data_11088 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11088 _Entry.Title ; Solution structure of the PH domain of Dynamin-2 from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-18 _Entry.Accession_date 2010-01-19 _Entry.Last_release_date 2011-01-19 _Entry.Original_release_date 2011-01-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 H. Li . . . 11088 2 M. Sato . . . 11088 3 N. Tochio . . . 11088 4 S. Koshiba . . . 11088 5 S. Watanabe . . . 11088 6 T. Harada . . . 11088 7 T. Kigawa . . . 11088 8 S. Yokoyama . . . 11088 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11088 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11088 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 11088 '15N chemical shifts' 113 11088 '1H chemical shifts' 789 11088 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-01-19 2010-01-18 original author . 11088 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YS1 'BMRB Entry Tracking System' 11088 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11088 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the PH domain of Dynamin-2 from human' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 11088 1 2 M. Sato . . . 11088 1 3 N. Tochio . . . 11088 1 4 S. Koshiba . . . 11088 1 5 S. Watanabe . . . 11088 1 6 T. Harada . . . 11088 1 7 T. Kigawa . . . 11088 1 8 S. Yokoyama . . . 11088 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11088 _Assembly.ID 1 _Assembly.Name Dynamin-2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'PH domain' 1 $entity_1 A . yes native no no . . . 11088 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ys1 . . . . . . 11088 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11088 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVIRRGWLTINNIS LMKGGSKEYWFVLTAESLSW YKDEEEKEKKYMLPLDNLKI RDVEKGFMSNKHVFAIFNTE QRNVYKDLRQIELACDSQED VDSWKASFLRAGV ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YS1 . "Solution Structure Of The Ph Domain Of Dynamin-2 From Human" . . . . . 100.00 113 100.00 100.00 8.13e-76 . . . . 11088 1 2 no DBJ BAB23745 . "unnamed protein product [Mus musculus]" . . . . . 93.81 860 100.00 100.00 1.19e-60 . . . . 11088 1 3 no DBJ BAC05190 . "unnamed protein product [Homo sapiens]" . . . . . 93.81 464 100.00 100.00 5.96e-63 . . . . 11088 1 4 no DBJ BAC85978 . "unnamed protein product [Homo sapiens]" . . . . . 93.81 329 100.00 100.00 5.12e-70 . . . . 11088 1 5 no DBJ BAC86481 . "unnamed protein product [Homo sapiens]" . . . . . 93.81 329 100.00 100.00 4.54e-70 . . . . 11088 1 6 no DBJ BAC86797 . "unnamed protein product [Homo sapiens]" . . . . . 93.81 399 100.00 100.00 1.18e-71 . . . . 11088 1 7 no GB AAA16746 . "dynamin [Rattus norvegicus]" . . . . . 93.81 868 100.00 100.00 8.30e-61 . . . . 11088 1 8 no GB AAA19736 . "dynamin IIaa [Rattus norvegicus]" . . . . . 93.81 870 100.00 100.00 8.36e-61 . . . . 11088 1 9 no GB AAA40523 . "dynamin [Mus musculus]" . . . . . 93.81 866 100.00 100.00 3.19e-68 . . . . 11088 1 10 no GB AAA88025 . "dynamin [Homo sapiens]" . . . . . 93.81 866 100.00 100.00 3.19e-68 . . . . 11088 1 11 no GB AAD23603 . "dynamin II, partial [Homo sapiens]" . . . . . 93.81 393 100.00 100.00 1.01e-71 . . . . 11088 1 12 no REF NP_001005360 . "dynamin-2 isoform 1 [Homo sapiens]" . . . . . 93.81 870 100.00 100.00 8.36e-61 . . . . 11088 1 13 no REF NP_001005361 . "dynamin-2 isoform 2 [Homo sapiens]" . . . . . 93.81 870 100.00 100.00 8.36e-61 . . . . 11088 1 14 no REF NP_001005362 . "dynamin-2 isoform 4 [Homo sapiens]" . . . . . 93.81 866 100.00 100.00 3.19e-68 . . . . 11088 1 15 no REF NP_001034609 . "dynamin-2 isoform 2 [Mus musculus]" . . . . . 93.81 869 100.00 100.00 8.58e-61 . . . . 11088 1 16 no REF NP_001092839 . "dynamin-2 [Bos taurus]" . . . . . 93.81 866 100.00 100.00 3.19e-68 . . . . 11088 1 17 no SP A6H7I5 . "RecName: Full=Dynamin-2" . . . . . 93.81 866 100.00 100.00 3.19e-68 . . . . 11088 1 18 no SP P39052 . "RecName: Full=Dynamin-2" . . . . . 93.81 870 100.00 100.00 8.36e-61 . . . . 11088 1 19 no SP P39054 . "RecName: Full=Dynamin-2; AltName: Full=Dynamin UDNM" . . . . . 93.81 870 100.00 100.00 8.36e-61 . . . . 11088 1 20 no SP P50570 . "RecName: Full=Dynamin-2" . . . . . 93.81 870 100.00 100.00 8.36e-61 . . . . 11088 1 21 no TPG DAA27924 . "TPA: dynamin-2 [Bos taurus]" . . . . . 93.81 813 100.00 100.00 1.31e-67 . . . . 11088 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 . GLY . 11088 1 2 . SER . 11088 1 3 . SER . 11088 1 4 . GLY . 11088 1 5 . SER . 11088 1 6 . SER . 11088 1 7 . GLY . 11088 1 8 . VAL . 11088 1 9 . ILE . 11088 1 10 . ARG . 11088 1 11 . ARG . 11088 1 12 . GLY . 11088 1 13 . TRP . 11088 1 14 . LEU . 11088 1 15 . THR . 11088 1 16 . ILE . 11088 1 17 . ASN . 11088 1 18 . ASN . 11088 1 19 . ILE . 11088 1 20 . SER . 11088 1 21 . LEU . 11088 1 22 . MET . 11088 1 23 . LYS . 11088 1 24 . GLY . 11088 1 25 . GLY . 11088 1 26 . SER . 11088 1 27 . LYS . 11088 1 28 . GLU . 11088 1 29 . TYR . 11088 1 30 . TRP . 11088 1 31 . PHE . 11088 1 32 . VAL . 11088 1 33 . LEU . 11088 1 34 . THR . 11088 1 35 . ALA . 11088 1 36 . GLU . 11088 1 37 . SER . 11088 1 38 . LEU . 11088 1 39 . SER . 11088 1 40 . TRP . 11088 1 41 . TYR . 11088 1 42 . LYS . 11088 1 43 . ASP . 11088 1 44 . GLU . 11088 1 45 . GLU . 11088 1 46 . GLU . 11088 1 47 . LYS . 11088 1 48 . GLU . 11088 1 49 . LYS . 11088 1 50 . LYS . 11088 1 51 . TYR . 11088 1 52 . MET . 11088 1 53 . LEU . 11088 1 54 . PRO . 11088 1 55 . LEU . 11088 1 56 . ASP . 11088 1 57 . ASN . 11088 1 58 . LEU . 11088 1 59 . LYS . 11088 1 60 . ILE . 11088 1 61 . ARG . 11088 1 62 . ASP . 11088 1 63 . VAL . 11088 1 64 . GLU . 11088 1 65 . LYS . 11088 1 66 . GLY . 11088 1 67 . PHE . 11088 1 68 . MET . 11088 1 69 . SER . 11088 1 70 . ASN . 11088 1 71 . LYS . 11088 1 72 . HIS . 11088 1 73 . VAL . 11088 1 74 . PHE . 11088 1 75 . ALA . 11088 1 76 . ILE . 11088 1 77 . PHE . 11088 1 78 . ASN . 11088 1 79 . THR . 11088 1 80 . GLU . 11088 1 81 . GLN . 11088 1 82 . ARG . 11088 1 83 . ASN . 11088 1 84 . VAL . 11088 1 85 . TYR . 11088 1 86 . LYS . 11088 1 87 . ASP . 11088 1 88 . LEU . 11088 1 89 . ARG . 11088 1 90 . GLN . 11088 1 91 . ILE . 11088 1 92 . GLU . 11088 1 93 . LEU . 11088 1 94 . ALA . 11088 1 95 . CYS . 11088 1 96 . ASP . 11088 1 97 . SER . 11088 1 98 . GLN . 11088 1 99 . GLU . 11088 1 100 . ASP . 11088 1 101 . VAL . 11088 1 102 . ASP . 11088 1 103 . SER . 11088 1 104 . TRP . 11088 1 105 . LYS . 11088 1 106 . ALA . 11088 1 107 . SER . 11088 1 108 . PHE . 11088 1 109 . LEU . 11088 1 110 . ARG . 11088 1 111 . ALA . 11088 1 112 . GLY . 11088 1 113 . VAL . 11088 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11088 1 . SER 2 2 11088 1 . SER 3 3 11088 1 . GLY 4 4 11088 1 . SER 5 5 11088 1 . SER 6 6 11088 1 . GLY 7 7 11088 1 . VAL 8 8 11088 1 . ILE 9 9 11088 1 . ARG 10 10 11088 1 . ARG 11 11 11088 1 . GLY 12 12 11088 1 . TRP 13 13 11088 1 . LEU 14 14 11088 1 . THR 15 15 11088 1 . ILE 16 16 11088 1 . ASN 17 17 11088 1 . ASN 18 18 11088 1 . ILE 19 19 11088 1 . SER 20 20 11088 1 . LEU 21 21 11088 1 . MET 22 22 11088 1 . LYS 23 23 11088 1 . GLY 24 24 11088 1 . GLY 25 25 11088 1 . SER 26 26 11088 1 . LYS 27 27 11088 1 . GLU 28 28 11088 1 . TYR 29 29 11088 1 . TRP 30 30 11088 1 . PHE 31 31 11088 1 . VAL 32 32 11088 1 . LEU 33 33 11088 1 . THR 34 34 11088 1 . ALA 35 35 11088 1 . GLU 36 36 11088 1 . SER 37 37 11088 1 . LEU 38 38 11088 1 . SER 39 39 11088 1 . TRP 40 40 11088 1 . TYR 41 41 11088 1 . LYS 42 42 11088 1 . ASP 43 43 11088 1 . GLU 44 44 11088 1 . GLU 45 45 11088 1 . GLU 46 46 11088 1 . LYS 47 47 11088 1 . GLU 48 48 11088 1 . LYS 49 49 11088 1 . LYS 50 50 11088 1 . TYR 51 51 11088 1 . MET 52 52 11088 1 . LEU 53 53 11088 1 . PRO 54 54 11088 1 . LEU 55 55 11088 1 . ASP 56 56 11088 1 . ASN 57 57 11088 1 . LEU 58 58 11088 1 . LYS 59 59 11088 1 . ILE 60 60 11088 1 . ARG 61 61 11088 1 . ASP 62 62 11088 1 . VAL 63 63 11088 1 . GLU 64 64 11088 1 . LYS 65 65 11088 1 . GLY 66 66 11088 1 . PHE 67 67 11088 1 . MET 68 68 11088 1 . SER 69 69 11088 1 . ASN 70 70 11088 1 . LYS 71 71 11088 1 . HIS 72 72 11088 1 . VAL 73 73 11088 1 . PHE 74 74 11088 1 . ALA 75 75 11088 1 . ILE 76 76 11088 1 . PHE 77 77 11088 1 . ASN 78 78 11088 1 . THR 79 79 11088 1 . GLU 80 80 11088 1 . GLN 81 81 11088 1 . ARG 82 82 11088 1 . ASN 83 83 11088 1 . VAL 84 84 11088 1 . TYR 85 85 11088 1 . LYS 86 86 11088 1 . ASP 87 87 11088 1 . LEU 88 88 11088 1 . ARG 89 89 11088 1 . GLN 90 90 11088 1 . ILE 91 91 11088 1 . GLU 92 92 11088 1 . LEU 93 93 11088 1 . ALA 94 94 11088 1 . CYS 95 95 11088 1 . ASP 96 96 11088 1 . SER 97 97 11088 1 . GLN 98 98 11088 1 . GLU 99 99 11088 1 . ASP 100 100 11088 1 . VAL 101 101 11088 1 . ASP 102 102 11088 1 . SER 103 103 11088 1 . TRP 104 104 11088 1 . LYS 105 105 11088 1 . ALA 106 106 11088 1 . SER 107 107 11088 1 . PHE 108 108 11088 1 . LEU 109 109 11088 1 . ARG 110 110 11088 1 . ALA 111 111 11088 1 . GLY 112 112 11088 1 . VAL 113 113 11088 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 11088 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11088 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 11088 _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 $entity_1 . 'Cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P060904-04 . . . . . . 11088 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11088 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.17mM PH domain [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; _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 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.17 . . mM . . . . 11088 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11088 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11088 1 4 DTT [U-2H] . . . . . salt 1 . . mM . . . . 11088 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11088 1 6 H2O . . . . . . solvent 90 . . % . . . . 11088 1 7 D2O . . . . . . solvent 10 . . % . . . . 11088 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11088 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11088 1 pH 7.0 0.05 pH 11088 1 pressure 1 0.001 atm 11088 1 temperature 296 0.1 K 11088 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11088 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11088 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11088 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11088 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11088 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11088 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11088 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11088 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11088 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11088 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11088 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11088 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11088 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11088 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11088 5 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 11088 _NMR_spectrometer.ID 1 _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 11088 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11088 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 11088 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11088 1 2 '3D 13N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11088 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11088 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11088 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11088 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11088 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11088 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11088 1 2 '3D 13N-separated NOESY' 1 $sample_1 isotropic 11088 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11088 1 2 $NMRPipe . . 11088 1 3 $NMRVIEW . . 11088 1 4 $Kujira . . 11088 1 5 $CYANA . . 11088 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 7 7 GLY HA2 H 1 3.929 0.030 . 1 . . . . 7 GLY HA2 . 11088 1 2 . 1 1 7 7 GLY HA3 H 1 3.929 0.030 . 1 . . . . 7 GLY HA3 . 11088 1 3 . 1 1 7 7 GLY C C 13 174.045 0.300 . 1 . . . . 7 GLY C . 11088 1 4 . 1 1 7 7 GLY CA C 13 45.349 0.300 . 1 . . . . 7 GLY CA . 11088 1 5 . 1 1 8 8 VAL H H 1 8.123 0.030 . 1 . . . . 8 VAL H . 11088 1 6 . 1 1 8 8 VAL HA H 1 3.732 0.030 . 1 . . . . 8 VAL HA . 11088 1 7 . 1 1 8 8 VAL HB H 1 1.907 0.030 . 1 . . . . 8 VAL HB . 11088 1 8 . 1 1 8 8 VAL HG11 H 1 0.724 0.030 . 1 . . . . 8 VAL HG1 . 11088 1 9 . 1 1 8 8 VAL HG12 H 1 0.724 0.030 . 1 . . . . 8 VAL HG1 . 11088 1 10 . 1 1 8 8 VAL HG13 H 1 0.724 0.030 . 1 . . . . 8 VAL HG1 . 11088 1 11 . 1 1 8 8 VAL HG21 H 1 0.864 0.030 . 1 . . . . 8 VAL HG2 . 11088 1 12 . 1 1 8 8 VAL HG22 H 1 0.864 0.030 . 1 . . . . 8 VAL HG2 . 11088 1 13 . 1 1 8 8 VAL HG23 H 1 0.864 0.030 . 1 . . . . 8 VAL HG2 . 11088 1 14 . 1 1 8 8 VAL C C 13 176.293 0.300 . 1 . . . . 8 VAL C . 11088 1 15 . 1 1 8 8 VAL CA C 13 63.997 0.300 . 1 . . . . 8 VAL CA . 11088 1 16 . 1 1 8 8 VAL CB C 13 32.427 0.300 . 1 . . . . 8 VAL CB . 11088 1 17 . 1 1 8 8 VAL CG1 C 13 21.901 0.300 . 2 . . . . 8 VAL CG1 . 11088 1 18 . 1 1 8 8 VAL CG2 C 13 22.009 0.300 . 2 . . . . 8 VAL CG2 . 11088 1 19 . 1 1 8 8 VAL N N 15 121.040 0.300 . 1 . . . . 8 VAL N . 11088 1 20 . 1 1 9 9 ILE H H 1 9.232 0.030 . 1 . . . . 9 ILE H . 11088 1 21 . 1 1 9 9 ILE HA H 1 3.830 0.030 . 1 . . . . 9 ILE HA . 11088 1 22 . 1 1 9 9 ILE HB H 1 1.256 0.030 . 1 . . . . 9 ILE HB . 11088 1 23 . 1 1 9 9 ILE HD11 H 1 0.628 0.030 . 1 . . . . 9 ILE HD1 . 11088 1 24 . 1 1 9 9 ILE HD12 H 1 0.628 0.030 . 1 . . . . 9 ILE HD1 . 11088 1 25 . 1 1 9 9 ILE HD13 H 1 0.628 0.030 . 1 . . . . 9 ILE HD1 . 11088 1 26 . 1 1 9 9 ILE HG12 H 1 1.579 0.030 . 2 . . . . 9 ILE HG12 . 11088 1 27 . 1 1 9 9 ILE HG13 H 1 0.890 0.030 . 2 . . . . 9 ILE HG13 . 11088 1 28 . 1 1 9 9 ILE HG21 H 1 0.787 0.030 . 1 . . . . 9 ILE HG2 . 11088 1 29 . 1 1 9 9 ILE HG22 H 1 0.787 0.030 . 1 . . . . 9 ILE HG2 . 11088 1 30 . 1 1 9 9 ILE HG23 H 1 0.787 0.030 . 1 . . . . 9 ILE HG2 . 11088 1 31 . 1 1 9 9 ILE C C 13 175.790 0.300 . 1 . . . . 9 ILE C . 11088 1 32 . 1 1 9 9 ILE CA C 13 63.259 0.300 . 1 . . . . 9 ILE CA . 11088 1 33 . 1 1 9 9 ILE CB C 13 39.177 0.300 . 1 . . . . 9 ILE CB . 11088 1 34 . 1 1 9 9 ILE CD1 C 13 12.837 0.300 . 1 . . . . 9 ILE CD1 . 11088 1 35 . 