data_17768 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17768 _Entry.Title ; Structure of bacteriophage SPP1 gp17 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-07 _Entry.Accession_date 2011-07-07 _Entry.Last_release_date 2012-05-09 _Entry.Original_release_date 2012-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Benjamin Chagot . . . 17768 2 Isabelle Auzat . . . 17768 3 Matthieu Gallopin . . . 17768 4 Isabelle Petitpas . . . 17768 5 Bernard Gilquin . . . 17768 6 Paulo Tavares . . . 17768 7 Sophie Zinn-Justin . . . 17768 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 'not applicable' 'not applicable' . 17768 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bacteriophage . 17768 gp17 . 17768 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17768 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 17768 '15N chemical shifts' 102 17768 '1H chemical shifts' 708 17768 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 . . 2012-05-09 2011-07-07 original author . 17768 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1z1z . 17768 PDB 2gjv . 17768 PDB 2l25 . 17768 PDB 2LFP 'BMRB Entry Tracking System' 17768 PDB 3fz2 . 17768 PDB 3fzb . 17768 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17768 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22072538 _Citation.Full_citation . _Citation.Title 'Solution structure of gp17 from the Siphoviridae bacteriophage SPP1: insights into its role in virion assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 80 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 319 _Citation.Page_last 326 _Citation.Year 2012 _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 Benjamin Chagot . . . 17768 1 2 Isabelle Auzat . . . 17768 1 3 Matthieu Gallopin . . . 17768 1 4 Isabelle Petitpas . . . 17768 1 5 Bernard Gilquin . . . 17768 1 6 Paulo Tavares . . . 17768 1 7 Sophie Zinn-Justin . . . 17768 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17768 _Assembly.ID 1 _Assembly.Name gp17 _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 gp17 1 $gp17 A . yes native no no . . . 17768 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gp17 _Entity.Sf_category entity _Entity.Sf_framecode gp17 _Entity.Entry_ID 17768 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gp17 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QGLQTWKLASRALQKATVEN LESYQPLMEMVNQVTESPGK DDPYPYVVIGDQSSTPFETK SSFGENITMDFHVWGGTTRA EAQDISSRVLEALTYKPLMF EGFTFVAKKLVLAQVITDTD GVTKHGIIKVRFTINNNTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'First four residues (QGLQ) and the two last (TG) are cloning artefacts' _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15478.582 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LFP . "Structure Of Bacteriophage Spp1 Gp17 Protein" . . . . . 100.00 139 100.00 100.00 2.52e-97 . . . . 17768 1 2 no PDB 5A20 . "Structure Of Bacteriophage Spp1 Head-to-tail Interface Filled With Dna And Tape Measure Protein" . . . . . 95.68 134 100.00 100.00 8.91e-93 . . . . 17768 1 3 no PDB 5A21 . "Structure Of Bacteriophage Spp1 Head-to-tail Interface Without Dna And Tape Measure Protein" . . . . . 95.68 134 100.00 100.00 8.91e-93 . . . . 17768 1 4 no EMBL CAA66549 . "unnamed protein product [Bacillus phage SPP1]" . . . . . 95.68 134 100.00 100.00 8.91e-93 . . . . 17768 1 5 no REF NP_690679 . "hypothetical protein SPP1p028 [Bacillus phage SPP1]" . . . . . 