . . 17 THR HB . 27019 1 139 . 1 1 17 17 THR HG1 H 1 3.645 0.00 . . . . . . . 17 THR HG1 . 27019 1 140 . 1 1 17 17 THR HG21 H 1 0.655 0.00 . . . . . . . 17 THR HG2 . 27019 1 141 . 1 1 17 17 THR HG22 H 1 0.655 0.00 . . . . . . . 17 THR HG2 . 27019 1 142 . 1 1 17 17 THR HG23 H 1 0.655 0.00 . . . . . . . 17 THR HG2 . 27019 1 143 . 1 1 17 17 THR C C 13 174.788 0.00 . . . . . . . 17 THR C . 27019 1 144 . 1 1 17 17 THR CA C 13 57.399 0.08 . . . . . . . 17 THR CA . 27019 1 145 . 1 1 17 17 THR CB C 13 64.335 0.22 . . . . . . . 17 THR CB . 27019 1 146 . 1 1 17 17 THR CG2 C 13 18.564 0.00 . . . . . . . 17 THR CG . 27019 1 147 . 1 1 17 17 THR N N 15 114.715 0.05 . . . . . . . 17 THR N . 27019 1 148 . 1 1 18 18 LYS H H 1 7.609 0.00 . . . . . . . 18 LYS H . 27019 1 149 . 1 1 18 18 LYS HA H 1 4.347 0.01 . . . . . . . 18 LYS HA . 27019 1 150 . 1 1 18 18 LYS HB2 H 1 1.673 0.00 . . . . . . . 18 LYS HB2 . 27019 1 151 . 1 1 18 18 LYS HB3 H 1 1.499 0.00 . . . . . . . 18 LYS HB3 . 27019 1 152 . 1 1 18 18 LYS HG2 H 1 1.290 0.00 . . . . . . . 18 LYS HG2 . 27019 1 153 . 1 1 18 18 LYS HG3 H 1 1.093 0.00 . . . . . . . 18 LYS HG3 . 27019 1 154 . 1 1 18 18 LYS C C 13 171.223 0.00 . . . . . . . 18 LYS C . 27019 1 155 . 1 1 18 18 LYS CA C 13 52.933 0.04 . . . . . . . 18 LYS CA . 27019 1 156 . 1 1 18 18 LYS CB C 13 33.196 0.03 . . . . . . . 18 LYS CB . 27019 1 157 . 1 1 18 18 LYS CG C 13 22.150 0.00 . . . . . . . 18 LYS CG . 27019 1 158 . 1 1 18 18 LYS CD C 13 27.295 0.00 . . . . . . . 18 LYS CD . 27019 1 159 . 1 1 18 18 LYS N N 15 123.831 0.04 . . . . . . . 18 LYS N . 27019 1 160 . 1 1 19 19 CYS H H 1 8.633 0.00 . . . . . . . 19 CYS H . 27019 1 161 . 1 1 19 19 CYS HA H 1 5.362 0.00 . . . . . . . 19 CYS HA . 27019 1 162 . 1 1 19 19 CYS HB2 H 1 2.988 0.00 . . . . . . . 19 CYS HB2 . 27019 1 163 . 1 1 19 19 CYS HB3 H 1 2.844 0.00 . . . . . . . 19 CYS HB3 . 27019 1 164 . 1 1 19 19 CYS HG H 1 2.694 0.00 . . . . . . . 19 CYS HG . 27019 1 165 . 1 1 19 19 CYS C C 13 171.296 0.00 . . . . . . . 19 CYS C . 27019 1 166 . 1 1 19 19 CYS CA C 13 51.997 0.06 . . . . . . . 19 CYS CA . 27019 1 167 . 1 1 19 19 CYS CB C 13 43.015 0.02 . . . . . . . 19 CYS CB . 27019 1 168 . 1 1 19 19 CYS N N 15 123.106 0.04 . . . . . . . 19 CYS N . 27019 1 169 . 1 1 20 20 LEU H H 1 8.782 0.01 . . . . . . . 20 LEU H . 27019 1 170 . 1 1 20 20 LEU HA H 1 4.866 0.00 . . . . . . . 20 LEU HA . 27019 1 171 . 1 1 20 20 LEU C C 13 171.155 0.00 . . . . . . . 20 LEU C . 27019 1 172 . 1 1 20 20 LEU CA C 13 48.551 0.00 . . . . . . . 20 LEU CA . 27019 1 173 . 1 1 20 20 LEU CB C 13 42.437 0.00 . . . . . . . 20 LEU CB . 27019 1 174 . 1 1 20 20 LEU N N 15 122.661 0.05 . . . . . . . 20 LEU N . 27019 1 175 . 1 1 21 21 PRO HB2 H 1 1.492 0.00 . . . . . . . 21 PRO HB2 . 27019 1 176 . 1 1 21 21 PRO HD2 H 1 3.565 0.00 . . . . . . . 21 PRO HD2 . 27019 1 177 . 1 1 21 21 PRO CA C 13 59.859 0.01 . . . . . . . 21 PRO CA . 27019 1 178 . 1 1 21 21 PRO CB C 13 29.203 0.05 . . . . . . . 21 PRO CB . 27019 1 179 . 1 1 21 21 PRO CG C 13 24.410 0.00 . . . . . . . 21 PRO CG . 27019 1 180 . 1 1 22 22 ARG H H 1 7.927 0.00 . . . . . . . 22 ARG H . 27019 1 181 . 1 1 22 22 ARG HA H 1 4.001 0.00 . . . . . . . 22 ARG HA . 27019 1 182 . 1 1 22 22 ARG HB2 H 1 1.766 0.00 . . . . . . . 22 ARG HB2 . 27019 1 183 . 1 1 22 22 ARG HB3 H 1 1.626 0.00 . . . . . . . 22 ARG HB3 . 27019 1 184 . 1 1 22 22 ARG HG2 H 1 1.476 0.00 . . . . . . . 22 ARG HG2 . 27019 1 185 . 1 1 22 22 ARG C C 13 174.763 0.00 . . . . . . . 22 ARG C . 27019 1 186 . 1 1 22 22 ARG CA C 13 57.275 0.05 . . . . . . . 22 ARG CA . 27019 1 187 . 1 1 22 22 ARG CB C 13 27.319 0.07 . . . . . . . 22 ARG CB . 27019 1 188 . 1 1 22 22 ARG CG C 13 24.820 0.00 . . . . . . . 22 ARG CG . 27019 1 189 . 1 1 22 22 ARG CD C 13 40.511 0.00 . . . . . . . 22 ARG CD . 27019 1 190 . 1 1 22 22 ARG N N 15 120.823 0.05 . . . . . . . 22 ARG N . 27019 1 191 . 1 1 23 23 ALA H H 1 8.473 0.01 . . . . . . . 23 ALA H . 27019 1 192 . 1 1 23 23 ALA HA H 1 4.031 0.00 . . . . . . . 23 ALA HA . 27019 1 193 . 1 1 23 23 ALA HB1 H 1 1.107 0.00 . . . . . . . 23 ALA HB . 27019 1 194 . 1 1 23 23 ALA HB2 H 1 1.107 0.00 . . . . . . . 23 ALA HB . 27019 1 195 . 1 1 23 23 ALA HB3 H 1 1.107 0.00 . . . . . . . 23 ALA HB . 27019 1 196 . 1 1 23 23 ALA C C 13 174.701 0.00 . . . . . . . 23 ALA C . 27019 1 197 . 1 1 23 23 ALA CA C 13 51.820 0.03 . . . . . . . 23 ALA CA . 27019 1 198 . 1 1 23 23 ALA CB C 13 15.675 0.03 . . . . . . . 23 ALA CB . 27019 1 199 . 1 1 23 23 ALA N N 15 121.176 0.04 . . . . . . . 23 ALA N . 27019 1 200 . 1 1 24 24 PHE H H 1 7.908 0.01 . . . . . . . 24 PHE H . 27019 1 201 . 1 1 24 24 PHE HA H 1 4.879 0.00 . . . . . . . 24 PHE HA . 27019 1 202 . 1 1 24 24 PHE HB2 H 1 3.757 0.00 . . . . . . . 24 PHE HB2 . 27019 1 203 . 1 1 24 24 PHE HB3 H 1 2.987 0.00 . . . . . . . 24 PHE HB3 . 27019 1 204 . 1 1 24 24 PHE C C 13 175.204 0.00 . . . . . . . 24 PHE C . 27019 1 205 . 1 1 24 24 PHE CA C 13 53.538 0.04 . . . . . . . 24 PHE CA . 27019 1 206 . 1 1 24 24 PHE CB C 13 34.888 0.04 . . . . . . . 24 PHE CB . 27019 1 207 . 1 1 24 24 PHE N N 15 112.143 0.03 . . . . . . . 24 PHE N . 27019 1 208 . 1 1 25 25 HIS H H 1 8.441 0.00 . . . . . . . 25 HIS H . 27019 1 209 . 1 1 25 25 HIS HA H 1 4.547 0.02 . . . . . . . 25 HIS HA . 27019 1 210 . 1 1 25 25 HIS HB2 H 1 3.065 0.00 . . . . . . . 25 HIS HB2 . 27019 1 211 . 1 1 25 25 HIS HB3 H 1 2.322 0.00 . . . . . . . 25 HIS HB3 . 27019 1 212 . 1 1 25 25 HIS C C 13 175.132 0.00 . . . . . . . 25 HIS C . 27019 1 213 . 1 1 25 25 HIS CA C 13 53.065 0.07 . . . . . . . 25 HIS CA . 27019 1 214 . 1 1 25 25 HIS CB C 13 26.122 0.02 . . . . . . . 25 HIS CB . 27019 1 215 . 1 1 25 25 HIS N N 15 125.966 0.19 . . . . . . . 25 HIS N . 27019 1 216 . 1 1 26 26 CYS H H 1 8.886 0.01 . . . . . . . 26 CYS H . 27019 1 217 . 1 1 26 26 CYS HA H 1 4.531 0.00 . . . . . . . 26 CYS HA . 27019 1 218 . 1 1 26 26 CYS HB2 H 1 2.910 0.00 . . . . . . . 26 CYS HB2 . 27019 1 219 . 1 1 26 26 CYS HB3 H 1 2.580 0.00 . . . . . . . 26 CYS HB3 . 27019 1 220 . 1 1 26 26 CYS C C 13 169.703 0.00 . . . . . . . 26 CYS C . 27019 1 221 . 1 1 26 26 CYS CA C 13 54.174 0.01 . . . . . . . 26 CYS CA . 27019 1 222 . 1 1 26 26 CYS CB C 13 34.566 0.06 . . . . . . . 26 CYS CB . 27019 1 223 . 1 1 26 26 CYS N N 15 125.674 0.02 . . . . . . . 26 CYS N . 27019 1 224 . 1 1 27 27 ASP H H 1 9.472 0.00 . . . . . . . 27 ASP H . 27019 1 225 . 1 1 27 27 ASP HA H 1 4.715 0.01 . . . . . . . 27 ASP HA . 27019 1 226 . 1 1 27 27 ASP HB2 H 1 2.989 0.00 . . . . . . . 27 ASP HB2 . 27019 1 227 . 1 1 27 27 ASP HB3 H 1 2.488 0.00 . . . . . . . 27 ASP HB3 . 27019 1 228 . 1 1 27 27 ASP C C 13 172.113 0.00 . . . . . . . 27 ASP C . 27019 1 229 . 1 1 27 27 ASP CA C 13 49.659 0.05 . . . . . . . 27 ASP CA . 27019 1 230 . 1 1 27 27 ASP CB C 13 38.671 0.01 . . . . . . . 27 ASP CB . 27019 1 231 . 1 1 27 27 ASP N N 15 120.564 0.03 . . . . . . . 27 ASP N . 27019 1 232 . 1 1 28 28 GLY H H 1 9.226 0.01 . . . . . . . 28 GLY H . 27019 1 233 . 1 1 28 28 GLY HA2 H 1 4.091 0.01 . . . . . . . 28 GLY HA2 . 27019 1 234 . 1 1 28 28 GLY HA3 H 1 3.447 0.00 . . . . . . . 28 GLY HA3 . 27019 1 235 . 1 1 28 28 GLY C C 13 175.384 0.00 . . . . . . . 28 GLY C . 27019 1 236 . 1 1 28 28 GLY CA C 13 42.920 0.06 . . . . . . . 28 GLY CA . 27019 1 237 . 1 1 28 28 GLY N N 15 110.112 0.06 . . . . . . . 28 GLY N . 27019 1 238 . 1 1 29 29 LYS H H 1 7.222 0.00 . . . . . . . 29 LYS H . 27019 1 239 . 1 1 29 29 LYS HA H 1 4.671 0.00 . . . . . . . 29 LYS HA . 27019 1 240 . 1 1 29 29 LYS HB2 H 1 1.730 0.00 . . . . . . . 29 LYS HB2 . 27019 1 241 . 1 1 29 29 LYS HB3 H 1 1.522 0.00 . . . . . . . 29 LYS HB3 . 27019 1 242 . 1 1 29 29 LYS HG2 H 1 1.325 0.00 . . . . . . . 29 LYS HG2 . 27019 1 243 . 1 1 29 29 LYS HG3 H 1 1.000 0.00 . . . . . . . 29 LYS HG3 . 27019 1 244 . 1 1 29 29 LYS C C 13 170.649 0.00 . . . . . . . 29 LYS C . 27019 1 245 . 1 1 29 29 LYS CA C 13 51.180 0.00 . . . . . . . 29 LYS CA . 27019 1 246 . 1 1 29 29 LYS CB C 13 32.167 0.05 . . . . . . . 29 LYS CB . 27019 1 247 . 1 1 29 29 LYS CG C 13 20.856 0.00 . . . . . . . 29 LYS CG . 27019 1 248 . 1 1 29 29 LYS CD C 13 26.554 0.00 . . . . . . . 29 LYS CD . 27019 1 249 . 1 1 29 29 LYS N N 15 115.295 0.06 . . . . . . . 29 LYS N . 27019 1 250 . 1 1 30 30 ASP H H 1 8.955 0.00 . . . . . . . 30 ASP H . 27019 1 251 . 1 1 30 30 ASP HA H 1 4.557 0.03 . . . . . . . 30 ASP HA . 27019 1 252 . 1 1 30 30 ASP HB2 H 1 2.774 0.00 . . . . . . . 30 ASP HB2 . 27019 1 253 . 1 1 30 30 ASP HB3 H 1 2.571 0.00 . . . . . . . 30 ASP HB3 . 27019 1 254 . 1 1 30 30 ASP C C 13 171.872 0.00 . . . . . . . 30 ASP C . 27019 1 255 . 1 1 30 30 ASP CA C 13 51.153 0.04 . . . . . . . 30 ASP CA . 27019 1 256 . 1 1 30 30 ASP CB C 13 37.045 0.02 . . . . . . . 30 ASP CB . 27019 1 257 . 1 1 30 30 ASP N N 15 125.654 0.05 . . . . . . . 30 ASP N . 27019 1 258 . 1 1 31 31 ASP H H 1 10.636 0.00 . . . . . . . 31 ASP H . 27019 1 259 . 1 1 31 31 ASP HA H 1 4.552 0.01 . . . . . . . 31 ASP HA . 27019 1 260 . 1 1 31 31 ASP HB2 H 1 2.450 0.00 . . . . . . . 31 ASP HB2 . 27019 1 261 . 