1 1 9 9 ILE CG1 C 13 28.635 0.300 . 1 . . . . 9 ILE CG1 . 11088 1 36 . 1 1 9 9 ILE CG2 C 13 17.454 0.300 . 1 . . . . 9 ILE CG2 . 11088 1 37 . 1 1 9 9 ILE N N 15 129.509 0.300 . 1 . . . . 9 ILE N . 11088 1 38 . 1 1 10 10 ARG H H 1 7.495 0.030 . 1 . . . . 10 ARG H . 11088 1 39 . 1 1 10 10 ARG HA H 1 4.138 0.030 . 1 . . . . 10 ARG HA . 11088 1 40 . 1 1 10 10 ARG HB2 H 1 1.367 0.030 . 2 . . . . 10 ARG HB2 . 11088 1 41 . 1 1 10 10 ARG HB3 H 1 0.754 0.030 . 2 . . . . 10 ARG HB3 . 11088 1 42 . 1 1 10 10 ARG HD2 H 1 2.166 0.030 . 2 . . . . 10 ARG HD2 . 11088 1 43 . 1 1 10 10 ARG HD3 H 1 1.468 0.030 . 2 . . . . 10 ARG HD3 . 11088 1 44 . 1 1 10 10 ARG HE H 1 5.394 0.030 . 1 . . . . 10 ARG HE . 11088 1 45 . 1 1 10 10 ARG HG2 H 1 0.003 0.030 . 2 . . . . 10 ARG HG2 . 11088 1 46 . 1 1 10 10 ARG HG3 H 1 0.490 0.030 . 2 . . . . 10 ARG HG3 . 11088 1 47 . 1 1 10 10 ARG C C 13 171.795 0.300 . 1 . . . . 10 ARG C . 11088 1 48 . 1 1 10 10 ARG CA C 13 55.421 0.300 . 1 . . . . 10 ARG CA . 11088 1 49 . 1 1 10 10 ARG CB C 13 32.986 0.300 . 1 . . . . 10 ARG CB . 11088 1 50 . 1 1 10 10 ARG CD C 13 41.544 0.300 . 1 . . . . 10 ARG CD . 11088 1 51 . 1 1 10 10 ARG CG C 13 26.670 0.300 . 1 . . . . 10 ARG CG . 11088 1 52 . 1 1 10 10 ARG N N 15 118.392 0.300 . 1 . . . . 10 ARG N . 11088 1 53 . 1 1 10 10 ARG NE N 15 83.476 0.300 . 1 . . . . 10 ARG NE . 11088 1 54 . 1 1 11 11 ARG H H 1 8.052 0.030 . 1 . . . . 11 ARG H . 11088 1 55 . 1 1 11 11 ARG HA H 1 5.554 0.030 . 1 . . . . 11 ARG HA . 11088 1 56 . 1 1 11 11 ARG HB2 H 1 1.490 0.030 . 2 . . . . 11 ARG HB2 . 11088 1 57 . 1 1 11 11 ARG HB3 H 1 1.411 0.030 . 2 . . . . 11 ARG HB3 . 11088 1 58 . 1 1 11 11 ARG HD2 H 1 3.455 0.030 . 2 . . . . 11 ARG HD2 . 11088 1 59 . 1 1 11 11 ARG HD3 H 1 3.357 0.030 . 2 . . . . 11 ARG HD3 . 11088 1 60 . 1 1 11 11 ARG HG2 H 1 1.573 0.030 . 1 . . . . 11 ARG HG2 . 11088 1 61 . 1 1 11 11 ARG HG3 H 1 1.573 0.030 . 1 . . . . 11 ARG HG3 . 11088 1 62 . 1 1 11 11 ARG C C 13 175.807 0.300 . 1 . . . . 11 ARG C . 11088 1 63 . 1 1 11 11 ARG CA C 13 53.196 0.300 . 1 . . . . 11 ARG CA . 11088 1 64 . 1 1 11 11 ARG CB C 13 34.636 0.300 . 1 . . . . 11 ARG CB . 11088 1 65 . 1 1 11 11 ARG CD C 13 44.268 0.300 . 1 . . . . 11 ARG CD . 11088 1 66 . 1 1 11 11 ARG CG C 13 27.246 0.300 . 1 . . . . 11 ARG CG . 11088 1 67 . 1 1 11 11 ARG N N 15 121.677 0.300 . 1 . . . . 11 ARG N . 11088 1 68 . 1 1 12 12 GLY H H 1 8.062 0.030 . 1 . . . . 12 GLY H . 11088 1 69 . 1 1 12 12 GLY HA2 H 1 3.390 0.030 . 2 . . . . 12 GLY HA2 . 11088 1 70 . 1 1 12 12 GLY HA3 H 1 4.269 0.030 . 2 . . . . 12 GLY HA3 . 11088 1 71 . 1 1 12 12 GLY C C 13 171.372 0.300 . 1 . . . . 12 GLY C . 11088 1 72 . 1 1 12 12 GLY CA C 13 46.042 0.300 . 1 . . . . 12 GLY CA . 11088 1 73 . 1 1 12 12 GLY N N 15 108.382 0.300 . 1 . . . . 12 GLY N . 11088 1 74 . 1 1 13 13 TRP H H 1 8.845 0.030 . 1 . . . . 13 TRP H . 11088 1 75 . 1 1 13 13 TRP HA H 1 5.603 0.030 . 1 . . . . 13 TRP HA . 11088 1 76 . 1 1 13 13 TRP HB2 H 1 3.397 0.030 . 2 . . . . 13 TRP HB2 . 11088 1 77 . 1 1 13 13 TRP HB3 H 1 3.312 0.030 . 2 . . . . 13 TRP HB3 . 11088 1 78 . 1 1 13 13 TRP HD1 H 1 7.774 0.030 . 1 . . . . 13 TRP HD1 . 11088 1 79 . 1 1 13 13 TRP HE1 H 1 10.634 0.030 . 1 . . . . 13 TRP HE1 . 11088 1 80 . 1 1 13 13 TRP HE3 H 1 7.644 0.030 . 1 . . . . 13 TRP HE3 . 11088 1 81 . 1 1 13 13 TRP HH2 H 1 7.513 0.030 . 1 . . . . 13 TRP HH2 . 11088 1 82 . 1 1 13 13 TRP HZ2 H 1 7.681 0.030 . 1 . . . . 13 TRP HZ2 . 11088 1 83 . 1 1 13 13 TRP HZ3 H 1 7.083 0.030 . 1 . . . . 13 TRP HZ3 . 11088 1 84 . 1 1 13 13 TRP C C 13 178.237 0.300 . 1 . . . . 13 TRP C . 11088 1 85 . 1 1 13 13 TRP CA C 13 57.908 0.300 . 1 . . . . 13 TRP CA . 11088 1 86 . 1 1 13 13 TRP CB C 13 30.545 0.300 . 1 . . . . 13 TRP CB . 11088 1 87 . 1 1 13 13 TRP CD1 C 13 128.132 0.300 . 1 . . . . 13 TRP CD1 . 11088 1 88 . 1 1 13 13 TRP CE3 C 13 120.795 0.300 . 1 . . . . 13 TRP CE3 . 11088 1 89 . 1 1 13 13 TRP CH2 C 13 124.710 0.300 . 1 . . . . 13 TRP CH2 . 11088 1 90 . 1 1 13 13 TRP CZ2 C 13 114.896 0.300 . 1 . . . . 13 TRP CZ2 . 11088 1 91 . 1 1 13 13 TRP CZ3 C 13 121.698 0.300 . 1 . . . . 13 TRP CZ3 . 11088 1 92 . 1 1 13 13 TRP N N 15 121.406 0.300 . 1 . . . . 13 TRP N . 11088 1 93 . 1 1 13 13 TRP NE1 N 15 131.257 0.300 . 1 . . . . 13 TRP NE1 . 11088 1 94 . 1 1 14 14 LEU H H 1 9.460 0.030 . 1 . . . . 14 LEU H . 11088 1 95 . 1 1 14 14 LEU HA H 1 4.779 0.030 . 1 . . . . 14 LEU HA . 11088 1 96 . 1 1 14 14 LEU HB2 H 1 1.224 0.030 . 2 . . . . 14 LEU HB2 . 11088 1 97 . 1 1 14 14 LEU HB3 H 1 0.539 0.030 . 2 . . . . 14 LEU HB3 . 11088 1 98 . 1 1 14 14 LEU HD11 H 1 -1.141 0.030 . 1 . . . . 14 LEU HD1 . 11088 1 99 . 1 1 14 14 LEU HD12 H 1 -1.141 0.030 . 1 . . . . 14 LEU HD1 . 11088 1 100 . 1 1 14 14 LEU HD13 H 1 -1.141 0.030 . 1 . . . . 14 LEU HD1 . 11088 1 101 . 1 1 14 14 LEU HD21 H 1 0.349 0.030 . 1 . . . . 14 LEU HD2 . 11088 1 102 . 1 1 14 14 LEU HD22 H 1 0.349 0.030 . 1 . . . . 14 LEU HD2 . 11088 1 103 . 1 1 14 14 LEU HD23 H 1 0.349 0.030 . 1 . . . . 14 LEU HD2 . 11088 1 104 . 1 1 14 14 LEU HG H 1 0.846 0.030 . 1 . . . . 14 LEU HG . 11088 1 105 . 1 1 14 14 LEU C C 13 175.608 0.300 . 1 . . . . 14 LEU C . 11088 1 106 . 1 1 14 14 LEU CA C 13 54.779 0.300 . 1 . . . . 14 LEU CA . 11088 1 107 . 1 1 14 14 LEU CB C 13 47.238 0.300 . 1 . . . . 14 LEU CB . 11088 1 108 . 1 1 14 14 LEU CD1 C 13 23.747 0.300 . 2 . . . . 14 LEU CD1 . 11088 1 109 . 1 1 14 14 LEU CD2 C 13 25.601 0.300 . 2 . . . . 14 LEU CD2 . 11088 1 110 . 1 1 14 14 LEU CG C 13 26.208 0.300 . 1 . . . . 14 LEU CG . 11088 1 111 . 1 1 14 14 LEU N N 15 123.126 0.300 . 1 . . . . 14 LEU N . 11088 1 112 . 1 1 15 15 THR H H 1 7.902 0.030 . 1 . . . . 15 THR H . 11088 1 113 . 1 1 15 15 THR HA H 1 4.896 0.030 . 1 . . . . 15 THR HA . 11088 1 114 . 1 1 15 15 THR HB H 1 3.924 0.030 . 1 . . . . 15 THR HB . 11088 1 115 . 1 1 15 15 THR HG21 H 1 1.028 0.030 . 1 . . . . 15 THR HG2 . 11088 1 116 . 1 1 15 15 THR HG22 H 1 1.028 0.030 . 1 . . . . 15 THR HG2 . 11088 1 117 . 1 1 15 15 THR HG23 H 1 1.028 0.030 . 1 . . . . 15 THR HG2 . 11088 1 118 . 1 1 15 15 THR C C 13 174.436 0.300 . 1 . . . . 15 THR C . 11088 1 119 . 1 1 15 15 THR CA C 13 62.273 0.300 . 1 . . . . 15 THR CA . 11088 1 120 . 1 1 15 15 THR CB C 13 70.651 0.300 . 1 . . . . 15 THR CB . 11088 1 121 . 1 1 15 15 THR CG2 C 13 21.346 0.300 . 1 . . . . 15 THR CG2 . 11088 1 122 . 1 1 15 15 THR N N 15 116.441 0.300 . 1 . . . . 15 THR N . 11088 1 123 . 1 1 16 16 ILE H H 1 8.877 0.030 . 1 . . . . 16 ILE H . 11088 1 124 . 1 1 16 16 ILE HA H 1 4.479 0.030 . 1 . . . . 16 ILE HA . 11088 1 125 . 1 1 16 16 ILE HB H 1 1.913 0.030 . 1 . . . . 16 ILE HB . 11088 1 126 . 1 1 16 16 ILE HD11 H 1 0.190 0.030 . 1 . . . . 16 ILE HD1 . 11088 1 127 . 1 1 16 16 ILE HD12 H 1 0.190 0.030 . 1 . . . . 16 ILE HD1 . 11088 1 128 . 1 1 16 16 ILE HD13 H 1 0.190 0.030 . 1 . . . . 16 ILE HD1 . 11088 1 129 . 1 1 16 16 ILE HG12 H 1 1.661 0.030 . 2 . . . . 16 ILE HG12 . 11088 1 130 . 1 1 16 16 ILE HG13 H 1 0.517 0.030 . 2 . . . . 16 ILE HG13 . 11088 1 131 . 1 1 16 16 ILE HG21 H 1 0.815 0.030 . 1 . . . . 16 ILE HG2 . 11088 1 132 . 1 1 16 16 ILE HG22 H 1 0.815 0.030 . 1 . . . . 16 ILE HG2 . 11088 1 133 . 1 1 16 16 ILE HG23 H 1 0.815 0.030 . 1 . . . . 16 ILE HG2 . 11088 1 134 . 1 1 16 16 ILE C C 13 175.866 0.300 . 1 . . . . 16 ILE C . 11088 1 135 . 1 1 16 16 ILE CA C 13 61.464 0.300 . 1 . . . . 16 ILE CA . 11088 1 136 . 1 1 16 16 ILE CB C 13 36.983 0.300 . 1 . . . . 16 ILE CB . 11088 1 137 . 1 1 16 16 ILE CD1 C 13 12.896 0.300 . 1 . . . . 16 ILE CD1 . 11088 1 138 . 1 1 16 16 ILE CG1 C 13 26.999 0.300 . 1 . . . . 16 ILE CG1 . 11088 1 139 . 1 1 16 16 ILE CG2 C 13 18.407 0.300 . 1 . . . . 16 ILE CG2 . 11088 1 140 . 1 1 16 16 ILE N N 15 125.713 0.300 . 1 . . . . 16 ILE N . 11088 1 141 . 1 1 17 17 ASN H H 1 8.855 0.030 . 1 . . . . 17 ASN H . 11088 1 142 . 1 1 17 17 ASN HA H 1 4.524 0.030 . 1 . . . . 17 ASN HA . 11088 1 143 . 1 1 17 17 ASN HB2 H 1 2.132 0.030 . 2 . . . . 17 ASN HB2 . 11088 1 144 . 1 1 17 17 ASN HB3 H 1 2.667 0.030 . 2 . . . . 17 ASN HB3 . 11088 1 145 . 1 1 17 17 ASN HD21 H 1 6.617 0.030 . 2 . . . . 17 ASN HD21 . 11088 1 146 . 1 1 17 17 ASN HD22 H 1 7.891 0.030 . 2 . . . . 17 ASN HD22 . 11088 1 147 . 1 1 17 17 ASN C C 13 175.980 0.300 . 1 . . . . 17 ASN C . 11088 1 148 . 1 1 17 17 ASN CA C 13 54.497 0.300 . 1 . . . . 17 ASN CA . 11088 1 149 . 1 1 17 17 ASN CB C 13 40.568 0.300 . 1 . . . . 17 ASN CB . 11088 1 150 . 1 1 17 17 ASN N N 15 126.084 0.300 . 1 . . . . 17 ASN N . 11088 1 151 . 1 1 17 17 ASN ND2 N 15 112.683 0.300 . 1 . . . . 17 ASN ND2 . 11088 1 152 . 1 1 18 18 ASN H H 1 8.492 0.030 . 1 . . . . 18 ASN H . 11088 1 153 . 1 1 18 18 ASN HA H 1 4.795 0.030 . 1 . . . . 18 ASN HA . 11088 1 154 . 1 1 18 18 ASN HB2 H 1 2.572 0.030 . 2 . . . . 18 ASN HB2 . 11088 1 155 . 1 1 18 18 ASN HB3 H 1 2.950 0.030 . 2 . . . . 18 ASN HB3 . 11088 1 156 . 1 1 18 18 ASN HD21 H 1 7.447 0.030 . 2 . . . . 18 ASN HD21 . 11088 1 157 . 1 1 18 18 ASN HD22 H 1 7.835 0.030 . 2 . . . . 18 ASN HD22 . 11088 1 158 . 1 1 18 18 ASN C C 13 174.407 0.300 . 1 . . . . 18 ASN C . 11088 1 159 . 1 1 18 18 ASN CA C 13 52.949 0.300 . 1 . . . . 18 ASN CA . 11088 1 160 . 1 1 18 18 ASN CB C 13 37.254 0.300 . 1 . . . . 18 ASN CB . 11088 1 161 . 1 1 18 18 ASN N N 15 113.751 0.300 . 1 . . . . 18 ASN N . 11088 1 162 . 1 1 18 18 ASN ND2 N 15 114.219 0.300 . 1 . . . . 18 ASN ND2 . 11088 1 163 . 1 1 19 19 ILE H H 1 7.128 0.030 . 1 . . . . 19 ILE H . 11088 1 164 . 1 1 19 19 ILE HA H 1 4.258 0.030 . 1 . . . . 19 ILE HA . 11088 1 165 . 1 1 19 19 ILE HB H 1 1.766 0.030 . 1 . . . . 19 ILE HB . 11088 1 166 . 1 1 19 19 ILE HD11 H 1 0.953 0.030 . 1 . . . . 19 ILE HD1 . 11088 1 167 . 1 1 19 19 ILE HD12 H 1 0.953 0.030 . 1 . . . . 19 ILE HD1 . 11088 1 168 . 1 1 19 19 ILE HD13 H 1 0.953 0.030 . 1 . . . . 19 ILE HD1 . 11088 1 169 . 1 1 19 19 ILE HG12 H 1 1.512 0.030 . 2 . . . . 19 ILE HG12 . 11088 1 170 . 1 1 19 19 ILE HG13 H 1 1.216 0.030 . 2 . . . . 19 ILE HG13 . 11088 1 171 . 1 1 19 19 ILE HG21 H 1 0.980 0.030 . 1 . . . . 19 ILE HG2 . 11088 1 172 . 1 1 19 19 ILE HG22 H 1 0.980 0.030 . 1 . . . . 19 ILE HG2 . 11088 1 173 . 1 1 19 19 ILE HG23 H 1 0.980 0.030 . 1 . . . . 19 ILE HG2 . 11088 1 174 . 1 1 19 19 ILE C C 13 175.564 0.300 . 1 . . . . 19 ILE C . 11088 1 175 . 1 1 19 19 ILE CA C 13 61.429 0.300 . 1 . . . . 19 ILE CA . 11088 1 176 . 1 1 19 19 ILE CB C 13 39.437 0.300 . 1 . . . . 19 ILE CB . 11088 1 177 . 1 1 19 19 ILE CD1 C 13 14.103 0.300 . 1 . . . . 19 ILE CD1 . 11088 1 178 . 1 1 19 19 ILE CG1 C 13 27.887 0.300 . 1 . . . . 19 ILE CG1 . 11088 1 179 . 1 1 19 19 ILE CG2 C 13 17.702 0.300 . 1 . . . . 19 ILE CG2 . 11088 1 180 . 1 1 19 19 ILE N N 15 117.227 0.300 . 1 . . . . 19 ILE N . 11088 1 181 . 1 1 20 20 SER H H 1 8.409 0.030 . 1 . . . . 20 SER H . 11088 1 182 . 1 1 20 20 SER HA H 1 4.444 0.030 . 1 . . . . 20 SER HA . 11088 1 183 . 1 1 20 20 SER HB2 H 1 3.930 0.030 . 2 . . . . 20 SER HB2 . 11088 1 184 . 1 1 20 20 SER HB3 H 1 3.845 0.030 . 2 . . . . 20 SER HB3 . 11088 1 185 . 1 1 20 20 SER C C 13 174.966 0.300 . 1 . . . . 20 SER C . 11088 1 186 . 1 1 20 20 SER CA C 13 58.273 0.300 . 1 . . . . 20 SER CA . 11088 1 187 . 1 1 20 20 SER CB C 13 63.744 0.300 . 1 . . . . 20 SER CB . 11088 1 188 . 1 1 20 20 SER N N 15 119.352 0.300 . 1 . . . . 20 SER N . 11088 1 189 . 1 1 21 21 LEU H H 1 8.459 0.030 . 1 . . . . 21 LEU H . 11088 1 190 . 1 1 21 21 LEU HA H 1 4.348 0.030 . 1 . . . . 21 LEU HA . 11088 1 191 . 1 1 21 21 LEU HB2 H 1 1.649 0.030 . 1 . . . . 21 LEU HB2 . 11088 1 192 . 1 1 21 21 LEU HB3 H 1 1.649 0.030 . 1 . . . . 21 LEU HB3 . 11088 1 193 . 1 1 21 21 LEU HD11 H 1 0.906 0.030 . 1 . . . . 21 LEU HD1 . 11088 1 194 . 1 1 21 21 LEU HD12 H 1 0.906 0.030 . 1 . . . . 21 LEU HD1 . 11088 1 195 . 1 1 21 21 LEU HD13 H 1 0.906 0.030 . 1 . . . . 21 LEU HD1 . 11088 1 196 . 1 1 21 21 LEU HD21 H 1 0.887 0.030 . 1 . . . . 21 LEU HD2 . 11088 1 197 . 1 1 21 21 LEU HD22 H 1 0.887 0.030 . 1 . . . . 21 LEU HD2 . 11088 1 198 . 1 1 21 21 LEU HD23 H 1 0.887 0.030 . 1 . . . . 21 LEU HD2 . 11088 1 199 . 1 1 21 21 LEU HG H 1 1.615 0.030 . 1 . . . . 21 LEU HG . 11088 1 200 . 1 1 21 21 LEU C C 13 178.017 0.300 . 1 . . . . 21 LEU C . 11088 1 201 . 1 1 21 21 LEU CA C 13 55.694 0.300 . 1 . . . . 21 LEU CA . 11088 1 202 . 1 1 21 21 LEU CB C 13 42.418 0.300 . 1 . . . . 21 LEU CB . 11088 1 203 . 1 1 21 21 LEU CD1 C 13 25.108 0.300 . 2 . . . . 21 LEU CD1 . 11088 1 204 . 1 1 21 21 LEU CD2 C 13 23.729 0.300 . 2 . . . . 21 LEU CD2 . 11088 1 205 . 1 1 21 21 LEU CG C 13 27.037 0.300 . 1 . . . . 21 LEU CG . 11088 1 206 . 1 1 21 21 LEU N N 15 124.643 0.300 . 1 . . . . 21 LEU N . 11088 1 207 . 1 1 22 22 MET H H 1 8.274 0.030 . 1 . . . . 22 MET H . 11088 1 208 . 1 1 22 22 MET HA H 1 4.258 0.030 . 1 . . . . 22 MET HA . 11088 1 209 . 1 1 22 22 MET HE1 H 1 2.103 0.030 . 1 . . . . 22 MET HE . 11088 1 210 . 1 1 22 22 MET HE2 H 1 2.103 0.030 . 1 . . . . 22 MET HE . 11088 1 211 . 1 1 22 22 MET HE3 H 1 2.103 0.030 . 1 . . . . 22 MET HE . 11088 1 212 . 1 1 22 22 MET HG2 H 1 2.314 0.030 . 2 . . . . 22 MET HG2 . 11088 1 213 . 1 1 22 22 MET HG3 H 1 2.295 0.030 . 2 . . . . 22 MET HG3 . 11088 1 214 . 1 1 22 22 MET CA C 13 55.870 0.300 . 1 . . . . 22 MET CA . 11088 1 215 . 1 1 22 22 MET CB C 13 33.167 0.300 . 1 . . . . 22 MET CB . 11088 1 216 . 1 1 22 22 MET CE C 13 17.117 0.300 . 1 . . . . 22 MET CE . 11088 1 217 . 1 1 22 22 MET CG C 13 33.887 0.300 . 1 . . . . 22 MET CG . 11088 1 218 . 1 1 22 22 MET N N 15 120.108 0.300 . 1 . . . . 22 MET N . 11088 1 219 . 1 1 23 23 LYS H H 1 7.554 0.030 . 1 . . . . 23 LYS H . 11088 1 220 . 1 1 23 23 LYS HA H 1 4.277 0.030 . 1 . . . . 23 LYS HA . 11088 1 221 . 1 1 23 23 LYS HB2 H 1 1.905 0.030 . 2 . . . . 23 LYS HB2 . 11088 1 222 . 1 1 23 23 LYS HB3 H 1 1.808 0.030 . 2 . . . . 23 LYS HB3 . 11088 1 223 . 1 1 23 23 LYS HD2 H 1 1.702 0.030 . 1 . . . . 23 LYS HD2 . 11088 1 224 . 1 1 23 23 LYS HD3 H 1 1.702 0.030 . 1 . . . . 23 LYS HD3 . 11088 1 225 . 1 1 23 23 LYS HE2 H 1 2.997 0.030 . 1 . . . . 23 LYS HE2 . 11088 1 226 . 1 1 23 23 LYS HE3 H 1 2.997 0.030 . 1 . . . . 23 LYS HE3 . 11088 1 227 . 1 1 23 23 LYS HG2 H 1 1.403 0.030 . 2 . . . . 23 LYS HG2 . 11088 1 228 . 1 1 23 23 LYS HG3 H 1 1.464 0.030 . 2 . . . . 23 LYS HG3 . 11088 1 229 . 1 1 23 23 LYS CA C 13 56.891 0.300 . 1 . . . . 23 LYS CA . 11088 1 230 . 1 1 23 23 LYS CB C 13 32.101 0.300 . 1 . . . . 23 LYS CB . 11088 1 231 . 1 1 23 23 LYS CD C 13 29.127 0.300 . 1 . . . . 23 LYS CD . 11088 1 232 . 