data_16233 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16233 _Entry.Title ; 1H, 13C, 15N Chemical Shift Assignments for Eimeria tenella microneme protein 3 mar1a domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-30 _Entry.Accession_date 2009-03-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Livia Lai . . . 16233 2 Stephen Matthews . . . 16233 3 Pete Simpson . . . 16233 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16233 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 481 16233 '15N chemical shifts' 121 16233 '1H chemical shifts' 676 16233 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 3 . . 2009-11-24 2009-03-30 update BMRB 'update entry citation' 16233 2 . . 2009-05-29 2009-03-30 update author 'update disulfide bonds, chemical shift reference, chemical shifts, chemical shift value errors, and ambiguity codes' 16233 1 . . 2009-05-20 2009-03-30 original author 'original release' 16233 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LBO 'BMRB Entry Tracking System' 16233 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16233 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19888684 _Citation.Full_citation . _Citation.Title ; Complete NMR assignments for the second microneme adhesive repeat (MAR) domain from Eimeria tenella microneme protein EtMIC3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 175 _Citation.Page_last 177 _Citation.Year 2009 _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.Entry_ID _Citation_author.Citation_ID 1 Livia Lai . . . 16233 1 2 Pete Simpson . . . 16233 1 3 Janine Bumstead . . . 16233 1 4 Fiona Tomley . . . 16233 1 5 Stephen Matthews . . . 16233 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 16233 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15694485 _Citation.Full_citation . _Citation.Title 'Eimeria tenella microneme protein EtMIC3: identification, localisation and role in host cell infection.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Biochem. Parasitol.' _Citation.Journal_name_full . _Citation.Journal_volume 140 _Citation.Journal_issue 1 _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 43 _Citation.Page_last 53 _Citation.Year 2005 _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.Entry_ID _Citation_author.Citation_ID 1 M. Labbe . . . 16233 2 2 P. 'de Venevelles' . . . 16233 2 3 F. Girard-Misguich . . . 16233 2 4 C. Bourdieu . . . 16233 2 5 A. Guillaume . . . 16233 2 6 P. Pery . . . 16233 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16233 _Assembly.ID 1 _Assembly.Name 'Eimeria tenella microneme protein 3 mar1a domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 mar1a 1 $mar1a A . yes native no no . . . 16233 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide 1 . 1 mar1a 1 CYS 12 12 SG . 1 mar1a 1 CYS 50 50 SG . mar1a 13 CYS SG . mar1a 51 CYS SG 16233 1 2 disulfide 1 . 1 mar1a 1 CYS 20 20 SG . 1 mar1a 1 CYS 28 28 SG . mar1a 21 CYS SG . mar1a 29 CYS SG 16233 1 3 disulfide 1 . 1 mar1a 1 CYS 65 65 SG . 1 mar1a 1 CYS 75 75 SG . mar1a 66 CYS SG . mar1a 76 CYS SG 16233 1 4 disulfide 1 . 1 mar1a 1 CYS 69 69 SG . 1 mar1a 1 CYS 105 105 SG . mar1a 70 CYS SG . mar1a 106 CYS SG 16233 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mar1a _Entity.Sf_category entity _Entity.Sf_framecode mar1a _Entity.Entry_ID 16233 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mar1a _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 ; APTLQEALDRKCAQFGKESC NSGLASYCGAAIYARYDKGN SSQQTKEWRCYIEKELDFSK SGDGCVDDCGSMTSCRGSVS GPSTSHLTRPSELQAVIDSD KSNYCTDKSEQQPSQATPPP EIP ; _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 123 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2LBO . "Eimeria Tenella Microneme Protein 3 Mar_b Domain" . . . . . 100.00 123 100.00 100.00 6.33e-84 . . . . 16233 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 16233 1 2 . PRO . 16233 1 3 . THR . 16233 1 4 . LEU . 16233 1 5 . GLN . 16233 1 6 . GLU . 16233 1 7 . ALA . 16233 1 8 . LEU . 16233 1 9 . ASP . 16233 1 10 . ARG . 16233 1 11 . LYS . 16233 1 12 . CYS . 16233 1 13 . ALA . 16233 1 14 . GLN . 16233 1 15 . PHE . 16233 1 16 . GLY . 16233 1 17 . LYS . 16233 1 18 . GLU . 16233 1 19 . SER . 16233 1 20 . CYS . 16233 1 21 . ASN . 16233 1 22 . SER . 16233 1 23 . GLY . 16233 1 24 . LEU . 16233 1 25 . ALA . 16233 1 26 . SER . 16233 1 27 . TYR . 16233 1 28 . CYS . 16233 1 29 . GLY . 16233 1 30 . ALA . 16233 1 31 . ALA . 16233 1 32 . ILE . 16233 1 33 . TYR . 16233 1 34 . ALA . 16233 1 35 . ARG . 16233 1 36 . TYR . 16233 1 37 . ASP . 16233 1 38 . LYS . 16233 1 39 . GLY . 16233 1 40 . ASN . 16233 1 41 . SER . 16233 1 42 . SER . 16233 1 43 . GLN . 16233 1 44 . GLN . 16233 1 45 . THR . 16233 1 46 . LYS . 16233 1 47 . GLU . 16233 1 48 . TRP . 16233 1 49 . ARG . 16233 1 50 . CYS . 16233 1 51 . TYR . 16233 1 52 . ILE . 16233 1 53 . GLU . 16233 1 54 . LYS . 16233 1 55 . GLU . 16233 1 56 . LEU . 16233 1 57 . ASP . 16233 1 58 . PHE . 16233 1 59 . SER . 16233 1 60 . LYS . 16233 1 61 . SER . 16233 1 62 . GLY . 16233 1 63 . ASP . 16233 1 64 . GLY . 16233 1 65 . CYS . 16233 1 66 . VAL . 16233 1 67 . ASP . 16233 1 68 . ASP . 16233 1 69 . CYS . 16233 1 70 . GLY . 16233 1 71 . SER . 16233 1 72 . MET . 16233 1 73 . THR . 16233 1 74 . SER . 16233 1 75 . CYS . 16233 1 76 . ARG . 16233 1 77 . GLY . 16233 1 78 . SER . 16233 1 79 . VAL . 16233 1 80 . SER . 16233 1 81 . GLY . 16233 1 82 . PRO . 16233 1 83 . SER . 16233 1 84 . THR . 16233 1 85 . SER . 16233 1 86 . HIS . 16233 1 87 . LEU . 16233 1 88 . THR . 16233 1 89 . ARG . 16233 1 90 . PRO . 16233 1 91 . SER . 16233 1 92 . GLU . 16233 1 93 . LEU . 16233 1 94 . GLN . 16233 1 95 . ALA . 16233 1 96 . VAL . 16233 1 97 . ILE . 16233 1 98 . ASP . 16233 1 99 . SER . 16233 1 100 . ASP . 16233 1 101 . LYS . 16233 1 102 . SER . 16233 1 103 . ASN . 16233 1 104 . TYR . 16233 1 105 . CYS . 16233 1 106 . THR . 16233 1 107 . ASP . 16233 1 108 . LYS . 16233 1 109 . SER . 16233 1 110 . GLU . 16233 1 111 . GLN . 16233 1 112 . GLN . 16233 1 113 . PRO . 16233 1 114 . SER . 16233 1 115 . GLN . 16233 1 116 . ALA . 16233 1 117 . THR . 16233 1 118 . PRO . 16233 1 119 . PRO . 16233 1 120 . PRO . 16233 1 121 . GLU . 16233 1 122 . ILE . 16233 1 123 . PRO . 16233 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 16233 1 . PRO 2 2 16233 1 . THR 3 3 16233 1 . LEU 4 4 16233 1 . GLN 5 5 16233 1 . GLU 6 6 16233 1 . ALA 7 7 16233 1 . LEU 8 8 16233 1 . ASP 9 9 16233 1 . ARG 10 10 16233 1 . LYS 11 11 16233 1 . CYS 12 12 16233 1 . ALA 13 13 16233 1 . GLN 14 14 16233 1 . PHE 15 15 16233 1 . GLY 16 16 16233 1 . LYS 17 17 16233 1 . GLU 18 18 16233 1 . SER 19 19 16233 1 . CYS 20 20 16233 1 . ASN 21 21 16233 1 . SER 22 22 16233 1 . GLY 23 23 16233 1 . LEU 24 24 16233 1 . ALA 25 25 16233 1 . SER 26 26 16233 1 . TYR 27 27 16233 1 . CYS 28 28 16233 1 . GLY 29 29 16233 1 . ALA 30 30 16233 1 . ALA 31 31 16233 1 . ILE 32 32 16233 1 . TYR 33 33 16233 1 . ALA 34 34 16233 1 . ARG 35 35 16233 1 . TYR 36 36 16233 1 . ASP 37 37 16233 1 . LYS 38 38 16233 1 . GLY 39 39 16233 1 . ASN 40 40 16233 1 . SER 41 41 16233 1 . SER 42 42 16233 1 . GLN 43 43 16233 1 . GLN 44 44 16233 1 . THR 45 45 16233 1 . LYS 46 46 16233 1 . GLU 47 47 16233 1 . TRP 48 48 16233 1 . ARG 49 49 16233 1 . CYS 50 50 16233 1 . TYR 51 51 16233 1 . ILE 52 52 16233 1 . GLU 53 53 16233 1 . LYS 54 54 16233 1 . GLU 55 55 16233 1 . LEU 56 56 16233 1 . ASP 57 57 16233 1 . PHE 58 58 16233 1 . SER 59 59 16233 1 . LYS 60 60 16233 1 . SER 61 61 16233 1 . GLY 62 62 16233 1 . ASP 63 63 16233 1 . GLY 64 64 16233 1 . CYS 65 65 16233 1 . VAL 66 66 16233 1 . ASP 67 67 16233 1 . ASP 68 68 16233 1 . CYS 69 69 16233 1 . GLY 70 70 16233 1 . SER 71 71 16233 1 . MET 72 72 16233 1 . THR 73 73 16233 1 . SER 74 74 16233 1 . CYS 75 75 16233 1 . ARG 76 76 16233 1 . GLY 77 77 16233 1 . SER 78 78 16233 1 . VAL 79 79 16233 1 . SER 80 80 16233 1 . GLY 81 81 16233 1 . PRO 82 82 16233 1 . SER 83 83 16233 1 . THR 84 84 16233 1 . SER 85 85 16233 1 . HIS 86 86 16233 1 . LEU 87 87 16233 1 . THR 88 88 16233 1 . ARG 89 89 16233 1 . PRO 90 90 16233 1 . SER 91 91 16233 1 . GLU 92 92 16233 1 . LEU 93 93 16233 1 . GLN 94 94 16233 1 . ALA 95 95 16233 1 . VAL 96 96 16233 1 . ILE 97 97 16233 1 . ASP 98 98 16233 1 . SER 99 99 16233 1 . ASP 100 100 16233 1 . LYS 101 101 16233 1 . SER 102 102 16233 1 . ASN 103 103 16233 1 . TYR 104 104 16233 1 . CYS 105 105 16233 1 . THR 106 106 16233 1 . ASP 107 107 16233 1 . LYS 108 108 16233 1 . SER 109 109 16233 1 . GLU 110 110 16233 1 . GLN 111 111 16233 1 . GLN 112 112 16233 1 . PRO 113 113 16233 1 . SER 114 114 16233 1 . GLN 115 115 16233 1 . ALA 116 116 16233 1 . THR 117 117 16233 1 . PRO 118 118 16233 1 . PRO 119 119 16233 1 . PRO 120 120 16233 1 . GLU 121 121 16233 1 . ILE 122 122 16233 1 . PRO 123 123 16233 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16233 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mar1a . 5802 organism . 'Eimeria tenella' 'Eimeria tenella' . . Eukaryota . Eimeria tenella . . . . . . . . . . . . . . . . . . . . . 16233 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 16233 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mar1a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Origami (DE3)' . . . . . . . . . . . . . . . 'pET32 Xa/LIC' . . . . . . 16233 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_mar1a_H2O _Sample.Sf_category sample _Sample.Sf_framecode mar1a_H2O _Sample.Entry_ID 16233 _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 mar1a '[U-13C; U-15N]' . . 1 $mar1a . . 0.5 . . mM . . . . 16233 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16233 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16233 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16233 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16233 1 stop_ save_ save_mar1a_D2O _Sample.Sf_category sample _Sample.Sf_framecode mar1a_D2O _Sample.Entry_ID 16233 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 mar1a '[U-13C; U-15N]' . . 1 $mar1a . . 0.5 . . mM . . . . 16233 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16233 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16233 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16233 2 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 16233 _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 pH 6 . pH 16233 1 pressure 1 . atm 16233 1 temperature 303 . K 16233 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16233 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16233 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16233 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16233 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16233 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16233 2 'data analysis' 16233 2 'peak picking' 16233 2 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 16233 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16233 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16233 _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 DRX . 500 . . . 16233 1 2 spectrometer_2 Bruker Avance . 800 . . . 16233 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 16233 _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 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 3 '3D HNCACB' no . . . . . . . . . . 1 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 6 '3D HNCO' no . . . . . . . . . . 1 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $mar1a_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16233 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $mar1a_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16233 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $mar1a_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16233 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 16233 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.725 internal indirect 0.251449530 . . . . . . . . . 16233 1 H 1 water protons . . . . ppm 4.725 internal direct 1 . . . . . . . . . 16233 1 N 15 water protons . . . . ppm 4.725 internal indirect 0.01329118 . . . . . . . . . 16233 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 16233 _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' . . . 16233 1 2 '2D 1H-13C HSQC' . . . 16233 1 3 '3D HNCACB' . . . 16233 1 4 '3D CBCA(CO)NH' . . . 16233 1 5 '3D HN(CO)CA' . . . 16233 1 6 '3D HNCO' . . . 16233 1 7 '3D HBHA(CO)NH' . . . 16233 1 8 '3D HCCH-TOCSY' . . . 16233 1 9 '3D H(CCO)NH' . . . 16233 1 10 '3D 1H-15N NOESY' . . . 16233 1 11 '3D 1H-13C NOESY' . . . 16233 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.616 0.04 . 1 . . . . 2 P HA . 16233 1 2 . 