1 1 31 31 ASP C C 13 172.612 0.00 . . . . . . . 31 ASP C . 27019 1 262 . 1 1 31 31 ASP CA C 13 52.803 0.04 . . . . . . . 31 ASP CA . 27019 1 263 . 1 1 31 31 ASP CB C 13 41.886 0.03 . . . . . . . 31 ASP CB . 27019 1 264 . 1 1 31 31 ASP N N 15 128.365 0.05 . . . . . . . 31 ASP N . 27019 1 265 . 1 1 32 32 CYS H H 1 8.813 0.00 . . . . . . . 32 CYS H . 27019 1 266 . 1 1 32 32 CYS HA H 1 4.281 0.01 . . . . . . . 32 CYS HA . 27019 1 267 . 1 1 32 32 CYS HB2 H 1 3.248 0.00 . . . . . . . 32 CYS HB2 . 27019 1 268 . 1 1 32 32 CYS C C 13 174.220 0.00 . . . . . . . 32 CYS C . 27019 1 269 . 1 1 32 32 CYS CA C 13 55.614 0.03 . . . . . . . 32 CYS CA . 27019 1 270 . 1 1 32 32 CYS CB C 13 38.698 0.03 . . . . . . . 32 CYS CB . 27019 1 271 . 1 1 32 32 CYS N N 15 119.434 0.04 . . . . . . . 32 CYS N . 27019 1 272 . 1 1 33 33 GLY H H 1 9.574 0.00 . . . . . . . 33 GLY H . 27019 1 273 . 1 1 33 33 GLY HA2 H 1 4.295 0.00 . . . . . . . 33 GLY HA2 . 27019 1 274 . 1 1 33 33 GLY HA3 H 1 3.475 0.00 . . . . . . . 33 GLY HA3 . 27019 1 275 . 1 1 33 33 GLY C C 13 172.864 0.00 . . . . . . . 33 GLY C . 27019 1 276 . 1 1 33 33 GLY CA C 13 42.381 0.08 . . . . . . . 33 GLY CA . 27019 1 277 . 1 1 33 33 GLY N N 15 111.013 0.03 . . . . . . . 33 GLY N . 27019 1 278 . 1 1 34 34 ASN H H 1 7.211 0.00 . . . . . . . 34 ASN H . 27019 1 279 . 1 1 34 34 ASN HA H 1 4.814 0.00 . . . . . . . 34 ASN HA . 27019 1 280 . 1 1 34 34 ASN HB2 H 1 3.293 0.00 . . . . . . . 34 ASN HB2 . 27019 1 281 . 1 1 34 34 ASN HB3 H 1 2.650 0.00 . . . . . . . 34 ASN HB3 . 27019 1 282 . 1 1 34 34 ASN C C 13 170.305 0.00 . . . . . . . 34 ASN C . 27019 1 283 . 1 1 34 34 ASN CA C 13 48.434 0.01 . . . . . . . 34 ASN CA . 27019 1 284 . 1 1 34 34 ASN CB C 13 36.439 0.07 . . . . . . . 34 ASN CB . 27019 1 285 . 1 1 34 34 ASN N N 15 115.906 0.07 . . . . . . . 34 ASN N . 27019 1 286 . 1 1 35 35 GLY H H 1 9.141 0.00 . . . . . . . 35 GLY H . 27019 1 287 . 1 1 35 35 GLY HA2 H 1 4.008 0.00 . . . . . . . 35 GLY HA2 . 27019 1 288 . 1 1 35 35 GLY HA3 H 1 3.389 0.00 . . . . . . . 35 GLY HA3 . 27019 1 289 . 1 1 35 35 GLY C C 13 174.860 0.00 . . . . . . . 35 GLY C . 27019 1 290 . 1 1 35 35 GLY CA C 13 43.027 0.04 . . . . . . . 35 GLY CA . 27019 1 291 . 1 1 35 35 GLY N N 15 110.036 0.03 . . . . . . . 35 GLY N . 27019 1 292 . 1 1 36 36 ALA H H 1 7.858 0.00 . . . . . . . 36 ALA H . 27019 1 293 . 1 1 36 36 ALA HA H 1 4.561 0.52 . . . . . . . 36 ALA HA . 27019 1 294 . 1 1 36 36 ALA HB1 H 1 1.505 0.00 . . . . . . . 36 ALA HB . 27019 1 295 . 1 1 36 36 ALA HB2 H 1 1.505 0.00 . . . . . . . 36 ALA HB . 27019 1 296 . 1 1 36 36 ALA HB3 H 1 1.505 0.00 . . . . . . . 36 ALA HB . 27019 1 297 . 1 1 36 36 ALA C C 13 174.354 0.00 . . . . . . . 36 ALA C . 27019 1 298 . 1 1 36 36 ALA CA C 13 52.936 0.04 . . . . . . . 36 ALA CA . 27019 1 299 . 1 1 36 36 ALA CB C 13 16.186 0.01 . . . . . . . 36 ALA CB . 27019 1 300 . 1 1 36 36 ALA N N 15 122.611 0.04 . . . . . . . 36 ALA N . 27019 1 301 . 1 1 37 37 ASP H H 1 10.275 0.01 . . . . . . . 37 ASP H . 27019 1 302 . 1 1 37 37 ASP HA H 1 4.424 0.00 . . . . . . . 37 ASP HA . 27019 1 303 . 1 1 37 37 ASP HB2 H 1 3.178 0.00 . . . . . . . 37 ASP HB2 . 27019 1 304 . 1 1 37 37 ASP HB3 H 1 2.988 0.00 . . . . . . . 37 ASP HB3 . 27019 1 305 . 1 1 37 37 ASP C C 13 175.930 0.00 . . . . . . . 37 ASP C . 27019 1 306 . 1 1 37 37 ASP CA C 13 51.659 0.03 . . . . . . . 37 ASP CA . 27019 1 307 . 1 1 37 37 ASP CB C 13 37.044 0.01 . . . . . . . 37 ASP CB . 27019 1 308 . 1 1 37 37 ASP N N 15 110.062 0.02 . . . . . . . 37 ASP N . 27019 1 309 . 1 1 38 38 GLU H H 1 7.574 0.01 . . . . . . . 38 GLU H . 27019 1 310 . 1 1 38 38 GLU HA H 1 4.526 0.01 . . . . . . . 38 GLU HA . 27019 1 311 . 1 1 38 38 GLU HB2 H 1 1.888 0.00 . . . . . . . 38 GLU HB2 . 27019 1 312 . 1 1 38 38 GLU HB3 H 1 1.399 0.00 . . . . . . . 38 GLU HB3 . 27019 1 313 . 1 1 38 38 GLU HG2 H 1 2.392 0.00 . . . . . . . 38 GLU HG2 . 27019 1 314 . 1 1 38 38 GLU HG3 H 1 2.087 0.00 . . . . . . . 38 GLU HG3 . 27019 1 315 . 1 1 38 38 GLU C C 13 171.965 0.00 . . . . . . . 38 GLU C . 27019 1 316 . 1 1 38 38 GLU CA C 13 51.434 0.12 . . . . . . . 38 GLU CA . 27019 1 317 . 1 1 38 38 GLU CB C 13 27.584 0.02 . . . . . . . 38 GLU CB . 27019 1 318 . 1 1 38 38 GLU CG C 13 33.835 0.00 . . . . . . . 38 GLU CG . 27019 1 319 . 1 1 38 38 GLU N N 15 117.410 0.15 . . . . . . . 38 GLU N . 27019 1 320 . 1 1 39 39 GLU H H 1 6.893 0.01 . . . . . . . 39 GLU H . 27019 1 321 . 1 1 39 39 GLU HA H 1 4.278 0.00 . . . . . . . 39 GLU HA . 27019 1 322 . 1 1 39 39 GLU HB2 H 1 1.917 0.00 . . . . . . . 39 GLU HB2 . 27019 1 323 . 1 1 39 39 GLU HG2 H 1 2.360 0.00 . . . . . . . 39 GLU HG2 . 27019 1 324 . 1 1 39 39 GLU HG3 H 1 2.170 0.00 . . . . . . . 39 GLU HG3 . 27019 1 325 . 1 1 39 39 GLU C C 13 172.586 0.00 . . . . . . . 39 GLU C . 27019 1 326 . 1 1 39 39 GLU CA C 13 53.011 0.08 . . . . . . . 39 GLU CA . 27019 1 327 . 1 1 39 39 GLU CB C 13 28.844 0.01 . . . . . . . 39 GLU CB . 27019 1 328 . 1 1 39 39 GLU CG C 13 33.526 0.00 . . . . . . . 39 GLU CG . 27019 1 329 . 1 1 39 39 GLU N N 15 120.033 0.07 . . . . . . . 39 GLU N . 27019 1 330 . 1 1 40 40 ASN H H 1 8.940 0.00 . . . . . . . 40 ASN H . 27019 1 331 . 1 1 40 40 ASN HA H 1 4.465 0.00 . . . . . . . 40 ASN HA . 27019 1 332 . 1 1 40 40 ASN HB2 H 1 2.971 0.00 . . . . . . . 40 ASN HB2 . 27019 1 333 . 1 1 40 40 ASN HB3 H 1 2.757 0.00 . . . . . . . 40 ASN HB3 . 27019 1 334 . 1 1 40 40 ASN C C 13 173.103 0.00 . . . . . . . 40 ASN C . 27019 1 335 . 1 1 40 40 ASN CA C 13 51.333 0.00 . . . . . . . 40 ASN CA . 27019 1 336 . 1 1 40 40 ASN CB C 13 34.415 0.00 . . . . . . . 40 ASN CB . 27019 1 337 . 1 1 40 40 ASN N N 15 117.650 0.09 . . . . . . . 40 ASN N . 27019 1 338 . 1 1 41 41 CYS H H 1 8.253 0.01 . . . . . . . 41 CYS H . 27019 1 339 . 1 1 41 41 CYS HA H 1 4.474 0.00 . . . . . . . 41 CYS HA . 27019 1 340 . 1 1 41 41 CYS HB2 H 1 3.126 0.00 . . . . . . . 41 CYS HB2 . 27019 1 341 . 1 1 41 41 CYS HB3 H 1 2.902 0.00 . . . . . . . 41 CYS HB3 . 27019 1 342 . 1 1 41 41 CYS HG H 1 2.551 0.00 . . . . . . . 41 CYS HG . 27019 1 343 . 1 1 41 41 CYS C C 13 170.156 0.00 . . . . . . . 41 CYS C . 27019 1 344 . 1 1 41 41 CYS CA C 13 52.801 0.02 . . . . . . . 41 CYS CA . 27019 1 345 . 1 1 41 41 CYS CB C 13 36.327 0.03 . . . . . . . 41 CYS CB . 27019 1 346 . 1 1 41 41 CYS N N 15 116.562 0.11 . . . . . . . 41 CYS N . 27019 1 347 . 1 1 42 42 GLY H H 1 8.526 0.01 . . . . . . . 42 GLY H . 27019 1 348 . 1 1 42 42 GLY HA2 H 1 3.936 0.00 . . . . . . . 42 GLY HA2 . 27019 1 349 . 1 1 42 42 GLY HA3 H 1 3.765 0.00 . . . . . . . 42 GLY HA3 . 27019 1 350 . 1 1 42 42 GLY C C 13 173.364 0.00 . . . . . . . 42 GLY C . 27019 1 351 . 1 1 42 42 GLY CA C 13 42.892 0.03 . . . . . . . 42 GLY CA . 27019 1 352 . 1 1 42 42 GLY N N 15 109.633 0.04 . . . . . . . 42 GLY N . 27019 1 353 . 1 1 43 43 ASP H H 1 8.006 0.01 . . . . . . . 43 ASP H . 27019 1 354 . 1 1 43 43 ASP HA H 1 4.639 0.01 . . . . . . . 43 ASP HA . 27019 1 355 . 1 1 43 43 ASP HB2 H 1 2.755 0.00 . . . . . . . 43 ASP HB2 . 27019 1 356 . 1 1 43 43 ASP HB3 H 1 2.548 0.00 . . . . . . . 43 ASP HB3 . 27019 1 357 . 1 1 43 43 ASP C C 13 171.179 0.00 . . . . . . . 43 ASP C . 27019 1 358 . 1 1 43 43 ASP CA C 13 51.327 0.04 . . . . . . . 43 ASP CA . 27019 1 359 . 1 1 43 43 ASP CB C 13 38.355 0.05 . . . . . . . 43 ASP CB . 27019 1 360 . 1 1 43 43 ASP N N 15 120.365 0.06 . . . . . . . 43 ASP N . 27019 1 361 . 1 1 44 44 THR H H 1 8.155 0.00 . . . . . . . 44 THR H . 27019 1 362 . 1 1 44 44 THR HA H 1 4.693 0.00 . . . . . . . 44 THR HA . 27019 1 363 . 1 1 44 44 THR HB H 1 4.177 0.00 . . . . . . . 44 THR HB . 27019 1 364 . 1 1 44 44 THR HG1 H 1 5.161 0.00 . . . . . . . 44 THR HG1 . 27019 1 365 . 1 1 44 44 THR HG21 H 1 1.048 0.00 . . . . . . . 44 THR HG2 . 27019 1 366 . 1 1 44 44 THR HG22 H 1 1.048 0.00 . . . . . . . 44 THR HG2 . 27019 1 367 . 1 1 44 44 THR HG23 H 1 1.048 0.00 . . . . . . . 44 THR HG2 . 27019 1 368 . 1 1 44 44 THR C C 13 174.209 0.00 . . . . . . . 44 THR C . 27019 1 369 . 1 1 44 44 THR CA C 13 59.404 0.03 . . . . . . . 44 THR CA . 27019 1 370 . 1 1 44 44 THR CB C 13 66.494 0.10 . . . . . . . 44 THR CB . 27019 1 371 . 1 1 44 44 THR CG2 C 13 18.905 0.00 . . . . . . . 44 THR CG . 27019 1 372 . 1 1 44 44 THR N N 15 114.625 0.05 . . . . . . . 44 THR N . 27019 1 373 . 1 1 45 45 SER H H 1 8.313 0.01 . . . . . . . 45 SER H . 27019 1 374 . 1 1 45 45 SER HA H 1 4.255 0.00 . . . . . . . 45 SER HA . 27019 1 375 . 1 1 45 45 SER HB2 H 1 3.850 0.00 . . . . . . . 45 SER HB2 . 27019 1 376 . 1 1 45 45 SER HB3 H 1 3.725 0.00 . . . . . . . 45 SER HB3 . 27019 1 377 . 1 1 45 45 SER C C 13 172.865 0.00 . . . . . . . 45 SER C . 27019 1 378 . 1 1 45 45 SER CA C 13 57.187 0.07 . . . . . . . 45 SER CA . 27019 1 379 . 1 1 45 45 SER CB C 13 60.757 0.05 . . . . . . . 45 SER CB . 27019 1 380 . 1 1 45 45 SER N N 15 118.315 0.06 . . . . . . . 45 SER N . 27019 1 381 . 1 1 46 46 GLY H H 1 8.334 0.00 . . . . . . . 46 GLY H . 27019 1 382 . 1 1 46 46 GLY HA2 H 1 4.355 0.00 . . . . . . . 46 GLY HA2 . 27019 1 383 . 1 1 46 46 GLY HA3 H 1 3.832 0.00 . . . . . . . 46 GLY HA3 . 27019 1 384 . 