1 1 23 23 LYS CE C 13 42.234 0.300 . 1 . . . . 23 LYS CE . 11088 1 233 . 1 1 23 23 LYS CG C 13 24.945 0.300 . 1 . . . . 23 LYS CG . 11088 1 234 . 1 1 24 24 GLY HA2 H 1 3.857 0.030 . 2 . . . . 24 GLY HA2 . 11088 1 235 . 1 1 24 24 GLY HA3 H 1 4.205 0.030 . 2 . . . . 24 GLY HA3 . 11088 1 236 . 1 1 24 24 GLY C C 13 174.656 0.300 . 1 . . . . 24 GLY C . 11088 1 237 . 1 1 24 24 GLY CA C 13 45.420 0.300 . 1 . . . . 24 GLY CA . 11088 1 238 . 1 1 25 25 GLY H H 1 8.168 0.030 . 1 . . . . 25 GLY H . 11088 1 239 . 1 1 25 25 GLY HA2 H 1 4.037 0.030 . 1 . . . . 25 GLY HA2 . 11088 1 240 . 1 1 25 25 GLY HA3 H 1 4.037 0.030 . 1 . . . . 25 GLY HA3 . 11088 1 241 . 1 1 25 25 GLY C C 13 173.176 0.300 . 1 . . . . 25 GLY C . 11088 1 242 . 1 1 25 25 GLY CA C 13 44.786 0.300 . 1 . . . . 25 GLY CA . 11088 1 243 . 1 1 25 25 GLY N N 15 108.318 0.300 . 1 . . . . 25 GLY N . 11088 1 244 . 1 1 26 26 SER H H 1 8.200 0.030 . 1 . . . . 26 SER H . 11088 1 245 . 1 1 26 26 SER HA H 1 4.574 0.030 . 1 . . . . 26 SER HA . 11088 1 246 . 1 1 26 26 SER HB2 H 1 3.808 0.030 . 1 . . . . 26 SER HB2 . 11088 1 247 . 1 1 26 26 SER HB3 H 1 3.808 0.030 . 1 . . . . 26 SER HB3 . 11088 1 248 . 1 1 26 26 SER C C 13 174.183 0.300 . 1 . . . . 26 SER C . 11088 1 249 . 1 1 26 26 SER CA C 13 57.903 0.300 . 1 . . . . 26 SER CA . 11088 1 250 . 1 1 26 26 SER CB C 13 64.333 0.300 . 1 . . . . 26 SER CB . 11088 1 251 . 1 1 26 26 SER N N 15 114.559 0.300 . 1 . . . . 26 SER N . 11088 1 252 . 1 1 27 27 LYS H H 1 8.354 0.030 . 1 . . . . 27 LYS H . 11088 1 253 . 1 1 27 27 LYS HA H 1 4.529 0.030 . 1 . . . . 27 LYS HA . 11088 1 254 . 1 1 27 27 LYS HB2 H 1 1.728 0.030 . 2 . . . . 27 LYS HB2 . 11088 1 255 . 1 1 27 27 LYS HB3 H 1 1.942 0.030 . 2 . . . . 27 LYS HB3 . 11088 1 256 . 1 1 27 27 LYS HD2 H 1 1.754 0.030 . 1 . . . . 27 LYS HD2 . 11088 1 257 . 1 1 27 27 LYS HD3 H 1 1.754 0.030 . 1 . . . . 27 LYS HD3 . 11088 1 258 . 1 1 27 27 LYS HE2 H 1 3.021 0.030 . 1 . . . . 27 LYS HE2 . 11088 1 259 . 1 1 27 27 LYS HE3 H 1 3.021 0.030 . 1 . . . . 27 LYS HE3 . 11088 1 260 . 1 1 27 27 LYS HG2 H 1 1.383 0.030 . 2 . . . . 27 LYS HG2 . 11088 1 261 . 1 1 27 27 LYS HG3 H 1 0.904 0.030 . 2 . . . . 27 LYS HG3 . 11088 1 262 . 1 1 27 27 LYS C C 13 173.895 0.300 . 1 . . . . 27 LYS C . 11088 1 263 . 1 1 27 27 LYS CA C 13 55.870 0.300 . 1 . . . . 27 LYS CA . 11088 1 264 . 1 1 27 27 LYS CB C 13 34.400 0.300 . 1 . . . . 27 LYS CB . 11088 1 265 . 1 1 27 27 LYS CD C 13 29.088 0.300 . 1 . . . . 27 LYS CD . 11088 1 266 . 1 1 27 27 LYS CE C 13 42.462 0.300 . 1 . . . . 27 LYS CE . 11088 1 267 . 1 1 27 27 LYS CG C 13 25.057 0.300 . 1 . . . . 27 LYS CG . 11088 1 268 . 1 1 27 27 LYS N N 15 121.967 0.300 . 1 . . . . 27 LYS N . 11088 1 269 . 1 1 28 28 GLU H H 1 7.947 0.030 . 1 . . . . 28 GLU H . 11088 1 270 . 1 1 28 28 GLU HA H 1 5.199 0.030 . 1 . . . . 28 GLU HA . 11088 1 271 . 1 1 28 28 GLU HB2 H 1 2.042 0.030 . 2 . . . . 28 GLU HB2 . 11088 1 272 . 1 1 28 28 GLU HB3 H 1 1.917 0.030 . 2 . . . . 28 GLU HB3 . 11088 1 273 . 1 1 28 28 GLU HG2 H 1 2.325 0.030 . 2 . . . . 28 GLU HG2 . 11088 1 274 . 1 1 28 28 GLU HG3 H 1 2.196 0.030 . 2 . . . . 28 GLU HG3 . 11088 1 275 . 1 1 28 28 GLU C C 13 175.069 0.300 . 1 . . . . 28 GLU C . 11088 1 276 . 1 1 28 28 GLU CA C 13 55.553 0.300 . 1 . . . . 28 GLU CA . 11088 1 277 . 1 1 28 28 GLU CB C 13 31.522 0.300 . 1 . . . . 28 GLU CB . 11088 1 278 . 1 1 28 28 GLU CG C 13 36.456 0.300 . 1 . . . . 28 GLU CG . 11088 1 279 . 1 1 28 28 GLU N N 15 120.882 0.300 . 1 . . . . 28 GLU N . 11088 1 280 . 1 1 29 29 TYR H H 1 9.152 0.030 . 1 . . . . 29 TYR H . 11088 1 281 . 1 1 29 29 TYR HA H 1 5.191 0.030 . 1 . . . . 29 TYR HA . 11088 1 282 . 1 1 29 29 TYR HB2 H 1 2.502 0.030 . 2 . . . . 29 TYR HB2 . 11088 1 283 . 1 1 29 29 TYR HB3 H 1 3.321 0.030 . 2 . . . . 29 TYR HB3 . 11088 1 284 . 1 1 29 29 TYR HD1 H 1 7.112 0.030 . 1 . . . . 29 TYR HD1 . 11088 1 285 . 1 1 29 29 TYR HD2 H 1 7.112 0.030 . 1 . . . . 29 TYR HD2 . 11088 1 286 . 1 1 29 29 TYR HE1 H 1 6.806 0.030 . 1 . . . . 29 TYR HE1 . 11088 1 287 . 1 1 29 29 TYR HE2 H 1 6.806 0.030 . 1 . . . . 29 TYR HE2 . 11088 1 288 . 1 1 29 29 TYR C C 13 172.259 0.300 . 1 . . . . 29 TYR C . 11088 1 289 . 1 1 29 29 TYR CA C 13 57.488 0.300 . 1 . . . . 29 TYR CA . 11088 1 290 . 1 1 29 29 TYR CB C 13 43.321 0.300 . 1 . . . . 29 TYR CB . 11088 1 291 . 1 1 29 29 TYR CD1 C 13 133.563 0.300 . 1 . . . . 29 TYR CD1 . 11088 1 292 . 1 1 29 29 TYR CD2 C 13 133.563 0.300 . 1 . . . . 29 TYR CD2 . 11088 1 293 . 1 1 29 29 TYR CE1 C 13 118.192 0.300 . 1 . . . . 29 TYR CE1 . 11088 1 294 . 1 1 29 29 TYR CE2 C 13 118.192 0.300 . 1 . . . . 29 TYR CE2 . 11088 1 295 . 1 1 29 29 TYR N N 15 119.519 0.300 . 1 . . . . 29 TYR N . 11088 1 296 . 1 1 30 30 TRP H H 1 8.380 0.030 . 1 . . . . 30 TRP H . 11088 1 297 . 1 1 30 30 TRP HA H 1 4.436 0.030 . 1 . . . . 30 TRP HA . 11088 1 298 . 1 1 30 30 TRP HB2 H 1 1.421 0.030 . 2 . . . . 30 TRP HB2 . 11088 1 299 . 1 1 30 30 TRP HB3 H 1 2.550 0.030 . 2 . . . . 30 TRP HB3 . 11088 1 300 . 1 1 30 30 TRP HD1 H 1 6.468 0.030 . 1 . . . . 30 TRP HD1 . 11088 1 301 . 1 1 30 30 TRP HE1 H 1 11.059 0.030 . 1 . . . . 30 TRP HE1 . 11088 1 302 . 1 1 30 30 TRP HE3 H 1 5.290 0.030 . 1 . . . . 30 TRP HE3 . 11088 1 303 . 1 1 30 30 TRP HH2 H 1 7.059 0.030 . 1 . . . . 30 TRP HH2 . 11088 1 304 . 1 1 30 30 TRP HZ2 H 1 7.131 0.030 . 1 . . . . 30 TRP HZ2 . 11088 1 305 . 1 1 30 30 TRP HZ3 H 1 6.912 0.030 . 1 . . . . 30 TRP HZ3 . 11088 1 306 . 1 1 30 30 TRP C C 13 175.116 0.300 . 1 . . . . 30 TRP C . 11088 1 307 . 1 1 30 30 TRP CA C 13 55.974 0.300 . 1 . . . . 30 TRP CA . 11088 1 308 . 1 1 30 30 TRP CB C 13 29.543 0.300 . 1 . . . . 30 TRP CB . 11088 1 309 . 1 1 30 30 TRP CD1 C 13 127.754 0.300 . 1 . . . . 30 TRP CD1 . 11088 1 310 . 1 1 30 30 TRP CE3 C 13 119.745 0.300 . 1 . . . . 30 TRP CE3 . 11088 1 311 . 1 1 30 30 TRP CH2 C 13 123.535 0.300 . 1 . . . . 30 TRP CH2 . 11088 1 312 . 1 1 30 30 TRP CZ2 C 13 114.413 0.300 . 1 . . . . 30 TRP CZ2 . 11088 1 313 . 1 1 30 30 TRP CZ3 C 13 121.845 0.300 . 1 . . . . 30 TRP CZ3 . 11088 1 314 . 1 1 30 30 TRP N N 15 123.856 0.300 . 1 . . . . 30 TRP N . 11088 1 315 . 1 1 30 30 TRP NE1 N 15 130.517 0.300 . 1 . . . . 30 TRP NE1 . 11088 1 316 . 1 1 31 31 PHE H H 1 9.127 0.030 . 1 . . . . 31 PHE H . 11088 1 317 . 1 1 31 31 PHE HA H 1 5.210 0.030 . 1 . . . . 31 PHE HA . 11088 1 318 . 1 1 31 31 PHE HB2 H 1 3.130 0.030 . 2 . . . . 31 PHE HB2 . 11088 1 319 . 1 1 31 31 PHE HB3 H 1 2.539 0.030 . 2 . . . . 31 PHE HB3 . 11088 1 320 . 1 1 31 31 PHE HD1 H 1 7.154 0.030 . 1 . . . . 31 PHE HD1 . 11088 1 321 . 1 1 31 31 PHE HD2 H 1 7.154 0.030 . 1 . . . . 31 PHE HD2 . 11088 1 322 . 1 1 31 31 PHE HE1 H 1 6.513 0.030 . 1 . . . . 31 PHE HE1 . 11088 1 323 . 1 1 31 31 PHE HE2 H 1 6.513 0.030 . 1 . . . . 31 PHE HE2 . 11088 1 324 . 1 1 31 31 PHE HZ H 1 5.720 0.030 . 1 . . . . 31 PHE HZ . 11088 1 325 . 1 1 31 31 PHE C C 13 175.295 0.300 . 1 . . . . 31 PHE C . 11088 1 326 . 1 1 31 31 PHE CA C 13 57.312 0.300 . 1 . . . . 31 PHE CA . 11088 1 327 . 1 1 31 31 PHE CB C 13 42.408 0.300 . 1 . . . . 31 PHE CB . 11088 1 328 . 1 1 31 31 PHE CD1 C 13 131.443 0.300 . 1 . . . . 31 PHE CD1 . 11088 1 329 . 1 1 31 31 PHE CD2 C 13 131.443 0.300 . 1 . . . . 31 PHE CD2 . 11088 1 330 . 1 1 31 31 PHE CE1 C 13 131.275 0.300 . 1 . . . . 31 PHE CE1 . 11088 1 331 . 1 1 31 31 PHE CE2 C 13 131.275 0.300 . 1 . . . . 31 PHE CE2 . 11088 1 332 . 1 1 31 31 PHE CZ C 13 128.756 0.300 . 1 . . . . 31 PHE CZ . 11088 1 333 . 1 1 31 31 PHE N N 15 128.653 0.300 . 1 . . . . 31 PHE N . 11088 1 334 . 1 1 32 32 VAL H H 1 9.287 0.030 . 1 . . . . 32 VAL H . 11088 1 335 . 1 1 32 32 VAL HA H 1 4.441 0.030 . 1 . . . . 32 VAL HA . 11088 1 336 . 1 1 32 32 VAL HB H 1 2.139 0.030 . 1 . . . . 32 VAL HB . 11088 1 337 . 1 1 32 32 VAL HG11 H 1 0.952 0.030 . 1 . . . . 32 VAL HG1 . 11088 1 338 . 1 1 32 32 VAL HG12 H 1 0.952 0.030 . 1 . . . . 32 VAL HG1 . 11088 1 339 . 1 1 32 32 VAL HG13 H 1 0.952 0.030 . 1 . . . . 32 VAL HG1 . 11088 1 340 . 1 1 32 32 VAL HG21 H 1 0.872 0.030 . 1 . . . . 32 VAL HG2 . 11088 1 341 . 1 1 32 32 VAL HG22 H 1 0.872 0.030 . 1 . . . . 32 VAL HG2 . 11088 1 342 . 1 1 32 32 VAL HG23 H 1 0.872 0.030 . 1 . . . . 32 VAL HG2 . 11088 1 343 . 1 1 32 32 VAL C C 13 175.394 0.300 . 1 . . . . 32 VAL C . 11088 1 344 . 1 1 32 32 VAL CA C 13 62.348 0.300 . 1 . . . . 32 VAL CA . 11088 1 345 . 1 1 32 32 VAL CB C 13 35.711 0.300 . 1 . . . . 32 VAL CB . 11088 1 346 . 1 1 32 32 VAL CG1 C 13 22.062 0.300 . 2 . . . . 32 VAL CG1 . 11088 1 347 . 1 1 32 32 VAL CG2 C 13 21.704 0.300 . 2 . . . . 32 VAL CG2 . 11088 1 348 . 1 1 32 32 VAL N N 15 117.392 0.300 . 1 . . . . 32 VAL N . 11088 1 349 . 1 1 33 33 LEU H H 1 9.499 0.030 . 1 . . . . 33 LEU H . 11088 1 350 . 1 1 33 33 LEU HA H 1 5.423 0.030 . 1 . . . . 33 LEU HA . 11088 1 351 . 1 1 33 33 LEU HB2 H 1 1.927 0.030 . 2 . . . . 33 LEU HB2 . 11088 1 352 . 1 1 33 33 LEU HB3 H 1 1.296 0.030 . 2 . . . . 33 LEU HB3 . 11088 1 353 . 1 1 33 33 LEU HD11 H 1 0.955 0.030 . 1 . . . . 33 LEU HD1 . 11088 1 354 . 1 1 33 33 LEU HD12 H 1 0.955 0.030 . 1 . . . . 33 LEU HD1 . 11088 1 355 . 1 1 33 33 LEU HD13 H 1 0.955 0.030 . 1 . . . . 33 LEU HD1 . 11088 1 356 . 1 1 33 33 LEU HD21 H 1 0.079 0.030 . 1 . . . . 33 LEU HD2 . 11088 1 357 . 1 1 33 33 LEU HD22 H 1 0.079 0.030 . 1 . . . . 33 LEU HD2 . 11088 1 358 . 1 1 33 33 LEU HD23 H 1 0.079 0.030 . 1 . . . . 33 LEU HD2 . 11088 1 359 . 1 1 33 33 LEU HG H 1 1.319 0.030 . 1 . . . . 33 LEU HG . 11088 1 360 . 1 1 33 33 LEU C C 13 175.449 0.300 . 1 . . . . 33 LEU C . 11088 1 361 . 1 1 33 33 LEU CA C 13 53.759 0.300 . 1 . . . . 33 LEU CA . 11088 1 362 . 1 1 33 33 LEU CB C 13 45.387 0.300 . 1 . . . . 33 LEU CB . 11088 1 363 . 1 1 33 33 LEU CD1 C 13 24.368 0.300 . 2 . . . . 33 LEU CD1 . 11088 1 364 . 1 1 33 33 LEU CD2 C 13 26.247 0.300 . 2 . . . . 33 LEU CD2 . 11088 1 365 . 1 1 33 33 LEU CG C 13 27.436 0.300 . 1 . . . . 33 LEU CG . 11088 1 366 . 1 1 33 33 LEU N N 15 132.924 0.300 . 1 . . . . 33 LEU N . 11088 1 367 . 1 1 34 34 THR H H 1 9.213 0.030 . 1 . . . . 34 THR H . 11088 1 368 . 1 1 34 34 THR HA H 1 4.917 0.030 . 1 . . . . 34 THR HA . 11088 1 369 . 1 1 34 34 THR HB H 1 4.713 0.030 . 1 . . . . 34 THR HB . 11088 1 370 . 1 1 34 34 THR HG21 H 1 1.236 0.030 . 1 . . . . 34 THR HG2 . 11088 1 371 . 1 1 34 34 THR HG22 H 1 1.236 0.030 . 1 . . . . 34 THR HG2 . 11088 1 372 . 1 1 34 34 THR HG23 H 1 1.236 0.030 . 1 . . . . 34 THR HG2 . 11088 1 373 . 1 1 34 34 THR C C 13 171.800 0.300 . 1 . . . . 34 THR C . 11088 1 374 . 1 1 34 34 THR CA C 13 59.529 0.300 . 1 . . . . 34 THR CA . 11088 1 375 . 1 1 34 34 THR CB C 13 71.488 0.300 . 1 . . . . 34 THR CB . 11088 1 376 . 1 1 34 34 THR CG2 C 13 21.751 0.300 . 1 . . . . 34 THR CG2 . 11088 1 377 . 1 1 34 34 THR N N 15 120.573 0.300 . 1 . . . . 34 THR N . 11088 1 378 . 1 1 35 35 ALA H H 1 8.415 0.030 . 1 . . . . 35 ALA H . 11088 1 379 . 1 1 35 35 ALA HA H 1 4.202 0.030 . 1 . . . . 35 ALA HA . 11088 1 380 . 1 1 35 35 ALA HB1 H 1 1.492 0.030 . 1 . . . . 35 ALA HB . 11088 1 381 . 1 1 35 35 ALA HB2 H 1 1.492 0.030 . 1 . . . . 35 ALA HB . 11088 1 382 . 1 1 35 35 ALA HB3 H 1 1.492 0.030 . 1 . . . . 35 ALA HB . 11088 1 383 . 1 1 35 35 ALA C C 13 177.466 0.300 . 1 . . . . 35 ALA C . 11088 1 384 . 1 1 35 35 ALA CA C 13 53.668 0.300 . 1 . . . . 35 ALA CA . 11088 1 385 . 1 1 35 35 ALA CB C 13 18.534 0.300 . 1 . . . . 35 ALA CB . 11088 1 386 . 1 1 35 35 ALA N N 15 114.893 0.300 . 1 . . . . 35 ALA N . 11088 1 387 . 1 1 36 36 GLU H H 1 8.149 0.030 . 1 . . . . 36 GLU H . 11088 1 388 . 1 1 36 36 GLU HA H 1 4.535 0.030 . 1 . . . . 36 GLU HA . 11088 1 389 . 1 1 36 36 GLU HB2 H 1 2.038 0.030 . 2 . . . . 36 GLU HB2 . 11088 1 390 . 1 1 36 36 GLU HB3 H 1 1.935 0.030 . 2 . . . . 36 GLU HB3 . 11088 1 391 . 1 1 36 36 GLU HG2 H 1 2.260 0.030 . 2 . . . . 36 GLU HG2 . 11088 1 392 . 1 1 36 36 GLU HG3 H 1 2.195 0.030 . 2 . . . . 36 GLU HG3 . 11088 1 393 . 1 1 36 36 GLU C C 13 176.829 0.300 . 1 . . . . 36 GLU C . 11088 1 394 . 1 1 36 36 GLU CA C 13 56.714 0.300 . 1 . . . . 36 GLU CA . 11088 1 395 . 1 1 36 36 GLU CB C 13 32.534 0.300 . 1 . . . . 36 GLU CB . 11088 1 396 . 1 1 36 36 GLU CG C 13 36.365 0.300 . 1 . . . . 36 GLU CG . 11088 1 397 . 1 1 36 36 GLU N N 15 112.080 0.300 . 1 . . . . 36 GLU N . 11088 1 398 . 1 1 37 37 SER H H 1 7.979 0.030 . 1 . . . . 37 SER H . 11088 1 399 . 1 1 37 37 SER HA H 1 4.925 0.030 . 1 . . . . 37 SER HA . 11088 1 400 . 1 1 37 37 SER HB2 H 1 3.804 0.030 . 2 . . . . 37 SER HB2 . 11088 1 401 . 1 1 37 37 SER HB3 H 1 3.418 0.030 . 2 . . . . 37 SER HB3 . 11088 1 402 . 1 1 37 37 SER C C 13 171.104 0.300 . 1 . . . . 37 SER C . 11088 1 403 . 1 1 37 37 SER CA C 13 58.086 0.300 . 1 . . . . 37 SER CA . 11088 1 404 . 1 1 37 37 SER CB C 13 66.494 0.300 . 1 . . . . 37 SER CB . 11088 1 405 . 1 1 37 37 SER N N 15 113.793 0.300 . 1 . . . . 37 SER N . 11088 1 406 . 1 1 38 38 LEU H H 1 9.133 0.030 . 1 . . . . 38 LEU H . 11088 1 407 . 1 1 38 38 LEU HA H 1 5.423 0.030 . 1 . . . . 38 LEU HA . 11088 1 408 . 1 1 38 38 LEU HB2 H 1 2.329 0.030 . 2 . . . . 38 LEU HB2 . 11088 1 409 . 1 1 38 38 LEU HB3 H 1 1.472 0.030 . 2 . . . . 38 LEU HB3 . 11088 1 410 . 1 1 38 38 LEU HD11 H 1 1.337 0.030 . 1 . . . . 38 LEU HD1 . 11088 1 411 . 1 1 38 38 LEU HD12 H 1 1.337 0.030 . 1 . . . . 38 LEU HD1 . 11088 1 412 . 1 1 38 38 LEU HD13 H 1 1.337 0.030 . 1 . . . . 38 LEU HD1 . 11088 1 413 . 1 1 38 38 LEU HD21 H 1 1.093 0.030 . 1 . . . . 38 LEU HD2 . 11088 1 414 . 1 1 38 38 LEU HD22 H 1 1.093 0.030 . 1 . . . . 38 LEU HD2 . 11088 1 415 . 1 1 38 38 LEU HD23 H 1 1.093 0.030 . 1 . . . . 38 LEU HD2 . 11088 1 416 . 1 1 38 38 LEU HG H 1 1.927 0.030 . 1 . . . . 38 LEU HG . 11088 1 417 . 1 1 38 38 LEU C C 13 174.878 0.300 . 1 . . . . 38 LEU C . 11088 1 418 . 1 1 38 38 LEU CA C 13 53.759 0.300 . 1 . . . . 38 LEU CA . 11088 1 419 . 1 1 38 38 LEU CB C 13 45.416 0.300 . 1 . . . . 38 LEU CB . 11088 1 420 . 1 1 38 38 LEU CD1 C 13 24.121 0.300 . 2 . . . . 38 LEU CD1 . 11088 1 421 . 1 1 38 38 LEU CD2 C 13 26.095 0.300 . 2 . . . . 38 LEU CD2 . 11088 1 422 . 1 1 38 38 LEU CG C 13 27.904 0.300 . 1 . . . . 38 LEU CG . 11088 1 423 . 1 1 38 38 LEU N N 15 122.482 0.300 . 1 . . . . 38 LEU N . 11088 1 424 . 1 1 39 39 SER H H 1 9.056 0.030 . 1 . . . . 39 SER H . 11088 1 425 . 1 1 39 39 SER HA H 1 5.489 0.030 . 1 . . . . 39 SER HA . 11088 1 426 . 1 1 39 39 SER HB2 H 1 3.700 0.030 . 2 . . . . 39 SER HB2 . 11088 1 427 . 1 1 39 39 SER HB3 H 1 3.461 0.030 . 2 . . . . 39 SER HB3 . 11088 1 428 . 1 1 39 39 SER C C 13 172.388 0.300 . 