data_10312 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10312 _Entry.Title ; Solution structure of the PH domain of Protein kinase C, nu type from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-11 _Entry.Accession_date 2009-03-11 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 . . . 10312 2 T. Tomizawa . . . 10312 3 S. Koshiba . . . 10312 4 M. Inoue . . . 10312 5 T. Kigawa . . . 10312 6 S. Yokoyama . . . 10312 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 545 10312 '15N chemical shifts' 131 10312 '1H chemical shifts' 844 10312 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 . . 2010-03-11 2009-03-11 original author . 10312 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D9Z 'BMRB Entry Tracking System' 10312 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10312 _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 Protein kinase C, nu type 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 . . . 10312 1 2 T. Tomizawa . . . 10312 1 3 S. Koshiba . . . 10312 1 4 M. Inoue . . . 10312 1 5 T. Kigawa . . . 10312 1 6 S. Yokoyama . . . 10312 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10312 _Assembly.ID 1 _Assembly.Name 'Solution structure of the PH domain of Protein kinase C, nu type from human' _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 . . yes native no no . . . 10312 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 . PDB 2D9Z . . . . . . 10312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10312 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMVKEGWMVHYTSR DNLRKRHYWRLDSKCLTLFQ NESGSKYYKEIPLSEILRIS SPRDFTNISQGSNPHCFEII TDTMVYFVGENNGDSSHNPV LAATGVGLDVAQSWEKAIRQ ALMSGPSSG ; _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 129 _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 2D9Z . "Solution Structure Of The Ph Domain Of Protein Kinase C, Nu Type From Human" . . . . . 100.00 129 100.00 100.00 2.12e-90 . . . . 10312 1 2 no DBJ BAA36514 . "serine/threonine kinase [Homo sapiens]" . . . . . 92.25 890 99.16 99.16 3.37e-75 . . . . 10312 1 3 no DBJ BAG51354 . "unnamed protein product [Homo sapiens]" . . . . . 92.25 631 99.16 99.16 8.49e-77 . . . . 10312 1 4 no GB AAH30706 . "PRKD3 protein [Homo sapiens]" . . . . . 92.25 611 99.16 99.16 3.42e-77 . . . . 10312 1 5 no GB AAY14817 . "unknown [Homo sapiens]" . . . . . 92.25 890 99.16 99.16 3.37e-75 . . . . 10312 1 6 no GB ADZ15743 . "protein kinase D3 [synthetic construct]" . . . . . 92.25 611 99.16 99.16 3.42e-77 . . . . 10312 1 7 no GB AIC62718 . "PRKD3, partial [synthetic construct]" . . . . . 92.25 611 99.16 99.16 3.42e-77 . . . . 10312 1 8 no GB EAX00398 . "protein kinase D3, isoform CRA_a [Homo sapiens]" . . . . . 92.25 890 99.16 99.16 3.37e-75 . . . . 10312 1 9 no REF NP_001244477 . "serine/threonine-protein kinase D3 [Macaca mulatta]" . . . . . 92.25 890 99.16 99.16 3.23e-75 . . . . 10312 1 10 no REF NP_005804 . "serine/threonine-protein kinase D3 [Homo sapiens]" . . . . . 92.25 890 99.16 99.16 3.37e-75 . . . . 10312 1 11 no REF XP_002757895 . "PREDICTED: serine/threonine-protein kinase D3 isoform X2 [Callithrix jacchus]" . . . . . 92.25 890 99.16 99.16 3.30e-75 . . . . 10312 1 12 no REF XP_002812168 . "PREDICTED: serine/threonine-protein kinase D3 [Pongo abelii]" . . . . . 92.25 890 99.16 99.16 3.37e-75 . . . . 10312 1 13 no REF XP_003125283 . "PREDICTED: serine/threonine-protein kinase D3 isoform X2 [Sus scrofa]" . . . . . 92.25 890 97.48 98.32 1.05e-73 . . . . 10312 1 14 no SP O94806 . "RecName: Full=Serine/threonine-protein kinase D3; AltName: Full=Protein kinase C nu type; AltName: Full=Protein kinase EPK2; Al" . . . . . 92.25 890 99.16 99.16 3.37e-75 . . . . 10312 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10312 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 . 10312 1 2 . SER . 10312 1 3 . SER . 10312 1 4 . GLY . 10312 1 5 . SER . 10312 1 6 . SER . 10312 1 7 . GLY . 10312 1 8 . MET . 10312 1 9 . VAL . 10312 1 10 . LYS . 10312 1 11 . GLU . 10312 1 12 . GLY . 10312 1 13 . TRP . 10312 1 14 . MET . 10312 1 15 . VAL . 10312 1 16 . HIS . 10312 1 17 . TYR . 10312 1 18 . THR . 10312 1 19 . SER . 10312 1 20 . ARG . 10312 1 21 . ASP . 10312 1 22 . ASN . 10312 1 23 . LEU . 10312 1 24 . ARG . 10312 1 25 . LYS . 10312 1 26 . ARG . 10312 1 27 . HIS . 10312 1 28 . TYR . 10312 1 29 . TRP . 10312 1 30 . ARG . 10312 1 31 . LEU . 10312 1 32 . ASP . 10312 1 33 . SER . 10312 1 34 . LYS . 10312 1 35 . CYS . 10312 1 36 . LEU . 10312 1 37 . THR . 10312 1 38 . LEU . 10312 1 39 . PHE . 10312 1 40 . GLN . 10312 1 41 . ASN . 10312 1 42 . GLU . 10312 1 43 . SER . 10312 1 44 . GLY . 10312 1 45 . SER . 10312 1 46 . LYS . 10312 1 47 . TYR . 10312 1 48 . TYR . 10312 1 49 . LYS . 10312 1 50 . GLU . 10312 1 51 . ILE . 10312 1 52 . PRO . 10312 1 53 . LEU . 10312 1 54 . SER . 10312 1 55 . GLU . 10312 1 56 . ILE . 10312 1 57 . LEU . 10312 1 58 . ARG . 10312 1 59 . ILE . 10312 1 60 . SER . 10312 1 61 . SER . 10312 1 62 . PRO . 10312 1 63 . ARG . 10312 1 64 . ASP . 10312 1 65 . PHE . 10312 1 66 . THR . 10312 1 67 . ASN . 10312 1 68 . ILE . 10312 1 69 . SER . 10312 1 70 . GLN . 10312 1 71 . GLY . 10312 1 72 . SER . 10312 1 73 . ASN . 10312 1 74 . PRO . 10312 1 75 . HIS . 10312 1 76 . CYS . 10312 1 77 . PHE . 10312 1 78 . GLU . 10312 1 79 . ILE . 10312 1 80 . ILE . 10312 1 81 . THR . 10312 1 82 . ASP . 10312 1 83 . THR . 10312 1 84 . MET . 10312 1 85 . VAL . 10312 1 86 . TYR . 10312 1 87 . PHE . 10312 1 88 . VAL . 10312 1 89 . GLY . 10312 1 90 . GLU . 10312 1 91 . ASN . 10312 1 92 . ASN . 10312 1 93 . GLY . 10312 1 94 . ASP . 10312 1 95 . SER . 10312 1 96 . SER . 10312 1 97 . HIS . 10312 1 98 . ASN . 10312 1 99 . PRO . 10312 1 100 . VAL . 10312 1 101 . LEU . 10312 1 102 . ALA . 10312 1 103 . ALA . 10312 1 104 . THR . 10312 1 105 . GLY . 10312 1 106 . VAL . 10312 1 107 . GLY . 10312 1 108 . LEU . 10312 1 109 . ASP . 10312 1 110 . VAL . 10312 1 111 . ALA . 10312 1 112 . GLN . 10312 1 113 . SER . 10312 1 114 . TRP . 10312 1 115 . GLU . 10312 1 116 . LYS . 10312 1 117 . ALA . 10312 1 118 . ILE . 10312 1 119 . ARG . 10312 1 120 . GLN . 10312 1 121 . ALA . 10312 1 122 . LEU . 10312 1 123 . MET . 10312 1 124 . SER . 10312 1 125 . GLY . 10312 1 126 . PRO . 10312 1 127 . SER . 10312 1 128 . SER . 10312 1 129 . GLY . 10312 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 10312 1 . SER 2 2 10312 1 . SER 3 3 10312 1 . GLY 4 4 10312 1 . SER 5 5 10312 1 . SER 6 6 10312 1 . GLY 7 7 10312 1 . MET 8 8 10312 1 . VAL 9 9 10312 1 . LYS 10 10 10312 1 . GLU 11 11 10312 1 . GLY 12 12 10312 1 . TRP 13 13 10312 1 . MET 14 14 10312 1 . VAL 15 15 10312 1 . HIS 16 16 10312 1 . TYR 17 17 10312 1 . THR 18 18 10312 1 . SER 19 19 10312 1 . ARG 20 20 10312 1 . ASP 21 21 10312 1 . ASN 22 22 10312 1 . LEU 23 23 10312 1 . ARG 24 24 10312 1 . LYS 25 25 10312 1 . ARG 26 26 10312 1 . HIS 27 27 10312 1 . TYR 28 28 10312 1 . TRP 29 29 10312 1 . ARG 30 30 10312 1 . LEU 31 31 10312 1 . ASP 32 32 10312 1 . SER 33 33 10312 1 . LYS 34 34 10312 1 . CYS 35 35 10312 1 . LEU 36 36 10312 1 . THR 37 37 10312 1 . LEU 38 38 10312 1 . PHE 39 39 10312 1 . GLN 40 40 10312 1 . ASN 41 41 10312 1 . GLU 42 42 10312 1 . SER 43 43 10312 1 . GLY 44 44 10312 1 . SER 45 45 10312 1 . LYS 46 46 10312 1 . TYR 47 47 10312 1 . TYR 48 48 10312 1 . LYS 49 49 10312 1 . GLU 50 50 10312 1 . ILE 51 51 10312 1 . PRO 52 52 10312 1 . LEU 53 53 10312 1 . SER 54 54 10312 1 . GLU 55 55 10312 1 . ILE 56 56 10312 1 . LEU 57 57 10312 1 . ARG 58 58 10312 1 . ILE 59 59 10312 1 . SER 60 60 10312 1 . SER 61 61 10312 1 . PRO 62 62 10312 1 . ARG 63 63 10312 1 . ASP 64 64 10312 1 . PHE 65 65 10312 1 . THR 66 66 10312 1 . ASN 67 67 10312 1 . ILE 68 68 10312 1 . SER 69 69 10312 1 . GLN 70 70 10312 1 . GLY 71 71 10312 1 . SER 72 72 10312 1 . ASN 73 73 10312 1 . PRO 74 74 10312 1 . HIS 75 75 10312 1 . CYS 76 76 10312 1 . PHE 77 77 10312 1 . GLU 78 78 10312 1 . ILE 79 79 10312 1 . ILE 80 80 10312 1 . THR 81 81 10312 1 . ASP 82 82 10312 1 . THR 83 83 10312 1 . MET 84 84 10312 1 . VAL 85 85 10312 1 . TYR 86 86 10312 1 . PHE 87 87 10312 1 . VAL 88 88 10312 1 . GLY 89 89 10312 1 . GLU 90 90 10312 1 . ASN 91 91 10312 1 . ASN 92 92 10312 1 . GLY 93 93 10312 1 . ASP 94 94 10312 1 . SER 95 95 10312 1 . SER 96 96 10312 1 . HIS 97 97 10312 1 . ASN 98 98 10312 1 . PRO 99 99 10312 1 . VAL 100 100 10312 1 . LEU 101 101 10312 1 . ALA 102 102 10312 1 . ALA 103 103 10312 1 . THR 104 104 10312 1 . GLY 105 105 10312 1 . VAL 106 106 10312 1 . GLY 107 107 10312 1 . LEU 108 108 10312 1 . ASP 109 109 10312 1 . VAL 110 110 10312 1 . ALA 111 111 10312 1 . GLN 112 112 10312 1 . SER 113 113 10312 1 . TRP 114 114 10312 1 . GLU 115 115 10312 1 . LYS 116 116 10312 1 . ALA 117 117 10312 1 . ILE 118 118 10312 1 . ARG 119 119 10312 1 . GLN 120 120 10312 1 . ALA 121 121 10312 1 . LEU 122 122 10312 1 . MET 123 123 10312 1 . SER 124 124 10312 1 . GLY 125 125 10312 1 . PRO 126 126 10312 1 . SER 127 127 10312 1 . SER 128 128 10312 1 . GLY 129 129 10312 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 10312 _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 . . . . . . . . . . . . . . . . . . . . . 10312 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 10312 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P050711-24 . . . . . . 10312 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10312 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.42 . . mM . . . . 10312 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10312 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10312 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10312 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10312 1 6 H2O . . . . . . solvent 90 . . % . . . . 10312 1 7 D2O . . . . . . solvent 10 . . % . . . . 10312 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 10312 _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 10312 1 pH 7.0 0.05 pH 10312 1 pressure 1 0.001 atm 10312 1 temperature 296 0.1 K 10312 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10312 _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 . . 10312 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10312 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10312 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10312 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10312 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10312 _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.' . . 10312 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10312 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10312 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10312 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10312 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10312 _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.' . . 10312 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10312 5 'structure solution' 10312 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 10312 _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 10312 _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 . . . 10312 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 10312 _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 . . . . . . . . . . . . . . . . 10312 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10312 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 10312 _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 . . . . . . . . . 10312 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10312 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10312 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 10312 _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 10312 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10312 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 6 6 SER HA H 1 4.488 0.030 . 1 . . . . 6 SER HA . 10312 1 2 . 1 1 6 6 SER HB2 H 1 3.895 0.030 . 1 . . . . 6 SER HB2 . 10312 1 3 . 1 1 6 6 SER HB3 H 1 3.895 0.030 . 1 . . . . 6 SER HB3 . 10312 1 4 . 1 1 6 6 SER C C 13 175.045 0.300 . 1 . . . . 6 SER C . 10312 1 5 . 1 1 6 6 SER CA C 13 58.653 0.300 . 1 . . . . 6 SER CA . 10312 1 6 . 1 1 6 6 SER CB C 13 63.677 0.300 . 1 . . . . 6 SER CB . 10312 1 7 . 1 1 7 7 GLY H H 1 8.440 0.030 . 1 . . . . 7 GLY H . 10312 1 8 . 1 1 7 7 GLY HA2 H 1 3.965 0.030 . 1 . . . . 7 GLY HA2 . 10312 1 9 . 1 1 7 7 GLY HA3 H 1 3.965 0.030 . 1 . . . . 7 GLY HA3 . 10312 1 10 . 1 1 7 7 GLY C C 13 173.907 0.300 . 1 . . . . 7 GLY C . 10312 1 11 . 1 1 7 7 GLY CA C 13 45.418 0.300 . 1 . . . . 7 GLY CA . 10312 1 12 . 1 1 7 7 GLY N N 15 110.880 0.300 . 1 . . . . 7 GLY N . 10312 1 13 . 1 1 8 8 MET H H 1 8.136 0.030 . 1 . . . . 8 MET H . 10312 1 14 . 1 1 8 8 MET HA H 1 4.458 0.030 . 1 . . . . 8 MET HA . 10312 1 15 . 1 1 8 8 MET HB2 H 1 2.014 0.030 . 2 . . . . 8 MET HB2 . 10312 1 16 . 1 1 8 8 MET HB3 H 1 1.952 0.030 . 2 . . . . 8 MET HB3 . 10312 1 17 . 1 1 8 8 MET HE1 H 1 2.022 0.030 . 1 . . . . 8 MET HE . 10312 1 18 . 1 1 8 8 MET HE2 H 1 2.022 0.030 . 1 . . . . 8 MET HE . 10312 1 19 . 1 1 8 8 MET HE3 H 1 2.022 0.030 . 1 . . . . 8 MET HE . 10312 1 20 . 1 1 8 8 MET HG2 H 1 2.474 0.030 . 2 . . . . 8 MET HG2 . 10312 1 21 . 1 1 8 8 MET HG3 H 1 2.590 0.030 . 2 . . . . 8 MET HG3 . 10312 1 22 . 1 1 8 8 MET C C 13 176.234 0.300 . 1 . . . . 8 MET C . 10312 1 23 . 1 1 8 8 MET CA C 13 55.688 0.300 . 1 . . . . 8 MET CA . 10312 1 24 . 1 1 8 8 MET CB C 13 32.275 0.300 . 1 . . . . 8 MET CB . 10312 1 25 . 1 1 8 8 MET CE C 13 17.215 0.300 . 1 . . . . 8 MET CE . 10312 1 26 . 1 1 8 8 MET CG C 13 32.116 0.300 . 1 . . . . 8 MET CG . 10312 1 27 . 1 1 8 8 MET N N 15 120.361 0.300 . 1 . . . . 8 MET N . 10312 1 28 . 1 1 9 9 VAL H H 1 8.847 0.030 . 1 . . . . 9 VAL H . 10312 1 29 . 1 1 9 9 VAL HA H 1 4.162 0.030 . 1 . . . . 9 VAL HA . 10312 1 30 . 1 1 9 9 VAL HB H 1 1.775 0.030 . 1 . . . . 9 VAL HB . 10312 1 31 . 1 1 9 9 VAL HG11 H 1 0.849 0.030 . 1 . . . . 9 VAL HG1 . 10312 1 32 . 1 1 9 9 VAL HG12 H 1 0.849 0.030 . 1 . . . . 9 VAL HG1 . 10312 1 33 . 1 1 9 9 VAL HG13 H 1 0.849 0.030 . 1 . . . . 9 VAL HG1 . 10312 1 34 . 1 1 9 9 VAL HG21 H 1 0.852 0.030 . 1 . . . . 9 VAL HG2 . 10312 1 35 . 1 1 9 9 VAL HG22 H 1 0.852 0.030 . 1 . . . . 9 VAL HG2 . 10312 1 36 . 1 1 9 9 VAL HG23 H 1 0.852 0.030 . 1 . . . . 9 VAL HG2 . 10312 1 37 . 1 1 9 9 VAL C C 13 175.878 0.300 . 1 . . . . 9 VAL C . 10312 1 38 . 1 1 9 9 VAL CA C 13 63.100 0.300 . 1 . . . . 9 VAL CA . 10312 1 39 . 1 1 9 9 VAL CB C 13 33.493 0.300 . 1 . . . . 9 VAL CB . 10312 1 40 . 1 1 9 9 VAL CG1 C 13 21.155 0.300 . 2 . . . . 9 VAL CG1 . 10312 1 41 . 1 1 9 9 VAL CG2 C 13 20.773 0.300 . 2 . . . . 9 VAL CG2 . 10312 1 42 . 1 1 9 9 VAL N N 15 123.850 0.300 . 1 . . . . 9 VAL N . 10312 1 43 . 1 1 10 10 LYS H H 1 7.842 0.030 . 1 . . . . 10 LYS H . 10312 1 44 . 1 1 10 10 LYS HA H 1 4.295 0.030 . 1 . . . . 10 LYS HA . 10312 1 45 . 1 1 10 10 LYS HB2 H 1 1.242 0.030 . 2 . . . . 10 LYS HB2 . 10312 1 46 . 1 1 10 10 LYS HB3 H 1 0.921 0.030 . 2 . . . . 10 LYS HB3 . 10312 1 47 . 1 1 10 10 LYS HD2 H 1 0.773 0.030 . 2 . . . . 10 LYS HD2 . 10312 1 48 . 1 1 10 10 LYS HD3 H 1 -0.415 0.030 . 2 . . . . 10 LYS HD3 . 10312 1 49 . 1 1 10 10 LYS HE2 H 1 0.965 0.030 . 2 . . . . 10 LYS HE2 . 10312 1 50 . 1 1 10 10 LYS HE3 H 1 1.772 0.030 . 2 . . . . 10 LYS HE3 . 10312 1 51 . 1 1 10 10 LYS HG2 H 1 0.054 0.030 . 2 . . . . 10 LYS HG2 . 10312 1 52 . 1 1 10 10 LYS HG3 H 1 0.862 0.030 . 2 . . . . 10 LYS HG3 . 10312 1 53 . 1 1 10 10 LYS C C 13 172.850 0.300 . 1 . . . . 10 LYS C . 10312 1 54 . 1 1 10 10 LYS CA C 13 56.235 0.300 . 1 . . . . 10 LYS CA . 10312 1 55 . 