95.68 134 100.00 100.00 8.91e-93 . . . . 17768 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 . GLN . 17768 1 2 . GLY . 17768 1 3 . LEU . 17768 1 4 . GLN . 17768 1 5 . THR . 17768 1 6 3 TRP . 17768 1 7 4 LYS . 17768 1 8 5 LEU . 17768 1 9 6 ALA . 17768 1 10 7 SER . 17768 1 11 8 ARG . 17768 1 12 9 ALA . 17768 1 13 10 LEU . 17768 1 14 11 GLN . 17768 1 15 12 LYS . 17768 1 16 13 ALA . 17768 1 17 14 THR . 17768 1 18 15 VAL . 17768 1 19 16 GLU . 17768 1 20 17 ASN . 17768 1 21 18 LEU . 17768 1 22 19 GLU . 17768 1 23 20 SER . 17768 1 24 21 TYR . 17768 1 25 22 GLN . 17768 1 26 23 PRO . 17768 1 27 24 LEU . 17768 1 28 25 MET . 17768 1 29 26 GLU . 17768 1 30 27 MET . 17768 1 31 28 VAL . 17768 1 32 29 ASN . 17768 1 33 30 GLN . 17768 1 34 31 VAL . 17768 1 35 32 THR . 17768 1 36 33 GLU . 17768 1 37 34 SER . 17768 1 38 35 PRO . 17768 1 39 36 GLY . 17768 1 40 37 LYS . 17768 1 41 38 ASP . 17768 1 42 39 ASP . 17768 1 43 40 PRO . 17768 1 44 41 TYR . 17768 1 45 42 PRO . 17768 1 46 43 TYR . 17768 1 47 44 VAL . 17768 1 48 45 VAL . 17768 1 49 46 ILE . 17768 1 50 47 GLY . 17768 1 51 48 ASP . 17768 1 52 49 GLN . 17768 1 53 50 SER . 17768 1 54 51 SER . 17768 1 55 52 THR . 17768 1 56 53 PRO . 17768 1 57 54 PHE . 17768 1 58 55 GLU . 17768 1 59 56 THR . 17768 1 60 57 LYS . 17768 1 61 58 SER . 17768 1 62 59 SER . 17768 1 63 60 PHE . 17768 1 64 61 GLY . 17768 1 65 62 GLU . 17768 1 66 63 ASN . 17768 1 67 64 ILE . 17768 1 68 65 THR . 17768 1 69 66 MET . 17768 1 70 67 ASP . 17768 1 71 68 PHE . 17768 1 72 69 HIS . 17768 1 73 70 VAL . 17768 1 74 71 TRP . 17768 1 75 72 GLY . 17768 1 76 73 GLY . 17768 1 77 74 THR . 17768 1 78 75 THR . 17768 1 79 76 ARG . 17768 1 80 77 ALA . 17768 1 81 78 GLU . 17768 1 82 79 ALA . 17768 1 83 80 GLN . 17768 1 84 81 ASP . 17768 1 85 82 ILE . 17768 1 86 83 SER . 17768 1 87 84 SER . 17768 1 88 85 ARG . 17768 1 89 86 VAL . 17768 1 90 87 LEU . 17768 1 91 88 GLU . 17768 1 92 89 ALA . 17768 1 93 90 LEU . 17768 1 94 91 THR . 17768 1 95 92 TYR . 17768 1 96 93 LYS . 17768 1 97 94 PRO . 17768 1 98 95 LEU . 17768 1 99 96 MET . 17768 1 100 97 PHE . 17768 1 101 98 GLU . 17768 1 102 99 GLY . 17768 1 103 100 PHE . 17768 1 104 101 THR . 17768 1 105 102 PHE . 17768 1 106 103 VAL . 17768 1 107 104 ALA . 17768 1 108 105 LYS . 17768 1 109 106 LYS . 17768 1 110 107 LEU . 17768 1 111 108 VAL . 17768 1 112 109 LEU . 17768 1 113 110 ALA . 17768 1 114 111 GLN . 17768 1 115 112 VAL . 17768 1 116 113 ILE . 17768 1 117 114 THR . 17768 1 118 115 ASP . 17768 1 119 116 THR . 17768 1 120 117 ASP . 17768 1 121 118 GLY . 17768 1 122 119 VAL . 17768 1 123 120 THR . 17768 1 124 121 LYS . 17768 1 125 122 HIS . 17768 1 126 123 GLY . 17768 1 127 124 ILE . 17768 1 128 125 ILE . 17768 1 129 126 LYS . 17768 1 130 127 VAL . 17768 1 131 128 ARG . 17768 1 132 129 PHE . 17768 1 133 130 THR . 17768 1 134 131 ILE . 17768 1 135 132 ASN . 17768 1 136 133 ASN . 17768 1 137 134 ASN . 17768 1 138 135 THR . 17768 1 139 136 GLY . 