1 . . . . 39 SER C . 11088 1 429 . 1 1 39 39 SER CA C 13 57.066 0.300 . 1 . . . . 39 SER CA . 11088 1 430 . 1 1 39 39 SER CB C 13 66.476 0.300 . 1 . . . . 39 SER CB . 11088 1 431 . 1 1 39 39 SER N N 15 121.430 0.300 . 1 . . . . 39 SER N . 11088 1 432 . 1 1 40 40 TRP H H 1 7.909 0.030 . 1 . . . . 40 TRP H . 11088 1 433 . 1 1 40 40 TRP HA H 1 5.772 0.030 . 1 . . . . 40 TRP HA . 11088 1 434 . 1 1 40 40 TRP HB2 H 1 1.873 0.030 . 2 . . . . 40 TRP HB2 . 11088 1 435 . 1 1 40 40 TRP HB3 H 1 1.605 0.030 . 2 . . . . 40 TRP HB3 . 11088 1 436 . 1 1 40 40 TRP HD1 H 1 5.582 0.030 . 1 . . . . 40 TRP HD1 . 11088 1 437 . 1 1 40 40 TRP HE1 H 1 9.034 0.030 . 1 . . . . 40 TRP HE1 . 11088 1 438 . 1 1 40 40 TRP HE3 H 1 6.859 0.030 . 1 . . . . 40 TRP HE3 . 11088 1 439 . 1 1 40 40 TRP HH2 H 1 6.277 0.030 . 1 . . . . 40 TRP HH2 . 11088 1 440 . 1 1 40 40 TRP HZ2 H 1 5.854 0.030 . 1 . . . . 40 TRP HZ2 . 11088 1 441 . 1 1 40 40 TRP HZ3 H 1 6.712 0.030 . 1 . . . . 40 TRP HZ3 . 11088 1 442 . 1 1 40 40 TRP C C 13 174.852 0.300 . 1 . . . . 40 TRP C . 11088 1 443 . 1 1 40 40 TRP CA C 13 55.527 0.300 . 1 . . . . 40 TRP CA . 11088 1 444 . 1 1 40 40 TRP CB C 13 30.289 0.300 . 1 . . . . 40 TRP CB . 11088 1 445 . 1 1 40 40 TRP CD1 C 13 126.285 0.300 . 1 . . . . 40 TRP CD1 . 11088 1 446 . 1 1 40 40 TRP CE3 C 13 122.311 0.300 . 1 . . . . 40 TRP CE3 . 11088 1 447 . 1 1 40 40 TRP CH2 C 13 123.535 0.300 . 1 . . . . 40 TRP CH2 . 11088 1 448 . 1 1 40 40 TRP CZ2 C 13 113.720 0.300 . 1 . . . . 40 TRP CZ2 . 11088 1 449 . 1 1 40 40 TRP CZ3 C 13 119.813 0.300 . 1 . . . . 40 TRP CZ3 . 11088 1 450 . 1 1 40 40 TRP N N 15 117.995 0.300 . 1 . . . . 40 TRP N . 11088 1 451 . 1 1 40 40 TRP NE1 N 15 126.879 0.300 . 1 . . . . 40 TRP NE1 . 11088 1 452 . 1 1 41 41 TYR H H 1 9.604 0.030 . 1 . . . . 41 TYR H . 11088 1 453 . 1 1 41 41 TYR HA H 1 5.245 0.030 . 1 . . . . 41 TYR HA . 11088 1 454 . 1 1 41 41 TYR HB2 H 1 3.228 0.030 . 2 . . . . 41 TYR HB2 . 11088 1 455 . 1 1 41 41 TYR HB3 H 1 3.316 0.030 . 2 . . . . 41 TYR HB3 . 11088 1 456 . 1 1 41 41 TYR HD1 H 1 6.963 0.030 . 1 . . . . 41 TYR HD1 . 11088 1 457 . 1 1 41 41 TYR HD2 H 1 6.963 0.030 . 1 . . . . 41 TYR HD2 . 11088 1 458 . 1 1 41 41 TYR HE1 H 1 6.665 0.030 . 1 . . . . 41 TYR HE1 . 11088 1 459 . 1 1 41 41 TYR HE2 H 1 6.665 0.030 . 1 . . . . 41 TYR HE2 . 11088 1 460 . 1 1 41 41 TYR C C 13 175.718 0.300 . 1 . . . . 41 TYR C . 11088 1 461 . 1 1 41 41 TYR CA C 13 56.679 0.300 . 1 . . . . 41 TYR CA . 11088 1 462 . 1 1 41 41 TYR CB C 13 43.857 0.300 . 1 . . . . 41 TYR CB . 11088 1 463 . 1 1 41 41 TYR CE1 C 13 118.611 0.300 . 1 . . . . 41 TYR CE1 . 11088 1 464 . 1 1 41 41 TYR CE2 C 13 118.611 0.300 . 1 . . . . 41 TYR CE2 . 11088 1 465 . 1 1 41 41 TYR N N 15 118.623 0.300 . 1 . . . . 41 TYR N . 11088 1 466 . 1 1 42 42 LYS H H 1 8.789 0.030 . 1 . . . . 42 LYS H . 11088 1 467 . 1 1 42 42 LYS HA H 1 4.457 0.030 . 1 . . . . 42 LYS HA . 11088 1 468 . 1 1 42 42 LYS HB2 H 1 2.099 0.030 . 2 . . . . 42 LYS HB2 . 11088 1 469 . 1 1 42 42 LYS HB3 H 1 2.061 0.030 . 2 . . . . 42 LYS HB3 . 11088 1 470 . 1 1 42 42 LYS HD2 H 1 1.798 0.030 . 2 . . . . 42 LYS HD2 . 11088 1 471 . 1 1 42 42 LYS HD3 H 1 1.907 0.030 . 2 . . . . 42 LYS HD3 . 11088 1 472 . 1 1 42 42 LYS HE2 H 1 3.107 0.030 . 1 . . . . 42 LYS HE2 . 11088 1 473 . 1 1 42 42 LYS HE3 H 1 3.107 0.030 . 1 . . . . 42 LYS HE3 . 11088 1 474 . 1 1 42 42 LYS HG2 H 1 1.601 0.030 . 2 . . . . 42 LYS HG2 . 11088 1 475 . 1 1 42 42 LYS HG3 H 1 1.752 0.030 . 2 . . . . 42 LYS HG3 . 11088 1 476 . 1 1 42 42 LYS C C 13 175.506 0.300 . 1 . . . . 42 LYS C . 11088 1 477 . 1 1 42 42 LYS CA C 13 59.544 0.300 . 1 . . . . 42 LYS CA . 11088 1 478 . 1 1 42 42 LYS CB C 13 34.424 0.300 . 1 . . . . 42 LYS CB . 11088 1 479 . 1 1 42 42 LYS CD C 13 29.631 0.300 . 1 . . . . 42 LYS CD . 11088 1 480 . 1 1 42 42 LYS CE C 13 42.130 0.300 . 1 . . . . 42 LYS CE . 11088 1 481 . 1 1 42 42 LYS CG C 13 25.190 0.300 . 1 . . . . 42 LYS CG . 11088 1 482 . 1 1 42 42 LYS N N 15 119.616 0.300 . 1 . . . . 42 LYS N . 11088 1 483 . 1 1 43 43 ASP H H 1 8.008 0.030 . 1 . . . . 43 ASP H . 11088 1 484 . 1 1 43 43 ASP HA H 1 4.808 0.030 . 1 . . . . 43 ASP HA . 11088 1 485 . 1 1 43 43 ASP HB2 H 1 3.179 0.030 . 2 . . . . 43 ASP HB2 . 11088 1 486 . 1 1 43 43 ASP HB3 H 1 3.067 0.030 . 2 . . . . 43 ASP HB3 . 11088 1 487 . 1 1 43 43 ASP C C 13 174.828 0.300 . 1 . . . . 43 ASP C . 11088 1 488 . 1 1 43 43 ASP CA C 13 52.949 0.300 . 1 . . . . 43 ASP CA . 11088 1 489 . 1 1 43 43 ASP CB C 13 42.187 0.300 . 1 . . . . 43 ASP CB . 11088 1 490 . 1 1 43 43 ASP N N 15 110.313 0.300 . 1 . . . . 43 ASP N . 11088 1 491 . 1 1 44 44 GLU H H 1 8.467 0.030 . 1 . . . . 44 GLU H . 11088 1 492 . 1 1 44 44 GLU HA H 1 1.651 0.030 . 1 . . . . 44 GLU HA . 11088 1 493 . 1 1 44 44 GLU HB2 H 1 0.923 0.030 . 2 . . . . 44 GLU HB2 . 11088 1 494 . 1 1 44 44 GLU HB3 H 1 0.876 0.030 . 2 . . . . 44 GLU HB3 . 11088 1 495 . 1 1 44 44 GLU HG2 H 1 1.161 0.030 . 2 . . . . 44 GLU HG2 . 11088 1 496 . 1 1 44 44 GLU HG3 H 1 0.995 0.030 . 2 . . . . 44 GLU HG3 . 11088 1 497 . 1 1 44 44 GLU C C 13 176.611 0.300 . 1 . . . . 44 GLU C . 11088 1 498 . 1 1 44 44 GLU CA C 13 56.855 0.300 . 1 . . . . 44 GLU CA . 11088 1 499 . 1 1 44 44 GLU CB C 13 28.007 0.300 . 1 . . . . 44 GLU CB . 11088 1 500 . 1 1 44 44 GLU CG C 13 35.158 0.300 . 1 . . . . 44 GLU CG . 11088 1 501 . 1 1 44 44 GLU N N 15 116.083 0.300 . 1 . . . . 44 GLU N . 11088 1 502 . 1 1 45 45 GLU H H 1 8.007 0.030 . 1 . . . . 45 GLU H . 11088 1 503 . 1 1 45 45 GLU HA H 1 3.868 0.030 . 1 . . . . 45 GLU HA . 11088 1 504 . 1 1 45 45 GLU HB2 H 1 2.072 0.030 . 2 . . . . 45 GLU HB2 . 11088 1 505 . 1 1 45 45 GLU HB3 H 1 1.944 0.030 . 2 . . . . 45 GLU HB3 . 11088 1 506 . 1 1 45 45 GLU HG2 H 1 2.235 0.030 . 2 . . . . 45 GLU HG2 . 11088 1 507 . 1 1 45 45 GLU HG3 H 1 2.071 0.030 . 2 . . . . 45 GLU HG3 . 11088 1 508 . 1 1 45 45 GLU C C 13 176.616 0.300 . 1 . . . . 45 GLU C . 11088 1 509 . 1 1 45 45 GLU CA C 13 57.531 0.300 . 1 . . . . 45 GLU CA . 11088 1 510 . 1 1 45 45 GLU CB C 13 29.137 0.300 . 1 . . . . 45 GLU CB . 11088 1 511 . 1 1 45 45 GLU CG C 13 37.184 0.300 . 1 . . . . 45 GLU CG . 11088 1 512 . 1 1 45 45 GLU N N 15 118.000 0.300 . 1 . . . . 45 GLU N . 11088 1 513 . 1 1 46 46 GLU H H 1 7.699 0.030 . 1 . . . . 46 GLU H . 11088 1 514 . 1 1 46 46 GLU HA H 1 2.788 0.030 . 1 . . . . 46 GLU HA . 11088 1 515 . 1 1 46 46 GLU HB2 H 1 1.685 0.030 . 2 . . . . 46 GLU HB2 . 11088 1 516 . 1 1 46 46 GLU HB3 H 1 1.280 0.030 . 2 . . . . 46 GLU HB3 . 11088 1 517 . 1 1 46 46 GLU HG2 H 1 1.796 0.030 . 2 . . . . 46 GLU HG2 . 11088 1 518 . 1 1 46 46 GLU HG3 H 1 1.131 0.030 . 2 . . . . 46 GLU HG3 . 11088 1 519 . 1 1 46 46 GLU C C 13 174.674 0.300 . 1 . . . . 46 GLU C . 11088 1 520 . 1 1 46 46 GLU CA C 13 57.316 0.300 . 1 . . . . 46 GLU CA . 11088 1 521 . 1 1 46 46 GLU CB C 13 25.355 0.300 . 1 . . . . 46 GLU CB . 11088 1 522 . 1 1 46 46 GLU CG C 13 36.493 0.300 . 1 . . . . 46 GLU CG . 11088 1 523 . 1 1 46 46 GLU N N 15 111.231 0.300 . 1 . . . . 46 GLU N . 11088 1 524 . 1 1 47 47 LYS H H 1 8.816 0.030 . 1 . . . . 47 LYS H . 11088 1 525 . 1 1 47 47 LYS HA H 1 4.436 0.030 . 1 . . . . 47 LYS HA . 11088 1 526 . 1 1 47 47 LYS HB2 H 1 1.857 0.030 . 2 . . . . 47 LYS HB2 . 11088 1 527 . 1 1 47 47 LYS HB3 H 1 1.804 0.030 . 2 . . . . 47 LYS HB3 . 11088 1 528 . 1 1 47 47 LYS HD2 H 1 1.645 0.030 . 1 . . . . 47 LYS HD2 . 11088 1 529 . 1 1 47 47 LYS HD3 H 1 1.645 0.030 . 1 . . . . 47 LYS HD3 . 11088 1 530 . 1 1 47 47 LYS HE2 H 1 2.949 0.030 . 1 . . . . 47 LYS HE2 . 11088 1 531 . 1 1 47 47 LYS HE3 H 1 2.949 0.030 . 1 . . . . 47 LYS HE3 . 11088 1 532 . 1 1 47 47 LYS HG2 H 1 1.306 0.030 . 2 . . . . 47 LYS HG2 . 11088 1 533 . 1 1 47 47 LYS HG3 H 1 1.405 0.030 . 2 . . . . 47 LYS HG3 . 11088 1 534 . 1 1 47 47 LYS C C 13 177.540 0.300 . 1 . . . . 47 LYS C . 11088 1 535 . 1 1 47 47 LYS CA C 13 57.242 0.300 . 1 . . . . 47 LYS CA . 11088 1 536 . 1 1 47 47 LYS CB C 13 34.020 0.300 . 1 . . . . 47 LYS CB . 11088 1 537 . 1 1 47 47 LYS CD C 13 28.973 0.300 . 1 . . . . 47 LYS CD . 11088 1 538 . 1 1 47 47 LYS CE C 13 42.295 0.300 . 1 . . . . 47 LYS CE . 11088 1 539 . 1 1 47 47 LYS CG C 13 25.152 0.300 . 1 . . . . 47 LYS CG . 11088 1 540 . 1 1 47 47 LYS N N 15 117.679 0.300 . 1 . . . . 47 LYS N . 11088 1 541 . 1 1 48 48 GLU H H 1 8.350 0.030 . 1 . . . . 48 GLU H . 11088 1 542 . 1 1 48 48 GLU HA H 1 4.660 0.030 . 1 . . . . 48 GLU HA . 11088 1 543 . 1 1 48 48 GLU HB2 H 1 2.076 0.030 . 2 . . . . 48 GLU HB2 . 11088 1 544 . 1 1 48 48 GLU HB3 H 1 1.992 0.030 . 2 . . . . 48 GLU HB3 . 11088 1 545 . 1 1 48 48 GLU HG2 H 1 2.051 0.030 . 2 . . . . 48 GLU HG2 . 11088 1 546 . 1 1 48 48 GLU HG3 H 1 2.232 0.030 . 2 . . . . 48 GLU HG3 . 11088 1 547 . 1 1 48 48 GLU C C 13 174.372 0.300 . 1 . . . . 48 GLU C . 11088 1 548 . 1 1 48 48 GLU CA C 13 55.025 0.300 . 1 . . . . 48 GLU CA . 11088 1 549 . 1 1 48 48 GLU CB C 13 30.289 0.300 . 1 . . . . 48 GLU CB . 11088 1 550 . 1 1 48 48 GLU CG C 13 36.371 0.300 . 1 . . . . 48 GLU CG . 11088 1 551 . 1 1 48 48 GLU N N 15 121.326 0.300 . 1 . . . . 48 GLU N . 11088 1 552 . 1 1 49 49 LYS H H 1 8.845 0.030 . 1 . . . . 49 LYS H . 11088 1 553 . 1 1 49 49 LYS HA H 1 3.652 0.030 . 1 . . . . 49 LYS HA . 11088 1 554 . 1 1 49 49 LYS HB2 H 1 1.474 0.030 . 2 . . . . 49 LYS HB2 . 11088 1 555 . 1 1 49 49 LYS HB3 H 1 1.619 0.030 . 2 . . . . 49 LYS HB3 . 11088 1 556 . 1 1 49 49 LYS HD2 H 1 1.379 0.030 . 1 . . . . 49 LYS HD2 . 11088 1 557 . 1 1 49 49 LYS HD3 H 1 1.379 0.030 . 1 . . . . 49 LYS HD3 . 11088 1 558 . 1 1 49 49 LYS HE2 H 1 2.780 0.030 . 2 . . . . 49 LYS HE2 . 11088 1 559 . 1 1 49 49 LYS HE3 H 1 2.732 0.030 . 2 . . . . 49 LYS HE3 . 11088 1 560 . 1 1 49 49 LYS HG2 H 1 0.387 0.030 . 2 . . . . 49 LYS HG2 . 11088 1 561 . 1 1 49 49 LYS HG3 H 1 0.737 0.030 . 2 . . . . 49 LYS HG3 . 11088 1 562 . 1 1 49 49 LYS C C 13 176.299 0.300 . 1 . . . . 49 LYS C . 11088 1 563 . 1 1 49 49 LYS CA C 13 57.137 0.300 . 1 . . . . 49 LYS CA . 11088 1 564 . 1 1 49 49 LYS CB C 13 32.656 0.300 . 1 . . . . 49 LYS CB . 11088 1 565 . 1 1 49 49 LYS CD C 13 29.437 0.300 . 1 . . . . 49 LYS CD . 11088 1 566 . 1 1 49 49 LYS CE C 13 41.471 0.300 . 1 . . . . 49 LYS CE . 11088 1 567 . 1 1 49 49 LYS CG C 13 24.705 0.300 . 1 . . . . 49 LYS CG . 11088 1 568 . 1 1 49 49 LYS N N 15 128.517 0.300 . 1 . . . . 49 LYS N . 11088 1 569 . 1 1 50 50 LYS H H 1 9.355 0.030 . 1 . . . . 50 LYS H . 11088 1 570 . 1 1 50 50 LYS HA H 1 4.232 0.030 . 1 . . . . 50 LYS HA . 11088 1 571 . 1 1 50 50 LYS HB2 H 1 1.385 0.030 . 2 . . . . 50 LYS HB2 . 11088 1 572 . 1 1 50 50 LYS HB3 H 1 1.113 0.030 . 2 . . . . 50 LYS HB3 . 11088 1 573 . 1 1 50 50 LYS HD2 H 1 1.645 0.030 . 1 . . . . 50 LYS HD2 . 11088 1 574 . 1 1 50 50 LYS HD3 H 1 1.645 0.030 . 1 . . . . 50 LYS HD3 . 11088 1 575 . 1 1 50 50 LYS HE2 H 1 2.909 0.030 . 2 . . . . 50 LYS HE2 . 11088 1 576 . 1 1 50 50 LYS HE3 H 1 3.120 0.030 . 2 . . . . 50 LYS HE3 . 11088 1 577 . 1 1 50 50 LYS HG2 H 1 1.222 0.030 . 1 . . . . 50 LYS HG2 . 11088 1 578 . 1 1 50 50 LYS HG3 H 1 1.222 0.030 . 1 . . . . 50 LYS HG3 . 11088 1 579 . 1 1 50 50 LYS C C 13 176.497 0.300 . 1 . . . . 50 LYS C . 11088 1 580 . 1 1 50 50 LYS CA C 13 55.096 0.300 . 1 . . . . 50 LYS CA . 11088 1 581 . 1 1 50 50 LYS CB C 13 31.138 0.300 . 1 . . . . 50 LYS CB . 11088 1 582 . 1 1 50 50 LYS CD C 13 27.246 0.300 . 1 . . . . 50 LYS CD . 11088 1 583 . 1 1 50 50 LYS CE C 13 41.719 0.300 . 1 . . . . 50 LYS CE . 11088 1 584 . 1 1 50 50 LYS CG C 13 23.381 0.300 . 1 . . . . 50 LYS CG . 11088 1 585 . 1 1 50 50 LYS N N 15 127.325 0.300 . 1 . . . . 50 LYS N . 11088 1 586 . 1 1 51 51 TYR H H 1 6.696 0.030 . 1 . . . . 51 TYR H . 11088 1 587 . 1 1 51 51 TYR HA H 1 3.822 0.030 . 1 . . . . 51 TYR HA . 11088 1 588 . 1 1 51 51 TYR HB2 H 1 1.849 0.030 . 2 . . . . 51 TYR HB2 . 11088 1 589 . 1 1 51 51 TYR HB3 H 1 0.011 0.030 . 2 . . . . 51 TYR HB3 . 11088 1 590 . 1 1 51 51 TYR HD1 H 1 6.857 0.030 . 1 . . . . 51 TYR HD1 . 11088 1 591 . 1 1 51 51 TYR HD2 H 1 6.857 0.030 . 1 . . . . 51 TYR HD2 . 11088 1 592 . 1 1 51 51 TYR HE1 H 1 6.950 0.030 . 1 . . . . 51 TYR HE1 . 11088 1 593 . 1 1 51 51 TYR HE2 H 1 6.950 0.030 . 1 . . . . 51 TYR HE2 . 11088 1 594 . 1 1 51 51 TYR C C 13 171.269 0.300 . 1 . . . . 51 TYR C . 11088 1 595 . 1 1 51 51 TYR CA C 13 58.636 0.300 . 1 . . . . 51 TYR CA . 11088 1 596 . 1 1 51 51 TYR CB C 13 40.757 0.300 . 1 . . . . 51 TYR CB . 11088 1 597 . 1 1 51 51 TYR CD1 C 13 133.920 0.300 . 1 . . . . 51 TYR CD1 . 11088 1 598 . 1 1 51 51 TYR CD2 C 13 133.920 0.300 . 1 . . . . 51 TYR CD2 . 11088 1 599 . 1 1 51 51 TYR CE1 C 13 118.381 0.300 . 1 . . . . 51 TYR CE1 . 11088 1 600 . 1 1 51 51 TYR CE2 C 13 118.381 0.300 . 1 . . . . 51 TYR CE2 . 11088 1 601 . 1 1 51 51 TYR N N 15 117.395 0.300 . 1 . . . . 51 TYR N . 11088 1 602 . 1 1 52 52 MET H H 1 6.213 0.030 . 1 . . . . 52 MET H . 11088 1 603 . 1 1 52 52 MET HA H 1 4.519 0.030 . 1 . . . . 52 MET HA . 11088 1 604 . 1 1 52 52 MET HB2 H 1 1.409 0.030 . 2 . . . . 52 MET HB2 . 11088 1 605 . 1 1 52 52 MET HB3 H 1 1.694 0.030 . 2 . . . . 52 MET HB3 . 11088 1 606 . 1 1 52 52 MET HE1 H 1 1.901 0.030 . 1 . . . . 52 MET HE . 11088 1 607 . 1 1 52 52 MET HE2 H 1 1.901 0.030 . 1 . . . . 52 MET HE . 11088 1 608 . 1 1 52 52 MET HE3 H 1 1.901 0.030 . 1 . . . . 52 MET HE . 11088 1 609 . 1 1 52 52 MET HG2 H 1 2.369 0.030 . 2 . . . . 52 MET HG2 . 11088 1 610 . 1 1 52 52 MET HG3 H 1 1.984 0.030 . 2 . . . . 52 MET HG3 . 11088 1 611 . 1 1 52 52 MET C C 13 171.721 0.300 . 1 . . . . 52 MET C . 11088 1 612 . 1 1 52 52 MET CA C 13 55.025 0.300 . 1 . . . . 52 MET CA . 11088 1 613 . 1 1 52 52 MET CB C 13 35.305 0.300 . 1 . . . . 52 MET CB . 11088 1 614 . 1 1 52 52 MET CE C 13 16.903 0.300 . 1 . . . . 52 MET CE . 11088 1 615 . 1 1 52 52 MET CG C 13 31.275 0.300 . 1 . . . . 52 MET CG . 11088 1 616 . 1 1 52 52 MET N N 15 121.526 0.300 . 1 . . . . 52 MET N . 11088 1 617 . 1 1 53 53 LEU H H 1 9.315 0.030 . 1 . . . . 53 LEU H . 11088 1 618 . 1 1 53 53 LEU HA H 1 5.053 0.030 . 1 . . . . 53 LEU HA . 11088 1 619 . 1 1 53 53 LEU HB2 H 1 1.694 0.030 . 2 . . . . 53 LEU HB2 . 11088 1 620 . 1 1 53 53 LEU HB3 H 1 2.450 0.030 . 2 . . . . 53 LEU HB3 . 11088 1 621 . 1 1 53 53 LEU HD11 H 1 1.294 0.030 . 1 . . . . 53 LEU HD1 . 11088 1 622 . 1 1 53 53 LEU HD12 H 1 1.294 0.030 . 1 . . . . 53 LEU HD1 . 11088 1 623 . 1 1 53 53 LEU HD13 H 1 1.294 0.030 . 1 . . . . 53 LEU HD1 . 11088 1 624 . 1 1 53 53 LEU HD21 H 1 1.151 0.030 . 1 . . . . 53 LEU HD2 . 