1 1 10 10 LYS CB C 13 36.015 0.300 . 1 . . . . 10 LYS CB . 10312 1 56 . 1 1 10 10 LYS CD C 13 28.965 0.300 . 1 . . . . 10 LYS CD . 10312 1 57 . 1 1 10 10 LYS CE C 13 40.420 0.300 . 1 . . . . 10 LYS CE . 10312 1 58 . 1 1 10 10 LYS CG C 13 25.275 0.300 . 1 . . . . 10 LYS CG . 10312 1 59 . 1 1 10 10 LYS N N 15 121.823 0.300 . 1 . . . . 10 LYS N . 10312 1 60 . 1 1 11 11 GLU H H 1 8.386 0.030 . 1 . . . . 11 GLU H . 10312 1 61 . 1 1 11 11 GLU HA H 1 6.012 0.030 . 1 . . . . 11 GLU HA . 10312 1 62 . 1 1 11 11 GLU HB2 H 1 2.077 0.030 . 2 . . . . 11 GLU HB2 . 10312 1 63 . 1 1 11 11 GLU HB3 H 1 2.249 0.030 . 2 . . . . 11 GLU HB3 . 10312 1 64 . 1 1 11 11 GLU HG2 H 1 2.265 0.030 . 1 . . . . 11 GLU HG2 . 10312 1 65 . 1 1 11 11 GLU HG3 H 1 2.265 0.030 . 1 . . . . 11 GLU HG3 . 10312 1 66 . 1 1 11 11 GLU C C 13 175.686 0.300 . 1 . . . . 11 GLU C . 10312 1 67 . 1 1 11 11 GLU CA C 13 54.266 0.300 . 1 . . . . 11 GLU CA . 10312 1 68 . 1 1 11 11 GLU CB C 13 34.241 0.300 . 1 . . . . 11 GLU CB . 10312 1 69 . 1 1 11 11 GLU CG C 13 35.923 0.300 . 1 . . . . 11 GLU CG . 10312 1 70 . 1 1 11 11 GLU N N 15 121.816 0.300 . 1 . . . . 11 GLU N . 10312 1 71 . 1 1 12 12 GLY H H 1 8.441 0.030 . 1 . . . . 12 GLY H . 10312 1 72 . 1 1 12 12 GLY HA2 H 1 3.722 0.030 . 1 . . . . 12 GLY HA2 . 10312 1 73 . 1 1 12 12 GLY HA3 H 1 3.722 0.030 . 1 . . . . 12 GLY HA3 . 10312 1 74 . 1 1 12 12 GLY C C 13 171.375 0.300 . 1 . . . . 12 GLY C . 10312 1 75 . 1 1 12 12 GLY CA C 13 45.489 0.300 . 1 . . . . 12 GLY CA . 10312 1 76 . 1 1 12 12 GLY N N 15 109.257 0.300 . 1 . . . . 12 GLY N . 10312 1 77 . 1 1 13 13 TRP H H 1 8.504 0.030 . 1 . . . . 13 TRP H . 10312 1 78 . 1 1 13 13 TRP HA H 1 5.013 0.030 . 1 . . . . 13 TRP HA . 10312 1 79 . 1 1 13 13 TRP HB2 H 1 3.105 0.030 . 2 . . . . 13 TRP HB2 . 10312 1 80 . 1 1 13 13 TRP HB3 H 1 2.899 0.030 . 2 . . . . 13 TRP HB3 . 10312 1 81 . 1 1 13 13 TRP HD1 H 1 7.727 0.030 . 1 . . . . 13 TRP HD1 . 10312 1 82 . 1 1 13 13 TRP HE1 H 1 10.642 0.030 . 1 . . . . 13 TRP HE1 . 10312 1 83 . 1 1 13 13 TRP HE3 H 1 7.469 0.030 . 1 . . . . 13 TRP HE3 . 10312 1 84 . 1 1 13 13 TRP HH2 H 1 7.418 0.030 . 1 . . . . 13 TRP HH2 . 10312 1 85 . 1 1 13 13 TRP HZ2 H 1 7.699 0.030 . 1 . . . . 13 TRP HZ2 . 10312 1 86 . 1 1 13 13 TRP HZ3 H 1 6.909 0.030 . 1 . . . . 13 TRP HZ3 . 10312 1 87 . 1 1 13 13 TRP C C 13 176.240 0.300 . 1 . . . . 13 TRP C . 10312 1 88 . 1 1 13 13 TRP CA C 13 58.026 0.300 . 1 . . . . 13 TRP CA . 10312 1 89 . 1 1 13 13 TRP CB C 13 30.748 0.300 . 1 . . . . 13 TRP CB . 10312 1 90 . 1 1 13 13 TRP CD1 C 13 128.214 0.300 . 1 . . . . 13 TRP CD1 . 10312 1 91 . 1 1 13 13 TRP CE3 C 13 120.491 0.300 . 1 . . . . 13 TRP CE3 . 10312 1 92 . 1 1 13 13 TRP CH2 C 13 124.456 0.300 . 1 . . . . 13 TRP CH2 . 10312 1 93 . 1 1 13 13 TRP CZ2 C 13 114.906 0.300 . 1 . . . . 13 TRP CZ2 . 10312 1 94 . 1 1 13 13 TRP CZ3 C 13 121.435 0.300 . 1 . . . . 13 TRP CZ3 . 10312 1 95 . 1 1 13 13 TRP N N 15 120.674 0.300 . 1 . . . . 13 TRP N . 10312 1 96 . 1 1 13 13 TRP NE1 N 15 130.638 0.300 . 1 . . . . 13 TRP NE1 . 10312 1 97 . 1 1 14 14 MET H H 1 8.874 0.030 . 1 . . . . 14 MET H . 10312 1 98 . 1 1 14 14 MET HA H 1 4.725 0.030 . 1 . . . . 14 MET HA . 10312 1 99 . 1 1 14 14 MET HB2 H 1 -0.918 0.030 . 2 . . . . 14 MET HB2 . 10312 1 100 . 1 1 14 14 MET HB3 H 1 0.659 0.030 . 2 . . . . 14 MET HB3 . 10312 1 101 . 1 1 14 14 MET HE1 H 1 1.892 0.030 . 1 . . . . 14 MET HE . 10312 1 102 . 1 1 14 14 MET HE2 H 1 1.892 0.030 . 1 . . . . 14 MET HE . 10312 1 103 . 1 1 14 14 MET HE3 H 1 1.892 0.030 . 1 . . . . 14 MET HE . 10312 1 104 . 1 1 14 14 MET HG2 H 1 0.375 0.030 . 2 . . . . 14 MET HG2 . 10312 1 105 . 1 1 14 14 MET HG3 H 1 0.971 0.030 . 2 . . . . 14 MET HG3 . 10312 1 106 . 1 1 14 14 MET C C 13 173.538 0.300 . 1 . . . . 14 MET C . 10312 1 107 . 1 1 14 14 MET CA C 13 53.588 0.300 . 1 . . . . 14 MET CA . 10312 1 108 . 1 1 14 14 MET CB C 13 28.992 0.300 . 1 . . . . 14 MET CB . 10312 1 109 . 1 1 14 14 MET CE C 13 14.399 0.300 . 1 . . . . 14 MET CE . 10312 1 110 . 1 1 14 14 MET CG C 13 29.022 0.300 . 1 . . . . 14 MET CG . 10312 1 111 . 1 1 14 14 MET N N 15 116.448 0.300 . 1 . . . . 14 MET N . 10312 1 112 . 1 1 15 15 VAL H H 1 8.115 0.030 . 1 . . . . 15 VAL H . 10312 1 113 . 1 1 15 15 VAL HA H 1 5.962 0.030 . 1 . . . . 15 VAL HA . 10312 1 114 . 1 1 15 15 VAL HB H 1 1.895 0.030 . 1 . . . . 15 VAL HB . 10312 1 115 . 1 1 15 15 VAL HG11 H 1 0.921 0.030 . 1 . . . . 15 VAL HG1 . 10312 1 116 . 1 1 15 15 VAL HG12 H 1 0.921 0.030 . 1 . . . . 15 VAL HG1 . 10312 1 117 . 1 1 15 15 VAL HG13 H 1 0.921 0.030 . 1 . . . . 15 VAL HG1 . 10312 1 118 . 1 1 15 15 VAL HG21 H 1 0.873 0.030 . 1 . . . . 15 VAL HG2 . 10312 1 119 . 1 1 15 15 VAL HG22 H 1 0.873 0.030 . 1 . . . . 15 VAL HG2 . 10312 1 120 . 1 1 15 15 VAL HG23 H 1 0.873 0.030 . 1 . . . . 15 VAL HG2 . 10312 1 121 . 1 1 15 15 VAL C C 13 175.739 0.300 . 1 . . . . 15 VAL C . 10312 1 122 . 1 1 15 15 VAL CA C 13 58.212 0.300 . 1 . . . . 15 VAL CA . 10312 1 123 . 1 1 15 15 VAL CB C 13 35.270 0.300 . 1 . . . . 15 VAL CB . 10312 1 124 . 1 1 15 15 VAL CG1 C 13 21.012 0.300 . 2 . . . . 15 VAL CG1 . 10312 1 125 . 1 1 15 15 VAL CG2 C 13 18.846 0.300 . 2 . . . . 15 VAL CG2 . 10312 1 126 . 1 1 15 15 VAL N N 15 117.189 0.300 . 1 . . . . 15 VAL N . 10312 1 127 . 1 1 16 16 HIS H H 1 8.974 0.030 . 1 . . . . 16 HIS H . 10312 1 128 . 1 1 16 16 HIS HA H 1 5.750 0.030 . 1 . . . . 16 HIS HA . 10312 1 129 . 1 1 16 16 HIS HB2 H 1 3.354 0.030 . 2 . . . . 16 HIS HB2 . 10312 1 130 . 1 1 16 16 HIS HB3 H 1 3.299 0.030 . 2 . . . . 16 HIS HB3 . 10312 1 131 . 1 1 16 16 HIS HD2 H 1 6.829 0.030 . 1 . . . . 16 HIS HD2 . 10312 1 132 . 1 1 16 16 HIS HE1 H 1 6.824 0.030 . 1 . . . . 16 HIS HE1 . 10312 1 133 . 1 1 16 16 HIS C C 13 172.362 0.300 . 1 . . . . 16 HIS C . 10312 1 134 . 1 1 16 16 HIS CA C 13 56.835 0.300 . 1 . . . . 16 HIS CA . 10312 1 135 . 1 1 16 16 HIS CB C 13 33.082 0.300 . 1 . . . . 16 HIS CB . 10312 1 136 . 1 1 16 16 HIS CD2 C 13 128.826 0.300 . 1 . . . . 16 HIS CD2 . 10312 1 137 . 1 1 16 16 HIS CE1 C 13 135.950 0.300 . 1 . . . . 16 HIS CE1 . 10312 1 138 . 1 1 16 16 HIS N N 15 117.416 0.300 . 1 . . . . 16 HIS N . 10312 1 139 . 1 1 17 17 TYR H H 1 8.554 0.030 . 1 . . . . 17 TYR H . 10312 1 140 . 1 1 17 17 TYR HA H 1 5.249 0.030 . 1 . . . . 17 TYR HA . 10312 1 141 . 1 1 17 17 TYR HB2 H 1 3.571 0.030 . 2 . . . . 17 TYR HB2 . 10312 1 142 . 1 1 17 17 TYR HB3 H 1 2.484 0.030 . 2 . . . . 17 TYR HB3 . 10312 1 143 . 1 1 17 17 TYR HD1 H 1 7.043 0.030 . 1 . . . . 17 TYR HD1 . 10312 1 144 . 1 1 17 17 TYR HD2 H 1 7.043 0.030 . 1 . . . . 17 TYR HD2 . 10312 1 145 . 1 1 17 17 TYR HE1 H 1 6.174 0.030 . 1 . . . . 17 TYR HE1 . 10312 1 146 . 1 1 17 17 TYR HE2 H 1 6.174 0.030 . 1 . . . . 17 TYR HE2 . 10312 1 147 . 1 1 17 17 TYR C C 13 174.477 0.300 . 1 . . . . 17 TYR C . 10312 1 148 . 1 1 17 17 TYR CA C 13 57.118 0.300 . 1 . . . . 17 TYR CA . 10312 1 149 . 1 1 17 17 TYR CB C 13 39.291 0.300 . 1 . . . . 17 TYR CB . 10312 1 150 . 1 1 17 17 TYR CD1 C 13 133.736 0.300 . 1 . . . . 17 TYR CD1 . 10312 1 151 . 1 1 17 17 TYR CD2 C 13 133.736 0.300 . 1 . . . . 17 TYR CD2 . 10312 1 152 . 1 1 17 17 TYR CE1 C 13 119.012 0.300 . 1 . . . . 17 TYR CE1 . 10312 1 153 . 1 1 17 17 TYR CE2 C 13 119.012 0.300 . 1 . . . . 17 TYR CE2 . 10312 1 154 . 1 1 17 17 TYR N N 15 116.001 0.300 . 1 . . . . 17 TYR N . 10312 1 155 . 1 1 18 18 THR H H 1 8.806 0.030 . 1 . . . . 18 THR H . 10312 1 156 . 1 1 18 18 THR HA H 1 5.880 0.030 . 1 . . . . 18 THR HA . 10312 1 157 . 1 1 18 18 THR HB H 1 4.488 0.030 . 1 . . . . 18 THR HB . 10312 1 158 . 1 1 18 18 THR HG21 H 1 1.320 0.030 . 1 . . . . 18 THR HG2 . 10312 1 159 . 1 1 18 18 THR HG22 H 1 1.320 0.030 . 1 . . . . 18 THR HG2 . 10312 1 160 . 1 1 18 18 THR HG23 H 1 1.320 0.030 . 1 . . . . 18 THR HG2 . 10312 1 161 . 1 1 18 18 THR C C 13 175.052 0.300 . 1 . . . . 18 THR C . 10312 1 162 . 1 1 18 18 THR CA C 13 60.136 0.300 . 1 . . . . 18 THR CA . 10312 1 163 . 1 1 18 18 THR CB C 13 74.426 0.300 . 1 . . . . 18 THR CB . 10312 1 164 . 1 1 18 18 THR CG2 C 13 22.787 0.300 . 1 . . . . 18 THR CG2 . 10312 1 165 . 1 1 18 18 THR N N 15 110.997 0.300 . 1 . . . . 18 THR N . 10312 1 166 . 1 1 19 19 SER H H 1 8.722 0.030 . 1 . . . . 19 SER H . 10312 1 167 . 1 1 19 19 SER HA H 1 4.302 0.030 . 1 . . . . 19 SER HA . 10312 1 168 . 1 1 19 19 SER HB2 H 1 3.983 0.030 . 2 . . . . 19 SER HB2 . 10312 1 169 . 1 1 19 19 SER HB3 H 1 4.232 0.030 . 2 . . . . 19 SER HB3 . 10312 1 170 . 1 1 19 19 SER C C 13 174.645 0.300 . 1 . . . . 19 SER C . 10312 1 171 . 1 1 19 19 SER CA C 13 60.100 0.300 . 1 . . . . 19 SER CA . 10312 1 172 . 1 1 19 19 SER CB C 13 62.485 0.300 . 1 . . . . 19 SER CB . 10312 1 173 . 1 1 19 19 SER N N 15 111.146 0.300 . 1 . . . . 19 SER N . 10312 1 174 . 1 1 20 20 ARG H H 1 7.720 0.030 . 1 . . . . 20 ARG H . 10312 1 175 . 1 1 20 20 ARG HA H 1 4.541 0.030 . 1 . . . . 20 ARG HA . 10312 1 176 . 1 1 20 20 ARG HB2 H 1 1.933 0.030 . 2 . . . . 20 ARG HB2 . 10312 1 177 . 1 1 20 20 ARG HB3 H 1 1.592 0.030 . 2 . . . . 20 ARG HB3 . 10312 1 178 . 1 1 20 20 ARG HD2 H 1 3.202 0.030 . 1 . . . . 20 ARG HD2 . 10312 1 179 . 1 1 20 20 ARG HD3 H 1 3.202 0.030 . 1 . . . . 20 ARG HD3 . 10312 1 180 . 1 1 20 20 ARG HG2 H 1 1.662 0.030 . 2 . . . . 20 ARG HG2 . 10312 1 181 . 1 1 20 20 ARG HG3 H 1 1.629 0.030 . 2 . . . . 20 ARG HG3 . 10312 1 182 . 1 1 20 20 ARG C C 13 175.386 0.300 . 1 . . . . 20 ARG C . 10312 1 183 . 1 1 20 20 ARG CA C 13 55.953 0.300 . 1 . . . . 20 ARG CA . 10312 1 184 . 1 1 20 20 ARG CB C 13 31.847 0.300 . 1 . . . . 20 ARG CB . 10312 1 185 . 1 1 20 20 ARG CD C 13 43.134 0.300 . 1 . . . . 20 ARG CD . 10312 1 186 . 1 1 20 20 ARG CG C 13 27.324 0.300 . 1 . . . . 20 ARG CG . 10312 1 187 . 1 1 20 20 ARG N N 15 118.215 0.300 . 1 . . . . 20 ARG N . 10312 1 188 . 1 1 21 21 ASP H H 1 7.517 0.030 . 1 . . . . 21 ASP H . 10312 1 189 . 1 1 21 21 ASP HA H 1 4.699 0.030 . 1 . . . . 21 ASP HA . 10312 1 190 . 1 1 21 21 ASP HB2 H 1 2.842 0.030 . 2 . . . . 21 ASP HB2 . 10312 1 191 . 1 1 21 21 ASP HB3 H 1 2.546 0.030 . 2 . . . . 21 ASP HB3 . 10312 1 192 . 1 1 21 21 ASP C C 13 175.535 0.300 . 1 . . . . 21 ASP C . 10312 1 193 . 1 1 21 21 ASP CA C 13 53.695 0.300 . 1 . . . . 21 ASP CA . 10312 1 194 . 1 1 21 21 ASP CB C 13 42.005 0.300 . 1 . . . . 21 ASP CB . 10312 1 195 . 1 1 21 21 ASP N N 15 120.452 0.300 . 1 . . . . 21 ASP N . 10312 1 196 . 1 1 22 22 ASN H H 1 8.709 0.030 . 1 . . . . 22 ASN H . 10312 1 197 . 1 1 22 22 ASN HA H 1 4.541 0.030 . 1 . . . . 22 ASN HA . 10312 1 198 . 1 1 22 22 ASN HB2 H 1 2.746 0.030 . 1 . . . . 22 ASN HB2 . 10312 1 199 . 1 1 22 22 ASN HB3 H 1 2.746 0.030 . 1 . . . . 22 ASN HB3 . 10312 1 200 . 1 1 22 22 ASN HD21 H 1 7.318 0.030 . 2 . . . . 22 ASN HD21 . 10312 1 201 . 1 1 22 22 ASN HD22 H 1 6.678 0.030 . 2 . . . . 22 ASN HD22 . 10312 1 202 . 1 1 22 22 ASN C C 13 173.944 0.300 . 1 . . . . 22 ASN C . 10312 1 203 . 1 1 22 22 ASN CA C 13 53.579 0.300 . 1 . . . . 22 ASN CA . 10312 1 204 . 1 1 22 22 ASN CB C 13 37.608 0.300 . 1 . . . . 22 ASN CB . 10312 1 205 . 1 1 22 22 ASN N N 15 125.309 0.300 . 1 . . . . 22 ASN N . 10312 1 206 . 1 1 22 22 ASN ND2 N 15 109.920 0.300 . 1 . . . . 22 ASN ND2 . 10312 1 207 . 1 1 23 23 LEU H H 1 7.923 0.030 . 1 . . . . 23 LEU H . 10312 1 208 . 1 1 23 23 LEU HA H 1 4.237 0.030 . 1 . . . . 23 LEU HA . 10312 1 209 . 1 1 23 23 LEU HB2 H 1 1.551 0.030 . 2 . . . . 23 LEU HB2 . 10312 1 210 . 1 1 23 23 LEU HB3 H 1 1.642 0.030 . 2 . . . . 23 LEU HB3 . 10312 1 211 . 1 1 23 23 LEU HD11 H 1 0.856 0.030 . 1 . . . . 23 LEU HD1 . 10312 1 212 . 1 1 23 23 LEU HD12 H 1 0.856 0.030 . 1 . . . . 23 LEU HD1 . 10312 1 213 . 1 1 23 23 LEU HD13 H 1 0.856 0.030 . 1 . . . . 23 LEU HD1 . 10312 1 214 . 1 1 23 23 LEU HD21 H 1 0.921 0.030 . 1 . . . . 23 LEU HD2 . 10312 1 215 . 1 1 23 23 LEU HD22 H 1 0.921 0.030 . 1 . . . . 23 LEU HD2 . 10312 1 216 . 1 1 23 23 LEU HD23 H 1 0.921 0.030 . 1 . . . . 23 LEU HD2 . 10312 1 217 . 1 1 23 23 LEU HG H 1 1.476 0.030 . 1 . . . . 23 LEU HG . 10312 1 218 . 1 1 23 23 LEU C C 13 176.191 0.300 . 1 . . . . 23 LEU C . 10312 1 219 . 1 1 23 23 LEU CA C 13 54.594 0.300 . 1 . . . . 23 LEU CA . 10312 1 220 . 1 1 23 23 LEU CB C 13 41.951 0.300 . 1 . . . . 23 LEU CB . 10312 1 221 . 1 1 23 23 LEU CD1 C 13 24.982 0.300 . 2 . . . . 23 LEU CD1 . 10312 1 222 . 1 1 23 23 LEU CD2 C 13 24.100 0.300 . 2 . . . . 23 LEU CD2 . 10312 1 223 . 1 1 23 23 LEU CG C 13 26.642 0.300 . 1 . . . . 23 LEU CG . 10312 1 224 . 1 1 23 23 LEU N N 15 121.760 0.300 . 1 . . . . 23 LEU N . 10312 1 225 . 1 1 24 24 ARG H H 1 8.562 0.030 . 1 . . . . 24 ARG H . 10312 1 226 . 1 1 24 24 ARG HA H 1 4.383 0.030 . 1 . . . . 24 ARG HA . 10312 1 227 . 1 1 24 24 ARG HB2 H 1 1.585 0.030 . 2 . . . . 24 ARG HB2 . 10312 1 228 . 1 1 24 24 ARG HB3 H 1 1.752 0.030 . 2 . . . . 24 ARG HB3 . 10312 1 229 . 1 1 24 24 ARG HD2 H 1 3.066 0.030 . 2 . . . . 24 ARG HD2 . 10312 1 230 . 1 1 24 24 ARG HD3 H 1 3.329 0.030 . 2 . . . . 24 ARG HD3 . 10312 1 231 . 1 1 24 24 ARG HE H 1 7.427 0.030 . 1 . . . . 24 ARG HE . 10312 1 232 . 1 1 24 24 ARG HG2 H 1 1.583 0.030 . 2 . . . . 24 ARG HG2 . 10312 1 233 . 1 1 24 24 ARG HG3 H 1 1.532 0.030 . 2 . . . . 24 ARG HG3 . 10312 1 234 . 1 1 24 24 ARG C C 13 176.372 0.300 . 1 . . . . 24 ARG C . 10312 1 235 . 1 1 24 24 ARG CA C 13 57.524 0.300 . 1 . . . . 24 ARG CA . 10312 1 236 . 1 1 24 24 ARG CB C 13 30.920 0.300 . 1 . . . . 24 ARG CB . 10312 1 237 . 1 1 24 24 ARG CD C 13 44.267 0.300 . 1 . . . . 24 ARG CD . 10312 1 238 . 1 1 24 24 ARG CG C 13 30.805 0.300 . 1 . . . . 24 ARG CG . 10312 1 239 . 1 1 24 24 ARG N N 15 127.409 0.300 . 1 . . . . 24 ARG N . 10312 1 240 . 1 1 24 24 ARG NE N 15 85.944 0.300 . 1 . . . . 24 ARG NE . 10312 1 241 . 1 1 25 25 LYS H H 1 8.715 0.030 . 1 . . . . 25 LYS H . 10312 1 242 . 1 1 25 25 LYS HA H 1 4.531 0.030 . 1 . . . . 25 LYS HA . 10312 1 243 . 1 1 25 25 LYS HB2 H 1 1.312 0.030 . 2 . . . . 25 LYS HB2 . 10312 1 244 . 1 1 25 25 LYS HB3 H 1 1.733 0.030 . 2 . . . . 25 LYS HB3 . 10312 1 245 . 1 1 25 25 LYS HD2 H 1 1.522 0.030 . 2 . . . . 25 LYS HD2 . 10312 1 246 . 1 1 25 25 LYS HD3 H 1 1.671 0.030 . 2 . . . . 25 LYS HD3 . 10312 1 247 . 1 1 25 25 LYS HE2 H 1 3.011 0.030 . 1 . . . . 25 LYS HE2 . 10312 1 248 . 1 1 25 25 LYS HE3 H 1 3.011 0.030 . 1 . . . . 25 LYS HE3 . 10312 1 249 . 1 1 25 25 LYS HG2 H 1 1.302 0.030 . 2 . . . . 25 LYS HG2 . 10312 1 250 . 1 1 25 25 LYS HG3 H 1 1.462 0.030 . 2 . . . . 25 LYS HG3 . 10312 1 251 . 1 1 25 25 LYS C C 13 174.182 0.300 . 1 . . . . 25 LYS C . 10312 1 252 . 1 1 25 25 LYS CA C 13 54.806 0.300 . 1 . . . . 25 LYS CA . 10312 1 253 . 1 1 25 25 LYS CB C 13 38.097 0.300 . 1 . . . . 25 LYS CB . 10312 1 254 . 1 1 25 25 LYS CD C 13 29.670 0.300 . 1 . . . . 25 LYS CD . 10312 1 255 . 1 1 25 25 LYS CE C 13 42.456 0.300 . 1 . . . . 25 LYS CE . 10312 1 256 . 1 1 25 25 LYS CG C 13 24.857 0.300 . 1 . . . . 25 LYS CG . 10312 1 257 . 1 1 25 25 LYS N N 15 123.811 0.300 . 1 . . . . 25 LYS N . 10312 1 258 . 1 1 26 26 ARG H H 1 8.373 0.030 . 1 . . . . 26 ARG H . 10312 1 259 . 1 1 26 26 ARG HA H 1 5.161 0.030 . 1 . . . . 26 ARG HA . 10312 1 260 . 1 1 26 26 ARG HB2 H 1 1.792 0.030 . 2 . . . . 26 ARG HB2 . 10312 1 261 . 1 1 26 26 ARG HB3 H 1 1.663 0.030 . 2 . . . . 26 ARG HB3 . 10312 1 262 . 1 1 26 26 ARG HD2 H 1 2.941 0.030 . 1 . . . . 26 ARG HD2 . 10312 1 263 . 1 1 26 26 ARG HD3 H 1 2.941 0.030 . 1 . . . . 26 ARG HD3 . 10312 1 264 . 1 1 26 26 ARG HG2 H 1 1.673 0.030 . 2 . . . . 26 ARG HG2 . 10312 1 265 . 1 1 26 26 ARG HG3 H 1 1.576 0.030 . 2 . . . . 26 ARG HG3 . 10312 1 266 . 1 1 26 26 ARG C C 13 174.289 0.300 . 1 . . . . 26 ARG C . 10312 1 267 . 1 1 26 26 ARG CA C 13 54.911 0.300 . 1 . . . . 26 ARG CA . 10312 1 268 . 