17768 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 . GLN 1 1 17768 1 . GLY 2 2 17768 1 . LEU 3 3 17768 1 . GLN 4 4 17768 1 . THR 5 5 17768 1 . TRP 6 6 17768 1 . LYS 7 7 17768 1 . LEU 8 8 17768 1 . ALA 9 9 17768 1 . SER 10 10 17768 1 . ARG 11 11 17768 1 . ALA 12 12 17768 1 . LEU 13 13 17768 1 . GLN 14 14 17768 1 . LYS 15 15 17768 1 . ALA 16 16 17768 1 . THR 17 17 17768 1 . VAL 18 18 17768 1 . GLU 19 19 17768 1 . ASN 20 20 17768 1 . LEU 21 21 17768 1 . GLU 22 22 17768 1 . SER 23 23 17768 1 . TYR 24 24 17768 1 . GLN 25 25 17768 1 . PRO 26 26 17768 1 . LEU 27 27 17768 1 . MET 28 28 17768 1 . GLU 29 29 17768 1 . MET 30 30 17768 1 . VAL 31 31 17768 1 . ASN 32 32 17768 1 . GLN 33 33 17768 1 . VAL 34 34 17768 1 . THR 35 35 17768 1 . GLU 36 36 17768 1 . SER 37 37 17768 1 . PRO 38 38 17768 1 . GLY 39 39 17768 1 . LYS 40 40 17768 1 . ASP 41 41 17768 1 . ASP 42 42 17768 1 . PRO 43 43 17768 1 . TYR 44 44 17768 1 . PRO 45 45 17768 1 . TYR 46 46 17768 1 . VAL 47 47 17768 1 . VAL 48 48 17768 1 . ILE 49 49 17768 1 . GLY 50 50 17768 1 . ASP 51 51 17768 1 . GLN 52 52 17768 1 . SER 53 53 17768 1 . SER 54 54 17768 1 . THR 55 55 17768 1 . PRO 56 56 17768 1 . PHE 57 57 17768 1 . GLU 58 58 17768 1 . THR 59 59 17768 1 . LYS 60 60 17768 1 . SER 61 61 17768 1 . SER 62 62 17768 1 . PHE 63 63 17768 1 . GLY 64 64 17768 1 . GLU 65 65 17768 1 . ASN 66 66 17768 1 . ILE 67 67 17768 1 . THR 68 68 17768 1 . MET 69 69 17768 1 . ASP 70 70 17768 1 . PHE 71 71 17768 1 . HIS 72 72 17768 1 . VAL 73 73 17768 1 . TRP 74 74 17768 1 . GLY 75 75 17768 1 . GLY 76 76 17768 1 . THR 77 77 17768 1 . THR 78 78 17768 1 . ARG 79 79 17768 1 . ALA 80 80 17768 1 . GLU 81 81 17768 1 . ALA 82 82 17768 1 . GLN 83 83 17768 1 . ASP 84 84 17768 1 . ILE 85 85 17768 1 . SER 86 86 17768 1 . SER 87 87 17768 1 . ARG 88 88 17768 1 . VAL 89 89 17768 1 . LEU 90 90 17768 1 . GLU 91 91 17768 1 . ALA 92 92 17768 1 . LEU 93 93 17768 1 . THR 94 94 17768 1 . TYR 95 95 17768 1 . LYS 96 96 17768 1 . PRO 97 97 17768 1 . LEU 98 98 17768 1 . MET 99 99 17768 1 . PHE 100 100 17768 1 . GLU 101 101 17768 1 . GLY 102 102 17768 1 . PHE 103 103 17768 1 . THR 104 104 17768 1 . PHE 105 105 17768 1 . VAL 106 106 17768 1 . ALA 107 107 17768 1 . LYS 108 108 17768 1 . LYS 109 109 17768 1 . LEU 110 110 17768 1 . VAL 111 111 17768 1 . LEU 112 112 17768 1 . ALA 113 113 17768 1 . GLN 114 114 17768 1 . VAL 115 115 17768 1 . ILE 116 116 17768 1 . THR 117 117 17768 1 . ASP 118 118 17768 1 . THR 119 119 17768 1 . ASP 120 120 17768 1 . GLY 121 121 17768 1 . VAL 122 122 17768 1 . THR 123 123 17768 1 . LYS 124 124 17768 1 . HIS 125 125 17768 1 . GLY 126 126 17768 1 . ILE 127 127 17768 1 . ILE 128 128 17768 1 . LYS 129 129 17768 1 . VAL 130 130 17768 1 . ARG 131 131 17768 1 . PHE 132 132 17768 1 . THR 133 133 17768 1 . ILE 134 134 17768 1 . ASN 135 135 17768 1 . ASN 136 136 17768 1 . ASN 137 137 17768 1 . THR 138 138 17768 1 . GLY 139 139 17768 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 17768 _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 $gp17 . 10724 organism . 'Bacteriophage SPP1' 'Bacteriophage SPP1' . . Viruses . 'Lambda-like viruses' 'Bacteriophage SPP1' . . . . . . . . . . . . . . . . . . . . . 17768 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 17768 _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 $gp17 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . N/A . . . . . . 17768 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17768 _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 gp17 '[U-100% 13C; U-100% 15N]' . . 1 $gp17 . . 0.3 . . mM . . . . 17768 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17768 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17768 1 4 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17768 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17768 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17768 _Sample.ID 2 _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 gp17 'natural abundance' . . 