1 1 2 2 PRO HB2 H 1 2.491 0.04 . 2 . . . . 2 P HB1 . 16233 1 3 . 1 1 2 2 PRO HB3 H 1 2.256 0.04 . 2 . . . . 2 P HB2 . 16233 1 4 . 1 1 2 2 PRO HD2 H 1 3.947 0.04 . 2 . . . . 2 P HD1 . 16233 1 5 . 1 1 2 2 PRO HG2 H 1 2.145 0.04 . 2 . . . . 2 P HG1 . 16233 1 6 . 1 1 2 2 PRO HG3 H 1 2.145 0.04 . 2 . . . . 2 P HG2 . 16233 1 7 . 1 1 2 2 PRO C C 13 176.428 1 . 1 . . . . 2 P C . 16233 1 8 . 1 1 2 2 PRO CA C 13 64.928 1 . 1 . . . . 2 P CA . 16233 1 9 . 1 1 2 2 PRO CB C 13 32.693 1 . 1 . . . . 2 P CB . 16233 1 10 . 1 1 2 2 PRO CD C 13 51.715 1 . 1 . . . . 2 P CD . 16233 1 11 . 1 1 2 2 PRO CG C 13 27.629 1 . 1 . . . . 2 P CG . 16233 1 12 . 1 1 3 3 THR H H 1 6.886 0.04 . 1 . . . . 3 T HN . 16233 1 13 . 1 1 3 3 THR HA H 1 4.341 0.04 . 1 . . . . 3 T HA . 16233 1 14 . 1 1 3 3 THR HB H 1 4.637 0.04 . 1 . . . . 3 T HB . 16233 1 15 . 1 1 3 3 THR HG21 H 1 1.321 0.04 . 1 . . . . 3 T HG21 . 16233 1 16 . 1 1 3 3 THR HG22 H 1 1.321 0.04 . 1 . . . . 3 T HG21 . 16233 1 17 . 1 1 3 3 THR HG23 H 1 1.321 0.04 . 1 . . . . 3 T HG21 . 16233 1 18 . 1 1 3 3 THR C C 13 173.218 1 . 1 . . . . 3 T C . 16233 1 19 . 1 1 3 3 THR CA C 13 59.013 1 . 1 . . . . 3 T CA . 16233 1 20 . 1 1 3 3 THR CB C 13 73.266 1 . 1 . . . . 3 T CB . 16233 1 21 . 1 1 3 3 THR CG2 C 13 21.774 1 . 1 . . . . 3 T CG2 . 16233 1 22 . 1 1 3 3 THR N N 15 105.176 0.5 . 1 . . . . 3 T N . 16233 1 23 . 1 1 4 4 LEU H H 1 8.036 0.04 . 1 . . . . 4 L HN . 16233 1 24 . 1 1 4 4 LEU HA H 1 3.388 0.04 . 1 . . . . 4 L HA . 16233 1 25 . 1 1 4 4 LEU HB2 H 1 1.832 0.04 . 2 . . . . 4 L HB1 . 16233 1 26 . 1 1 4 4 LEU HB3 H 1 0.971 0.04 . 2 . . . . 4 L HB2 . 16233 1 27 . 1 1 4 4 LEU HD11 H 1 0.792 0.04 . 2 . . . . 4 L HD11 . 16233 1 28 . 1 1 4 4 LEU HD12 H 1 0.792 0.04 . 2 . . . . 4 L HD11 . 16233 1 29 . 1 1 4 4 LEU HD13 H 1 0.792 0.04 . 2 . . . . 4 L HD11 . 16233 1 30 . 1 1 4 4 LEU HD21 H 1 0.246 0.04 . 2 . . . . 4 L HD21 . 16233 1 31 . 1 1 4 4 LEU HD22 H 1 0.246 0.04 . 2 . . . . 4 L HD21 . 16233 1 32 . 1 1 4 4 LEU HD23 H 1 0.246 0.04 . 2 . . . . 4 L HD21 . 16233 1 33 . 1 1 4 4 LEU HG H 1 1.35 0.04 . 1 . . . . 4 L HG . 16233 1 34 . 1 1 4 4 LEU C C 13 178.118 1 . 1 . . . . 4 L C . 16233 1 35 . 1 1 4 4 LEU CA C 13 56.865 1 . 1 . . . . 4 L CA . 16233 1 36 . 1 1 4 4 LEU CB C 13 41.47 1 . 1 . . . . 4 L CB . 16233 1 37 . 1 1 4 4 LEU CD1 C 13 23.5 1 . 1 . . . . 4 L CD1 . 16233 1 38 . 1 1 4 4 LEU CD2 C 13 23.5 1 . 1 . . . . 4 L CD2 . 16233 1 39 . 1 1 4 4 LEU CG C 13 26.9 1 . 1 . . . . 4 L CG . 16233 1 40 . 1 1 4 4 LEU N N 15 123.307 0.5 . 1 . . . . 4 L N . 16233 1 41 . 1 1 5 5 GLN H H 1 8.932 0.04 . 1 . . . . 5 Q HN . 16233 1 42 . 1 1 5 5 GLN HA H 1 3.728 0.04 . 1 . . . . 5 Q HA . 16233 1 43 . 1 1 5 5 GLN HB2 H 1 1.770 0.04 . 2 . . . . 5 Q HB1 . 16233 1 44 . 1 1 5 5 GLN HB3 H 1 2.820 0.04 . 2 . . . . 5 Q HB2 . 16233 1 45 . 1 1 5 5 GLN HE21 H 1 6.77 0.04 . 2 . . . . 5 Q HE21 . 16233 1 46 . 1 1 5 5 GLN HE22 H 1 7.72 0.04 . 2 . . . . 5 Q HE22 . 16233 1 47 . 1 1 5 5 GLN HG2 H 1 2.522 0.04 . 2 . . . . 5 Q HG1 . 16233 1 48 . 1 1 5 5 GLN HG3 H 1 2.302 0.04 . 2 . . . . 5 Q HG2 . 16233 1 49 . 1 1 5 5 GLN C C 13 178.226 1 . 1 . . . . 5 Q C . 16233 1 50 . 1 1 5 5 GLN CA C 13 58.617 1 . 1 . . . . 5 Q CA . 16233 1 51 . 1 1 5 5 GLN CB C 13 27.449 1 . 1 . . . . 5 Q CB . 16233 1 52 . 1 1 5 5 GLN CG C 13 33.719 1 . 1 . . . . 5 Q CG . 16233 1 53 . 1 1 5 5 GLN N N 15 118.345 0.5 . 1 . . . . 5 Q N . 16233 1 54 . 1 1 5 5 GLN NE2 N 15 115.1 0.5 . 1 . . . . 5 Q NE2 . 16233 1 55 . 1 1 6 6 GLU H H 1 7.746 0.04 . 1 . . . . 6 E HN . 16233 1 56 . 1 1 6 6 GLU HA H 1 4.292 0.04 . 1 . . . . 6 E HA . 16233 1 57 . 1 1 6 6 GLU HB2 H 1 2.175 0.04 . 2 . . . . 6 E HB1 . 16233 1 58 . 1 1 6 6 GLU HB3 H 1 2.052 0.04 . 2 . . . . 6 E HB2 . 16233 1 59 . 1 1 6 6 GLU HG2 H 1 2.452 0.04 . 2 . . . . 6 E HG1 . 16233 1 60 . 1 1 6 6 GLU HG3 H 1 2.393 0.04 . 2 . . . . 6 E HG2 . 16233 1 61 . 1 1 6 6 GLU C C 13 178.738 1 . 1 . . . . 6 E C . 16233 1 62 . 1 1 6 6 GLU CA C 13 59.258 1 . 1 . . . . 6 E CA . 16233 1 63 . 1 1 6 6 GLU CB C 13 29.711 1 . 1 . . . . 6 E CB . 16233 1 64 . 1 1 6 6 GLU CG C 13 38.041 1 . 1 . . . . 6 E CG . 16233 1 65 . 1 1 6 6 GLU N N 15 116.739 0.5 . 1 . . . . 6 E N . 16233 1 66 . 1 1 7 7 ALA H H 1 7.917 0.04 . 1 . . . . 7 A HN . 16233 1 67 . 1 1 7 7 ALA HA H 1 4.024 0.04 . 1 . . . . 7 A HA . 16233 1 68 . 1 1 7 7 ALA HB1 H 1 1.588 0.04 . 1 . . . . 7 A HB1 . 16233 1 69 . 1 1 7 7 ALA HB2 H 1 1.588 0.04 . 1 . . . . 7 A HB1 . 16233 1 70 . 1 1 7 7 ALA HB3 H 1 1.588 0.04 . 1 . . . . 7 A HB1 . 16233 1 71 . 1 1 7 7 ALA C C 13 181.172 1 . 1 . . . . 7 A C . 16233 1 72 . 1 1 7 7 ALA CA C 13 55.435 1 . 1 . . . . 7 A CA . 16233 1 73 . 1 1 7 7 ALA CB C 13 16.881 1 . 1 . . . . 7 A CB . 16233 1 74 . 1 1 7 7 ALA N N 15 125.090 0.5 . 1 . . . . 7 A N . 16233 1 75 . 1 1 8 8 LEU H H 1 7.894 0.04 . 1 . . . . 8 L HN . 16233 1 76 . 1 1 8 8 LEU HA H 1 3.844 0.04 . 1 . . . . 8 L HA . 16233 1 77 . 1 1 8 8 LEU HB2 H 1 2.096 0.04 . 2 . . . . 8 L HB1 . 16233 1 78 . 1 1 8 8 LEU HB3 H 1 1.132 0.04 . 2 . . . . 8 L HB2 . 16233 1 79 . 1 1 8 8 LEU HD11 H 1 0.269 0.04 . 2 . . . . 8 L HD11 . 16233 1 80 . 1 1 8 8 LEU HD12 H 1 0.269 0.04 . 2 . . . . 8 L HD11 . 16233 1 81 . 1 1 8 8 LEU HD13 H 1 0.269 0.04 . 2 . . . . 8 L HD11 . 16233 1 82 . 1 1 8 8 LEU HD21 H 1 0.223 0.04 . 2 . . . . 8 L HD21 . 16233 1 83 . 1 1 8 8 LEU HD22 H 1 0.223 0.04 . 2 . . . . 8 L HD21 . 16233 1 84 . 1 1 8 8 LEU HD23 H 1 0.223 0.04 . 2 . . . . 8 L HD21 . 16233 1 85 . 1 1 8 8 LEU HG H 1 1.467 0.04 . 1 . . . . 8 L HG . 16233 1 86 . 1 1 8 8 LEU C C 13 179.249 1 . 1 . . . . 8 L C . 16233 1 87 . 1 1 8 8 LEU CA C 13 58.958 1 . 1 . . . . 8 L CA . 16233 1 88 . 1 1 8 8 LEU CB C 13 41.331 1 . 1 . . . . 8 L CB . 16233 1 89 . 1 1 8 8 LEU CD1 C 13 26.285 1 . 1 . . . . 8 L CD1 . 16233 1 90 . 1 1 8 8 LEU CD2 C 13 24.136 1 . 1 . . . . 8 L CD2 . 16233 1 91 . 1 1 8 8 LEU CG C 13 27.270 1 . 1 . . . . 8 L CG . 16233 1 92 . 1 1 8 8 LEU N N 15 121.723 0.5 . 1 . . . . 8 L N . 16233 1 93 . 1 1 9 9 ASP H H 1 8.822 0.04 . 1 . . . . 9 D HN . 16233 1 94 . 1 1 9 9 ASP HA H 1 4.232 0.04 . 1 . . . . 9 D HA . 16233 1 95 . 1 1 9 9 ASP HB2 H 1 2.965 0.04 . 2 . . . . 9 D HB1 . 16233 1 96 . 1 1 9 9 ASP HB3 H 1 2.946 0.04 . 2 . . . . 9 D HB2 . 16233 1 97 . 1 1 9 9 ASP C C 13 179.947 1 . 1 . . . . 9 D C . 16233 1 98 . 1 1 9 9 ASP CA C 13 58.842 1 . 1 . . . . 9 D CA . 16233 1 99 . 1 1 9 9 ASP CB C 13 39.988 1 . 1 . . . . 9 D CB . 16233 1 100 . 1 1 9 9 ASP N N 15 122.041 0.5 . 1 . . . . 9 D N . 16233 1 101 . 1 1 10 10 ARG H H 1 8.640 0.04 . 1 . . . . 10 R HN . 16233 1 102 . 1 1 10 10 ARG HA H 1 4.075 0.04 . 1 . . . . 10 R HA . 16233 1 103 . 1 1 10 10 ARG HB2 H 1 2.014 0.04 . 2 . . . . 10 R HB1 . 16233 1 104 . 1 1 10 10 ARG HB3 H 1 1.890 0.04 . 2 . . . . 10 R HB2 . 16233 1 105 . 1 1 10 10 ARG HD2 H 1 3.094 0.04 . 2 . . . . 10 R HD1 . 16233 1 106 . 1 1 10 10 ARG HD3 H 1 3.293 0.04 . 2 . . . . 10 R HD2 . 16233 1 107 . 1 1 10 10 ARG HG2 H 1 2.040 0.04 . 2 . . . . 10 R HG1 . 16233 1 108 . 1 1 10 10 ARG HG3 H 1 1.760 0.04 . 2 . . . . 10 R HG2 . 16233 1 109 . 1 1 10 10 ARG C C 13 179.498 1 . 1 . . . . 10 R C . 16233 1 110 . 1 1 10 10 ARG CA C 13 59.382 1 . 1 . . . . 10 R CA . 16233 1 111 . 1 1 10 10 ARG CB C 13 30.136 1 . 1 . . . . 10 R CB . 16233 1 112 . 1 1 10 10 ARG CD C 13 43.861 1 . 1 . . . . 10 R CD . 16233 1 113 . 1 1 10 10 ARG CG C 13 27.218 1 . 1 . . . . 10 R CG . 16233 1 114 . 1 1 10 10 ARG N N 15 120.552 0.5 . 1 . . . . 10 R N . 16233 1 115 . 1 1 11 11 LYS H H 1 7.726 0.04 . 1 . . . . 11 K HN . 16233 1 116 . 1 1 11 11 LYS HA H 1 3.969 0.04 . 1 . . . . 11 K HA . 16233 1 117 . 1 1 11 11 LYS HB2 H 1 2.027 0.04 . 2 . . . . 11 K HB1 . 16233 1 118 . 1 1 11 11 LYS HB3 H 1 1.775 0.04 . 2 . . . . 11 K HB2 . 16233 1 119 . 1 1 11 11 LYS HD2 H 1 1.519 0.04 . 2 . . . . 11 K HD1 . 16233 1 120 . 1 1 11 11 LYS HD3 H 1 1.396 0.04 . 2 . . . . 11 K HD2 . 16233 1 121 . 1 1 11 11 LYS HE2 H 1 2.608 0.04 . 2 . . . . 11 K HE1 . 16233 1 122 . 1 1 11 11 LYS HE3 H 1 2.776 0.04 . 2 . . . . 11 K HE2 . 16233 1 123 . 1 1 11 11 LYS HG2 H 1 0.938 0.04 . 2 . . . . 11 K HG1 . 16233 1 124 . 1 1 11 11 LYS HG3 H 1 1.189 0.04 . 2 . . . . 11 K HG2 . 16233 1 125 . 1 1 11 11 LYS C C 13 178.583 1 . 1 . . . . 11 K C . 16233 1 126 . 1 1 11 11 LYS CA C 13 57.466 1 . 1 . . . . 11 K CA . 16233 1 127 . 1 1 11 11 LYS CB C 13 29.401 1 . 1 . . . . 11 K CB . 16233 1 128 . 1 1 11 11 LYS CD C 13 27.218 1 . 1 . . . . 11 K CD . 16233 1 129 . 1 1 11 11 LYS CE C 13 42.098 1 . 1 . . . . 11 K CE . 16233 1 130 . 1 1 11 11 LYS CG C 13 23.861 1 . 1 . . . . 11 K CG . 16233 1 131 . 1 1 11 11 LYS N N 15 123.554 0.5 . 1 . . . . 11 K N . 16233 1 132 . 1 1 12 12 CYS H H 1 8.405 0.04 . 1 . . . . 12 C HN . 16233 1 133 . 1 1 12 12 CYS HA H 1 4.571 0.04 . 1 . . . . 12 C HA . 16233 1 134 . 1 1 12 12 CYS HB2 H 1 3.303 0.04 . 2 . . . . 12 C HB1 . 16233 1 135 . 1 1 12 12 CYS HB3 H 1 2.761 0.04 . 2 . . . . 12 C HB2 . 16233 1 136 . 1 1 12 12 CYS C C 13 176.629 1 . 1 . . . . 12 C C . 16233 1 137 . 1 1 12 12 CYS CA C 13 58.014 1 . 1 . . . . 12 C CA . 16233 1 138 . 1 1 12 12 CYS CB C 13 35.689 1 . 1 . . . . 12 C CB . 16233 1 139 . 1 1 12 12 CYS N N 15 115.828 0.5 . 1 . . . . 12 C N . 16233 1 140 . 1 1 13 13 ALA H H 1 8.440 0.04 . 1 . . . . 13 A HN . 16233 1 141 . 1 1 13 13 ALA HA H 1 4.122 0.04 . 1 . . . . 13 A HA . 16233 1 142 . 1 1 13 13 ALA HB1 H 1 1.593 0.04 . 1 . . . . 13 A HB1 . 16233 1 143 . 1 1 13 13 ALA HB2 H 1 1.593 0.04 . 1 . . . . 13 A HB1 . 16233 1 144 . 1 1 13 13 ALA HB3 H 1 1.593 0.04 . 1 . . . . 13 A HB1 . 16233 1 145 . 1 1 13 13 ALA C C 13 180.722 1 . 1 . . . . 13 A C . 16233 1 146 . 1 1 13 13 ALA CA C 13 55.247 1 . 1 . . . . 13 A CA . 16233 1 147 . 1 1 13 13 ALA CB C 13 17.313 1 . 1 . . . . 13 A CB . 16233 1 148 . 1 1 13 13 ALA N N 15 124.333 0.5 . 1 . . . . 13 A N . 16233 1 149 . 1 1 14 14 GLN H H 1 7.617 0.04 . 1 . . . . 14 Q HN . 16233 1 150 . 1 1 14 14 GLN HA H 1 4.081 0.04 . 1 . . . . 14 Q HA . 16233 1 151 . 1 1 14 14 GLN HB2 H 1 2.137 0.04 . 2 . . . . 14 Q HB1 . 16233 1 152 . 1 1 14 14 GLN HB3 H 1 2.137 0.04 . 2 . . . . 14 Q HB2 . 16233 1 153 . 1 1 14 14 GLN HG2 H 1 2.474 0.04 . 2 . . . . 14 Q HG1 . 16233 1 154 . 1 1 14 14 GLN HG3 H 1 2.258 0.04 . 2 . . . . 14 Q HG2 . 16233 1 155 . 1 1 14 14 GLN C C 13 178.893 1 . 1 . . . . 14 Q C . 16233 1 156 . 1 1 14 14 GLN CA C 13 59.154 1 . 1 . . . . 14 Q CA . 16233 1 157 . 1 1 14 14 GLN CB C 13 27.539 1 . 1 . . . . 14 Q CB . 16233 1 158 . 1 1 14 14 GLN CG C 13 33.1537 1 . 1 . . . . 14 Q CG . 16233 1 159 . 1 1 14 14 GLN N N 15 121.040 0.5 . 1 . . . . 14 Q N . 16233 1 160 . 1 1 15 15 PHE H H 1 7.820 0.04 . 1 . . . . 15 F HN . 16233 1 161 . 1 1 15 15 PHE HA H 1 4.752 0.04 . 1 . . . . 15 F HA . 16233 1 162 . 1 1 15 15 PHE HB2 H 1 3.227 0.04 . 2 . . . . 15 F HB1 . 16233 1 163 . 1 1 15 15 PHE HB3 H 1 3.227 0.04 . 2 . . . . 15 F HB2 . 16233 1 164 . 1 1 15 15 PHE HD1 H 1 7.172 0.04 . 3 . . . . 15 F HD1 . 16233 1 165 . 1 1 15 15 PHE HD2 H 1 7.065 0.04 . 3 . . . . 15 F HD2 . 16233 1 166 . 1 1 15 15 PHE HE1 H 1 7.365 0.04 . 3 . . . . 15 F HE1 . 16233 1 167 . 1 1 15 15 PHE HE2 H 1 7.365 0.04 . 3 . . . . 15 F HE2 . 16233 1 168 . 1 1 15 15 PHE HZ H 1 7.348 0.04 . 1 . . . . 15 F HZ . 16233 1 169 . 1 1 15 15 PHE C C 13 180.164 1 . 1 . . . . 15 F C . 16233 1 170 . 1 1 15 15 PHE CA C 13 57.990 1 . 1 . . . . 15 F CA . 16233 1 171 . 1 1 15 15 PHE CB C 13 37.269 1 . 1 . . . . 15 F CB . 16233 1 172 . 1 1 15 15 PHE CD1 C 13 130.106 1 . 3 . . . . 15 F CD1 . 16233 1 173 . 1 1 15 15 PHE CD2 C 13 130.106 1 . 3 . . . . 15 F CD2 . 16233 1 174 . 1 1 15 15 PHE CE1 C 13 130.106 1 . 3 . . . . 15 F CE1 . 16233 1 175 . 1 1 15 15 PHE CE2 C 13 130.106 1 . 3 . . . . 15 F CE2 . 16233 1 176 . 1 1 15 15 PHE CZ C 13 129.559 1 . 1 . . . . 15 F CZ . 16233 1 177 . 1 1 15 15 PHE N N 15 119.668 0.5 . 1 . . . . 15 F N . 16233 1 178 . 1 1 16 16 GLY H H 1 9.454 0.04 . 1 . . . . 16 G HN . 16233 1 179 . 1 1 16 16 GLY HA2 H 1 4.096 0.04 . 2 . . . . 16 G HA1 . 16233 1 180 . 1 1 16 16 GLY HA3 H 1 3.537 0.04 . 2 . . . . 16 G HA2 . 16233 1 181 . 1 1 16 16 GLY C C 13 174.676 1 . 1 . . . . 16 G C . 16233 1 182 . 1 1 16 16 GLY CA C 13 47.369 1 . 1 . . . . 16 G CA . 16233 1 183 . 1 1 16 16 GLY N N 15 110.161 0.5 . 1 . . . . 16 G N . 16233 1 184 . 1 1 17 17 LYS H H 1 8.055 0.04 . 1 . . . . 17 K HN . 16233 1 185 . 1 1 17 17 LYS HA H 1 4.117 0.04 . 1 . . . . 17 K HA . 16233 1 186 . 1 1 17 17 LYS HB2 H 1 2.013 0.04 . 2 . . . . 17 K HB1 . 16233 1 187 . 1 1 17 17 LYS HB3 H 1 2.013 0.04 . 2 . . . . 17 K HB2 . 16233 1 188 . 1 1 17 17 LYS HD2 H 1 1.749 0.04 . 2 . . . . 17 K HD1 . 16233 1 189 . 1 1 17 17 LYS HD3 H 1 1.749 0.04 . 2 . . . . 17 K HD2 . 16233 1 190 . 1 1 17 17 LYS HE2 H 1 3.019 0.04 . 2 . . . . 17 K HE1 . 16233 1 191 . 1 1 17 17 LYS HE3 H 1 3.019 0.04 . 