1 1 26 26 ARG CB C 13 32.880 0.300 . 1 . . . . 26 ARG CB . 10312 1 269 . 1 1 26 26 ARG CD C 13 43.198 0.300 . 1 . . . . 26 ARG CD . 10312 1 270 . 1 1 26 26 ARG CG C 13 28.558 0.300 . 1 . . . . 26 ARG CG . 10312 1 271 . 1 1 26 26 ARG N N 15 121.842 0.300 . 1 . . . . 26 ARG N . 10312 1 272 . 1 1 27 27 HIS H H 1 8.911 0.030 . 1 . . . . 27 HIS H . 10312 1 273 . 1 1 27 27 HIS HA H 1 5.010 0.030 . 1 . . . . 27 HIS HA . 10312 1 274 . 1 1 27 27 HIS HB2 H 1 3.636 0.030 . 2 . . . . 27 HIS HB2 . 10312 1 275 . 1 1 27 27 HIS HB3 H 1 2.920 0.030 . 2 . . . . 27 HIS HB3 . 10312 1 276 . 1 1 27 27 HIS HD2 H 1 6.621 0.030 . 1 . . . . 27 HIS HD2 . 10312 1 277 . 1 1 27 27 HIS HE1 H 1 7.566 0.030 . 1 . . . . 27 HIS HE1 . 10312 1 278 . 1 1 27 27 HIS C C 13 171.853 0.300 . 1 . . . . 27 HIS C . 10312 1 279 . 1 1 27 27 HIS CA C 13 57.704 0.300 . 1 . . . . 27 HIS CA . 10312 1 280 . 1 1 27 27 HIS CB C 13 34.982 0.300 . 1 . . . . 27 HIS CB . 10312 1 281 . 1 1 27 27 HIS CD2 C 13 117.182 0.300 . 1 . . . . 27 HIS CD2 . 10312 1 282 . 1 1 27 27 HIS CE1 C 13 139.080 0.300 . 1 . . . . 27 HIS CE1 . 10312 1 283 . 1 1 27 27 HIS N N 15 121.454 0.300 . 1 . . . . 27 HIS N . 10312 1 284 . 1 1 28 28 TYR H H 1 9.034 0.030 . 1 . . . . 28 TYR H . 10312 1 285 . 1 1 28 28 TYR HA H 1 3.999 0.030 . 1 . . . . 28 TYR HA . 10312 1 286 . 1 1 28 28 TYR HB2 H 1 2.404 0.030 . 2 . . . . 28 TYR HB2 . 10312 1 287 . 1 1 28 28 TYR HB3 H 1 0.812 0.030 . 2 . . . . 28 TYR HB3 . 10312 1 288 . 1 1 28 28 TYR HD1 H 1 5.538 0.030 . 1 . . . . 28 TYR HD1 . 10312 1 289 . 1 1 28 28 TYR HD2 H 1 5.538 0.030 . 1 . . . . 28 TYR HD2 . 10312 1 290 . 1 1 28 28 TYR HE1 H 1 6.491 0.030 . 1 . . . . 28 TYR HE1 . 10312 1 291 . 1 1 28 28 TYR HE2 H 1 6.491 0.030 . 1 . . . . 28 TYR HE2 . 10312 1 292 . 1 1 28 28 TYR C C 13 174.630 0.300 . 1 . . . . 28 TYR C . 10312 1 293 . 1 1 28 28 TYR CA C 13 58.741 0.300 . 1 . . . . 28 TYR CA . 10312 1 294 . 1 1 28 28 TYR CB C 13 37.912 0.300 . 1 . . . . 28 TYR CB . 10312 1 295 . 1 1 28 28 TYR CD1 C 13 132.315 0.300 . 1 . . . . 28 TYR CD1 . 10312 1 296 . 1 1 28 28 TYR CD2 C 13 132.315 0.300 . 1 . . . . 28 TYR CD2 . 10312 1 297 . 1 1 28 28 TYR CE1 C 13 117.529 0.300 . 1 . . . . 28 TYR CE1 . 10312 1 298 . 1 1 28 28 TYR CE2 C 13 117.529 0.300 . 1 . . . . 28 TYR CE2 . 10312 1 299 . 1 1 28 28 TYR N N 15 126.302 0.300 . 1 . . . . 28 TYR N . 10312 1 300 . 1 1 29 29 TRP H H 1 9.137 0.030 . 1 . . . . 29 TRP H . 10312 1 301 . 1 1 29 29 TRP HA H 1 5.071 0.030 . 1 . . . . 29 TRP HA . 10312 1 302 . 1 1 29 29 TRP HB2 H 1 2.778 0.030 . 2 . . . . 29 TRP HB2 . 10312 1 303 . 1 1 29 29 TRP HB3 H 1 2.192 0.030 . 2 . . . . 29 TRP HB3 . 10312 1 304 . 1 1 29 29 TRP HD1 H 1 6.970 0.030 . 1 . . . . 29 TRP HD1 . 10312 1 305 . 1 1 29 29 TRP HE1 H 1 10.738 0.030 . 1 . . . . 29 TRP HE1 . 10312 1 306 . 1 1 29 29 TRP HE3 H 1 6.171 0.030 . 1 . . . . 29 TRP HE3 . 10312 1 307 . 1 1 29 29 TRP HH2 H 1 6.464 0.030 . 1 . . . . 29 TRP HH2 . 10312 1 308 . 1 1 29 29 TRP HZ2 H 1 6.653 0.030 . 1 . . . . 29 TRP HZ2 . 10312 1 309 . 1 1 29 29 TRP HZ3 H 1 6.403 0.030 . 1 . . . . 29 TRP HZ3 . 10312 1 310 . 1 1 29 29 TRP C C 13 175.562 0.300 . 1 . . . . 29 TRP C . 10312 1 311 . 1 1 29 29 TRP CA C 13 57.436 0.300 . 1 . . . . 29 TRP CA . 10312 1 312 . 1 1 29 29 TRP CB C 13 31.147 0.300 . 1 . . . . 29 TRP CB . 10312 1 313 . 1 1 29 29 TRP CD1 C 13 122.347 0.300 . 1 . . . . 29 TRP CD1 . 10312 1 314 . 1 1 29 29 TRP CE3 C 13 121.355 0.300 . 1 . . . . 29 TRP CE3 . 10312 1 315 . 1 1 29 29 TRP CH2 C 13 123.974 0.300 . 1 . . . . 29 TRP CH2 . 10312 1 316 . 1 1 29 29 TRP CZ2 C 13 111.560 0.300 . 1 . . . . 29 TRP CZ2 . 10312 1 317 . 1 1 29 29 TRP CZ3 C 13 119.019 0.300 . 1 . . . . 29 TRP CZ3 . 10312 1 318 . 1 1 29 29 TRP N N 15 132.259 0.300 . 1 . . . . 29 TRP N . 10312 1 319 . 1 1 29 29 TRP NE1 N 15 128.782 0.300 . 1 . . . . 29 TRP NE1 . 10312 1 320 . 1 1 30 30 ARG H H 1 9.182 0.030 . 1 . . . . 30 ARG H . 10312 1 321 . 1 1 30 30 ARG HA H 1 5.373 0.030 . 1 . . . . 30 ARG HA . 10312 1 322 . 1 1 30 30 ARG HB2 H 1 2.022 0.030 . 1 . . . . 30 ARG HB2 . 10312 1 323 . 1 1 30 30 ARG HB3 H 1 2.022 0.030 . 1 . . . . 30 ARG HB3 . 10312 1 324 . 1 1 30 30 ARG HD2 H 1 3.242 0.030 . 2 . . . . 30 ARG HD2 . 10312 1 325 . 1 1 30 30 ARG HD3 H 1 3.167 0.030 . 2 . . . . 30 ARG HD3 . 10312 1 326 . 1 1 30 30 ARG HE H 1 7.526 0.030 . 1 . . . . 30 ARG HE . 10312 1 327 . 1 1 30 30 ARG HG2 H 1 1.858 0.030 . 2 . . . . 30 ARG HG2 . 10312 1 328 . 1 1 30 30 ARG HG3 H 1 1.662 0.030 . 2 . . . . 30 ARG HG3 . 10312 1 329 . 1 1 30 30 ARG C C 13 174.643 0.300 . 1 . . . . 30 ARG C . 10312 1 330 . 1 1 30 30 ARG CA C 13 56.217 0.300 . 1 . . . . 30 ARG CA . 10312 1 331 . 1 1 30 30 ARG CB C 13 34.479 0.300 . 1 . . . . 30 ARG CB . 10312 1 332 . 1 1 30 30 ARG CD C 13 43.938 0.300 . 1 . . . . 30 ARG CD . 10312 1 333 . 1 1 30 30 ARG CG C 13 29.051 0.300 . 1 . . . . 30 ARG CG . 10312 1 334 . 1 1 30 30 ARG N N 15 117.380 0.300 . 1 . . . . 30 ARG N . 10312 1 335 . 1 1 30 30 ARG NE N 15 85.017 0.300 . 1 . . . . 30 ARG NE . 10312 1 336 . 1 1 31 31 LEU H H 1 9.532 0.030 . 1 . . . . 31 LEU H . 10312 1 337 . 1 1 31 31 LEU HA H 1 5.314 0.030 . 1 . . . . 31 LEU HA . 10312 1 338 . 1 1 31 31 LEU HB2 H 1 2.051 0.030 . 2 . . . . 31 LEU HB2 . 10312 1 339 . 1 1 31 31 LEU HB3 H 1 1.735 0.030 . 2 . . . . 31 LEU HB3 . 10312 1 340 . 1 1 31 31 LEU HD11 H 1 1.043 0.030 . 1 . . . . 31 LEU HD1 . 10312 1 341 . 1 1 31 31 LEU HD12 H 1 1.043 0.030 . 1 . . . . 31 LEU HD1 . 10312 1 342 . 1 1 31 31 LEU HD13 H 1 1.043 0.030 . 1 . . . . 31 LEU HD1 . 10312 1 343 . 1 1 31 31 LEU HD21 H 1 0.778 0.030 . 1 . . . . 31 LEU HD2 . 10312 1 344 . 1 1 31 31 LEU HD22 H 1 0.778 0.030 . 1 . . . . 31 LEU HD2 . 10312 1 345 . 1 1 31 31 LEU HD23 H 1 0.778 0.030 . 1 . . . . 31 LEU HD2 . 10312 1 346 . 1 1 31 31 LEU HG H 1 1.652 0.030 . 1 . . . . 31 LEU HG . 10312 1 347 . 1 1 31 31 LEU C C 13 174.533 0.300 . 1 . . . . 31 LEU C . 10312 1 348 . 1 1 31 31 LEU CA C 13 53.721 0.300 . 1 . . . . 31 LEU CA . 10312 1 349 . 1 1 31 31 LEU CB C 13 46.683 0.300 . 1 . . . . 31 LEU CB . 10312 1 350 . 1 1 31 31 LEU CD1 C 13 24.243 0.300 . 2 . . . . 31 LEU CD1 . 10312 1 351 . 1 1 31 31 LEU CD2 C 13 27.324 0.300 . 2 . . . . 31 LEU CD2 . 10312 1 352 . 1 1 31 31 LEU CG C 13 27.528 0.300 . 1 . . . . 31 LEU CG . 10312 1 353 . 1 1 31 31 LEU N N 15 129.001 0.300 . 1 . . . . 31 LEU N . 10312 1 354 . 1 1 32 32 ASP H H 1 8.547 0.030 . 1 . . . . 32 ASP H . 10312 1 355 . 1 1 32 32 ASP HA H 1 5.015 0.030 . 1 . . . . 32 ASP HA . 10312 1 356 . 1 1 32 32 ASP HB2 H 1 3.243 0.030 . 2 . . . . 32 ASP HB2 . 10312 1 357 . 1 1 32 32 ASP HB3 H 1 2.723 0.030 . 2 . . . . 32 ASP HB3 . 10312 1 358 . 1 1 32 32 ASP C C 13 174.010 0.300 . 1 . . . . 32 ASP C . 10312 1 359 . 1 1 32 32 ASP CA C 13 53.024 0.300 . 1 . . . . 32 ASP CA . 10312 1 360 . 1 1 32 32 ASP CB C 13 42.540 0.300 . 1 . . . . 32 ASP CB . 10312 1 361 . 1 1 32 32 ASP N N 15 129.026 0.300 . 1 . . . . 32 ASP N . 10312 1 362 . 1 1 33 33 SER H H 1 7.840 0.030 . 1 . . . . 33 SER H . 10312 1 363 . 1 1 33 33 SER HA H 1 4.231 0.030 . 1 . . . . 33 SER HA . 10312 1 364 . 1 1 33 33 SER HB2 H 1 4.002 0.030 . 2 . . . . 33 SER HB2 . 10312 1 365 . 1 1 33 33 SER HB3 H 1 3.932 0.030 . 2 . . . . 33 SER HB3 . 10312 1 366 . 1 1 33 33 SER C C 13 174.567 0.300 . 1 . . . . 33 SER C . 10312 1 367 . 1 1 33 33 SER CA C 13 60.453 0.300 . 1 . . . . 33 SER CA . 10312 1 368 . 1 1 33 33 SER CB C 13 63.653 0.300 . 1 . . . . 33 SER CB . 10312 1 369 . 1 1 33 33 SER N N 15 107.919 0.300 . 1 . . . . 33 SER N . 10312 1 370 . 1 1 34 34 LYS H H 1 9.024 0.030 . 1 . . . . 34 LYS H . 10312 1 371 . 1 1 34 34 LYS HA H 1 4.594 0.030 . 1 . . . . 34 LYS HA . 10312 1 372 . 1 1 34 34 LYS HB2 H 1 1.860 0.030 . 1 . . . . 34 LYS HB2 . 10312 1 373 . 1 1 34 34 LYS HB3 H 1 1.860 0.030 . 1 . . . . 34 LYS HB3 . 10312 1 374 . 1 1 34 34 LYS HD2 H 1 1.649 0.030 . 1 . . . . 34 LYS HD2 . 10312 1 375 . 1 1 34 34 LYS HD3 H 1 1.649 0.030 . 1 . . . . 34 LYS HD3 . 10312 1 376 . 1 1 34 34 LYS HE2 H 1 2.947 0.030 . 1 . . . . 34 LYS HE2 . 10312 1 377 . 1 1 34 34 LYS HE3 H 1 2.947 0.030 . 1 . . . . 34 LYS HE3 . 10312 1 378 . 1 1 34 34 LYS HG2 H 1 1.442 0.030 . 2 . . . . 34 LYS HG2 . 10312 1 379 . 1 1 34 34 LYS HG3 H 1 1.382 0.030 . 2 . . . . 34 LYS HG3 . 10312 1 380 . 1 1 34 34 LYS C C 13 177.281 0.300 . 1 . . . . 34 LYS C . 10312 1 381 . 1 1 34 34 LYS CA C 13 57.100 0.300 . 1 . . . . 34 LYS CA . 10312 1 382 . 1 1 34 34 LYS CB C 13 35.796 0.300 . 1 . . . . 34 LYS CB . 10312 1 383 . 1 1 34 34 LYS CD C 13 28.992 0.300 . 1 . . . . 34 LYS CD . 10312 1 384 . 1 1 34 34 LYS CE C 13 42.129 0.300 . 1 . . . . 34 LYS CE . 10312 1 385 . 1 1 34 34 LYS CG C 13 24.728 0.300 . 1 . . . . 34 LYS CG . 10312 1 386 . 1 1 34 34 LYS N N 15 119.349 0.300 . 1 . . . . 34 LYS N . 10312 1 387 . 1 1 35 35 CYS H H 1 9.186 0.030 . 1 . . . . 35 CYS H . 10312 1 388 . 1 1 35 35 CYS HA H 1 4.777 0.030 . 1 . . . . 35 CYS HA . 10312 1 389 . 1 1 35 35 CYS HB2 H 1 2.812 0.030 . 2 . . . . 35 CYS HB2 . 10312 1 390 . 1 1 35 35 CYS HB3 H 1 2.492 0.030 . 2 . . . . 35 CYS HB3 . 10312 1 391 . 1 1 35 35 CYS C C 13 171.415 0.300 . 1 . . . . 35 CYS C . 10312 1 392 . 1 1 35 35 CYS CA C 13 57.912 0.300 . 1 . . . . 35 CYS CA . 10312 1 393 . 1 1 35 35 CYS CB C 13 31.478 0.300 . 1 . . . . 35 CYS CB . 10312 1 394 . 1 1 35 35 CYS N N 15 120.881 0.300 . 1 . . . . 35 CYS N . 10312 1 395 . 1 1 36 36 LEU H H 1 8.221 0.030 . 1 . . . . 36 LEU H . 10312 1 396 . 1 1 36 36 LEU HA H 1 4.954 0.030 . 1 . . . . 36 LEU HA . 10312 1 397 . 1 1 36 36 LEU HB2 H 1 1.363 0.030 . 2 . . . . 36 LEU HB2 . 10312 1 398 . 1 1 36 36 LEU HB3 H 1 1.094 0.030 . 2 . . . . 36 LEU HB3 . 10312 1 399 . 1 1 36 36 LEU HD11 H 1 0.686 0.030 . 1 . . . . 36 LEU HD1 . 10312 1 400 . 1 1 36 36 LEU HD12 H 1 0.686 0.030 . 1 . . . . 36 LEU HD1 . 10312 1 401 . 1 1 36 36 LEU HD13 H 1 0.686 0.030 . 1 . . . . 36 LEU HD1 . 10312 1 402 . 1 1 36 36 LEU HD21 H 1 0.409 0.030 . 1 . . . . 36 LEU HD2 . 10312 1 403 . 1 1 36 36 LEU HD22 H 1 0.409 0.030 . 1 . . . . 36 LEU HD2 . 10312 1 404 . 1 1 36 36 LEU HD23 H 1 0.409 0.030 . 1 . . . . 36 LEU HD2 . 10312 1 405 . 1 1 36 36 LEU HG H 1 0.876 0.030 . 1 . . . . 36 LEU HG . 10312 1 406 . 1 1 36 36 LEU C C 13 174.455 0.300 . 1 . . . . 36 LEU C . 10312 1 407 . 1 1 36 36 LEU CA C 13 53.534 0.300 . 1 . . . . 36 LEU CA . 10312 1 408 . 1 1 36 36 LEU CB C 13 44.151 0.300 . 1 . . . . 36 LEU CB . 10312 1 409 . 1 1 36 36 LEU CD1 C 13 23.802 0.300 . 2 . . . . 36 LEU CD1 . 10312 1 410 . 1 1 36 36 LEU CD2 C 13 25.383 0.300 . 2 . . . . 36 LEU CD2 . 10312 1 411 . 1 1 36 36 LEU CG C 13 26.735 0.300 . 1 . . . . 36 LEU CG . 10312 1 412 . 1 1 36 36 LEU N N 15 125.851 0.300 . 1 . . . . 36 LEU N . 10312 1 413 . 1 1 37 37 THR H H 1 9.104 0.030 . 1 . . . . 37 THR H . 10312 1 414 . 1 1 37 37 THR HA H 1 4.349 0.030 . 1 . . . . 37 THR HA . 10312 1 415 . 1 1 37 37 THR HB H 1 3.654 0.030 . 1 . . . . 37 THR HB . 10312 1 416 . 1 1 37 37 THR HG21 H 1 0.158 0.030 . 1 . . . . 37 THR HG2 . 10312 1 417 . 1 1 37 37 THR HG22 H 1 0.158 0.030 . 1 . . . . 37 THR HG2 . 10312 1 418 . 1 1 37 37 THR HG23 H 1 0.158 0.030 . 1 . . . . 37 THR HG2 . 10312 1 419 . 1 1 37 37 THR C C 13 171.351 0.300 . 1 . . . . 37 THR C . 10312 1 420 . 1 1 37 37 THR CA C 13 62.112 0.300 . 1 . . . . 37 THR CA . 10312 1 421 . 1 1 37 37 THR CB C 13 69.370 0.300 . 1 . . . . 37 THR CB . 10312 1 422 . 1 1 37 37 THR CG2 C 13 22.807 0.300 . 1 . . . . 37 THR CG2 . 10312 1 423 . 1 1 37 37 THR N N 15 121.626 0.300 . 1 . . . . 37 THR N . 10312 1 424 . 1 1 38 38 LEU H H 1 8.389 0.030 . 1 . . . . 38 LEU H . 10312 1 425 . 1 1 38 38 LEU HA H 1 4.321 0.030 . 1 . . . . 38 LEU HA . 10312 1 426 . 1 1 38 38 LEU HB2 H 1 1.135 0.030 . 2 . . . . 38 LEU HB2 . 10312 1 427 . 1 1 38 38 LEU HB3 H 1 1.056 0.030 . 2 . . . . 38 LEU HB3 . 10312 1 428 . 1 1 38 38 LEU HD11 H 1 -0.645 0.030 . 1 . . . . 38 LEU HD1 . 10312 1 429 . 1 1 38 38 LEU HD12 H 1 -0.645 0.030 . 1 . . . . 38 LEU HD1 . 10312 1 430 . 1 1 38 38 LEU HD13 H 1 -0.645 0.030 . 1 . . . . 38 LEU HD1 . 10312 1 431 . 1 1 38 38 LEU HD21 H 1 -0.029 0.030 . 1 . . . . 38 LEU HD2 . 10312 1 432 . 1 1 38 38 LEU HD22 H 1 -0.029 0.030 . 1 . . . . 38 LEU HD2 . 10312 1 433 . 1 1 38 38 LEU HD23 H 1 -0.029 0.030 . 1 . . . . 38 LEU HD2 . 10312 1 434 . 1 1 38 38 LEU HG H 1 0.207 0.030 . 1 . . . . 38 LEU HG . 10312 1 435 . 1 1 38 38 LEU C C 13 175.403 0.300 . 1 . . . . 38 LEU C . 10312 1 436 . 1 1 38 38 LEU CA C 13 54.841 0.300 . 1 . . . . 38 LEU CA . 10312 1 437 . 1 1 38 38 LEU CB C 13 42.289 0.300 . 1 . . . . 38 LEU CB . 10312 1 438 . 1 1 38 38 LEU CD1 C 13 21.649 0.300 . 2 . . . . 38 LEU CD1 . 10312 1 439 . 1 1 38 38 LEU CD2 C 13 26.090 0.300 . 2 . . . . 38 LEU CD2 . 10312 1 440 . 1 1 38 38 LEU CG C 13 29.410 0.300 . 1 . . . . 38 LEU CG . 10312 1 441 . 1 1 38 38 LEU N N 15 128.080 0.300 . 1 . . . . 38 LEU N . 10312 1 442 . 1 1 39 39 PHE H H 1 9.531 0.030 . 1 . . . . 39 PHE H . 10312 1 443 . 1 1 39 39 PHE HA H 1 4.870 0.030 . 1 . . . . 39 PHE HA . 10312 1 444 . 1 1 39 39 PHE HB2 H 1 3.642 0.030 . 2 . . . . 39 PHE HB2 . 10312 1 445 . 1 1 39 39 PHE HB3 H 1 3.629 0.030 . 2 . . . . 39 PHE HB3 . 10312 1 446 . 1 1 39 39 PHE HD1 H 1 7.351 0.030 . 1 . . . . 39 PHE HD1 . 10312 1 447 . 1 1 39 39 PHE HD2 H 1 7.351 0.030 . 1 . . . . 39 PHE HD2 . 10312 1 448 . 1 1 39 39 PHE HE1 H 1 7.272 0.030 . 1 . . . . 39 PHE HE1 . 10312 1 449 . 1 1 39 39 PHE HE2 H 1 7.272 0.030 . 1 . . . . 39 PHE HE2 . 10312 1 450 . 1 1 39 39 PHE C C 13 176.521 0.300 . 1 . . . . 39 PHE C . 10312 1 451 . 1 1 39 39 PHE CA C 13 58.406 0.300 . 1 . . . . 39 PHE CA . 10312 1 452 . 1 1 39 39 PHE CB C 13 41.451 0.300 . 1 . . . . 39 PHE CB . 10312 1 453 . 1 1 39 39 PHE CD1 C 13 132.319 0.300 . 1 . . . . 39 PHE CD1 . 10312 1 454 . 1 1 39 39 PHE CD2 C 13 132.319 0.300 . 1 . . . . 39 PHE CD2 . 10312 1 455 . 1 1 39 39 PHE CE1 C 13 131.523 0.300 . 1 . . . . 39 PHE CE1 . 10312 1 456 . 1 1 39 39 PHE CE2 C 13 131.523 0.300 . 1 . . . . 39 PHE CE2 . 10312 1 457 . 1 1 39 39 PHE N N 15 122.009 0.300 . 1 . . . . 39 PHE N . 10312 1 458 . 1 1 40 40 GLN H H 1 9.080 0.030 . 1 . . . . 40 GLN H . 10312 1 459 . 1 1 40 40 GLN HA H 1 4.538 0.030 . 1 . . . . 40 GLN HA . 10312 1 460 . 1 1 40 40 GLN HB2 H 1 2.345 0.030 . 2 . . . . 40 GLN HB2 . 10312 1 461 . 1 1 40 40 GLN HB3 H 1 2.127 0.030 . 2 . . . . 40 GLN HB3 . 10312 1 462 . 1 1 40 40 GLN HE21 H 1 6.962 0.030 . 2 . . . . 40 GLN HE21 . 10312 1 463 . 1 1 40 40 GLN HE22 H 1 7.572 0.030 . 2 . . . . 40 GLN HE22 . 10312 1 464 . 1 1 40 40 GLN HG2 H 1 2.489 0.030 . 2 . . . . 40 GLN HG2 . 10312 1 465 . 1 1 40 40 GLN HG3 H 1 2.545 0.030 . 2 . . . . 40 GLN HG3 . 10312 1 466 . 1 1 40 40 GLN C C 13 175.730 0.300 . 1 . . . . 40 GLN C . 10312 1 467 . 1 1 40 40 GLN CA C 13 58.830 0.300 . 1 . . . . 40 GLN CA . 10312 1 468 . 1 1 40 40 GLN CB C 13 29.127 0.300 . 1 . . . . 40 GLN CB . 10312 1 469 . 1 1 40 40 GLN CG C 13 33.857 0.300 . 1 . . . . 40 GLN CG . 10312 1 470 . 1 1 40 40 GLN N N 15 119.753 0.300 . 1 . . . . 40 GLN N . 10312 1 471 . 1 1 40 40 GLN NE2 N 15 110.942 0.300 . 1 . . . . 40 GLN NE2 . 10312 1 472 . 1 1 41 41 ASN H H 1 8.264 0.030 . 1 . . . . 41 ASN H . 10312 1 473 . 1 1 41 41 ASN HA H 1 4.896 0.030 . 1 . . . . 41 ASN HA . 10312 1 474 . 1 1 41 41 ASN HB2 H 1 3.325 0.030 . 2 . . . . 41 ASN HB2 . 10312 1 475 . 1 1 41 41 ASN HB3 H 1 3.241 0.030 . 2 . . . . 41 ASN HB3 . 10312 1 476 . 1 1 41 41 ASN HD21 H 1 7.137 0.030 . 2 . . . . 41 ASN HD21 . 10312 1 477 . 1 1 41 41 ASN HD22 H 1 7.862 0.030 . 2 . . . . 41 ASN HD22 . 10312 1 478 . 1 1 41 41 ASN C C 13 173.408 0.300 . 1 . . . . 41 ASN C . 10312 1 479 . 1 1 41 41 ASN CA C 13 52.106 0.300 . 1 . . . . 41 ASN CA . 10312 1 480 . 