1 $gp17 . . 0.3 . . mM . . . . 17768 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17768 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17768 2 4 MES 'natural abundance' . . . . . . 50 . . mM . . . . 17768 2 5 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 17768 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17768 _Sample.ID 3 _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 gp17 '[U-100% 13C; U-100% 15N]' . . 1 $gp17 . . 0.6 . . mM . . . . 17768 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17768 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17768 3 4 MES 'natural abundance' . . . . . . 50 . . mM . . . . 17768 3 5 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 17768 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17768 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 50 mM Tris, pH 7.5 50 mM NaCl ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 17768 1 pH 7.5 . pH 17768 1 pressure 1 . atm 17768 1 temperature 298 . K 17768 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17768 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; 50 mM MES, pH 6.0 500 mM NaCl ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 17768 2 pH 6.0 . pH 17768 2 pressure 1 . atm 17768 2 temperature 298 . K 17768 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17768 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17768 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17768 1 processing 17768 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17768 _Software.ID 2 _Software.Name SPARKY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17768 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17768 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17768 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details 'coupled with in-a-house INCA routine' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17768 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17768 3 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 17768 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17768 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17768 _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 AMX . 700 . . . 17768 1 2 spectrometer_2 Bruker AMX . 600 . . . 17768 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 17768 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17768 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17768 1 13 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17768 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17768 1 15 'T1 relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17768 1 16 'T2 relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17768 1 17 'heteronuclear NOE' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17768 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17768 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 na indirect 0.251449530 . . . . . . . . . 17768 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 17768 1 N 15 water protons . . . . ppm 4.7 na indirect 0.101329118 . . . . . . . . . 17768 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17768 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17768 1 2 '3D CBCA(CO)NH' . . . 17768 1 3 '3D HNCO' . . . 17768 1 4 '3D HNCA' . . . 17768 1 5 '3D HCCH-TOCSY' . . . 