2 . . . . 17 K HE2 . 16233 1 192 . 1 1 17 17 LYS HG2 H 1 1.626 0.04 . 2 . . . . 17 K HG1 . 16233 1 193 . 1 1 17 17 LYS HG3 H 1 1.471 0.04 . 2 . . . . 17 K HG2 . 16233 1 194 . 1 1 17 17 LYS C C 13 179.110 1 . 1 . . . . 17 K C . 16233 1 195 . 1 1 17 17 LYS CA C 13 59.602 1 . 1 . . . . 17 K CA . 16233 1 196 . 1 1 17 17 LYS CB C 13 32.107 1 . 1 . . . . 17 K CB . 16233 1 197 . 1 1 17 17 LYS CD C 13 29.420 1 . 1 . . . . 17 K CD . 16233 1 198 . 1 1 17 17 LYS CE C 13 42.123 1 . 1 . . . . 17 K CE . 16233 1 199 . 1 1 17 17 LYS CG C 13 25.124 1 . 1 . . . . 17 K CG . 16233 1 200 . 1 1 17 17 LYS N N 15 123.977 0.5 . 1 . . . . 17 K N . 16233 1 201 . 1 1 18 18 GLU H H 1 8.010 0.04 . 1 . . . . 18 E HN . 16233 1 202 . 1 1 18 18 GLU HA H 1 4.058 0.04 . 1 . . . . 18 E HA . 16233 1 203 . 1 1 18 18 GLU HB2 H 1 2.278 0.04 . 2 . . . . 18 E HB1 . 16233 1 204 . 1 1 18 18 GLU HB3 H 1 2.141 0.04 . 2 . . . . 18 E HB2 . 16233 1 205 . 1 1 18 18 GLU HG2 H 1 2.552 0.04 . 2 . . . . 18 E HG1 . 16233 1 206 . 1 1 18 18 GLU HG3 H 1 2.552 0.04 . 2 . . . . 18 E HG2 . 16233 1 207 . 1 1 18 18 GLU C C 13 180.118 1 . 1 . . . . 18 E C . 16233 1 208 . 1 1 18 18 GLU CA C 13 59.471 1 . 1 . . . . 18 E CA . 16233 1 209 . 1 1 18 18 GLU CB C 13 29.151 1 . 1 . . . . 18 E CB . 16233 1 210 . 1 1 18 18 GLU CG C 13 36.280 1 . 1 . . . . 18 E CG . 16233 1 211 . 1 1 18 18 GLU N N 15 119.562 0.5 . 1 . . . . 18 E N . 16233 1 212 . 1 1 19 19 SER H H 1 8.231 0.04 . 1 . . . . 19 S HN . 16233 1 213 . 1 1 19 19 SER HA H 1 4.114 0.04 . 1 . . . . 19 S HA . 16233 1 214 . 1 1 19 19 SER HB2 H 1 3.575 0.04 . 2 . . . . 19 S HB1 . 16233 1 215 . 1 1 19 19 SER HB3 H 1 3.514 0.04 . 2 . . . . 19 S HB2 . 16233 1 216 . 1 1 19 19 SER C C 13 176.505 1 . 1 . . . . 19 S C . 16233 1 217 . 1 1 19 19 SER CA C 13 63.542 1 . 1 . . . . 19 S CA . 16233 1 218 . 1 1 19 19 SER CB C 13 62.302 1 . 1 . . . . 19 S CB . 16233 1 219 . 1 1 19 19 SER N N 15 117.630 0.5 . 1 . . . . 19 S N . 16233 1 220 . 1 1 20 20 CYS H H 1 8.687 0.04 . 1 . . . . 20 C HN . 16233 1 221 . 1 1 20 20 CYS HA H 1 4.456 0.04 . 1 . . . . 20 C HA . 16233 1 222 . 1 1 20 20 CYS HB2 H 1 3.373 0.04 . 2 . . . . 20 C HB1 . 16233 1 223 . 1 1 20 20 CYS HB3 H 1 2.765 0.04 . 2 . . . . 20 C HB2 . 16233 1 224 . 1 1 20 20 CYS C C 13 178.118 1 . 1 . . . . 20 C C . 16233 1 225 . 1 1 20 20 CYS CA C 13 59.831 1 . 1 . . . . 20 C CA . 16233 1 226 . 1 1 20 20 CYS CB C 13 40.076 1 . 1 . . . . 20 C CB . 16233 1 227 . 1 1 20 20 CYS N N 15 123.173 0.5 . 1 . . . . 20 C N . 16233 1 228 . 1 1 21 21 ASN H H 1 8.479 0.04 . 1 . . . . 21 N HN . 16233 1 229 . 1 1 21 21 ASN HA H 1 4.517 0.04 . 1 . . . . 21 N HA . 16233 1 230 . 1 1 21 21 ASN HB2 H 1 2.930 0.04 . 2 . . . . 21 N HB1 . 16233 1 231 . 1 1 21 21 ASN HB3 H 1 2.930 0.04 . 2 . . . . 21 N HB2 . 16233 1 232 . 1 1 21 21 ASN HD21 H 1 7.605 0.04 . 2 . . . . 21 N HD21 . 16233 1 233 . 1 1 21 21 ASN HD22 H 1 6.817 0.04 . 2 . . . . 21 N HD22 . 16233 1 234 . 1 1 21 21 ASN C C 13 176.474 1 . 1 . . . . 21 N C . 16233 1 235 . 1 1 21 21 ASN CA C 13 55.482 1 . 1 . . . . 21 N CA . 16233 1 236 . 1 1 21 21 ASN CB C 13 37.749 1 . 1 . . . . 21 N CB . 16233 1 237 . 1 1 21 21 ASN N N 15 119.436 0.5 . 1 . . . . 21 N N . 16233 1 238 . 1 1 21 21 ASN ND2 N 15 110.8824 0.5 . 1 . . . . 21 N ND2 . 16233 1 239 . 1 1 22 22 SER H H 1 7.840 0.04 . 1 . . . . 22 S HN . 16233 1 240 . 1 1 22 22 SER HA H 1 4.606 0.04 . 1 . . . . 22 S HA . 16233 1 241 . 1 1 22 22 SER HB2 H 1 4.106 0.04 . 2 . . . . 22 S HB1 . 16233 1 242 . 1 1 22 22 SER HB3 H 1 4.106 0.04 . 2 . . . . 22 S HB2 . 16233 1 243 . 1 1 22 22 SER C C 13 173.885 1 . 1 . . . . 22 S C . 16233 1 244 . 1 1 22 22 SER CA C 13 59.022 1 . 1 . . . . 22 S CA . 16233 1 245 . 1 1 22 22 SER CB C 13 63.632 1 . 1 . . . . 22 S CB . 16233 1 246 . 1 1 22 22 SER N N 15 114.796 0.5 . 1 . . . . 22 S N . 16233 1 247 . 1 1 23 23 GLY H H 1 7.871 0.04 . 1 . . . . 23 G HN . 16233 1 248 . 1 1 23 23 GLY HA2 H 1 4.533 0.04 . 2 . . . . 23 G HA1 . 16233 1 249 . 1 1 23 23 GLY HA3 H 1 3.808 0.04 . 2 . . . . 23 G HA2 . 16233 1 250 . 1 1 23 23 GLY C C 13 174.366 1 . 1 . . . . 23 G C . 16233 1 251 . 1 1 23 23 GLY CA C 13 45.359 1 . 1 . . . . 23 G CA . 16233 1 252 . 1 1 23 23 GLY N N 15 107.524 0.5 . 1 . . . . 23 G N . 16233 1 253 . 1 1 24 24 LEU H H 1 7.860 0.04 . 1 . . . . 24 L HN . 16233 1 254 . 1 1 24 24 LEU HA H 1 4.808 0.04 . 1 . . . . 24 L HA . 16233 1 255 . 1 1 24 24 LEU HB2 H 1 1.835 0.04 . 2 . . . . 24 L HB1 . 16233 1 256 . 1 1 24 24 LEU HB3 H 1 1.619 0.04 . 2 . . . . 24 L HB2 . 16233 1 257 . 1 1 24 24 LEU HD11 H 1 0.938 0.04 . 2 . . . . 24 L HD11 . 16233 1 258 . 1 1 24 24 LEU HD12 H 1 0.938 0.04 . 2 . . . . 24 L HD11 . 16233 1 259 . 1 1 24 24 LEU HD13 H 1 0.938 0.04 . 2 . . . . 24 L HD11 . 16233 1 260 . 1 1 24 24 LEU HD21 H 1 0.917 0.04 . 2 . . . . 24 L HD21 . 16233 1 261 . 1 1 24 24 LEU HD22 H 1 0.917 0.04 . 2 . . . . 24 L HD21 . 16233 1 262 . 1 1 24 24 LEU HD23 H 1 0.917 0.04 . 2 . . . . 24 L HD21 . 16233 1 263 . 1 1 24 24 LEU HG H 1 1.654 0.04 . 1 . . . . 24 L HG . 16233 1 264 . 1 1 24 24 LEU C C 13 175.885 1 . 1 . . . . 24 L C . 16233 1 265 . 1 1 24 24 LEU CA C 13 53.960 1 . 1 . . . . 24 L CA . 16233 1 266 . 1 1 24 24 LEU CB C 13 39.440 1 . 1 . . . . 24 L CB . 16233 1 267 . 1 1 24 24 LEU CD1 C 13 26.016 1 . 1 . . . . 24 L CD1 . 16233 1 268 . 1 1 24 24 LEU CD2 C 13 23.867 1 . 1 . . . . 24 L CD2 . 16233 1 269 . 1 1 24 24 LEU CG C 13 26.554 1 . 1 . . . . 24 L CG . 16233 1 270 . 1 1 24 24 LEU N N 15 122.760 0.5 . 1 . . . . 24 L N . 16233 1 271 . 1 1 25 25 ALA H H 1 7.740 0.04 . 1 . . . . 25 A HN . 16233 1 272 . 1 1 25 25 ALA HA H 1 4.404 0.04 . 1 . . . . 25 A HA . 16233 1 273 . 1 1 25 25 ALA HB1 H 1 1.479 0.04 . 1 . . . . 25 A HB1 . 16233 1 274 . 1 1 25 25 ALA HB2 H 1 1.479 0.04 . 1 . . . . 25 A HB1 . 16233 1 275 . 1 1 25 25 ALA HB3 H 1 1.479 0.04 . 1 . . . . 25 A HB1 . 16233 1 276 . 1 1 25 25 ALA C C 13 180.335 1 . 1 . . . . 25 A C . 16233 1 277 . 1 1 25 25 ALA CA C 13 55.214 1 . 1 . . . . 25 A CA . 16233 1 278 . 1 1 25 25 ALA CB C 13 18.841 1 . 1 . . . . 25 A CB . 16233 1 279 . 1 1 25 25 ALA N N 15 125.816 0.5 . 1 . . . . 25 A N . 16233 1 280 . 1 1 26 26 SER H H 1 8.553 0.04 . 1 . . . . 26 S HN . 16233 1 281 . 1 1 26 26 SER HA H 1 4.088 0.04 . 1 . . . . 26 S HA . 16233 1 282 . 1 1 26 26 SER HB2 H 1 3.629 0.04 . 2 . . . . 26 S HB1 . 16233 1 283 . 1 1 26 26 SER HB3 H 1 3.454 0.04 . 2 . . . . 26 S HB2 . 16233 1 284 . 1 1 26 26 SER C C 13 177.436 1 . 1 . . . . 26 S C . 16233 1 285 . 1 1 26 26 SER CA C 13 60.973 1 . 1 . . . . 26 S CA . 16233 1 286 . 1 1 26 26 SER CB C 13 62.540 1 . 1 . . . . 26 S CB . 16233 1 287 . 1 1 26 26 SER N N 15 113.395 0.5 . 1 . . . . 26 S N . 16233 1 288 . 1 1 27 27 TYR H H 1 7.515 0.04 . 1 . . . . 27 Y HN . 16233 1 289 . 1 1 27 27 TYR HA H 1 4.110 0.04 . 1 . . . . 27 Y HA . 16233 1 290 . 1 1 27 27 TYR HB2 H 1 3.377 0.04 . 2 . . . . 27 Y HB1 . 16233 1 291 . 1 1 27 27 TYR HB3 H 1 2.601 0.04 . 2 . . . . 27 Y HB2 . 16233 1 292 . 1 1 27 27 TYR HD1 H 1 7.084 0.04 . 3 . . . . 27 Y HD1 . 16233 1 293 . 1 1 27 27 TYR HD2 H 1 7.084 0.04 . 3 . . . . 27 Y HD2 . 16233 1 294 . 1 1 27 27 TYR HE1 H 1 6.642 0.04 . 3 . . . . 27 Y HE1 . 16233 1 295 . 1 1 27 27 TYR HE2 H 1 6.642 0.04 . 3 . . . . 27 Y HE2 . 16233 1 296 . 1 1 27 27 TYR C C 13 177.436 1 . 1 . . . . 27 Y C . 16233 1 297 . 1 1 27 27 TYR CA C 13 60.003 1 . 1 . . . . 27 Y CA . 16233 1 298 . 1 1 27 27 TYR CB C 13 39.707 1 . 1 . . . . 27 Y CB . 16233 1 299 . 1 1 27 27 TYR CD1 C 13 132.293 1 . 3 . . . . 27 Y CD1 . 16233 1 300 . 1 1 27 27 TYR CD2 C 13 132.293 1 . 3 . . . . 27 Y CD2 . 16233 1 301 . 1 1 27 27 TYR CE1 C 13 117.53 1 . 3 . . . . 27 Y CE1 . 16233 1 302 . 1 1 27 27 TYR CE2 C 13 117.53 1 . 3 . . . . 27 Y CE2 . 16233 1 303 . 1 1 27 27 TYR N N 15 114.48495 0.5 . 1 . . . . 27 Y N . 16233 1 304 . 1 1 28 28 CYS H H 1 7.90934 0.04 . 1 . . . . 28 C HN . 16233 1 305 . 1 1 28 28 CYS C C 13 175.342 1 . 1 . . . . 28 C C . 16233 1 306 . 1 1 28 28 CYS CA C 13 54.972 1 . 1 . . . . 28 C CA . 16233 1 307 . 1 1 28 28 CYS CB C 13 39.739 1 . 1 . . . . 28 C CB . 16233 1 308 . 1 1 28 28 CYS N N 15 120.08489 0.5 . 1 . . . . 28 C N . 16233 1 309 . 1 1 29 29 GLY HA2 H 1 4.022 0.04 . 2 . . . . 29 G HA1 . 16233 1 310 . 1 1 29 29 GLY HA3 H 1 3.847 0.04 . 2 . . . . 29 G HA2 . 16233 1 311 . 1 1 29 29 GLY C C 13 173.063 1 . 1 . . . . 29 G C . 16233 1 312 . 1 1 29 29 GLY CA C 13 46.303 1 . 1 . . . . 29 G CA . 16233 1 313 . 1 1 30 30 ALA H H 1 6.941 0.04 . 1 . . . . 30 A HN . 16233 1 314 . 1 1 30 30 ALA HA H 1 4.517 0.04 . 1 . . . . 30 A HA . 16233 1 315 . 1 1 30 30 ALA HB1 H 1 1.392 0.04 . 1 . . . . 30 A HB1 . 16233 1 316 . 1 1 30 30 ALA HB2 H 1 1.392 0.04 . 1 . . . . 30 A HB1 . 16233 1 317 . 1 1 30 30 ALA HB3 H 1 1.392 0.04 . 1 . . . . 30 A HB1 . 16233 1 318 . 1 1 30 30 ALA C C 13 177.280 1 . 1 . . . . 30 A C . 16233 1 319 . 1 1 30 30 ALA CA C 13 51.471 1 . 1 . . . . 30 A CA . 16233 1 320 . 1 1 30 30 ALA CB C 13 20.369 1 . 1 . . . . 30 A CB . 16233 1 321 . 1 1 30 30 ALA N N 15 121.667 0.5 . 1 . . . . 30 A N . 16233 1 322 . 1 1 31 31 ALA H H 1 8.722 0.04 . 1 . . . . 31 A HN . 16233 1 323 . 1 1 31 31 ALA HA H 1 4.348 0.04 . 1 . . . . 31 A HA . 16233 1 324 . 1 1 31 31 ALA HB1 H 1 1.416 0.04 . 1 . . . . 31 A HB1 . 16233 1 325 . 1 1 31 31 ALA HB2 H 1 1.416 0.04 . 1 . . . . 31 A HB1 . 16233 1 326 . 1 1 31 31 ALA HB3 H 1 1.416 0.04 . 1 . . . . 31 A HB1 . 16233 1 327 . 1 1 31 31 ALA C C 13 175.622 1 . 1 . . . . 31 A C . 16233 1 328 . 1 1 31 31 ALA CA C 13 52.541 1 . 1 . . . . 31 A CA . 16233 1 329 . 1 1 31 31 ALA CB C 13 18.941 1 . 1 . . . . 31 A CB . 16233 1 330 . 1 1 31 31 ALA N N 15 127.583 0.5 . 1 . . . . 31 A N . 16233 1 331 . 1 1 32 32 ILE H H 1 7.712 0.04 . 1 . . . . 32 I HN . 16233 1 332 . 1 1 32 32 ILE HA H 1 5.162 0.04 . 1 . . . . 32 I HA . 16233 1 333 . 1 1 32 32 ILE HB H 1 1.581 0.04 . 1 . . . . 32 I HB . 16233 1 334 . 1 1 32 32 ILE HD11 H 1 1.041 0.04 . 1 . . . . 32 I HD11 . 16233 1 335 . 1 1 32 32 ILE HD12 H 1 1.041 0.04 . 1 . . . . 32 I HD11 . 16233 1 336 . 1 1 32 32 ILE HD13 H 1 1.041 0.04 . 1 . . . . 32 I HD11 . 16233 1 337 . 1 1 32 32 ILE HG12 H 1 0.982 0.04 . 1 . . . . 32 I HG11 . 16233 1 338 . 1 1 32 32 ILE HG13 H 1 0.982 0.04 . 1 . . . . 32 I HG12 . 16233 1 339 . 1 1 32 32 ILE HG21 H 1 0.835 0.04 . 1 . . . . 32 I HG21 . 16233 1 340 . 1 1 32 32 ILE HG22 H 1 0.835 0.04 . 1 . . . . 32 I HG21 . 16233 1 341 . 1 1 32 32 ILE HG23 H 1 0.835 0.04 . 1 . . . . 32 I HG21 . 16233 1 342 . 1 1 32 32 ILE C C 13 171.947 1 . 1 . . . . 32 I C . 16233 1 343 . 1 1 32 32 ILE CA C 13 59.423 1 . 1 . . . . 32 I CA . 16233 1 344 . 1 1 32 32 ILE CB C 13 42.138 1 . 1 . . . . 32 I CB . 16233 1 345 . 1 1 32 32 ILE CD1 C 13 14.1886 1 . 1 . . . . 32 I CD1 . 16233 1 346 . 1 1 32 32 ILE CG1 C 13 28.614 1 . 1 . . . . 32 I CG1 . 16233 1 347 . 1 1 32 32 ILE CG2 C 13 15.717 1 . 1 . . . . 32 I CG2 . 16233 1 348 . 1 1 32 32 ILE N N 15 121.886 0.5 . 1 . . . . 32 I N . 16233 1 349 . 1 1 33 33 TYR H H 1 8.710 0.04 . 1 . . . . 33 Y HN . 16233 1 350 . 1 1 33 33 TYR HA H 1 4.752 0.04 . 1 . . . . 33 Y HA . 16233 1 351 . 1 1 33 33 TYR HB2 H 1 3.213 0.04 . 2 . . . . 33 Y HB1 . 16233 1 352 . 1 1 33 33 TYR HB3 H 1 2.517 0.04 . 2 . . . . 33 Y HB2 . 16233 1 353 . 1 1 33 33 TYR HD1 H 1 7.234 0.04 . 3 . . . . 33 Y HD1 . 16233 1 354 . 1 1 33 33 TYR HD2 H 1 7.234 0.04 . 3 . . . . 33 Y HD2 . 16233 1 355 . 1 1 33 33 TYR HE1 H 1 6.773 0.04 . 3 . . . . 33 Y HE1 . 16233 1 356 . 1 1 33 33 TYR HE2 H 1 6.773 0.04 . 3 . . . . 33 Y HE2 . 16233 1 357 . 1 1 33 33 TYR C C 13 174.722 1 . 1 . . . . 33 Y C . 16233 1 358 . 1 1 33 33 TYR CA C 13 57.018 1 . 1 . . . . 33 Y CA . 16233 1 359 . 1 1 33 33 TYR CB C 13 42.841 1 . 1 . . . . 33 Y CB . 16233 1 360 . 1 1 33 33 TYR CD1 C 13 132.293 1 . 3 . . . . 33 Y CD1 . 16233 1 361 . 1 1 33 33 TYR CD2 C 13 132.293 1 . 3 . . . . 33 Y CD2 . 16233 1 362 . 1 1 33 33 TYR CE1 C 13 117.53 1 . 3 . . . . 33 Y CE1 . 16233 1 363 . 1 1 33 33 TYR CE2 C 13 117.53 1 . 3 . . . . 33 Y CE2 . 16233 1 364 . 1 1 33 33 TYR N N 15 122.365 0.5 . 1 . . . . 33 Y N . 16233 1 365 . 1 1 34 34 ALA H H 1 9.848 0.04 . 1 . . . . 34 A HN . 16233 1 366 . 1 1 34 34 ALA HA H 1 5.887 0.04 . 1 . . . . 34 A HA . 16233 1 367 . 1 1 34 34 ALA HB1 H 1 1.593 0.04 . 1 . . . . 34 A HB1 . 16233 1 368 . 1 1 34 34 ALA HB2 H 1 1.593 0.04 . 1 . . . . 34 A HB1 . 16233 1 369 . 1 1 34 34 ALA HB3 H 1 1.593 0.04 . 1 . . . . 34 A HB1 . 16233 1 370 . 1 1 34 34 ALA C C 13 179.451 1 . 1 . . . . 34 A C . 16233 1 371 . 1 1 34 34 ALA CA C 13 51.347 1 . 1 . . . . 34 A CA . 16233 1 372 . 1 1 34 34 ALA CB C 13 21.799 1 . 1 . . . . 34 A CB . 16233 1 373 . 1 1 34 34 ALA N N 15 126.770 0.5 . 1 . . . . 34 A N . 16233 1 374 . 1 1 35 35 ARG H H 1 9.797 0.04 . 1 . . . . 35 R HN . 