1 1 46 46 GLY C C 13 172.882 0.00 . . . . . . . 46 GLY C . 27019 1 385 . 1 1 46 46 GLY CA C 13 43.099 0.05 . . . . . . . 46 GLY CA . 27019 1 386 . 1 1 46 46 GLY N N 15 110.793 0.05 . . . . . . . 46 GLY N . 27019 1 387 . 1 1 47 47 TRP H H 1 7.873 0.00 . . . . . . . 47 TRP H . 27019 1 388 . 1 1 47 47 TRP HA H 1 4.437 0.00 . . . . . . . 47 TRP HA . 27019 1 389 . 1 1 47 47 TRP HB2 H 1 3.259 0.00 . . . . . . . 47 TRP HB2 . 27019 1 390 . 1 1 47 47 TRP HB3 H 1 3.104 0.00 . . . . . . . 47 TRP HB3 . 27019 1 391 . 1 1 47 47 TRP C C 13 172.044 0.00 . . . . . . . 47 TRP C . 27019 1 392 . 1 1 47 47 TRP CA C 13 55.613 0.01 . . . . . . . 47 TRP CA . 27019 1 393 . 1 1 47 47 TRP CB C 13 26.715 0.04 . . . . . . . 47 TRP CB . 27019 1 394 . 1 1 47 47 TRP N N 15 121.061 0.03 . . . . . . . 47 TRP N . 27019 1 395 . 1 1 48 48 ALA H H 1 8.050 0.00 . . . . . . . 48 ALA H . 27019 1 396 . 1 1 48 48 ALA HA H 1 4.123 0.00 . . . . . . . 48 ALA HA . 27019 1 397 . 1 1 48 48 ALA HB1 H 1 1.236 0.00 . . . . . . . 48 ALA HB . 27019 1 398 . 1 1 48 48 ALA HB2 H 1 1.236 0.00 . . . . . . . 48 ALA HB . 27019 1 399 . 1 1 48 48 ALA HB3 H 1 1.236 0.00 . . . . . . . 48 ALA HB . 27019 1 400 . 1 1 48 48 ALA C C 13 173.755 0.00 . . . . . . . 48 ALA C . 27019 1 401 . 1 1 48 48 ALA CA C 13 50.758 0.02 . . . . . . . 48 ALA CA . 27019 1 402 . 1 1 48 48 ALA CB C 13 16.228 0.04 . . . . . . . 48 ALA CB . 27019 1 403 . 1 1 48 48 ALA N N 15 123.150 0.06 . . . . . . . 48 ALA N . 27019 1 404 . 1 1 49 49 THR H H 1 7.828 0.00 . . . . . . . 49 THR H . 27019 1 405 . 1 1 49 49 THR HA H 1 4.111 0.02 . . . . . . . 49 THR HA . 27019 1 406 . 1 1 49 49 THR HG21 H 1 1.061 0.00 . . . . . . . 49 THR HG2 . 27019 1 407 . 1 1 49 49 THR HG22 H 1 1.061 0.00 . . . . . . . 49 THR HG2 . 27019 1 408 . 1 1 49 49 THR HG23 H 1 1.061 0.00 . . . . . . . 49 THR HG2 . 27019 1 409 . 1 1 49 49 THR C C 13 175.694 0.00 . . . . . . . 49 THR C . 27019 1 410 . 1 1 49 49 THR CA C 13 60.341 0.01 . . . . . . . 49 THR CA . 27019 1 411 . 1 1 49 49 THR CB C 13 66.877 0.13 . . . . . . . 49 THR CB . 27019 1 412 . 1 1 49 49 THR CG2 C 13 18.976 0.00 . . . . . . . 49 THR CG . 27019 1 413 . 1 1 49 49 THR N N 15 112.610 0.04 . . . . . . . 49 THR N . 27019 1 414 . 1 1 50 50 ILE H H 1 7.769 0.01 . . . . . . . 50 ILE H . 27019 1 415 . 1 1 50 50 ILE HA H 1 3.916 0.01 . . . . . . . 50 ILE HA . 27019 1 416 . 1 1 50 50 ILE HB H 1 1.565 0.00 . . . . . . . 50 ILE HB . 27019 1 417 . 1 1 50 50 ILE HG21 H 1 0.494 0.00 . . . . . . . 50 ILE HG2 . 27019 1 418 . 1 1 50 50 ILE HG22 H 1 0.494 0.00 . . . . . . . 50 ILE HG2 . 27019 1 419 . 1 1 50 50 ILE HG23 H 1 0.494 0.00 . . . . . . . 50 ILE HG2 . 27019 1 420 . 1 1 50 50 ILE C C 13 172.280 0.00 . . . . . . . 50 ILE C . 27019 1 421 . 1 1 50 50 ILE CA C 13 59.425 0.00 . . . . . . . 50 ILE CA . 27019 1 422 . 1 1 50 50 ILE CB C 13 35.775 0.02 . . . . . . . 50 ILE CB . 27019 1 423 . 1 1 50 50 ILE CG1 C 13 24.692 0.00 . . . . . . . 50 ILE CG1 . 27019 1 424 . 1 1 50 50 ILE CG2 C 13 18.701 0.00 . . . . . . . 50 ILE CG2 . 27019 1 425 . 1 1 50 50 ILE CD1 C 13 14.689 0.00 . . . . . . . 50 ILE CD1 . 27019 1 426 . 1 1 50 50 ILE N N 15 121.881 0.04 . . . . . . . 50 ILE N . 27019 1 427 . 1 1 51 51 PHE H H 1 8.077 0.00 . . . . . . . 51 PHE H . 27019 1 428 . 1 1 51 51 PHE HA H 1 4.530 0.01 . . . . . . . 51 PHE HA . 27019 1 429 . 1 1 51 51 PHE HB2 H 1 3.049 0.00 . . . . . . . 51 PHE HB2 . 27019 1 430 . 1 1 51 51 PHE HB3 H 1 2.670 0.00 . . . . . . . 51 PHE HB3 . 27019 1 431 . 1 1 51 51 PHE C C 13 173.646 0.00 . . . . . . . 51 PHE C . 27019 1 432 . 1 1 51 51 PHE CA C 13 55.570 0.03 . . . . . . . 51 PHE CA . 27019 1 433 . 1 1 51 51 PHE CB C 13 36.669 0.04 . . . . . . . 51 PHE CB . 27019 1 434 . 1 1 51 51 PHE N N 15 121.508 0.09 . . . . . . . 51 PHE N . 27019 1 435 . 1 1 52 52 GLY H H 1 8.027 0.00 . . . . . . . 52 GLY H . 27019 1 436 . 1 1 52 52 GLY HA2 H 1 3.983 0.00 . . . . . . . 52 GLY HA2 . 27019 1 437 . 1 1 52 52 GLY HA3 H 1 3.789 0.00 . . . . . . . 52 GLY HA3 . 27019 1 438 . 1 1 52 52 GLY C C 13 173.680 0.00 . . . . . . . 52 GLY C . 27019 1 439 . 1 1 52 52 GLY CA C 13 42.824 0.03 . . . . . . . 52 GLY CA . 27019 1 440 . 1 1 52 52 GLY N N 15 109.337 0.02 . . . . . . . 52 GLY N . 27019 1 441 . 1 1 53 53 THR H H 1 7.939 0.00 . . . . . . . 53 THR H . 27019 1 442 . 1 1 53 53 THR HA H 1 4.303 0.00 . . . . . . . 53 THR HA . 27019 1 443 . 1 1 53 53 THR HB H 1 4.093 0.00 . . . . . . . 53 THR HB . 27019 1 444 . 1 1 53 53 THR HG21 H 1 1.074 0.00 . . . . . . . 53 THR HG2 . 27019 1 445 . 1 1 53 53 THR HG22 H 1 1.074 0.00 . . . . . . . 53 THR HG2 . 27019 1 446 . 1 1 53 53 THR HG23 H 1 1.074 0.00 . . . . . . . 53 THR HG2 . 27019 1 447 . 1 1 53 53 THR C C 13 171.379 0.00 . . . . . . . 53 THR C . 27019 1 448 . 1 1 53 53 THR CA C 13 59.270 0.00 . . . . . . . 53 THR CA . 27019 1 449 . 1 1 53 53 THR CB C 13 67.303 0.06 . . . . . . . 53 THR CB . 27019 1 450 . 1 1 53 53 THR CG2 C 13 18.833 0.00 . . . . . . . 53 THR CG . 27019 1 451 . 1 1 53 53 THR N N 15 113.502 0.05 . . . . . . . 53 THR N . 27019 1 452 . 1 1 54 54 VAL H H 1 8.078 0.00 . . . . . . . 54 VAL H . 27019 1 453 . 1 1 54 54 VAL HA H 1 4.005 0.00 . . . . . . . 54 VAL HA . 27019 1 454 . 1 1 54 54 VAL HB H 1 1.897 0.00 . . . . . . . 54 VAL HB . 27019 1 455 . 1 1 54 54 VAL HG11 H 1 0.855 0.00 . . . . . . . 54 VAL HG1 . 27019 1 456 . 1 1 54 54 VAL HG12 H 1 0.855 0.00 . . . . . . . 54 VAL HG1 . 27019 1 457 . 1 1 54 54 VAL HG13 H 1 0.855 0.00 . . . . . . . 54 VAL HG1 . 27019 1 458 . 1 1 54 54 VAL HG21 H 1 0.712 0.00 . . . . . . . 54 VAL HG2 . 27019 1 459 . 1 1 54 54 VAL HG22 H 1 0.712 0.00 . . . . . . . 54 VAL HG2 . 27019 1 460 . 1 1 54 54 VAL HG23 H 1 0.712 0.00 . . . . . . . 54 VAL HG2 . 27019 1 461 . 1 1 54 54 VAL C C 13 171.871 0.00 . . . . . . . 54 VAL C . 27019 1 462 . 1 1 54 54 VAL CA C 13 59.596 0.04 . . . . . . . 54 VAL CA . 27019 1 463 . 1 1 54 54 VAL CB C 13 29.915 0.01 . . . . . . . 54 VAL CB . 27019 1 464 . 1 1 54 54 VAL CG1 C 13 18.083 0.00 . . . . . . . 54 VAL CG1 . 27019 1 465 . 1 1 54 54 VAL CG2 C 13 18.083 0.00 . . . . . . . 54 VAL CG2 . 27019 1 466 . 1 1 54 54 VAL N N 15 122.123 0.03 . . . . . . . 54 VAL N . 27019 1 467 . 1 1 55 55 HIS H H 1 8.418 0.00 . . . . . . . 55 HIS H . 27019 1 468 . 1 1 55 55 HIS HA H 1 4.607 0.00 . . . . . . . 55 HIS HA . 27019 1 469 . 1 1 55 55 HIS HB2 H 1 3.156 0.00 . . . . . . . 55 HIS HB2 . 27019 1 470 . 1 1 55 55 HIS HB3 H 1 2.988 0.00 . . . . . . . 55 HIS HB3 . 27019 1 471 . 1 1 55 55 HIS C C 13 173.200 0.00 . . . . . . . 55 HIS C . 27019 1 472 . 1 1 55 55 HIS CA C 13 52.798 0.00 . . . . . . . 55 HIS CA . 27019 1 473 . 1 1 55 55 HIS CB C 13 27.198 0.00 . . . . . . . 55 HIS CB . 27019 1 474 . 1 1 55 55 HIS N N 15 122.474 0.07 . . . . . . . 55 HIS N . 27019 1 475 . 1 1 56 56 GLY H H 1 8.266 0.01 . . . . . . . 56 GLY H . 27019 1 476 . 1 1 56 56 GLY HA2 H 1 3.962 0.00 . . . . . . . 56 GLY HA2 . 27019 1 477 . 1 1 56 56 GLY HA3 H 1 3.869 0.00 . . . . . . . 56 GLY HA3 . 27019 1 478 . 1 1 56 56 GLY C C 13 172.488 0.00 . . . . . . . 56 GLY C . 27019 1 479 . 1 1 56 56 GLY CA C 13 42.603 0.05 . . . . . . . 56 GLY CA . 27019 1 480 . 1 1 56 56 GLY N N 15 110.049 0.04 . . . . . . . 56 GLY N . 27019 1 481 . 1 1 57 57 ASN H H 1 8.322 0.00 . . . . . . . 57 ASN H . 27019 1 482 . 1 1 57 57 ASN HA H 1 4.636 0.00 . . . . . . . 57 ASN HA . 27019 1 483 . 1 1 57 57 ASN HB2 H 1 2.781 0.00 . . . . . . . 57 ASN HB2 . 27019 1 484 . 1 1 57 57 ASN HB3 H 1 2.613 0.00 . . . . . . . 57 ASN HB3 . 27019 1 485 . 1 1 57 57 ASN C C 13 170.951 0.00 . . . . . . . 57 ASN C . 27019 1 486 . 1 1 57 57 ASN CA C 13 50.243 0.02 . . . . . . . 57 ASN CA . 27019 1 487 . 1 1 57 57 ASN CB C 13 36.416 0.03 . . . . . . . 57 ASN CB . 27019 1 488 . 1 1 57 57 ASN N N 15 118.741 0.03 . . . . . . . 57 ASN N . 27019 1 489 . 1 1 58 58 ALA H H 1 8.315 0.00 . . . . . . . 58 ALA H . 27019 1 490 . 1 1 58 58 ALA HA H 1 4.201 0.00 . . . . . . . 58 ALA HA . 27019 1 491 . 1 1 58 58 ALA HB1 H 1 1.297 0.00 . . . . . . . 58 ALA HB . 27019 1 492 . 1 1 58 58 ALA HB2 H 1 1.297 0.00 . . . . . . . 58 ALA HB . 27019 1 493 . 1 1 58 58 ALA HB3 H 1 1.297 0.00 . . . . . . . 58 ALA HB . 27019 1 494 . 1 1 58 58 ALA C C 13 172.506 0.00 . . . . . . . 58 ALA C . 27019 1 495 . 1 1 58 58 ALA CA C 13 50.177 0.07 . . . . . . . 58 ALA CA . 27019 1 496 . 1 1 58 58 ALA CB C 13 16.389 0.02 . . . . . . . 58 ALA CB . 27019 1 497 . 1 1 58 58 ALA N N 15 124.423 0.02 . . . . . . . 58 ALA N . 27019 1 498 . 1 1 59 59 ASN H H 1 8.314 0.00 . . . . . . . 59 ASN H . 27019 1 499 . 1 1 59 59 ASN HA H 1 4.622 0.00 . . . . . . . 59 ASN HA . 27019 1 500 . 1 1 59 59 ASN HB2 H 1 2.826 0.00 . . . . . . . 59 ASN HB2 . 27019 1 501 . 1 1 59 59 ASN HB3 H 1 2.632 0.00 . . . . . . . 59 ASN HB3 . 27019 1 502 . 1 1 59 59 ASN C C 13 174.800 0.00 . . . . . . . 59 ASN C . 27019 1 503 . 1 1 59 59 ASN CA C 13 50.693 0.06 . . . . . . . 59 ASN CA . 27019 1 504 . 1 1 59 59 ASN CB C 13 36.117 0.03 . . . . . . . 59 ASN CB . 27019 1 505 . 1 1 59 59 ASN N N 15 117.149 0.03 . . . . . . . 59 ASN N . 27019 1 506 . 1 1 60 60 SER H H 1 8.071 0.00 . . . . . . . 