17768 1 9 '3D HCCH-COSY' . . . 17768 1 10 '3D HN(CA)CO' . . . 17768 1 11 '3D HBHA(CO)NH' . . . 17768 1 12 '2D 1H-1H TOCSY' . . . 17768 1 13 '2D 1H-1H COSY' . . . 17768 1 14 '2D 1H-1H NOESY' . . . 17768 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 TRP HA H 1 4.240 0.040 . 1 . . . A 3 TRP HA . 17768 1 2 . 1 1 6 6 TRP HB2 H 1 3.200 0.040 . 1 . . . A 3 TRP HB2 . 17768 1 3 . 1 1 6 6 TRP HB3 H 1 3.200 0.040 . 1 . . . A 3 TRP HB3 . 17768 1 4 . 1 1 6 6 TRP HD1 H 1 7.160 0.040 . 1 . . . A 3 TRP HD1 . 17768 1 5 . 1 1 6 6 TRP HE1 H 1 10.060 0.040 . 1 . . . A 3 TRP HE1 . 17768 1 6 . 1 1 6 6 TRP HE3 H 1 7.340 0.040 . 1 . . . A 3 TRP HE3 . 17768 1 7 . 1 1 6 6 TRP HZ2 H 1 7.360 0.040 . 1 . . . A 3 TRP HZ2 . 17768 1 8 . 1 1 6 6 TRP HZ3 H 1 6.950 0.040 . 1 . . . A 3 TRP HZ3 . 17768 1 9 . 1 1 6 6 TRP HH2 H 1 7.070 0.040 . 1 . . . A 3 TRP HH2 . 17768 1 10 . 1 1 6 6 TRP CB C 13 29.900 0.200 . 1 . . . A 3 TRP CB . 17768 1 11 . 1 1 6 6 TRP CE3 C 13 120.000 0.200 . 1 . . . A 3 TRP CE3 . 17768 1 12 . 1 1 6 6 TRP CZ2 C 13 114.100 0.200 . 1 . . . A 3 TRP CZ2 . 17768 1 13 . 1 1 6 6 TRP CZ3 C 13 121.100 0.200 . 1 . . . A 3 TRP CZ3 . 17768 1 14 . 1 1 6 6 TRP CH2 C 13 123.900 0.200 . 1 . . . A 3 TRP CH2 . 17768 1 15 . 1 1 6 6 TRP NE1 N 15 129.000 0.200 . 1 . . . A 3 TRP NE1 . 17768 1 16 . 1 1 8 8 LEU HB2 H 1 1.700 0.040 . 1 . . . A 5 LEU HB2 . 17768 1 17 . 1 1 8 8 LEU HB3 H 1 1.700 0.040 . 1 . . . A 5 LEU HB3 . 17768 1 18 . 1 1 8 8 LEU CA C 13 57.800 0.200 . 1 . . . A 5 LEU CA . 17768 1 19 . 1 1 8 8 LEU CB C 13 39.700 0.200 . 1 . . . A 5 LEU CB . 17768 1 20 . 1 1 9 9 ALA H H 1 8.150 0.040 . 1 . . . A 6 ALA H . 17768 1 21 . 1 1 9 9 ALA HA H 1 2.980 0.040 . 1 . . . A 6 ALA HA . 17768 1 22 . 1 1 9 9 ALA HB1 H 1 1.100 0.040 . 1 . . . A 6 ALA HB1 . 17768 1 23 . 1 1 9 9 ALA HB2 H 1 1.100 0.040 . 1 . . . A 6 ALA HB2 . 17768 1 24 . 1 1 9 9 ALA HB3 H 1 1.100 0.040 . 1 . . . A 6 ALA HB3 . 17768 1 25 . 1 1 9 9 ALA CA C 13 54.700 0.200 . 1 . . . A 6 ALA CA . 17768 1 26 . 1 1 9 9 ALA CB C 13 18.800 0.200 . 1 . . . A 6 ALA CB . 17768 1 27 . 1 1 9 9 ALA N N 15 122.500 0.200 . 1 . . . A 6 ALA N . 17768 1 28 . 1 1 10 10 SER H H 1 7.910 0.040 . 1 . . . A 7 SER H . 17768 1 29 . 1 1 10 10 SER HA H 1 3.660 0.040 . 1 . . . A 7 SER HA . 17768 1 30 . 1 1 10 10 SER HB2 H 1 3.380 0.040 . 1 . . . A 7 SER HB2 . 17768 1 31 . 1 1 10 10 SER HB3 H 1 3.380 0.040 . 1 . . . A 7 SER HB3 . 17768 1 32 . 1 1 10 10 SER CA C 13 62.300 0.200 . 1 . . . A 7 SER CA . 17768 1 33 . 1 1 10 10 SER N N 15 112.300 0.200 . 1 . . . A 7 SER N . 17768 1 34 . 1 1 11 11 ARG H H 1 7.390 0.040 . 1 . . . A 8 ARG H . 17768 1 35 . 1 1 11 11 ARG HA H 1 3.950 0.040 . 1 . . . A 8 ARG HA . 17768 1 36 . 1 1 11 11 ARG HB2 H 1 1.760 0.040 . 1 . . . A 8 ARG HB2 . 17768 1 37 . 1 1 11 11 ARG HB3 H 1 1.760 0.040 . 1 . . . A 8 ARG HB3 . 17768 1 38 . 1 1 11 11 ARG HG2 H 1 1.450 0.040 . 2 . . . A 8 ARG HG2 . 17768 1 39 . 1 1 11 11 ARG HG3 H 1 1.570 0.040 . 2 . . . A 8 ARG HG3 . 17768 1 40 . 1 1 11 11 ARG HD2 H 1 3.130 0.040 . 1 . . . A 8 ARG HD2 . 17768 1 41 . 1 1 11 11 ARG HD3 H 1 3.130 0.040 . 1 . . . A 8 ARG HD3 . 17768 1 42 . 1 1 11 11 ARG CA C 13 58.600 0.200 . 1 . . . A 8 ARG CA . 17768 1 43 . 1 1 11 11 ARG CB C 13 29.800 0.200 . 1 . . . A 8 ARG CB . 17768 1 44 . 1 1 11 11 ARG N N 15 122.300 0.200 . 1 . . . A 8 ARG N . 17768 1 45 . 1 1 12 12 ALA H H 1 7.720 0.040 . 1 . . . A 9 ALA H . 17768 1 46 . 1 1 12 12 ALA HA H 1 3.870 0.040 . 1 . . . A 9 ALA HA . 