16233 1 375 . 1 1 35 35 ARG HA H 1 5.367 0.04 . 1 . . . . 35 R HA . 16233 1 376 . 1 1 35 35 ARG HB2 H 1 2.186 0.04 . 2 . . . . 35 R HB1 . 16233 1 377 . 1 1 35 35 ARG HB3 H 1 1.430 0.04 . 2 . . . . 35 R HB2 . 16233 1 378 . 1 1 35 35 ARG HD2 H 1 2.837 0.04 . 2 . . . . 35 R HD1 . 16233 1 379 . 1 1 35 35 ARG HD3 H 1 2.837 0.04 . 2 . . . . 35 R HD2 . 16233 1 380 . 1 1 35 35 ARG HE H 1 6.770 0.04 . 1 . . . . 35 R HE . 16233 1 381 . 1 1 35 35 ARG HG2 H 1 1.398 0.04 . 2 . . . . 35 R HG1 . 16233 1 382 . 1 1 35 35 ARG HG3 H 1 1.213 0.04 . 2 . . . . 35 R HG2 . 16233 1 383 . 1 1 35 35 ARG HH11 H 1 7.320 0.04 . 1 . . . . 35 R HH11 . 16233 1 384 . 1 1 35 35 ARG HH21 H 1 8.430 0.04 . 1 . . . . 35 R HH21 . 16233 1 385 . 1 1 35 35 ARG C C 13 174.071 1 . 1 . . . . 35 R C . 16233 1 386 . 1 1 35 35 ARG CA C 13 53.884 1 . 1 . . . . 35 R CA . 16233 1 387 . 1 1 35 35 ARG CB C 13 35.827 1 . 1 . . . . 35 R CB . 16233 1 388 . 1 1 35 35 ARG CD C 13 43.7143 1 . 1 . . . . 35 R CD . 16233 1 389 . 1 1 35 35 ARG CG C 13 27.8578 1 . 1 . . . . 35 R CG . 16233 1 390 . 1 1 35 35 ARG N N 15 122.565 0.5 . 1 . . . . 35 R N . 16233 1 391 . 1 1 35 35 ARG NE N 15 116.335 0.5 . 1 . . . . 35 R NE . 16233 1 392 . 1 1 35 35 ARG NH1 N 15 105.0 0.5 . 2 . . . . 35 R NH1 . 16233 1 393 . 1 1 35 35 ARG NH2 N 15 105.0 0.5 . 2 . . . . 35 R NH2 . 16233 1 394 . 1 1 36 36 TYR H H 1 8.513 0.04 . 1 . . . . 36 Y HN . 16233 1 395 . 1 1 36 36 TYR HA H 1 4.165 0.04 . 1 . . . . 36 Y HA . 16233 1 396 . 1 1 36 36 TYR HB2 H 1 2.196 0.04 . 2 . . . . 36 Y HB1 . 16233 1 397 . 1 1 36 36 TYR HB3 H 1 2.196 0.04 . 2 . . . . 36 Y HB2 . 16233 1 398 . 1 1 36 36 TYR HD1 H 1 6.114 0.04 . 3 . . . . 36 Y HD1 . 16233 1 399 . 1 1 36 36 TYR HD2 H 1 6.103 0.04 . 3 . . . . 36 Y HD2 . 16233 1 400 . 1 1 36 36 TYR HE1 H 1 6.563 0.04 . 3 . . . . 36 Y HE1 . 16233 1 401 . 1 1 36 36 TYR HE2 H 1 6.563 0.04 . 3 . . . . 36 Y HE2 . 16233 1 402 . 1 1 36 36 TYR C C 13 172.738 1 . 1 . . . . 36 Y C . 16233 1 403 . 1 1 36 36 TYR CA C 13 55.227 1 . 1 . . . . 36 Y CA . 16233 1 404 . 1 1 36 36 TYR CB C 13 36.573 1 . 1 . . . . 36 Y CB . 16233 1 405 . 1 1 36 36 TYR CD1 C 13 133.386 1 . 3 . . . . 36 Y CD1 . 16233 1 406 . 1 1 36 36 TYR CD2 C 13 133.386 1 . 3 . . . . 36 Y CD2 . 16233 1 407 . 1 1 36 36 TYR CE1 C 13 118.076 1 . 3 . . . . 36 Y CE1 . 16233 1 408 . 1 1 36 36 TYR CE2 C 13 118.076 1 . 3 . . . . 36 Y CE2 . 16233 1 409 . 1 1 36 36 TYR N N 15 126.270 0.5 . 1 . . . . 36 Y N . 16233 1 410 . 1 1 37 37 ASP H H 1 7.92047 0.04 . 1 . . . . 37 D HN . 16233 1 411 . 1 1 37 37 ASP HA H 1 4.387 0.04 . 1 . . . . 37 D HA . 16233 1 412 . 1 1 37 37 ASP HB2 H 1 3.053 0.04 . 2 . . . . 37 D HB1 . 16233 1 413 . 1 1 37 37 ASP HB3 H 1 2.110 0.04 . 2 . . . . 37 D HB2 . 16233 1 414 . 1 1 37 37 ASP C C 13 176.815 1 . 1 . . . . 37 D C . 16233 1 415 . 1 1 37 37 ASP CA C 13 53.138 1 . 1 . . . . 37 D CA . 16233 1 416 . 1 1 37 37 ASP CB C 13 44.557 1 . 1 . . . . 37 D CB . 16233 1 417 . 1 1 37 37 ASP N N 15 123.75211 0.5 . 1 . . . . 37 D N . 16233 1 418 . 1 1 38 38 LYS H H 1 10.618 0.04 . 1 . . . . 38 K HN . 16233 1 419 . 1 1 38 38 LYS HA H 1 4.147 0.04 . 1 . . . . 38 K HA . 16233 1 420 . 1 1 38 38 LYS HB2 H 1 1.916 0.04 . 2 . . . . 38 K HB1 . 16233 1 421 . 1 1 38 38 LYS HB3 H 1 1.586 0.04 . 2 . . . . 38 K HB2 . 16233 1 422 . 1 1 38 38 LYS HD2 H 1 1.565 0.04 . 2 . . . . 38 K HD1 . 16233 1 423 . 1 1 38 38 LYS HD3 H 1 1.565 0.04 . 2 . . . . 38 K HD2 . 16233 1 424 . 1 1 38 38 LYS HE2 H 1 2.860 0.04 . 2 . . . . 38 K HE1 . 16233 1 425 . 1 1 38 38 LYS HG2 H 1 1.1084 0.04 . 2 . . . . 38 K HG1 . 16233 1 426 . 1 1 38 38 LYS HG3 H 1 1.1084 0.04 . 2 . . . . 38 K HG2 . 16233 1 427 . 1 1 38 38 LYS C C 13 176.226 1 . 1 . . . . 38 K C . 16233 1 428 . 1 1 38 38 LYS CA C 13 56.701 1 . 1 . . . . 38 K CA . 16233 1 429 . 1 1 38 38 LYS CB C 13 34.334 1 . 1 . . . . 38 K CB . 16233 1 430 . 1 1 38 38 LYS CD C 13 29.577 1 . 1 . . . . 38 K CD . 16233 1 431 . 1 1 38 38 LYS CE C 13 41.916 1 . 1 . . . . 38 K CE . 16233 1 432 . 1 1 38 38 LYS CG C 13 25.776 1 . 1 . . . . 38 K CG . 16233 1 433 . 1 1 38 38 LYS N N 15 124.32874 0.5 . 1 . . . . 38 K N . 16233 1 434 . 1 1 39 39 GLY H H 1 8.556 0.04 . 1 . . . . 39 G HN . 16233 1 435 . 1 1 39 39 GLY CA C 13 44.408 1 . 1 . . . . 39 G CA . 16233 1 436 . 1 1 39 39 GLY N N 15 109.728 0.5 . 1 . . . . 39 G N . 16233 1 437 . 1 1 40 40 ASN H H 1 8.696 0.04 . 1 . . . . 40 N HN . 16233 1 438 . 1 1 40 40 ASN C C 13 175.777 1 . 1 . . . . 40 N C . 16233 1 439 . 1 1 40 40 ASN CA C 13 54.551 1 . 1 . . . . 40 N CA . 16233 1 440 . 1 1 40 40 ASN CB C 13 41.194 1 . 1 . . . . 40 N CB . 16233 1 441 . 1 1 40 40 ASN N N 15 124.769 0.5 . 1 . . . . 40 N N . 16233 1 442 . 1 1 42 42 SER HA H 1 4.625 0.04 . 1 . . . . 42 S HA . 16233 1 443 . 1 1 42 42 SER HB2 H 1 4.058 0.04 . 2 . . . . 42 S HB1 . 16233 1 444 . 1 1 42 42 SER HB3 H 1 3.992 0.04 . 2 . . . . 42 S HB2 . 16233 1 445 . 1 1 42 42 SER CA C 13 63.601 1 . 1 . . . . 42 S CA . 16233 1 446 . 1 1 42 42 SER CB C 13 59.167 1 . 1 . . . . 42 S CB . 16233 1 447 . 1 1 43 43 GLN H H 1 7.948 0.04 . 1 . . . . 43 Q HN . 16233 1 448 . 1 1 43 43 GLN HA H 1 4.682 0.04 . 1 . . . . 43 Q HA . 16233 1 449 . 1 1 43 43 GLN HB2 H 1 2.131 0.04 . 2 . . . . 43 Q HB1 . 16233 1 450 . 1 1 43 43 GLN HB3 H 1 2.054 0.04 . 2 . . . . 43 Q HB2 . 16233 1 451 . 1 1 43 43 GLN C C 13 175.404 1 . 1 . . . . 43 Q C . 16233 1 452 . 1 1 43 43 GLN CA C 13 54.630 1 . 1 . . . . 43 Q CA . 16233 1 453 . 1 1 43 43 GLN CB C 13 27.987 1 . 1 . . . . 43 Q CB . 16233 1 454 . 1 1 43 43 GLN CG C 13 36.131 1 . 1 . . . . 43 Q CG . 16233 1 455 . 1 1 43 43 GLN N N 15 124.392 0.5 . 1 . . . . 43 Q N . 16233 1 456 . 1 1 44 44 GLN H H 1 8.220 0.04 . 1 . . . . 44 Q HN . 16233 1 457 . 1 1 44 44 GLN HA H 1 4.187 0.04 . 1 . . . . 44 Q HA . 16233 1 458 . 1 1 44 44 GLN HB2 H 1 2.283 0.04 . 2 . . . . 44 Q HB1 . 16233 1 459 . 1 1 44 44 GLN HB3 H 1 1.909 0.04 . 2 . . . . 44 Q HB2 . 16233 1 460 . 1 1 44 44 GLN HE21 H 1 7.242 0.04 . 2 . . . . 44 Q HE21 . 16233 1 461 . 1 1 44 44 GLN HE22 H 1 7.007 0.04 . 2 . . . . 44 Q HE22 . 16233 1 462 . 1 1 44 44 GLN HG2 H 1 2.383 0.04 . 2 . . . . 44 Q HG1 . 16233 1 463 . 1 1 44 44 GLN HG3 H 1 2.263 0.04 . 2 . . . . 44 Q HG2 . 16233 1 464 . 1 1 44 44 GLN C C 13 175.839 1 . 1 . . . . 44 Q C . 16233 1 465 . 1 1 44 44 GLN CA C 13 55.930 1 . 1 . . . . 44 Q CA . 16233 1 466 . 1 1 44 44 GLN CB C 13 28.614 1 . 1 . . . . 44 Q CB . 16233 1 467 . 1 1 44 44 GLN CG C 13 34.386 1 . 1 . . . . 44 Q CG . 16233 1 468 . 1 1 44 44 GLN N N 15 118.577 0.5 . 1 . . . . 44 Q N . 16233 1 469 . 1 1 44 44 GLN NE2 N 15 114.1636 0.5 . 1 . . . . 44 Q NE2 . 16233 1 470 . 1 1 45 45 THR H H 1 7.468 0.04 . 1 . . . . 45 T HN . 16233 1 471 . 1 1 45 45 THR HA H 1 4.230 0.04 . 1 . . . . 45 T HA . 16233 1 472 . 1 1 45 45 THR HB H 1 4.114 0.04 . 1 . . . . 45 T HB . 16233 1 473 . 1 1 45 45 THR HG21 H 1 1.148 0.04 . 1 . . . . 45 T HG21 . 16233 1 474 . 1 1 45 45 THR HG22 H 1 1.148 0.04 . 1 . . . . 45 T HG21 . 16233 1 475 . 1 1 45 45 THR HG23 H 1 1.148 0.04 . 1 . . . . 45 T HG21 . 16233 1 476 . 1 1 45 45 THR C C 13 173.435 1 . 1 . . . . 45 T C . 16233 1 477 . 1 1 45 45 THR CA C 13 60.749 1 . 1 . . . . 45 T CA . 16233 1 478 . 1 1 45 45 THR CB C 13 69.812 1 . 1 . . . . 45 T CB . 16233 1 479 . 1 1 45 45 THR CG2 C 13 21.944 1 . 1 . . . . 45 T CG2 . 16233 1 480 . 1 1 45 45 THR N N 15 111.792 0.5 . 1 . . . . 45 T N . 16233 1 481 . 1 1 46 46 LYS H H 1 8.153 0.04 . 1 . . . . 46 K HN . 16233 1 482 . 1 1 46 46 LYS HA H 1 3.541 0.04 . 1 . . . . 46 K HA . 16233 1 483 . 1 1 46 46 LYS HB2 H 1 1.070 0.04 . 2 . . . . 46 K HB1 . 16233 1 484 . 1 1 46 46 LYS HB3 H 1 1.056 0.04 . 2 . . . . 46 K HB2 . 16233 1 485 . 1 1 46 46 LYS HD2 H 1 1.439 0.04 . 2 . . . . 46 K HD1 . 16233 1 486 . 1 1 46 46 LYS HD3 H 1 1.439 0.04 . 2 . . . . 46 K HD2 . 16233 1 487 . 1 1 46 46 LYS HE2 H 1 2.889 0.04 . 2 . . . . 46 K HE1 . 16233 1 488 . 1 1 46 46 LYS HE3 H 1 2.809 0.04 . 2 . . . . 46 K HE2 . 16233 1 489 . 1 1 46 46 LYS HG2 H 1 0.592 0.04 . 2 . . . . 46 K HG1 . 16233 1 490 . 1 1 46 46 LYS HG3 H 1 0.592 0.04 . 2 . . . . 46 K HG2 . 16233 1 491 . 1 1 46 46 LYS C C 13 174.319 1 . 1 . . . . 46 K C . 16233 1 492 . 1 1 46 46 LYS CA C 13 57.093 1 . 1 . . . . 46 K CA . 16233 1 493 . 1 1 46 46 LYS CB C 13 33.044 1 . 1 . . . . 46 K CB . 16233 1 494 . 1 1 46 46 LYS CD C 13 29.898 1 . 1 . . . . 46 K CD . 16233 1 495 . 1 1 46 46 LYS CE C 13 42.227 1 . 1 . . . . 46 K CE . 16233 1 496 . 1 1 46 46 LYS CG C 13 27.181 1 . 1 . . . . 46 K CG . 16233 1 497 . 1 1 46 46 LYS N N 15 122.363 0.5 . 1 . . . . 46 K N . 16233 1 498 . 1 1 47 47 GLU H H 1 7.521 0.04 . 1 . . . . 47 E HN . 16233 1 499 . 1 1 47 47 GLU HA H 1 4.396 0.04 . 1 . . . . 47 E HA . 16233 1 500 . 1 1 47 47 GLU HB2 H 1 1.923 0.04 . 2 . . . . 47 E HB1 . 16233 1 501 . 1 1 47 47 GLU HB3 H 1 1.383 0.04 . 2 . . . . 47 E HB2 . 16233 1 502 . 1 1 47 47 GLU HG2 H 1 2.124 0.04 . 2 . . . . 47 E HG1 . 16233 1 503 . 1 1 47 47 GLU HG3 H 1 2.026 0.04 . 2 . . . . 47 E HG2 . 16233 1 504 . 1 1 47 47 GLU C C 13 174.862 1 . 1 . . . . 47 E C . 16233 1 505 . 1 1 47 47 GLU CA C 13 54.407 1 . 1 . . . . 47 E CA . 16233 1 506 . 1 1 47 47 GLU CB C 13 35.152 1 . 1 . . . . 47 E CB . 16233 1 507 . 1 1 47 47 GLU CG C 13 37.033 1 . 1 . . . . 47 E CG . 16233 1 508 . 1 1 47 47 GLU N N 15 117.942 0.5 . 1 . . . . 47 E N . 16233 1 509 . 1 1 48 48 TRP H H 1 8.904 0.04 . 1 . . . . 48 W HN . 16233 1 510 . 1 1 48 48 TRP HA H 1 4.928 0.04 . 1 . . . . 48 W HA . 16233 1 511 . 1 1 48 48 TRP HB2 H 1 3.428 0.04 . 2 . . . . 48 W HB1 . 16233 1 512 . 1 1 48 48 TRP HB3 H 1 3.124 0.04 . 2 . . . . 48 W HB2 . 16233 1 513 . 1 1 48 48 TRP HD1 H 1 7.413 0.04 . 1 . . . . 48 W HD1 . 16233 1 514 . 1 1 48 48 TRP HE1 H 1 9.910 0.04 . 1 . . . . 48 W HE1 . 16233 1 515 . 1 1 48 48 TRP HE3 H 1 6.958 0.04 . 4 . . . . 48 W HE3 . 16233 1 516 . 1 1 48 48 TRP HH2 H 1 6.570 0.04 . 1 . . . . 48 W HH2 . 16233 1 517 . 1 1 48 48 TRP HZ2 H 1 6.105 0.04 . 4 . . . . 48 W HZ2 . 16233 1 518 . 1 1 48 48 TRP HZ3 H 1 7.413 0.04 . 4 . . . . 48 W HZ3 . 16233 1 519 . 1 1 48 48 TRP C C 13 175.947 1 . 1 . . . . 48 W C . 16233 1 520 . 1 1 48 48 TRP CA C 13 59.831 1 . 1 . . . . 48 W CA . 16233 1 521 . 1 1 48 48 TRP CB C 13 30.976 1 . 1 . . . . 48 W CB . 16233 1 522 . 1 1 48 48 TRP CD1 C 13 125.700 1 . 1 . . . . 48 W CD1 . 16233 1 523 . 1 1 48 48 TRP CE3 C 13 122.997 1 . 4 . . . . 48 W CE3 . 16233 1 524 . 1 1 48 48 TRP CH2 C 13 118.070 1 . 1 . . . . 48 W CH2 . 16233 1 525 . 1 1 48 48 TRP CZ2 C 13 133.930 1 . 4 . . . . 48 W CZ2 . 16233 1 526 . 1 1 48 48 TRP CZ3 C 13 119.717 1 . 4 . . . . 48 W CZ3 . 16233 1 527 . 1 1 48 48 TRP N N 15 121.440 0.5 . 1 . . . . 48 W N . 16233 1 528 . 1 1 48 48 TRP NE1 N 15 128.300 0.5 . 1 . . . . 48 W NE1 . 16233 1 529 . 1 1 49 49 ARG H H 1 9.161 0.04 . 1 . . . . 49 R HN . 16233 1 530 . 1 1 49 49 ARG HA H 1 5.054 0.04 . 1 . . . . 49 R HA . 16233 1 531 . 1 1 49 49 ARG HB2 H 1 1.394 0.04 . 2 . . . . 49 R HB1 . 16233 1 532 . 1 1 49 49 ARG HB3 H 1 1.148 0.04 . 2 . . . . 49 R HB2 . 16233 1 533 . 1 1 49 49 ARG HD2 H 1 2.393 0.04 . 2 . . . . 49 R HD1 . 16233 1 534 . 1 1 49 49 ARG HD3 H 1 2.686 0.04 . 2 . . . . 49 R HD2 . 16233 1 535 . 1 1 49 49 ARG HE H 1 6.543 0.04 . 1 . . . . 49 R HE . 16233 1 536 . 1 1 49 49 ARG HG2 H 1 1.36 0.04 . 2 . . . . 49 R HG1 . 16233 1 537 . 1 1 49 49 ARG HG3 H 1 1.870 0.04 . 2 . . . . 49 R HG2 . 16233 1 538 . 1 1 49 49 ARG C C 13 173.652 1 . 1 . . . . 49 R C . 16233 1 539 . 1 1 49 49 ARG CA C 13 52.765 1 . 1 . . . . 49 R CA . 16233 1 540 . 1 1 49 49 ARG CB C 13 33.808 1 . 1 . . . . 49 R CB . 16233 1 541 . 1 1 49 49 ARG CD C 13 43.549 1 . 1 . . . . 49 R CD . 16233 1 542 . 1 1 49 49 ARG CG C 13 28.4 1 . 1 . . . . 49 R CG . 16233 1 543 . 1 1 49 49 ARG N N 15 122.463 0.5 . 1 . . . . 49 R N . 16233 1 544 . 1 1 49 49 ARG NE N 15 118.617 0.5 . 1 . . . . 49 R NE . 16233 1 545 . 1 1 50 50 CYS H H 1 8.661 0.04 . 1 . . . . 50 C HN . 16233 1 546 . 1 1 50 50 CYS HA H 1 5.903 0.04 . 1 . . . . 50 C HA . 16233 1 547 . 1 1 50 50 CYS HB2 H 1 2.963 0.04 . 2 . . . . 50 C HB1 . 16233 1 548 . 1 1 50 50 CYS HB3 H 1 2.803 0.04 . 2 . . . . 50 C HB2 . 16233 1 549 . 1 1 50 50 CYS C C 13 174.304 1 . 1 . . . . 50 C C . 16233 1 550 . 1 1 50 50 CYS CA C 13 51.496 1 . 1 . . . . 50 C CA . 16233 1 551 . 1 1 50 50 CYS CB C 13 39.110 1 . 1 . . . . 50 C CB . 16233 1 552 . 1 1 50 50 CYS N N 15 115.885 0.5 . 1 . . . . 50 C N . 16233 1 553 . 1 1 51 51 TYR H H 1 10.004 0.04 . 1 . . . . 51 Y HN . 16233 1 554 . 1 1 51 51 TYR HA H 1 4.983 0.04 . 1 . . . . 51 Y HA . 16233 1 555 . 1 1 51 51 TYR HB2 H 1 2.923 0.04 . 2 . . . . 51 Y HB1 . 16233 1 556 . 1 1 51 51 TYR HB3 H 1 2.777 0.04 . 2 . . . . 51 Y HB2 . 16233 1 557 . 1 1 51 51 TYR HD1 H 1 7.145 0.04 . 3 . . . . 51 Y HD1 . 16233 1 558 . 