60 SER H . 27019 1 507 . 1 1 60 60 SER HA H 1 4.367 0.00 . . . . . . . 60 SER HA . 27019 1 508 . 1 1 60 60 SER HB2 H 1 3.874 0.00 . . . . . . . 60 SER HB2 . 27019 1 509 . 1 1 60 60 SER HB3 H 1 3.718 0.00 . . . . . . . 60 SER HB3 . 27019 1 510 . 1 1 60 60 SER C C 13 172.533 0.00 . . . . . . . 60 SER C . 27019 1 511 . 1 1 60 60 SER CA C 13 55.949 0.06 . . . . . . . 60 SER CA . 27019 1 512 . 1 1 60 60 SER CB C 13 61.029 0.03 . . . . . . . 60 SER CB . 27019 1 513 . 1 1 60 60 SER N N 15 115.828 0.04 . . . . . . . 60 SER N . 27019 1 514 . 1 1 61 61 VAL H H 1 7.984 0.00 . . . . . . . 61 VAL H . 27019 1 515 . 1 1 61 61 VAL HA H 1 4.053 0.00 . . . . . . . 61 VAL HA . 27019 1 516 . 1 1 61 61 VAL HB H 1 1.999 0.00 . . . . . . . 61 VAL HB . 27019 1 517 . 1 1 61 61 VAL HG11 H 1 0.936 0.00 . . . . . . . 61 VAL HG1 . 27019 1 518 . 1 1 61 61 VAL HG12 H 1 0.936 0.00 . . . . . . . 61 VAL HG1 . 27019 1 519 . 1 1 61 61 VAL HG13 H 1 0.936 0.00 . . . . . . . 61 VAL HG1 . 27019 1 520 . 1 1 61 61 VAL HG21 H 1 0.798 0.00 . . . . . . . 61 VAL HG2 . 27019 1 521 . 1 1 61 61 VAL HG22 H 1 0.798 0.00 . . . . . . . 61 VAL HG2 . 27019 1 522 . 1 1 61 61 VAL HG23 H 1 0.798 0.00 . . . . . . . 61 VAL HG2 . 27019 1 523 . 1 1 61 61 VAL C C 13 171.734 0.00 . . . . . . . 61 VAL C . 27019 1 524 . 1 1 61 61 VAL CA C 13 59.428 0.03 . . . . . . . 61 VAL CA . 27019 1 525 . 1 1 61 61 VAL CB C 13 30.006 0.03 . . . . . . . 61 VAL CB . 27019 1 526 . 1 1 61 61 VAL CG1 C 13 18.094 0.00 . . . . . . . 61 VAL CG1 . 27019 1 527 . 1 1 61 61 VAL CG2 C 13 18.094 0.00 . . . . . . . 61 VAL CG2 . 27019 1 528 . 1 1 61 61 VAL N N 15 121.338 0.03 . . . . . . . 61 VAL N . 27019 1 529 . 1 1 62 62 ALA H H 1 8.202 0.00 . . . . . . . 62 ALA H . 27019 1 530 . 1 1 62 62 ALA HA H 1 4.258 0.00 . . . . . . . 62 ALA HA . 27019 1 531 . 1 1 62 62 ALA HB1 H 1 1.279 0.00 . . . . . . . 62 ALA HB . 27019 1 532 . 1 1 62 62 ALA HB2 H 1 1.279 0.00 . . . . . . . 62 ALA HB . 27019 1 533 . 1 1 62 62 ALA HB3 H 1 1.279 0.00 . . . . . . . 62 ALA HB . 27019 1 534 . 1 1 62 62 ALA C C 13 172.957 0.00 . . . . . . . 62 ALA C . 27019 1 535 . 1 1 62 62 ALA CA C 13 49.636 0.02 . . . . . . . 62 ALA CA . 27019 1 536 . 1 1 62 62 ALA CB C 13 16.597 0.04 . . . . . . . 62 ALA CB . 27019 1 537 . 1 1 62 62 ALA N N 15 127.340 0.05 . . . . . . . 62 ALA N . 27019 1 538 . 1 1 63 63 LEU H H 1 8.115 0.00 . . . . . . . 63 LEU H . 27019 1 539 . 1 1 63 63 LEU HA H 1 4.354 0.00 . . . . . . . 63 LEU HA . 27019 1 540 . 1 1 63 63 LEU HB2 H 1 1.603 0.00 . . . . . . . 63 LEU HB2 . 27019 1 541 . 1 1 63 63 LEU HB3 H 1 1.453 0.00 . . . . . . . 63 LEU HB3 . 27019 1 542 . 1 1 63 63 LEU HG H 1 1.276 0.00 . . . . . . . 63 LEU HG . 27019 1 543 . 1 1 63 63 LEU HD11 H 1 0.945 0.00 . . . . . . . 63 LEU HD1 . 27019 1 544 . 1 1 63 63 LEU HD12 H 1 0.945 0.00 . . . . . . . 63 LEU HD1 . 27019 1 545 . 1 1 63 63 LEU HD13 H 1 0.945 0.00 . . . . . . . 63 LEU HD1 . 27019 1 546 . 1 1 63 63 LEU HD21 H 1 0.784 0.00 . . . . . . . 63 LEU HD2 . 27019 1 547 . 1 1 63 63 LEU HD22 H 1 0.784 0.00 . . . . . . . 63 LEU HD2 . 27019 1 548 . 1 1 63 63 LEU HD23 H 1 0.784 0.00 . . . . . . . 63 LEU HD2 . 27019 1 549 . 1 1 63 63 LEU C C 13 174.613 0.00 . . . . . . . 63 LEU C . 27019 1 550 . 1 1 63 63 LEU CA C 13 52.383 0.03 . . . . . . . 63 LEU CA . 27019 1 551 . 1 1 63 63 LEU CB C 13 39.844 0.01 . . . . . . . 63 LEU CB . 27019 1 552 . 1 1 63 63 LEU CG C 13 20.632 0.00 . . . . . . . 63 LEU CG . 27019 1 553 . 1 1 63 63 LEU CD1 C 13 22.417 0.00 . . . . . . . 63 LEU CD1 . 27019 1 554 . 1 1 63 63 LEU CD2 C 13 24.281 0.00 . . . . . . . 63 LEU CD2 . 27019 1 555 . 1 1 63 63 LEU N N 15 121.647 0.04 . . . . . . . 63 LEU N . 27019 1 556 . 1 1 64 64 THR H H 1 8.088 0.00 . . . . . . . 64 THR H . 27019 1 557 . 1 1 64 64 THR HA H 1 4.254 0.00 . . . . . . . 64 THR HA . 27019 1 558 . 1 1 64 64 THR HB H 1 4.108 0.00 . . . . . . . 64 THR HB . 27019 1 559 . 1 1 64 64 THR HG21 H 1 1.146 0.00 . . . . . . . 64 THR HG2 . 27019 1 560 . 1 1 64 64 THR HG22 H 1 1.146 0.00 . . . . . . . 64 THR HG2 . 27019 1 561 . 1 1 64 64 THR HG23 H 1 1.146 0.00 . . . . . . . 64 THR HG2 . 27019 1 562 . 1 1 64 64 THR C C 13 174.635 0.00 . . . . . . . 64 THR C . 27019 1 563 . 1 1 64 64 THR CA C 13 59.196 0.05 . . . . . . . 64 THR CA . 27019 1 564 . 1 1 64 64 THR CB C 13 67.261 0.09 . . . . . . . 64 THR CB . 27019 1 565 . 1 1 64 64 THR CG2 C 13 19.108 0.00 . . . . . . . 64 THR CG . 27019 1 566 . 1 1 64 64 THR N N 15 115.515 0.05 . . . . . . . 64 THR N . 27019 1 567 . 1 1 65 65 GLN H H 1 8.279 0.00 . . . . . . . 65 GLN H . 27019 1 568 . 1 1 65 65 GLN HA H 1 4.302 0.01 . . . . . . . 65 GLN HA . 27019 1 569 . 1 1 65 65 GLN HB2 H 1 1.890 0.00 . . . . . . . 65 GLN HB2 . 27019 1 570 . 1 1 65 65 GLN HB3 H 1 1.726 0.00 . . . . . . . 65 GLN HB3 . 27019 1 571 . 1 1 65 65 GLN HG2 H 1 2.121 0.00 . . . . . . . 65 GLN HG2 . 27019 1 572 . 1 1 65 65 GLN HG3 H 1 2.012 0.00 . . . . . . . 65 GLN HG3 . 27019 1 573 . 1 1 65 65 GLN C C 13 171.259 0.00 . . . . . . . 65 GLN C . 27019 1 574 . 1 1 65 65 GLN CA C 13 52.857 0.03 . . . . . . . 65 GLN CA . 27019 1 575 . 1 1 65 65 GLN CB C 13 27.855 0.05 . . . . . . . 65 GLN CB . 27019 1 576 . 1 1 65 65 GLN CG C 13 31.596 0.00 . . . . . . . 65 GLN CG . 27019 1 577 . 1 1 65 65 GLN N N 15 121.695 0.05 . . . . . . . 65 GLN N . 27019 1 578 . 1 1 66 66 GLU H H 1 8.295 0.00 . . . . . . . 66 GLU H . 27019 1 579 . 1 1 66 66 GLU HA H 1 4.524 0.00 . . . . . . . 66 GLU HA . 27019 1 580 . 1 1 66 66 GLU HB2 H 1 1.799 0.00 . . . . . . . 66 GLU HB2 . 27019 1 581 . 1 1 66 66 GLU HB3 H 1 1.371 0.00 . . . . . . . 66 GLU HB3 . 27019 1 582 . 1 1 66 66 GLU HG2 H 1 2.135 0.00 . . . . . . . 66 GLU HG2 . 27019 1 583 . 1 1 66 66 GLU HG3 H 1 1.958 0.00 . . . . . . . 66 GLU HG3 . 27019 1 584 . 1 1 66 66 GLU C C 13 172.235 0.00 . . . . . . . 66 GLU C . 27019 1 585 . 1 1 66 66 GLU CA C 13 52.367 0.05 . . . . . . . 66 GLU CA . 27019 1 586 . 1 1 66 66 GLU CB C 13 29.830 0.03 . . . . . . . 66 GLU CB . 27019 1 587 . 1 1 66 66 GLU CG C 13 33.537 0.00 . . . . . . . 66 GLU CG . 27019 1 588 . 1 1 66 66 GLU N N 15 121.075 0.05 . . . . . . . 66 GLU N . 27019 1 589 . 1 1 67 67 GLN H H 1 8.274 0.00 . . . . . . . 67 GLN H . 27019 1 590 . 1 1 67 67 GLN HA H 1 4.822 0.00 . . . . . . . 67 GLN HA . 27019 1 591 . 1 1 67 67 GLN HB2 H 1 2.026 0.00 . . . . . . . 67 GLN HB2 . 27019 1 592 . 1 1 67 67 GLN HB3 H 1 1.862 0.00 . . . . . . . 67 GLN HB3 . 27019 1 593 . 1 1 67 67 GLN HG2 H 1 2.381 0.00 . . . . . . . 67 GLN HG2 . 27019 1 594 . 1 1 67 67 GLN HG3 H 1 2.217 0.00 . . . . . . . 67 GLN HG3 . 27019 1 595 . 1 1 67 67 GLN C C 13 171.320 0.00 . . . . . . . 67 GLN C . 27019 1 596 . 1 1 67 67 GLN CA C 13 53.050 0.03 . . . . . . . 67 GLN CA . 27019 1 597 . 1 1 67 67 GLN CB C 13 28.103 0.04 . . . . . . . 67 GLN CB . 27019 1 598 . 1 1 67 67 GLN CG C 13 32.548 0.00 . . . . . . . 67 GLN CG . 27019 1 599 . 1 1 67 67 GLN N N 15 119.587 0.02 . . . . . . . 67 GLN N . 27019 1 600 . 1 1 68 68 TYR H H 1 9.135 0.00 . . . . . . . 68 TYR H . 27019 1 601 . 1 1 68 68 TYR HA H 1 5.251 0.01 . . . . . . . 68 TYR HA . 27019 1 602 . 1 1 68 68 TYR HB2 H 1 2.790 0.00 . . . . . . . 68 TYR HB2 . 27019 1 603 . 1 1 68 68 TYR HB3 H 1 2.626 0.00 . . . . . . . 68 TYR HB3 . 27019 1 604 . 1 1 68 68 TYR C C 13 172.574 0.00 . . . . . . . 68 TYR C . 27019 1 605 . 1 1 68 68 TYR CA C 13 54.517 0.00 . . . . . . . 68 TYR CA . 27019 1 606 . 1 1 68 68 TYR CB C 13 40.540 0.05 . . . . . . . 68 TYR CB . 27019 1 607 . 1 1 68 68 TYR N N 15 124.712 0.04 . . . . . . . 68 TYR N . 27019 1 608 . 1 1 69 69 LYS H H 1 9.110 0.00 . . . . . . . 69 LYS H . 27019 1 609 . 1 1 69 69 LYS HA H 1 5.141 0.01 . . . . . . . 69 LYS HA . 27019 1 610 . 1 1 69 69 LYS HB2 H 1 1.944 0.00 . . . . . . . 69 LYS HB2 . 27019 1 611 . 1 1 69 69 LYS HB3 H 1 1.780 0.00 . . . . . . . 69 LYS HB3 . 27019 1 612 . 1 1 69 69 LYS HG2 H 1 1.453 0.00 . . . . . . . 69 LYS HG2 . 27019 1 613 . 1 1 69 69 LYS HG3 H 1 1.289 0.00 . . . . . . . 69 LYS HG3 . 27019 1 614 . 1 1 69 69 LYS C C 13 172.403 0.00 . . . . . . . 69 LYS C . 27019 1 615 . 1 1 69 69 LYS CA C 13 52.886 0.07 . . . . . . . 69 LYS CA . 27019 1 616 . 1 1 69 69 LYS CB C 13 33.420 0.10 . . . . . . . 69 LYS CB . 27019 1 617 . 1 1 69 69 LYS CG C 13 22.910 0.00 . . . . . . . 69 LYS CG . 27019 1 618 . 1 1 69 69 LYS N N 15 121.695 0.05 . . . . . . . 69 LYS N . 27019 1 619 . 1 1 70 70 LEU H H 1 8.456 0.00 . . . . . . . 70 LEU H . 27019 1 620 . 1 1 70 70 LEU HA H 1 4.841 0.00 . . . . . . . 70 LEU HA . 27019 1 621 . 1 1 70 70 LEU HB2 H 1 0.894 0.00 . . . . . . . 70 LEU HB2 . 27019 1 622 . 1 1 70 70 LEU HB3 H 1 0.634 0.00 . . . . . . . 70 LEU HB3 . 27019 1 623 . 1 1 70 70 LEU HG H 1 0.798 0.00 . . . . . . . 70 LEU HG . 27019 1 624 . 1 1 70 70 LEU C C 13 170.476 0.00 . . . . . . . 70 LEU C . 27019 1 625 . 1 1 70 70 LEU CA C 13 49.814 0.15 . . . . . . . 70 LEU CA . 27019 1 626 . 1 1 70 70 LEU CB C 13 39.800 0.05 . . . . . . . 70 LEU CB . 27019 1 627 . 1 1 70 70 LEU CG C 13 23.582 0.00 . . . . . . . 70 LEU CG . 27019 1 628 . 1 1 70 70 LEU N N 15 125.489 0.05 . . . . . . . 70 LEU N . 27019 1 629 . 