17768 1 47 . 1 1 12 12 ALA HB1 H 1 1.630 0.040 . 1 . . . A 9 ALA HB1 . 17768 1 48 . 1 1 12 12 ALA HB2 H 1 1.630 0.040 . 1 . . . A 9 ALA HB2 . 17768 1 49 . 1 1 12 12 ALA HB3 H 1 1.630 0.040 . 1 . . . A 9 ALA HB3 . 17768 1 50 . 1 1 12 12 ALA CA C 13 55.000 0.200 . 1 . . . A 9 ALA CA . 17768 1 51 . 1 1 12 12 ALA CB C 13 19.200 0.200 . 1 . . . A 9 ALA CB . 17768 1 52 . 1 1 12 12 ALA N N 15 121.500 0.200 . 1 . . . A 9 ALA N . 17768 1 53 . 1 1 13 13 LEU H H 1 7.940 0.040 . 1 . . . A 10 LEU H . 17768 1 54 . 1 1 13 13 LEU HA H 1 2.910 0.040 . 1 . . . A 10 LEU HA . 17768 1 55 . 1 1 13 13 LEU HB2 H 1 0.050 0.040 . 2 . . . A 10 LEU HB2 . 17768 1 56 . 1 1 13 13 LEU HB3 H 1 1.100 0.040 . 2 . . . A 10 LEU HB3 . 17768 1 57 . 1 1 13 13 LEU HG H 1 0.690 0.040 . 1 . . . A 10 LEU HG . 17768 1 58 . 1 1 13 13 LEU HD11 H 1 -0.860 0.040 . 2 . . . A 10 LEU HD11 . 17768 1 59 . 1 1 13 13 LEU HD12 H 1 -0.860 0.040 . 2 . . . A 10 LEU HD12 . 17768 1 60 . 1 1 13 13 LEU HD13 H 1 -0.860 0.040 . 2 . . . A 10 LEU HD13 . 17768 1 61 . 1 1 13 13 LEU HD21 H 1 0.090 0.040 . 2 . . . A 10 LEU HD21 . 17768 1 62 . 1 1 13 13 LEU HD22 H 1 0.090 0.040 . 2 . . . A 10 LEU HD22 . 17768 1 63 . 1 1 13 13 LEU HD23 H 1 0.090 0.040 . 2 . . . A 10 LEU HD23 . 17768 1 64 . 1 1 13 13 LEU CA C 13 57.600 0.200 . 1 . . . A 10 LEU CA . 17768 1 65 . 1 1 13 13 LEU CB C 13 40.000 0.200 . 1 . . . A 10 LEU CB . 17768 1 66 . 1 1 13 13 LEU CD1 C 13 21.300 0.200 . 2 . . . A 10 LEU CD1 . 17768 1 67 . 1 1 13 13 LEU CD2 C 13 27.100 0.200 . 2 . . . A 10 LEU CD2 . 17768 1 68 . 1 1 13 13 LEU N N 15 119.000 0.200 . 1 . . . A 10 LEU N . 17768 1 69 . 1 1 14 14 GLN H H 1 7.390 0.040 . 1 . . . A 11 GLN H . 17768 1 70 . 1 1 14 14 GLN HA H 1 3.350 0.040 . 1 . . . A 11 GLN HA . 17768 1 71 . 1 1 14 14 GLN HB2 H 1 1.930 0.040 . 2 . . . A 11 GLN HB2 . 17768 1 72 . 1 1 14 14 GLN HB3 H 1 2.060 0.040 . 2 . . . A 11 GLN HB3 . 17768 1 73 . 1 1 14 14 GLN HG2 H 1 2.180 0.040 . 1 . . . A 11 GLN HG2 . 17768 1 74 . 1 1 14 14 GLN HG3 H 1 2.180 0.040 . 1 . . . A 11 GLN HG3 . 17768 1 75 . 1 1 14 14 GLN CA C 13 60.700 0.200 . 1 . . . A 11 GLN CA . 17768 1 76 . 1 1 14 14 GLN CB C 13 28.000 0.200 . 1 . . . A 11 GLN CB . 17768 1 77 . 1 1 14 14 GLN CG C 13 37.030 0.200 . 1 . . . A 11 GLN CG . 17768 1 78 . 1 1 14 14 GLN N N 15 119.300 0.200 . 1 . . . A 11 GLN N . 17768 1 79 . 1 1 15 15 LYS H H 1 7.470 0.040 . 1 . . . A 12 LYS H . 17768 1 80 . 1 1 15 15 LYS HA H 1 3.620 0.040 . 1 . . . A 12 LYS HA . 17768 1 81 . 1 1 15 15 LYS HB2 H 1 1.050 0.040 . 2 . . . A 12 LYS HB2 . 17768 1 82 . 1 1 15 15 LYS HB3 H 1 0.880 0.040 . 2 . . . A 12 LYS HB3 . 17768 1 83 . 1 1 15 15 LYS HG2 H 1 1.310 0.040 . 2 . . . A 12 LYS HG2 . 17768 1 84 . 1 1 15 15 LYS HG3 H 1 1.230 0.040 . 2 . . . A 12 LYS HG3 . 17768 1 85 . 1 1 15 15 LYS HD2 H 1 2.760 0.040 . 2 . . . A 12 LYS HD2 . 17768 1 86 . 1 1 15 15 LYS HD3 H 1 2.690 0.040 . 2 . . . A 12 LYS HD3 . 17768 1 87 . 1 1 15 15 LYS CA C 13 58.300 0.200 . 1 . . . A 12 LYS CA . 17768 1 88 . 1 1 15 15 LYS CB C 13 31.800 0.200 . 1 . . . A 12 LYS CB . 17768 1 89 . 1 1 15 15 LYS CG C 13 28.900 0.200 . 1 . . . A 12 LYS CG . 17768 1 90 . 1 1 15 15 LYS CD C 13 42.700 0.200 . 1 . . . A 12 LYS CD . 17768 1 91 . 1 1 15 15 LYS N N 15 116.200 0.200 . 1 . . . A 12 LYS N . 17768 1 92 . 1 1 16 16 ALA H H 1 8.560 0.040 . 1 . . . A 13 ALA H . 17768 1 93 . 1 1 16 16 ALA HA H 1 4.170 0.040 . 1 . . . A 13 ALA HA . 17768 1 94 . 1 1 16 16 ALA HB1 H 1 1.330 0.040 . 