1 1 51 51 TYR HD2 H 1 7.145 0.04 . 3 . . . . 51 Y HD2 . 16233 1 559 . 1 1 51 51 TYR HE1 H 1 4.983 0.04 . 3 . . . . 51 Y HE1 . 16233 1 560 . 1 1 51 51 TYR HE2 H 1 4.983 0.04 . 3 . . . . 51 Y HE2 . 16233 1 561 . 1 1 51 51 TYR C C 13 176.831 1 . 1 . . . . 51 Y C . 16233 1 562 . 1 1 51 51 TYR CA C 13 57.317 1 . 1 . . . . 51 Y CA . 16233 1 563 . 1 1 51 51 TYR CB C 13 42.020 1 . 1 . . . . 51 Y CB . 16233 1 564 . 1 1 51 51 TYR CD1 C 13 133.3 1 . 3 . . . . 51 Y CD1 . 16233 1 565 . 1 1 51 51 TYR CD2 C 13 133.3 1 . 3 . . . . 51 Y CD2 . 16233 1 566 . 1 1 51 51 TYR CE1 C 13 127.372 1 . 3 . . . . 51 Y CE1 . 16233 1 567 . 1 1 51 51 TYR CE2 C 13 127.372 1 . 3 . . . . 51 Y CE2 . 16233 1 568 . 1 1 51 51 TYR N N 15 122.278 0.5 . 1 . . . . 51 Y N . 16233 1 569 . 1 1 52 52 ILE H H 1 8.197 0.04 . 1 . . . . 52 I HN . 16233 1 570 . 1 1 52 52 ILE HA H 1 4.875 0.04 . 1 . . . . 52 I HA . 16233 1 571 . 1 1 52 52 ILE HB H 1 2.149 0.04 . 1 . . . . 52 I HB . 16233 1 572 . 1 1 52 52 ILE HD11 H 1 0.646 0.04 . 1 . . . . 52 I HD11 . 16233 1 573 . 1 1 52 52 ILE HD12 H 1 0.646 0.04 . 1 . . . . 52 I HD11 . 16233 1 574 . 1 1 52 52 ILE HD13 H 1 0.646 0.04 . 1 . . . . 52 I HD11 . 16233 1 575 . 1 1 52 52 ILE HG12 H 1 1.327 0.04 . 1 . . . . 52 I HG11 . 16233 1 576 . 1 1 52 52 ILE HG13 H 1 1.433 0.04 . 1 . . . . 52 I HG12 . 16233 1 577 . 1 1 52 52 ILE HG21 H 1 0.896 0.04 . 1 . . . . 52 I HG21 . 16233 1 578 . 1 1 52 52 ILE HG22 H 1 0.896 0.04 . 1 . . . . 52 I HG21 . 16233 1 579 . 1 1 52 52 ILE HG23 H 1 0.896 0.04 . 1 . . . . 52 I HG21 . 16233 1 580 . 1 1 52 52 ILE C C 13 177.529 1 . 1 . . . . 52 I C . 16233 1 581 . 1 1 52 52 ILE CA C 13 62.147 1 . 1 . . . . 52 I CA . 16233 1 582 . 1 1 52 52 ILE CB C 13 38.580 1 . 1 . . . . 52 I CB . 16233 1 583 . 1 1 52 52 ILE CD1 C 13 13.657 1 . 1 . . . . 52 I CD1 . 16233 1 584 . 1 1 52 52 ILE CG1 C 13 26.491 1 . 1 . . . . 52 I CG1 . 16233 1 585 . 1 1 52 52 ILE CG2 C 13 19.1487 1 . 1 . . . . 52 I CG2 . 16233 1 586 . 1 1 52 52 ILE N N 15 117.496 0.5 . 1 . . . . 52 I N . 16233 1 587 . 1 1 53 53 GLU H H 1 8.480 0.04 . 1 . . . . 53 E HN . 16233 1 588 . 1 1 53 53 GLU HA H 1 3.987 0.04 . 1 . . . . 53 E HA . 16233 1 589 . 1 1 53 53 GLU HB2 H 1 2.461 0.04 . 2 . . . . 53 E HB1 . 16233 1 590 . 1 1 53 53 GLU HB3 H 1 2.372 0.04 . 2 . . . . 53 E HB2 . 16233 1 591 . 1 1 53 53 GLU HG2 H 1 2.376 0.04 . 2 . . . . 53 E HG1 . 16233 1 592 . 1 1 53 53 GLU HG3 H 1 2.376 0.04 . 2 . . . . 53 E HG2 . 16233 1 593 . 1 1 53 53 GLU C C 13 177.591 1 . 1 . . . . 53 E C . 16233 1 594 . 1 1 53 53 GLU CA C 13 61.269 1 . 1 . . . . 53 E CA . 16233 1 595 . 1 1 53 53 GLU CB C 13 31.390 1 . 1 . . . . 53 E CB . 16233 1 596 . 1 1 53 53 GLU CG C 13 36.674 1 . 1 . . . . 53 E CG . 16233 1 597 . 1 1 53 53 GLU N N 15 123.597 0.5 . 1 . . . . 53 E N . 16233 1 598 . 1 1 54 54 LYS H H 1 7.963 0.04 . 1 . . . . 54 K HN . 16233 1 599 . 1 1 54 54 LYS HA H 1 4.364 0.04 . 1 . . . . 54 K HA . 16233 1 600 . 1 1 54 54 LYS HB2 H 1 2.012 0.04 . 2 . . . . 54 K HB1 . 16233 1 601 . 1 1 54 54 LYS HB3 H 1 2.012 0.04 . 2 . . . . 54 K HB2 . 16233 1 602 . 1 1 54 54 LYS HD2 H 1 1.563 0.04 . 2 . . . . 54 K HD1 . 16233 1 603 . 1 1 54 54 LYS HD3 H 1 1.563 0.04 . 2 . . . . 54 K HD2 . 16233 1 604 . 1 1 54 54 LYS HE2 H 1 2.885 0.04 . 2 . . . . 54 K HE1 . 16233 1 605 . 1 1 54 54 LYS HE3 H 1 2.814 0.04 . 2 . . . . 54 K HE2 . 16233 1 606 . 1 1 54 54 LYS HG2 H 1 1.562 0.04 . 2 . . . . 54 K HG1 . 16233 1 607 . 1 1 54 54 LYS HG3 H 1 1.562 0.04 . 2 . . . . 54 K HG2 . 16233 1 608 . 1 1 54 54 LYS C C 13 177.358 1 . 1 . . . . 54 K C . 16233 1 609 . 1 1 54 54 LYS CA C 13 58.137 1 . 1 . . . . 54 K CA . 16233 1 610 . 1 1 54 54 LYS CB C 13 32.245 1 . 1 . . . . 54 K CB . 16233 1 611 . 1 1 54 54 LYS CD C 13 29.509 1 . 1 . . . . 54 K CD . 16233 1 612 . 1 1 54 54 LYS CE C 13 41.958 1 . 1 . . . . 54 K CE . 16233 1 613 . 1 1 54 54 LYS CG C 13 24.57 1 . 1 . . . . 54 K CG . 16233 1 614 . 1 1 54 54 LYS N N 15 113.016 0.5 . 1 . . . . 54 K N . 16233 1 615 . 1 1 55 55 GLU H H 1 8.174 0.04 . 1 . . . . 55 E HN . 16233 1 616 . 1 1 55 55 GLU HA H 1 4.667 0.04 . 1 . . . . 55 E HA . 16233 1 617 . 1 1 55 55 GLU HB2 H 1 2.621 0.04 . 2 . . . . 55 E HB1 . 16233 1 618 . 1 1 55 55 GLU HB3 H 1 2.154 0.04 . 2 . . . . 55 E HB2 . 16233 1 619 . 1 1 55 55 GLU HG2 H 1 2.294 0.04 . 2 . . . . 55 E HG1 . 16233 1 620 . 1 1 55 55 GLU HG3 H 1 2.603 0.04 . 2 . . . . 55 E HG2 . 16233 1 621 . 1 1 55 55 GLU C C 13 175.699 1 . 1 . . . . 55 E C . 16233 1 622 . 1 1 55 55 GLU CA C 13 56.467 1 . 1 . . . . 55 E CA . 16233 1 623 . 1 1 55 55 GLU CB C 13 30.257 1 . 1 . . . . 55 E CB . 16233 1 624 . 1 1 55 55 GLU CG C 13 36.6068 1 . 1 . . . . 55 E CG . 16233 1 625 . 1 1 55 55 GLU N N 15 117.229 0.5 . 1 . . . . 55 E N . 16233 1 626 . 1 1 56 56 LEU H H 1 7.633 0.04 . 1 . . . . 56 L HN . 16233 1 627 . 1 1 56 56 LEU HA H 1 4.215 0.04 . 1 . . . . 56 L HA . 16233 1 628 . 1 1 56 56 LEU HB2 H 1 1.695 0.04 . 2 . . . . 56 L HB1 . 16233 1 629 . 1 1 56 56 LEU HB3 H 1 -0.060 0.04 . 2 . . . . 56 L HB2 . 16233 1 630 . 1 1 56 56 LEU HD11 H 1 0.471 0.04 . 2 . . . . 56 L HD11 . 16233 1 631 . 1 1 56 56 LEU HD12 H 1 0.471 0.04 . 2 . . . . 56 L HD11 . 16233 1 632 . 1 1 56 56 LEU HD13 H 1 0.471 0.04 . 2 . . . . 56 L HD11 . 16233 1 633 . 1 1 56 56 LEU HD21 H 1 -0.198 0.04 . 2 . . . . 56 L HD21 . 16233 1 634 . 1 1 56 56 LEU HD22 H 1 -0.198 0.04 . 2 . . . . 56 L HD21 . 16233 1 635 . 1 1 56 56 LEU HD23 H 1 -0.198 0.04 . 2 . . . . 56 L HD21 . 16233 1 636 . 1 1 56 56 LEU HG H 1 1.288 0.04 . 1 . . . . 56 L HG . 16233 1 637 . 1 1 56 56 LEU C C 13 174.521 1 . 1 . . . . 56 L C . 16233 1 638 . 1 1 56 56 LEU CA C 13 52.914 1 . 1 . . . . 56 L CA . 16233 1 639 . 1 1 56 56 LEU CB C 13 45.527 1 . 1 . . . . 56 L CB . 16233 1 640 . 1 1 56 56 LEU CD1 C 13 26.492 1 . 1 . . . . 56 L CD1 . 16233 1 641 . 1 1 56 56 LEU CD2 C 13 22.228 1 . 1 . . . . 56 L CD2 . 16233 1 642 . 1 1 56 56 LEU CG C 13 26.311 1 . 1 . . . . 56 L CG . 16233 1 643 . 1 1 56 56 LEU N N 15 117.813 0.5 . 1 . . . . 56 L N . 16233 1 644 . 1 1 57 57 ASP H H 1 8.593 0.04 . 1 . . . . 57 D HN . 16233 1 645 . 1 1 57 57 ASP HA H 1 4.904 0.04 . 1 . . . . 57 D HA . 16233 1 646 . 1 1 57 57 ASP HB2 H 1 3.019 0.04 . 2 . . . . 57 D HB1 . 16233 1 647 . 1 1 57 57 ASP HB3 H 1 2.536 0.04 . 2 . . . . 57 D HB2 . 16233 1 648 . 1 1 57 57 ASP C C 13 178.738 1 . 1 . . . . 57 D C . 16233 1 649 . 1 1 57 57 ASP CA C 13 52.011 1 . 1 . . . . 57 D CA . 16233 1 650 . 1 1 57 57 ASP CB C 13 40.684 1 . 1 . . . . 57 D CB . 16233 1 651 . 1 1 57 57 ASP N N 15 118.736 0.5 . 1 . . . . 57 D N . 16233 1 652 . 1 1 58 58 PHE H H 1 9.479 0.04 . 1 . . . . 58 F HN . 16233 1 653 . 1 1 58 58 PHE HA H 1 4.050 0.04 . 1 . . . . 58 F HA . 16233 1 654 . 1 1 58 58 PHE HB2 H 1 3.301 0.04 . 2 . . . . 58 F HB1 . 16233 1 655 . 1 1 58 58 PHE HB3 H 1 2.866 0.04 . 2 . . . . 58 F HB2 . 16233 1 656 . 1 1 58 58 PHE HD1 H 1 7.069 0.04 . 3 . . . . 58 F HD1 . 16233 1 657 . 1 1 58 58 PHE HD2 H 1 7.069 0.04 . 3 . . . . 58 F HD2 . 16233 1 658 . 1 1 58 58 PHE HE1 H 1 7.065 0.04 . 3 . . . . 58 F HE1 . 16233 1 659 . 1 1 58 58 PHE HE2 H 1 7.065 0.04 . 3 . . . . 58 F HE2 . 16233 1 660 . 1 1 58 58 PHE HZ H 1 7.065 0.04 . 1 . . . . 58 F HZ . 16233 1 661 . 1 1 58 58 PHE C C 13 175.342 1 . 1 . . . . 58 F C . 16233 1 662 . 1 1 58 58 PHE CA C 13 60.600 1 . 1 . . . . 58 F CA . 16233 1 663 . 1 1 58 58 PHE CB C 13 37.841 1 . 1 . . . . 58 F CB . 16233 1 664 . 1 1 58 58 PHE CD1 C 13 131.199 1 . 3 . . . . 58 F CD1 . 16233 1 665 . 1 1 58 58 PHE CD2 C 13 131.199 1 . 3 . . . . 58 F CD2 . 16233 1 666 . 1 1 58 58 PHE CE1 C 13 130.106 1 . 3 . . . . 58 F CE1 . 16233 1 667 . 1 1 58 58 PHE CE2 C 13 130.106 1 . 3 . . . . 58 F CE2 . 16233 1 668 . 1 1 58 58 PHE CZ C 13 128.465 1 . 1 . . . . 58 F CZ . 16233 1 669 . 1 1 58 58 PHE N N 15 125.310 0.5 . 1 . . . . 58 F N . 16233 1 670 . 1 1 59 59 SER H H 1 9.129 0.04 . 1 . . . . 59 S HN . 16233 1 671 . 1 1 59 59 SER HA H 1 4.582 0.04 . 1 . . . . 59 S HA . 16233 1 672 . 1 1 59 59 SER HB2 H 1 4.098 0.04 . 2 . . . . 59 S HB1 . 16233 1 673 . 1 1 59 59 SER HB3 H 1 3.921 0.04 . 2 . . . . 59 S HB2 . 16233 1 674 . 1 1 59 59 SER C C 13 173.342 1 . 1 . . . . 59 S C . 16233 1 675 . 1 1 59 59 SER CA C 13 59.382 1 . 1 . . . . 59 S CA . 16233 1 676 . 1 1 59 59 SER CB C 13 64.236 1 . 1 . . . . 59 S CB . 16233 1 677 . 1 1 59 59 SER N N 15 116.881 0.5 . 1 . . . . 59 S N . 16233 1 678 . 1 1 60 60 LYS H H 1 7.160 0.04 . 1 . . . . 60 K HN . 16233 1 679 . 1 1 60 60 LYS HA H 1 4.590 0.04 . 1 . . . . 60 K HA . 16233 1 680 . 1 1 60 60 LYS HB2 H 1 1.729 0.04 . 2 . . . . 60 K HB1 . 16233 1 681 . 1 1 60 60 LYS HB3 H 1 1.521 0.04 . 2 . . . . 60 K HB2 . 16233 1 682 . 1 1 60 60 LYS HD2 H 1 1.545 0.04 . 2 . . . . 60 K HD1 . 16233 1 683 . 1 1 60 60 LYS HD3 H 1 1.545 0.04 . 2 . . . . 60 K HD2 . 16233 1 684 . 1 1 60 60 LYS HE2 H 1 3.247 0.04 . 2 . . . . 60 K HE1 . 16233 1 685 . 1 1 60 60 LYS HE3 H 1 3.193 0.04 . 2 . . . . 60 K HE2 . 16233 1 686 . 1 1 60 60 LYS HG2 H 1 1.333 0.04 . 2 . . . . 60 K HG1 . 16233 1 687 . 1 1 60 60 LYS HG3 H 1 1.226 0.04 . 2 . . . . 60 K HG2 . 16233 1 688 . 1 1 60 60 LYS C C 13 175.001 1 . 1 . . . . 60 K C . 16233 1 689 . 1 1 60 60 LYS CA C 13 54.797 1 . 1 . . . . 60 K CA . 16233 1 690 . 1 1 60 60 LYS CB C 13 35.958 1 . 1 . . . . 60 K CB . 16233 1 691 . 1 1 60 60 LYS CD C 13 29.062 1 . 1 . . . . 60 K CD . 16233 1 692 . 1 1 60 60 LYS CE C 13 42.033 1 . 1 . . . . 60 K CE . 16233 1 693 . 1 1 60 60 LYS CG C 13 24.587 1 . 1 . . . . 60 K CG . 16233 1 694 . 1 1 60 60 LYS N N 15 122.463 0.5 . 1 . . . . 60 K N . 16233 1 695 . 1 1 61 61 SER H H 1 8.471 0.04 . 1 . . . . 61 S HN . 16233 1 696 . 1 1 61 61 SER HA H 1 4.997 0.04 . 1 . . . . 61 S HA . 16233 1 697 . 1 1 61 61 SER HB2 H 1 3.494 0.04 . 2 . . . . 61 S HB1 . 16233 1 698 . 1 1 61 61 SER HB3 H 1 3.494 0.04 . 2 . . . . 61 S HB2 . 16233 1 699 . 1 1 61 61 SER C C 13 173.404 1 . 1 . . . . 61 S C . 16233 1 700 . 1 1 61 61 SER CA C 13 57.093 1 . 1 . . . . 61 S CA . 16233 1 701 . 1 1 61 61 SER CB C 13 65.002 1 . 1 . . . . 61 S CB . 16233 1 702 . 1 1 61 61 SER N N 15 117.404 0.5 . 1 . . . . 61 S N . 16233 1 703 . 1 1 62 62 GLY H H 1 8.003 0.04 . 1 . . . . 62 G HN . 16233 1 704 . 1 1 62 62 GLY HA2 H 1 4.372 0.04 . 2 . . . . 62 G HA1 . 16233 1 705 . 1 1 62 62 GLY HA3 H 1 3.841 0.04 . 2 . . . . 62 G HA2 . 16233 1 706 . 1 1 62 62 GLY C C 13 173.559 1 . 1 . . . . 62 G C . 16233 1 707 . 1 1 62 62 GLY CA C 13 44.370 1 . 1 . . . . 62 G CA . 16233 1 708 . 1 1 62 62 GLY N N 15 110.046 0.5 . 1 . . . . 62 G N . 16233 1 709 . 1 1 63 63 ASP H H 1 8.696 0.04 . 1 . . . . 63 D HN . 16233 1 710 . 1 1 63 63 ASP HA H 1 5.129 0.04 . 1 . . . . 63 D HA . 16233 1 711 . 1 1 63 63 ASP HB2 H 1 2.555 0.04 . 2 . . . . 63 D HB1 . 16233 1 712 . 1 1 63 63 ASP HB3 H 1 2.458 0.04 . 2 . . . . 63 D HB2 . 16233 1 713 . 1 1 63 63 ASP C C 13 175.932 1 . 1 . . . . 63 D C . 16233 1 714 . 1 1 63 63 ASP CA C 13 53.718 1 . 1 . . . . 63 D CA . 16233 1 715 . 1 1 63 63 ASP CB C 13 38.737 1 . 1 . . . . 63 D CB . 16233 1 716 . 1 1 63 63 ASP N N 15 125.062 0.5 . 1 . . . . 63 D N . 16233 1 717 . 1 1 64 64 GLY H H 1 7.844 0.04 . 1 . . . . 64 G HN . 16233 1 718 . 1 1 64 64 GLY HA2 H 1 4.769 0.04 . 2 . . . . 64 G HA1 . 16233 1 719 . 1 1 64 64 GLY HA3 H 1 3.642 0.04 . 2 . . . . 64 G HA2 . 16233 1 720 . 1 1 64 64 GLY C C 13 173.094 1 . 1 . . . . 64 G C . 16233 1 721 . 1 1 64 64 GLY CA C 13 45.900 1 . 1 . . . . 64 G CA . 16233 1 722 . 1 1 64 64 GLY N N 15 105.119 0.5 . 1 . . . . 64 G N . 16233 1 723 . 1 1 65 65 CYS H H 1 7.525 0.04 . 1 . . . . 65 C HN . 16233 1 724 . 1 1 65 65 CYS HA H 1 5.669 0.04 . 1 . . . . 65 C HA . 16233 1 725 . 1 1 65 65 CYS HB2 H 1 3.493 0.04 . 2 . . . . 65 C HB1 . 16233 1 726 . 1 1 65 65 CYS HB3 H 1 2.444 0.04 . 2 . . . . 65 C HB2 . 16233 1 727 . 1 1 65 65 CYS C C 13 173.048 1 . 1 . . . . 65 C C . 16233 1 728 . 1 1 65 65 CYS CA C 13 57.184 1 . 1 . . . . 65 C CA . 16233 1 729 . 1 1 65 65 CYS CB C 13 46.795 1 . 1 . . . . 65 C CB . 16233 1 730 . 1 1 65 65 CYS N N 15 113.906 0.5 . 1 . . . . 65 C N . 16233 1 731 . 1 1 66 66 VAL H H 1 9.099 0.04 . 1 . . . . 66 V HN . 16233 1 732 . 1 1 66 66 VAL HA H 1 5.322 0.04 . 1 . . . . 66 V HA . 16233 1 733 . 1 1 66 66 VAL HB H 1 2.221 0.04 . 1 . . . . 66 V HB . 16233 1 734 . 1 1 66 66 VAL HG11 H 1 0.917 0.04 . 2 . . . . 66 V HG11 . 16233 1 735 . 1 1 66 66 VAL HG12 H 1 0.917 0.04 . 2 . . . . 66 V HG11 . 16233 1 736 . 1 1 66 66 VAL HG13 H 1 0.917 0.04 . 2 . . . . 66 V HG11 . 16233 1 737 . 1 1 66 66 VAL HG21 H 1 0.946 0.04 . 2 . . . . 66 V HG21 . 16233 1 738 . 1 1 66 66 VAL HG22 H 1 0.946 0.04 . 2 . . . . 66 V HG21 . 16233 1 739 . 1 1 66 66 VAL HG23 H 1 0.946 0.04 . 2 . . . . 66 V HG21 . 16233 1 740 . 1 1 66 66 VAL C C 13 176.769 1 . 1 . . . . 66 V C . 16233 1 741 . 