1 1 41 41 ASN CB C 13 39.702 0.300 . 1 . . . . 41 ASN CB . 10312 1 481 . 1 1 41 41 ASN N N 15 111.553 0.300 . 1 . . . . 41 ASN N . 10312 1 482 . 1 1 41 41 ASN ND2 N 15 114.916 0.300 . 1 . . . . 41 ASN ND2 . 10312 1 483 . 1 1 42 42 GLU H H 1 9.143 0.030 . 1 . . . . 42 GLU H . 10312 1 484 . 1 1 42 42 GLU HA H 1 2.758 0.030 . 1 . . . . 42 GLU HA . 10312 1 485 . 1 1 42 42 GLU HB2 H 1 1.365 0.030 . 2 . . . . 42 GLU HB2 . 10312 1 486 . 1 1 42 42 GLU HB3 H 1 1.399 0.030 . 2 . . . . 42 GLU HB3 . 10312 1 487 . 1 1 42 42 GLU HG2 H 1 1.762 0.030 . 2 . . . . 42 GLU HG2 . 10312 1 488 . 1 1 42 42 GLU HG3 H 1 1.843 0.030 . 2 . . . . 42 GLU HG3 . 10312 1 489 . 1 1 42 42 GLU C C 13 175.978 0.300 . 1 . . . . 42 GLU C . 10312 1 490 . 1 1 42 42 GLU CA C 13 57.700 0.300 . 1 . . . . 42 GLU CA . 10312 1 491 . 1 1 42 42 GLU CB C 13 28.459 0.300 . 1 . . . . 42 GLU CB . 10312 1 492 . 1 1 42 42 GLU CG C 13 35.691 0.300 . 1 . . . . 42 GLU CG . 10312 1 493 . 1 1 42 42 GLU N N 15 117.716 0.300 . 1 . . . . 42 GLU N . 10312 1 494 . 1 1 43 43 SER H H 1 7.900 0.030 . 1 . . . . 43 SER H . 10312 1 495 . 1 1 43 43 SER HA H 1 4.317 0.030 . 1 . . . . 43 SER HA . 10312 1 496 . 1 1 43 43 SER HB2 H 1 3.802 0.030 . 2 . . . . 43 SER HB2 . 10312 1 497 . 1 1 43 43 SER HB3 H 1 3.740 0.030 . 2 . . . . 43 SER HB3 . 10312 1 498 . 1 1 43 43 SER C C 13 175.429 0.300 . 1 . . . . 43 SER C . 10312 1 499 . 1 1 43 43 SER CA C 13 58.441 0.300 . 1 . . . . 43 SER CA . 10312 1 500 . 1 1 43 43 SER CB C 13 64.335 0.300 . 1 . . . . 43 SER CB . 10312 1 501 . 1 1 43 43 SER N N 15 113.914 0.300 . 1 . . . . 43 SER N . 10312 1 502 . 1 1 44 44 GLY H H 1 7.969 0.030 . 1 . . . . 44 GLY H . 10312 1 503 . 1 1 44 44 GLY HA2 H 1 3.432 0.030 . 2 . . . . 44 GLY HA2 . 10312 1 504 . 1 1 44 44 GLY HA3 H 1 3.772 0.030 . 2 . . . . 44 GLY HA3 . 10312 1 505 . 1 1 44 44 GLY C C 13 174.331 0.300 . 1 . . . . 44 GLY C . 10312 1 506 . 1 1 44 44 GLY CA C 13 45.259 0.300 . 1 . . . . 44 GLY CA . 10312 1 507 . 1 1 44 44 GLY N N 15 109.647 0.300 . 1 . . . . 44 GLY N . 10312 1 508 . 1 1 45 45 SER HA H 1 4.514 0.030 . 1 . . . . 45 SER HA . 10312 1 509 . 1 1 45 45 SER HB2 H 1 4.014 0.030 . 2 . . . . 45 SER HB2 . 10312 1 510 . 1 1 45 45 SER HB3 H 1 3.882 0.030 . 2 . . . . 45 SER HB3 . 10312 1 511 . 1 1 45 45 SER C C 13 173.747 0.300 . 1 . . . . 45 SER C . 10312 1 512 . 1 1 45 45 SER CA C 13 58.743 0.300 . 1 . . . . 45 SER CA . 10312 1 513 . 1 1 45 45 SER CB C 13 64.171 0.300 . 1 . . . . 45 SER CB . 10312 1 514 . 1 1 46 46 LYS H H 1 8.015 0.030 . 1 . . . . 46 LYS H . 10312 1 515 . 1 1 46 46 LYS HA H 1 4.517 0.030 . 1 . . . . 46 LYS HA . 10312 1 516 . 1 1 46 46 LYS HB2 H 1 1.788 0.030 . 1 . . . . 46 LYS HB2 . 10312 1 517 . 1 1 46 46 LYS HB3 H 1 1.788 0.030 . 1 . . . . 46 LYS HB3 . 10312 1 518 . 1 1 46 46 LYS HG2 H 1 1.362 0.030 . 1 . . . . 46 LYS HG2 . 10312 1 519 . 1 1 46 46 LYS HG3 H 1 1.362 0.030 . 1 . . . . 46 LYS HG3 . 10312 1 520 . 1 1 46 46 LYS C C 13 174.150 0.300 . 1 . . . . 46 LYS C . 10312 1 521 . 1 1 46 46 LYS CA C 13 56.193 0.300 . 1 . . . . 46 LYS CA . 10312 1 522 . 1 1 46 46 LYS CB C 13 33.081 0.300 . 1 . . . . 46 LYS CB . 10312 1 523 . 1 1 46 46 LYS CD C 13 29.216 0.300 . 1 . . . . 46 LYS CD . 10312 1 524 . 1 1 46 46 LYS CE C 13 42.293 0.300 . 1 . . . . 46 LYS CE . 10312 1 525 . 1 1 46 46 LYS CG C 13 24.939 0.300 . 1 . . . . 46 LYS CG . 10312 1 526 . 1 1 46 46 LYS N N 15 122.183 0.300 . 1 . . . . 46 LYS N . 10312 1 527 . 1 1 47 47 TYR H H 1 8.397 0.030 . 1 . . . . 47 TYR H . 10312 1 528 . 1 1 47 47 TYR HA H 1 4.646 0.030 . 1 . . . . 47 TYR HA . 10312 1 529 . 1 1 47 47 TYR HB2 H 1 2.182 0.030 . 2 . . . . 47 TYR HB2 . 10312 1 530 . 1 1 47 47 TYR HB3 H 1 2.571 0.030 . 2 . . . . 47 TYR HB3 . 10312 1 531 . 1 1 47 47 TYR HD1 H 1 6.631 0.030 . 1 . . . . 47 TYR HD1 . 10312 1 532 . 1 1 47 47 TYR HD2 H 1 6.631 0.030 . 1 . . . . 47 TYR HD2 . 10312 1 533 . 1 1 47 47 TYR HE1 H 1 6.683 0.030 . 1 . . . . 47 TYR HE1 . 10312 1 534 . 1 1 47 47 TYR HE2 H 1 6.683 0.030 . 1 . . . . 47 TYR HE2 . 10312 1 535 . 1 1 47 47 TYR CA C 13 56.357 0.300 . 1 . . . . 47 TYR CA . 10312 1 536 . 1 1 47 47 TYR CB C 13 39.743 0.300 . 1 . . . . 47 TYR CB . 10312 1 537 . 1 1 47 47 TYR CD1 C 13 133.265 0.300 . 1 . . . . 47 TYR CD1 . 10312 1 538 . 1 1 47 47 TYR CD2 C 13 133.265 0.300 . 1 . . . . 47 TYR CD2 . 10312 1 539 . 1 1 47 47 TYR CE1 C 13 118.379 0.300 . 1 . . . . 47 TYR CE1 . 10312 1 540 . 1 1 47 47 TYR CE2 C 13 118.379 0.300 . 1 . . . . 47 TYR CE2 . 10312 1 541 . 1 1 47 47 TYR N N 15 123.375 0.300 . 1 . . . . 47 TYR N . 10312 1 542 . 1 1 48 48 TYR H H 1 9.065 0.030 . 1 . . . . 48 TYR H . 10312 1 543 . 1 1 48 48 TYR HA H 1 4.659 0.030 . 1 . . . . 48 TYR HA . 10312 1 544 . 1 1 48 48 TYR HB2 H 1 3.052 0.030 . 2 . . . . 48 TYR HB2 . 10312 1 545 . 1 1 48 48 TYR HB3 H 1 2.203 0.030 . 2 . . . . 48 TYR HB3 . 10312 1 546 . 1 1 48 48 TYR HD1 H 1 6.714 0.030 . 1 . . . . 48 TYR HD1 . 10312 1 547 . 1 1 48 48 TYR HD2 H 1 6.714 0.030 . 1 . . . . 48 TYR HD2 . 10312 1 548 . 1 1 48 48 TYR HE1 H 1 6.762 0.030 . 1 . . . . 48 TYR HE1 . 10312 1 549 . 1 1 48 48 TYR HE2 H 1 6.762 0.030 . 1 . . . . 48 TYR HE2 . 10312 1 550 . 1 1 48 48 TYR C C 13 174.784 0.300 . 1 . . . . 48 TYR C . 10312 1 551 . 1 1 48 48 TYR CA C 13 58.210 0.300 . 1 . . . . 48 TYR CA . 10312 1 552 . 1 1 48 48 TYR CB C 13 39.826 0.300 . 1 . . . . 48 TYR CB . 10312 1 553 . 1 1 48 48 TYR CD1 C 13 133.552 0.300 . 1 . . . . 48 TYR CD1 . 10312 1 554 . 1 1 48 48 TYR CD2 C 13 133.552 0.300 . 1 . . . . 48 TYR CD2 . 10312 1 555 . 1 1 48 48 TYR CE1 C 13 117.430 0.300 . 1 . . . . 48 TYR CE1 . 10312 1 556 . 1 1 48 48 TYR CE2 C 13 117.430 0.300 . 1 . . . . 48 TYR CE2 . 10312 1 557 . 1 1 48 48 TYR N N 15 122.419 0.300 . 1 . . . . 48 TYR N . 10312 1 558 . 1 1 49 49 LYS H H 1 7.179 0.030 . 1 . . . . 49 LYS H . 10312 1 559 . 1 1 49 49 LYS HA H 1 4.193 0.030 . 1 . . . . 49 LYS HA . 10312 1 560 . 1 1 49 49 LYS HB2 H 1 1.123 0.030 . 1 . . . . 49 LYS HB2 . 10312 1 561 . 1 1 49 49 LYS HB3 H 1 1.123 0.030 . 1 . . . . 49 LYS HB3 . 10312 1 562 . 1 1 49 49 LYS HD2 H 1 1.364 0.030 . 2 . . . . 49 LYS HD2 . 10312 1 563 . 1 1 49 49 LYS HD3 H 1 1.495 0.030 . 2 . . . . 49 LYS HD3 . 10312 1 564 . 1 1 49 49 LYS HE2 H 1 2.719 0.030 . 2 . . . . 49 LYS HE2 . 10312 1 565 . 1 1 49 49 LYS HE3 H 1 2.799 0.030 . 2 . . . . 49 LYS HE3 . 10312 1 566 . 1 1 49 49 LYS HG2 H 1 0.937 0.030 . 2 . . . . 49 LYS HG2 . 10312 1 567 . 1 1 49 49 LYS HG3 H 1 0.832 0.030 . 2 . . . . 49 LYS HG3 . 10312 1 568 . 1 1 49 49 LYS C C 13 172.529 0.300 . 1 . . . . 49 LYS C . 10312 1 569 . 1 1 49 49 LYS CA C 13 55.247 0.300 . 1 . . . . 49 LYS CA . 10312 1 570 . 1 1 49 49 LYS CB C 13 37.029 0.300 . 1 . . . . 49 LYS CB . 10312 1 571 . 1 1 49 49 LYS CD C 13 28.558 0.300 . 1 . . . . 49 LYS CD . 10312 1 572 . 1 1 49 49 LYS CE C 13 41.718 0.300 . 1 . . . . 49 LYS CE . 10312 1 573 . 1 1 49 49 LYS CG C 13 24.315 0.300 . 1 . . . . 49 LYS CG . 10312 1 574 . 1 1 49 49 LYS N N 15 116.078 0.300 . 1 . . . . 49 LYS N . 10312 1 575 . 1 1 50 50 GLU H H 1 8.408 0.030 . 1 . . . . 50 GLU H . 10312 1 576 . 1 1 50 50 GLU HA H 1 4.424 0.030 . 1 . . . . 50 GLU HA . 10312 1 577 . 1 1 50 50 GLU HB2 H 1 1.558 0.030 . 2 . . . . 50 GLU HB2 . 10312 1 578 . 1 1 50 50 GLU HB3 H 1 1.345 0.030 . 2 . . . . 50 GLU HB3 . 10312 1 579 . 1 1 50 50 GLU HG2 H 1 1.624 0.030 . 2 . . . . 50 GLU HG2 . 10312 1 580 . 1 1 50 50 GLU HG3 H 1 1.568 0.030 . 2 . . . . 50 GLU HG3 . 10312 1 581 . 1 1 50 50 GLU C C 13 174.485 0.300 . 1 . . . . 50 GLU C . 10312 1 582 . 1 1 50 50 GLU CA C 13 55.009 0.300 . 1 . . . . 50 GLU CA . 10312 1 583 . 1 1 50 50 GLU CB C 13 32.800 0.300 . 1 . . . . 50 GLU CB . 10312 1 584 . 1 1 50 50 GLU CG C 13 36.876 0.300 . 1 . . . . 50 GLU CG . 10312 1 585 . 1 1 50 50 GLU N N 15 124.035 0.300 . 1 . . . . 50 GLU N . 10312 1 586 . 1 1 51 51 ILE H H 1 9.151 0.030 . 1 . . . . 51 ILE H . 10312 1 587 . 1 1 51 51 ILE HA H 1 4.219 0.030 . 1 . . . . 51 ILE HA . 10312 1 588 . 1 1 51 51 ILE HB H 1 1.529 0.030 . 1 . . . . 51 ILE HB . 10312 1 589 . 1 1 51 51 ILE HD11 H 1 -0.364 0.030 . 1 . . . . 51 ILE HD1 . 10312 1 590 . 1 1 51 51 ILE HD12 H 1 -0.364 0.030 . 1 . . . . 51 ILE HD1 . 10312 1 591 . 1 1 51 51 ILE HD13 H 1 -0.364 0.030 . 1 . . . . 51 ILE HD1 . 10312 1 592 . 1 1 51 51 ILE HG12 H 1 0.803 0.030 . 2 . . . . 51 ILE HG12 . 10312 1 593 . 1 1 51 51 ILE HG13 H 1 0.429 0.030 . 2 . . . . 51 ILE HG13 . 10312 1 594 . 1 1 51 51 ILE HG21 H 1 0.441 0.030 . 1 . . . . 51 ILE HG2 . 10312 1 595 . 1 1 51 51 ILE HG22 H 1 0.441 0.030 . 1 . . . . 51 ILE HG2 . 10312 1 596 . 1 1 51 51 ILE HG23 H 1 0.441 0.030 . 1 . . . . 51 ILE HG2 . 10312 1 597 . 1 1 51 51 ILE C C 13 172.672 0.300 . 1 . . . . 51 ILE C . 10312 1 598 . 1 1 51 51 ILE CA C 13 58.304 0.300 . 1 . . . . 51 ILE CA . 10312 1 599 . 1 1 51 51 ILE CB C 13 39.705 0.300 . 1 . . . . 51 ILE CB . 10312 1 600 . 1 1 51 51 ILE CD1 C 13 12.797 0.300 . 1 . . . . 51 ILE CD1 . 10312 1 601 . 1 1 51 51 ILE CG1 C 13 26.493 0.300 . 1 . . . . 51 ILE CG1 . 10312 1 602 . 1 1 51 51 ILE CG2 C 13 16.340 0.300 . 1 . . . . 51 ILE CG2 . 10312 1 603 . 1 1 51 51 ILE N N 15 126.557 0.300 . 1 . . . . 51 ILE N . 10312 1 604 . 1 1 52 52 PRO HA H 1 4.497 0.030 . 1 . . . . 52 PRO HA . 10312 1 605 . 1 1 52 52 PRO HB2 H 1 2.372 0.030 . 2 . . . . 52 PRO HB2 . 10312 1 606 . 1 1 52 52 PRO HB3 H 1 1.820 0.030 . 2 . . . . 52 PRO HB3 . 10312 1 607 . 1 1 52 52 PRO HD2 H 1 3.590 0.030 . 2 . . . . 52 PRO HD2 . 10312 1 608 . 1 1 52 52 PRO HD3 H 1 3.540 0.030 . 2 . . . . 52 PRO HD3 . 10312 1 609 . 1 1 52 52 PRO HG2 H 1 2.032 0.030 . 2 . . . . 52 PRO HG2 . 10312 1 610 . 1 1 52 52 PRO HG3 H 1 1.834 0.030 . 2 . . . . 52 PRO HG3 . 10312 1 611 . 1 1 52 52 PRO C C 13 178.317 0.300 . 1 . . . . 52 PRO C . 10312 1 612 . 1 1 52 52 PRO CA C 13 62.818 0.300 . 1 . . . . 52 PRO CA . 10312 1 613 . 1 1 52 52 PRO CB C 13 31.873 0.300 . 1 . . . . 52 PRO CB . 10312 1 614 . 1 1 52 52 PRO CD C 13 51.094 0.300 . 1 . . . . 52 PRO CD . 10312 1 615 . 1 1 52 52 PRO CG C 13 28.102 0.300 . 1 . . . . 52 PRO CG . 10312 1 616 . 1 1 53 53 LEU H H 1 8.519 0.030 . 1 . . . . 53 LEU H . 10312 1 617 . 1 1 53 53 LEU HA H 1 3.817 0.030 . 1 . . . . 53 LEU HA . 10312 1 618 . 1 1 53 53 LEU HB2 H 1 1.614 0.030 . 2 . . . . 53 LEU HB2 . 10312 1 619 . 1 1 53 53 LEU HB3 H 1 1.422 0.030 . 2 . . . . 53 LEU HB3 . 10312 1 620 . 1 1 53 53 LEU HD11 H 1 0.768 0.030 . 1 . . . . 53 LEU HD1 . 10312 1 621 . 1 1 53 53 LEU HD12 H 1 0.768 0.030 . 1 . . . . 53 LEU HD1 . 10312 1 622 . 1 1 53 53 LEU HD13 H 1 0.768 0.030 . 1 . . . . 53 LEU HD1 . 10312 1 623 . 1 1 53 53 LEU HD21 H 1 0.682 0.030 . 1 . . . . 53 LEU HD2 . 10312 1 624 . 1 1 53 53 LEU HD22 H 1 0.682 0.030 . 1 . . . . 53 LEU HD2 . 10312 1 625 . 1 1 53 53 LEU HD23 H 1 0.682 0.030 . 1 . . . . 53 LEU HD2 . 10312 1 626 . 1 1 53 53 LEU HG H 1 1.289 0.030 . 1 . . . . 53 LEU HG . 10312 1 627 . 1 1 53 53 LEU C C 13 179.381 0.300 . 1 . . . . 53 LEU C . 10312 1 628 . 1 1 53 53 LEU CA C 13 58.141 0.300 . 1 . . . . 53 LEU CA . 10312 1 629 . 1 1 53 53 LEU CB C 13 40.151 0.300 . 1 . . . . 53 LEU CB . 10312 1 630 . 1 1 53 53 LEU CD1 C 13 25.691 0.300 . 2 . . . . 53 LEU CD1 . 10312 1 631 . 1 1 53 53 LEU CD2 C 13 21.814 0.300 . 2 . . . . 53 LEU CD2 . 10312 1 632 . 1 1 53 53 LEU CG C 13 27.571 0.300 . 1 . . . . 53 LEU CG . 10312 1 633 . 1 1 53 53 LEU N N 15 124.542 0.300 . 1 . . . . 53 LEU N . 10312 1 634 . 1 1 54 54 SER H H 1 8.189 0.030 . 1 . . . . 54 SER H . 10312 1 635 . 1 1 54 54 SER HA H 1 4.120 0.030 . 1 . . . . 54 SER HA . 10312 1 636 . 1 1 54 54 SER HB2 H 1 3.805 0.030 . 2 . . . . 54 SER HB2 . 10312 1 637 . 1 1 54 54 SER HB3 H 1 4.002 0.030 . 2 . . . . 54 SER HB3 . 10312 1 638 . 1 1 54 54 SER C C 13 175.480 0.300 . 1 . . . . 54 SER C . 10312 1 639 . 1 1 54 54 SER CA C 13 60.012 0.300 . 1 . . . . 54 SER CA . 10312 1 640 . 1 1 54 54 SER CB C 13 62.533 0.300 . 1 . . . . 54 SER CB . 10312 1 641 . 1 1 54 54 SER N N 15 111.051 0.300 . 1 . . . . 54 SER N . 10312 1 642 . 1 1 55 55 GLU H H 1 7.790 0.030 . 1 . . . . 55 GLU H . 10312 1 643 . 1 1 55 55 GLU HA H 1 4.271 0.030 . 1 . . . . 55 GLU HA . 10312 1 644 . 1 1 55 55 GLU HB2 H 1 2.253 0.030 . 2 . . . . 55 GLU HB2 . 10312 1 645 . 1 1 55 55 GLU HB3 H 1 1.983 0.030 . 2 . . . . 55 GLU HB3 . 10312 1 646 . 1 1 55 55 GLU HG2 H 1 2.279 0.030 . 1 . . . . 55 GLU HG2 . 10312 1 647 . 1 1 55 55 GLU HG3 H 1 2.279 0.030 . 1 . . . . 55 GLU HG3 . 10312 1 648 . 1 1 55 55 GLU C C 13 176.530 0.300 . 1 . . . . 55 GLU C . 10312 1 649 . 1 1 55 55 GLU CA C 13 56.359 0.300 . 1 . . . . 55 GLU CA . 10312 1 650 . 1 1 55 55 GLU CB C 13 30.310 0.300 . 1 . . . . 55 GLU CB . 10312 1 651 . 1 1 55 55 GLU CG C 13 37.194 0.300 . 1 . . . . 55 GLU CG . 10312 1 652 . 1 1 55 55 GLU N N 15 120.174 0.300 . 1 . . . . 55 GLU N . 10312 1 653 . 1 1 56 56 ILE H H 1 7.484 0.030 . 1 . . . . 56 ILE H . 10312 1 654 . 1 1 56 56 ILE HA H 1 3.690 0.030 . 1 . . . . 56 ILE HA . 10312 1 655 . 1 1 56 56 ILE HB H 1 2.065 0.030 . 1 . . . . 56 ILE HB . 10312 1 656 . 1 1 56 56 ILE HD11 H 1 0.717 0.030 . 1 . . . . 56 ILE HD1 . 10312 1 657 . 1 1 56 56 ILE HD12 H 1 0.717 0.030 . 1 . . . . 56 ILE HD1 . 10312 1 658 . 1 1 56 56 ILE HD13 H 1 0.717 0.030 . 1 . . . . 56 ILE HD1 . 10312 1 659 . 1 1 56 56 ILE HG12 H 1 1.752 0.030 . 2 . . . . 56 ILE HG12 . 10312 1 660 . 1 1 56 56 ILE HG13 H 1 0.396 0.030 . 2 . . . . 56 ILE HG13 . 10312 1 661 . 1 1 56 56 ILE HG21 H 1 0.708 0.030 . 1 . . . . 56 ILE HG2 . 10312 1 662 . 1 1 56 56 ILE HG22 H 1 0.708 0.030 . 1 . . . . 56 ILE HG2 . 10312 1 663 . 1 1 56 56 ILE HG23 H 1 0.708 0.030 . 1 . . . . 56 ILE HG2 . 10312 1 664 . 1 1 56 56 ILE C C 13 175.045 0.300 . 1 . . . . 56 ILE C . 10312 1 665 . 1 1 56 56 ILE CA C 13 63.175 0.300 . 1 . . . . 56 ILE CA . 10312 1 666 . 1 1 56 56 ILE CB C 13 37.140 0.300 . 1 . . . . 56 ILE CB . 10312 1 667 . 1 1 56 56 ILE CD1 C 13 13.574 0.300 . 1 . . . . 56 ILE CD1 . 10312 1 668 . 1 1 56 56 ILE CG1 C 13 27.222 0.300 . 1 . . . . 56 ILE CG1 . 10312 1 669 . 1 1 56 56 ILE CG2 C 13 17.618 0.300 . 1 . . . . 56 ILE CG2 . 10312 1 670 . 1 1 56 56 ILE N N 15 119.465 0.300 . 1 . . . . 56 ILE N . 10312 1 671 . 1 1 57 57 LEU H H 1 8.985 0.030 . 1 . . . . 57 LEU H . 10312 1 672 . 1 1 57 57 LEU HA H 1 4.251 0.030 . 1 . . . . 57 LEU HA . 10312 1 673 . 1 1 57 57 LEU HB2 H 1 1.472 0.030 . 2 . . . . 57 LEU HB2 . 10312 1 674 . 1 1 57 57 LEU HB3 H 1 1.502 0.030 . 2 . . . . 57 LEU HB3 . 10312 1 675 . 1 1 57 57 LEU HD11 H 1 0.813 0.030 . 1 . . . . 57 LEU HD1 . 10312 1 676 . 1 1 57 57 LEU HD12 H 1 0.813 0.030 . 1 . . . . 57 LEU HD1 . 10312 1 677 . 1 1 57 57 LEU HD13 H 1 0.813 0.030 . 1 . . . . 57 LEU HD1 . 10312 1 678 . 1 1 57 57 LEU HD21 H 1 0.833 0.030 . 1 . . . . 57 LEU HD2 . 10312 1 679 . 1 1 57 57 LEU HD22 H 1 0.833 0.030 . 1 . . . . 57 LEU HD2 . 10312 1 680 . 1 1 57 57 LEU HD23 H 1 0.833 0.030 . 1 . . . . 57 LEU HD2 . 10312 1 681 . 1 1 57 57 LEU HG H 1 1.643 0.030 . 1 . . . . 57 LEU HG . 10312 1 682 . 1 1 57 57 LEU C C 13 178.098 0.300 . 1 . . . . 57 LEU C . 10312 1 683 . 1 1 57 57 LEU CA C 13 56.482 0.300 . 1 . . . . 57 LEU CA . 10312 1 684 . 1 1 57 57 LEU CB C 13 42.540 0.300 . 1 . . . . 57 LEU CB . 10312 1 685 . 1 1 57 57 LEU CD1 C 13 25.350 0.300 . 2 . . . . 57 LEU CD1 . 10312 1 686 . 1 1 57 57 LEU CD2 C 13 22.414 0.300 . 2 . . . . 57 LEU CD2 . 10312 1 687 . 1 1 57 57 LEU CG C 13 27.489 0.300 . 1 . . . . 57 LEU CG . 10312 1 688 . 1 1 57 57 LEU N N 15 128.672 0.300 . 1 . . . . 57 LEU N . 10312 1 689 . 1 1 58 58 ARG H H 1 7.503 0.030 . 1 . . . . 58 ARG H . 10312 1 690 . 1 1 58 58 ARG HA H 1 4.482 0.030 . 1 . . . . 58 ARG HA . 10312 1 691 . 1 1 58 58 ARG HB2 H 1 1.974 0.030 . 2 . . . . 58 ARG HB2 . 10312 1 692 . 1 1 58 58 ARG HB3 H 1 1.767 0.030 . 