1 . . . A 13 ALA HB1 . 17768 1 95 . 1 1 16 16 ALA HB2 H 1 1.330 0.040 . 1 . . . A 13 ALA HB2 . 17768 1 96 . 1 1 16 16 ALA HB3 H 1 1.330 0.040 . 1 . . . A 13 ALA HB3 . 17768 1 97 . 1 1 16 16 ALA CA C 13 55.400 0.200 . 1 . . . A 13 ALA CA . 17768 1 98 . 1 1 16 16 ALA CB C 13 19.600 0.200 . 1 . . . A 13 ALA CB . 17768 1 99 . 1 1 16 16 ALA N N 15 121.700 0.200 . 1 . . . A 13 ALA N . 17768 1 100 . 1 1 17 17 THR H H 1 8.210 0.040 . 1 . . . A 14 THR H . 17768 1 101 . 1 1 17 17 THR HA H 1 3.650 0.040 . 1 . . . A 14 THR HA . 17768 1 102 . 1 1 17 17 THR HB H 1 3.950 0.040 . 1 . . . A 14 THR HB . 17768 1 103 . 1 1 17 17 THR HG21 H 1 1.120 0.040 . 1 . . . A 14 THR HG21 . 17768 1 104 . 1 1 17 17 THR HG22 H 1 1.120 0.040 . 1 . . . A 14 THR HG22 . 17768 1 105 . 1 1 17 17 THR HG23 H 1 1.120 0.040 . 1 . . . A 14 THR HG23 . 17768 1 106 . 1 1 17 17 THR CA C 13 66.500 0.200 . 1 . . . A 14 THR CA . 17768 1 107 . 1 1 17 17 THR CB C 13 69.300 0.200 . 1 . . . A 14 THR CB . 17768 1 108 . 1 1 17 17 THR CG2 C 13 24.300 0.200 . 1 . . . A 14 THR CG2 . 17768 1 109 . 1 1 17 17 THR N N 15 108.700 0.200 . 1 . . . A 14 THR N . 17768 1 110 . 1 1 18 18 VAL H H 1 7.570 0.040 . 1 . . . A 15 VAL H . 17768 1 111 . 1 1 18 18 VAL HA H 1 3.400 0.040 . 1 . . . A 15 VAL HA . 17768 1 112 . 1 1 18 18 VAL HB H 1 1.990 0.040 . 1 . . . A 15 VAL HB . 17768 1 113 . 1 1 18 18 VAL HG11 H 1 0.830 0.040 . 2 . . . A 15 VAL HG11 . 17768 1 114 . 1 1 18 18 VAL HG12 H 1 0.830 0.040 . 2 . . . A 15 VAL HG12 . 17768 1 115 . 1 1 18 18 VAL HG13 H 1 0.830 0.040 . 2 . . . A 15 VAL HG13 . 17768 1 116 . 1 1 18 18 VAL HG21 H 1 0.970 0.040 . 2 . . . A 15 VAL HG21 . 17768 1 117 . 1 1 18 18 VAL HG22 H 1 0.970 0.040 . 2 . . . A 15 VAL HG22 . 17768 1 118 . 1 1 18 18 VAL HG23 H 1 0.970 0.040 . 2 . . . A 15 VAL HG23 . 17768 1 119 . 1 1 18 18 VAL CA C 13 68.400 0.200 . 1 . . . A 15 VAL CA . 17768 1 120 . 1 1 18 18 VAL CB C 13 31.500 0.200 . 1 . . . A 15 VAL CB . 17768 1 121 . 1 1 18 18 VAL CG1 C 13 21.800 0.200 . 2 . . . A 15 VAL CG1 . 17768 1 122 . 1 1 18 18 VAL CG2 C 13 24.290 0.200 . 2 . . . A 15 VAL CG2 . 17768 1 123 . 1 1 18 18 VAL N N 15 122.600 0.200 . 1 . . . A 15 VAL N . 17768 1 124 . 1 1 19 19 GLU H H 1 7.560 0.040 . 1 . . . A 16 GLU H . 17768 1 125 . 1 1 19 19 GLU HA H 1 4.170 0.040 . 1 . . . A 16 GLU HA . 17768 1 126 . 1 1 19 19 GLU HB2 H 1 2.240 0.040 . 2 . . . A 16 GLU HB2 . 17768 1 127 . 1 1 19 19 GLU HB3 H 1 2.190 0.040 . 2 . . . A 16 GLU HB3 . 17768 1 128 . 1 1 19 19 GLU HG2 H 1 2.440 0.040 . 2 . . . A 16 GLU HG2 . 17768 1 129 . 1 1 19 19 GLU HG3 H 1 2.320 0.040 . 2 . . . A 16 GLU HG3 . 17768 1 130 . 1 1 19 19 GLU CA C 13 59.700 0.200 . 1 . . . A 16 GLU CA . 17768 1 131 . 1 1 19 19 GLU CB C 13 29.200 0.200 . 1 . . . A 16 GLU CB . 17768 1 132 . 1 1 19 19 GLU CG C 13 37.130 0.200 . 1 . . . A 16 GLU CG . 17768 1 133 . 1 1 19 19 GLU N N 15 117.400 0.200 . 1 . . . A 16 GLU N . 17768 1 134 . 1 1 20 20 ASN H H 1 8.150 0.040 . 1 . . . A 17 ASN H . 17768 1 135 . 1 1 20 20 ASN HA H 1 4.230 0.040 . 1 . . . A 17 ASN HA . 17768 1 136 . 1 1 20 20 ASN HB2 H 1 2.660 0.040 . 2 . . . A 17 ASN HB2 . 17768 1 137 . 1 1 20 20 ASN HB3 H 1 2.980 0.040 . 2 . . . A 17 ASN HB3 . 17768 1 138 . 1 1 20 20 ASN CA C 13 57.200 0.200 . 1 . . . A 17 ASN CA . 17768 1 139 . 1 1 20 20 ASN CB C 13 37.900 0.200 . 1 . . . A 17 ASN CB . 17768 1 140 . 1 1 20 20 ASN N N 15 120.900 0.200 . 1 . . . A 17 ASN N . 17768 1 141 . 1 1 21 21 LEU H H 1 8.500 0.040 . 