11088 1 625 . 1 1 53 53 LEU HD22 H 1 1.151 0.030 . 1 . . . . 53 LEU HD2 . 11088 1 626 . 1 1 53 53 LEU HD23 H 1 1.151 0.030 . 1 . . . . 53 LEU HD2 . 11088 1 627 . 1 1 53 53 LEU HG H 1 2.030 0.030 . 1 . . . . 53 LEU HG . 11088 1 628 . 1 1 53 53 LEU C C 13 173.353 0.300 . 1 . . . . 53 LEU C . 11088 1 629 . 1 1 53 53 LEU CA C 13 51.120 0.300 . 1 . . . . 53 LEU CA . 11088 1 630 . 1 1 53 53 LEU CB C 13 45.666 0.300 . 1 . . . . 53 LEU CB . 11088 1 631 . 1 1 53 53 LEU CD1 C 13 25.074 0.300 . 2 . . . . 53 LEU CD1 . 11088 1 632 . 1 1 53 53 LEU CD2 C 13 26.585 0.300 . 2 . . . . 53 LEU CD2 . 11088 1 633 . 1 1 53 53 LEU CG C 13 26.557 0.300 . 1 . . . . 53 LEU CG . 11088 1 634 . 1 1 53 53 LEU N N 15 128.567 0.300 . 1 . . . . 53 LEU N . 11088 1 635 . 1 1 54 54 PRO HA H 1 4.591 0.030 . 1 . . . . 54 PRO HA . 11088 1 636 . 1 1 54 54 PRO HB2 H 1 2.011 0.030 . 2 . . . . 54 PRO HB2 . 11088 1 637 . 1 1 54 54 PRO HB3 H 1 2.523 0.030 . 2 . . . . 54 PRO HB3 . 11088 1 638 . 1 1 54 54 PRO HD2 H 1 3.799 0.030 . 2 . . . . 54 PRO HD2 . 11088 1 639 . 1 1 54 54 PRO HD3 H 1 4.021 0.030 . 2 . . . . 54 PRO HD3 . 11088 1 640 . 1 1 54 54 PRO HG2 H 1 2.175 0.030 . 2 . . . . 54 PRO HG2 . 11088 1 641 . 1 1 54 54 PRO HG3 H 1 1.940 0.030 . 2 . . . . 54 PRO HG3 . 11088 1 642 . 1 1 54 54 PRO C C 13 177.047 0.300 . 1 . . . . 54 PRO C . 11088 1 643 . 1 1 54 54 PRO CA C 13 62.449 0.300 . 1 . . . . 54 PRO CA . 11088 1 644 . 1 1 54 54 PRO CB C 13 32.427 0.300 . 1 . . . . 54 PRO CB . 11088 1 645 . 1 1 54 54 PRO CD C 13 51.243 0.300 . 1 . . . . 54 PRO CD . 11088 1 646 . 1 1 54 54 PRO CG C 13 27.910 0.300 . 1 . . . . 54 PRO CG . 11088 1 647 . 1 1 55 55 LEU H H 1 7.593 0.030 . 1 . . . . 55 LEU H . 11088 1 648 . 1 1 55 55 LEU HA H 1 4.242 0.030 . 1 . . . . 55 LEU HA . 11088 1 649 . 1 1 55 55 LEU HB2 H 1 1.621 0.030 . 2 . . . . 55 LEU HB2 . 11088 1 650 . 1 1 55 55 LEU HB3 H 1 1.558 0.030 . 2 . . . . 55 LEU HB3 . 11088 1 651 . 1 1 55 55 LEU HD11 H 1 0.934 0.030 . 1 . . . . 55 LEU HD1 . 11088 1 652 . 1 1 55 55 LEU HD12 H 1 0.934 0.030 . 1 . . . . 55 LEU HD1 . 11088 1 653 . 1 1 55 55 LEU HD13 H 1 0.934 0.030 . 1 . . . . 55 LEU HD1 . 11088 1 654 . 1 1 55 55 LEU HD21 H 1 0.831 0.030 . 1 . . . . 55 LEU HD2 . 11088 1 655 . 1 1 55 55 LEU HD22 H 1 0.831 0.030 . 1 . . . . 55 LEU HD2 . 11088 1 656 . 1 1 55 55 LEU HD23 H 1 0.831 0.030 . 1 . . . . 55 LEU HD2 . 11088 1 657 . 1 1 55 55 LEU HG H 1 1.337 0.030 . 1 . . . . 55 LEU HG . 11088 1 658 . 1 1 55 55 LEU C C 13 177.458 0.300 . 1 . . . . 55 LEU C . 11088 1 659 . 1 1 55 55 LEU CA C 13 55.412 0.300 . 1 . . . . 55 LEU CA . 11088 1 660 . 1 1 55 55 LEU CB C 13 40.897 0.300 . 1 . . . . 55 LEU CB . 11088 1 661 . 1 1 55 55 LEU CD1 C 13 26.219 0.300 . 2 . . . . 55 LEU CD1 . 11088 1 662 . 1 1 55 55 LEU CD2 C 13 22.562 0.300 . 2 . . . . 55 LEU CD2 . 11088 1 663 . 1 1 55 55 LEU CG C 13 27.141 0.300 . 1 . . . . 55 LEU CG . 11088 1 664 . 1 1 55 55 LEU N N 15 117.890 0.300 . 1 . . . . 55 LEU N . 11088 1 665 . 1 1 56 56 ASP H H 1 7.753 0.030 . 1 . . . . 56 ASP H . 11088 1 666 . 1 1 56 56 ASP HA H 1 4.218 0.030 . 1 . . . . 56 ASP HA . 11088 1 667 . 1 1 56 56 ASP HB2 H 1 2.497 0.030 . 2 . . . . 56 ASP HB2 . 11088 1 668 . 1 1 56 56 ASP HB3 H 1 2.437 0.030 . 2 . . . . 56 ASP HB3 . 11088 1 669 . 1 1 56 56 ASP C C 13 176.047 0.300 . 1 . . . . 56 ASP C . 11088 1 670 . 1 1 56 56 ASP CA C 13 55.623 0.300 . 1 . . . . 56 ASP CA . 11088 1 671 . 1 1 56 56 ASP CB C 13 40.973 0.300 . 1 . . . . 56 ASP CB . 11088 1 672 . 1 1 56 56 ASP N N 15 117.672 0.300 . 1 . . . . 56 ASP N . 11088 1 673 . 1 1 57 57 ASN H H 1 8.935 0.030 . 1 . . . . 57 ASN H . 11088 1 674 . 1 1 57 57 ASN HA H 1 4.359 0.030 . 1 . . . . 57 ASN HA . 11088 1 675 . 1 1 57 57 ASN HB2 H 1 3.156 0.030 . 2 . . . . 57 ASN HB2 . 11088 1 676 . 1 1 57 57 ASN HB3 H 1 3.038 0.030 . 2 . . . . 57 ASN HB3 . 11088 1 677 . 1 1 57 57 ASN HD21 H 1 6.894 0.030 . 2 . . . . 57 ASN HD21 . 11088 1 678 . 1 1 57 57 ASN HD22 H 1 7.596 0.030 . 2 . . . . 57 ASN HD22 . 11088 1 679 . 1 1 57 57 ASN C C 13 173.066 0.300 . 1 . . . . 57 ASN C . 11088 1 680 . 1 1 57 57 ASN CA C 13 54.779 0.300 . 1 . . . . 57 ASN CA . 11088 1 681 . 1 1 57 57 ASN CB C 13 37.525 0.300 . 1 . . . . 57 ASN CB . 11088 1 682 . 1 1 57 57 ASN N N 15 114.891 0.300 . 1 . . . . 57 ASN N . 11088 1 683 . 1 1 57 57 ASN ND2 N 15 114.174 0.300 . 1 . . . . 57 ASN ND2 . 11088 1 684 . 1 1 58 58 LEU H H 1 7.550 0.030 . 1 . . . . 58 LEU H . 11088 1 685 . 1 1 58 58 LEU HA H 1 5.160 0.030 . 1 . . . . 58 LEU HA . 11088 1 686 . 1 1 58 58 LEU HB2 H 1 1.790 0.030 . 2 . . . . 58 LEU HB2 . 11088 1 687 . 1 1 58 58 LEU HB3 H 1 1.133 0.030 . 2 . . . . 58 LEU HB3 . 11088 1 688 . 1 1 58 58 LEU HD11 H 1 0.935 0.030 . 1 . . . . 58 LEU HD1 . 11088 1 689 . 1 1 58 58 LEU HD12 H 1 0.935 0.030 . 1 . . . . 58 LEU HD1 . 11088 1 690 . 1 1 58 58 LEU HD13 H 1 0.935 0.030 . 1 . . . . 58 LEU HD1 . 11088 1 691 . 1 1 58 58 LEU HD21 H 1 0.766 0.030 . 1 . . . . 58 LEU HD2 . 11088 1 692 . 1 1 58 58 LEU HD22 H 1 0.766 0.030 . 1 . . . . 58 LEU HD2 . 11088 1 693 . 1 1 58 58 LEU HD23 H 1 0.766 0.030 . 1 . . . . 58 LEU HD2 . 11088 1 694 . 1 1 58 58 LEU HG H 1 1.657 0.030 . 1 . . . . 58 LEU HG . 11088 1 695 . 1 1 58 58 LEU C C 13 176.951 0.300 . 1 . . . . 58 LEU C . 11088 1 696 . 1 1 58 58 LEU CA C 13 54.146 0.300 . 1 . . . . 58 LEU CA . 11088 1 697 . 1 1 58 58 LEU CB C 13 43.302 0.300 . 1 . . . . 58 LEU CB . 11088 1 698 . 1 1 58 58 LEU CD1 C 13 26.614 0.300 . 2 . . . . 58 LEU CD1 . 11088 1 699 . 1 1 58 58 LEU CD2 C 13 22.591 0.300 . 2 . . . . 58 LEU CD2 . 11088 1 700 . 1 1 58 58 LEU CG C 13 26.214 0.300 . 1 . . . . 58 LEU CG . 11088 1 701 . 1 1 58 58 LEU N N 15 116.390 0.300 . 1 . . . . 58 LEU N . 11088 1 702 . 1 1 59 59 LYS H H 1 8.261 0.030 . 1 . . . . 59 LYS H . 11088 1 703 . 1 1 59 59 LYS HA H 1 4.266 0.030 . 1 . . . . 59 LYS HA . 11088 1 704 . 1 1 59 59 LYS HB2 H 1 0.758 0.030 . 2 . . . . 59 LYS HB2 . 11088 1 705 . 1 1 59 59 LYS HB3 H 1 0.946 0.030 . 2 . . . . 59 LYS HB3 . 11088 1 706 . 1 1 59 59 LYS HD2 H 1 1.637 0.030 . 2 . . . . 59 LYS HD2 . 11088 1 707 . 1 1 59 59 LYS HD3 H 1 1.806 0.030 . 2 . . . . 59 LYS HD3 . 11088 1 708 . 1 1 59 59 LYS HE2 H 1 2.998 0.030 . 2 . . . . 59 LYS HE2 . 11088 1 709 . 1 1 59 59 LYS HE3 H 1 3.050 0.030 . 2 . . . . 59 LYS HE3 . 11088 1 710 . 1 1 59 59 LYS HG2 H 1 1.232 0.030 . 2 . . . . 59 LYS HG2 . 11088 1 711 . 1 1 59 59 LYS HG3 H 1 1.306 0.030 . 2 . . . . 59 LYS HG3 . 11088 1 712 . 1 1 59 59 LYS C C 13 173.073 0.300 . 1 . . . . 59 LYS C . 11088 1 713 . 1 1 59 59 LYS CA C 13 54.607 0.300 . 1 . . . . 59 LYS CA . 11088 1 714 . 1 1 59 59 LYS CB C 13 37.003 0.300 . 1 . . . . 59 LYS CB . 11088 1 715 . 1 1 59 59 LYS CD C 13 28.852 0.300 . 1 . . . . 59 LYS CD . 11088 1 716 . 1 1 59 59 LYS CE C 13 42.130 0.300 . 1 . . . . 59 LYS CE . 11088 1 717 . 1 1 59 59 LYS CG C 13 25.108 0.300 . 1 . . . . 59 LYS CG . 11088 1 718 . 1 1 59 59 LYS N N 15 120.654 0.300 . 1 . . . . 59 LYS N . 11088 1 719 . 1 1 60 60 ILE H H 1 7.923 0.030 . 1 . . . . 60 ILE H . 11088 1 720 . 1 1 60 60 ILE HA H 1 5.362 0.030 . 1 . . . . 60 ILE HA . 11088 1 721 . 1 1 60 60 ILE HB H 1 1.615 0.030 . 1 . . . . 60 ILE HB . 11088 1 722 . 1 1 60 60 ILE HD11 H 1 0.212 0.030 . 1 . . . . 60 ILE HD1 . 11088 1 723 . 1 1 60 60 ILE HD12 H 1 0.212 0.030 . 1 . . . . 60 ILE HD1 . 11088 1 724 . 1 1 60 60 ILE HD13 H 1 0.212 0.030 . 1 . . . . 60 ILE HD1 . 11088 1 725 . 1 1 60 60 ILE HG12 H 1 1.177 0.030 . 2 . . . . 60 ILE HG12 . 11088 1 726 . 1 1 60 60 ILE HG13 H 1 0.908 0.030 . 2 . . . . 60 ILE HG13 . 11088 1 727 . 1 1 60 60 ILE HG21 H 1 0.744 0.030 . 1 . . . . 60 ILE HG2 . 11088 1 728 . 1 1 60 60 ILE HG22 H 1 0.744 0.030 . 1 . . . . 60 ILE HG2 . 11088 1 729 . 1 1 60 60 ILE HG23 H 1 0.744 0.030 . 1 . . . . 60 ILE HG2 . 11088 1 730 . 1 1 60 60 ILE C C 13 176.885 0.300 . 1 . . . . 60 ILE C . 11088 1 731 . 1 1 60 60 ILE CA C 13 58.691 0.300 . 1 . . . . 60 ILE CA . 11088 1 732 . 1 1 60 60 ILE CB C 13 39.924 0.300 . 1 . . . . 60 ILE CB . 11088 1 733 . 1 1 60 60 ILE CD1 C 13 12.855 0.300 . 1 . . . . 60 ILE CD1 . 11088 1 734 . 1 1 60 60 ILE CG1 C 13 28.504 0.300 . 1 . . . . 60 ILE CG1 . 11088 1 735 . 1 1 60 60 ILE CG2 C 13 18.141 0.300 . 1 . . . . 60 ILE CG2 . 11088 1 736 . 1 1 60 60 ILE N N 15 119.140 0.300 . 1 . . . . 60 ILE N . 11088 1 737 . 1 1 61 61 ARG H H 1 9.233 0.030 . 1 . . . . 61 ARG H . 11088 1 738 . 1 1 61 61 ARG HA H 1 4.883 0.030 . 1 . . . . 61 ARG HA . 11088 1 739 . 1 1 61 61 ARG HB2 H 1 1.940 0.030 . 2 . . . . 61 ARG HB2 . 11088 1 740 . 1 1 61 61 ARG HB3 H 1 1.873 0.030 . 2 . . . . 61 ARG HB3 . 11088 1 741 . 1 1 61 61 ARG HD2 H 1 2.752 0.030 . 2 . . . . 61 ARG HD2 . 11088 1 742 . 1 1 61 61 ARG HD3 H 1 2.926 0.030 . 2 . . . . 61 ARG HD3 . 11088 1 743 . 1 1 61 61 ARG HG2 H 1 1.482 0.030 . 2 . . . . 61 ARG HG2 . 11088 1 744 . 1 1 61 61 ARG HG3 H 1 1.450 0.030 . 2 . . . . 61 ARG HG3 . 11088 1 745 . 1 1 61 61 ARG C C 13 174.386 0.300 . 1 . . . . 61 ARG C . 11088 1 746 . 1 1 61 61 ARG CA C 13 54.181 0.300 . 1 . . . . 61 ARG CA . 11088 1 747 . 1 1 61 61 ARG CB C 13 33.989 0.300 . 1 . . . . 61 ARG CB . 11088 1 748 . 1 1 61 61 ARG CD C 13 43.282 0.300 . 1 . . . . 61 ARG CD . 11088 1 749 . 1 1 61 61 ARG CG C 13 26.154 0.300 . 1 . . . . 61 ARG CG . 11088 1 750 . 1 1 61 61 ARG N N 15 123.253 0.300 . 1 . . . . 61 ARG N . 11088 1 751 . 1 1 62 62 ASP H H 1 8.547 0.030 . 1 . . . . 62 ASP H . 11088 1 752 . 1 1 62 62 ASP HA H 1 4.851 0.030 . 1 . . . . 62 ASP HA . 11088 1 753 . 1 1 62 62 ASP HB2 H 1 2.471 0.030 . 2 . . . . 62 ASP HB2 . 11088 1 754 . 1 1 62 62 ASP HB3 H 1 2.721 0.030 . 2 . . . . 62 ASP HB3 . 11088 1 755 . 1 1 62 62 ASP C C 13 176.026 0.300 . 1 . . . . 62 ASP C . 11088 1 756 . 1 1 62 62 ASP CA C 13 55.096 0.300 . 1 . . . . 62 ASP CA . 11088 1 757 . 1 1 62 62 ASP CB C 13 41.966 0.300 . 1 . . . . 62 ASP CB . 11088 1 758 . 1 1 62 62 ASP N N 15 121.447 0.300 . 1 . . . . 62 ASP N . 11088 1 759 . 1 1 63 63 VAL H H 1 7.944 0.030 . 1 . . . . 63 VAL H . 11088 1 760 . 1 1 63 63 VAL HA H 1 4.104 0.030 . 1 . . . . 63 VAL HA . 11088 1 761 . 1 1 63 63 VAL HB H 1 1.708 0.030 . 1 . . . . 63 VAL HB . 11088 1 762 . 1 1 63 63 VAL HG11 H 1 0.755 0.030 . 1 . . . . 63 VAL HG1 . 11088 1 763 . 1 1 63 63 VAL HG12 H 1 0.755 0.030 . 1 . . . . 63 VAL HG1 . 11088 1 764 . 1 1 63 63 VAL HG13 H 1 0.755 0.030 . 1 . . . . 63 VAL HG1 . 11088 1 765 . 1 1 63 63 VAL HG21 H 1 0.670 0.030 . 1 . . . . 63 VAL HG2 . 11088 1 766 . 1 1 63 63 VAL HG22 H 1 0.670 0.030 . 1 . . . . 63 VAL HG2 . 11088 1 767 . 1 1 63 63 VAL HG23 H 1 0.670 0.030 . 1 . . . . 63 VAL HG2 . 11088 1 768 . 1 1 63 63 VAL C C 13 175.143 0.300 . 1 . . . . 63 VAL C . 11088 1 769 . 1 1 63 63 VAL CA C 13 61.359 0.300 . 1 . . . . 63 VAL CA . 11088 1 770 . 1 1 63 63 VAL CB C 13 33.491 0.300 . 1 . . . . 63 VAL CB . 11088 1 771 . 1 1 63 63 VAL CG1 C 13 21.131 0.300 . 2 . . . . 63 VAL CG1 . 11088 1 772 . 1 1 63 63 VAL CG2 C 13 21.721 0.300 . 2 . . . . 63 VAL CG2 . 11088 1 773 . 1 1 63 63 VAL N N 15 119.686 0.300 . 1 . . . . 63 VAL N . 11088 1 774 . 1 1 64 64 GLU H H 1 8.581 0.030 . 1 . . . . 64 GLU H . 11088 1 775 . 1 1 64 64 GLU HA H 1 4.149 0.030 . 1 . . . . 64 GLU HA . 11088 1 776 . 1 1 64 64 GLU HB2 H 1 1.964 0.030 . 2 . . . . 64 GLU HB2 . 11088 1 777 . 1 1 64 64 GLU HB3 H 1 1.907 0.030 . 2 . . . . 64 GLU HB3 . 11088 1 778 . 1 1 64 64 GLU HG2 H 1 2.237 0.030 . 1 . . . . 64 GLU HG2 . 11088 1 779 . 1 1 64 64 GLU HG3 H 1 2.237 0.030 . 1 . . . . 64 GLU HG3 . 11088 1 780 . 1 1 64 64 GLU C C 13 176.247 0.300 . 1 . . . . 64 GLU C . 11088 1 781 . 1 1 64 64 GLU CA C 13 56.996 0.300 . 1 . . . . 64 GLU CA . 11088 1 782 . 1 1 64 64 GLU CB C 13 30.084 0.300 . 1 . . . . 64 GLU CB . 11088 1 783 . 1 1 64 64 GLU CG C 13 36.127 0.300 . 1 . . . . 64 GLU CG . 11088 1 784 . 1 1 64 64 GLU N N 15 126.130 0.300 . 1 . . . . 64 GLU N . 11088 1 785 . 1 1 65 65 LYS H H 1 8.392 0.030 . 1 . . . . 65 LYS H . 11088 1 786 . 1 1 65 65 LYS HA H 1 4.253 0.030 . 1 . . . . 65 LYS HA . 11088 1 787 . 1 1 65 65 LYS HB2 H 1 1.786 0.030 . 2 . . . . 65 LYS HB2 . 11088 1 788 . 1 1 65 65 LYS HB3 H 1 1.732 0.030 . 2 . . . . 65 LYS HB3 . 11088 1 789 . 1 1 65 65 LYS HD2 H 1 1.589 0.030 . 1 . . . . 65 LYS HD2 . 11088 1 790 . 1 1 65 65 LYS HD3 H 1 1.589 0.030 . 1 . . . . 65 LYS HD3 . 11088 1 791 . 1 1 65 65 LYS HE2 H 1 2.877 0.030 . 1 . . . . 65 LYS HE2 . 11088 1 792 . 1 1 65 65 LYS HE3 H 1 2.877 0.030 . 1 . . . . 65 LYS HE3 . 11088 1 793 . 1 1 65 65 LYS HG2 H 1 1.415 0.030 . 1 . . . . 65 LYS HG2 . 11088 1 794 . 1 1 65 65 LYS HG3 H 1 1.415 0.030 . 1 . . . . 65 LYS HG3 . 11088 1 795 . 1 1 65 65 LYS C C 13 177.042 0.300 . 1 . . . . 65 LYS C . 11088 1 796 . 1 1 65 65 LYS CA C 13 56.503 0.300 . 1 . . . . 65 LYS CA . 11088 1 797 . 1 1 65 65 LYS CB C 13 33.002 0.300 . 1 . . . . 65 LYS CB . 11088 1 798 . 1 1 65 65 LYS CD C 13 29.220 0.300 . 1 . . . . 65 LYS CD . 11088 1 799 . 1 1 65 65 LYS CE C 13 42.048 0.300 . 1 . . . . 65 LYS CE . 11088 1 800 . 1 1 65 65 LYS CG C 13 24.532 0.300 . 1 . . . . 65 LYS CG . 11088 1 801 . 1 1 65 65 LYS N N 15 123.109 0.300 . 1 . . . . 65 LYS N . 11088 1 802 . 1 1 66 66 GLY H H 1 8.412 0.030 . 1 . . . . 66 GLY H . 11088 1 803 . 1 1 66 66 GLY HA2 H 1 3.929 0.030 . 2 . . . . 66 GLY HA2 . 11088 1 804 . 1 1 66 66 GLY HA3 H 1 3.808 0.030 . 2 . . . . 66 GLY HA3 . 11088 1 805 . 1 1 66 66 GLY C C 13 174.204 0.300 . 1 . . . . 66 GLY C . 11088 1 806 . 1 1 66 66 GLY CA C 13 45.173 0.300 . 1 . . . . 66 GLY CA . 11088 1 807 . 1 1 66 66 GLY N N 15 110.626 0.300 . 1 . . . . 66 GLY N . 11088 1 808 . 1 1 67 67 PHE H H 1 8.261 0.030 . 1 . . . . 67 PHE H . 11088 1 809 . 1 1 67 67 PHE HA H 1 4.527 0.030 . 1 . . . . 67 PHE HA . 11088 1 810 . 1 1 67 67 PHE HB2 H 1 3.098 0.030 . 2 . . . . 67 PHE HB2 . 11088 1 811 . 1 1 67 67 PHE HB3 H 1 3.054 0.030 . 2 . . . . 67 PHE HB3 . 11088 1 812 . 1 1 67 67 PHE HD1 H 1 7.213 0.030 . 1 . . . . 67 PHE HD1 . 11088 1 813 . 1 1 67 67 PHE HD2 H 1 7.213 0.030 . 1 . . . . 67 PHE HD2 . 11088 1 814 . 1 1 67 67 PHE HE1 H 1 7.322 0.030 . 1 . . . . 67 PHE HE1 . 11088 1 815 . 1 1 67 67 PHE HE2 H 1 7.322 0.030 . 1 . . . . 67 PHE HE2 . 11088 1 816 . 1 1 67 67 PHE HZ H 1 7.285 0.030 . 1 . . . . 67 PHE HZ . 11088 1 817 . 1 1 67 67 PHE C C 13 176.151 0.300 . 1 . . . . 67 PHE C . 11088 1 818 . 1 1 67 67 PHE CA C 13 58.614 0.300 . 1 . . . . 67 PHE CA . 11088 1 819 . 1 1 67 67 PHE CB C 13 39.252 0.300 . 1 . . . . 67 PHE CB . 11088 1 820 . 1 1 67 67 PHE CD1 C 13 131.826 0.300 . 1 . . . . 67 PHE CD1 . 11088 1 821 . 