1 1 66 66 VAL CA C 13 58.483 1 . 1 . . . . 66 V CA . 16233 1 742 . 1 1 66 66 VAL CB C 13 35.689 1 . 1 . . . . 66 V CB . 16233 1 743 . 1 1 66 66 VAL CG1 C 13 21.986 1 . 1 . . . . 66 V CG1 . 16233 1 744 . 1 1 66 66 VAL CG2 C 13 20.285 1 . 1 . . . . 66 V CG2 . 16233 1 745 . 1 1 66 66 VAL N N 15 114.173 0.5 . 1 . . . . 66 V N . 16233 1 746 . 1 1 67 67 ASP H H 1 9.140 0.04 . 1 . . . . 67 D HN . 16233 1 747 . 1 1 67 67 ASP HA H 1 4.657 0.04 . 1 . . . . 67 D HA . 16233 1 748 . 1 1 67 67 ASP HB2 H 1 3.385 0.04 . 2 . . . . 67 D HB1 . 16233 1 749 . 1 1 67 67 ASP HB3 H 1 2.507 0.04 . 2 . . . . 67 D HB2 . 16233 1 750 . 1 1 67 67 ASP C C 13 176.645 1 . 1 . . . . 67 D C . 16233 1 751 . 1 1 67 67 ASP CA C 13 52.093 1 . 1 . . . . 67 D CA . 16233 1 752 . 1 1 67 67 ASP CB C 13 40.826 1 . 1 . . . . 67 D CB . 16233 1 753 . 1 1 67 67 ASP N N 15 125.427 0.5 . 1 . . . . 67 D N . 16233 1 754 . 1 1 68 68 ASP H H 1 8.217 0.04 . 1 . . . . 68 D HN . 16233 1 755 . 1 1 68 68 ASP HA H 1 4.668 0.04 . 1 . . . . 68 D HA . 16233 1 756 . 1 1 68 68 ASP HB2 H 1 2.981 0.04 . 2 . . . . 68 D HB1 . 16233 1 757 . 1 1 68 68 ASP HB3 H 1 2.734 0.04 . 2 . . . . 68 D HB2 . 16233 1 758 . 1 1 68 68 ASP C C 13 174.955 1 . 1 . . . . 68 D C . 16233 1 759 . 1 1 68 68 ASP CA C 13 56.615 1 . 1 . . . . 68 D CA . 16233 1 760 . 1 1 68 68 ASP CB C 13 41.128 1 . 1 . . . . 68 D CB . 16233 1 761 . 1 1 68 68 ASP N N 15 116.174 0.5 . 1 . . . . 68 D N . 16233 1 762 . 1 1 69 69 CYS H H 1 8.111 0.04 . 1 . . . . 69 C HN . 16233 1 763 . 1 1 69 69 CYS HA H 1 4.847 0.04 . 1 . . . . 69 C HA . 16233 1 764 . 1 1 69 69 CYS HB2 H 1 3.540 0.04 . 2 . . . . 69 C HB1 . 16233 1 765 . 1 1 69 69 CYS HB3 H 1 3.067 0.04 . 2 . . . . 69 C HB2 . 16233 1 766 . 1 1 69 69 CYS C C 13 175.684 1 . 1 . . . . 69 C C . 16233 1 767 . 1 1 69 69 CYS CA C 13 55.124 1 . 1 . . . . 69 C CA . 16233 1 768 . 1 1 69 69 CYS CB C 13 46.168 1 . 1 . . . . 69 C CB . 16233 1 769 . 1 1 69 69 CYS N N 15 110.668 0.5 . 1 . . . . 69 C N . 16233 1 770 . 1 1 70 70 GLY H H 1 8.253 0.04 . 1 . . . . 70 G HN . 16233 1 771 . 1 1 70 70 GLY HA2 H 1 4.066 0.04 . 2 . . . . 70 G HA1 . 16233 1 772 . 1 1 70 70 GLY HA3 H 1 3.360 0.04 . 2 . . . . 70 G HA2 . 16233 1 773 . 1 1 70 70 GLY C C 13 173.342 1 . 1 . . . . 70 G C . 16233 1 774 . 1 1 70 70 GLY CA C 13 46.124 1 . 1 . . . . 70 G CA . 16233 1 775 . 1 1 70 70 GLY N N 15 108.495 0.5 . 1 . . . . 70 G N . 16233 1 776 . 1 1 71 71 SER H H 1 8.572 0.04 . 1 . . . . 71 S HN . 16233 1 777 . 1 1 71 71 SER HA H 1 4.672 0.04 . 1 . . . . 71 S HA . 16233 1 778 . 1 1 71 71 SER HB2 H 1 3.902 0.04 . 2 . . . . 71 S HB1 . 16233 1 779 . 1 1 71 71 SER C C 13 173.466 1 . 1 . . . . 71 S C . 16233 1 780 . 1 1 71 71 SER CA C 13 57.651 1 . 1 . . . . 71 S CA . 16233 1 781 . 1 1 71 71 SER CB C 13 63.808 1 . 1 . . . . 71 S CB . 16233 1 782 . 1 1 71 71 SER N N 15 119.068 0.5 . 1 . . . . 71 S N . 16233 1 783 . 1 1 72 72 MET H H 1 8.442 0.04 . 1 . . . . 72 M HN . 16233 1 784 . 1 1 72 72 MET HA H 1 5.132 0.04 . 1 . . . . 72 M HA . 16233 1 785 . 1 1 72 72 MET HB2 H 1 1.964 0.04 . 2 . . . . 72 M HB1 . 16233 1 786 . 1 1 72 72 MET HB3 H 1 1.923 0.04 . 2 . . . . 72 M HB2 . 16233 1 787 . 1 1 72 72 MET HG2 H 1 2.588 0.04 . 2 . . . . 72 M HG1 . 16233 1 788 . 1 1 72 72 MET HG3 H 1 2.505 0.04 . 2 . . . . 72 M HG2 . 16233 1 789 . 1 1 72 72 MET C C 13 177.404 1 . 1 . . . . 72 M C . 16233 1 790 . 1 1 72 72 MET CA C 13 55.067 1 . 1 . . . . 72 M CA . 16233 1 791 . 1 1 72 72 MET CB C 13 29.584 1 . 1 . . . . 72 M CB . 16233 1 792 . 1 1 72 72 MET CG C 13 31.838 1 . 1 . . . . 72 M CG . 16233 1 793 . 1 1 72 72 MET N N 15 122.197 0.5 . 1 . . . . 72 M N . 16233 1 794 . 1 1 73 73 THR H H 1 9.054 0.04 . 1 . . . . 73 T HN . 16233 1 795 . 1 1 73 73 THR HA H 1 4.630 0.04 . 1 . . . . 73 T HA . 16233 1 796 . 1 1 73 73 THR HB H 1 3.808 0.04 . 1 . . . . 73 T HB . 16233 1 797 . 1 1 73 73 THR HG21 H 1 0.882 0.04 . 1 . . . . 73 T HG21 . 16233 1 798 . 1 1 73 73 THR HG22 H 1 0.882 0.04 . 1 . . . . 73 T HG21 . 16233 1 799 . 1 1 73 73 THR HG23 H 1 0.882 0.04 . 1 . . . . 73 T HG21 . 16233 1 800 . 1 1 73 73 THR C C 13 171.141 1 . 1 . . . . 73 T C . 16233 1 801 . 1 1 73 73 THR CA C 13 60.077 1 . 1 . . . . 73 T CA . 16233 1 802 . 1 1 73 73 THR CB C 13 71.046 1 . 1 . . . . 73 T CB . 16233 1 803 . 1 1 73 73 THR CG2 C 13 19.658 1 . 1 . . . . 73 T CG2 . 16233 1 804 . 1 1 73 73 THR N N 15 119.263 0.5 . 1 . . . . 73 T N . 16233 1 805 . 1 1 74 74 SER H H 1 7.493 0.04 . 1 . . . . 74 S HN . 16233 1 806 . 1 1 74 74 SER HA H 1 4.976 0.04 . 1 . . . . 74 S HA . 16233 1 807 . 1 1 74 74 SER HB2 H 1 3.728 0.04 . 2 . . . . 74 S HB1 . 16233 1 808 . 1 1 74 74 SER HB3 H 1 3.745 0.04 . 2 . . . . 74 S HB2 . 16233 1 809 . 1 1 74 74 SER C C 13 175.544 1 . 1 . . . . 74 S C . 16233 1 810 . 1 1 74 74 SER CA C 13 57.453 1 . 1 . . . . 74 S CA . 16233 1 811 . 1 1 74 74 SER CB C 13 64.032 1 . 1 . . . . 74 S CB . 16233 1 812 . 1 1 74 74 SER N N 15 116.223 0.5 . 1 . . . . 74 S N . 16233 1 813 . 1 1 75 75 CYS H H 1 8.893 0.04 . 1 . . . . 75 C HN . 16233 1 814 . 1 1 75 75 CYS HA H 1 5.001 0.04 . 1 . . . . 75 C HA . 16233 1 815 . 1 1 75 75 CYS HB2 H 1 3.497 0.04 . 2 . . . . 75 C HB1 . 16233 1 816 . 1 1 75 75 CYS HB3 H 1 3.351 0.04 . 2 . . . . 75 C HB2 . 16233 1 817 . 1 1 75 75 CYS C C 13 173.590 1 . 1 . . . . 75 C C . 16233 1 818 . 1 1 75 75 CYS CA C 13 54.497 1 . 1 . . . . 75 C CA . 16233 1 819 . 1 1 75 75 CYS CB C 13 45.541 1 . 1 . . . . 75 C CB . 16233 1 820 . 1 1 75 75 CYS N N 15 118.941 0.5 . 1 . . . . 75 C N . 16233 1 821 . 1 1 76 76 ARG H H 1 8.753 0.04 . 1 . . . . 76 R HN . 16233 1 822 . 1 1 76 76 ARG HA H 1 4.469 0.04 . 1 . . . . 76 R HA . 16233 1 823 . 1 1 76 76 ARG HB2 H 1 1.949 0.04 . 2 . . . . 76 R HB1 . 16233 1 824 . 1 1 76 76 ARG HB3 H 1 1.859 0.04 . 2 . . . . 76 R HB2 . 16233 1 825 . 1 1 76 76 ARG HD2 H 1 3.263 0.04 . 2 . . . . 76 R HD1 . 16233 1 826 . 1 1 76 76 ARG HD3 H 1 3.191 0.04 . 2 . . . . 76 R HD2 . 16233 1 827 . 1 1 76 76 ARG HG2 H 1 1.736 0.04 . 2 . . . . 76 R HG1 . 16233 1 828 . 1 1 76 76 ARG HG3 H 1 1.736 0.04 . 2 . . . . 76 R HG2 . 16233 1 829 . 1 1 76 76 ARG C C 13 176.660 1 . 1 . . . . 76 R C . 16233 1 830 . 1 1 76 76 ARG CA C 13 56.378 1 . 1 . . . . 76 R CA . 16233 1 831 . 1 1 76 76 ARG CB C 13 31.301 1 . 1 . . . . 76 R CB . 16233 1 832 . 1 1 76 76 ARG CD C 13 43.277 1 . 1 . . . . 76 R CD . 16233 1 833 . 1 1 76 76 ARG CG C 13 27.5 1 . 1 . . . . 76 R CG . 16233 1 834 . 1 1 76 76 ARG N N 15 121.496 0.5 . 1 . . . . 76 R N . 16233 1 835 . 1 1 77 77 GLY H H 1 7.855 0.04 . 1 . . . . 77 G HN . 16233 1 836 . 1 1 77 77 GLY HA2 H 1 2.914 0.04 . 2 . . . . 77 G HA1 . 16233 1 837 . 1 1 77 77 GLY HA3 H 1 1.957 0.04 . 2 . . . . 77 G HA2 . 16233 1 838 . 1 1 77 77 GLY C C 13 171.776 1 . 1 . . . . 77 G C . 16233 1 839 . 1 1 77 77 GLY CA C 13 44.729 1 . 1 . . . . 77 G CA . 16233 1 840 . 1 1 77 77 GLY N N 15 110.292 0.5 . 1 . . . . 77 G N . 16233 1 841 . 1 1 78 78 SER H H 1 7.527 0.04 . 1 . . . . 78 S HN . 16233 1 842 . 1 1 78 78 SER HA H 1 4.380 0.04 . 1 . . . . 78 S HA . 16233 1 843 . 1 1 78 78 SER HB2 H 1 3.462 0.04 . 2 . . . . 78 S HB1 . 16233 1 844 . 1 1 78 78 SER HB3 H 1 3.317 0.04 . 2 . . . . 78 S HB2 . 16233 1 845 . 1 1 78 78 SER C C 13 173.125 1 . 1 . . . . 78 S C . 16233 1 846 . 1 1 78 78 SER CA C 13 55.426 1 . 1 . . . . 78 S CA . 16233 1 847 . 1 1 78 78 SER CB C 13 65.764 1 . 1 . . . . 78 S CB . 16233 1 848 . 1 1 78 78 SER N N 15 120.019 0.5 . 1 . . . . 78 S N . 16233 1 849 . 1 1 79 79 VAL H H 1 8.464 0.04 . 1 . . . . 79 V HN . 16233 1 850 . 1 1 79 79 VAL HA H 1 3.805 0.04 . 1 . . . . 79 V HA . 16233 1 851 . 1 1 79 79 VAL HB H 1 1.767 0.04 . 1 . . . . 79 V HB . 16233 1 852 . 1 1 79 79 VAL HG11 H 1 0.819 0.04 . 2 . . . . 79 V HG11 . 16233 1 853 . 1 1 79 79 VAL HG12 H 1 0.819 0.04 . 2 . . . . 79 V HG11 . 16233 1 854 . 1 1 79 79 VAL HG13 H 1 0.819 0.04 . 2 . . . . 79 V HG11 . 16233 1 855 . 1 1 79 79 VAL HG21 H 1 0.506 0.04 . 2 . . . . 79 V HG21 . 16233 1 856 . 1 1 79 79 VAL HG22 H 1 0.506 0.04 . 2 . . . . 79 V HG21 . 16233 1 857 . 1 1 79 79 VAL HG23 H 1 0.506 0.04 . 2 . . . . 79 V HG21 . 16233 1 858 . 1 1 79 79 VAL C C 13 176.769 1 . 1 . . . . 79 V C . 16233 1 859 . 1 1 79 79 VAL CA C 13 64.077 1 . 1 . . . . 79 V CA . 16233 1 860 . 1 1 79 79 VAL CB C 13 31.659 1 . 1 . . . . 79 V CB . 16233 1 861 . 1 1 79 79 VAL CG1 C 13 22.228 1 . 1 . . . . 79 V CG1 . 16233 1 862 . 1 1 79 79 VAL CG2 C 13 22.228 1 . 1 . . . . 79 V CG2 . 16233 1 863 . 1 1 79 79 VAL N N 15 125.853 0.5 . 1 . . . . 79 V N . 16233 1 864 . 1 1 80 80 SER H H 1 8.904 0.04 . 1 . . . . 80 S HN . 16233 1 865 . 1 1 80 80 SER HA H 1 4.533 0.04 . 1 . . . . 80 S HA . 16233 1 866 . 1 1 80 80 SER HB2 H 1 3.792 0.04 . 2 . . . . 80 S HB1 . 16233 1 867 . 1 1 80 80 SER HB3 H 1 3.792 0.04 . 2 . . . . 80 S HB2 . 16233 1 868 . 1 1 80 80 SER C C 13 174.056 1 . 1 . . . . 80 S C . 16233 1 869 . 1 1 80 80 SER CA C 13 57.764 1 . 1 . . . . 80 S CA . 16233 1 870 . 1 1 80 80 SER CB C 13 63.966 1 . 1 . . . . 80 S CB . 16233 1 871 . 1 1 80 80 SER N N 15 124.609 0.5 . 1 . . . . 80 S N . 16233 1 872 . 1 1 81 81 GLY H H 1 7.929 0.04 . 1 . . . . 81 G HN . 16233 1 873 . 1 1 81 81 GLY HA2 H 1 3.934 0.04 . 2 . . . . 81 G HA1 . 16233 1 874 . 1 1 81 81 GLY HA3 H 1 4.13 0.04 . 2 . . . . 81 G HA2 . 16233 1 875 . 1 1 81 81 GLY C C 13 170.474 1 . 1 . . . . 81 G C . 16233 1 876 . 1 1 81 81 GLY CA C 13 44.306 1 . 1 . . . . 81 G CA . 16233 1 877 . 1 1 81 81 GLY N N 15 111.855 0.5 . 1 . . . . 81 G N . 16233 1 878 . 1 1 82 82 PRO HA H 1 4.306 0.04 . 1 . . . . 82 P HA . 16233 1 879 . 1 1 82 82 PRO HB2 H 1 2.110 0.04 . 2 . . . . 82 P HB1 . 16233 1 880 . 1 1 82 82 PRO HB3 H 1 1.958 0.04 . 2 . . . . 82 P HB2 . 16233 1 881 . 1 1 82 82 PRO HD2 H 1 3.578 0.04 . 2 . . . . 82 P HD1 . 16233 1 882 . 1 1 82 82 PRO HD3 H 1 3.578 0.04 . 2 . . . . 82 P HD2 . 16233 1 883 . 1 1 82 82 PRO HG2 H 1 1.943 0.04 . 2 . . . . 82 P HG1 . 16233 1 884 . 1 1 82 82 PRO HG3 H 1 2.157 0.04 . 2 . . . . 82 P HG2 . 16233 1 885 . 1 1 82 82 PRO C C 13 176.6 1 . 1 . . . . 82 P C . 16233 1 886 . 1 1 82 82 PRO CA C 13 63.531 1 . 1 . . . . 82 P CA . 16233 1 887 . 1 1 82 82 PRO CB C 13 31.530 1 . 1 . . . . 82 P CB . 16233 1 888 . 1 1 82 82 PRO CD C 13 49.227 1 . 1 . . . . 82 P CD . 16233 1 889 . 1 1 82 82 PRO CG C 13 27.764 1 . 1 . . . . 82 P CG . 16233 1 890 . 1 1 83 83 SER H H 1 7.744 0.04 . 1 . . . . 83 S HN . 16233 1 891 . 1 1 83 83 SER HA H 1 4.826 0.04 . 1 . . . . 83 S HA . 16233 1 892 . 1 1 83 83 SER HB2 H 1 3.932 0.04 . 2 . . . . 83 S HB1 . 16233 1 893 . 1 1 83 83 SER HB3 H 1 3.416 0.04 . 2 . . . . 83 S HB2 . 16233 1 894 . 1 1 83 83 SER C C 13 174.939 1 . 1 . . . . 83 S C . 16233 1 895 . 1 1 83 83 SER CA C 13 57.258 1 . 1 . . . . 83 S CA . 16233 1 896 . 1 1 83 83 SER CB C 13 63.440 1 . 1 . . . . 83 S CB . 16233 1 897 . 1 1 83 83 SER N N 15 119.57 0.5 . 1 . . . . 83 S N . 16233 1 898 . 1 1 84 84 THR H H 1 8.752 0.04 . 1 . . . . 84 T HN . 16233 1 899 . 1 1 84 84 THR HA H 1 4.68 0.04 . 1 . . . . 84 T HA . 16233 1 900 . 1 1 84 84 THR HB H 1 4.30 0.04 . 1 . . . . 84 T HB . 16233 1 901 . 1 1 84 84 THR HG21 H 1 1.24 0.04 . 1 . . . . 84 T HG21 . 16233 1 902 . 1 1 84 84 THR HG22 H 1 1.24 0.04 . 1 . . . . 84 T HG21 . 16233 1 903 . 1 1 84 84 THR HG23 H 1 1.24 0.04 . 1 . . . . 84 T HG21 . 16233 1 904 . 1 1 84 84 THR C C 13 176.087 1 . 1 . . . . 84 T C . 16233 1 905 . 1 1 84 84 THR CA C 13 63.1 1 . 1 . . . . 84 T CA . 16233 1 906 . 1 1 84 84 THR CB C 13 70.7 1 . 1 . . . . 84 T CB . 16233 1 907 . 1 1 84 84 THR CG2 C 13 21.8 1 . 1 . . . . 84 T CG2 . 16233 1 908 . 1 1 84 84 THR N N 15 117.938 0.5 . 1 . . . . 84 T N . 16233 1 909 . 1 1 85 85 SER H H 1 9.457 0.04 . 1 . . . . 85 S HN . 16233 1 910 . 1 1 85 85 SER HA H 1 4.591 0.04 . 1 . . . . 85 S HA . 16233 1 911 . 1 1 85 85 SER HB2 H 1 3.793 0.04 . 2 . . . . 85 S HB1 . 16233 1 912 . 1 1 85 85 SER HB3 H 1 3.618 0.04 . 2 . . . . 85 S HB2 . 16233 1 913 . 1 1 85 85 SER C C 13 172.986 1 . 1 . . . . 85 S C . 16233 1 914 . 1 1 85 85 SER CA C 13 57.349 1 . 1 . . . . 85 S CA . 16233 1 915 . 1 1 85 85 SER CB C 13 63.360 1 . 1 . . . . 85 S CB . 16233 1 916 . 1 1 85 85 SER N N 15 122.338 0.5 . 1 . . . . 85 S N . 16233 1 917 . 1 1 86 86 HIS H H 1 7.286 0.04 . 1 . . . . 86 H HN . 16233 1 918 . 1 1 86 86 HIS HA H 1 5.314 0.04 . 1 . . . . 86 H HA . 16233 1 919 . 1 1 86 86 HIS HB2 H 1 2.809 0.04 . 2 . . . . 86 H HB1 . 16233 1 920 . 1 1 86 86 HIS HB3 H 1 1.971 0.04 . 2 . . . . 86 H HB2 . 16233 1 921 . 1 1 86 86 HIS HD2 H 1 6.634 0.04 . 1 . . . . 86 H HD2 . 16233 1 922 . 1 1 86 86 HIS HE1 H 1 7.75 0.04 . 1 . . . . 86 H HE1 . 16233 1 923 . 1 1 86 86 HIS C C 13 174.118 1 . 1 . . . . 86 H C . 16233 1 924 . 1 1 86 86 HIS CA C 13 54.528 1 . 1 . . . . 86 H CA . 16233 1 925 . 1 1 86 86 HIS CB C 13 32.571 1 . 