2 . . . . 58 ARG HB3 . 10312 1 693 . 1 1 58 58 ARG HD2 H 1 3.134 0.030 . 2 . . . . 58 ARG HD2 . 10312 1 694 . 1 1 58 58 ARG HD3 H 1 3.198 0.030 . 2 . . . . 58 ARG HD3 . 10312 1 695 . 1 1 58 58 ARG HG2 H 1 1.372 0.030 . 1 . . . . 58 ARG HG2 . 10312 1 696 . 1 1 58 58 ARG HG3 H 1 1.372 0.030 . 1 . . . . 58 ARG HG3 . 10312 1 697 . 1 1 58 58 ARG C C 13 172.706 0.300 . 1 . . . . 58 ARG C . 10312 1 698 . 1 1 58 58 ARG CA C 13 55.247 0.300 . 1 . . . . 58 ARG CA . 10312 1 699 . 1 1 58 58 ARG CB C 13 32.718 0.300 . 1 . . . . 58 ARG CB . 10312 1 700 . 1 1 58 58 ARG CD C 13 43.198 0.300 . 1 . . . . 58 ARG CD . 10312 1 701 . 1 1 58 58 ARG CG C 13 26.502 0.300 . 1 . . . . 58 ARG CG . 10312 1 702 . 1 1 58 58 ARG N N 15 112.523 0.300 . 1 . . . . 58 ARG N . 10312 1 703 . 1 1 59 59 ILE H H 1 8.496 0.030 . 1 . . . . 59 ILE H . 10312 1 704 . 1 1 59 59 ILE HA H 1 5.176 0.030 . 1 . . . . 59 ILE HA . 10312 1 705 . 1 1 59 59 ILE HB H 1 1.834 0.030 . 1 . . . . 59 ILE HB . 10312 1 706 . 1 1 59 59 ILE HD11 H 1 0.925 0.030 . 1 . . . . 59 ILE HD1 . 10312 1 707 . 1 1 59 59 ILE HD12 H 1 0.925 0.030 . 1 . . . . 59 ILE HD1 . 10312 1 708 . 1 1 59 59 ILE HD13 H 1 0.925 0.030 . 1 . . . . 59 ILE HD1 . 10312 1 709 . 1 1 59 59 ILE HG12 H 1 1.461 0.030 . 2 . . . . 59 ILE HG12 . 10312 1 710 . 1 1 59 59 ILE HG13 H 1 1.291 0.030 . 2 . . . . 59 ILE HG13 . 10312 1 711 . 1 1 59 59 ILE HG21 H 1 0.981 0.030 . 1 . . . . 59 ILE HG2 . 10312 1 712 . 1 1 59 59 ILE HG22 H 1 0.981 0.030 . 1 . . . . 59 ILE HG2 . 10312 1 713 . 1 1 59 59 ILE HG23 H 1 0.981 0.030 . 1 . . . . 59 ILE HG2 . 10312 1 714 . 1 1 59 59 ILE C C 13 175.614 0.300 . 1 . . . . 59 ILE C . 10312 1 715 . 1 1 59 59 ILE CA C 13 57.934 0.300 . 1 . . . . 59 ILE CA . 10312 1 716 . 1 1 59 59 ILE CB C 13 37.991 0.300 . 1 . . . . 59 ILE CB . 10312 1 717 . 1 1 59 59 ILE CD1 C 13 13.095 0.300 . 1 . . . . 59 ILE CD1 . 10312 1 718 . 1 1 59 59 ILE CG1 C 13 27.358 0.300 . 1 . . . . 59 ILE CG1 . 10312 1 719 . 1 1 59 59 ILE CG2 C 13 17.718 0.300 . 1 . . . . 59 ILE CG2 . 10312 1 720 . 1 1 59 59 ILE N N 15 121.392 0.300 . 1 . . . . 59 ILE N . 10312 1 721 . 1 1 60 60 SER H H 1 9.015 0.030 . 1 . . . . 60 SER H . 10312 1 722 . 1 1 60 60 SER HA H 1 5.100 0.030 . 1 . . . . 60 SER HA . 10312 1 723 . 1 1 60 60 SER HB2 H 1 3.722 0.030 . 2 . . . . 60 SER HB2 . 10312 1 724 . 1 1 60 60 SER HB3 H 1 3.542 0.030 . 2 . . . . 60 SER HB3 . 10312 1 725 . 1 1 60 60 SER C C 13 174.121 0.300 . 1 . . . . 60 SER C . 10312 1 726 . 1 1 60 60 SER CA C 13 56.165 0.300 . 1 . . . . 60 SER CA . 10312 1 727 . 1 1 60 60 SER CB C 13 66.396 0.300 . 1 . . . . 60 SER CB . 10312 1 728 . 1 1 60 60 SER N N 15 119.465 0.300 . 1 . . . . 60 SER N . 10312 1 729 . 1 1 61 61 SER H H 1 8.413 0.030 . 1 . . . . 61 SER H . 10312 1 730 . 1 1 61 61 SER HA H 1 4.947 0.030 . 1 . . . . 61 SER HA . 10312 1 731 . 1 1 61 61 SER HB2 H 1 4.047 0.030 . 2 . . . . 61 SER HB2 . 10312 1 732 . 1 1 61 61 SER HB3 H 1 3.928 0.030 . 2 . . . . 61 SER HB3 . 10312 1 733 . 1 1 61 61 SER C C 13 171.824 0.300 . 1 . . . . 61 SER C . 10312 1 734 . 1 1 61 61 SER CA C 13 58.123 0.300 . 1 . . . . 61 SER CA . 10312 1 735 . 1 1 61 61 SER CB C 13 61.848 0.300 . 1 . . . . 61 SER CB . 10312 1 736 . 1 1 61 61 SER N N 15 121.171 0.300 . 1 . . . . 61 SER N . 10312 1 737 . 1 1 62 62 PRO HA H 1 4.241 0.030 . 1 . . . . 62 PRO HA . 10312 1 738 . 1 1 62 62 PRO HB2 H 1 1.602 0.030 . 2 . . . . 62 PRO HB2 . 10312 1 739 . 1 1 62 62 PRO HB3 H 1 1.313 0.030 . 2 . . . . 62 PRO HB3 . 10312 1 740 . 1 1 62 62 PRO HD2 H 1 3.635 0.030 . 2 . . . . 62 PRO HD2 . 10312 1 741 . 1 1 62 62 PRO HD3 H 1 3.946 0.030 . 2 . . . . 62 PRO HD3 . 10312 1 742 . 1 1 62 62 PRO HG2 H 1 1.252 0.030 . 2 . . . . 62 PRO HG2 . 10312 1 743 . 1 1 62 62 PRO HG3 H 1 2.023 0.030 . 2 . . . . 62 PRO HG3 . 10312 1 744 . 1 1 62 62 PRO C C 13 176.459 0.300 . 1 . . . . 62 PRO C . 10312 1 745 . 1 1 62 62 PRO CA C 13 64.104 0.300 . 1 . . . . 62 PRO CA . 10312 1 746 . 1 1 62 62 PRO CB C 13 31.726 0.300 . 1 . . . . 62 PRO CB . 10312 1 747 . 1 1 62 62 PRO CD C 13 50.312 0.300 . 1 . . . . 62 PRO CD . 10312 1 748 . 1 1 62 62 PRO CG C 13 28.998 0.300 . 1 . . . . 62 PRO CG . 10312 1 749 . 1 1 63 63 ARG H H 1 9.162 0.030 . 1 . . . . 63 ARG H . 10312 1 750 . 1 1 63 63 ARG HA H 1 4.383 0.030 . 1 . . . . 63 ARG HA . 10312 1 751 . 1 1 63 63 ARG HB2 H 1 1.871 0.030 . 1 . . . . 63 ARG HB2 . 10312 1 752 . 1 1 63 63 ARG HB3 H 1 1.871 0.030 . 1 . . . . 63 ARG HB3 . 10312 1 753 . 1 1 63 63 ARG HD2 H 1 3.208 0.030 . 1 . . . . 63 ARG HD2 . 10312 1 754 . 1 1 63 63 ARG HD3 H 1 3.208 0.030 . 1 . . . . 63 ARG HD3 . 10312 1 755 . 1 1 63 63 ARG HG2 H 1 1.632 0.030 . 1 . . . . 63 ARG HG2 . 10312 1 756 . 1 1 63 63 ARG HG3 H 1 1.632 0.030 . 1 . . . . 63 ARG HG3 . 10312 1 757 . 1 1 63 63 ARG C C 13 175.092 0.300 . 1 . . . . 63 ARG C . 10312 1 758 . 1 1 63 63 ARG CA C 13 56.359 0.300 . 1 . . . . 63 ARG CA . 10312 1 759 . 1 1 63 63 ARG CB C 13 32.440 0.300 . 1 . . . . 63 ARG CB . 10312 1 760 . 1 1 63 63 ARG CD C 13 43.260 0.300 . 1 . . . . 63 ARG CD . 10312 1 761 . 1 1 63 63 ARG CG C 13 26.419 0.300 . 1 . . . . 63 ARG CG . 10312 1 762 . 1 1 63 63 ARG N N 15 125.059 0.300 . 1 . . . . 63 ARG N . 10312 1 763 . 1 1 64 64 ASP H H 1 8.386 0.030 . 1 . . . . 64 ASP H . 10312 1 764 . 1 1 64 64 ASP HA H 1 4.686 0.030 . 1 . . . . 64 ASP HA . 10312 1 765 . 1 1 64 64 ASP HB2 H 1 2.882 0.030 . 2 . . . . 64 ASP HB2 . 10312 1 766 . 1 1 64 64 ASP HB3 H 1 2.563 0.030 . 2 . . . . 64 ASP HB3 . 10312 1 767 . 1 1 64 64 ASP C C 13 175.641 0.300 . 1 . . . . 64 ASP C . 10312 1 768 . 1 1 64 64 ASP CA C 13 53.606 0.300 . 1 . . . . 64 ASP CA . 10312 1 769 . 1 1 64 64 ASP CB C 13 41.676 0.300 . 1 . . . . 64 ASP CB . 10312 1 770 . 1 1 64 64 ASP N N 15 120.339 0.300 . 1 . . . . 64 ASP N . 10312 1 771 . 1 1 65 65 PHE H H 1 8.723 0.030 . 1 . . . . 65 PHE H . 10312 1 772 . 1 1 65 65 PHE HA H 1 4.831 0.030 . 1 . . . . 65 PHE HA . 10312 1 773 . 1 1 65 65 PHE HB2 H 1 3.414 0.030 . 2 . . . . 65 PHE HB2 . 10312 1 774 . 1 1 65 65 PHE HB3 H 1 2.815 0.030 . 2 . . . . 65 PHE HB3 . 10312 1 775 . 1 1 65 65 PHE HD1 H 1 7.272 0.030 . 1 . . . . 65 PHE HD1 . 10312 1 776 . 1 1 65 65 PHE HD2 H 1 7.272 0.030 . 1 . . . . 65 PHE HD2 . 10312 1 777 . 1 1 65 65 PHE HE1 H 1 7.130 0.030 . 1 . . . . 65 PHE HE1 . 10312 1 778 . 1 1 65 65 PHE HE2 H 1 7.130 0.030 . 1 . . . . 65 PHE HE2 . 10312 1 779 . 1 1 65 65 PHE HZ H 1 7.072 0.030 . 1 . . . . 65 PHE HZ . 10312 1 780 . 1 1 65 65 PHE C C 13 176.975 0.300 . 1 . . . . 65 PHE C . 10312 1 781 . 1 1 65 65 PHE CA C 13 57.418 0.300 . 1 . . . . 65 PHE CA . 10312 1 782 . 1 1 65 65 PHE CB C 13 39.003 0.300 . 1 . . . . 65 PHE CB . 10312 1 783 . 1 1 65 65 PHE CD1 C 13 131.951 0.300 . 1 . . . . 65 PHE CD1 . 10312 1 784 . 1 1 65 65 PHE CD2 C 13 131.951 0.300 . 1 . . . . 65 PHE CD2 . 10312 1 785 . 1 1 65 65 PHE CE1 C 13 131.085 0.300 . 1 . . . . 65 PHE CE1 . 10312 1 786 . 1 1 65 65 PHE CE2 C 13 131.085 0.300 . 1 . . . . 65 PHE CE2 . 10312 1 787 . 1 1 65 65 PHE CZ C 13 129.493 0.300 . 1 . . . . 65 PHE CZ . 10312 1 788 . 1 1 65 65 PHE N N 15 122.403 0.300 . 1 . . . . 65 PHE N . 10312 1 789 . 1 1 66 66 THR H H 1 8.495 0.030 . 1 . . . . 66 THR H . 10312 1 790 . 1 1 66 66 THR HA H 1 4.169 0.030 . 1 . . . . 66 THR HA . 10312 1 791 . 1 1 66 66 THR HB H 1 4.175 0.030 . 1 . . . . 66 THR HB . 10312 1 792 . 1 1 66 66 THR HG21 H 1 1.229 0.030 . 1 . . . . 66 THR HG2 . 10312 1 793 . 1 1 66 66 THR HG22 H 1 1.229 0.030 . 1 . . . . 66 THR HG2 . 10312 1 794 . 1 1 66 66 THR HG23 H 1 1.229 0.030 . 1 . . . . 66 THR HG2 . 10312 1 795 . 1 1 66 66 THR C C 13 175.192 0.300 . 1 . . . . 66 THR C . 10312 1 796 . 1 1 66 66 THR CA C 13 63.808 0.300 . 1 . . . . 66 THR CA . 10312 1 797 . 1 1 66 66 THR CB C 13 69.948 0.300 . 1 . . . . 66 THR CB . 10312 1 798 . 1 1 66 66 THR CG2 C 13 21.814 0.300 . 1 . . . . 66 THR CG2 . 10312 1 799 . 1 1 66 66 THR N N 15 113.660 0.300 . 1 . . . . 66 THR N . 10312 1 800 . 1 1 67 67 ASN H H 1 8.334 0.030 . 1 . . . . 67 ASN H . 10312 1 801 . 1 1 67 67 ASN HA H 1 4.699 0.030 . 1 . . . . 67 ASN HA . 10312 1 802 . 1 1 67 67 ASN HB2 H 1 2.713 0.030 . 2 . . . . 67 ASN HB2 . 10312 1 803 . 1 1 67 67 ASN HB3 H 1 2.526 0.030 . 2 . . . . 67 ASN HB3 . 10312 1 804 . 1 1 67 67 ASN HD21 H 1 7.176 0.030 . 2 . . . . 67 ASN HD21 . 10312 1 805 . 1 1 67 67 ASN HD22 H 1 6.911 0.030 . 2 . . . . 67 ASN HD22 . 10312 1 806 . 1 1 67 67 ASN C C 13 174.226 0.300 . 1 . . . . 67 ASN C . 10312 1 807 . 1 1 67 67 ASN CA C 13 53.448 0.300 . 1 . . . . 67 ASN CA . 10312 1 808 . 1 1 67 67 ASN CB C 13 39.044 0.300 . 1 . . . . 67 ASN CB . 10312 1 809 . 1 1 67 67 ASN N N 15 118.012 0.300 . 1 . . . . 67 ASN N . 10312 1 810 . 1 1 67 67 ASN ND2 N 15 113.953 0.300 . 1 . . . . 67 ASN ND2 . 10312 1 811 . 1 1 68 68 ILE H H 1 7.298 0.030 . 1 . . . . 68 ILE H . 10312 1 812 . 1 1 68 68 ILE HA H 1 4.034 0.030 . 1 . . . . 68 ILE HA . 10312 1 813 . 1 1 68 68 ILE HB H 1 1.742 0.030 . 1 . . . . 68 ILE HB . 10312 1 814 . 1 1 68 68 ILE HD11 H 1 0.799 0.030 . 1 . . . . 68 ILE HD1 . 10312 1 815 . 1 1 68 68 ILE HD12 H 1 0.799 0.030 . 1 . . . . 68 ILE HD1 . 10312 1 816 . 1 1 68 68 ILE HD13 H 1 0.799 0.030 . 1 . . . . 68 ILE HD1 . 10312 1 817 . 1 1 68 68 ILE HG12 H 1 1.341 0.030 . 2 . . . . 68 ILE HG12 . 10312 1 818 . 1 1 68 68 ILE HG13 H 1 1.178 0.030 . 2 . . . . 68 ILE HG13 . 10312 1 819 . 1 1 68 68 ILE HG21 H 1 0.739 0.030 . 1 . . . . 68 ILE HG2 . 10312 1 820 . 1 1 68 68 ILE HG22 H 1 0.739 0.030 . 1 . . . . 68 ILE HG2 . 10312 1 821 . 1 1 68 68 ILE HG23 H 1 0.739 0.030 . 1 . . . . 68 ILE HG2 . 10312 1 822 . 1 1 68 68 ILE C C 13 175.551 0.300 . 1 . . . . 68 ILE C . 10312 1 823 . 1 1 68 68 ILE CA C 13 60.766 0.300 . 1 . . . . 68 ILE CA . 10312 1 824 . 1 1 68 68 ILE CB C 13 39.250 0.300 . 1 . . . . 68 ILE CB . 10312 1 825 . 1 1 68 68 ILE CD1 C 13 13.665 0.300 . 1 . . . . 68 ILE CD1 . 10312 1 826 . 1 1 68 68 ILE CG1 C 13 27.653 0.300 . 1 . . . . 68 ILE CG1 . 10312 1 827 . 1 1 68 68 ILE CG2 C 13 17.044 0.300 . 1 . . . . 68 ILE CG2 . 10312 1 828 . 1 1 68 68 ILE N N 15 118.112 0.300 . 1 . . . . 68 ILE N . 10312 1 829 . 1 1 69 69 SER H H 1 8.138 0.030 . 1 . . . . 69 SER H . 10312 1 830 . 1 1 69 69 SER HA H 1 4.249 0.030 . 1 . . . . 69 SER HA . 10312 1 831 . 1 1 69 69 SER HB2 H 1 3.758 0.030 . 1 . . . . 69 SER HB2 . 10312 1 832 . 1 1 69 69 SER HB3 H 1 3.758 0.030 . 1 . . . . 69 SER HB3 . 10312 1 833 . 1 1 69 69 SER C C 13 175.146 0.300 . 1 . . . . 69 SER C . 10312 1 834 . 1 1 69 69 SER CA C 13 58.494 0.300 . 1 . . . . 69 SER CA . 10312 1 835 . 1 1 69 69 SER CB C 13 63.587 0.300 . 1 . . . . 69 SER CB . 10312 1 836 . 1 1 69 69 SER N N 15 119.974 0.300 . 1 . . . . 69 SER N . 10312 1 837 . 1 1 70 70 GLN H H 1 8.609 0.030 . 1 . . . . 70 GLN H . 10312 1 838 . 1 1 70 70 GLN HA H 1 4.102 0.030 . 1 . . . . 70 GLN HA . 10312 1 839 . 1 1 70 70 GLN HB2 H 1 2.025 0.030 . 1 . . . . 70 GLN HB2 . 10312 1 840 . 1 1 70 70 GLN HB3 H 1 2.025 0.030 . 1 . . . . 70 GLN HB3 . 10312 1 841 . 1 1 70 70 GLN HE21 H 1 6.827 0.030 . 2 . . . . 70 GLN HE21 . 10312 1 842 . 1 1 70 70 GLN HE22 H 1 7.505 0.030 . 2 . . . . 70 GLN HE22 . 10312 1 843 . 1 1 70 70 GLN HG2 H 1 2.364 0.030 . 1 . . . . 70 GLN HG2 . 10312 1 844 . 1 1 70 70 GLN HG3 H 1 2.364 0.030 . 1 . . . . 70 GLN HG3 . 10312 1 845 . 1 1 70 70 GLN C C 13 176.975 0.300 . 1 . . . . 70 GLN C . 10312 1 846 . 1 1 70 70 GLN CA C 13 57.418 0.300 . 1 . . . . 70 GLN CA . 10312 1 847 . 1 1 70 70 GLN CB C 13 28.434 0.300 . 1 . . . . 70 GLN CB . 10312 1 848 . 1 1 70 70 GLN CG C 13 33.563 0.300 . 1 . . . . 70 GLN CG . 10312 1 849 . 1 1 70 70 GLN N N 15 123.824 0.300 . 1 . . . . 70 GLN N . 10312 1 850 . 1 1 70 70 GLN NE2 N 15 112.419 0.300 . 1 . . . . 70 GLN NE2 . 10312 1 851 . 1 1 71 71 GLY H H 1 8.744 0.030 . 1 . . . . 71 GLY H . 10312 1 852 . 1 1 71 71 GLY HA2 H 1 4.093 0.030 . 2 . . . . 71 GLY HA2 . 10312 1 853 . 1 1 71 71 GLY HA3 H 1 3.748 0.030 . 2 . . . . 71 GLY HA3 . 10312 1 854 . 1 1 71 71 GLY C C 13 174.368 0.300 . 1 . . . . 71 GLY C . 10312 1 855 . 1 1 71 71 GLY CA C 13 45.241 0.300 . 1 . . . . 71 GLY CA . 10312 1 856 . 1 1 71 71 GLY N N 15 112.246 0.300 . 1 . . . . 71 GLY N . 10312 1 857 . 1 1 72 72 SER H H 1 7.713 0.030 . 1 . . . . 72 SER H . 10312 1 858 . 1 1 72 72 SER HA H 1 4.411 0.030 . 1 . . . . 72 SER HA . 10312 1 859 . 1 1 72 72 SER HB2 H 1 3.676 0.030 . 2 . . . . 72 SER HB2 . 10312 1 860 . 1 1 72 72 SER HB3 H 1 3.739 0.030 . 2 . . . . 72 SER HB3 . 10312 1 861 . 1 1 72 72 SER CA C 13 58.167 0.300 . 1 . . . . 72 SER CA . 10312 1 862 . 1 1 72 72 SER CB C 13 64.335 0.300 . 1 . . . . 72 SER CB . 10312 1 863 . 1 1 72 72 SER N N 15 115.662 0.300 . 1 . . . . 72 SER N . 10312 1 864 . 1 1 73 73 ASN H H 1 8.978 0.030 . 1 . . . . 73 ASN H . 10312 1 865 . 1 1 73 73 ASN HA H 1 4.978 0.030 . 1 . . . . 73 ASN HA . 10312 1 866 . 1 1 73 73 ASN HB2 H 1 2.782 0.030 . 2 . . . . 73 ASN HB2 . 10312 1 867 . 1 1 73 73 ASN HB3 H 1 2.628 0.030 . 2 . . . . 73 ASN HB3 . 10312 1 868 . 1 1 73 73 ASN HD21 H 1 8.893 0.030 . 2 . . . . 73 ASN HD21 . 10312 1 869 . 1 1 73 73 ASN HD22 H 1 7.162 0.030 . 2 . . . . 73 ASN HD22 . 10312 1 870 . 1 1 73 73 ASN CA C 13 51.340 0.300 . 1 . . . . 73 ASN CA . 10312 1 871 . 1 1 73 73 ASN CB C 13 37.820 0.300 . 1 . . . . 73 ASN CB . 10312 1 872 . 1 1 73 73 ASN N N 15 122.221 0.300 . 1 . . . . 73 ASN N . 10312 1 873 . 1 1 73 73 ASN ND2 N 15 114.693 0.300 . 1 . . . . 73 ASN ND2 . 10312 1 874 . 1 1 74 74 PRO HA H 1 4.712 0.030 . 1 . . . . 74 PRO HA . 10312 1 875 . 1 1 74 74 PRO HB2 H 1 2.169 0.030 . 2 . . . . 74 PRO HB2 . 10312 1 876 . 1 1 74 74 PRO HB3 H 1 2.322 0.030 . 2 . . . . 74 PRO HB3 . 10312 1 877 . 1 1 74 74 PRO HD2 H 1 3.898 0.030 . 2 . . . . 74 PRO HD2 . 10312 1 878 . 1 1 74 74 PRO HD3 H 1 4.019 0.030 . 2 . . . . 74 PRO HD3 . 10312 1 879 . 1 1 74 74 PRO HG2 H 1 2.103 0.030 . 2 . . . . 74 PRO HG2 . 10312 1 880 . 1 1 74 74 PRO HG3 H 1 2.045 0.030 . 2 . . . . 74 PRO HG3 . 10312 1 881 . 1 1 74 74 PRO C C 13 175.557 0.300 . 1 . . . . 74 PRO C . 10312 1 882 . 1 1 74 74 PRO CA C 13 62.994 0.300 . 1 . . . . 74 PRO CA . 10312 1 883 . 1 1 74 74 PRO CB C 13 33.035 0.300 . 1 . . . . 74 PRO CB . 10312 1 884 . 1 1 74 74 PRO CD C 13 50.682 0.300 . 1 . . . . 74 PRO CD . 10312 1 885 . 1 1 74 74 PRO CG C 13 27.324 0.300 . 1 . . . . 74 PRO CG . 10312 1 886 . 1 1 75 75 HIS H H 1 8.045 0.030 . 1 . . . . 75 HIS H . 10312 1 887 . 1 1 75 75 HIS HA H 1 5.043 0.030 . 1 . . . . 75 HIS HA . 10312 1 888 . 1 1 75 75 HIS HB2 H 1 2.963 0.030 . 2 . . . . 75 HIS HB2 . 10312 1 889 . 1 1 75 75 HIS HB3 H 1 3.123 0.030 . 2 . . . . 75 HIS HB3 . 10312 1 890 . 1 1 75 75 HIS HD2 H 1 6.862 0.030 . 1 . . . . 75 HIS HD2 . 10312 1 891 . 1 1 75 75 HIS HE1 H 1 7.596 0.030 . 1 . . . . 75 HIS HE1 . 10312 1 892 . 1 1 75 75 HIS C C 13 173.107 0.300 . 1 . . . . 75 HIS C . 10312 1 893 . 1 1 75 75 HIS CA C 13 55.000 0.300 . 1 . . . . 75 HIS CA . 10312 1 894 . 1 1 75 75 HIS CB C 13 30.861 0.300 . 1 . . . . 75 HIS CB . 10312 1 895 . 1 1 75 75 HIS CD2 C 13 116.624 0.300 . 1 . . . . 75 HIS CD2 . 10312 1 896 . 1 1 75 75 HIS CE1 C 13 141.858 0.300 . 1 . . . . 75 HIS CE1 . 10312 1 897 . 1 1 75 75 HIS N N 15 116.010 0.300 . 1 . . . . 75 HIS N . 10312 1 898 . 1 1 76 76 CYS H H 1 8.317 0.030 . 1 . . . . 76 CYS H . 10312 1 899 . 1 1 76 76 CYS HA H 1 4.567 0.030 . 1 . . . . 76 CYS HA . 10312 1 900 . 1 1 76 76 CYS HB2 H 1 3.329 0.030 . 2 . . . . 76 CYS HB2 . 10312 1 901 . 1 1 76 76 CYS HB3 H 1 2.881 0.030 . 2 . . . . 76 CYS HB3 . 10312 1 902 . 1 1 76 76 CYS C C 13 174.329 0.300 . 1 . . . . 76 CYS C . 10312 1 903 . 1 1 76 76 CYS CA C 13 60.788 0.300 . 1 . . . . 76 CYS CA . 10312 1 904 . 1 1 76 76 CYS CB C 13 31.371 0.300 . 1 . . . . 