1 1 67 67 PHE CD2 C 13 131.826 0.300 . 1 . . . . 67 PHE CD2 . 11088 1 822 . 1 1 67 67 PHE CE1 C 13 131.716 0.300 . 1 . . . . 67 PHE CE1 . 11088 1 823 . 1 1 67 67 PHE CE2 C 13 131.716 0.300 . 1 . . . . 67 PHE CE2 . 11088 1 824 . 1 1 67 67 PHE CZ C 13 130.037 0.300 . 1 . . . . 67 PHE CZ . 11088 1 825 . 1 1 67 67 PHE N N 15 120.865 0.300 . 1 . . . . 67 PHE N . 11088 1 826 . 1 1 68 68 MET H H 1 8.364 0.030 . 1 . . . . 68 MET H . 11088 1 827 . 1 1 68 68 MET HA H 1 4.261 0.030 . 1 . . . . 68 MET HA . 11088 1 828 . 1 1 68 68 MET HB2 H 1 1.835 0.030 . 2 . . . . 68 MET HB2 . 11088 1 829 . 1 1 68 68 MET HB3 H 1 2.030 0.030 . 2 . . . . 68 MET HB3 . 11088 1 830 . 1 1 68 68 MET HE1 H 1 2.018 0.030 . 1 . . . . 68 MET HE . 11088 1 831 . 1 1 68 68 MET HE2 H 1 2.018 0.030 . 1 . . . . 68 MET HE . 11088 1 832 . 1 1 68 68 MET HE3 H 1 2.018 0.030 . 1 . . . . 68 MET HE . 11088 1 833 . 1 1 68 68 MET HG2 H 1 2.130 0.030 . 2 . . . . 68 MET HG2 . 11088 1 834 . 1 1 68 68 MET HG3 H 1 2.253 0.030 . 2 . . . . 68 MET HG3 . 11088 1 835 . 1 1 68 68 MET C C 13 175.672 0.300 . 1 . . . . 68 MET C . 11088 1 836 . 1 1 68 68 MET CA C 13 55.518 0.300 . 1 . . . . 68 MET CA . 11088 1 837 . 1 1 68 68 MET CB C 13 32.016 0.300 . 1 . . . . 68 MET CB . 11088 1 838 . 1 1 68 68 MET CE C 13 16.808 0.300 . 1 . . . . 68 MET CE . 11088 1 839 . 1 1 68 68 MET CG C 13 32.016 0.300 . 1 . . . . 68 MET CG . 11088 1 840 . 1 1 68 68 MET N N 15 120.261 0.300 . 1 . . . . 68 MET N . 11088 1 841 . 1 1 69 69 SER H H 1 7.923 0.030 . 1 . . . . 69 SER H . 11088 1 842 . 1 1 69 69 SER HA H 1 4.314 0.030 . 1 . . . . 69 SER HA . 11088 1 843 . 1 1 69 69 SER HB2 H 1 3.804 0.030 . 2 . . . . 69 SER HB2 . 11088 1 844 . 1 1 69 69 SER HB3 H 1 3.748 0.030 . 2 . . . . 69 SER HB3 . 11088 1 845 . 1 1 69 69 SER C C 13 174.322 0.300 . 1 . . . . 69 SER C . 11088 1 846 . 1 1 69 69 SER CA C 13 58.297 0.300 . 1 . . . . 69 SER CA . 11088 1 847 . 1 1 69 69 SER CB C 13 63.840 0.300 . 1 . . . . 69 SER CB . 11088 1 848 . 1 1 69 69 SER N N 15 114.946 0.300 . 1 . . . . 69 SER N . 11088 1 849 . 1 1 70 70 ASN HA H 1 4.652 0.030 . 1 . . . . 70 ASN HA . 11088 1 850 . 1 1 70 70 ASN HB2 H 1 2.858 0.030 . 2 . . . . 70 ASN HB2 . 11088 1 851 . 1 1 70 70 ASN HB3 H 1 2.793 0.030 . 2 . . . . 70 ASN HB3 . 11088 1 852 . 1 1 70 70 ASN HD21 H 1 7.558 0.030 . 2 . . . . 70 ASN HD21 . 11088 1 853 . 1 1 70 70 ASN HD22 H 1 6.923 0.030 . 2 . . . . 70 ASN HD22 . 11088 1 854 . 1 1 70 70 ASN C C 13 174.532 0.300 . 1 . . . . 70 ASN C . 11088 1 855 . 1 1 70 70 ASN CA C 13 53.174 0.300 . 1 . . . . 70 ASN CA . 11088 1 856 . 1 1 70 70 ASN CB C 13 38.419 0.300 . 1 . . . . 70 ASN CB . 11088 1 857 . 1 1 70 70 ASN ND2 N 15 112.638 0.300 . 1 . . . . 70 ASN ND2 . 11088 1 858 . 1 1 71 71 LYS H H 1 7.726 0.030 . 1 . . . . 71 LYS H . 11088 1 859 . 1 1 71 71 LYS HA H 1 4.431 0.030 . 1 . . . . 71 LYS HA . 11088 1 860 . 1 1 71 71 LYS HB2 H 1 1.603 0.030 . 2 . . . . 71 LYS HB2 . 11088 1 861 . 1 1 71 71 LYS HB3 H 1 1.506 0.030 . 2 . . . . 71 LYS HB3 . 11088 1 862 . 1 1 71 71 LYS HD2 H 1 1.558 0.030 . 2 . . . . 71 LYS HD2 . 11088 1 863 . 1 1 71 71 LYS HD3 H 1 1.450 0.030 . 2 . . . . 71 LYS HD3 . 11088 1 864 . 1 1 71 71 LYS HE2 H 1 2.869 0.030 . 1 . . . . 71 LYS HE2 . 11088 1 865 . 1 1 71 71 LYS HE3 H 1 2.869 0.030 . 1 . . . . 71 LYS HE3 . 11088 1 866 . 1 1 71 71 LYS HG2 H 1 1.306 0.030 . 1 . . . . 71 LYS HG2 . 11088 1 867 . 1 1 71 71 LYS HG3 H 1 1.306 0.030 . 1 . . . . 71 LYS HG3 . 11088 1 868 . 1 1 71 71 LYS C C 13 175.259 0.300 . 1 . . . . 71 LYS C . 11088 1 869 . 1 1 71 71 LYS CA C 13 55.236 0.300 . 1 . . . . 71 LYS CA . 11088 1 870 . 1 1 71 71 LYS CB C 13 34.250 0.300 . 1 . . . . 71 LYS CB . 11088 1 871 . 1 1 71 71 LYS CD C 13 28.853 0.300 . 1 . . . . 71 LYS CD . 11088 1 872 . 1 1 71 71 LYS CE C 13 42.459 0.300 . 1 . . . . 71 LYS CE . 11088 1 873 . 1 1 71 71 LYS CG C 13 24.697 0.300 . 1 . . . . 71 LYS CG . 11088 1 874 . 1 1 71 71 LYS N N 15 118.520 0.300 . 1 . . . . 71 LYS N . 11088 1 875 . 1 1 72 72 HIS H H 1 8.524 0.030 . 1 . . . . 72 HIS H . 11088 1 876 . 1 1 72 72 HIS HA H 1 4.641 0.030 . 1 . . . . 72 HIS HA . 11088 1 877 . 1 1 72 72 HIS HB2 H 1 2.852 0.030 . 1 . . . . 72 HIS HB2 . 11088 1 878 . 1 1 72 72 HIS HB3 H 1 2.852 0.030 . 1 . . . . 72 HIS HB3 . 11088 1 879 . 1 1 72 72 HIS HD2 H 1 6.729 0.030 . 1 . . . . 72 HIS HD2 . 11088 1 880 . 1 1 72 72 HIS HE1 H 1 7.899 0.030 . 1 . . . . 72 HIS HE1 . 11088 1 881 . 1 1 72 72 HIS C C 13 173.915 0.300 . 1 . . . . 72 HIS C . 11088 1 882 . 1 1 72 72 HIS CA C 13 55.447 0.300 . 1 . . . . 72 HIS CA . 11088 1 883 . 1 1 72 72 HIS CB C 13 30.651 0.300 . 1 . . . . 72 HIS CB . 11088 1 884 . 1 1 72 72 HIS CD2 C 13 121.170 0.300 . 1 . . . . 72 HIS CD2 . 11088 1 885 . 1 1 72 72 HIS CE1 C 13 138.090 0.300 . 1 . . . . 72 HIS CE1 . 11088 1 886 . 1 1 72 72 HIS N N 15 121.792 0.300 . 1 . . . . 72 HIS N . 11088 1 887 . 1 1 73 73 VAL H H 1 8.592 0.030 . 1 . . . . 73 VAL H . 11088 1 888 . 1 1 73 73 VAL HA H 1 5.306 0.030 . 1 . . . . 73 VAL HA . 11088 1 889 . 1 1 73 73 VAL HB H 1 1.734 0.030 . 1 . . . . 73 VAL HB . 11088 1 890 . 1 1 73 73 VAL HG11 H 1 0.680 0.030 . 1 . . . . 73 VAL HG1 . 11088 1 891 . 1 1 73 73 VAL HG12 H 1 0.680 0.030 . 1 . . . . 73 VAL HG1 . 11088 1 892 . 1 1 73 73 VAL HG13 H 1 0.680 0.030 . 1 . . . . 73 VAL HG1 . 11088 1 893 . 1 1 73 73 VAL HG21 H 1 0.680 0.030 . 1 . . . . 73 VAL HG2 . 11088 1 894 . 1 1 73 73 VAL HG22 H 1 0.680 0.030 . 1 . . . . 73 VAL HG2 . 11088 1 895 . 1 1 73 73 VAL HG23 H 1 0.680 0.030 . 1 . . . . 73 VAL HG2 . 11088 1 896 . 1 1 73 73 VAL C C 13 175.222 0.300 . 1 . . . . 73 VAL C . 11088 1 897 . 1 1 73 73 VAL CA C 13 60.409 0.300 . 1 . . . . 73 VAL CA . 11088 1 898 . 1 1 73 73 VAL CB C 13 35.140 0.300 . 1 . . . . 73 VAL CB . 11088 1 899 . 1 1 73 73 VAL CG1 C 13 21.783 0.300 . 1 . . . . 73 VAL CG1 . 11088 1 900 . 1 1 73 73 VAL CG2 C 13 21.783 0.300 . 1 . . . . 73 VAL CG2 . 11088 1 901 . 1 1 73 73 VAL N N 15 122.297 0.300 . 1 . . . . 73 VAL N . 11088 1 902 . 1 1 74 74 PHE H H 1 8.982 0.030 . 1 . . . . 74 PHE H . 11088 1 903 . 1 1 74 74 PHE HA H 1 5.045 0.030 . 1 . . . . 74 PHE HA . 11088 1 904 . 1 1 74 74 PHE HB2 H 1 2.993 0.030 . 2 . . . . 74 PHE HB2 . 11088 1 905 . 1 1 74 74 PHE HB3 H 1 2.945 0.030 . 2 . . . . 74 PHE HB3 . 11088 1 906 . 1 1 74 74 PHE HD1 H 1 6.910 0.030 . 1 . . . . 74 PHE HD1 . 11088 1 907 . 1 1 74 74 PHE HD2 H 1 6.910 0.030 . 1 . . . . 74 PHE HD2 . 11088 1 908 . 1 1 74 74 PHE HE1 H 1 6.739 0.030 . 1 . . . . 74 PHE HE1 . 11088 1 909 . 1 1 74 74 PHE HE2 H 1 6.739 0.030 . 1 . . . . 74 PHE HE2 . 11088 1 910 . 1 1 74 74 PHE HZ H 1 6.486 0.030 . 1 . . . . 74 PHE HZ . 11088 1 911 . 1 1 74 74 PHE C C 13 170.769 0.300 . 1 . . . . 74 PHE C . 11088 1 912 . 1 1 74 74 PHE CA C 13 55.905 0.300 . 1 . . . . 74 PHE CA . 11088 1 913 . 1 1 74 74 PHE CB C 13 40.897 0.300 . 1 . . . . 74 PHE CB . 11088 1 914 . 1 1 74 74 PHE CD1 C 13 132.409 0.300 . 1 . . . . 74 PHE CD1 . 11088 1 915 . 1 1 74 74 PHE CD2 C 13 132.409 0.300 . 1 . . . . 74 PHE CD2 . 11088 1 916 . 1 1 74 74 PHE CE1 C 13 130.415 0.300 . 1 . . . . 74 PHE CE1 . 11088 1 917 . 1 1 74 74 PHE CE2 C 13 130.415 0.300 . 1 . . . . 74 PHE CE2 . 11088 1 918 . 1 1 74 74 PHE CZ C 13 128.924 0.300 . 1 . . . . 74 PHE CZ . 11088 1 919 . 1 1 74 74 PHE N N 15 124.168 0.300 . 1 . . . . 74 PHE N . 11088 1 920 . 1 1 75 75 ALA H H 1 9.185 0.030 . 1 . . . . 75 ALA H . 11088 1 921 . 1 1 75 75 ALA HA H 1 5.546 0.030 . 1 . . . . 75 ALA HA . 11088 1 922 . 1 1 75 75 ALA HB1 H 1 1.008 0.030 . 1 . . . . 75 ALA HB . 11088 1 923 . 1 1 75 75 ALA HB2 H 1 1.008 0.030 . 1 . . . . 75 ALA HB . 11088 1 924 . 1 1 75 75 ALA HB3 H 1 1.008 0.030 . 1 . . . . 75 ALA HB . 11088 1 925 . 1 1 75 75 ALA C C 13 175.919 0.300 . 1 . . . . 75 ALA C . 11088 1 926 . 1 1 75 75 ALA CA C 13 49.536 0.300 . 1 . . . . 75 ALA CA . 11088 1 927 . 1 1 75 75 ALA CB C 13 22.870 0.300 . 1 . . . . 75 ALA CB . 11088 1 928 . 1 1 75 75 ALA N N 15 121.312 0.300 . 1 . . . . 75 ALA N . 11088 1 929 . 1 1 76 76 ILE H H 1 8.383 0.030 . 1 . . . . 76 ILE H . 11088 1 930 . 1 1 76 76 ILE HA H 1 5.037 0.030 . 1 . . . . 76 ILE HA . 11088 1 931 . 1 1 76 76 ILE HB H 1 1.446 0.030 . 1 . . . . 76 ILE HB . 11088 1 932 . 1 1 76 76 ILE HD11 H 1 0.425 0.030 . 1 . . . . 76 ILE HD1 . 11088 1 933 . 1 1 76 76 ILE HD12 H 1 0.425 0.030 . 1 . . . . 76 ILE HD1 . 11088 1 934 . 1 1 76 76 ILE HD13 H 1 0.425 0.030 . 1 . . . . 76 ILE HD1 . 11088 1 935 . 1 1 76 76 ILE HG12 H 1 1.310 0.030 . 2 . . . . 76 ILE HG12 . 11088 1 936 . 1 1 76 76 ILE HG13 H 1 0.688 0.030 . 2 . . . . 76 ILE HG13 . 11088 1 937 . 1 1 76 76 ILE HG21 H 1 0.742 0.030 . 1 . . . . 76 ILE HG2 . 11088 1 938 . 1 1 76 76 ILE HG22 H 1 0.742 0.030 . 1 . . . . 76 ILE HG2 . 11088 1 939 . 1 1 76 76 ILE HG23 H 1 0.742 0.030 . 1 . . . . 76 ILE HG2 . 11088 1 940 . 1 1 76 76 ILE C C 13 174.658 0.300 . 1 . . . . 76 ILE C . 11088 1 941 . 1 1 76 76 ILE CA C 13 59.423 0.300 . 1 . . . . 76 ILE CA . 11088 1 942 . 1 1 76 76 ILE CB C 13 40.524 0.300 . 1 . . . . 76 ILE CB . 11088 1 943 . 1 1 76 76 ILE CD1 C 13 14.526 0.300 . 1 . . . . 76 ILE CD1 . 11088 1 944 . 1 1 76 76 ILE CG1 C 13 26.996 0.300 . 1 . . . . 76 ILE CG1 . 11088 1 945 . 1 1 76 76 ILE CG2 C 13 18.684 0.300 . 1 . . . . 76 ILE CG2 . 11088 1 946 . 1 1 76 76 ILE N N 15 117.984 0.300 . 1 . . . . 76 ILE N . 11088 1 947 . 1 1 77 77 PHE H H 1 8.959 0.030 . 1 . . . . 77 PHE H . 11088 1 948 . 1 1 77 77 PHE HA H 1 5.144 0.030 . 1 . . . . 77 PHE HA . 11088 1 949 . 1 1 77 77 PHE HB2 H 1 2.897 0.030 . 2 . . . . 77 PHE HB2 . 11088 1 950 . 1 1 77 77 PHE HB3 H 1 3.287 0.030 . 2 . . . . 77 PHE HB3 . 11088 1 951 . 1 1 77 77 PHE HD1 H 1 6.963 0.030 . 1 . . . . 77 PHE HD1 . 11088 1 952 . 1 1 77 77 PHE HD2 H 1 6.963 0.030 . 1 . . . . 77 PHE HD2 . 11088 1 953 . 1 1 77 77 PHE HE1 H 1 7.181 0.030 . 1 . . . . 77 PHE HE1 . 11088 1 954 . 1 1 77 77 PHE HE2 H 1 7.181 0.030 . 1 . . . . 77 PHE HE2 . 11088 1 955 . 1 1 77 77 PHE HZ H 1 6.992 0.030 . 1 . . . . 77 PHE HZ . 11088 1 956 . 1 1 77 77 PHE C C 13 170.446 0.300 . 1 . . . . 77 PHE C . 11088 1 957 . 1 1 77 77 PHE CA C 13 55.201 0.300 . 1 . . . . 77 PHE CA . 11088 1 958 . 1 1 77 77 PHE CB C 13 42.187 0.300 . 1 . . . . 77 PHE CB . 11088 1 959 . 1 1 77 77 PHE CD1 C 13 132.759 0.300 . 1 . . . . 77 PHE CD1 . 11088 1 960 . 1 1 77 77 PHE CD2 C 13 132.759 0.300 . 1 . . . . 77 PHE CD2 . 11088 1 961 . 1 1 77 77 PHE CE1 C 13 130.696 0.300 . 1 . . . . 77 PHE CE1 . 11088 1 962 . 1 1 77 77 PHE CE2 C 13 130.696 0.300 . 1 . . . . 77 PHE CE2 . 11088 1 963 . 1 1 77 77 PHE CZ C 13 130.582 0.300 . 1 . . . . 77 PHE CZ . 11088 1 964 . 1 1 77 77 PHE N N 15 123.991 0.300 . 1 . . . . 77 PHE N . 11088 1 965 . 1 1 78 78 ASN H H 1 9.114 0.030 . 1 . . . . 78 ASN H . 11088 1 966 . 1 1 78 78 ASN HA H 1 5.444 0.030 . 1 . . . . 78 ASN HA . 11088 1 967 . 1 1 78 78 ASN HB2 H 1 2.356 0.030 . 2 . . . . 78 ASN HB2 . 11088 1 968 . 1 1 78 78 ASN HB3 H 1 3.051 0.030 . 2 . . . . 78 ASN HB3 . 11088 1 969 . 1 1 78 78 ASN HD21 H 1 7.330 0.030 . 2 . . . . 78 ASN HD21 . 11088 1 970 . 1 1 78 78 ASN HD22 H 1 7.851 0.030 . 2 . . . . 78 ASN HD22 . 11088 1 971 . 1 1 78 78 ASN C C 13 177.031 0.300 . 1 . . . . 78 ASN C . 11088 1 972 . 1 1 78 78 ASN CA C 13 51.634 0.300 . 1 . . . . 78 ASN CA . 11088 1 973 . 1 1 78 78 ASN CB C 13 41.952 0.300 . 1 . . . . 78 ASN CB . 11088 1 974 . 1 1 78 78 ASN N N 15 119.251 0.300 . 1 . . . . 78 ASN N . 11088 1 975 . 1 1 78 78 ASN ND2 N 15 115.868 0.300 . 1 . . . . 78 ASN ND2 . 11088 1 976 . 1 1 79 79 THR H H 1 9.132 0.030 . 1 . . . . 79 THR H . 11088 1 977 . 1 1 79 79 THR HA H 1 4.080 0.030 . 1 . . . . 79 THR HA . 11088 1 978 . 1 1 79 79 THR HB H 1 4.420 0.030 . 1 . . . . 79 THR HB . 11088 1 979 . 1 1 79 79 THR HG21 H 1 1.099 0.030 . 1 . . . . 79 THR HG2 . 11088 1 980 . 1 1 79 79 THR HG22 H 1 1.099 0.030 . 1 . . . . 79 THR HG2 . 11088 1 981 . 1 1 79 79 THR HG23 H 1 1.099 0.030 . 1 . . . . 79 THR HG2 . 11088 1 982 . 1 1 79 79 THR C C 13 175.933 0.300 . 1 . . . . 79 THR C . 11088 1 983 . 1 1 79 79 THR CA C 13 64.701 0.300 . 1 . . . . 79 THR CA . 11088 1 984 . 1 1 79 79 THR CB C 13 68.519 0.300 . 1 . . . . 79 THR CB . 11088 1 985 . 1 1 79 79 THR CG2 C 13 22.560 0.300 . 1 . . . . 79 THR CG2 . 11088 1 986 . 1 1 79 79 THR N N 15 117.577 0.300 . 1 . . . . 79 THR N . 11088 1 987 . 1 1 80 80 GLU H H 1 8.847 0.030 . 1 . . . . 80 GLU H . 11088 1 988 . 1 1 80 80 GLU HA H 1 4.500 0.030 . 1 . . . . 80 GLU HA . 11088 1 989 . 1 1 80 80 GLU HB2 H 1 1.948 0.030 . 2 . . . . 80 GLU HB2 . 11088 1 990 . 1 1 80 80 GLU HB3 H 1 2.256 0.030 . 2 . . . . 80 GLU HB3 . 11088 1 991 . 1 1 80 80 GLU HG2 H 1 2.138 0.030 . 2 . . . . 80 GLU HG2 . 11088 1 992 . 1 1 80 80 GLU HG3 H 1 2.253 0.030 . 2 . . . . 80 GLU HG3 . 11088 1 993 . 1 1 80 80 GLU CA C 13 55.694 0.300 . 1 . . . . 80 GLU CA . 11088 1 994 . 1 1 80 80 GLU CB C 13 30.132 0.300 . 1 . . . . 80 GLU CB . 11088 1 995 . 1 1 80 80 GLU CG C 13 36.480 0.300 . 1 . . . . 80 GLU CG . 11088 1 996 . 1 1 80 80 GLU N N 15 120.431 0.300 . 1 . . . . 80 GLU N . 11088 1 997 . 1 1 81 81 GLN HE21 H 1 6.801 0.030 . 2 . . . . 81 GLN HE21 . 11088 1 998 . 1 1 81 81 GLN HE22 H 1 7.548 0.030 . 2 . . . . 81 GLN HE22 . 11088 1 999 . 1 1 81 81 GLN HG2 H 1 2.283 0.030 . 1 . . . . 81 GLN HG2 . 11088 1 1000 . 1 1 81 81 GLN HG3 H 1 2.283 0.030 . 1 . . . . 81 GLN HG3 . 11088 1 1001 . 1 1 81 81 GLN NE2 N 15 112.236 0.300 . 1 . . . . 81 GLN NE2 . 11088 1 1002 . 1 1 82 82 ARG HA H 1 4.258 0.030 . 1 . . . . 82 ARG HA . 11088 1 1003 . 1 1 82 82 ARG HB2 H 1 1.810 0.030 . 2 . . . . 82 ARG HB2 . 11088 1 1004 . 1 1 82 82 ARG HB3 H 1 1.550 0.030 . 2 . . . . 82 ARG HB3 . 11088 1 1005 . 1 1 82 82 ARG HD2 H 1 3.164 0.030 . 1 . . . . 82 ARG HD2 . 11088 1 1006 . 1 1 82 82 ARG HD3 H 1 3.164 0.030 . 1 . . . . 82 ARG HD3 . 11088 1 1007 . 1 1 82 82 ARG HG2 H 1 1.558 0.030 . 1 . . . . 82 ARG HG2 . 11088 1 1008 . 1 1 82 82 ARG HG3 H 1 1.558 0.030 . 1 . . . . 82 ARG HG3 . 11088 1 1009 . 1 1 82 82 ARG C C 13 174.965 0.300 . 1 . . . . 82 ARG C . 11088 1 1010 . 1 1 82 82 ARG CB C 13 31.157 0.300 . 1 . . . . 82 ARG CB . 11088 1 1011 . 1 1 82 82 ARG CD C 13 43.419 0.300 . 1 . . . . 82 ARG CD . 11088 1 1012 . 1 1 82 82 ARG CG C 13 27.247 0.300 . 1 . . . . 82 ARG CG . 11088 1 1013 . 1 1 83 83 ASN HA H 1 4.484 0.030 . 1 . . . . 83 ASN HA . 11088 1 1014 . 1 1 83 83 ASN HB2 H 1 2.564 0.030 . 1 . . . . 83 ASN HB2 . 11088 1 1015 . 1 1 83 83 ASN HB3 H 1 2.564 0.030 . 1 . . . . 83 ASN HB3 . 11088 1 1016 . 1 1 83 83 ASN HD21 H 1 6.710 0.030 . 2 . . . . 83 ASN HD21 . 