1 1 71 71 ALA H H 1 9.214 0.00 . . . . . . . 71 ALA H . 27019 1 630 . 1 1 71 71 ALA HA H 1 4.654 0.00 . . . . . . . 71 ALA HA . 27019 1 631 . 1 1 71 71 ALA HB1 H 1 1.221 0.00 . . . . . . . 71 ALA HB . 27019 1 632 . 1 1 71 71 ALA HB2 H 1 1.221 0.00 . . . . . . . 71 ALA HB . 27019 1 633 . 1 1 71 71 ALA HB3 H 1 1.221 0.00 . . . . . . . 71 ALA HB . 27019 1 634 . 1 1 71 71 ALA C C 13 171.520 0.00 . . . . . . . 71 ALA C . 27019 1 635 . 1 1 71 71 ALA CA C 13 48.094 0.04 . . . . . . . 71 ALA CA . 27019 1 636 . 1 1 71 71 ALA CB C 13 16.719 0.02 . . . . . . . 71 ALA CB . 27019 1 637 . 1 1 71 71 ALA N N 15 130.026 0.04 . . . . . . . 71 ALA N . 27019 1 638 . 1 1 72 72 LEU H H 1 8.479 0.00 . . . . . . . 72 LEU H . 27019 1 639 . 1 1 72 72 LEU HA H 1 4.298 0.00 . . . . . . . 72 LEU HA . 27019 1 640 . 1 1 72 72 LEU HB2 H 1 1.424 0.00 . . . . . . . 72 LEU HB2 . 27019 1 641 . 1 1 72 72 LEU HB3 H 1 1.235 0.00 . . . . . . . 72 LEU HB3 . 27019 1 642 . 1 1 72 72 LEU HG H 1 0.662 0.00 . . . . . . . 72 LEU HG . 27019 1 643 . 1 1 72 72 LEU C C 13 172.380 0.00 . . . . . . . 72 LEU C . 27019 1 644 . 1 1 72 72 LEU CA C 13 51.873 0.01 . . . . . . . 72 LEU CA . 27019 1 645 . 1 1 72 72 LEU CB C 13 39.684 0.01 . . . . . . . 72 LEU CB . 27019 1 646 . 1 1 72 72 LEU CG C 13 24.701 0.00 . . . . . . . 72 LEU CG . 27019 1 647 . 1 1 72 72 LEU CD1 C 13 23.113 0.00 . . . . . . . 72 LEU CD . 27019 1 648 . 1 1 72 72 LEU CD2 C 13 23.113 0.00 . . . . . . . 72 LEU CD . 27019 1 649 . 1 1 72 72 LEU N N 15 122.630 0.03 . . . . . . . 72 LEU N . 27019 1 650 . 1 1 73 73 ASN H H 1 8.781 0.00 . . . . . . . 73 ASN H . 27019 1 651 . 1 1 73 73 ASN HA H 1 5.176 0.01 . . . . . . . 73 ASN HA . 27019 1 652 . 1 1 73 73 ASN HB2 H 1 2.877 0.00 . . . . . . . 73 ASN HB2 . 27019 1 653 . 1 1 73 73 ASN HB3 H 1 2.560 0.00 . . . . . . . 73 ASN HB3 . 27019 1 654 . 1 1 73 73 ASN C C 13 172.332 0.00 . . . . . . . 73 ASN C . 27019 1 655 . 1 1 73 73 ASN CA C 13 48.505 0.04 . . . . . . . 73 ASN CA . 27019 1 656 . 1 1 73 73 ASN CB C 13 35.358 0.05 . . . . . . . 73 ASN CB . 27019 1 657 . 1 1 73 73 ASN N N 15 126.773 0.04 . . . . . . . 73 ASN N . 27019 1 658 . 1 1 74 74 GLY H H 1 7.881 0.00 . . . . . . . 74 GLY H . 27019 1 659 . 1 1 74 74 GLY HA2 H 1 4.328 0.00 . . . . . . . 74 GLY HA2 . 27019 1 660 . 1 1 74 74 GLY HA3 H 1 3.960 0.01 . . . . . . . 74 GLY HA3 . 27019 1 661 . 1 1 74 74 GLY C C 13 172.920 0.00 . . . . . . . 74 GLY C . 27019 1 662 . 1 1 74 74 GLY CA C 13 42.088 0.07 . . . . . . . 74 GLY CA . 27019 1 663 . 1 1 74 74 GLY N N 15 109.790 0.06 . . . . . . . 74 GLY N . 27019 1 664 . 1 1 75 75 LYS H H 1 9.333 0.01 . . . . . . . 75 LYS H . 27019 1 665 . 1 1 75 75 LYS HA H 1 3.990 0.00 . . . . . . . 75 LYS HA . 27019 1 666 . 1 1 75 75 LYS HB2 H 1 1.821 0.00 . . . . . . . 75 LYS HB2 . 27019 1 667 . 1 1 75 75 LYS HB3 H 1 1.685 0.00 . . . . . . . 75 LYS HB3 . 27019 1 668 . 1 1 75 75 LYS HG2 H 1 1.508 0.00 . . . . . . . 75 LYS HG2 . 27019 1 669 . 1 1 75 75 LYS HG3 H 1 1.344 0.00 . . . . . . . 75 LYS HG3 . 27019 1 670 . 1 1 75 75 LYS C C 13 170.849 0.00 . . . . . . . 75 LYS C . 27019 1 671 . 1 1 75 75 LYS CA C 13 56.328 0.04 . . . . . . . 75 LYS CA . 27019 1 672 . 1 1 75 75 LYS CB C 13 29.922 0.02 . . . . . . . 75 LYS CB . 27019 1 673 . 1 1 75 75 LYS CG C 13 22.893 0.00 . . . . . . . 75 LYS CG . 27019 1 674 . 1 1 75 75 LYS CD C 13 26.232 0.00 . . . . . . . 75 LYS CD . 27019 1 675 . 1 1 75 75 LYS N N 15 120.924 0.03 . . . . . . . 75 LYS N . 27019 1 676 . 1 1 76 76 THR H H 1 8.715 0.01 . . . . . . . 76 THR H . 27019 1 677 . 1 1 76 76 THR HA H 1 4.308 0.00 . . . . . . . 76 THR HA . 27019 1 678 . 1 1 76 76 THR HB H 1 4.170 0.00 . . . . . . . 76 THR HB . 27019 1 679 . 1 1 76 76 THR HG21 H 1 1.057 0.00 . . . . . . . 76 THR HG2 . 27019 1 680 . 1 1 76 76 THR HG22 H 1 1.057 0.00 . . . . . . . 76 THR HG2 . 27019 1 681 . 1 1 76 76 THR HG23 H 1 1.057 0.00 . . . . . . . 76 THR HG2 . 27019 1 682 . 1 1 76 76 THR C C 13 176.198 0.00 . . . . . . . 76 THR C . 27019 1 683 . 1 1 76 76 THR CA C 13 59.285 0.01 . . . . . . . 76 THR CA . 27019 1 684 . 1 1 76 76 THR CB C 13 67.103 0.05 . . . . . . . 76 THR CB . 27019 1 685 . 1 1 76 76 THR CG2 C 13 19.177 0.00 . . . . . . . 76 THR CG . 27019 1 686 . 1 1 76 76 THR N N 15 108.638 0.04 . . . . . . . 76 THR N . 27019 1 687 . 1 1 77 77 LEU H H 1 7.296 0.00 . . . . . . . 77 LEU H . 27019 1 688 . 1 1 77 77 LEU HA H 1 3.606 0.00 . . . . . . . 77 LEU HA . 27019 1 689 . 1 1 77 77 LEU HB2 H 1 1.876 0.00 . . . . . . . 77 LEU HB2 . 27019 1 690 . 1 1 77 77 LEU HB3 H 1 1.548 0.00 . . . . . . . 77 LEU HB3 . 27019 1 691 . 1 1 77 77 LEU HG H 1 1.332 0.00 . . . . . . . 77 LEU HG . 27019 1 692 . 1 1 77 77 LEU C C 13 171.110 0.00 . . . . . . . 77 LEU C . 27019 1 693 . 1 1 77 77 LEU CA C 13 52.563 0.03 . . . . . . . 77 LEU CA . 27019 1 694 . 1 1 77 77 LEU CB C 13 40.742 0.08 . . . . . . . 77 LEU CB . 27019 1 695 . 1 1 77 77 LEU CG C 13 21.824 0.00 . . . . . . . 77 LEU CG . 27019 1 696 . 1 1 77 77 LEU CD1 C 13 24.718 0.00 . . . . . . . 77 LEU CD1 . 27019 1 697 . 1 1 77 77 LEU N N 15 125.191 0.04 . . . . . . . 77 LEU N . 27019 1 698 . 1 1 78 78 LYS H H 1 8.062 0.00 . . . . . . . 78 LYS H . 27019 1 699 . 1 1 78 78 LYS HA H 1 5.047 0.00 . . . . . . . 78 LYS HA . 27019 1 700 . 1 1 78 78 LYS HB2 H 1 1.780 0.00 . . . . . . . 78 LYS HB2 . 27019 1 701 . 1 1 78 78 LYS HB3 H 1 1.603 0.00 . . . . . . . 78 LYS HB3 . 27019 1 702 . 1 1 78 78 LYS HG2 H 1 1.467 0.00 . . . . . . . 78 LYS HG2 . 27019 1 703 . 1 1 78 78 LYS HG3 H 1 1.330 0.00 . . . . . . . 78 LYS HG3 . 27019 1 704 . 1 1 78 78 LYS C C 13 170.738 0.00 . . . . . . . 78 LYS C . 27019 1 705 . 1 1 78 78 LYS CA C 13 51.314 0.05 . . . . . . . 78 LYS CA . 27019 1 706 . 1 1 78 78 LYS CB C 13 32.394 0.06 . . . . . . . 78 LYS CB . 27019 1 707 . 1 1 78 78 LYS CG C 13 22.592 0.00 . . . . . . . 78 LYS CG . 27019 1 708 . 1 1 78 78 LYS CD C 13 26.690 0.00 . . . . . . . 78 LYS CD . 27019 1 709 . 1 1 78 78 LYS N N 15 123.724 0.04 . . . . . . . 78 LYS N . 27019 1 710 . 1 1 79 79 GLY H H 1 8.368 0.00 . . . . . . . 79 GLY H . 27019 1 711 . 1 1 79 79 GLY HA2 H 1 4.131 0.00 . . . . . . . 79 GLY HA2 . 27019 1 712 . 1 1 79 79 GLY HA3 H 1 3.832 0.00 . . . . . . . 79 GLY HA3 . 27019 1 713 . 1 1 79 79 GLY C C 13 173.611 0.00 . . . . . . . 79 GLY C . 27019 1 714 . 1 1 79 79 GLY CA C 13 42.449 0.05 . . . . . . . 79 GLY CA . 27019 1 715 . 1 1 79 79 GLY N N 15 109.452 0.05 . . . . . . . 79 GLY N . 27019 1 716 . 1 1 80 80 GLU H H 1 8.389 0.00 . . . . . . . 80 GLU H . 27019 1 717 . 1 1 80 80 GLU HA H 1 5.486 0.03 . . . . . . . 80 GLU HA . 27019 1 718 . 1 1 80 80 GLU HB2 H 1 2.038 0.00 . . . . . . . 80 GLU HB2 . 27019 1 719 . 1 1 80 80 GLU HB3 H 1 1.902 0.00 . . . . . . . 80 GLU HB3 . 27019 1 720 . 1 1 80 80 GLU C C 13 168.930 0.00 . . . . . . . 80 GLU C . 27019 1 721 . 1 1 80 80 GLU CA C 13 52.256 0.02 . . . . . . . 80 GLU CA . 27019 1 722 . 1 1 80 80 GLU CB C 13 31.070 0.02 . . . . . . . 80 GLU CB . 27019 1 723 . 1 1 80 80 GLU CG C 13 33.597 0.00 . . . . . . . 80 GLU CG . 27019 1 724 . 1 1 80 80 GLU N N 15 119.545 0.03 . . . . . . . 80 GLU N . 27019 1 725 . 1 1 81 81 THR H H 1 8.526 0.00 . . . . . . . 81 THR H . 27019 1 726 . 1 1 81 81 THR HA H 1 4.660 0.00 . . . . . . . 81 THR HA . 27019 1 727 . 1 1 81 81 THR HB H 1 3.822 0.00 . . . . . . . 81 THR HB . 27019 1 728 . 1 1 81 81 THR HG1 H 1 4.673 0.00 . . . . . . . 81 THR HG1 . 27019 1 729 . 1 1 81 81 THR C C 13 172.643 0.00 . . . . . . . 81 THR C . 27019 1 730 . 1 1 81 81 THR CA C 13 57.778 0.02 . . . . . . . 81 THR CA . 27019 1 731 . 1 1 81 81 THR CB C 13 67.057 0.03 . . . . . . . 81 THR CB . 27019 1 732 . 1 1 81 81 THR CG2 C 13 16.733 0.00 . . . . . . . 81 THR CG . 27019 1 733 . 1 1 81 81 THR N N 15 115.755 0.02 . . . . . . . 81 THR N . 27019 1 734 . 1 1 82 82 THR H H 1 8.043 0.00 . . . . . . . 82 THR H . 27019 1 735 . 1 1 82 82 THR HA H 1 5.713 0.01 . . . . . . . 82 THR HA . 27019 1 736 . 1 1 82 82 THR HB H 1 4.231 0.00 . . . . . . . 82 THR HB . 27019 1 737 . 1 1 82 82 THR C C 13 169.480 0.00 . . . . . . . 82 THR C . 27019 1 738 . 1 1 82 82 THR CA C 13 57.495 0.06 . . . . . . . 82 THR CA . 27019 1 739 . 1 1 82 82 THR CB C 13 70.481 0.10 . . . . . . . 82 THR CB . 27019 1 740 . 1 1 82 82 THR CG2 C 13 18.812 0.00 . . . . . . . 82 THR CG . 27019 1 741 . 1 1 82 82 THR N N 15 112.077 0.04 . . . . . . . 82 THR N . 27019 1 742 . 1 1 83 83 THR H H 1 8.916 0.00 . . . . . . . 83 THR H . 27019 1 743 . 1 1 83 83 THR HA H 1 4.605 0.00 . . . . . . . 83 THR HA . 27019 1 744 . 1 1 83 83 THR HB H 1 3.815 0.00 . . . . . . . 83 THR HB . 27019 1 745 . 1 1 83 83 THR HG21 H 1 0.402 0.00 . . . . . . . 83 THR HG2 . 27019 1 746 . 1 1 83 83 THR HG22 H 1 0.402 0.00 . . . . . . . 83 THR HG2 . 27019 1 747 . 1 1 83 83 THR HG23 H 1 0.402 0.00 . . . . . . . 83 THR HG2 . 27019 1 748 . 1 1 83 83 THR C C 13 171.333 0.00 . . . . . . . 83 THR C . 27019 1 749 . 1 1 83 83 THR CA C 13 59.482 0.02 . . . . . . . 83 THR CA . 27019 1 750 . 1 1 83 83 THR CB C 13 67.134 0.01 . . . . . . . 83 THR CB . 27019 1 751 . 1 1 83 83 THR CG2 C 13 16.240 0.00 . . . . . . . 