76 CYS CB . 10312 1 905 . 1 1 76 76 CYS N N 15 112.891 0.300 . 1 . . . . 76 CYS N . 10312 1 906 . 1 1 77 77 PHE H H 1 8.423 0.030 . 1 . . . . 77 PHE H . 10312 1 907 . 1 1 77 77 PHE HA H 1 4.831 0.030 . 1 . . . . 77 PHE HA . 10312 1 908 . 1 1 77 77 PHE HB2 H 1 3.540 0.030 . 2 . . . . 77 PHE HB2 . 10312 1 909 . 1 1 77 77 PHE HB3 H 1 3.067 0.030 . 2 . . . . 77 PHE HB3 . 10312 1 910 . 1 1 77 77 PHE HD1 H 1 7.070 0.030 . 1 . . . . 77 PHE HD1 . 10312 1 911 . 1 1 77 77 PHE HD2 H 1 7.070 0.030 . 1 . . . . 77 PHE HD2 . 10312 1 912 . 1 1 77 77 PHE HE1 H 1 7.032 0.030 . 1 . . . . 77 PHE HE1 . 10312 1 913 . 1 1 77 77 PHE HE2 H 1 7.032 0.030 . 1 . . . . 77 PHE HE2 . 10312 1 914 . 1 1 77 77 PHE HZ H 1 7.246 0.030 . 1 . . . . 77 PHE HZ . 10312 1 915 . 1 1 77 77 PHE C C 13 171.862 0.300 . 1 . . . . 77 PHE C . 10312 1 916 . 1 1 77 77 PHE CA C 13 57.383 0.300 . 1 . . . . 77 PHE CA . 10312 1 917 . 1 1 77 77 PHE CB C 13 38.928 0.300 . 1 . . . . 77 PHE CB . 10312 1 918 . 1 1 77 77 PHE CD1 C 13 133.206 0.300 . 1 . . . . 77 PHE CD1 . 10312 1 919 . 1 1 77 77 PHE CD2 C 13 133.206 0.300 . 1 . . . . 77 PHE CD2 . 10312 1 920 . 1 1 77 77 PHE CE1 C 13 128.936 0.300 . 1 . . . . 77 PHE CE1 . 10312 1 921 . 1 1 77 77 PHE CE2 C 13 128.936 0.300 . 1 . . . . 77 PHE CE2 . 10312 1 922 . 1 1 77 77 PHE CZ C 13 130.804 0.300 . 1 . . . . 77 PHE CZ . 10312 1 923 . 1 1 77 77 PHE N N 15 112.811 0.300 . 1 . . . . 77 PHE N . 10312 1 924 . 1 1 78 78 GLU H H 1 9.606 0.030 . 1 . . . . 78 GLU H . 10312 1 925 . 1 1 78 78 GLU HA H 1 5.433 0.030 . 1 . . . . 78 GLU HA . 10312 1 926 . 1 1 78 78 GLU HB2 H 1 1.726 0.030 . 2 . . . . 78 GLU HB2 . 10312 1 927 . 1 1 78 78 GLU HB3 H 1 1.560 0.030 . 2 . . . . 78 GLU HB3 . 10312 1 928 . 1 1 78 78 GLU HG2 H 1 2.118 0.030 . 2 . . . . 78 GLU HG2 . 10312 1 929 . 1 1 78 78 GLU HG3 H 1 2.044 0.030 . 2 . . . . 78 GLU HG3 . 10312 1 930 . 1 1 78 78 GLU C C 13 175.781 0.300 . 1 . . . . 78 GLU C . 10312 1 931 . 1 1 78 78 GLU CA C 13 54.196 0.300 . 1 . . . . 78 GLU CA . 10312 1 932 . 1 1 78 78 GLU CB C 13 31.949 0.300 . 1 . . . . 78 GLU CB . 10312 1 933 . 1 1 78 78 GLU CG C 13 37.184 0.300 . 1 . . . . 78 GLU CG . 10312 1 934 . 1 1 78 78 GLU N N 15 120.332 0.300 . 1 . . . . 78 GLU N . 10312 1 935 . 1 1 79 79 ILE H H 1 9.003 0.030 . 1 . . . . 79 ILE H . 10312 1 936 . 1 1 79 79 ILE HA H 1 4.475 0.030 . 1 . . . . 79 ILE HA . 10312 1 937 . 1 1 79 79 ILE HB H 1 1.892 0.030 . 1 . . . . 79 ILE HB . 10312 1 938 . 1 1 79 79 ILE HD11 H 1 0.725 0.030 . 1 . . . . 79 ILE HD1 . 10312 1 939 . 1 1 79 79 ILE HD12 H 1 0.725 0.030 . 1 . . . . 79 ILE HD1 . 10312 1 940 . 1 1 79 79 ILE HD13 H 1 0.725 0.030 . 1 . . . . 79 ILE HD1 . 10312 1 941 . 1 1 79 79 ILE HG12 H 1 1.050 0.030 . 2 . . . . 79 ILE HG12 . 10312 1 942 . 1 1 79 79 ILE HG13 H 1 1.842 0.030 . 2 . . . . 79 ILE HG13 . 10312 1 943 . 1 1 79 79 ILE HG21 H 1 0.751 0.030 . 1 . . . . 79 ILE HG2 . 10312 1 944 . 1 1 79 79 ILE HG22 H 1 0.751 0.030 . 1 . . . . 79 ILE HG2 . 10312 1 945 . 1 1 79 79 ILE HG23 H 1 0.751 0.030 . 1 . . . . 79 ILE HG2 . 10312 1 946 . 1 1 79 79 ILE C C 13 174.283 0.300 . 1 . . . . 79 ILE C . 10312 1 947 . 1 1 79 79 ILE CA C 13 61.177 0.300 . 1 . . . . 79 ILE CA . 10312 1 948 . 1 1 79 79 ILE CB C 13 39.990 0.300 . 1 . . . . 79 ILE CB . 10312 1 949 . 1 1 79 79 ILE CD1 C 13 13.671 0.300 . 1 . . . . 79 ILE CD1 . 10312 1 950 . 1 1 79 79 ILE CG1 C 13 26.953 0.300 . 1 . . . . 79 ILE CG1 . 10312 1 951 . 1 1 79 79 ILE CG2 C 13 18.234 0.300 . 1 . . . . 79 ILE CG2 . 10312 1 952 . 1 1 79 79 ILE N N 15 121.057 0.300 . 1 . . . . 79 ILE N . 10312 1 953 . 1 1 80 80 ILE H H 1 8.702 0.030 . 1 . . . . 80 ILE H . 10312 1 954 . 1 1 80 80 ILE HA H 1 4.445 0.030 . 1 . . . . 80 ILE HA . 10312 1 955 . 1 1 80 80 ILE HB H 1 1.978 0.030 . 1 . . . . 80 ILE HB . 10312 1 956 . 1 1 80 80 ILE HD11 H 1 0.822 0.030 . 1 . . . . 80 ILE HD1 . 10312 1 957 . 1 1 80 80 ILE HD12 H 1 0.822 0.030 . 1 . . . . 80 ILE HD1 . 10312 1 958 . 1 1 80 80 ILE HD13 H 1 0.822 0.030 . 1 . . . . 80 ILE HD1 . 10312 1 959 . 1 1 80 80 ILE HG12 H 1 1.390 0.030 . 2 . . . . 80 ILE HG12 . 10312 1 960 . 1 1 80 80 ILE HG13 H 1 1.283 0.030 . 2 . . . . 80 ILE HG13 . 10312 1 961 . 1 1 80 80 ILE HG21 H 1 0.917 0.030 . 1 . . . . 80 ILE HG2 . 10312 1 962 . 1 1 80 80 ILE HG22 H 1 0.917 0.030 . 1 . . . . 80 ILE HG2 . 10312 1 963 . 1 1 80 80 ILE HG23 H 1 0.917 0.030 . 1 . . . . 80 ILE HG2 . 10312 1 964 . 1 1 80 80 ILE C C 13 175.535 0.300 . 1 . . . . 80 ILE C . 10312 1 965 . 1 1 80 80 ILE CA C 13 62.112 0.300 . 1 . . . . 80 ILE CA . 10312 1 966 . 1 1 80 80 ILE CB C 13 38.186 0.300 . 1 . . . . 80 ILE CB . 10312 1 967 . 1 1 80 80 ILE CD1 C 13 13.901 0.300 . 1 . . . . 80 ILE CD1 . 10312 1 968 . 1 1 80 80 ILE CG1 C 13 29.351 0.300 . 1 . . . . 80 ILE CG1 . 10312 1 969 . 1 1 80 80 ILE CG2 C 13 18.546 0.300 . 1 . . . . 80 ILE CG2 . 10312 1 970 . 1 1 80 80 ILE N N 15 128.523 0.300 . 1 . . . . 80 ILE N . 10312 1 971 . 1 1 81 81 THR H H 1 8.128 0.030 . 1 . . . . 81 THR H . 10312 1 972 . 1 1 81 81 THR HA H 1 5.184 0.030 . 1 . . . . 81 THR HA . 10312 1 973 . 1 1 81 81 THR HB H 1 4.710 0.030 . 1 . . . . 81 THR HB . 10312 1 974 . 1 1 81 81 THR HG21 H 1 1.222 0.030 . 1 . . . . 81 THR HG2 . 10312 1 975 . 1 1 81 81 THR HG22 H 1 1.222 0.030 . 1 . . . . 81 THR HG2 . 10312 1 976 . 1 1 81 81 THR HG23 H 1 1.222 0.030 . 1 . . . . 81 THR HG2 . 10312 1 977 . 1 1 81 81 THR C C 13 173.423 0.300 . 1 . . . . 81 THR C . 10312 1 978 . 1 1 81 81 THR CA C 13 59.747 0.300 . 1 . . . . 81 THR CA . 10312 1 979 . 1 1 81 81 THR CB C 13 71.835 0.300 . 1 . . . . 81 THR CB . 10312 1 980 . 1 1 81 81 THR CG2 C 13 21.445 0.300 . 1 . . . . 81 THR CG2 . 10312 1 981 . 1 1 81 81 THR N N 15 117.982 0.300 . 1 . . . . 81 THR N . 10312 1 982 . 1 1 82 82 ASP H H 1 9.548 0.030 . 1 . . . . 82 ASP H . 10312 1 983 . 1 1 82 82 ASP HA H 1 4.370 0.030 . 1 . . . . 82 ASP HA . 10312 1 984 . 1 1 82 82 ASP HB2 H 1 2.765 0.030 . 2 . . . . 82 ASP HB2 . 10312 1 985 . 1 1 82 82 ASP HB3 H 1 2.659 0.030 . 2 . . . . 82 ASP HB3 . 10312 1 986 . 1 1 82 82 ASP C C 13 177.347 0.300 . 1 . . . . 82 ASP C . 10312 1 987 . 1 1 82 82 ASP CA C 13 57.470 0.300 . 1 . . . . 82 ASP CA . 10312 1 988 . 1 1 82 82 ASP CB C 13 41.395 0.300 . 1 . . . . 82 ASP CB . 10312 1 989 . 1 1 82 82 ASP N N 15 118.892 0.300 . 1 . . . . 82 ASP N . 10312 1 990 . 1 1 83 83 THR H H 1 7.721 0.030 . 1 . . . . 83 THR H . 10312 1 991 . 1 1 83 83 THR HA H 1 4.419 0.030 . 1 . . . . 83 THR HA . 10312 1 992 . 1 1 83 83 THR HB H 1 4.241 0.030 . 1 . . . . 83 THR HB . 10312 1 993 . 1 1 83 83 THR HG21 H 1 1.163 0.030 . 1 . . . . 83 THR HG2 . 10312 1 994 . 1 1 83 83 THR HG22 H 1 1.163 0.030 . 1 . . . . 83 THR HG2 . 10312 1 995 . 1 1 83 83 THR HG23 H 1 1.163 0.030 . 1 . . . . 83 THR HG2 . 10312 1 996 . 1 1 83 83 THR C C 13 174.457 0.300 . 1 . . . . 83 THR C . 10312 1 997 . 1 1 83 83 THR CA C 13 61.600 0.300 . 1 . . . . 83 THR CA . 10312 1 998 . 1 1 83 83 THR CB C 13 70.746 0.300 . 1 . . . . 83 THR CB . 10312 1 999 . 1 1 83 83 THR CG2 C 13 21.907 0.300 . 1 . . . . 83 THR CG2 . 10312 1 1000 . 1 1 83 83 THR N N 15 104.408 0.300 . 1 . . . . 83 THR N . 10312 1 1001 . 1 1 84 84 MET H H 1 7.367 0.030 . 1 . . . . 84 MET H . 10312 1 1002 . 1 1 84 84 MET HA H 1 4.488 0.030 . 1 . . . . 84 MET HA . 10312 1 1003 . 1 1 84 84 MET HB2 H 1 1.841 0.030 . 2 . . . . 84 MET HB2 . 10312 1 1004 . 1 1 84 84 MET HB3 H 1 1.770 0.030 . 2 . . . . 84 MET HB3 . 10312 1 1005 . 1 1 84 84 MET HE1 H 1 1.843 0.030 . 1 . . . . 84 MET HE . 10312 1 1006 . 1 1 84 84 MET HE2 H 1 1.843 0.030 . 1 . . . . 84 MET HE . 10312 1 1007 . 1 1 84 84 MET HE3 H 1 1.843 0.030 . 1 . . . . 84 MET HE . 10312 1 1008 . 1 1 84 84 MET HG2 H 1 1.985 0.030 . 2 . . . . 84 MET HG2 . 10312 1 1009 . 1 1 84 84 MET HG3 H 1 1.751 0.030 . 2 . . . . 84 MET HG3 . 10312 1 1010 . 1 1 84 84 MET C C 13 173.515 0.300 . 1 . . . . 84 MET C . 10312 1 1011 . 1 1 84 84 MET CA C 13 55.477 0.300 . 1 . . . . 84 MET CA . 10312 1 1012 . 1 1 84 84 MET CB C 13 35.426 0.300 . 1 . . . . 84 MET CB . 10312 1 1013 . 1 1 84 84 MET CE C 13 16.576 0.300 . 1 . . . . 84 MET CE . 10312 1 1014 . 1 1 84 84 MET CG C 13 30.545 0.300 . 1 . . . . 84 MET CG . 10312 1 1015 . 1 1 84 84 MET N N 15 119.028 0.300 . 1 . . . . 84 MET N . 10312 1 1016 . 1 1 85 85 VAL H H 1 7.831 0.030 . 1 . . . . 85 VAL H . 10312 1 1017 . 1 1 85 85 VAL HA H 1 4.584 0.030 . 1 . . . . 85 VAL HA . 10312 1 1018 . 1 1 85 85 VAL HB H 1 1.438 0.030 . 1 . . . . 85 VAL HB . 10312 1 1019 . 1 1 85 85 VAL HG11 H 1 -0.056 0.030 . 1 . . . . 85 VAL HG1 . 10312 1 1020 . 1 1 85 85 VAL HG12 H 1 -0.056 0.030 . 1 . . . . 85 VAL HG1 . 10312 1 1021 . 1 1 85 85 VAL HG13 H 1 -0.056 0.030 . 1 . . . . 85 VAL HG1 . 10312 1 1022 . 1 1 85 85 VAL HG21 H 1 0.913 0.030 . 1 . . . . 85 VAL HG2 . 10312 1 1023 . 1 1 85 85 VAL HG22 H 1 0.913 0.030 . 1 . . . . 85 VAL HG2 . 10312 1 1024 . 1 1 85 85 VAL HG23 H 1 0.913 0.030 . 1 . . . . 85 VAL HG2 . 10312 1 1025 . 1 1 85 85 VAL C C 13 174.458 0.300 . 1 . . . . 85 VAL C . 10312 1 1026 . 1 1 85 85 VAL CA C 13 61.441 0.300 . 1 . . . . 85 VAL CA . 10312 1 1027 . 1 1 85 85 VAL CB C 13 34.242 0.300 . 1 . . . . 85 VAL CB . 10312 1 1028 . 1 1 85 85 VAL CG1 C 13 21.330 0.300 . 2 . . . . 85 VAL CG1 . 10312 1 1029 . 1 1 85 85 VAL CG2 C 13 21.953 0.300 . 2 . . . . 85 VAL CG2 . 10312 1 1030 . 1 1 85 85 VAL N N 15 123.433 0.300 . 1 . . . . 85 VAL N . 10312 1 1031 . 1 1 86 86 TYR H H 1 8.860 0.030 . 1 . . . . 86 TYR H . 10312 1 1032 . 1 1 86 86 TYR HA H 1 4.514 0.030 . 1 . . . . 86 TYR HA . 10312 1 1033 . 1 1 86 86 TYR HB2 H 1 2.868 0.030 . 2 . . . . 86 TYR HB2 . 10312 1 1034 . 1 1 86 86 TYR HB3 H 1 2.308 0.030 . 2 . . . . 86 TYR HB3 . 10312 1 1035 . 1 1 86 86 TYR HD1 H 1 6.757 0.030 . 1 . . . . 86 TYR HD1 . 10312 1 1036 . 1 1 86 86 TYR HD2 H 1 6.757 0.030 . 1 . . . . 86 TYR HD2 . 10312 1 1037 . 1 1 86 86 TYR HE1 H 1 6.353 0.030 . 1 . . . . 86 TYR HE1 . 10312 1 1038 . 1 1 86 86 TYR HE2 H 1 6.353 0.030 . 1 . . . . 86 TYR HE2 . 10312 1 1039 . 1 1 86 86 TYR C C 13 174.010 0.300 . 1 . . . . 86 TYR C . 10312 1 1040 . 1 1 86 86 TYR CA C 13 56.606 0.300 . 1 . . . . 86 TYR CA . 10312 1 1041 . 1 1 86 86 TYR CB C 13 39.414 0.300 . 1 . . . . 86 TYR CB . 10312 1 1042 . 1 1 86 86 TYR CD1 C 13 132.773 0.300 . 1 . . . . 86 TYR CD1 . 10312 1 1043 . 1 1 86 86 TYR CD2 C 13 132.773 0.300 . 1 . . . . 86 TYR CD2 . 10312 1 1044 . 1 1 86 86 TYR CE1 C 13 117.159 0.300 . 1 . . . . 86 TYR CE1 . 10312 1 1045 . 1 1 86 86 TYR CE2 C 13 117.159 0.300 . 1 . . . . 86 TYR CE2 . 10312 1 1046 . 1 1 86 86 TYR N N 15 123.323 0.300 . 1 . . . . 86 TYR N . 10312 1 1047 . 1 1 87 87 PHE H H 1 9.074 0.030 . 1 . . . . 87 PHE H . 10312 1 1048 . 1 1 87 87 PHE HA H 1 4.159 0.030 . 1 . . . . 87 PHE HA . 10312 1 1049 . 1 1 87 87 PHE HB2 H 1 1.343 0.030 . 2 . . . . 87 PHE HB2 . 10312 1 1050 . 1 1 87 87 PHE HB3 H 1 0.898 0.030 . 2 . . . . 87 PHE HB3 . 10312 1 1051 . 1 1 87 87 PHE HD1 H 1 5.853 0.030 . 1 . . . . 87 PHE HD1 . 10312 1 1052 . 1 1 87 87 PHE HD2 H 1 5.853 0.030 . 1 . . . . 87 PHE HD2 . 10312 1 1053 . 1 1 87 87 PHE HE1 H 1 6.922 0.030 . 1 . . . . 87 PHE HE1 . 10312 1 1054 . 1 1 87 87 PHE HE2 H 1 6.922 0.030 . 1 . . . . 87 PHE HE2 . 10312 1 1055 . 1 1 87 87 PHE HZ H 1 7.051 0.030 . 1 . . . . 87 PHE HZ . 10312 1 1056 . 1 1 87 87 PHE C C 13 176.212 0.300 . 1 . . . . 87 PHE C . 10312 1 1057 . 1 1 87 87 PHE CA C 13 57.223 0.300 . 1 . . . . 87 PHE CA . 10312 1 1058 . 1 1 87 87 PHE CB C 13 36.867 0.300 . 1 . . . . 87 PHE CB . 10312 1 1059 . 1 1 87 87 PHE CD1 C 13 131.772 0.300 . 1 . . . . 87 PHE CD1 . 10312 1 1060 . 1 1 87 87 PHE CD2 C 13 131.772 0.300 . 1 . . . . 87 PHE CD2 . 10312 1 1061 . 1 1 87 87 PHE CE1 C 13 130.250 0.300 . 1 . . . . 87 PHE CE1 . 10312 1 1062 . 1 1 87 87 PHE CE2 C 13 130.250 0.300 . 1 . . . . 87 PHE CE2 . 10312 1 1063 . 1 1 87 87 PHE CZ C 13 129.186 0.300 . 1 . . . . 87 PHE CZ . 10312 1 1064 . 1 1 87 87 PHE N N 15 124.993 0.300 . 1 . . . . 87 PHE N . 10312 1 1065 . 1 1 88 88 VAL H H 1 9.037 0.030 . 1 . . . . 88 VAL H . 10312 1 1066 . 1 1 88 88 VAL HA H 1 4.119 0.030 . 1 . . . . 88 VAL HA . 10312 1 1067 . 1 1 88 88 VAL HB H 1 0.213 0.030 . 1 . . . . 88 VAL HB . 10312 1 1068 . 1 1 88 88 VAL HG11 H 1 0.537 0.030 . 1 . . . . 88 VAL HG1 . 10312 1 1069 . 1 1 88 88 VAL HG12 H 1 0.537 0.030 . 1 . . . . 88 VAL HG1 . 10312 1 1070 . 1 1 88 88 VAL HG13 H 1 0.537 0.030 . 1 . . . . 88 VAL HG1 . 10312 1 1071 . 1 1 88 88 VAL HG21 H 1 0.662 0.030 . 1 . . . . 88 VAL HG2 . 10312 1 1072 . 1 1 88 88 VAL HG22 H 1 0.662 0.030 . 1 . . . . 88 VAL HG2 . 10312 1 1073 . 1 1 88 88 VAL HG23 H 1 0.662 0.030 . 1 . . . . 88 VAL HG2 . 10312 1 1074 . 1 1 88 88 VAL C C 13 176.389 0.300 . 1 . . . . 88 VAL C . 10312 1 1075 . 1 1 88 88 VAL CA C 13 64.371 0.300 . 1 . . . . 88 VAL CA . 10312 1 1076 . 1 1 88 88 VAL CB C 13 32.464 0.300 . 1 . . . . 88 VAL CB . 10312 1 1077 . 1 1 88 88 VAL CG1 C 13 25.848 0.300 . 2 . . . . 88 VAL CG1 . 10312 1 1078 . 1 1 88 88 VAL CG2 C 13 22.202 0.300 . 2 . . . . 88 VAL CG2 . 10312 1 1079 . 1 1 88 88 VAL N N 15 127.609 0.300 . 1 . . . . 88 VAL N . 10312 1 1080 . 1 1 89 89 GLY H H 1 8.774 0.030 . 1 . . . . 89 GLY H . 10312 1 1081 . 1 1 89 89 GLY HA2 H 1 4.270 0.030 . 2 . . . . 89 GLY HA2 . 10312 1 1082 . 1 1 89 89 GLY HA3 H 1 4.101 0.030 . 2 . . . . 89 GLY HA3 . 10312 1 1083 . 1 1 89 89 GLY C C 13 172.673 0.300 . 1 . . . . 89 GLY C . 10312 1 1084 . 1 1 89 89 GLY CA C 13 45.047 0.300 . 1 . . . . 89 GLY CA . 10312 1 1085 . 1 1 89 89 GLY N N 15 115.856 0.300 . 1 . . . . 89 GLY N . 10312 1 1086 . 1 1 90 90 GLU H H 1 9.786 0.030 . 1 . . . . 90 GLU H . 10312 1 1087 . 1 1 90 90 GLU HA H 1 4.503 0.030 . 1 . . . . 90 GLU HA . 10312 1 1088 . 1 1 90 90 GLU HB2 H 1 1.695 0.030 . 1 . . . . 90 GLU HB2 . 10312 1 1089 . 1 1 90 90 GLU HB3 H 1 1.695 0.030 . 1 . . . . 90 GLU HB3 . 10312 1 1090 . 1 1 90 90 GLU HG2 H 1 1.708 0.030 . 2 . . . . 90 GLU HG2 . 10312 1 1091 . 1 1 90 90 GLU HG3 H 1 1.886 0.030 . 2 . . . . 90 GLU HG3 . 10312 1 1092 . 1 1 90 90 GLU C C 13 173.208 0.300 . 1 . . . . 90 GLU C . 10312 1 1093 . 1 1 90 90 GLU CA C 13 56.455 0.300 . 1 . . . . 90 GLU CA . 10312 1 1094 . 1 1 90 90 GLU CB C 13 33.616 0.300 . 1 . . . . 90 GLU CB . 10312 1 1095 . 1 1 90 90 GLU CG C 13 36.971 0.300 . 1 . . . . 90 GLU CG . 10312 1 1096 . 1 1 90 90 GLU N N 15 123.437 0.300 . 1 . . . . 90 GLU N . 10312 1 1097 . 1 1 91 91 ASN H H 1 8.663 0.030 . 1 . . . . 91 ASN H . 10312 1 1098 . 1 1 91 91 ASN HA H 1 4.522 0.030 . 1 . . . . 91 ASN HA . 10312 1 1099 . 1 1 91 91 ASN HB2 H 1 2.927 0.030 . 2 . . . . 91 ASN HB2 . 10312 1 1100 . 1 1 91 91 ASN HB3 H 1 2.668 0.030 . 2 . . . . 91 ASN HB3 . 10312 1 1101 . 1 1 91 91 ASN HD21 H 1 7.112 0.030 . 2 . . . . 91 ASN HD21 . 10312 1 1102 . 1 1 91 91 ASN HD22 H 1 7.775 0.030 . 2 . . . . 91 ASN HD22 . 10312 1 1103 . 1 1 91 91 ASN C C 13 174.207 0.300 . 1 . . . . 91 ASN C . 10312 1 1104 . 1 1 91 91 ASN CA C 13 51.259 0.300 . 1 . . . . 91 ASN CA . 10312 1 1105 . 1 1 91 91 ASN CB C 13 37.723 0.300 . 1 . . . . 91 ASN CB . 10312 1 1106 . 1 1 91 91 ASN N N 15 124.837 0.300 . 1 . . . . 91 ASN N . 10312 1 1107 . 1 1 91 91 ASN ND2 N 15 110.614 0.300 . 1 . . . . 91 ASN ND2 . 10312 1 1108 . 1 1 92 92 ASN H H 1 8.059 0.030 . 1 . . . . 92 ASN H . 10312 1 1109 . 1 1 92 92 ASN HA H 1 4.613 0.030 . 1 . . . . 92 ASN HA . 10312 1 1110 . 1 1 92 92 ASN HB2 H 1 3.167 0.030 . 2 . . . . 92 ASN HB2 . 10312 1 1111 . 1 1 92 92 ASN HB3 H 1 2.315 0.030 . 2 . . . . 92 ASN HB3 . 10312 1 1112 . 1 1 92 92 ASN HD21 H 1 7.779 0.030 . 2 . . . . 92 ASN HD21 . 10312 1 1113 . 1 1 92 92 ASN HD22 H 1 6.771 0.030 . 2 . . . . 92 ASN HD22 . 10312 1 1114 . 1 1 92 92 ASN C C 13 176.001 0.300 . 1 . . . . 92 ASN C . 10312 1 1115 . 