1 . . . . 86 H CB . 16233 1 926 . 1 1 86 86 HIS CD2 C 13 118.623 1 . 1 . . . . 86 H CD2 . 16233 1 927 . 1 1 86 86 HIS CE1 C 13 138.854 1 . 1 . . . . 86 H CE1 . 16233 1 928 . 1 1 86 86 HIS N N 15 118.569 0.5 . 1 . . . . 86 H N . 16233 1 929 . 1 1 87 87 LEU H H 1 8.862 0.04 . 1 . . . . 87 L HN . 16233 1 930 . 1 1 87 87 LEU HA H 1 4.68 0.04 . 1 . . . . 87 L HA . 16233 1 931 . 1 1 87 87 LEU HB2 H 1 1.07 0.04 . 2 . . . . 87 L HB1 . 16233 1 932 . 1 1 87 87 LEU HB3 H 1 1.51 0.04 . 2 . . . . 87 L HB2 . 16233 1 933 . 1 1 87 87 LEU HD11 H 1 0.48 0.04 . 2 . . . . 87 L HD11 . 16233 1 934 . 1 1 87 87 LEU HD12 H 1 0.48 0.04 . 2 . . . . 87 L HD11 . 16233 1 935 . 1 1 87 87 LEU HD13 H 1 0.48 0.04 . 2 . . . . 87 L HD11 . 16233 1 936 . 1 1 87 87 LEU HD21 H 1 0.42 0.04 . 2 . . . . 87 L HD21 . 16233 1 937 . 1 1 87 87 LEU HD22 H 1 0.42 0.04 . 2 . . . . 87 L HD21 . 16233 1 938 . 1 1 87 87 LEU HD23 H 1 0.42 0.04 . 2 . . . . 87 L HD21 . 16233 1 939 . 1 1 87 87 LEU HG H 1 1.61 0.04 . 1 . . . . 87 L HG . 16233 1 940 . 1 1 87 87 LEU C C 13 176.846 1 . 1 . . . . 87 L C . 16233 1 941 . 1 1 87 87 LEU CA C 13 52.476 1 . 1 . . . . 87 L CA . 16233 1 942 . 1 1 87 87 LEU CB C 13 43.488 1 . 1 . . . . 87 L CB . 16233 1 943 . 1 1 87 87 LEU CD1 C 13 25.8 1 . 1 . . . . 87 L CD1 . 16233 1 944 . 1 1 87 87 LEU CD2 C 13 25.8 1 . 1 . . . . 87 L CD2 . 16233 1 945 . 1 1 87 87 LEU CG C 13 25.8 1 . 1 . . . . 87 L CG . 16233 1 946 . 1 1 87 87 LEU N N 15 118.875 0.5 . 1 . . . . 87 L N . 16233 1 947 . 1 1 88 88 THR H H 1 9.07 0.04 . 1 . . . . 88 T HN . 16233 1 948 . 1 1 88 88 THR HA H 1 4.197 0.04 . 1 . . . . 88 T HA . 16233 1 949 . 1 1 88 88 THR HB H 1 4.248 0.04 . 1 . . . . 88 T HB . 16233 1 950 . 1 1 88 88 THR HG21 H 1 1.215 0.04 . 1 . . . . 88 T HG21 . 16233 1 951 . 1 1 88 88 THR HG22 H 1 1.215 0.04 . 1 . . . . 88 T HG21 . 16233 1 952 . 1 1 88 88 THR HG23 H 1 1.215 0.04 . 1 . . . . 88 T HG21 . 16233 1 953 . 1 1 88 88 THR C C 13 175.094 1 . 1 . . . . 88 T C . 16233 1 954 . 1 1 88 88 THR CA C 13 64.145 1 . 1 . . . . 88 T CA . 16233 1 955 . 1 1 88 88 THR CB C 13 68.863 1 . 1 . . . . 88 T CB . 16233 1 956 . 1 1 88 88 THR CG2 C 13 23.0331 1 . 1 . . . . 88 T CG2 . 16233 1 957 . 1 1 88 88 THR N N 15 125.0 0.5 . 1 . . . . 88 T N . 16233 1 958 . 1 1 89 89 ARG H H 1 7.791 0.04 . 1 . . . . 89 R HN . 16233 1 959 . 1 1 89 89 ARG HA H 1 5.009 0.04 . 1 . . . . 89 R HA . 16233 1 960 . 1 1 89 89 ARG HB2 H 1 1.505 0.04 . 2 . . . . 89 R HB1 . 16233 1 961 . 1 1 89 89 ARG HB3 H 1 1.94 0.04 . 2 . . . . 89 R HB2 . 16233 1 962 . 1 1 89 89 ARG HD2 H 1 3.00 0.04 . 2 . . . . 89 R HD1 . 16233 1 963 . 1 1 89 89 ARG HD3 H 1 2.28 0.04 . 2 . . . . 89 R HD2 . 16233 1 964 . 1 1 89 89 ARG HG2 H 1 0.94 0.04 . 2 . . . . 89 R HG1 . 16233 1 965 . 1 1 89 89 ARG C C 13 171.947 1 . 1 . . . . 89 R C . 16233 1 966 . 1 1 89 89 ARG CA C 13 52.616 1 . 1 . . . . 89 R CA . 16233 1 967 . 1 1 89 89 ARG CB C 13 31.648 1 . 1 . . . . 89 R CB . 16233 1 968 . 1 1 89 89 ARG CD C 13 42.676 1 . 1 . . . . 89 R CD . 16233 1 969 . 1 1 89 89 ARG CG C 13 25.676 1 . 1 . . . . 89 R CG . 16233 1 970 . 1 1 89 89 ARG N N 15 130.078 0.5 . 1 . . . . 89 R N . 16233 1 971 . 1 1 90 90 PRO HA H 1 4.68 0.04 . 1 . . . . 90 P HA . 16233 1 972 . 1 1 90 90 PRO HB2 H 1 2.3 0.04 . 2 . . . . 90 P HB1 . 16233 1 973 . 1 1 90 90 PRO HB3 H 1 2.80 0.04 . 2 . . . . 90 P HB2 . 16233 1 974 . 1 1 90 90 PRO HD2 H 1 3.68 0.04 . 2 . . . . 90 P HD1 . 16233 1 975 . 1 1 90 90 PRO HD3 H 1 3.78 0.04 . 2 . . . . 90 P HD2 . 16233 1 976 . 1 1 90 90 PRO HG2 H 1 2.19 0.04 . 2 . . . . 90 P HG1 . 16233 1 977 . 1 1 90 90 PRO C C 13 179.854 1 . 1 . . . . 90 P C . 16233 1 978 . 1 1 90 90 PRO CA C 13 66.2 1 . 1 . . . . 90 P CA . 16233 1 979 . 1 1 90 90 PRO CB C 13 31.9 1 . 1 . . . . 90 P CB . 16233 1 980 . 1 1 90 90 PRO CD C 13 51.6 1 . 1 . . . . 90 P CD . 16233 1 981 . 1 1 90 90 PRO CG C 13 28.4 1 . 1 . . . . 90 P CG . 16233 1 982 . 1 1 91 91 SER H H 1 8.323 0.04 . 1 . . . . 91 S HN . 16233 1 983 . 1 1 91 91 SER HA H 1 3.897 0.04 . 1 . . . . 91 S HA . 16233 1 984 . 1 1 91 91 SER HB2 H 1 3.882 0.04 . 2 . . . . 91 S HB1 . 16233 1 985 . 1 1 91 91 SER HB3 H 1 3.882 0.04 . 2 . . . . 91 S HB2 . 16233 1 986 . 1 1 91 91 SER C C 13 177.761 1 . 1 . . . . 91 S C . 16233 1 987 . 1 1 91 91 SER CA C 13 61.595 1 . 1 . . . . 91 S CA . 16233 1 988 . 1 1 91 91 SER CB C 13 62.331 1 . 1 . . . . 91 S CB . 16233 1 989 . 1 1 91 91 SER N N 15 114.164 0.5 . 1 . . . . 91 S N . 16233 1 990 . 1 1 92 92 GLU H H 1 9.330 0.04 . 1 . . . . 92 E HN . 16233 1 991 . 1 1 92 92 GLU HA H 1 4.072 0.04 . 1 . . . . 92 E HA . 16233 1 992 . 1 1 92 92 GLU HB2 H 1 2.288 0.04 . 2 . . . . 92 E HB1 . 16233 1 993 . 1 1 92 92 GLU HB3 H 1 2.150 0.04 . 2 . . . . 92 E HB2 . 16233 1 994 . 1 1 92 92 GLU HG2 H 1 2.546 0.04 . 2 . . . . 92 E HG1 . 16233 1 995 . 1 1 92 92 GLU HG3 H 1 2.329 0.04 . 2 . . . . 92 E HG2 . 16233 1 996 . 1 1 92 92 GLU C C 13 179.467 1 . 1 . . . . 92 E C . 16233 1 997 . 1 1 92 92 GLU CA C 13 60.280 1 . 1 . . . . 92 E CA . 16233 1 998 . 1 1 92 92 GLU CB C 13 29.688 1 . 1 . . . . 92 E CB . 16233 1 999 . 1 1 92 92 GLU CG C 13 37.212 1 . 1 . . . . 92 E CG . 16233 1 1000 . 1 1 92 92 GLU N N 15 122.480 0.5 . 1 . . . . 92 E N . 16233 1 1001 . 1 1 93 93 LEU H H 1 7.977 0.04 . 1 . . . . 93 L HN . 16233 1 1002 . 1 1 93 93 LEU HA H 1 4.123 0.04 . 1 . . . . 93 L HA . 16233 1 1003 . 1 1 93 93 LEU HB2 H 1 1.845 0.04 . 2 . . . . 93 L HB1 . 16233 1 1004 . 1 1 93 93 LEU HB3 H 1 0.832 0.04 . 2 . . . . 93 L HB2 . 16233 1 1005 . 1 1 93 93 LEU HD11 H 1 0.864 0.04 . 2 . . . . 93 L HD11 . 16233 1 1006 . 1 1 93 93 LEU HD12 H 1 0.864 0.04 . 2 . . . . 93 L HD11 . 16233 1 1007 . 1 1 93 93 LEU HD13 H 1 0.864 0.04 . 2 . . . . 93 L HD11 . 16233 1 1008 . 1 1 93 93 LEU HD21 H 1 0.244 0.04 . 2 . . . . 93 L HD21 . 16233 1 1009 . 1 1 93 93 LEU HD22 H 1 0.244 0.04 . 2 . . . . 93 L HD21 . 16233 1 1010 . 1 1 93 93 LEU HD23 H 1 0.244 0.04 . 2 . . . . 93 L HD21 . 16233 1 1011 . 1 1 93 93 LEU HG H 1 1.051 0.04 . 1 . . . . 93 L HG . 16233 1 1012 . 1 1 93 93 LEU C C 13 178.474 1 . 1 . . . . 93 L C . 16233 1 1013 . 1 1 93 93 LEU CA C 13 57.794 1 . 1 . . . . 93 L CA . 16233 1 1014 . 1 1 93 93 LEU CB C 13 40.220 1 . 1 . . . . 93 L CB . 16233 1 1015 . 1 1 93 93 LEU CD1 C 13 23.135 1 . 1 . . . . 93 L CD1 . 16233 1 1016 . 1 1 93 93 LEU CD2 C 13 24.0308 1 . 1 . . . . 93 L CD2 . 16233 1 1017 . 1 1 93 93 LEU CG C 13 26.038 1 . 1 . . . . 93 L CG . 16233 1 1018 . 1 1 93 93 LEU N N 15 118.875 0.5 . 1 . . . . 93 L N . 16233 1 1019 . 1 1 94 94 GLN H H 1 8.312 0.04 . 1 . . . . 94 Q HN . 16233 1 1020 . 1 1 94 94 GLN HA H 1 3.615 0.04 . 1 . . . . 94 Q HA . 16233 1 1021 . 1 1 94 94 GLN HB2 H 1 2.423 0.04 . 2 . . . . 94 Q HB1 . 16233 1 1022 . 1 1 94 94 GLN HB3 H 1 2.092 0.04 . 2 . . . . 94 Q HB2 . 16233 1 1023 . 1 1 94 94 GLN HE21 H 1 7.844 0.04 . 2 . . . . 94 Q HE21 . 16233 1 1024 . 1 1 94 94 GLN HE22 H 1 6.842 0.04 . 2 . . . . 94 Q HE22 . 16233 1 1025 . 1 1 94 94 GLN C C 13 177.436 1 . 1 . . . . 94 Q C . 16233 1 1026 . 1 1 94 94 GLN CA C 13 58.169 1 . 1 . . . . 94 Q CA . 16233 1 1027 . 1 1 94 94 GLN CB C 13 28.435 1 . 1 . . . . 94 Q CB . 16233 1 1028 . 1 1 94 94 GLN CG C 13 33.675 1 . 1 . . . . 94 Q CG . 16233 1 1029 . 1 1 94 94 GLN N N 15 118.4 0.5 . 1 . . . . 94 Q N . 16233 1 1030 . 1 1 94 94 GLN NE2 N 15 115.1010 0.5 . 1 . . . . 94 Q NE2 . 16233 1 1031 . 1 1 95 95 ALA H H 1 7.604 0.04 . 1 . . . . 95 A HN . 16233 1 1032 . 1 1 95 95 ALA HA H 1 4.235 0.04 . 1 . . . . 95 A HA . 16233 1 1033 . 1 1 95 95 ALA HB1 H 1 1.537 0.04 . 1 . . . . 95 A HB1 . 16233 1 1034 . 1 1 95 95 ALA HB2 H 1 1.537 0.04 . 1 . . . . 95 A HB1 . 16233 1 1035 . 1 1 95 95 ALA HB3 H 1 1.537 0.04 . 1 . . . . 95 A HB1 . 16233 1 1036 . 1 1 95 95 ALA C C 13 180.660 1 . 1 . . . . 95 A C . 16233 1 1037 . 1 1 95 95 ALA CA C 13 55.067 1 . 1 . . . . 95 A CA . 16233 1 1038 . 1 1 95 95 ALA CB C 13 17.956 1 . 1 . . . . 95 A CB . 16233 1 1039 . 1 1 95 95 ALA N N 15 118.047 0.5 . 1 . . . . 95 A N . 16233 1 1040 . 1 1 96 96 VAL H H 1 7.128 0.04 . 1 . . . . 96 V HN . 16233 1 1041 . 1 1 96 96 VAL HA H 1 3.739 0.04 . 1 . . . . 96 V HA . 16233 1 1042 . 1 1 96 96 VAL HB H 1 2.124 0.04 . 1 . . . . 96 V HB . 16233 1 1043 . 1 1 96 96 VAL HG11 H 1 1.045 0.04 . 2 . . . . 96 V HG11 . 16233 1 1044 . 1 1 96 96 VAL HG12 H 1 1.045 0.04 . 2 . . . . 96 V HG11 . 16233 1 1045 . 1 1 96 96 VAL HG13 H 1 1.045 0.04 . 2 . . . . 96 V HG11 . 16233 1 1046 . 1 1 96 96 VAL HG21 H 1 0.752 0.04 . 2 . . . . 96 V HG21 . 16233 1 1047 . 1 1 96 96 VAL HG22 H 1 0.752 0.04 . 2 . . . . 96 V HG21 . 16233 1 1048 . 1 1 96 96 VAL HG23 H 1 0.752 0.04 . 2 . . . . 96 V HG21 . 16233 1 1049 . 1 1 96 96 VAL C C 13 177.467 1 . 1 . . . . 96 V C . 16233 1 1050 . 1 1 96 96 VAL CA C 13 66.123 1 . 1 . . . . 96 V CA . 16233 1 1051 . 1 1 96 96 VAL CB C 13 31.301 1 . 1 . . . . 96 V CB . 16233 1 1052 . 1 1 96 96 VAL CG1 C 13 22.137 1 . 1 . . . . 96 V CG1 . 16233 1 1053 . 1 1 96 96 VAL CG2 C 13 22.137 1 . 1 . . . . 96 V CG2 . 16233 1 1054 . 1 1 96 96 VAL N N 15 119.332 0.5 . 1 . . . . 96 V N . 16233 1 1055 . 1 1 97 97 ILE H H 1 7.178 0.04 . 1 . . . . 97 I HN . 16233 1 1056 . 1 1 97 97 ILE HA H 1 3.414 0.04 . 1 . . . . 97 I HA . 16233 1 1057 . 1 1 97 97 ILE HB H 1 2.021 0.04 . 1 . . . . 97 I HB . 16233 1 1058 . 1 1 97 97 ILE HD11 H 1 0.431 0.04 . 1 . . . . 97 I HD11 . 16233 1 1059 . 1 1 97 97 ILE HD12 H 1 0.431 0.04 . 1 . . . . 97 I HD11 . 16233 1 1060 . 1 1 97 97 ILE HD13 H 1 0.431 0.04 . 1 . . . . 97 I HD11 . 16233 1 1061 . 1 1 97 97 ILE HG12 H 1 1.564 0.04 . 1 . . . . 97 I HG11 . 16233 1 1062 . 1 1 97 97 ILE HG13 H 1 0.471 0.04 . 1 . . . . 97 I HG12 . 16233 1 1063 . 1 1 97 97 ILE HG21 H 1 0.917 0.04 . 1 . . . . 97 I HG21 . 16233 1 1064 . 1 1 97 97 ILE HG22 H 1 0.917 0.04 . 1 . . . . 97 I HG21 . 16233 1 1065 . 1 1 97 97 ILE HG23 H 1 0.917 0.04 . 1 . . . . 97 I HG21 . 16233 1 1066 . 1 1 97 97 ILE C C 13 177.560 1 . 1 . . . . 97 I C . 16233 1 1067 . 1 1 97 97 ILE CA C 13 66.663 1 . 1 . . . . 97 I CA . 16233 1 1068 . 1 1 97 97 ILE CB C 13 37.839 1 . 1 . . . . 97 I CB . 16233 1 1069 . 1 1 97 97 ILE CD1 C 13 12.761 1 . 1 . . . . 97 I CD1 . 16233 1 1070 . 1 1 97 97 ILE CG1 C 13 29.957 1 . 1 . . . . 97 I CG1 . 16233 1 1071 . 1 1 97 97 ILE CG2 C 13 17.419 1 . 1 . . . . 97 I CG2 . 16233 1 1072 . 1 1 97 97 ILE N N 15 119.943 0.5 . 1 . . . . 97 I N . 16233 1 1073 . 1 1 98 98 ASP H H 1 8.398 0.04 . 1 . . . . 98 D HN . 16233 1 1074 . 1 1 98 98 ASP HA H 1 4.285 0.04 . 1 . . . . 98 D HA . 16233 1 1075 . 1 1 98 98 ASP HB2 H 1 2.690 0.04 . 2 . . . . 98 D HB1 . 16233 1 1076 . 1 1 98 98 ASP HB3 H 1 2.690 0.04 . 2 . . . . 98 D HB2 . 16233 1 1077 . 1 1 98 98 ASP C C 13 179.141 1 . 1 . . . . 98 D C . 16233 1 1078 . 1 1 98 98 ASP CA C 13 57.494 1 . 1 . . . . 98 D CA . 16233 1 1079 . 1 1 98 98 ASP CB C 13 40.555 1 . 1 . . . . 98 D CB . 16233 1 1080 . 1 1 98 98 ASP N N 15 115.371 0.5 . 1 . . . . 98 D N . 16233 1 1081 . 1 1 99 99 SER H H 1 8.259 0.04 . 1 . . . . 99 S HN . 16233 1 1082 . 1 1 99 99 SER HA H 1 4.396 0.04 . 1 . . . . 99 S HA . 16233 1 1083 . 1 1 99 99 SER HB2 H 1 4.018 0.04 . 2 . . . . 99 S HB1 . 16233 1 1084 . 1 1 99 99 SER HB3 H 1 3.905 0.04 . 2 . . . . 99 S HB2 . 16233 1 1085 . 1 1 99 99 SER C C 13 177.591 1 . 1 . . . . 99 S C . 16233 1 1086 . 1 1 99 99 SER CA C 13 60.550 1 . 1 . . . . 99 S CA . 16233 1 1087 . 1 1 99 99 SER CB C 13 63.966 1 . 1 . . . . 99 S CB . 16233 1 1088 . 1 1 99 99 SER N N 15 113.514 0.5 . 1 . . . . 99 S N . 16233 1 1089 . 1 1 100 100 ASP H H 1 8.761 0.04 . 1 . . . . 100 D HN . 16233 1 1090 . 1 1 100 100 ASP HA H 1 4.885 0.04 . 1 . . . . 100 D HA . 16233 1 1091 . 1 1 100 100 ASP HB2 H 1 2.901 0.04 . 2 . . . . 100 D HB1 . 16233 1 1092 . 1 1 100 100 ASP HB3 H 1 2.702 0.04 . 2 . . . . 100 D HB2 . 16233 1 1093 . 1 1 100 100 ASP C C 13 179.094 1 . 1 . . . . 100 D C . 16233 1 1094 . 1 1 100 100 ASP CA C 13 55.302 1 . 1 . . . . 100 D CA . 16233 1 1095 . 1 1 100 100 ASP CB C 13 41.199 1 . 1 . . . . 100 D CB . 16233 1 1096 . 1 1 100 100 ASP N N 15 120.435 0.5 . 1 . . . . 100 D N . 16233 1 1097 . 1 1 101 101 LYS H H 1 8.267 0.04 . 1 . . . . 101 K HN . 16233 1 1098 . 1 1 101 101 LYS HA H 1 4.300 0.04 . 1 . . . . 101 K HA . 16233 1 1099 . 1 1 101 101 LYS HB2 H 1 2.032 0.04 . 2 . . . . 101 K HB1 . 16233 1 1100 . 1 1 101 101 LYS HB3 H 1 1.989 0.04 . 2 . . . . 101 K HB2 . 16233 1 1101 . 1 1 101 101 LYS HD2 H 1 1.673 0.04 . 2 . . . . 101 K HD1 . 16233 1 1102 . 1 1 101 101 LYS HD3 H 1 1.563 0.04 . 2 . . . . 101 K HD2 . 16233 1 1103 . 1 1 101 101 LYS HE2 H 1 3.060 0.04 . 2 . . . . 101 K HE1 . 16233 1 1104 . 1 1 101 101 LYS HE3 H 1 3.060 0.04 . 2 . . . . 101 K HE2 . 16233 1 1105 . 1 1 101 101 LYS HG2 H 1 1.677 0.04 . 2 . . . . 101 K HG1 . 16233 1 1106 . 1 1 101 101 LYS HG3 H 1 1.373 0.04 . 