83 THR CG . 27019 1 752 . 1 1 83 83 THR N N 15 114.874 0.05 . . . . . . . 83 THR N . 27019 1 753 . 1 1 84 84 GLU H H 1 7.906 0.00 . . . . . . . 84 GLU H . 27019 1 754 . 1 1 84 84 GLU HA H 1 5.381 0.00 . . . . . . . 84 GLU HA . 27019 1 755 . 1 1 84 84 GLU HB2 H 1 1.849 0.00 . . . . . . . 84 GLU HB2 . 27019 1 756 . 1 1 84 84 GLU HB3 H 1 1.658 0.00 . . . . . . . 84 GLU HB3 . 27019 1 757 . 1 1 84 84 GLU HG2 H 1 2.176 0.00 . . . . . . . 84 GLU HG2 . 27019 1 758 . 1 1 84 84 GLU HG3 H 1 1.999 0.00 . . . . . . . 84 GLU HG3 . 27019 1 759 . 1 1 84 84 GLU C C 13 176.501 0.00 . . . . . . . 84 GLU C . 27019 1 760 . 1 1 84 84 GLU CA C 13 52.424 0.03 . . . . . . . 84 GLU CA . 27019 1 761 . 1 1 84 84 GLU CB C 13 28.352 0.01 . . . . . . . 84 GLU CB . 27019 1 762 . 1 1 84 84 GLU CG C 13 33.888 0.00 . . . . . . . 84 GLU CG . 27019 1 763 . 1 1 84 84 GLU N N 15 123.958 0.04 . . . . . . . 84 GLU N . 27019 1 764 . 1 1 85 85 ALA H H 1 9.190 0.00 . . . . . . . 85 ALA H . 27019 1 765 . 1 1 85 85 ALA HA H 1 4.856 0.00 . . . . . . . 85 ALA HA . 27019 1 766 . 1 1 85 85 ALA HB1 H 1 1.250 0.00 . . . . . . . 85 ALA HB . 27019 1 767 . 1 1 85 85 ALA HB2 H 1 1.250 0.00 . . . . . . . 85 ALA HB . 27019 1 768 . 1 1 85 85 ALA HB3 H 1 1.250 0.00 . . . . . . . 85 ALA HB . 27019 1 769 . 1 1 85 85 ALA C C 13 173.294 0.00 . . . . . . . 85 ALA C . 27019 1 770 . 1 1 85 85 ALA CA C 13 48.417 0.02 . . . . . . . 85 ALA CA . 27019 1 771 . 1 1 85 85 ALA CB C 13 21.145 0.03 . . . . . . . 85 ALA CB . 27019 1 772 . 1 1 85 85 ALA N N 15 123.982 0.03 . . . . . . . 85 ALA N . 27019 1 773 . 1 1 86 86 VAL H H 1 8.414 0.00 . . . . . . . 86 VAL H . 27019 1 774 . 1 1 86 86 VAL HA H 1 4.266 0.00 . . . . . . . 86 VAL HA . 27019 1 775 . 1 1 86 86 VAL HB H 1 2.158 0.00 . . . . . . . 86 VAL HB . 27019 1 776 . 1 1 86 86 VAL HG11 H 1 1.022 0.00 . . . . . . . 86 VAL HG1 . 27019 1 777 . 1 1 86 86 VAL HG12 H 1 1.022 0.00 . . . . . . . 86 VAL HG1 . 27019 1 778 . 1 1 86 86 VAL HG13 H 1 1.022 0.00 . . . . . . . 86 VAL HG1 . 27019 1 779 . 1 1 86 86 VAL HG21 H 1 0.880 0.00 . . . . . . . 86 VAL HG2 . 27019 1 780 . 1 1 86 86 VAL HG22 H 1 0.880 0.00 . . . . . . . 86 VAL HG2 . 27019 1 781 . 1 1 86 86 VAL HG23 H 1 0.880 0.00 . . . . . . . 86 VAL HG2 . 27019 1 782 . 1 1 86 86 VAL C C 13 174.699 0.00 . . . . . . . 86 VAL C . 27019 1 783 . 1 1 86 86 VAL CA C 13 60.567 0.05 . . . . . . . 86 VAL CA . 27019 1 784 . 1 1 86 86 VAL CB C 13 29.388 0.01 . . . . . . . 86 VAL CB . 27019 1 785 . 1 1 86 86 VAL CG1 C 13 17.044 0.00 . . . . . . . 86 VAL CG1 . 27019 1 786 . 1 1 86 86 VAL CG2 C 13 18.700 0.00 . . . . . . . 86 VAL CG2 . 27019 1 787 . 1 1 86 86 VAL N N 15 114.737 0.04 . . . . . . . 86 VAL N . 27019 1 788 . 1 1 87 87 ASP H H 1 7.237 0.00 . . . . . . . 87 ASP H . 27019 1 789 . 1 1 87 87 ASP HA H 1 4.628 0.00 . . . . . . . 87 ASP HA . 27019 1 790 . 1 1 87 87 ASP HB2 H 1 3.121 0.00 . . . . . . . 87 ASP HB2 . 27019 1 791 . 1 1 87 87 ASP HB3 H 1 2.940 0.00 . . . . . . . 87 ASP HB3 . 27019 1 792 . 1 1 87 87 ASP C C 13 172.000 0.00 . . . . . . . 87 ASP C . 27019 1 793 . 1 1 87 87 ASP CA C 13 49.808 0.15 . . . . . . . 87 ASP CA . 27019 1 794 . 1 1 87 87 ASP CB C 13 39.225 0.07 . . . . . . . 87 ASP CB . 27019 1 795 . 1 1 87 87 ASP N N 15 114.681 0.05 . . . . . . . 87 ASP N . 27019 1 796 . 1 1 88 88 ALA H H 1 8.317 0.00 . . . . . . . 88 ALA H . 27019 1 797 . 1 1 88 88 ALA HA H 1 3.323 0.00 . . . . . . . 88 ALA HA . 27019 1 798 . 1 1 88 88 ALA HB1 H 1 1.112 0.00 . . . . . . . 88 ALA HB . 27019 1 799 . 1 1 88 88 ALA HB2 H 1 1.112 0.00 . . . . . . . 88 ALA HB . 27019 1 800 . 1 1 88 88 ALA HB3 H 1 1.112 0.00 . . . . . . . 88 ALA HB . 27019 1 801 . 1 1 88 88 ALA C C 13 172.008 0.00 . . . . . . . 88 ALA C . 27019 1 802 . 1 1 88 88 ALA CA C 13 51.938 0.00 . . . . . . . 88 ALA CA . 27019 1 803 . 1 1 88 88 ALA CB C 13 14.929 0.14 . . . . . . . 88 ALA CB . 27019 1 804 . 1 1 88 88 ALA N N 15 121.543 0.06 . . . . . . . 88 ALA N . 27019 1 805 . 1 1 89 89 ALA H H 1 7.962 0.00 . . . . . . . 89 ALA H . 27019 1 806 . 1 1 89 89 ALA HA H 1 3.145 0.00 . . . . . . . 89 ALA HA . 27019 1 807 . 1 1 89 89 ALA HB1 H 1 1.514 0.00 . . . . . . . 89 ALA HB . 27019 1 808 . 1 1 89 89 ALA HB2 H 1 1.514 0.00 . . . . . . . 89 ALA HB . 27019 1 809 . 1 1 89 89 ALA HB3 H 1 1.514 0.00 . . . . . . . 89 ALA HB . 27019 1 810 . 1 1 89 89 ALA C C 13 176.501 0.00 . . . . . . . 89 ALA C . 27019 1 811 . 1 1 89 89 ALA CA C 13 52.142 0.00 . . . . . . . 89 ALA CA . 27019 1 812 . 1 1 89 89 ALA CB C 13 15.131 0.04 . . . . . . . 89 ALA CB . 27019 1 813 . 1 1 89 89 ALA N N 15 120.277 0.02 . . . . . . . 89 ALA N . 27019 1 814 . 1 1 90 90 THR H H 1 8.258 0.01 . . . . . . . 90 THR H . 27019 1 815 . 1 1 90 90 THR HB H 1 3.947 0.00 . . . . . . . 90 THR HB . 27019 1 816 . 1 1 90 90 THR HG21 H 1 1.138 0.00 . . . . . . . 90 THR HG2 . 27019 1 817 . 1 1 90 90 THR HG22 H 1 1.138 0.00 . . . . . . . 90 THR HG2 . 27019 1 818 . 1 1 90 90 THR HG23 H 1 1.138 0.00 . . . . . . . 90 THR HG2 . 27019 1 819 . 1 1 90 90 THR C C 13 173.023 0.00 . . . . . . . 90 THR C . 27019 1 820 . 1 1 90 90 THR CA C 13 64.097 0.00 . . . . . . . 90 THR CA . 27019 1 821 . 1 1 90 90 THR CB C 13 65.154 0.11 . . . . . . . 90 THR CB . 27019 1 822 . 1 1 90 90 THR CG2 C 13 18.357 0.00 . . . . . . . 90 THR CG . 27019 1 823 . 1 1 90 90 THR N N 15 116.498 0.09 . . . . . . . 90 THR N . 27019 1 824 . 1 1 91 91 ALA H H 1 7.009 0.00 . . . . . . . 91 ALA H . 27019 1 825 . 1 1 91 91 ALA HA H 1 4.238 0.00 . . . . . . . 91 ALA HA . 27019 1 826 . 1 1 91 91 ALA HB1 H 1 0.458 0.00 . . . . . . . 91 ALA HB . 27019 1 827 . 1 1 91 91 ALA HB2 H 1 0.458 0.00 . . . . . . . 91 ALA HB . 27019 1 828 . 1 1 91 91 ALA HB3 H 1 0.458 0.00 . . . . . . . 91 ALA HB . 27019 1 829 . 1 1 91 91 ALA C C 13 173.390 0.00 . . . . . . . 91 ALA C . 27019 1 830 . 1 1 91 91 ALA CA C 13 52.337 0.01 . . . . . . . 91 ALA CA . 27019 1 831 . 1 1 91 91 ALA CB C 13 14.743 0.05 . . . . . . . 91 ALA CB . 27019 1 832 . 1 1 91 91 ALA N N 15 123.729 0.03 . . . . . . . 91 ALA N . 27019 1 833 . 1 1 92 92 GLU H H 1 8.288 0.00 . . . . . . . 92 GLU H . 27019 1 834 . 1 1 92 92 GLU HA H 1 5.515 0.00 . . . . . . . 92 GLU HA . 27019 1 835 . 1 1 92 92 GLU HB2 H 1 1.528 0.00 . . . . . . . 92 GLU HB2 . 27019 1 836 . 1 1 92 92 GLU HG2 H 1 2.545 0.00 . . . . . . . 92 GLU HG2 . 27019 1 837 . 1 1 92 92 GLU C C 13 174.468 0.00 . . . . . . . 92 GLU C . 27019 1 838 . 1 1 92 92 GLU CA C 13 57.141 0.05 . . . . . . . 92 GLU CA . 27019 1 839 . 1 1 92 92 GLU CB C 13 26.547 0.17 . . . . . . . 92 GLU CB . 27019 1 840 . 1 1 92 92 GLU CG C 13 33.073 0.00 . . . . . . . 92 GLU CG . 27019 1 841 . 1 1 92 92 GLU N N 15 116.736 0.03 . . . . . . . 92 GLU N . 27019 1 842 . 1 1 93 93 LYS H H 1 6.911 0.00 . . . . . . . 93 LYS H . 27019 1 843 . 1 1 93 93 LYS HA H 1 3.655 0.00 . . . . . . . 93 LYS HA . 27019 1 844 . 1 1 93 93 LYS HB2 H 1 1.835 0.00 . . . . . . . 93 LYS HB2 . 27019 1 845 . 1 1 93 93 LYS HB3 H 1 1.658 0.00 . . . . . . . 93 LYS HB3 . 27019 1 846 . 1 1 93 93 LYS HG2 H 1 1.453 0.00 . . . . . . . 93 LYS HG2 . 27019 1 847 . 1 1 93 93 LYS HG3 H 1 1.289 0.00 . . . . . . . 93 LYS HG3 . 27019 1 848 . 1 1 93 93 LYS C C 13 174.635 0.00 . . . . . . . 93 LYS C . 27019 1 849 . 1 1 93 93 LYS CA C 13 57.186 0.03 . . . . . . . 93 LYS CA . 27019 1 850 . 1 1 93 93 LYS CB C 13 29.567 0.08 . . . . . . . 93 LYS CB . 27019 1 851 . 1 1 93 93 LYS CG C 13 22.481 0.00 . . . . . . . 93 LYS CG . 27019 1 852 . 1 1 93 93 LYS CD C 13 26.774 0.00 . . . . . . . 93 LYS CD . 27019 1 853 . 1 1 93 93 LYS N N 15 116.589 0.03 . . . . . . . 93 LYS N . 27019 1 854 . 1 1 94 94 VAL H H 1 7.224 0.00 . . . . . . . 94 VAL H . 27019 1 855 . 1 1 94 94 VAL HA H 1 3.542 0.00 . . . . . . . 94 VAL HA . 27019 1 856 . 1 1 94 94 VAL HB H 1 1.699 0.00 . . . . . . . 94 VAL HB . 27019 1 857 . 1 1 94 94 VAL HG11 H 1 0.825 0.00 . . . . . . . 94 VAL HG1 . 27019 1 858 . 1 1 94 94 VAL HG12 H 1 0.825 0.00 . . . . . . . 94 VAL HG1 . 27019 1 859 . 1 1 94 94 VAL HG13 H 1 0.825 0.00 . . . . . . . 94 VAL HG1 . 27019 1 860 . 1 1 94 94 VAL HG21 H 1 0.675 0.00 . . . . . . . 94 VAL HG2 . 27019 1 861 . 1 1 94 94 VAL HG22 H 1 0.675 0.00 . . . . . . . 94 VAL HG2 . 27019 1 862 . 1 1 94 94 VAL HG23 H 1 0.675 0.00 . . . . . . . 94 VAL HG2 . 27019 1 863 . 1 1 94 94 VAL C C 13 169.286 0.00 . . . . . . . 94 VAL C . 27019 1 864 . 1 1 94 94 VAL CA C 13 63.494 0.07 . . . . . . . 94 VAL CA . 27019 1 865 . 1 1 94 94 VAL CB C 13 29.155 0.04 . . . . . . . 94 VAL CB . 27019 1 866 . 1 1 94 94 VAL CG1 C 13 18.070 0.00 . . . . . . . 94 VAL CG1 . 27019 1 867 . 1 1 94 94 VAL CG2 C 13 19.088 0.00 . . . . . . . 94 VAL CG2 . 27019 1 868 . 1 1 94 94 VAL N N 15 120.569 0.04 . . . . . . . 94 VAL N . 27019 1 869 . 1 1 95 95 PHE H H 1 8.369 0.00 . . . . . . . 95 PHE H . 27019 1 870 . 1 1 95 95 PHE HA H 1 4.699 0.00 . . . . . . . 95 PHE HA . 27019 1 871 . 1 1 95 95 PHE HB2 H 1 3.277 0.00 . . . . . . . 95 PHE HB2 . 27019 1 872 . 1 1 95 95 PHE HB3 H 1 2.805 0.00 . . . . . . . 95 PHE HB3 . 27019 1 873 . 1 1 95 95 PHE C C 13 169.058 0.00 . . . . . . . 95 PHE C . 27019 1 874 . 