1 1 92 92 ASN CA C 13 51.947 0.300 . 1 . . . . 92 ASN CA . 10312 1 1116 . 1 1 92 92 ASN CB C 13 38.469 0.300 . 1 . . . . 92 ASN CB . 10312 1 1117 . 1 1 92 92 ASN N N 15 122.848 0.300 . 1 . . . . 92 ASN N . 10312 1 1118 . 1 1 92 92 ASN ND2 N 15 111.660 0.300 . 1 . . . . 92 ASN ND2 . 10312 1 1119 . 1 1 93 93 GLY H H 1 8.232 0.030 . 1 . . . . 93 GLY H . 10312 1 1120 . 1 1 93 93 GLY HA2 H 1 4.160 0.030 . 2 . . . . 93 GLY HA2 . 10312 1 1121 . 1 1 93 93 GLY HA3 H 1 3.731 0.030 . 2 . . . . 93 GLY HA3 . 10312 1 1122 . 1 1 93 93 GLY C C 13 173.618 0.300 . 1 . . . . 93 GLY C . 10312 1 1123 . 1 1 93 93 GLY CA C 13 45.895 0.300 . 1 . . . . 93 GLY CA . 10312 1 1124 . 1 1 93 93 GLY N N 15 108.484 0.300 . 1 . . . . 93 GLY N . 10312 1 1125 . 1 1 94 94 ASP H H 1 7.813 0.030 . 1 . . . . 94 ASP H . 10312 1 1126 . 1 1 94 94 ASP HA H 1 4.778 0.030 . 1 . . . . 94 ASP HA . 10312 1 1127 . 1 1 94 94 ASP HB2 H 1 2.950 0.030 . 2 . . . . 94 ASP HB2 . 10312 1 1128 . 1 1 94 94 ASP HB3 H 1 2.536 0.030 . 2 . . . . 94 ASP HB3 . 10312 1 1129 . 1 1 94 94 ASP C C 13 176.956 0.300 . 1 . . . . 94 ASP C . 10312 1 1130 . 1 1 94 94 ASP CA C 13 53.729 0.300 . 1 . . . . 94 ASP CA . 10312 1 1131 . 1 1 94 94 ASP CB C 13 41.417 0.300 . 1 . . . . 94 ASP CB . 10312 1 1132 . 1 1 94 94 ASP N N 15 119.983 0.300 . 1 . . . . 94 ASP N . 10312 1 1133 . 1 1 95 95 SER H H 1 8.790 0.030 . 1 . . . . 95 SER H . 10312 1 1134 . 1 1 95 95 SER HA H 1 4.514 0.030 . 1 . . . . 95 SER HA . 10312 1 1135 . 1 1 95 95 SER HB2 H 1 3.935 0.030 . 1 . . . . 95 SER HB2 . 10312 1 1136 . 1 1 95 95 SER HB3 H 1 3.935 0.030 . 1 . . . . 95 SER HB3 . 10312 1 1137 . 1 1 95 95 SER C C 13 174.603 0.300 . 1 . . . . 95 SER C . 10312 1 1138 . 1 1 95 95 SER CA C 13 58.512 0.300 . 1 . . . . 95 SER CA . 10312 1 1139 . 1 1 95 95 SER CB C 13 63.554 0.300 . 1 . . . . 95 SER CB . 10312 1 1140 . 1 1 95 95 SER N N 15 120.275 0.300 . 1 . . . . 95 SER N . 10312 1 1141 . 1 1 96 96 SER H H 1 8.449 0.030 . 1 . . . . 96 SER H . 10312 1 1142 . 1 1 96 96 SER HA H 1 4.341 0.030 . 1 . . . . 96 SER HA . 10312 1 1143 . 1 1 96 96 SER HB2 H 1 3.904 0.030 . 1 . . . . 96 SER HB2 . 10312 1 1144 . 1 1 96 96 SER HB3 H 1 3.904 0.030 . 1 . . . . 96 SER HB3 . 10312 1 1145 . 1 1 96 96 SER C C 13 174.071 0.300 . 1 . . . . 96 SER C . 10312 1 1146 . 1 1 96 96 SER CA C 13 59.059 0.300 . 1 . . . . 96 SER CA . 10312 1 1147 . 1 1 96 96 SER CB C 13 64.089 0.300 . 1 . . . . 96 SER CB . 10312 1 1148 . 1 1 96 96 SER N N 15 118.485 0.300 . 1 . . . . 96 SER N . 10312 1 1149 . 1 1 97 97 HIS H H 1 8.524 0.030 . 1 . . . . 97 HIS H . 10312 1 1150 . 1 1 97 97 HIS HA H 1 4.603 0.030 . 1 . . . . 97 HIS HA . 10312 1 1151 . 1 1 97 97 HIS HB2 H 1 3.163 0.030 . 2 . . . . 97 HIS HB2 . 10312 1 1152 . 1 1 97 97 HIS HB3 H 1 3.109 0.030 . 2 . . . . 97 HIS HB3 . 10312 1 1153 . 1 1 97 97 HIS HD2 H 1 7.052 0.030 . 1 . . . . 97 HIS HD2 . 10312 1 1154 . 1 1 97 97 HIS HE1 H 1 7.983 0.030 . 1 . . . . 97 HIS HE1 . 10312 1 1155 . 1 1 97 97 HIS C C 13 174.597 0.300 . 1 . . . . 97 HIS C . 10312 1 1156 . 1 1 97 97 HIS CA C 13 56.306 0.300 . 1 . . . . 97 HIS CA . 10312 1 1157 . 1 1 97 97 HIS CB C 13 29.172 0.300 . 1 . . . . 97 HIS CB . 10312 1 1158 . 1 1 97 97 HIS CD2 C 13 121.212 0.300 . 1 . . . . 97 HIS CD2 . 10312 1 1159 . 1 1 97 97 HIS CE1 C 13 137.954 0.300 . 1 . . . . 97 HIS CE1 . 10312 1 1160 . 1 1 97 97 HIS N N 15 120.624 0.300 . 1 . . . . 97 HIS N . 10312 1 1161 . 1 1 98 98 ASN H H 1 8.361 0.030 . 1 . . . . 98 ASN H . 10312 1 1162 . 1 1 98 98 ASN HA H 1 4.972 0.030 . 1 . . . . 98 ASN HA . 10312 1 1163 . 1 1 98 98 ASN HB2 H 1 2.950 0.030 . 2 . . . . 98 ASN HB2 . 10312 1 1164 . 1 1 98 98 ASN HB3 H 1 2.749 0.030 . 2 . . . . 98 ASN HB3 . 10312 1 1165 . 1 1 98 98 ASN HD21 H 1 7.059 0.030 . 2 . . . . 98 ASN HD21 . 10312 1 1166 . 1 1 98 98 ASN HD22 H 1 7.885 0.030 . 2 . . . . 98 ASN HD22 . 10312 1 1167 . 1 1 98 98 ASN C C 13 173.472 0.300 . 1 . . . . 98 ASN C . 10312 1 1168 . 1 1 98 98 ASN CA C 13 50.584 0.300 . 1 . . . . 98 ASN CA . 10312 1 1169 . 1 1 98 98 ASN CB C 13 39.240 0.300 . 1 . . . . 98 ASN CB . 10312 1 1170 . 1 1 98 98 ASN N N 15 123.141 0.300 . 1 . . . . 98 ASN N . 10312 1 1171 . 1 1 98 98 ASN ND2 N 15 113.670 0.300 . 1 . . . . 98 ASN ND2 . 10312 1 1172 . 1 1 99 99 PRO HA H 1 4.312 0.030 . 1 . . . . 99 PRO HA . 10312 1 1173 . 1 1 99 99 PRO HB2 H 1 2.422 0.030 . 2 . . . . 99 PRO HB2 . 10312 1 1174 . 1 1 99 99 PRO HB3 H 1 2.031 0.030 . 2 . . . . 99 PRO HB3 . 10312 1 1175 . 1 1 99 99 PRO HD2 H 1 3.573 0.030 . 2 . . . . 99 PRO HD2 . 10312 1 1176 . 1 1 99 99 PRO HD3 H 1 3.882 0.030 . 2 . . . . 99 PRO HD3 . 10312 1 1177 . 1 1 99 99 PRO HG2 H 1 2.111 0.030 . 2 . . . . 99 PRO HG2 . 10312 1 1178 . 1 1 99 99 PRO HG3 H 1 2.043 0.030 . 2 . . . . 99 PRO HG3 . 10312 1 1179 . 1 1 99 99 PRO C C 13 178.727 0.300 . 1 . . . . 99 PRO C . 10312 1 1180 . 1 1 99 99 PRO CA C 13 64.783 0.300 . 1 . . . . 99 PRO CA . 10312 1 1181 . 1 1 99 99 PRO CB C 13 32.359 0.300 . 1 . . . . 99 PRO CB . 10312 1 1182 . 1 1 99 99 PRO CD C 13 50.847 0.300 . 1 . . . . 99 PRO CD . 10312 1 1183 . 1 1 99 99 PRO CG C 13 27.242 0.300 . 1 . . . . 99 PRO CG . 10312 1 1184 . 1 1 100 100 VAL H H 1 7.733 0.030 . 1 . . . . 100 VAL H . 10312 1 1185 . 1 1 100 100 VAL HA H 1 3.830 0.030 . 1 . . . . 100 VAL HA . 10312 1 1186 . 1 1 100 100 VAL HB H 1 2.089 0.030 . 1 . . . . 100 VAL HB . 10312 1 1187 . 1 1 100 100 VAL HG11 H 1 1.006 0.030 . 1 . . . . 100 VAL HG1 . 10312 1 1188 . 1 1 100 100 VAL HG12 H 1 1.006 0.030 . 1 . . . . 100 VAL HG1 . 10312 1 1189 . 1 1 100 100 VAL HG13 H 1 1.006 0.030 . 1 . . . . 100 VAL HG1 . 10312 1 1190 . 1 1 100 100 VAL HG21 H 1 0.904 0.030 . 1 . . . . 100 VAL HG2 . 10312 1 1191 . 1 1 100 100 VAL HG22 H 1 0.904 0.030 . 1 . . . . 100 VAL HG2 . 10312 1 1192 . 1 1 100 100 VAL HG23 H 1 0.904 0.030 . 1 . . . . 100 VAL HG2 . 10312 1 1193 . 1 1 100 100 VAL C C 13 178.147 0.300 . 1 . . . . 100 VAL C . 10312 1 1194 . 1 1 100 100 VAL CA C 13 65.112 0.300 . 1 . . . . 100 VAL CA . 10312 1 1195 . 1 1 100 100 VAL CB C 13 31.818 0.300 . 1 . . . . 100 VAL CB . 10312 1 1196 . 1 1 100 100 VAL CG1 C 13 21.996 0.300 . 2 . . . . 100 VAL CG1 . 10312 1 1197 . 1 1 100 100 VAL CG2 C 13 20.889 0.300 . 2 . . . . 100 VAL CG2 . 10312 1 1198 . 1 1 100 100 VAL N N 15 118.747 0.300 . 1 . . . . 100 VAL N . 10312 1 1199 . 1 1 101 101 LEU H H 1 7.302 0.030 . 1 . . . . 101 LEU H . 10312 1 1200 . 1 1 101 101 LEU HA H 1 4.172 0.030 . 1 . . . . 101 LEU HA . 10312 1 1201 . 1 1 101 101 LEU HB2 H 1 1.644 0.030 . 1 . . . . 101 LEU HB2 . 10312 1 1202 . 1 1 101 101 LEU HB3 H 1 1.644 0.030 . 1 . . . . 101 LEU HB3 . 10312 1 1203 . 1 1 101 101 LEU HD11 H 1 0.870 0.030 . 1 . . . . 101 LEU HD1 . 10312 1 1204 . 1 1 101 101 LEU HD12 H 1 0.870 0.030 . 1 . . . . 101 LEU HD1 . 10312 1 1205 . 1 1 101 101 LEU HD13 H 1 0.870 0.030 . 1 . . . . 101 LEU HD1 . 10312 1 1206 . 1 1 101 101 LEU HD21 H 1 0.820 0.030 . 1 . . . . 101 LEU HD2 . 10312 1 1207 . 1 1 101 101 LEU HD22 H 1 0.820 0.030 . 1 . . . . 101 LEU HD2 . 10312 1 1208 . 1 1 101 101 LEU HD23 H 1 0.820 0.030 . 1 . . . . 101 LEU HD2 . 10312 1 1209 . 1 1 101 101 LEU HG H 1 1.579 0.030 . 1 . . . . 101 LEU HG . 10312 1 1210 . 1 1 101 101 LEU C C 13 180.295 0.300 . 1 . . . . 101 LEU C . 10312 1 1211 . 1 1 101 101 LEU CA C 13 56.500 0.300 . 1 . . . . 101 LEU CA . 10312 1 1212 . 1 1 101 101 LEU CB C 13 41.594 0.300 . 1 . . . . 101 LEU CB . 10312 1 1213 . 1 1 101 101 LEU CD1 C 13 24.708 0.300 . 2 . . . . 101 LEU CD1 . 10312 1 1214 . 1 1 101 101 LEU CD2 C 13 23.505 0.300 . 2 . . . . 101 LEU CD2 . 10312 1 1215 . 1 1 101 101 LEU CG C 13 26.661 0.300 . 1 . . . . 101 LEU CG . 10312 1 1216 . 1 1 101 101 LEU N N 15 120.711 0.300 . 1 . . . . 101 LEU N . 10312 1 1217 . 1 1 102 102 ALA H H 1 8.470 0.030 . 1 . . . . 102 ALA H . 10312 1 1218 . 1 1 102 102 ALA HA H 1 4.340 0.030 . 1 . . . . 102 ALA HA . 10312 1 1219 . 1 1 102 102 ALA HB1 H 1 1.552 0.030 . 1 . . . . 102 ALA HB . 10312 1 1220 . 1 1 102 102 ALA HB2 H 1 1.552 0.030 . 1 . . . . 102 ALA HB . 10312 1 1221 . 1 1 102 102 ALA HB3 H 1 1.552 0.030 . 1 . . . . 102 ALA HB . 10312 1 1222 . 1 1 102 102 ALA C C 13 180.547 0.300 . 1 . . . . 102 ALA C . 10312 1 1223 . 1 1 102 102 ALA CA C 13 55.124 0.300 . 1 . . . . 102 ALA CA . 10312 1 1224 . 1 1 102 102 ALA CB C 13 18.642 0.300 . 1 . . . . 102 ALA CB . 10312 1 1225 . 1 1 102 102 ALA N N 15 124.047 0.300 . 1 . . . . 102 ALA N . 10312 1 1226 . 1 1 103 103 ALA H H 1 7.792 0.030 . 1 . . . . 103 ALA H . 10312 1 1227 . 1 1 103 103 ALA HA H 1 4.392 0.030 . 1 . . . . 103 ALA HA . 10312 1 1228 . 1 1 103 103 ALA HB1 H 1 1.524 0.030 . 1 . . . . 103 ALA HB . 10312 1 1229 . 1 1 103 103 ALA HB2 H 1 1.524 0.030 . 1 . . . . 103 ALA HB . 10312 1 1230 . 1 1 103 103 ALA HB3 H 1 1.524 0.030 . 1 . . . . 103 ALA HB . 10312 1 1231 . 1 1 103 103 ALA C C 13 177.948 0.300 . 1 . . . . 103 ALA C . 10312 1 1232 . 1 1 103 103 ALA CA C 13 54.082 0.300 . 1 . . . . 103 ALA CA . 10312 1 1233 . 1 1 103 103 ALA CB C 13 18.195 0.300 . 1 . . . . 103 ALA CB . 10312 1 1234 . 1 1 103 103 ALA N N 15 119.684 0.300 . 1 . . . . 103 ALA N . 10312 1 1235 . 1 1 104 104 THR H H 1 7.722 0.030 . 1 . . . . 104 THR H . 10312 1 1236 . 1 1 104 104 THR HA H 1 4.170 0.030 . 1 . . . . 104 THR HA . 10312 1 1237 . 1 1 104 104 THR HB H 1 4.198 0.030 . 1 . . . . 104 THR HB . 10312 1 1238 . 1 1 104 104 THR HG21 H 1 1.172 0.030 . 1 . . . . 104 THR HG2 . 10312 1 1239 . 1 1 104 104 THR HG22 H 1 1.172 0.030 . 1 . . . . 104 THR HG2 . 10312 1 1240 . 1 1 104 104 THR HG23 H 1 1.172 0.030 . 1 . . . . 104 THR HG2 . 10312 1 1241 . 1 1 104 104 THR C C 13 175.249 0.300 . 1 . . . . 104 THR C . 10312 1 1242 . 1 1 104 104 THR CA C 13 61.936 0.300 . 1 . . . . 104 THR CA . 10312 1 1243 . 1 1 104 104 THR CB C 13 70.257 0.300 . 1 . . . . 104 THR CB . 10312 1 1244 . 1 1 104 104 THR CG2 C 13 21.560 0.300 . 1 . . . . 104 THR CG2 . 10312 1 1245 . 1 1 104 104 THR N N 15 106.061 0.300 . 1 . . . . 104 THR N . 10312 1 1246 . 1 1 105 105 GLY H H 1 8.126 0.030 . 1 . . . . 105 GLY H . 10312 1 1247 . 1 1 105 105 GLY HA2 H 1 4.159 0.030 . 2 . . . . 105 GLY HA2 . 10312 1 1248 . 1 1 105 105 GLY HA3 H 1 3.761 0.030 . 2 . . . . 105 GLY HA3 . 10312 1 1249 . 1 1 105 105 GLY C C 13 172.412 0.300 . 1 . . . . 105 GLY C . 10312 1 1250 . 1 1 105 105 GLY CA C 13 45.506 0.300 . 1 . . . . 105 GLY CA . 10312 1 1251 . 1 1 105 105 GLY N N 15 108.679 0.300 . 1 . . . . 105 GLY N . 10312 1 1252 . 1 1 106 106 VAL H H 1 7.326 0.030 . 1 . . . . 106 VAL H . 10312 1 1253 . 1 1 106 106 VAL HA H 1 3.905 0.030 . 1 . . . . 106 VAL HA . 10312 1 1254 . 1 1 106 106 VAL HB H 1 1.731 0.030 . 1 . . . . 106 VAL HB . 10312 1 1255 . 1 1 106 106 VAL HG11 H 1 0.806 0.030 . 1 . . . . 106 VAL HG1 . 10312 1 1256 . 1 1 106 106 VAL HG12 H 1 0.806 0.030 . 1 . . . . 106 VAL HG1 . 10312 1 1257 . 1 1 106 106 VAL HG13 H 1 0.806 0.030 . 1 . . . . 106 VAL HG1 . 10312 1 1258 . 1 1 106 106 VAL HG21 H 1 0.793 0.030 . 1 . . . . 106 VAL HG2 . 10312 1 1259 . 1 1 106 106 VAL HG22 H 1 0.793 0.030 . 1 . . . . 106 VAL HG2 . 10312 1 1260 . 1 1 106 106 VAL HG23 H 1 0.793 0.030 . 1 . . . . 106 VAL HG2 . 10312 1 1261 . 1 1 106 106 VAL C C 13 174.187 0.300 . 1 . . . . 106 VAL C . 10312 1 1262 . 1 1 106 106 VAL CA C 13 63.241 0.300 . 1 . . . . 106 VAL CA . 10312 1 1263 . 1 1 106 106 VAL CB C 13 33.616 0.300 . 1 . . . . 106 VAL CB . 10312 1 1264 . 1 1 106 106 VAL CG1 C 13 21.558 0.300 . 2 . . . . 106 VAL CG1 . 10312 1 1265 . 1 1 106 106 VAL CG2 C 13 21.035 0.300 . 2 . . . . 106 VAL CG2 . 10312 1 1266 . 1 1 106 106 VAL N N 15 119.742 0.300 . 1 . . . . 106 VAL N . 10312 1 1267 . 1 1 107 107 GLY H H 1 8.035 0.030 . 1 . . . . 107 GLY H . 10312 1 1268 . 1 1 107 107 GLY HA2 H 1 4.725 0.030 . 2 . . . . 107 GLY HA2 . 10312 1 1269 . 1 1 107 107 GLY HA3 H 1 4.007 0.030 . 2 . . . . 107 GLY HA3 . 10312 1 1270 . 1 1 107 107 GLY C C 13 175.309 0.300 . 1 . . . . 107 GLY C . 10312 1 1271 . 1 1 107 107 GLY CA C 13 44.289 0.300 . 1 . . . . 107 GLY CA . 10312 1 1272 . 1 1 107 107 GLY N N 15 114.488 0.300 . 1 . . . . 107 GLY N . 10312 1 1273 . 1 1 108 108 LEU H H 1 9.170 0.030 . 1 . . . . 108 LEU H . 10312 1 1274 . 1 1 108 108 LEU HA H 1 4.421 0.030 . 1 . . . . 108 LEU HA . 10312 1 1275 . 1 1 108 108 LEU HB2 H 1 1.803 0.030 . 2 . . . . 108 LEU HB2 . 10312 1 1276 . 1 1 108 108 LEU HB3 H 1 1.445 0.030 . 2 . . . . 108 LEU HB3 . 10312 1 1277 . 1 1 108 108 LEU HD11 H 1 1.041 0.030 . 1 . . . . 108 LEU HD1 . 10312 1 1278 . 1 1 108 108 LEU HD12 H 1 1.041 0.030 . 1 . . . . 108 LEU HD1 . 10312 1 1279 . 1 1 108 108 LEU HD13 H 1 1.041 0.030 . 1 . . . . 108 LEU HD1 . 10312 1 1280 . 1 1 108 108 LEU HD21 H 1 0.939 0.030 . 1 . . . . 108 LEU HD2 . 10312 1 1281 . 1 1 108 108 LEU HD22 H 1 0.939 0.030 . 1 . . . . 108 LEU HD2 . 10312 1 1282 . 1 1 108 108 LEU HD23 H 1 0.939 0.030 . 1 . . . . 108 LEU HD2 . 10312 1 1283 . 1 1 108 108 LEU HG H 1 1.522 0.030 . 1 . . . . 108 LEU HG . 10312 1 1284 . 1 1 108 108 LEU C C 13 177.935 0.300 . 1 . . . . 108 LEU C . 10312 1 1285 . 1 1 108 108 LEU CA C 13 58.079 0.300 . 1 . . . . 108 LEU CA . 10312 1 1286 . 1 1 108 108 LEU CB C 13 42.965 0.300 . 1 . . . . 108 LEU CB . 10312 1 1287 . 1 1 108 108 LEU CD1 C 13 24.169 0.300 . 2 . . . . 108 LEU CD1 . 10312 1 1288 . 1 1 108 108 LEU CD2 C 13 25.475 0.300 . 2 . . . . 108 LEU CD2 . 10312 1 1289 . 1 1 108 108 LEU CG C 13 27.226 0.300 . 1 . . . . 108 LEU CG . 10312 1 1290 . 1 1 108 108 LEU N N 15 125.513 0.300 . 1 . . . . 108 LEU N . 10312 1 1291 . 1 1 109 109 ASP H H 1 8.670 0.030 . 1 . . . . 109 ASP H . 10312 1 1292 . 1 1 109 109 ASP HA H 1 4.343 0.030 . 1 . . . . 109 ASP HA . 10312 1 1293 . 1 1 109 109 ASP HB2 H 1 2.691 0.030 . 2 . . . . 109 ASP HB2 . 10312 1 1294 . 1 1 109 109 ASP HB3 H 1 2.662 0.030 . 2 . . . . 109 ASP HB3 . 10312 1 1295 . 1 1 109 109 ASP C C 13 179.573 0.300 . 1 . . . . 109 ASP C . 10312 1 1296 . 1 1 109 109 ASP CA C 13 54.634 0.300 . 1 . . . . 109 ASP CA . 10312 1 1297 . 1 1 109 109 ASP CB C 13 40.386 0.300 . 1 . . . . 109 ASP CB . 10312 1 1298 . 1 1 109 109 ASP N N 15 118.295 0.300 . 1 . . . . 109 ASP N . 10312 1 1299 . 1 1 110 110 VAL H H 1 8.243 0.030 . 1 . . . . 110 VAL H . 10312 1 1300 . 1 1 110 110 VAL HA H 1 4.172 0.030 . 1 . . . . 110 VAL HA . 10312 1 1301 . 1 1 110 110 VAL HB H 1 2.160 0.030 . 1 . . . . 110 VAL HB . 10312 1 1302 . 1 1 110 110 VAL HG11 H 1 1.082 0.030 . 1 . . . . 110 VAL HG1 . 10312 1 1303 . 1 1 110 110 VAL HG12 H 1 1.082 0.030 . 1 . . . . 110 VAL HG1 . 10312 1 1304 . 1 1 110 110 VAL HG13 H 1 1.082 0.030 . 1 . . . . 110 VAL HG1 . 10312 1 1305 . 1 1 110 110 VAL HG21 H 1 1.225 0.030 . 1 . . . . 110 VAL HG2 . 10312 1 1306 . 1 1 110 110 VAL HG22 H 1 1.225 0.030 . 1 . . . . 110 VAL HG2 . 10312 1 1307 . 1 1 110 110 VAL HG23 H 1 1.225 0.030 . 1 . . . . 110 VAL HG2 . 10312 1 1308 . 1 1 110 110 VAL C C 13 178.497 0.300 . 1 . . . . 110 VAL C . 10312 1 1309 . 1 1 110 110 VAL CA C 13 64.637 0.300 . 1 . . . . 110 VAL CA . 10312 1 1310 . 1 1 110 110 VAL CB C 13 31.683 0.300 . 1 . . . . 110 VAL CB . 10312 1 1311 . 1 1 110 110 VAL CG1 C 13 21.179 0.300 . 2 . . . . 110 VAL CG1 . 10312 1 1312 . 1 1 110 110 VAL CG2 C 13 22.236 0.300 . 2 . . . . 110 VAL CG2 . 10312 1 1313 . 1 1 110 110 VAL N N 15 119.150 0.300 . 1 . . . . 110 VAL N . 10312 1 1314 . 1 1 111 111 ALA H H 1 7.530 0.030 . 1 . . . . 111 ALA H . 10312 1 1315 . 1 1 111 111 ALA HA H 1 4.372 0.030 . 1 . . . . 111 ALA HA . 10312 1 1316 . 1 1 111 111 ALA HB1 H 1 1.920 0.030 . 1 . . . . 111 ALA HB . 10312 1 1317 . 1 1 111 111 ALA HB2 H 1 1.920 0.030 . 1 . . . . 111 ALA HB . 10312 1 1318 . 1 1 111 111 ALA HB3 H 1 1.920 0.030 . 1 . . . . 111 ALA HB . 10312 1 1319 . 1 1 111 111 ALA C C 13 179.622 0.300 . 