2 . . . . 101 K HG2 . 16233 1 1107 . 1 1 101 101 LYS C C 13 177.591 1 . 1 . . . . 101 K C . 16233 1 1108 . 1 1 101 101 LYS CA C 13 60.919 1 . 1 . . . . 101 K CA . 16233 1 1109 . 1 1 101 101 LYS CB C 13 31.392 1 . 1 . . . . 101 K CB . 16233 1 1110 . 1 1 101 101 LYS CD C 13 29.940 1 . 1 . . . . 101 K CD . 16233 1 1111 . 1 1 101 101 LYS CE C 13 42.370 1 . 1 . . . . 101 K CE . 16233 1 1112 . 1 1 101 101 LYS CG C 13 23.770 1 . 1 . . . . 101 K CG . 16233 1 1113 . 1 1 101 101 LYS N N 15 121.484 0.5 . 1 . . . . 101 K N . 16233 1 1114 . 1 1 102 102 SER H H 1 8.259 0.04 . 1 . . . . 102 S HN . 16233 1 1115 . 1 1 102 102 SER HA H 1 4.300 0.04 . 1 . . . . 102 S HA . 16233 1 1116 . 1 1 102 102 SER HB2 H 1 3.941 0.04 . 2 . . . . 102 S HB1 . 16233 1 1117 . 1 1 102 102 SER HB3 H 1 3.941 0.04 . 2 . . . . 102 S HB2 . 16233 1 1118 . 1 1 102 102 SER C C 13 176.722 1 . 1 . . . . 102 S C . 16233 1 1119 . 1 1 102 102 SER CA C 13 60.738 1 . 1 . . . . 102 S CA . 16233 1 1120 . 1 1 102 102 SER CB C 13 62.826 1 . 1 . . . . 102 S CB . 16233 1 1121 . 1 1 102 102 SER N N 15 113.514 0.5 . 1 . . . . 102 S N . 16233 1 1122 . 1 1 103 103 ASN H H 1 7.90156 0.04 . 1 . . . . 103 N HN . 16233 1 1123 . 1 1 103 103 ASN HA H 1 4.460 0.04 . 1 . . . . 103 N HA . 16233 1 1124 . 1 1 103 103 ASN HB2 H 1 2.448 0.04 . 2 . . . . 103 N HB1 . 16233 1 1125 . 1 1 103 103 ASN HB3 H 1 2.229 0.04 . 2 . . . . 103 N HB2 . 16233 1 1126 . 1 1 103 103 ASN HD21 H 1 6.977 0.04 . 2 . . . . 103 N HD21 . 16233 1 1127 . 1 1 103 103 ASN HD22 H 1 7.103 0.04 . 2 . . . . 103 N HD22 . 16233 1 1128 . 1 1 103 103 ASN C C 13 175.141 1 . 1 . . . . 103 N C . 16233 1 1129 . 1 1 103 103 ASN CA C 13 54.707 1 . 1 . . . . 103 N CA . 16233 1 1130 . 1 1 103 103 ASN CB C 13 38.376 1 . 1 . . . . 103 N CB . 16233 1 1131 . 1 1 103 103 ASN N N 15 118.07215 0.5 . 1 . . . . 103 N N . 16233 1 1132 . 1 1 103 103 ASN ND2 N 15 112.75 0.5 . 1 . . . . 103 N ND2 . 16233 1 1133 . 1 1 104 104 TYR H H 1 7.507 0.04 . 1 . . . . 104 Y HN . 16233 1 1134 . 1 1 104 104 TYR HA H 1 4.582 0.04 . 1 . . . . 104 Y HA . 16233 1 1135 . 1 1 104 104 TYR HB2 H 1 3.230 0.04 . 2 . . . . 104 Y HB1 . 16233 1 1136 . 1 1 104 104 TYR HB3 H 1 3.125 0.04 . 2 . . . . 104 Y HB2 . 16233 1 1137 . 1 1 104 104 TYR HD1 H 1 7.161 0.04 . 3 . . . . 104 Y HD1 . 16233 1 1138 . 1 1 104 104 TYR HD2 H 1 7.161 0.04 . 3 . . . . 104 Y HD2 . 16233 1 1139 . 1 1 104 104 TYR HE1 H 1 6.625 0.04 . 3 . . . . 104 Y HE1 . 16233 1 1140 . 1 1 104 104 TYR HE2 H 1 6.625 0.04 . 3 . . . . 104 Y HE2 . 16233 1 1141 . 1 1 104 104 TYR C C 13 175.513 1 . 1 . . . . 104 Y C . 16233 1 1142 . 1 1 104 104 TYR CA C 13 58.796 1 . 1 . . . . 104 Y CA . 16233 1 1143 . 1 1 104 104 TYR CB C 13 41.242 1 . 1 . . . . 104 Y CB . 16233 1 1144 . 1 1 104 104 TYR CD1 C 13 135.027 1 . 3 . . . . 104 Y CD1 . 16233 1 1145 . 1 1 104 104 TYR CD2 C 13 135.027 1 . 3 . . . . 104 Y CD2 . 16233 1 1146 . 1 1 104 104 TYR CE1 C 13 116.983 1 . 3 . . . . 104 Y CE1 . 16233 1 1147 . 1 1 104 104 TYR CE2 C 13 116.983 1 . 3 . . . . 104 Y CE2 . 16233 1 1148 . 1 1 104 104 TYR N N 15 115.737 0.5 . 1 . . . . 104 Y N . 16233 1 1149 . 1 1 105 105 CYS H H 1 8.221 0.04 . 1 . . . . 105 C HN . 16233 1 1150 . 1 1 105 105 CYS HA H 1 4.547 0.04 . 1 . . . . 105 C HA . 16233 1 1151 . 1 1 105 105 CYS HB2 H 1 3.673 0.04 . 2 . . . . 105 C HB1 . 16233 1 1152 . 1 1 105 105 CYS HB3 H 1 3.082 0.04 . 2 . . . . 105 C HB2 . 16233 1 1153 . 1 1 105 105 CYS C C 13 175.110 1 . 1 . . . . 105 C C . 16233 1 1154 . 1 1 105 105 CYS CA C 13 56.325 1 . 1 . . . . 105 C CA . 16233 1 1155 . 1 1 105 105 CYS CB C 13 40.684 1 . 1 . . . . 105 C CB . 16233 1 1156 . 1 1 105 105 CYS N N 15 120.008 0.5 . 1 . . . . 105 C N . 16233 1 1157 . 1 1 106 106 THR H H 1 8.457 0.04 . 1 . . . . 106 T HN . 16233 1 1158 . 1 1 106 106 THR HA H 1 4.469 0.04 . 1 . . . . 106 T HA . 16233 1 1159 . 1 1 106 106 THR HB H 1 4.348 0.04 . 1 . . . . 106 T HB . 16233 1 1160 . 1 1 106 106 THR HG21 H 1 1.233 0.04 . 1 . . . . 106 T HG21 . 16233 1 1161 . 1 1 106 106 THR HG22 H 1 1.233 0.04 . 1 . . . . 106 T HG21 . 16233 1 1162 . 1 1 106 106 THR HG23 H 1 1.233 0.04 . 1 . . . . 106 T HG21 . 16233 1 1163 . 1 1 106 106 THR C C 13 174.133 1 . 1 . . . . 106 T C . 16233 1 1164 . 1 1 106 106 THR CA C 13 61.809 1 . 1 . . . . 106 T CA . 16233 1 1165 . 1 1 106 106 THR CB C 13 70.438 1 . 1 . . . . 106 T CB . 16233 1 1166 . 1 1 106 106 THR CG2 C 13 21.593 1 . 1 . . . . 106 T CG2 . 16233 1 1167 . 1 1 106 106 THR N N 15 119.972 0.5 . 1 . . . . 106 T N . 16233 1 1168 . 1 1 107 107 ASP H H 1 8.126 0.04 . 1 . . . . 107 D HN . 16233 1 1169 . 1 1 107 107 ASP HA H 1 4.640 0.04 . 1 . . . . 107 D HA . 16233 1 1170 . 1 1 107 107 ASP HB2 H 1 2.713 0.04 . 2 . . . . 107 D HB1 . 16233 1 1171 . 1 1 107 107 ASP HB3 H 1 2.713 0.04 . 2 . . . . 107 D HB2 . 16233 1 1172 . 1 1 107 107 ASP C C 13 176.288 1 . 1 . . . . 107 D C . 16233 1 1173 . 1 1 107 107 ASP CA C 13 54.780 1 . 1 . . . . 107 D CA . 16233 1 1174 . 1 1 107 107 ASP CB C 13 41.152 1 . 1 . . . . 107 D CB . 16233 1 1175 . 1 1 107 107 ASP N N 15 122.953 0.5 . 1 . . . . 107 D N . 16233 1 1176 . 1 1 108 108 LYS H H 1 8.379 0.04 . 1 . . . . 108 K HN . 16233 1 1177 . 1 1 108 108 LYS HA H 1 4.405 0.04 . 1 . . . . 108 K HA . 16233 1 1178 . 1 1 108 108 LYS HB2 H 1 1.947 0.04 . 2 . . . . 108 K HB1 . 16233 1 1179 . 1 1 108 108 LYS HB3 H 1 1.772 0.04 . 2 . . . . 108 K HB2 . 16233 1 1180 . 1 1 108 108 LYS HD2 H 1 1.549 0.04 . 2 . . . . 108 K HD1 . 16233 1 1181 . 1 1 108 108 LYS HE2 H 1 2.888 0.04 . 2 . . . . 108 K HE1 . 16233 1 1182 . 1 1 108 108 LYS HE3 H 1 2.811 0.04 . 2 . . . . 108 K HE2 . 16233 1 1183 . 1 1 108 108 LYS HG2 H 1 1.455 0.04 . 2 . . . . 108 K HG1 . 16233 1 1184 . 1 1 108 108 LYS C C 13 176.862 1 . 1 . . . . 108 K C . 16233 1 1185 . 1 1 108 108 LYS CA C 13 56.505 1 . 1 . . . . 108 K CA . 16233 1 1186 . 1 1 108 108 LYS CB C 13 32.823 1 . 1 . . . . 108 K CB . 16233 1 1187 . 1 1 108 108 LYS CD C 13 29.214 1 . 1 . . . . 108 K CD . 16233 1 1188 . 1 1 108 108 LYS CE C 13 42.189 1 . 1 . . . . 108 K CE . 16233 1 1189 . 1 1 108 108 LYS CG C 13 24.677 1 . 1 . . . . 108 K CG . 16233 1 1190 . 1 1 108 108 LYS N N 15 122.900 0.5 . 1 . . . . 108 K N . 16233 1 1191 . 1 1 109 109 SER H H 1 8.384 0.04 . 1 . . . . 109 S HN . 16233 1 1192 . 1 1 109 109 SER HA H 1 4.396 0.04 . 1 . . . . 109 S HA . 16233 1 1193 . 1 1 109 109 SER HB2 H 1 3.897 0.04 . 2 . . . . 109 S HB1 . 16233 1 1194 . 1 1 109 109 SER HB3 H 1 3.897 0.04 . 2 . . . . 109 S HB2 . 16233 1 1195 . 1 1 109 109 SER C C 13 174.598 1 . 1 . . . . 109 S C . 16233 1 1196 . 1 1 109 109 SER CA C 13 59.022 1 . 1 . . . . 109 S CA . 16233 1 1197 . 1 1 109 109 SER CB C 13 63.876 1 . 1 . . . . 109 S CB . 16233 1 1198 . 1 1 109 109 SER N N 15 117.075 0.5 . 1 . . . . 109 S N . 16233 1 1199 . 1 1 110 110 GLU H H 1 8.397 0.04 . 1 . . . . 110 E HN . 16233 1 1200 . 1 1 110 110 GLU HA H 1 4.340 0.04 . 1 . . . . 110 E HA . 16233 1 1201 . 1 1 110 110 GLU HB2 H 1 2.087 0.04 . 2 . . . . 110 E HB1 . 16233 1 1202 . 1 1 110 110 GLU HB3 H 1 1.945 0.04 . 2 . . . . 110 E HB2 . 16233 1 1203 . 1 1 110 110 GLU C C 13 176.350 1 . 1 . . . . 110 E C . 16233 1 1204 . 1 1 110 110 GLU CA C 13 56.565 1 . 1 . . . . 110 E CA . 16233 1 1205 . 1 1 110 110 GLU CB C 13 30.047 1 . 1 . . . . 110 E CB . 16233 1 1206 . 1 1 110 110 GLU N N 15 122.349 0.5 . 1 . . . . 110 E N . 16233 1 1207 . 1 1 111 111 GLN H H 1 8.27748 0.04 . 1 . . . . 111 Q HN . 16233 1 1208 . 1 1 111 111 GLN HA H 1 4.309 0.04 . 1 . . . . 111 Q HA . 16233 1 1209 . 1 1 111 111 GLN HB2 H 1 2.098 0.04 . 2 . . . . 111 Q HB1 . 16233 1 1210 . 1 1 111 111 GLN HB3 H 1 1.989 0.04 . 2 . . . . 111 Q HB2 . 16233 1 1211 . 1 1 111 111 GLN C C 13 175.715 1 . 1 . . . . 111 Q C . 16233 1 1212 . 1 1 111 111 GLN CA C 13 55.824 1 . 1 . . . . 111 Q CA . 16233 1 1213 . 1 1 111 111 GLN CB C 13 29.783 1 . 1 . . . . 111 Q CB . 16233 1 1214 . 1 1 111 111 GLN CG C 13 32.2324 1 . 1 . . . . 111 Q CG . 16233 1 1215 . 1 1 111 111 GLN N N 15 121.05608 0.5 . 1 . . . . 111 Q N . 16233 1 1216 . 1 1 112 112 GLN H H 1 8.42718 0.04 . 1 . . . . 112 Q HN . 16233 1 1217 . 1 1 112 112 GLN C C 13 173.994 1 . 1 . . . . 112 Q C . 16233 1 1218 . 1 1 112 112 GLN CA C 13 53.884 1 . 1 . . . . 112 Q CA . 16233 1 1219 . 1 1 112 112 GLN CB C 13 28.962 1 . 1 . . . . 112 Q CB . 16233 1 1220 . 1 1 112 112 GLN N N 15 122.72885 0.5 . 1 . . . . 112 Q N . 16233 1 1221 . 1 1 113 113 PRO CA C 13 62.379 1 . 1 . . . . 113 P CA . 16233 1 1222 . 1 1 113 113 PRO CB C 13 34.317 1 . 1 . . . . 113 P CB . 16233 1 1223 . 1 1 113 113 PRO CD C 13 50.467 1 . 1 . . . . 113 P CD . 16233 1 1224 . 1 1 113 113 PRO CG C 13 27.181 1 . 1 . . . . 113 P CG . 16233 1 1225 . 1 1 114 114 SER H H 1 8.495 0.04 . 1 . . . . 114 S HN . 16233 1 1226 . 1 1 114 114 SER C C 13 174.707 1 . 1 . . . . 114 S C . 16233 1 1227 . 1 1 114 114 SER CA C 13 58.736 1 . 1 . . . . 114 S CA . 16233 1 1228 . 1 1 114 114 SER CB C 13 63.775 1 . 1 . . . . 114 S CB . 16233 1 1229 . 1 1 114 114 SER N N 15 116.376 0.5 . 1 . . . . 114 S N . 16233 1 1230 . 1 1 115 115 GLN H H 1 8.363 0.04 . 1 . . . . 115 Q HN . 16233 1 1231 . 1 1 115 115 GLN HA H 1 4.394 0.04 . 1 . . . . 115 Q HA . 16233 1 1232 . 1 1 115 115 GLN HB2 H 1 1.989 0.04 . 2 . . . . 115 Q HB2 . 16233 1 1233 . 1 1 115 115 GLN C C 13 175.435 1 . 1 . . . . 115 Q C . 16233 1 1234 . 1 1 115 115 GLN CA C 13 55.945 1 . 1 . . . . 115 Q CA . 16233 1 1235 . 1 1 115 115 GLN CB C 13 29.821 1 . 1 . . . . 115 Q CB . 16233 1 1236 . 1 1 115 115 GLN CG C 13 33.898 1 . 1 . . . . 115 Q CG . 16233 1 1237 . 1 1 115 115 GLN N N 15 122.111 0.5 . 1 . . . . 115 Q N . 16233 1 1238 . 1 1 116 116 ALA H H 1 8.305 0.04 . 1 . . . . 116 A HN . 16233 1 1239 . 1 1 116 116 ALA HA H 1 4.371 0.04 . 1 . . . . 116 A HA . 16233 1 1240 . 1 1 116 116 ALA HB1 H 1 1.362 0.04 . 1 . . . . 116 A HB1 . 16233 1 1241 . 1 1 116 116 ALA HB2 H 1 1.362 0.04 . 1 . . . . 116 A HB1 . 16233 1 1242 . 1 1 116 116 ALA HB3 H 1 1.362 0.04 . 1 . . . . 116 A HB1 . 16233 1 1243 . 1 1 116 116 ALA C C 13 177.513 1 . 1 . . . . 116 A C . 16233 1 1244 . 1 1 116 116 ALA CA C 13 52.392 1 . 1 . . . . 116 A CA . 16233 1 1245 . 1 1 116 116 ALA CB C 13 19.485 1 . 1 . . . . 116 A CB . 16233 1 1246 . 1 1 116 116 ALA N N 15 125.423 0.5 . 1 . . . . 116 A N . 16233 1 1247 . 1 1 117 117 THR H H 1 8.162 0.04 . 1 . . . . 117 T HN . 16233 1 1248 . 1 1 117 117 THR C C 13 172.381 1 . 1 . . . . 117 T C . 16233 1 1249 . 1 1 117 117 THR CA C 13 59.555 1 . 1 . . . . 117 T CA . 16233 1 1250 . 1 1 117 117 THR CB C 13 69.628 1 . 1 . . . . 117 T CB . 16233 1 1251 . 1 1 117 117 THR CG2 C 13 21.628 1 . 1 . . . . 117 T CG2 . 16233 1 1252 . 1 1 117 117 THR N N 15 116.505 0.5 . 1 . . . . 117 T N . 16233 1 1253 . 1 1 120 120 PRO C C 13 176.691 1 . 1 . . . . 120 P C . 16233 1 1254 . 1 1 120 120 PRO CA C 13 63.067 1 . 1 . . . . 120 P CA . 16233 1 1255 . 1 1 120 120 PRO CB C 13 32.286 1 . 1 . . . . 120 P CB . 16233 1 1256 . 1 1 120 120 PRO CD C 13 50.825 1 . 1 . . . . 120 P CD . 16233 1 1257 . 1 1 120 120 PRO CG C 13 27.808 1 . 1 . . . . 120 P CG . 16233 1 1258 . 1 1 121 121 GLU H H 1 8.377 0.04 . 1 . . . . 121 E HN . 16233 1 1259 . 1 1 121 121 GLU HA H 1 4.263 0.04 . 1 . . . . 121 E HA . 16233 1 1260 . 1 1 121 121 GLU HB2 H 1 2.010 0.04 . 2 . . . . 121 E HB1 . 16233 1 1261 . 1 1 121 121 GLU HB3 H 1 1.923 0.04 . 2 . . . . 121 E HB2 . 16233 1 1262 . 1 1 121 121 GLU HG2 H 1 2.254 0.04 . 2 . . . . 121 E HG1 . 16233 1 1263 . 1 1 121 121 GLU HG3 H 1 2.265 0.04 . 2 . . . . 121 E HG2 . 16233 1 1264 . 1 1 121 121 GLU C C 13 176.025 1 . 1 . . . . 121 E C . 16233 1 1265 . 1 1 121 121 GLU CA C 13 56.378 1 . 1 . . . . 121 E CA . 16233 1 1266 . 1 1 121 121 GLU CB C 13 30.315 1 . 1 . . . . 121 E CB . 16233 1 1267 . 1 1 121 121 GLU CG C 13 36.674 1 . 1 . . . . 121 E CG . 16233 1 1268 . 1 1 121 121 GLU N N 15 121.041 0.5 . 1 . . . . 121 E N . 16233 1 1269 . 1 1 122 122 ILE H H 1 8.149 0.04 . 1 . . . . 122 I HN . 16233 1 1270 . 1 1 122 122 ILE HA H 1 4.50 0.04 . 1 . . . . 122 I HA . 16233 1 1271 . 1 1 122 122 ILE HB H 1 1.90 0.04 . 1 . . . . 122 I HB . 16233 1 1272 . 1 1 122 122 ILE C C 13 173.761 1 . 1 . . . . 122 I C . 16233 1 1273 . 1 1 122 122 ILE CA C 13 58.436 1 . 1 . . . . 122 I CA . 16233 1 1274 . 1 1 122 122 ILE CB C 13 39.035 1 . 1 . . . . 122 I CB . 16233 1 1275 . 1 1 122 122 ILE CD1 C 13 13.1 1 . 1 . . . . 122 I CD1 . 16233 1 1276 . 1 1 122 122 ILE CG1 C 13 27.270 1 . 1 . . . . 122 I CG1 . 16233 1 1277 . 1 1 122 122 ILE CG2 C 13 17.687 1 . 1 . . . . 122 I CG2 . 16233 1 1278 . 1 1 122 122 ILE N N 15 123.972 0.5 . 1 . . . . 122 I N . 16233 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 515 16233 1 1 517 16233 1 1 518 16233 1 2 523 16233 1 2 525 16233 1 2 526 16233 1 stop_ save_