1 1 95 95 PHE CA C 13 54.072 0.02 . . . . . . . 95 PHE CA . 27019 1 875 . 1 1 95 95 PHE CB C 13 34.776 0.08 . . . . . . . 95 PHE CB . 27019 1 876 . 1 1 95 95 PHE N N 15 120.617 0.05 . . . . . . . 95 PHE N . 27019 1 877 . 1 1 96 96 LYS H H 1 9.082 0.00 . . . . . . . 96 LYS H . 27019 1 878 . 1 1 96 96 LYS HA H 1 4.081 0.00 . . . . . . . 96 LYS HA . 27019 1 879 . 1 1 96 96 LYS HB2 H 1 1.617 0.00 . . . . . . . 96 LYS HB2 . 27019 1 880 . 1 1 96 96 LYS HB3 H 1 1.371 0.00 . . . . . . . 96 LYS HB3 . 27019 1 881 . 1 1 96 96 LYS HG2 H 1 1.098 0.00 . . . . . . . 96 LYS HG2 . 27019 1 882 . 1 1 96 96 LYS HG3 H 1 0.424 0.00 . . . . . . . 96 LYS HG3 . 27019 1 883 . 1 1 96 96 LYS C C 13 175.657 0.00 . . . . . . . 96 LYS C . 27019 1 884 . 1 1 96 96 LYS CA C 13 57.233 0.03 . . . . . . . 96 LYS CA . 27019 1 885 . 1 1 96 96 LYS CB C 13 28.974 0.06 . . . . . . . 96 LYS CB . 27019 1 886 . 1 1 96 96 LYS CG C 13 23.077 0.00 . . . . . . . 96 LYS CG . 27019 1 887 . 1 1 96 96 LYS CD C 13 26.212 0.00 . . . . . . . 96 LYS CD . 27019 1 888 . 1 1 96 96 LYS N N 15 122.905 0.04 . . . . . . . 96 LYS N . 27019 1 889 . 1 1 97 97 GLN H H 1 7.377 0.00 . . . . . . . 97 GLN H . 27019 1 890 . 1 1 97 97 GLN HA H 1 3.970 0.00 . . . . . . . 97 GLN HA . 27019 1 891 . 1 1 97 97 GLN HB2 H 1 2.360 0.00 . . . . . . . 97 GLN HB2 . 27019 1 892 . 1 1 97 97 GLN HB3 H 1 2.190 0.00 . . . . . . . 97 GLN HB3 . 27019 1 893 . 1 1 97 97 GLN HG2 H 1 2.462 0.00 . . . . . . . 97 GLN HG2 . 27019 1 894 . 1 1 97 97 GLN C C 13 168.810 0.00 . . . . . . . 97 GLN C . 27019 1 895 . 1 1 97 97 GLN CA C 13 56.056 0.03 . . . . . . . 97 GLN CA . 27019 1 896 . 1 1 97 97 GLN CB C 13 25.499 0.02 . . . . . . . 97 GLN CB . 27019 1 897 . 1 1 97 97 GLN CG C 13 30.857 0.00 . . . . . . . 97 GLN CG . 27019 1 898 . 1 1 97 97 GLN N N 15 119.687 0.04 . . . . . . . 97 GLN N . 27019 1 899 . 1 1 98 98 TYR H H 1 8.131 0.00 . . . . . . . 98 TYR H . 27019 1 900 . 1 1 98 98 TYR HA H 1 4.195 0.00 . . . . . . . 98 TYR HA . 27019 1 901 . 1 1 98 98 TYR HB2 H 1 3.254 0.00 . . . . . . . 98 TYR HB2 . 27019 1 902 . 1 1 98 98 TYR HB3 H 1 3.131 0.00 . . . . . . . 98 TYR HB3 . 27019 1 903 . 1 1 98 98 TYR C C 13 174.408 0.00 . . . . . . . 98 TYR C . 27019 1 904 . 1 1 98 98 TYR CA C 13 59.189 0.02 . . . . . . . 98 TYR CA . 27019 1 905 . 1 1 98 98 TYR CB C 13 35.893 0.05 . . . . . . . 98 TYR CB . 27019 1 906 . 1 1 98 98 TYR N N 15 120.920 0.03 . . . . . . . 98 TYR N . 27019 1 907 . 1 1 99 99 ALA H H 1 9.121 0.00 . . . . . . . 99 ALA H . 27019 1 908 . 1 1 99 99 ALA HA H 1 3.722 0.00 . . . . . . . 99 ALA HA . 27019 1 909 . 1 1 99 99 ALA HB1 H 1 1.780 0.00 . . . . . . . 99 ALA HB . 27019 1 910 . 1 1 99 99 ALA HB2 H 1 1.780 0.00 . . . . . . . 99 ALA HB . 27019 1 911 . 1 1 99 99 ALA HB3 H 1 1.780 0.00 . . . . . . . 99 ALA HB . 27019 1 912 . 1 1 99 99 ALA C C 13 176.267 0.00 . . . . . . . 99 ALA C . 27019 1 913 . 1 1 99 99 ALA CA C 13 53.593 0.00 . . . . . . . 99 ALA CA . 27019 1 914 . 1 1 99 99 ALA CB C 13 15.184 0.07 . . . . . . . 99 ALA CB . 27019 1 915 . 1 1 99 99 ALA N N 15 122.698 0.04 . . . . . . . 99 ALA N . 27019 1 916 . 1 1 100 100 ASN H H 1 8.205 0.00 . . . . . . . 100 ASN H . 27019 1 917 . 1 1 100 100 ASN HA H 1 4.373 0.00 . . . . . . . 100 ASN HA . 27019 1 918 . 1 1 100 100 ASN HB2 H 1 2.913 0.00 . . . . . . . 100 ASN HB2 . 27019 1 919 . 1 1 100 100 ASN HB3 H 1 2.804 0.00 . . . . . . . 100 ASN HB3 . 27019 1 920 . 1 1 100 100 ASN C C 13 176.501 0.00 . . . . . . . 100 ASN C . 27019 1 921 . 1 1 100 100 ASN CA C 13 54.200 0.12 . . . . . . . 100 ASN CA . 27019 1 922 . 1 1 100 100 ASN CB C 13 36.104 0.07 . . . . . . . 100 ASN CB . 27019 1 923 . 1 1 100 100 ASN N N 15 117.651 0.05 . . . . . . . 100 ASN N . 27019 1 924 . 1 1 101 101 ASP H H 1 8.829 0.00 . . . . . . . 101 ASP H . 27019 1 925 . 1 1 101 101 ASP HA H 1 4.291 0.01 . . . . . . . 101 ASP HA . 27019 1 926 . 1 1 101 101 ASP HB2 H 1 2.653 0.00 . . . . . . . 101 ASP HB2 . 27019 1 927 . 1 1 101 101 ASP HB3 H 1 2.490 0.00 . . . . . . . 101 ASP HB3 . 27019 1 928 . 1 1 101 101 ASP C C 13 176.501 0.00 . . . . . . . 101 ASP C . 27019 1 929 . 1 1 101 101 ASP CA C 13 54.370 0.05 . . . . . . . 101 ASP CA . 27019 1 930 . 1 1 101 101 ASP CB C 13 37.349 0.02 . . . . . . . 101 ASP CB . 27019 1 931 . 1 1 101 101 ASP N N 15 121.407 0.04 . . . . . . . 101 ASP N . 27019 1 932 . 1 1 102 102 ASN H H 1 7.321 0.00 . . . . . . . 102 ASN H . 27019 1 933 . 1 1 102 102 ASN HA H 1 4.529 0.00 . . . . . . . 102 ASN HA . 27019 1 934 . 1 1 102 102 ASN HB2 H 1 2.600 0.00 . . . . . . . 102 ASN HB2 . 27019 1 935 . 1 1 102 102 ASN HB3 H 1 2.014 0.00 . . . . . . . 102 ASN HB3 . 27019 1 936 . 1 1 102 102 ASN C C 13 174.412 0.00 . . . . . . . 102 ASN C . 27019 1 937 . 1 1 102 102 ASN CA C 13 51.195 0.03 . . . . . . . 102 ASN CA . 27019 1 938 . 1 1 102 102 ASN CB C 13 37.386 0.03 . . . . . . . 102 ASN CB . 27019 1 939 . 1 1 102 102 ASN N N 15 115.322 0.03 . . . . . . . 102 ASN N . 27019 1 940 . 1 1 103 103 GLY H H 1 7.718 0.00 . . . . . . . 103 GLY H . 27019 1 941 . 1 1 103 103 GLY HA2 H 1 3.839 0.00 . . . . . . . 103 GLY HA . 27019 1 942 . 1 1 103 103 GLY HA3 H 1 3.839 0.00 . . . . . . . 103 GLY HA . 27019 1 943 . 1 1 103 103 GLY C C 13 171.306 0.00 . . . . . . . 103 GLY C . 27019 1 944 . 1 1 103 103 GLY CA C 13 44.276 0.08 . . . . . . . 103 GLY CA . 27019 1 945 . 1 1 103 103 GLY N N 15 108.208 0.03 . . . . . . . 103 GLY N . 27019 1 946 . 1 1 104 104 VAL H H 1 8.037 0.00 . . . . . . . 104 VAL H . 27019 1 947 . 1 1 104 104 VAL HA H 1 4.075 0.00 . . . . . . . 104 VAL HA . 27019 1 948 . 1 1 104 104 VAL HB H 1 1.671 0.00 . . . . . . . 104 VAL HB . 27019 1 949 . 1 1 104 104 VAL HG11 H 1 0.705 0.00 . . . . . . . 104 VAL HG1 . 27019 1 950 . 1 1 104 104 VAL HG12 H 1 0.705 0.00 . . . . . . . 104 VAL HG1 . 27019 1 951 . 1 1 104 104 VAL HG13 H 1 0.705 0.00 . . . . . . . 104 VAL HG1 . 27019 1 952 . 1 1 104 104 VAL HG21 H 1 0.566 0.00 . . . . . . . 104 VAL HG2 . 27019 1 953 . 1 1 104 104 VAL HG22 H 1 0.566 0.00 . . . . . . . 104 VAL HG2 . 27019 1 954 . 1 1 104 104 VAL HG23 H 1 0.566 0.00 . . . . . . . 104 VAL HG2 . 27019 1 955 . 1 1 104 104 VAL C C 13 171.484 0.00 . . . . . . . 104 VAL C . 27019 1 956 . 1 1 104 104 VAL CA C 13 59.295 0.03 . . . . . . . 104 VAL CA . 27019 1 957 . 1 1 104 104 VAL CB C 13 30.478 0.03 . . . . . . . 104 VAL CB . 27019 1 958 . 1 1 104 104 VAL CG1 C 13 18.886 0.00 . . . . . . . 104 VAL CG1 . 27019 1 959 . 1 1 104 104 VAL CG2 C 13 18.886 0.00 . . . . . . . 104 VAL CG2 . 27019 1 960 . 1 1 104 104 VAL N N 15 121.031 0.05 . . . . . . . 104 VAL N . 27019 1 961 . 1 1 105 105 ASP H H 1 8.543 0.00 . . . . . . . 105 ASP H . 27019 1 962 . 1 1 105 105 ASP HA H 1 4.828 0.01 . . . . . . . 105 ASP HA . 27019 1 963 . 1 1 105 105 ASP HB2 H 1 2.681 0.00 . . . . . . . 105 ASP HB2 . 27019 1 964 . 1 1 105 105 ASP HB3 H 1 2.517 0.00 . . . . . . . 105 ASP HB3 . 27019 1 965 . 1 1 105 105 ASP C C 13 171.278 0.00 . . . . . . . 105 ASP C . 27019 1 966 . 1 1 105 105 ASP CA C 13 49.877 0.07 . . . . . . . 105 ASP CA . 27019 1 967 . 1 1 105 105 ASP CB C 13 40.209 0.04 . . . . . . . 105 ASP CB . 27019 1 968 . 1 1 105 105 ASP N N 15 128.030 0.04 . . . . . . . 105 ASP N . 27019 1 969 . 1 1 106 106 GLY H H 1 7.739 0.00 . . . . . . . 106 GLY H . 27019 1 970 . 1 1 106 106 GLY HA2 H 1 4.204 0.01 . . . . . . . 106 GLY HA2 . 27019 1 971 . 1 1 106 106 GLY HA3 H 1 3.551 0.01 . . . . . . . 106 GLY HA3 . 27019 1 972 . 1 1 106 106 GLY C C 13 171.717 0.00 . . . . . . . 106 GLY C . 27019 1 973 . 1 1 106 106 GLY CA C 13 42.722 0.06 . . . . . . . 106 GLY CA . 27019 1 974 . 1 1 106 106 GLY N N 15 107.190 0.06 . . . . . . . 106 GLY N . 27019 1 975 . 1 1 107 107 GLU H H 1 8.104 0.00 . . . . . . . 107 GLU H . 27019 1 976 . 1 1 107 107 GLU HA H 1 4.630 0.01 . . . . . . . 107 GLU HA . 27019 1 977 . 1 1 107 107 GLU HB2 H 1 2.026 0.00 . . . . . . . 107 GLU HB2 . 27019 1 978 . 1 1 107 107 GLU HB3 H 1 1.890 0.00 . . . . . . . 107 GLU HB3 . 27019 1 979 . 1 1 107 107 GLU HG2 H 1 2.326 0.00 . . . . . . . 107 GLU HG2 . 27019 1 980 . 1 1 107 107 GLU HG3 H 1 2.217 0.00 . . . . . . . 107 GLU HG3 . 27019 1 981 . 1 1 107 107 GLU C C 13 169.292 0.00 . . . . . . . 107 GLU C . 27019 1 982 . 1 1 107 107 GLU CA C 13 52.861 0.05 . . . . . . . 107 GLU CA . 27019 1 983 . 1 1 107 107 GLU CB C 13 28.742 0.01 . . . . . . . 107 GLU CB . 27019 1 984 . 1 1 107 107 GLU CG C 13 33.562 0.00 . . . . . . . 107 GLU CG . 27019 1 985 . 1 1 107 107 GLU N N 15 120.586 0.04 . . . . . . . 107 GLU N . 27019 1 986 . 1 1 108 108 TRP H H 1 9.258 0.00 . . . . . . . 108 TRP H . 27019 1 987 . 1 1 108 108 TRP HA H 1 5.298 0.00 . . . . . . . 108 TRP HA . 27019 1 988 . 1 1 108 108 TRP HB2 H 1 3.254 0.00 . . . . . . . 108 TRP HB2 . 27019 1 989 . 1 1 108 108 TRP HB3 H 1 3.090 0.00 . . . . . . . 108 TRP HB3 . 27019 1 990 . 1 1 108 108 TRP C C 13 174.312 0.00 . . . . . . . 108 TRP C . 27019 1 991 . 1 1 108 108 TRP CA C 13 55.234 0.02 . . . . . . . 108 TRP CA . 27019 1 992 . 1 1 108 108 TRP CB C 13 27.698 0.06 . . . . . . . 108 TRP CB . 27019 1 993 . 1 1 108 108 TRP N N 15 128.245 0.04 . . . . . . . 