1 . . . . 111 ALA C . 10312 1 1320 . 1 1 111 111 ALA CA C 13 56.377 0.300 . 1 . . . . 111 ALA CA . 10312 1 1321 . 1 1 111 111 ALA CB C 13 19.182 0.300 . 1 . . . . 111 ALA CB . 10312 1 1322 . 1 1 111 111 ALA N N 15 124.214 0.300 . 1 . . . . 111 ALA N . 10312 1 1323 . 1 1 112 112 GLN H H 1 9.206 0.030 . 1 . . . . 112 GLN H . 10312 1 1324 . 1 1 112 112 GLN HA H 1 4.151 0.030 . 1 . . . . 112 GLN HA . 10312 1 1325 . 1 1 112 112 GLN HB2 H 1 2.367 0.030 . 2 . . . . 112 GLN HB2 . 10312 1 1326 . 1 1 112 112 GLN HB3 H 1 1.991 0.030 . 2 . . . . 112 GLN HB3 . 10312 1 1327 . 1 1 112 112 GLN HE21 H 1 7.573 0.030 . 2 . . . . 112 GLN HE21 . 10312 1 1328 . 1 1 112 112 GLN HE22 H 1 6.833 0.030 . 2 . . . . 112 GLN HE22 . 10312 1 1329 . 1 1 112 112 GLN HG2 H 1 2.750 0.030 . 2 . . . . 112 GLN HG2 . 10312 1 1330 . 1 1 112 112 GLN HG3 H 1 2.482 0.030 . 2 . . . . 112 GLN HG3 . 10312 1 1331 . 1 1 112 112 GLN C C 13 179.018 0.300 . 1 . . . . 112 GLN C . 10312 1 1332 . 1 1 112 112 GLN CA C 13 59.359 0.300 . 1 . . . . 112 GLN CA . 10312 1 1333 . 1 1 112 112 GLN CB C 13 28.163 0.300 . 1 . . . . 112 GLN CB . 10312 1 1334 . 1 1 112 112 GLN CG C 13 34.924 0.300 . 1 . . . . 112 GLN CG . 10312 1 1335 . 1 1 112 112 GLN N N 15 118.565 0.300 . 1 . . . . 112 GLN N . 10312 1 1336 . 1 1 112 112 GLN NE2 N 15 111.418 0.300 . 1 . . . . 112 GLN NE2 . 10312 1 1337 . 1 1 113 113 SER H H 1 7.753 0.030 . 1 . . . . 113 SER H . 10312 1 1338 . 1 1 113 113 SER HA H 1 4.134 0.030 . 1 . . . . 113 SER HA . 10312 1 1339 . 1 1 113 113 SER HB2 H 1 3.962 0.030 . 1 . . . . 113 SER HB2 . 10312 1 1340 . 1 1 113 113 SER HB3 H 1 3.962 0.030 . 1 . . . . 113 SER HB3 . 10312 1 1341 . 1 1 113 113 SER C C 13 178.661 0.300 . 1 . . . . 113 SER C . 10312 1 1342 . 1 1 113 113 SER CA C 13 61.371 0.300 . 1 . . . . 113 SER CA . 10312 1 1343 . 1 1 113 113 SER CB C 13 62.567 0.300 . 1 . . . . 113 SER CB . 10312 1 1344 . 1 1 113 113 SER N N 15 114.604 0.300 . 1 . . . . 113 SER N . 10312 1 1345 . 1 1 114 114 TRP H H 1 7.722 0.030 . 1 . . . . 114 TRP H . 10312 1 1346 . 1 1 114 114 TRP HA H 1 3.922 0.030 . 1 . . . . 114 TRP HA . 10312 1 1347 . 1 1 114 114 TRP HB2 H 1 3.548 0.030 . 2 . . . . 114 TRP HB2 . 10312 1 1348 . 1 1 114 114 TRP HB3 H 1 3.267 0.030 . 2 . . . . 114 TRP HB3 . 10312 1 1349 . 1 1 114 114 TRP HD1 H 1 7.358 0.030 . 1 . . . . 114 TRP HD1 . 10312 1 1350 . 1 1 114 114 TRP HE1 H 1 10.661 0.030 . 1 . . . . 114 TRP HE1 . 10312 1 1351 . 1 1 114 114 TRP HE3 H 1 7.552 0.030 . 1 . . . . 114 TRP HE3 . 10312 1 1352 . 1 1 114 114 TRP HH2 H 1 6.861 0.030 . 1 . . . . 114 TRP HH2 . 10312 1 1353 . 1 1 114 114 TRP HZ2 H 1 7.048 0.030 . 1 . . . . 114 TRP HZ2 . 10312 1 1354 . 1 1 114 114 TRP HZ3 H 1 7.031 0.030 . 1 . . . . 114 TRP HZ3 . 10312 1 1355 . 1 1 114 114 TRP C C 13 177.045 0.300 . 1 . . . . 114 TRP C . 10312 1 1356 . 1 1 114 114 TRP CA C 13 62.235 0.300 . 1 . . . . 114 TRP CA . 10312 1 1357 . 1 1 114 114 TRP CB C 13 29.052 0.300 . 1 . . . . 114 TRP CB . 10312 1 1358 . 1 1 114 114 TRP CD1 C 13 127.324 0.300 . 1 . . . . 114 TRP CD1 . 10312 1 1359 . 1 1 114 114 TRP CE3 C 13 118.408 0.300 . 1 . . . . 114 TRP CE3 . 10312 1 1360 . 1 1 114 114 TRP CH2 C 13 124.748 0.300 . 1 . . . . 114 TRP CH2 . 10312 1 1361 . 1 1 114 114 TRP CZ2 C 13 115.162 0.300 . 1 . . . . 114 TRP CZ2 . 10312 1 1362 . 1 1 114 114 TRP CZ3 C 13 121.325 0.300 . 1 . . . . 114 TRP CZ3 . 10312 1 1363 . 1 1 114 114 TRP N N 15 123.099 0.300 . 1 . . . . 114 TRP N . 10312 1 1364 . 1 1 114 114 TRP NE1 N 15 129.698 0.300 . 1 . . . . 114 TRP NE1 . 10312 1 1365 . 1 1 115 115 GLU H H 1 8.682 0.030 . 1 . . . . 115 GLU H . 10312 1 1366 . 1 1 115 115 GLU HA H 1 2.693 0.030 . 1 . . . . 115 GLU HA . 10312 1 1367 . 1 1 115 115 GLU HB2 H 1 1.693 0.030 . 2 . . . . 115 GLU HB2 . 10312 1 1368 . 1 1 115 115 GLU HB3 H 1 0.981 0.030 . 2 . . . . 115 GLU HB3 . 10312 1 1369 . 1 1 115 115 GLU HG2 H 1 1.377 0.030 . 2 . . . . 115 GLU HG2 . 10312 1 1370 . 1 1 115 115 GLU HG3 H 1 1.642 0.030 . 2 . . . . 115 GLU HG3 . 10312 1 1371 . 1 1 115 115 GLU C C 13 178.056 0.300 . 1 . . . . 115 GLU C . 10312 1 1372 . 1 1 115 115 GLU CA C 13 60.259 0.300 . 1 . . . . 115 GLU CA . 10312 1 1373 . 1 1 115 115 GLU CB C 13 28.920 0.300 . 1 . . . . 115 GLU CB . 10312 1 1374 . 1 1 115 115 GLU CG C 13 35.525 0.300 . 1 . . . . 115 GLU CG . 10312 1 1375 . 1 1 115 115 GLU N N 15 122.021 0.300 . 1 . . . . 115 GLU N . 10312 1 1376 . 1 1 116 116 LYS H H 1 7.808 0.030 . 1 . . . . 116 LYS H . 10312 1 1377 . 1 1 116 116 LYS HA H 1 3.764 0.030 . 1 . . . . 116 LYS HA . 10312 1 1378 . 1 1 116 116 LYS HB2 H 1 1.762 0.030 . 1 . . . . 116 LYS HB2 . 10312 1 1379 . 1 1 116 116 LYS HB3 H 1 1.762 0.030 . 1 . . . . 116 LYS HB3 . 10312 1 1380 . 1 1 116 116 LYS HD2 H 1 1.592 0.030 . 1 . . . . 116 LYS HD2 . 10312 1 1381 . 1 1 116 116 LYS HD3 H 1 1.592 0.030 . 1 . . . . 116 LYS HD3 . 10312 1 1382 . 1 1 116 116 LYS HE2 H 1 2.872 0.030 . 1 . . . . 116 LYS HE2 . 10312 1 1383 . 1 1 116 116 LYS HE3 H 1 2.872 0.030 . 1 . . . . 116 LYS HE3 . 10312 1 1384 . 1 1 116 116 LYS HG2 H 1 1.482 0.030 . 2 . . . . 116 LYS HG2 . 10312 1 1385 . 1 1 116 116 LYS HG3 H 1 1.307 0.030 . 2 . . . . 116 LYS HG3 . 10312 1 1386 . 1 1 116 116 LYS C C 13 178.688 0.300 . 1 . . . . 116 LYS C . 10312 1 1387 . 1 1 116 116 LYS CA C 13 59.553 0.300 . 1 . . . . 116 LYS CA . 10312 1 1388 . 1 1 116 116 LYS CB C 13 32.547 0.300 . 1 . . . . 116 LYS CB . 10312 1 1389 . 1 1 116 116 LYS CD C 13 29.375 0.300 . 1 . . . . 116 LYS CD . 10312 1 1390 . 1 1 116 116 LYS CE C 13 42.029 0.300 . 1 . . . . 116 LYS CE . 10312 1 1391 . 1 1 116 116 LYS CG C 13 25.124 0.300 . 1 . . . . 116 LYS CG . 10312 1 1392 . 1 1 116 116 LYS N N 15 116.275 0.300 . 1 . . . . 116 LYS N . 10312 1 1393 . 1 1 117 117 ALA H H 1 7.458 0.030 . 1 . . . . 117 ALA H . 10312 1 1394 . 1 1 117 117 ALA HA H 1 4.001 0.030 . 1 . . . . 117 ALA HA . 10312 1 1395 . 1 1 117 117 ALA HB1 H 1 1.167 0.030 . 1 . . . . 117 ALA HB . 10312 1 1396 . 1 1 117 117 ALA HB2 H 1 1.167 0.030 . 1 . . . . 117 ALA HB . 10312 1 1397 . 1 1 117 117 ALA HB3 H 1 1.167 0.030 . 1 . . . . 117 ALA HB . 10312 1 1398 . 1 1 117 117 ALA C C 13 180.268 0.300 . 1 . . . . 117 ALA C . 10312 1 1399 . 1 1 117 117 ALA CA C 13 54.912 0.300 . 1 . . . . 117 ALA CA . 10312 1 1400 . 1 1 117 117 ALA CB C 13 18.589 0.300 . 1 . . . . 117 ALA CB . 10312 1 1401 . 1 1 117 117 ALA N N 15 120.717 0.300 . 1 . . . . 117 ALA N . 10312 1 1402 . 1 1 118 118 ILE H H 1 8.690 0.030 . 1 . . . . 118 ILE H . 10312 1 1403 . 1 1 118 118 ILE HA H 1 3.639 0.030 . 1 . . . . 118 ILE HA . 10312 1 1404 . 1 1 118 118 ILE HB H 1 1.757 0.030 . 1 . . . . 118 ILE HB . 10312 1 1405 . 1 1 118 118 ILE HD11 H 1 1.321 0.030 . 1 . . . . 118 ILE HD1 . 10312 1 1406 . 1 1 118 118 ILE HD12 H 1 1.321 0.030 . 1 . . . . 118 ILE HD1 . 10312 1 1407 . 1 1 118 118 ILE HD13 H 1 1.321 0.030 . 1 . . . . 118 ILE HD1 . 10312 1 1408 . 1 1 118 118 ILE HG12 H 1 1.093 0.030 . 2 . . . . 118 ILE HG12 . 10312 1 1409 . 1 1 118 118 ILE HG13 H 1 2.422 0.030 . 2 . . . . 118 ILE HG13 . 10312 1 1410 . 1 1 118 118 ILE HG21 H 1 0.915 0.030 . 1 . . . . 118 ILE HG2 . 10312 1 1411 . 1 1 118 118 ILE HG22 H 1 0.915 0.030 . 1 . . . . 118 ILE HG2 . 10312 1 1412 . 1 1 118 118 ILE HG23 H 1 0.915 0.030 . 1 . . . . 118 ILE HG2 . 10312 1 1413 . 1 1 118 118 ILE C C 13 177.263 0.300 . 1 . . . . 118 ILE C . 10312 1 1414 . 1 1 118 118 ILE CA C 13 65.906 0.300 . 1 . . . . 118 ILE CA . 10312 1 1415 . 1 1 118 118 ILE CB C 13 38.463 0.300 . 1 . . . . 118 ILE CB . 10312 1 1416 . 1 1 118 118 ILE CD1 C 13 15.203 0.300 . 1 . . . . 118 ILE CD1 . 10312 1 1417 . 1 1 118 118 ILE CG1 C 13 30.614 0.300 . 1 . . . . 118 ILE CG1 . 10312 1 1418 . 1 1 118 118 ILE CG2 C 13 18.068 0.300 . 1 . . . . 118 ILE CG2 . 10312 1 1419 . 1 1 118 118 ILE N N 15 118.566 0.300 . 1 . . . . 118 ILE N . 10312 1 1420 . 1 1 119 119 ARG H H 1 8.431 0.030 . 1 . . . . 119 ARG H . 10312 1 1421 . 1 1 119 119 ARG HA H 1 3.812 0.030 . 1 . . . . 119 ARG HA . 10312 1 1422 . 1 1 119 119 ARG HB2 H 1 1.804 0.030 . 2 . . . . 119 ARG HB2 . 10312 1 1423 . 1 1 119 119 ARG HB3 H 1 1.710 0.030 . 2 . . . . 119 ARG HB3 . 10312 1 1424 . 1 1 119 119 ARG HD2 H 1 3.176 0.030 . 2 . . . . 119 ARG HD2 . 10312 1 1425 . 1 1 119 119 ARG HD3 H 1 3.010 0.030 . 2 . . . . 119 ARG HD3 . 10312 1 1426 . 1 1 119 119 ARG HG2 H 1 1.542 0.030 . 1 . . . . 119 ARG HG2 . 10312 1 1427 . 1 1 119 119 ARG HG3 H 1 1.542 0.030 . 1 . . . . 119 ARG HG3 . 10312 1 1428 . 1 1 119 119 ARG C C 13 179.728 0.300 . 1 . . . . 119 ARG C . 10312 1 1429 . 1 1 119 119 ARG CA C 13 60.926 0.300 . 1 . . . . 119 ARG CA . 10312 1 1430 . 1 1 119 119 ARG CB C 13 29.874 0.300 . 1 . . . . 119 ARG CB . 10312 1 1431 . 1 1 119 119 ARG CD C 13 43.280 0.300 . 1 . . . . 119 ARG CD . 10312 1 1432 . 1 1 119 119 ARG CG C 13 29.555 0.300 . 1 . . . . 119 ARG CG . 10312 1 1433 . 1 1 119 119 ARG N N 15 117.811 0.300 . 1 . . . . 119 ARG N . 10312 1 1434 . 1 1 120 120 GLN H H 1 8.050 0.030 . 1 . . . . 120 GLN H . 10312 1 1435 . 1 1 120 120 GLN HA H 1 4.002 0.030 . 1 . . . . 120 GLN HA . 10312 1 1436 . 1 1 120 120 GLN HB2 H 1 2.153 0.030 . 2 . . . . 120 GLN HB2 . 10312 1 1437 . 1 1 120 120 GLN HB3 H 1 2.070 0.030 . 2 . . . . 120 GLN HB3 . 10312 1 1438 . 1 1 120 120 GLN HE21 H 1 7.392 0.030 . 2 . . . . 120 GLN HE21 . 10312 1 1439 . 1 1 120 120 GLN HE22 H 1 6.802 0.030 . 2 . . . . 120 GLN HE22 . 10312 1 1440 . 1 1 120 120 GLN HG2 H 1 2.413 0.030 . 2 . . . . 120 GLN HG2 . 10312 1 1441 . 1 1 120 120 GLN HG3 H 1 2.325 0.030 . 2 . . . . 120 GLN HG3 . 10312 1 1442 . 1 1 120 120 GLN C C 13 178.492 0.300 . 1 . . . . 120 GLN C . 10312 1 1443 . 1 1 120 120 GLN CA C 13 58.777 0.300 . 1 . . . . 120 GLN CA . 10312 1 1444 . 1 1 120 120 GLN CB C 13 28.237 0.300 . 1 . . . . 120 GLN CB . 10312 1 1445 . 1 1 120 120 GLN CG C 13 34.030 0.300 . 1 . . . . 120 GLN CG . 10312 1 1446 . 1 1 120 120 GLN N N 15 117.203 0.300 . 1 . . . . 120 GLN N . 10312 1 1447 . 1 1 120 120 GLN NE2 N 15 111.922 0.300 . 1 . . . . 120 GLN NE2 . 10312 1 1448 . 1 1 121 121 ALA H H 1 7.946 0.030 . 1 . . . . 121 ALA H . 10312 1 1449 . 1 1 121 121 ALA HA H 1 4.131 0.030 . 1 . . . . 121 ALA HA . 10312 1 1450 . 1 1 121 121 ALA HB1 H 1 1.512 0.030 . 1 . . . . 121 ALA HB . 10312 1 1451 . 1 1 121 121 ALA HB2 H 1 1.512 0.030 . 1 . . . . 121 ALA HB . 10312 1 1452 . 1 1 121 121 ALA HB3 H 1 1.512 0.030 . 1 . . . . 121 ALA HB . 10312 1 1453 . 1 1 121 121 ALA C C 13 179.730 0.300 . 1 . . . . 121 ALA C . 10312 1 1454 . 1 1 121 121 ALA CA C 13 54.466 0.300 . 1 . . . . 121 ALA CA . 10312 1 1455 . 1 1 121 121 ALA CB C 13 18.686 0.300 . 1 . . . . 121 ALA CB . 10312 1 1456 . 1 1 121 121 ALA N N 15 123.000 0.300 . 1 . . . . 121 ALA N . 10312 1 1457 . 1 1 122 122 LEU H H 1 7.876 0.030 . 1 . . . . 122 LEU H . 10312 1 1458 . 1 1 122 122 LEU HA H 1 4.122 0.030 . 1 . . . . 122 LEU HA . 10312 1 1459 . 1 1 122 122 LEU HB2 H 1 1.821 0.030 . 2 . . . . 122 LEU HB2 . 10312 1 1460 . 1 1 122 122 LEU HB3 H 1 1.619 0.030 . 2 . . . . 122 LEU HB3 . 10312 1 1461 . 1 1 122 122 LEU HD11 H 1 0.882 0.030 . 1 . . . . 122 LEU HD1 . 10312 1 1462 . 1 1 122 122 LEU HD12 H 1 0.882 0.030 . 1 . . . . 122 LEU HD1 . 10312 1 1463 . 1 1 122 122 LEU HD13 H 1 0.882 0.030 . 1 . . . . 122 LEU HD1 . 10312 1 1464 . 1 1 122 122 LEU HD21 H 1 0.834 0.030 . 1 . . . . 122 LEU HD2 . 10312 1 1465 . 1 1 122 122 LEU HD22 H 1 0.834 0.030 . 1 . . . . 122 LEU HD2 . 10312 1 1466 . 1 1 122 122 LEU HD23 H 1 0.834 0.030 . 1 . . . . 122 LEU HD2 . 10312 1 1467 . 1 1 122 122 LEU HG H 1 1.911 0.030 . 1 . . . . 122 LEU HG . 10312 1 1468 . 1 1 122 122 LEU C C 13 178.322 0.300 . 1 . . . . 122 LEU C . 10312 1 1469 . 1 1 122 122 LEU CA C 13 56.395 0.300 . 1 . . . . 122 LEU CA . 10312 1 1470 . 1 1 122 122 LEU CB C 13 42.213 0.300 . 1 . . . . 122 LEU CB . 10312 1 1471 . 1 1 122 122 LEU CD1 C 13 24.186 0.300 . 2 . . . . 122 LEU CD1 . 10312 1 1472 . 1 1 122 122 LEU CD2 C 13 26.128 0.300 . 2 . . . . 122 LEU CD2 . 10312 1 1473 . 1 1 122 122 LEU CG C 13 26.465 0.300 . 1 . . . . 122 LEU CG . 10312 1 1474 . 1 1 122 122 LEU N N 15 117.187 0.300 . 1 . . . . 122 LEU N . 10312 1 1475 . 1 1 123 123 MET H H 1 7.622 0.030 . 1 . . . . 123 MET H . 10312 1 1476 . 1 1 123 123 MET HA H 1 4.396 0.030 . 1 . . . . 123 MET HA . 10312 1 1477 . 1 1 123 123 MET HB2 H 1 2.174 0.030 . 2 . . . . 123 MET HB2 . 10312 1 1478 . 1 1 123 123 MET HB3 H 1 2.135 0.030 . 2 . . . . 123 MET HB3 . 10312 1 1479 . 1 1 123 123 MET HE1 H 1 2.082 0.030 . 1 . . . . 123 MET HE . 10312 1 1480 . 1 1 123 123 MET HE2 H 1 2.082 0.030 . 1 . . . . 123 MET HE . 10312 1 1481 . 1 1 123 123 MET HE3 H 1 2.082 0.030 . 1 . . . . 123 MET HE . 10312 1 1482 . 1 1 123 123 MET HG2 H 1 2.730 0.030 . 2 . . . . 123 MET HG2 . 10312 1 1483 . 1 1 123 123 MET HG3 H 1 2.633 0.030 . 2 . . . . 123 MET HG3 . 10312 1 1484 . 1 1 123 123 MET C C 13 176.625 0.300 . 1 . . . . 123 MET C . 10312 1 1485 . 1 1 123 123 MET CA C 13 56.377 0.300 . 1 . . . . 123 MET CA . 10312 1 1486 . 1 1 123 123 MET CB C 13 32.662 0.300 . 1 . . . . 123 MET CB . 10312 1 1487 . 1 1 123 123 MET CE C 13 16.885 0.300 . 1 . . . . 123 MET CE . 10312 1 1488 . 1 1 123 123 MET CG C 13 31.970 0.300 . 1 . . . . 123 MET CG . 10312 1 1489 . 1 1 123 123 MET N N 15 117.684 0.300 . 1 . . . . 123 MET N . 10312 1 1490 . 1 1 124 124 SER H H 1 7.907 0.030 . 1 . . . . 124 SER H . 10312 1 1491 . 1 1 124 124 SER HA H 1 4.469 0.030 . 1 . . . . 124 SER HA . 10312 1 1492 . 1 1 124 124 SER HB2 H 1 3.924 0.030 . 1 . . . . 124 SER HB2 . 10312 1 1493 . 1 1 124 124 SER HB3 H 1 3.924 0.030 . 1 . . . . 124 SER HB3 . 10312 1 1494 . 1 1 124 124 SER C C 13 174.643 0.300 . 1 . . . . 124 SER C . 10312 1 1495 . 1 1 124 124 SER CA C 13 58.865 0.300 . 1 . . . . 124 SER CA . 10312 1 1496 . 1 1 124 124 SER CB C 13 63.842 0.300 . 1 . . . . 124 SER CB . 10312 1 1497 . 1 1 124 124 SER N N 15 115.125 0.300 . 1 . . . . 124 SER N . 10312 1 1498 . 1 1 125 125 GLY H H 1 8.057 0.030 . 1 . . . . 125 GLY H . 10312 1 1499 . 1 1 125 125 GLY HA2 H 1 4.193 0.030 . 2 . . . . 125 GLY HA2 . 10312 1 1500 . 1 1 125 125 GLY HA3 H 1 4.087 0.030 . 2 . . . . 125 GLY HA3 . 10312 1 1501 . 1 1 125 125 GLY C C 13 171.969 0.300 . 1 . . . . 125 GLY C . 10312 1 1502 . 1 1 125 125 GLY CA C 13 44.924 0.300 . 1 . . . . 125 GLY CA . 10312 1 1503 . 1 1 125 125 GLY N N 15 110.318 0.300 . 1 . . . . 125 GLY N . 10312 1 1504 . 1 1 126 126 PRO HA H 1 4.484 0.030 . 1 . . . . 126 PRO HA . 10312 1 1505 . 1 1 126 126 PRO HB2 H 1 2.285 0.030 . 2 . . . . 126 PRO HB2 . 10312 1 1506 . 1 1 126 126 PRO HB3 H 1 1.981 0.030 . 2 . . . . 126 PRO HB3 . 10312 1 1507 . 1 1 126 126 PRO HD2 H 1 3.651 0.030 . 1 . . . . 126 PRO HD2 . 10312 1 1508 . 1 1 126 126 PRO HD3 H 1 3.651 0.030 . 1 . . . . 126 PRO HD3 . 10312 1 1509 . 1 1 126 126 PRO HG2 H 1 2.010 0.030 . 1 . . . . 126 PRO HG2 . 10312 1 1510 . 1 1 126 126 PRO HG3 H 1 2.010 0.030 . 1 . . . . 126 PRO HG3 . 10312 1 1511 . 1 1 126 126 PRO C C 13 177.433 0.300 . 1 . . . . 126 PRO C . 10312 1 1512 . 1 1 126 126 PRO CA C 13 63.347 0.300 . 1 . . . . 126 PRO CA . 10312 1 1513 . 1 1 126 126 PRO CB C 13 32.177 0.300 . 1 . . . . 126 PRO CB . 10312 1 1514 . 1 1 126 126 PRO CD C 13 49.914 0.300 . 1 . . . . 126 PRO CD . 10312 1 1515 . 1 1 126 126 PRO CG C 13 27.232 0.300 . 1 . . . . 126 PRO CG . 10312 1 1516 . 1 1 127 127 SER H H 1 8.480 0.030 . 1 . . . . 127 SER H . 10312 1 1517 . 1 1 127 127 SER C C 13 174.732 0.300 . 1 . . . . 127 SER C . 10312 1 1518 . 1 1 127 127 SER CA C 13 58.335 0.300 . 1 . . . . 127 SER CA . 10312 1 1519 . 1 1 127 127 SER CB C 13 63.924 0.300 . 1 . . . . 127 SER CB . 10312 1 1520 . 1 1 127 127 SER N N 15 116.161 0.300 . 1 . . . . 127 SER N . 10312 1 stop_ save_