11088 1 1017 . 1 1 83 83 ASN HD22 H 1 7.287 0.030 . 2 . . . . 83 ASN HD22 . 11088 1 1018 . 1 1 83 83 ASN CB C 13 37.926 0.300 . 1 . . . . 83 ASN CB . 11088 1 1019 . 1 1 83 83 ASN ND2 N 15 110.302 0.300 . 1 . . . . 83 ASN ND2 . 11088 1 1020 . 1 1 84 84 VAL H H 1 8.211 0.030 . 1 . . . . 84 VAL H . 11088 1 1021 . 1 1 84 84 VAL HA H 1 4.261 0.030 . 1 . . . . 84 VAL HA . 11088 1 1022 . 1 1 84 84 VAL HB H 1 2.111 0.030 . 1 . . . . 84 VAL HB . 11088 1 1023 . 1 1 84 84 VAL HG11 H 1 1.010 0.030 . 1 . . . . 84 VAL HG1 . 11088 1 1024 . 1 1 84 84 VAL HG12 H 1 1.010 0.030 . 1 . . . . 84 VAL HG1 . 11088 1 1025 . 1 1 84 84 VAL HG13 H 1 1.010 0.030 . 1 . . . . 84 VAL HG1 . 11088 1 1026 . 1 1 84 84 VAL HG21 H 1 1.010 0.030 . 1 . . . . 84 VAL HG2 . 11088 1 1027 . 1 1 84 84 VAL HG22 H 1 1.010 0.030 . 1 . . . . 84 VAL HG2 . 11088 1 1028 . 1 1 84 84 VAL HG23 H 1 1.010 0.030 . 1 . . . . 84 VAL HG2 . 11088 1 1029 . 1 1 84 84 VAL C C 13 177.794 0.300 . 1 . . . . 84 VAL C . 11088 1 1030 . 1 1 84 84 VAL CA C 13 62.229 0.300 . 1 . . . . 84 VAL CA . 11088 1 1031 . 1 1 84 84 VAL CB C 13 33.153 0.300 . 1 . . . . 84 VAL CB . 11088 1 1032 . 1 1 84 84 VAL CG1 C 13 22.019 0.300 . 1 . . . . 84 VAL CG1 . 11088 1 1033 . 1 1 84 84 VAL CG2 C 13 22.019 0.300 . 1 . . . . 84 VAL CG2 . 11088 1 1034 . 1 1 84 84 VAL N N 15 119.584 0.300 . 1 . . . . 84 VAL N . 11088 1 1035 . 1 1 85 85 TYR H H 1 6.929 0.030 . 1 . . . . 85 TYR H . 11088 1 1036 . 1 1 85 85 TYR HA H 1 4.428 0.030 . 1 . . . . 85 TYR HA . 11088 1 1037 . 1 1 85 85 TYR HB2 H 1 3.064 0.030 . 2 . . . . 85 TYR HB2 . 11088 1 1038 . 1 1 85 85 TYR HB3 H 1 2.441 0.030 . 2 . . . . 85 TYR HB3 . 11088 1 1039 . 1 1 85 85 TYR HD1 H 1 6.404 0.030 . 1 . . . . 85 TYR HD1 . 11088 1 1040 . 1 1 85 85 TYR HD2 H 1 6.404 0.030 . 1 . . . . 85 TYR HD2 . 11088 1 1041 . 1 1 85 85 TYR HE1 H 1 6.322 0.030 . 1 . . . . 85 TYR HE1 . 11088 1 1042 . 1 1 85 85 TYR HE2 H 1 6.322 0.030 . 1 . . . . 85 TYR HE2 . 11088 1 1043 . 1 1 85 85 TYR CA C 13 57.197 0.300 . 1 . . . . 85 TYR CA . 11088 1 1044 . 1 1 85 85 TYR CB C 13 41.167 0.300 . 1 . . . . 85 TYR CB . 11088 1 1045 . 1 1 85 85 TYR CD1 C 13 132.955 0.300 . 1 . . . . 85 TYR CD1 . 11088 1 1046 . 1 1 85 85 TYR CD2 C 13 132.955 0.300 . 1 . . . . 85 TYR CD2 . 11088 1 1047 . 1 1 85 85 TYR CE1 C 13 118.081 0.300 . 1 . . . . 85 TYR CE1 . 11088 1 1048 . 1 1 85 85 TYR CE2 C 13 118.081 0.300 . 1 . . . . 85 TYR CE2 . 11088 1 1049 . 1 1 85 85 TYR N N 15 119.466 0.300 . 1 . . . . 85 TYR N . 11088 1 1050 . 1 1 86 86 LYS H H 1 8.614 0.030 . 1 . . . . 86 LYS H . 11088 1 1051 . 1 1 86 86 LYS HA H 1 3.465 0.030 . 1 . . . . 86 LYS HA . 11088 1 1052 . 1 1 86 86 LYS HB2 H 1 1.520 0.030 . 2 . . . . 86 LYS HB2 . 11088 1 1053 . 1 1 86 86 LYS HB3 H 1 1.435 0.030 . 2 . . . . 86 LYS HB3 . 11088 1 1054 . 1 1 86 86 LYS HD2 H 1 1.365 0.030 . 2 . . . . 86 LYS HD2 . 11088 1 1055 . 1 1 86 86 LYS HD3 H 1 1.409 0.030 . 2 . . . . 86 LYS HD3 . 11088 1 1056 . 1 1 86 86 LYS HE2 H 1 2.853 0.030 . 2 . . . . 86 LYS HE2 . 11088 1 1057 . 1 1 86 86 LYS HE3 H 1 2.775 0.030 . 2 . . . . 86 LYS HE3 . 11088 1 1058 . 1 1 86 86 LYS HG2 H 1 0.673 0.030 . 2 . . . . 86 LYS HG2 . 11088 1 1059 . 1 1 86 86 LYS HG3 H 1 0.393 0.030 . 2 . . . . 86 LYS HG3 . 11088 1 1060 . 1 1 86 86 LYS CA C 13 58.157 0.300 . 1 . . . . 86 LYS CA . 11088 1 1061 . 1 1 86 86 LYS CB C 13 29.964 0.300 . 1 . . . . 86 LYS CB . 11088 1 1062 . 1 1 86 86 LYS CD C 13 29.161 0.300 . 1 . . . . 86 LYS CD . 11088 1 1063 . 1 1 86 86 LYS CE C 13 42.182 0.300 . 1 . . . . 86 LYS CE . 11088 1 1064 . 1 1 86 86 LYS CG C 13 24.826 0.300 . 1 . . . . 86 LYS CG . 11088 1 1065 . 1 1 86 86 LYS N N 15 124.682 0.300 . 1 . . . . 86 LYS N . 11088 1 1066 . 1 1 87 87 ASP H H 1 8.430 0.030 . 1 . . . . 87 ASP H . 11088 1 1067 . 1 1 87 87 ASP HA H 1 4.599 0.030 . 1 . . . . 87 ASP HA . 11088 1 1068 . 1 1 87 87 ASP HB2 H 1 2.788 0.030 . 2 . . . . 87 ASP HB2 . 11088 1 1069 . 1 1 87 87 ASP HB3 H 1 2.630 0.030 . 2 . . . . 87 ASP HB3 . 11088 1 1070 . 1 1 87 87 ASP C C 13 175.364 0.300 . 1 . . . . 87 ASP C . 11088 1 1071 . 1 1 87 87 ASP CA C 13 53.547 0.300 . 1 . . . . 87 ASP CA . 11088 1 1072 . 1 1 87 87 ASP CB C 13 39.893 0.300 . 1 . . . . 87 ASP CB . 11088 1 1073 . 1 1 87 87 ASP N N 15 120.384 0.300 . 1 . . . . 87 ASP N . 11088 1 1074 . 1 1 88 88 LEU H H 1 8.797 0.030 . 1 . . . . 88 LEU H . 11088 1 1075 . 1 1 88 88 LEU HA H 1 4.489 0.030 . 1 . . . . 88 LEU HA . 11088 1 1076 . 1 1 88 88 LEU HB2 H 1 2.095 0.030 . 2 . . . . 88 LEU HB2 . 11088 1 1077 . 1 1 88 88 LEU HB3 H 1 1.556 0.030 . 2 . . . . 88 LEU HB3 . 11088 1 1078 . 1 1 88 88 LEU HD11 H 1 0.967 0.030 . 1 . . . . 88 LEU HD1 . 11088 1 1079 . 1 1 88 88 LEU HD12 H 1 0.967 0.030 . 1 . . . . 88 LEU HD1 . 11088 1 1080 . 1 1 88 88 LEU HD13 H 1 0.967 0.030 . 1 . . . . 88 LEU HD1 . 11088 1 1081 . 1 1 88 88 LEU HD21 H 1 0.903 0.030 . 1 . . . . 88 LEU HD2 . 11088 1 1082 . 1 1 88 88 LEU HD22 H 1 0.903 0.030 . 1 . . . . 88 LEU HD2 . 11088 1 1083 . 1 1 88 88 LEU HD23 H 1 0.903 0.030 . 1 . . . . 88 LEU HD2 . 11088 1 1084 . 1 1 88 88 LEU HG H 1 1.833 0.030 . 1 . . . . 88 LEU HG . 11088 1 1085 . 1 1 88 88 LEU C C 13 177.278 0.300 . 1 . . . . 88 LEU C . 11088 1 1086 . 1 1 88 88 LEU CA C 13 54.497 0.300 . 1 . . . . 88 LEU CA . 11088 1 1087 . 1 1 88 88 LEU CB C 13 42.046 0.300 . 1 . . . . 88 LEU CB . 11088 1 1088 . 1 1 88 88 LEU CD1 C 13 25.601 0.300 . 2 . . . . 88 LEU CD1 . 11088 1 1089 . 1 1 88 88 LEU CD2 C 13 23.204 0.300 . 2 . . . . 88 LEU CD2 . 11088 1 1090 . 1 1 88 88 LEU CG C 13 26.966 0.300 . 1 . . . . 88 LEU CG . 11088 1 1091 . 1 1 88 88 LEU N N 15 120.886 0.300 . 1 . . . . 88 LEU N . 11088 1 1092 . 1 1 89 89 ARG H H 1 8.742 0.030 . 1 . . . . 89 ARG H . 11088 1 1093 . 1 1 89 89 ARG HA H 1 4.785 0.030 . 1 . . . . 89 ARG HA . 11088 1 1094 . 1 1 89 89 ARG HB2 H 1 1.835 0.030 . 2 . . . . 89 ARG HB2 . 11088 1 1095 . 1 1 89 89 ARG HB3 H 1 1.950 0.030 . 2 . . . . 89 ARG HB3 . 11088 1 1096 . 1 1 89 89 ARG HD2 H 1 3.175 0.030 . 1 . . . . 89 ARG HD2 . 11088 1 1097 . 1 1 89 89 ARG HD3 H 1 3.175 0.030 . 1 . . . . 89 ARG HD3 . 11088 1 1098 . 1 1 89 89 ARG HG2 H 1 1.766 0.030 . 2 . . . . 89 ARG HG2 . 11088 1 1099 . 1 1 89 89 ARG HG3 H 1 1.708 0.030 . 2 . . . . 89 ARG HG3 . 11088 1 1100 . 1 1 89 89 ARG C C 13 176.266 0.300 . 1 . . . . 89 ARG C . 11088 1 1101 . 1 1 89 89 ARG CA C 13 57.418 0.300 . 1 . . . . 89 ARG CA . 11088 1 1102 . 1 1 89 89 ARG CB C 13 30.507 0.300 . 1 . . . . 89 ARG CB . 11088 1 1103 . 1 1 89 89 ARG CD C 13 43.035 0.300 . 1 . . . . 89 ARG CD . 11088 1 1104 . 1 1 89 89 ARG CG C 13 27.328 0.300 . 1 . . . . 89 ARG CG . 11088 1 1105 . 1 1 89 89 ARG N N 15 123.409 0.300 . 1 . . . . 89 ARG N . 11088 1 1106 . 1 1 90 90 GLN H H 1 7.615 0.030 . 1 . . . . 90 GLN H . 11088 1 1107 . 1 1 90 90 GLN HA H 1 5.269 0.030 . 1 . . . . 90 GLN HA . 11088 1 1108 . 1 1 90 90 GLN HB2 H 1 2.098 0.030 . 2 . . . . 90 GLN HB2 . 11088 1 1109 . 1 1 90 90 GLN HB3 H 1 1.706 0.030 . 2 . . . . 90 GLN HB3 . 11088 1 1110 . 1 1 90 90 GLN HE21 H 1 6.582 0.030 . 2 . . . . 90 GLN HE21 . 11088 1 1111 . 1 1 90 90 GLN HE22 H 1 8.053 0.030 . 2 . . . . 90 GLN HE22 . 11088 1 1112 . 1 1 90 90 GLN HG2 H 1 1.893 0.030 . 2 . . . . 90 GLN HG2 . 11088 1 1113 . 1 1 90 90 GLN HG3 H 1 2.232 0.030 . 2 . . . . 90 GLN HG3 . 11088 1 1114 . 1 1 90 90 GLN CA C 13 53.196 0.300 . 1 . . . . 90 GLN CA . 11088 1 1115 . 1 1 90 90 GLN CB C 13 31.012 0.300 . 1 . . . . 90 GLN CB . 11088 1 1116 . 1 1 90 90 GLN CG C 13 31.196 0.300 . 1 . . . . 90 GLN CG . 11088 1 1117 . 1 1 90 90 GLN N N 15 111.531 0.300 . 1 . . . . 90 GLN N . 11088 1 1118 . 1 1 90 90 GLN NE2 N 15 111.646 0.300 . 1 . . . . 90 GLN NE2 . 11088 1 1119 . 1 1 91 91 ILE H H 1 8.659 0.030 . 1 . . . . 91 ILE H . 11088 1 1120 . 1 1 91 91 ILE HA H 1 4.405 0.030 . 1 . . . . 91 ILE HA . 11088 1 1121 . 1 1 91 91 ILE HB H 1 1.385 0.030 . 1 . . . . 91 ILE HB . 11088 1 1122 . 1 1 91 91 ILE HD11 H 1 0.522 0.030 . 1 . . . . 91 ILE HD1 . 11088 1 1123 . 1 1 91 91 ILE HD12 H 1 0.522 0.030 . 1 . . . . 91 ILE HD1 . 11088 1 1124 . 1 1 91 91 ILE HD13 H 1 0.522 0.030 . 1 . . . . 91 ILE HD1 . 11088 1 1125 . 1 1 91 91 ILE HG12 H 1 1.454 0.030 . 2 . . . . 91 ILE HG12 . 11088 1 1126 . 1 1 91 91 ILE HG13 H 1 0.736 0.030 . 2 . . . . 91 ILE HG13 . 11088 1 1127 . 1 1 91 91 ILE HG21 H 1 0.577 0.030 . 1 . . . . 91 ILE HG2 . 11088 1 1128 . 1 1 91 91 ILE HG22 H 1 0.577 0.030 . 1 . . . . 91 ILE HG2 . 11088 1 1129 . 1 1 91 91 ILE HG23 H 1 0.577 0.030 . 1 . . . . 91 ILE HG2 . 11088 1 1130 . 1 1 91 91 ILE C C 13 174.148 0.300 . 1 . . . . 91 ILE C . 11088 1 1131 . 1 1 91 91 ILE CA C 13 59.951 0.300 . 1 . . . . 91 ILE CA . 11088 1 1132 . 1 1 91 91 ILE CB C 13 40.368 0.300 . 1 . . . . 91 ILE CB . 11088 1 1133 . 1 1 91 91 ILE CD1 C 13 13.595 0.300 . 1 . . . . 91 ILE CD1 . 11088 1 1134 . 1 1 91 91 ILE CG1 C 13 27.325 0.300 . 1 . . . . 91 ILE CG1 . 11088 1 1135 . 1 1 91 91 ILE CG2 C 13 17.378 0.300 . 1 . . . . 91 ILE CG2 . 11088 1 1136 . 1 1 91 91 ILE N N 15 119.924 0.300 . 1 . . . . 91 ILE N . 11088 1 1137 . 1 1 92 92 GLU H H 1 8.300 0.030 . 1 . . . . 92 GLU H . 11088 1 1138 . 1 1 92 92 GLU HA H 1 4.378 0.030 . 1 . . . . 92 GLU HA . 11088 1 1139 . 1 1 92 92 GLU HB2 H 1 1.516 0.030 . 2 . . . . 92 GLU HB2 . 11088 1 1140 . 1 1 92 92 GLU HB3 H 1 1.702 0.030 . 2 . . . . 92 GLU HB3 . 11088 1 1141 . 1 1 92 92 GLU HG2 H 1 2.045 0.030 . 2 . . . . 92 GLU HG2 . 11088 1 1142 . 1 1 92 92 GLU HG3 H 1 1.819 0.030 . 2 . . . . 92 GLU HG3 . 11088 1 1143 . 1 1 92 92 GLU C C 13 173.736 0.300 . 1 . . . . 92 GLU C . 11088 1 1144 . 1 1 92 92 GLU CA C 13 54.744 0.300 . 1 . . . . 92 GLU CA . 11088 1 1145 . 1 1 92 92 GLU CB C 13 30.839 0.300 . 1 . . . . 92 GLU CB . 11088 1 1146 . 1 1 92 92 GLU CG C 13 36.687 0.300 . 1 . . . . 92 GLU CG . 11088 1 1147 . 1 1 92 92 GLU N N 15 126.112 0.300 . 1 . . . . 92 GLU N . 11088 1 1148 . 1 1 93 93 LEU H H 1 8.602 0.030 . 1 . . . . 93 LEU H . 11088 1 1149 . 1 1 93 93 LEU HA H 1 4.723 0.030 . 1 . . . . 93 LEU HA . 11088 1 1150 . 1 1 93 93 LEU HB2 H 1 0.209 0.030 . 2 . . . . 93 LEU HB2 . 11088 1 1151 . 1 1 93 93 LEU HB3 H 1 0.117 0.030 . 2 . . . . 93 LEU HB3 . 11088 1 1152 . 1 1 93 93 LEU HD11 H 1 -0.054 0.030 . 1 . . . . 93 LEU HD1 . 11088 1 1153 . 1 1 93 93 LEU HD12 H 1 -0.054 0.030 . 1 . . . . 93 LEU HD1 . 11088 1 1154 . 1 1 93 93 LEU HD13 H 1 -0.054 0.030 . 1 . . . . 93 LEU HD1 . 11088 1 1155 . 1 1 93 93 LEU HD21 H 1 -0.069 0.030 . 1 . . . . 93 LEU HD2 . 11088 1 1156 . 1 1 93 93 LEU HD22 H 1 -0.069 0.030 . 1 . . . . 93 LEU HD2 . 11088 1 1157 . 1 1 93 93 LEU HD23 H 1 -0.069 0.030 . 1 . . . . 93 LEU HD2 . 11088 1 1158 . 1 1 93 93 LEU HG H 1 0.797 0.030 . 1 . . . . 93 LEU HG . 11088 1 1159 . 1 1 93 93 LEU C C 13 173.672 0.300 . 1 . . . . 93 LEU C . 11088 1 1160 . 1 1 93 93 LEU CA C 13 52.457 0.300 . 1 . . . . 93 LEU CA . 11088 1 1161 . 1 1 93 93 LEU CB C 13 42.078 0.300 . 1 . . . . 93 LEU CB . 11088 1 1162 . 1 1 93 93 LEU CD1 C 13 24.712 0.300 . 2 . . . . 93 LEU CD1 . 11088 1 1163 . 1 1 93 93 LEU CD2 C 13 24.712 0.300 . 2 . . . . 93 LEU CD2 . 11088 1 1164 . 1 1 93 93 LEU CG C 13 26.341 0.300 . 1 . . . . 93 LEU CG . 11088 1 1165 . 1 1 93 93 LEU N N 15 126.594 0.300 . 1 . . . . 93 LEU N . 11088 1 1166 . 1 1 94 94 ALA H H 1 9.014 0.030 . 1 . . . . 94 ALA H . 11088 1 1167 . 1 1 94 94 ALA HA H 1 5.340 0.030 . 1 . . . . 94 ALA HA . 11088 1 1168 . 1 1 94 94 ALA HB1 H 1 1.169 0.030 . 1 . . . . 94 ALA HB . 11088 1 1169 . 1 1 94 94 ALA HB2 H 1 1.169 0.030 . 1 . . . . 94 ALA HB . 11088 1 1170 . 1 1 94 94 ALA HB3 H 1 1.169 0.030 . 1 . . . . 94 ALA HB . 11088 1 1171 . 1 1 94 94 ALA C C 13 176.961 0.300 . 1 . . . . 94 ALA C . 11088 1 1172 . 1 1 94 94 ALA CA C 13 49.712 0.300 . 1 . . . . 94 ALA CA . 11088 1 1173 . 1 1 94 94 ALA CB C 13 23.090 0.300 . 1 . . . . 94 ALA CB . 11088 1 1174 . 1 1 94 94 ALA N N 15 122.229 0.300 . 1 . . . . 94 ALA N . 11088 1 1175 . 1 1 95 95 CYS H H 1 8.925 0.030 . 1 . . . . 95 CYS H . 11088 1 1176 . 1 1 95 95 CYS HA H 1 5.042 0.030 . 1 . . . . 95 CYS HA . 11088 1 1177 . 1 1 95 95 CYS HB2 H 1 3.017 0.030 . 2 . . . . 95 CYS HB2 . 11088 1 1178 . 1 1 95 95 CYS HB3 H 1 3.474 0.030 . 2 . . . . 95 CYS HB3 . 11088 1 1179 . 1 1 95 95 CYS C C 13 174.842 0.300 . 1 . . . . 95 CYS C . 11088 1 1180 . 1 1 95 95 CYS CA C 13 57.101 0.300 . 1 . . . . 95 CYS CA . 11088 1 1181 . 1 1 95 95 CYS CB C 13 32.423 0.300 . 1 . . . . 95 CYS CB . 11088 1 1182 . 1 1 95 95 CYS N N 15 117.839 0.300 . 1 . . . . 95 CYS N . 11088 1 1183 . 1 1 96 96 ASP H H 1 9.377 0.030 . 1 . . . . 96 ASP H . 11088 1 1184 . 1 1 96 96 ASP HA H 1 4.870 0.030 . 1 . . . . 96 ASP HA . 11088 1 1185 . 1 1 96 96 ASP HB2 H 1 2.877 0.030 . 2 . . . . 96 ASP HB2 . 11088 1 1186 . 1 1 96 96 ASP HB3 H 1 2.764 0.030 . 2 . . . . 96 ASP HB3 . 11088 1 1187 . 1 1 96 96 ASP C C 13 175.891 0.300 . 1 . . . . 96 ASP C . 11088 1 1188 . 1 1 96 96 ASP CA C 13 56.221 0.300 . 1 . . . . 96 ASP CA . 11088 1 1189 . 1 1 96 96 ASP CB C 13 42.048 0.300 . 1 . . . . 96 ASP CB . 11088 1 1190 . 1 1 96 96 ASP N N 15 119.327 0.300 . 1 . . . . 96 ASP N . 11088 1 1191 . 1 1 97 97 SER H H 1 7.559 0.030 . 1 . . . . 97 SER H . 11088 1 1192 . 1 1 97 97 SER HA H 1 4.418 0.030 . 1 . . . . 97 SER HA . 11088 1 1193 . 1 1 97 97 SER HB2 H 1 3.946 0.030 . 2 . . . . 97 SER HB2 . 11088 1 1194 . 1 1 97 97 SER HB3 H 1 4.130 0.030 . 2 . . . . 97 SER HB3 . 11088 1 1195 . 1 1 97 97 SER C C 13 173.475 0.300 . 1 . . . . 97 SER C . 11088 1 1196 . 1 1 97 97 SER CA C 13 56.679 0.300 . 1 . . . . 97 SER CA . 11088 1 1197 . 1 1 97 97 SER CB C 13 66.389 0.300 . 1 . . . . 97 SER CB . 11088 1 1198 . 1 1 97 97 SER N N 15 109.781 0.300 . 1 . . . . 97 SER N . 11088 1 1199 . 1 1 98 98 GLN H H 1 8.682 0.030 . 1 . . . . 98 GLN H . 11088 1 1200 . 1 1 98 98 GLN HA H 1 3.538 0.030 . 1 . . . . 98 GLN HA . 11088 1 1201 . 1 1 98 98 GLN HB2 H 1 1.982 0.030 . 2 . . . . 98 GLN HB2 . 11088 1 1202 . 1 1 98 98 GLN HB3 H 1 1.827 0.030 . 2 . . . . 98 GLN HB3 . 11088 1 1203 . 1 1 98 98 GLN HE21 H 1 6.992 0.030 . 2 . . . . 98 GLN HE21 . 11088 1 1204 . 1 1 98 98 GLN HE22 H 1 7.872 0.030 . 2 . . . . 98 GLN HE22 . 11088 1 1205 . 1 1 98 98 GLN HG2 H 1 2.361 0.030 . 2 . . . . 98 GLN HG2 . 11088 1 1206 . 1 1 98 98 GLN HG3 H 1 2.277 0.030 . 2 . . . . 98 GLN HG3 . 11088 1 1207 . 1 1 98 98 GLN C C 13 177.284 0.300 . 1 . . . . 98 GLN C . 11088 1 1208 . 1 1 98 98 GLN CA C 13 57.568 0.300 . 1 . . . . 98 GLN CA . 11088 1 1209 . 1 1 98 98 GLN CB C 13 28.494 0.300 . 1 . . . . 98 GLN CB . 11088 1 1210 . 1 1 98 98 GLN CG C 13 33.278 0.300 . 