108 TRP N . 27019 1 994 . 1 1 109 109 THR H H 1 9.196 0.00 . . . . . . . 109 THR H . 27019 1 995 . 1 1 109 109 THR HA H 1 4.768 0.01 . . . . . . . 109 THR HA . 27019 1 996 . 1 1 109 109 THR HB H 1 4.173 0.00 . . . . . . . 109 THR HB . 27019 1 997 . 1 1 109 109 THR C C 13 174.314 0.00 . . . . . . . 109 THR C . 27019 1 998 . 1 1 109 109 THR CA C 13 57.802 0.05 . . . . . . . 109 THR CA . 27019 1 999 . 1 1 109 109 THR CB C 13 69.714 0.06 . . . . . . . 109 THR CB . 27019 1 1000 . 1 1 109 109 THR CG2 C 13 19.362 0.00 . . . . . . . 109 THR CG . 27019 1 1001 . 1 1 109 109 THR N N 15 114.725 0.03 . . . . . . . 109 THR N . 27019 1 1002 . 1 1 110 110 TYR H H 1 8.530 0.00 . . . . . . . 110 TYR H . 27019 1 1003 . 1 1 110 110 TYR HA H 1 4.941 0.00 . . . . . . . 110 TYR HA . 27019 1 1004 . 1 1 110 110 TYR HB2 H 1 2.776 0.00 . . . . . . . 110 TYR HB2 . 27019 1 1005 . 1 1 110 110 TYR HB3 H 1 2.442 0.00 . . . . . . . 110 TYR HB3 . 27019 1 1006 . 1 1 110 110 TYR C C 13 170.003 0.00 . . . . . . . 110 TYR C . 27019 1 1007 . 1 1 110 110 TYR CA C 13 54.347 0.04 . . . . . . . 110 TYR CA . 27019 1 1008 . 1 1 110 110 TYR CB C 13 38.835 0.02 . . . . . . . 110 TYR CB . 27019 1 1009 . 1 1 110 110 TYR N N 15 120.827 0.05 . . . . . . . 110 TYR N . 27019 1 1010 . 1 1 111 111 ASP H H 1 7.497 0.00 . . . . . . . 111 ASP H . 27019 1 1011 . 1 1 111 111 ASP HA H 1 4.545 0.00 . . . . . . . 111 ASP HA . 27019 1 1012 . 1 1 111 111 ASP HB2 H 1 2.511 0.00 . . . . . . . 111 ASP HB2 . 27019 1 1013 . 1 1 111 111 ASP HB3 H 1 2.207 0.00 . . . . . . . 111 ASP HB3 . 27019 1 1014 . 1 1 111 111 ASP C C 13 170.565 0.00 . . . . . . . 111 ASP C . 27019 1 1015 . 1 1 111 111 ASP CA C 13 49.291 0.04 . . . . . . . 111 ASP CA . 27019 1 1016 . 1 1 111 111 ASP CB C 13 40.235 0.09 . . . . . . . 111 ASP CB . 27019 1 1017 . 1 1 111 111 ASP N N 15 128.374 0.04 . . . . . . . 111 ASP N . 27019 1 1018 . 1 1 112 112 ASP H H 1 8.428 0.00 . . . . . . . 112 ASP H . 27019 1 1019 . 1 1 112 112 ASP HA H 1 4.009 0.00 . . . . . . . 112 ASP HA . 27019 1 1020 . 1 1 112 112 ASP C C 13 171.822 0.00 . . . . . . . 112 ASP C . 27019 1 1021 . 1 1 112 112 ASP CA C 13 53.633 0.02 . . . . . . . 112 ASP CA . 27019 1 1022 . 1 1 112 112 ASP CB C 13 39.097 0.10 . . . . . . . 112 ASP CB . 27019 1 1023 . 1 1 112 112 ASP N N 15 124.754 0.03 . . . . . . . 112 ASP N . 27019 1 1024 . 1 1 113 113 ALA H H 1 8.188 0.00 . . . . . . . 113 ALA H . 27019 1 1025 . 1 1 113 113 ALA HA H 1 4.015 0.00 . . . . . . . 113 ALA HA . 27019 1 1026 . 1 1 113 113 ALA HB1 H 1 1.412 0.00 . . . . . . . 113 ALA HB . 27019 1 1027 . 1 1 113 113 ALA HB2 H 1 1.412 0.00 . . . . . . . 113 ALA HB . 27019 1 1028 . 1 1 113 113 ALA HB3 H 1 1.412 0.00 . . . . . . . 113 ALA HB . 27019 1 1029 . 1 1 113 113 ALA C C 13 175.283 0.00 . . . . . . . 113 ALA C . 27019 1 1030 . 1 1 113 113 ALA CA C 13 52.429 0.01 . . . . . . . 113 ALA CA . 27019 1 1031 . 1 1 113 113 ALA CB C 13 15.705 0.04 . . . . . . . 113 ALA CB . 27019 1 1032 . 1 1 113 113 ALA N N 15 119.961 0.03 . . . . . . . 113 ALA N . 27019 1 1033 . 1 1 114 114 THR H H 1 6.914 0.00 . . . . . . . 114 THR H . 27019 1 1034 . 1 1 114 114 THR HA H 1 4.310 0.00 . . . . . . . 114 THR HA . 27019 1 1035 . 1 1 114 114 THR HG21 H 1 0.996 0.00 . . . . . . . 114 THR HG2 . 27019 1 1036 . 1 1 114 114 THR HG22 H 1 0.996 0.00 . . . . . . . 114 THR HG2 . 27019 1 1037 . 1 1 114 114 THR HG23 H 1 0.996 0.00 . . . . . . . 114 THR HG2 . 27019 1 1038 . 1 1 114 114 THR C C 13 168.991 0.00 . . . . . . . 114 THR C . 27019 1 1039 . 1 1 114 114 THR CA C 13 57.739 0.02 . . . . . . . 114 THR CA . 27019 1 1040 . 1 1 114 114 THR CB C 13 67.528 0.03 . . . . . . . 114 THR CB . 27019 1 1041 . 1 1 114 114 THR CG2 C 13 18.539 0.00 . . . . . . . 114 THR CG . 27019 1 1042 . 1 1 114 114 THR N N 15 129.262 0.03 . . . . . . . 114 THR N . 27019 1 1043 . 1 1 115 115 LYS H H 1 7.745 0.00 . . . . . . . 115 LYS H . 27019 1 1044 . 1 1 115 115 LYS HA H 1 4.018 0.01 . . . . . . . 115 LYS HA . 27019 1 1045 . 1 1 115 115 LYS HB2 H 1 1.930 0.00 . . . . . . . 115 LYS HB2 . 27019 1 1046 . 1 1 115 115 LYS HB3 H 1 1.808 0.00 . . . . . . . 115 LYS HB3 . 27019 1 1047 . 1 1 115 115 LYS HG2 H 1 1.398 0.00 . . . . . . . 115 LYS HG2 . 27019 1 1048 . 1 1 115 115 LYS HG3 H 1 1.194 0.00 . . . . . . . 115 LYS HG3 . 27019 1 1049 . 1 1 115 115 LYS C C 13 172.416 0.00 . . . . . . . 115 LYS C . 27019 1 1050 . 1 1 115 115 LYS CA C 13 54.495 0.01 . . . . . . . 115 LYS CA . 27019 1 1051 . 1 1 115 115 LYS CB C 13 27.321 0.01 . . . . . . . 115 LYS CB . 27019 1 1052 . 1 1 115 115 LYS CG C 13 22.486 0.00 . . . . . . . 115 LYS CG . 27019 1 1053 . 1 1 115 115 LYS CD C 13 26.236 0.00 . . . . . . . 115 LYS CD . 27019 1 1054 . 1 1 115 115 LYS N N 15 123.282 0.05 . . . . . . . 115 LYS N . 27019 1 1055 . 1 1 116 116 THR H H 1 7.227 0.00 . . . . . . . 116 THR H . 27019 1 1056 . 1 1 116 116 THR HA H 1 5.402 0.00 . . . . . . . 116 THR HA . 27019 1 1057 . 1 1 116 116 THR HB H 1 3.663 0.00 . . . . . . . 116 THR HB . 27019 1 1058 . 1 1 116 116 THR HG21 H 1 0.907 0.00 . . . . . . . 116 THR HG2 . 27019 1 1059 . 1 1 116 116 THR HG22 H 1 0.907 0.00 . . . . . . . 116 THR HG2 . 27019 1 1060 . 1 1 116 116 THR HG23 H 1 0.907 0.00 . . . . . . . 116 THR HG2 . 27019 1 1061 . 1 1 116 116 THR C C 13 172.118 0.00 . . . . . . . 116 THR C . 27019 1 1062 . 1 1 116 116 THR CA C 13 59.359 0.00 . . . . . . . 116 THR CA . 27019 1 1063 . 1 1 116 116 THR CB C 13 69.213 0.04 . . . . . . . 116 THR CB . 27019 1 1064 . 1 1 116 116 THR CG2 C 13 17.437 0.00 . . . . . . . 116 THR CG . 27019 1 1065 . 1 1 116 116 THR N N 15 110.660 0.05 . . . . . . . 116 THR N . 27019 1 1066 . 1 1 117 117 PHE H H 1 10.210 0.00 . . . . . . . 117 PHE H . 27019 1 1067 . 1 1 117 117 PHE HA H 1 5.568 0.01 . . . . . . . 117 PHE HA . 27019 1 1068 . 1 1 117 117 PHE HB2 H 1 3.186 0.00 . . . . . . . 117 PHE HB2 . 27019 1 1069 . 1 1 117 117 PHE HB3 H 1 3.022 0.00 . . . . . . . 117 PHE HB3 . 27019 1 1070 . 1 1 117 117 PHE C C 13 172.490 0.00 . . . . . . . 117 PHE C . 27019 1 1071 . 1 1 117 117 PHE CA C 13 54.607 0.04 . . . . . . . 117 PHE CA . 27019 1 1072 . 1 1 117 117 PHE CB C 13 39.636 0.06 . . . . . . . 117 PHE CB . 27019 1 1073 . 1 1 117 117 PHE N N 15 131.038 0.03 . . . . . . . 117 PHE N . 27019 1 1074 . 1 1 118 118 THR H H 1 9.102 0.00 . . . . . . . 118 THR H . 27019 1 1075 . 1 1 118 118 THR HA H 1 5.152 0.01 . . . . . . . 118 THR HA . 27019 1 1076 . 1 1 118 118 THR HB H 1 3.767 0.00 . . . . . . . 118 THR HB . 27019 1 1077 . 1 1 118 118 THR HG21 H 1 0.962 0.00 . . . . . . . 118 THR HG2 . 27019 1 1078 . 1 1 118 118 THR HG22 H 1 0.962 0.00 . . . . . . . 118 THR HG2 . 27019 1 1079 . 1 1 118 118 THR HG23 H 1 0.962 0.00 . . . . . . . 118 THR HG2 . 27019 1 1080 . 1 1 118 118 THR C C 13 171.614 0.00 . . . . . . . 118 THR C . 27019 1 1081 . 1 1 118 118 THR CA C 13 59.052 0.03 . . . . . . . 118 THR CA . 27019 1 1082 . 1 1 118 118 THR CB C 13 68.067 0.04 . . . . . . . 118 THR CB . 27019 1 1083 . 1 1 118 118 THR CG2 C 13 18.126 0.00 . . . . . . . 118 THR CG . 27019 1 1084 . 1 1 118 118 THR N N 15 118.270 0.04 . . . . . . . 118 THR N . 27019 1 1085 . 1 1 119 119 VAL H H 1 7.973 0.00 . . . . . . . 119 VAL H . 27019 1 1086 . 1 1 119 119 VAL HA H 1 4.425 0.01 . . . . . . . 119 VAL HA . 27019 1 1087 . 1 1 119 119 VAL C C 13 170.073 0.00 . . . . . . . 119 VAL C . 27019 1 1088 . 1 1 119 119 VAL CA C 13 55.674 0.05 . . . . . . . 119 VAL CA . 27019 1 1089 . 1 1 119 119 VAL CB C 13 29.792 0.04 . . . . . . . 119 VAL CB . 27019 1 1090 . 1 1 119 119 VAL CG1 C 13 17.492 0.00 . . . . . . . 119 VAL CG1 . 27019 1 1091 . 1 1 119 119 VAL CG2 C 13 23.378 0.00 . . . . . . . 119 VAL CG2 . 27019 1 1092 . 1 1 119 119 VAL N N 15 123.696 0.03 . . . . . . . 119 VAL N . 27019 1 1093 . 1 1 120 120 THR H H 1 8.308 0.00 . . . . . . . 120 THR H . 27019 1 1094 . 1 1 120 120 THR HA H 1 4.607 0.00 . . . . . . . 120 THR HA . 27019 1 1095 . 1 1 120 120 THR HB H 1 3.805 0.00 . . . . . . . 120 THR HB . 27019 1 1096 . 1 1 120 120 THR HG21 H 1 1.162 0.00 . . . . . . . 120 THR HG2 . 27019 1 1097 . 1 1 120 120 THR HG22 H 1 1.162 0.00 . . . . . . . 120 THR HG2 . 27019 1 1098 . 1 1 120 120 THR HG23 H 1 1.162 0.00 . . . . . . . 120 THR HG2 . 27019 1 1099 . 1 1 120 120 THR C C 13 170.786 0.00 . . . . . . . 120 THR C . 27019 1 1100 . 1 1 120 120 THR CA C 13 58.818 0.02 . . . . . . . 120 THR CA . 27019 1 1101 . 1 1 120 120 THR CB C 13 68.094 0.05 . . . . . . . 120 THR CB . 27019 1 1102 . 1 1 120 120 THR CG2 C 13 18.672 0.00 . . . . . . . 120 THR CG . 27019 1 1103 . 1 1 120 120 THR N N 15 123.758 0.09 . . . . . . . 120 THR N . 27019 1 1104 . 1 1 121 121 GLU H H 1 7.760 0.00 . . . . . . . 121 GLU H . 27019 1 1105 . 1 1 121 121 GLU HA H 1 4.875 0.00 . . . . . . . 121 GLU HA . 27019 1 1106 . 1 1 121 121 GLU C C 13 171.307 0.00 . . . . . . . 121 GLU C . 27019 1 1107 . 1 1 121 121 GLU CA C 13 55.645 0.00 . . . . . . . 121 GLU CA . 27019 1 1108 . 1 1 121 121 GLU CB C 13 29.891 0.00 . . . . . . . 121 GLU CB . 27019 1 1109 . 1 1 121 121 GLU N N 15 107.659 0.03 . . . . . . . 121 GLU N . 27019 1 stop_ save_