1 . . . . 98 GLN CG . 11088 1 1211 . 1 1 98 98 GLN N N 15 122.738 0.300 . 1 . . . . 98 GLN N . 11088 1 1212 . 1 1 98 98 GLN NE2 N 15 115.862 0.300 . 1 . . . . 98 GLN NE2 . 11088 1 1213 . 1 1 99 99 GLU H H 1 8.752 0.030 . 1 . . . . 99 GLU H . 11088 1 1214 . 1 1 99 99 GLU HA H 1 4.066 0.030 . 1 . . . . 99 GLU HA . 11088 1 1215 . 1 1 99 99 GLU HB2 H 1 2.055 0.030 . 2 . . . . 99 GLU HB2 . 11088 1 1216 . 1 1 99 99 GLU HB3 H 1 1.923 0.030 . 2 . . . . 99 GLU HB3 . 11088 1 1217 . 1 1 99 99 GLU HG2 H 1 2.400 0.030 . 2 . . . . 99 GLU HG2 . 11088 1 1218 . 1 1 99 99 GLU HG3 H 1 2.293 0.030 . 2 . . . . 99 GLU HG3 . 11088 1 1219 . 1 1 99 99 GLU C C 13 179.500 0.300 . 1 . . . . 99 GLU C . 11088 1 1220 . 1 1 99 99 GLU CA C 13 60.124 0.300 . 1 . . . . 99 GLU CA . 11088 1 1221 . 1 1 99 99 GLU CB C 13 28.644 0.300 . 1 . . . . 99 GLU CB . 11088 1 1222 . 1 1 99 99 GLU CG C 13 36.879 0.300 . 1 . . . . 99 GLU CG . 11088 1 1223 . 1 1 99 99 GLU N N 15 118.793 0.300 . 1 . . . . 99 GLU N . 11088 1 1224 . 1 1 100 100 ASP H H 1 7.888 0.030 . 1 . . . . 100 ASP H . 11088 1 1225 . 1 1 100 100 ASP HA H 1 4.598 0.030 . 1 . . . . 100 ASP HA . 11088 1 1226 . 1 1 100 100 ASP HB2 H 1 2.962 0.030 . 2 . . . . 100 ASP HB2 . 11088 1 1227 . 1 1 100 100 ASP HB3 H 1 2.910 0.030 . 2 . . . . 100 ASP HB3 . 11088 1 1228 . 1 1 100 100 ASP C C 13 178.375 0.300 . 1 . . . . 100 ASP C . 11088 1 1229 . 1 1 100 100 ASP CA C 13 57.418 0.300 . 1 . . . . 100 ASP CA . 11088 1 1230 . 1 1 100 100 ASP CB C 13 40.946 0.300 . 1 . . . . 100 ASP CB . 11088 1 1231 . 1 1 100 100 ASP N N 15 120.362 0.300 . 1 . . . . 100 ASP N . 11088 1 1232 . 1 1 101 101 VAL H H 1 7.593 0.030 . 1 . . . . 101 VAL H . 11088 1 1233 . 1 1 101 101 VAL HA H 1 3.841 0.030 . 1 . . . . 101 VAL HA . 11088 1 1234 . 1 1 101 101 VAL HB H 1 2.284 0.030 . 1 . . . . 101 VAL HB . 11088 1 1235 . 1 1 101 101 VAL HG11 H 1 0.971 0.030 . 1 . . . . 101 VAL HG1 . 11088 1 1236 . 1 1 101 101 VAL HG12 H 1 0.971 0.030 . 1 . . . . 101 VAL HG1 . 11088 1 1237 . 1 1 101 101 VAL HG13 H 1 0.971 0.030 . 1 . . . . 101 VAL HG1 . 11088 1 1238 . 1 1 101 101 VAL HG21 H 1 1.155 0.030 . 1 . . . . 101 VAL HG2 . 11088 1 1239 . 1 1 101 101 VAL HG22 H 1 1.155 0.030 . 1 . . . . 101 VAL HG2 . 11088 1 1240 . 1 1 101 101 VAL HG23 H 1 1.155 0.030 . 1 . . . . 101 VAL HG2 . 11088 1 1241 . 1 1 101 101 VAL C C 13 177.787 0.300 . 1 . . . . 101 VAL C . 11088 1 1242 . 1 1 101 101 VAL CA C 13 67.094 0.300 . 1 . . . . 101 VAL CA . 11088 1 1243 . 1 1 101 101 VAL CB C 13 31.372 0.300 . 1 . . . . 101 VAL CB . 11088 1 1244 . 1 1 101 101 VAL CG1 C 13 21.338 0.300 . 2 . . . . 101 VAL CG1 . 11088 1 1245 . 1 1 101 101 VAL CG2 C 13 24.250 0.300 . 2 . . . . 101 VAL CG2 . 11088 1 1246 . 1 1 101 101 VAL N N 15 121.785 0.300 . 1 . . . . 101 VAL N . 11088 1 1247 . 1 1 102 102 ASP H H 1 8.537 0.030 . 1 . . . . 102 ASP H . 11088 1 1248 . 1 1 102 102 ASP HA H 1 4.303 0.030 . 1 . . . . 102 ASP HA . 11088 1 1249 . 1 1 102 102 ASP HB2 H 1 2.747 0.030 . 2 . . . . 102 ASP HB2 . 11088 1 1250 . 1 1 102 102 ASP HB3 H 1 2.599 0.030 . 2 . . . . 102 ASP HB3 . 11088 1 1251 . 1 1 102 102 ASP C C 13 179.852 0.300 . 1 . . . . 102 ASP C . 11088 1 1252 . 1 1 102 102 ASP CA C 13 57.770 0.300 . 1 . . . . 102 ASP CA . 11088 1 1253 . 1 1 102 102 ASP CB C 13 39.663 0.300 . 1 . . . . 102 ASP CB . 11088 1 1254 . 1 1 102 102 ASP N N 15 120.921 0.300 . 1 . . . . 102 ASP N . 11088 1 1255 . 1 1 103 103 SER H H 1 8.243 0.030 . 1 . . . . 103 SER H . 11088 1 1256 . 1 1 103 103 SER HA H 1 4.276 0.030 . 1 . . . . 103 SER HA . 11088 1 1257 . 1 1 103 103 SER HB2 H 1 3.800 0.030 . 2 . . . . 103 SER HB2 . 11088 1 1258 . 1 1 103 103 SER HB3 H 1 4.026 0.030 . 2 . . . . 103 SER HB3 . 11088 1 1259 . 1 1 103 103 SER C C 13 178.544 0.300 . 1 . . . . 103 SER C . 11088 1 1260 . 1 1 103 103 SER CA C 13 61.353 0.300 . 1 . . . . 103 SER CA . 11088 1 1261 . 1 1 103 103 SER CB C 13 62.208 0.300 . 1 . . . . 103 SER CB . 11088 1 1262 . 1 1 103 103 SER N N 15 117.351 0.300 . 1 . . . . 103 SER N . 11088 1 1263 . 1 1 104 104 TRP H H 1 8.723 0.030 . 1 . . . . 104 TRP H . 11088 1 1264 . 1 1 104 104 TRP HA H 1 3.967 0.030 . 1 . . . . 104 TRP HA . 11088 1 1265 . 1 1 104 104 TRP HB2 H 1 2.951 0.030 . 2 . . . . 104 TRP HB2 . 11088 1 1266 . 1 1 104 104 TRP HB3 H 1 3.192 0.030 . 2 . . . . 104 TRP HB3 . 11088 1 1267 . 1 1 104 104 TRP HD1 H 1 7.340 0.030 . 1 . . . . 104 TRP HD1 . 11088 1 1268 . 1 1 104 104 TRP HE1 H 1 10.751 0.030 . 1 . . . . 104 TRP HE1 . 11088 1 1269 . 1 1 104 104 TRP HE3 H 1 7.229 0.030 . 1 . . . . 104 TRP HE3 . 11088 1 1270 . 1 1 104 104 TRP HH2 H 1 6.609 0.030 . 1 . . . . 104 TRP HH2 . 11088 1 1271 . 1 1 104 104 TRP HZ2 H 1 6.747 0.030 . 1 . . . . 104 TRP HZ2 . 11088 1 1272 . 1 1 104 104 TRP HZ3 H 1 6.502 0.030 . 1 . . . . 104 TRP HZ3 . 11088 1 1273 . 1 1 104 104 TRP C C 13 178.985 0.300 . 1 . . . . 104 TRP C . 11088 1 1274 . 1 1 104 104 TRP CA C 13 62.872 0.300 . 1 . . . . 104 TRP CA . 11088 1 1275 . 1 1 104 104 TRP CB C 13 28.867 0.300 . 1 . . . . 104 TRP CB . 11088 1 1276 . 1 1 104 104 TRP CD1 C 13 127.675 0.300 . 1 . . . . 104 TRP CD1 . 11088 1 1277 . 1 1 104 104 TRP CE3 C 13 119.346 0.300 . 1 . . . . 104 TRP CE3 . 11088 1 1278 . 1 1 104 104 TRP CH2 C 13 123.986 0.300 . 1 . . . . 104 TRP CH2 . 11088 1 1279 . 1 1 104 104 TRP CZ2 C 13 114.098 0.300 . 1 . . . . 104 TRP CZ2 . 11088 1 1280 . 1 1 104 104 TRP CZ3 C 13 120.816 0.300 . 1 . . . . 104 TRP CZ3 . 11088 1 1281 . 1 1 104 104 TRP N N 15 124.961 0.300 . 1 . . . . 104 TRP N . 11088 1 1282 . 1 1 104 104 TRP NE1 N 15 131.011 0.300 . 1 . . . . 104 TRP NE1 . 11088 1 1283 . 1 1 105 105 LYS H H 1 8.992 0.030 . 1 . . . . 105 LYS H . 11088 1 1284 . 1 1 105 105 LYS HA H 1 3.796 0.030 . 1 . . . . 105 LYS HA . 11088 1 1285 . 1 1 105 105 LYS HB2 H 1 1.772 0.030 . 2 . . . . 105 LYS HB2 . 11088 1 1286 . 1 1 105 105 LYS HB3 H 1 1.865 0.030 . 2 . . . . 105 LYS HB3 . 11088 1 1287 . 1 1 105 105 LYS HD2 H 1 1.575 0.030 . 1 . . . . 105 LYS HD2 . 11088 1 1288 . 1 1 105 105 LYS HD3 H 1 1.575 0.030 . 1 . . . . 105 LYS HD3 . 11088 1 1289 . 1 1 105 105 LYS HE2 H 1 2.678 0.030 . 2 . . . . 105 LYS HE2 . 11088 1 1290 . 1 1 105 105 LYS HE3 H 1 2.607 0.030 . 2 . . . . 105 LYS HE3 . 11088 1 1291 . 1 1 105 105 LYS HG2 H 1 0.871 0.030 . 2 . . . . 105 LYS HG2 . 11088 1 1292 . 1 1 105 105 LYS HG3 H 1 1.375 0.030 . 2 . . . . 105 LYS HG3 . 11088 1 1293 . 1 1 105 105 LYS C C 13 179.457 0.300 . 1 . . . . 105 LYS C . 11088 1 1294 . 1 1 105 105 LYS CA C 13 61.659 0.300 . 1 . . . . 105 LYS CA . 11088 1 1295 . 1 1 105 105 LYS CB C 13 32.180 0.300 . 1 . . . . 105 LYS CB . 11088 1 1296 . 1 1 105 105 LYS CD C 13 30.124 0.300 . 1 . . . . 105 LYS CD . 11088 1 1297 . 1 1 105 105 LYS CE C 13 41.226 0.300 . 1 . . . . 105 LYS CE . 11088 1 1298 . 1 1 105 105 LYS CG C 13 26.342 0.300 . 1 . . . . 105 LYS CG . 11088 1 1299 . 1 1 105 105 LYS N N 15 119.434 0.300 . 1 . . . . 105 LYS N . 11088 1 1300 . 1 1 106 106 ALA H H 1 8.079 0.030 . 1 . . . . 106 ALA H . 11088 1 1301 . 1 1 106 106 ALA HA H 1 4.165 0.030 . 1 . . . . 106 ALA HA . 11088 1 1302 . 1 1 106 106 ALA HB1 H 1 1.502 0.030 . 1 . . . . 106 ALA HB . 11088 1 1303 . 1 1 106 106 ALA HB2 H 1 1.502 0.030 . 1 . . . . 106 ALA HB . 11088 1 1304 . 1 1 106 106 ALA HB3 H 1 1.502 0.030 . 1 . . . . 106 ALA HB . 11088 1 1305 . 1 1 106 106 ALA C C 13 180.812 0.300 . 1 . . . . 106 ALA C . 11088 1 1306 . 1 1 106 106 ALA CA C 13 54.990 0.300 . 1 . . . . 106 ALA CA . 11088 1 1307 . 1 1 106 106 ALA CB C 13 17.924 0.300 . 1 . . . . 106 ALA CB . 11088 1 1308 . 1 1 106 106 ALA N N 15 121.167 0.300 . 1 . . . . 106 ALA N . 11088 1 1309 . 1 1 107 107 SER H H 1 7.960 0.030 . 1 . . . . 107 SER H . 11088 1 1310 . 1 1 107 107 SER HA H 1 4.011 0.030 . 1 . . . . 107 SER HA . 11088 1 1311 . 1 1 107 107 SER HB2 H 1 3.357 0.030 . 2 . . . . 107 SER HB2 . 11088 1 1312 . 1 1 107 107 SER HB3 H 1 3.792 0.030 . 2 . . . . 107 SER HB3 . 11088 1 1313 . 1 1 107 107 SER C C 13 175.007 0.300 . 1 . . . . 107 SER C . 11088 1 1314 . 1 1 107 107 SER CA C 13 62.921 0.300 . 1 . . . . 107 SER CA . 11088 1 1315 . 1 1 107 107 SER CB C 13 62.234 0.300 . 1 . . . . 107 SER CB . 11088 1 1316 . 1 1 107 107 SER N N 15 117.840 0.300 . 1 . . . . 107 SER N . 11088 1 1317 . 1 1 108 108 PHE H H 1 8.569 0.030 . 1 . . . . 108 PHE H . 11088 1 1318 . 1 1 108 108 PHE HA H 1 4.046 0.030 . 1 . . . . 108 PHE HA . 11088 1 1319 . 1 1 108 108 PHE HB2 H 1 3.240 0.030 . 2 . . . . 108 PHE HB2 . 11088 1 1320 . 1 1 108 108 PHE HB3 H 1 2.953 0.030 . 2 . . . . 108 PHE HB3 . 11088 1 1321 . 1 1 108 108 PHE HD1 H 1 7.277 0.030 . 1 . . . . 108 PHE HD1 . 11088 1 1322 . 1 1 108 108 PHE HD2 H 1 7.277 0.030 . 1 . . . . 108 PHE HD2 . 11088 1 1323 . 1 1 108 108 PHE HE1 H 1 7.184 0.030 . 1 . . . . 108 PHE HE1 . 11088 1 1324 . 1 1 108 108 PHE HE2 H 1 7.184 0.030 . 1 . . . . 108 PHE HE2 . 11088 1 1325 . 1 1 108 108 PHE HZ H 1 7.056 0.030 . 1 . . . . 108 PHE HZ . 11088 1 1326 . 1 1 108 108 PHE C C 13 178.239 0.300 . 1 . . . . 108 PHE C . 11088 1 1327 . 1 1 108 108 PHE CA C 13 63.927 0.300 . 1 . . . . 108 PHE CA . 11088 1 1328 . 1 1 108 108 PHE CB C 13 37.927 0.300 . 1 . . . . 108 PHE CB . 11088 1 1329 . 1 1 108 108 PHE CD1 C 13 132.115 0.300 . 1 . . . . 108 PHE CD1 . 11088 1 1330 . 1 1 108 108 PHE CD2 C 13 132.115 0.300 . 1 . . . . 108 PHE CD2 . 11088 1 1331 . 1 1 108 108 PHE CE1 C 13 130.819 0.300 . 1 . . . . 108 PHE CE1 . 11088 1 1332 . 1 1 108 108 PHE CE2 C 13 130.819 0.300 . 1 . . . . 108 PHE CE2 . 11088 1 1333 . 1 1 108 108 PHE CZ C 13 128.745 0.300 . 1 . . . . 108 PHE CZ . 11088 1 1334 . 1 1 108 108 PHE N N 15 121.121 0.300 . 1 . . . . 108 PHE N . 11088 1 1335 . 1 1 109 109 LEU H H 1 7.933 0.030 . 1 . . . . 109 LEU H . 11088 1 1336 . 1 1 109 109 LEU HA H 1 4.346 0.030 . 1 . . . . 109 LEU HA . 11088 1 1337 . 1 1 109 109 LEU HB2 H 1 1.806 0.030 . 1 . . . . 109 LEU HB2 . 11088 1 1338 . 1 1 109 109 LEU HB3 H 1 1.806 0.030 . 1 . . . . 109 LEU HB3 . 11088 1 1339 . 1 1 109 109 LEU HD11 H 1 0.940 0.030 . 1 . . . . 109 LEU HD1 . 11088 1 1340 . 1 1 109 109 LEU HD12 H 1 0.940 0.030 . 1 . . . . 109 LEU HD1 . 11088 1 1341 . 1 1 109 109 LEU HD13 H 1 0.940 0.030 . 1 . . . . 109 LEU HD1 . 11088 1 1342 . 1 1 109 109 LEU HD21 H 1 0.940 0.030 . 1 . . . . 109 LEU HD2 . 11088 1 1343 . 1 1 109 109 LEU HD22 H 1 0.940 0.030 . 1 . . . . 109 LEU HD2 . 11088 1 1344 . 1 1 109 109 LEU HD23 H 1 0.940 0.030 . 1 . . . . 109 LEU HD2 . 11088 1 1345 . 1 1 109 109 LEU HG H 1 1.687 0.030 . 1 . . . . 109 LEU HG . 11088 1 1346 . 1 1 109 109 LEU C C 13 181.882 0.300 . 1 . . . . 109 LEU C . 11088 1 1347 . 1 1 109 109 LEU CA C 13 58.473 0.300 . 1 . . . . 109 LEU CA . 11088 1 1348 . 1 1 109 109 LEU CB C 13 41.502 0.300 . 1 . . . . 109 LEU CB . 11088 1 1349 . 1 1 109 109 LEU CD1 C 13 24.450 0.300 . 1 . . . . 109 LEU CD1 . 11088 1 1350 . 1 1 109 109 LEU CD2 C 13 24.450 0.300 . 1 . . . . 109 LEU CD2 . 11088 1 1351 . 1 1 109 109 LEU CG C 13 27.152 0.300 . 1 . . . . 109 LEU CG . 11088 1 1352 . 1 1 109 109 LEU N N 15 120.574 0.300 . 1 . . . . 109 LEU N . 11088 1 1353 . 1 1 110 110 ARG H H 1 7.761 0.030 . 1 . . . . 110 ARG H . 11088 1 1354 . 1 1 110 110 ARG HA H 1 4.085 0.030 . 1 . . . . 110 ARG HA . 11088 1 1355 . 1 1 110 110 ARG HB2 H 1 2.009 0.030 . 1 . . . . 110 ARG HB2 . 11088 1 1356 . 1 1 110 110 ARG HB3 H 1 2.009 0.030 . 1 . . . . 110 ARG HB3 . 11088 1 1357 . 1 1 110 110 ARG HD2 H 1 3.139 0.030 . 2 . . . . 110 ARG HD2 . 11088 1 1358 . 1 1 110 110 ARG HD3 H 1 3.208 0.030 . 2 . . . . 110 ARG HD3 . 11088 1 1359 . 1 1 110 110 ARG HG2 H 1 1.651 0.030 . 2 . . . . 110 ARG HG2 . 11088 1 1360 . 1 1 110 110 ARG HG3 H 1 1.845 0.030 . 2 . . . . 110 ARG HG3 . 11088 1 1361 . 1 1 110 110 ARG C C 13 177.499 0.300 . 1 . . . . 110 ARG C . 11088 1 1362 . 1 1 110 110 ARG CA C 13 58.860 0.300 . 1 . . . . 110 ARG CA . 11088 1 1363 . 1 1 110 110 ARG CB C 13 29.713 0.300 . 1 . . . . 110 ARG CB . 11088 1 1364 . 1 1 110 110 ARG CD C 13 43.528 0.300 . 1 . . . . 110 ARG CD . 11088 1 1365 . 1 1 110 110 ARG CG C 13 27.493 0.300 . 1 . . . . 110 ARG CG . 11088 1 1366 . 1 1 110 110 ARG N N 15 121.111 0.300 . 1 . . . . 110 ARG N . 11088 1 1367 . 1 1 111 111 ALA H H 1 7.737 0.030 . 1 . . . . 111 ALA H . 11088 1 1368 . 1 1 111 111 ALA HA H 1 4.218 0.030 . 1 . . . . 111 ALA HA . 11088 1 1369 . 1 1 111 111 ALA HB1 H 1 1.482 0.030 . 1 . . . . 111 ALA HB . 11088 1 1370 . 1 1 111 111 ALA HB2 H 1 1.482 0.030 . 1 . . . . 111 ALA HB . 11088 1 1371 . 1 1 111 111 ALA HB3 H 1 1.482 0.030 . 1 . . . . 111 ALA HB . 11088 1 1372 . 1 1 111 111 ALA C C 13 176.328 0.300 . 1 . . . . 111 ALA C . 11088 1 1373 . 1 1 111 111 ALA CA C 13 52.210 0.300 . 1 . . . . 111 ALA CA . 11088 1 1374 . 1 1 111 111 ALA CB C 13 19.377 0.300 . 1 . . . . 111 ALA CB . 11088 1 1375 . 1 1 111 111 ALA N N 15 120.966 0.300 . 1 . . . . 111 ALA N . 11088 1 1376 . 1 1 112 112 GLY H H 1 7.886 0.030 . 1 . . . . 112 GLY H . 11088 1 1377 . 1 1 112 112 GLY HA2 H 1 3.795 0.030 . 2 . . . . 112 GLY HA2 . 11088 1 1378 . 1 1 112 112 GLY HA3 H 1 4.250 0.030 . 2 . . . . 112 GLY HA3 . 11088 1 1379 . 1 1 112 112 GLY C C 13 173.707 0.300 . 1 . . . . 112 GLY C . 11088 1 1380 . 1 1 112 112 GLY CA C 13 45.455 0.300 . 1 . . . . 112 GLY CA . 11088 1 1381 . 1 1 112 112 GLY N N 15 106.073 0.300 . 1 . . . . 112 GLY N . 11088 1 1382 . 1 1 113 113 VAL H H 1 8.062 0.030 . 1 . . . . 113 VAL H . 11088 1 1383 . 1 1 113 113 VAL HA H 1 3.998 0.030 . 1 . . . . 113 VAL HA . 11088 1 1384 . 1 1 113 113 VAL HB H 1 2.096 0.030 . 1 . . . . 113 VAL HB . 11088 1 1385 . 1 1 113 113 VAL HG11 H 1 0.786 0.030 . 1 . . . . 113 VAL HG1 . 11088 1 1386 . 1 1 113 113 VAL HG12 H 1 0.786 0.030 . 1 . . . . 113 VAL HG1 . 11088 1 1387 . 1 1 113 113 VAL HG13 H 1 0.786 0.030 . 1 . . . . 113 VAL HG1 . 11088 1 1388 . 1 1 113 113 VAL HG21 H 1 1.016 0.030 . 1 . . . . 113 VAL HG2 . 11088 1 1389 . 1 1 113 113 VAL HG22 H 1 1.016 0.030 . 1 . . . . 113 VAL HG2 . 11088 1 1390 . 1 1 113 113 VAL HG23 H 1 1.016 0.030 . 1 . . . . 113 VAL HG2 . 11088 1 1391 . 1 1 113 113 VAL C C 13 180.089 0.300 . 1 . . . . 113 VAL C . 11088 1 1392 . 1 1 113 113 VAL CA C 13 64.701 0.300 . 1 . . . . 113 VAL CA . 11088 1 1393 . 1 1 113 113 VAL CB C 13 33.249 0.300 . 1 . . . . 113 VAL CB . 11088 1 1394 . 1 1 113 113 VAL CG1 C 13 21.229 0.300 . 2 . . . . 113 VAL CG1 . 11088 1 1395 . 1 1 113 113 VAL CG2 C 13 22.602 0.300 . 2 . . . . 113 VAL CG2 . 11088 1 1396 . 1 1 113 113 VAL N N 15 127.407 0.300 . 1 . . . . 113 VAL N . 11088 1 stop_ save_