1 . . . A 18 LEU H . 17768 1 142 . 1 1 21 21 LEU HA H 1 3.920 0.040 . 1 . . . A 18 LEU HA . 17768 1 143 . 1 1 21 21 LEU HB2 H 1 1.720 0.040 . 2 . . . A 18 LEU HB2 . 17768 1 144 . 1 1 21 21 LEU HB3 H 1 1.920 0.040 . 2 . . . A 18 LEU HB3 . 17768 1 145 . 1 1 21 21 LEU HG H 1 1.480 0.040 . 1 . . . A 18 LEU HG . 17768 1 146 . 1 1 21 21 LEU HD11 H 1 1.000 0.040 . 2 . . . A 18 LEU HD11 . 17768 1 147 . 1 1 21 21 LEU HD12 H 1 1.000 0.040 . 2 . . . A 18 LEU HD12 . 17768 1 148 . 1 1 21 21 LEU HD13 H 1 1.000 0.040 . 2 . . . A 18 LEU HD13 . 17768 1 149 . 1 1 21 21 LEU HD21 H 1 0.780 0.040 . 2 . . . A 18 LEU HD21 . 17768 1 150 . 1 1 21 21 LEU HD22 H 1 0.780 0.040 . 2 . . . A 18 LEU HD22 . 17768 1 151 . 1 1 21 21 LEU HD23 H 1 0.780 0.040 . 2 . . . A 18 LEU HD23 . 17768 1 152 . 1 1 21 21 LEU CA C 13 60.100 0.200 . 1 . . . A 18 LEU CA . 17768 1 153 . 1 1 21 21 LEU CB C 13 42.600 0.200 . 1 . . . A 18 LEU CB . 17768 1 154 . 1 1 21 21 LEU N N 15 119.500 0.200 . 1 . . . A 18 LEU N . 17768 1 155 . 1 1 22 22 GLU H H 1 8.450 0.040 . 1 . . . A 19 GLU H . 17768 1 156 . 1 1 22 22 GLU HA H 1 4.600 0.040 . 1 . . . A 19 GLU HA . 17768 1 157 . 1 1 22 22 GLU HB2 H 1 1.930 0.040 . 2 . . . A 19 GLU HB2 . 17768 1 158 . 1 1 22 22 GLU HB3 H 1 2.130 0.040 . 2 . . . A 19 GLU HB3 . 17768 1 159 . 1 1 22 22 GLU HG2 H 1 2.530 0.040 . 2 . . . A 19 GLU HG2 . 17768 1 160 . 1 1 22 22 GLU HG3 H 1 2.210 0.040 . 2 . . . A 19 GLU HG3 . 17768 1 161 . 1 1 22 22 GLU CA C 13 58.700 0.200 . 1 . . . A 19 GLU CA . 17768 1 162 . 1 1 22 22 GLU CB C 13 30.200 0.200 . 1 . . . A 19 GLU CB . 17768 1 163 . 1 1 22 22 GLU N N 15 112.100 0.200 . 1 . . . A 19 GLU N . 17768 1 164 . 1 1 23 23 SER H H 1 7.570 0.040 . 1 . . . A 20 SER H . 17768 1 165 . 1 1 23 23 SER HA H 1 4.490 0.040 . 1 . . . A 20 SER HA . 17768 1 166 . 1 1 23 23 SER HB2 H 1 4.190 0.040 . 2 . . . A 20 SER HB2 . 17768 1 167 . 1 1 23 23 SER HB3 H 1 4.120 0.040 . 2 . . . A 20 SER HB3 . 17768 1 168 . 1 1 23 23 SER CA C 13 58.600 0.200 . 1 . . . A 20 SER CA . 17768 1 169 . 1 1 23 23 SER N N 15 110.300 0.200 . 1 . . . A 20 SER N . 17768 1 170 . 1 1 24 24 TYR H H 1 7.560 0.040 . 1 . . . A 21 TYR H . 17768 1 171 . 1 1 24 24 TYR HA H 1 4.580 0.040 . 1 . . . A 21 TYR HA . 17768 1 172 . 1 1 24 24 TYR HB2 H 1 2.980 0.040 . 2 . . . A 21 TYR HB2 . 17768 1 173 . 1 1 24 24 TYR HB3 H 1 3.160 0.040 . 2 . . . A 21 TYR HB3 . 17768 1 174 . 1 1 24 24 TYR HD1 H 1 6.400 0.040 . 3 . . . A 21 TYR HD1 . 17768 1 175 . 1 1 24 24 TYR HD2 H 1 6.400 0.040 . 3 . . . A 21 TYR HD2 . 17768 1 176 . 1 1 24 24 TYR HE1 H 1 6.490 0.040 . 3 . . . A 21 TYR HE1 . 17768 1 177 . 1 1 24 24 TYR HE2 H 1 6.490 0.040 . 3 . . . A 21 TYR HE2 . 17768 1 178 . 1 1 24 24 TYR CA C 13 57.700 0.200 . 1 . . . A 21 TYR CA . 17768 1 179 . 1 1 24 24 TYR CB C 13 37.400 0.200 . 1 . . . A 21 TYR CB . 17768 1 180 . 1 1 24 24 TYR CE1 C 13 117.820 0.200 . 3 . . . A 21 TYR CE1 . 17768 1 181 . 1 1 24 24 TYR CE2 C 13 117.820 0.200 . 3 . . . A 21 TYR CE2 . 17768 1 182 . 1 1 24 24 TYR N N 15 125.300 0.200 . 1 . . . A 21 TYR N . 17768 1 183 . 1 1 25 25 GLN H H 1 8.710 0.040 . 1 . . . A 22 GLN H . 17768 1 184 . 1 1 25 25 GLN HA H 1 3.850 0.040 . 1 . . . A 22 GLN HA . 17768 1 185 . 1 1 25 25 GLN HB2 H 1 1.920 0.040 . 1 . . . A 22 GLN HB2 . 17768 1 186 . 1 1 25 25 GLN HB3 H 1 1.920 0.040 . 1 . . . A 22 GLN HB3 . 17768 1 187 . 1 1 25 25 GLN HG2 H 1 2.270 0.040 . 2 . . . A 22 GLN HG2 . 17768 1 188 . 1 1 25 25 GLN HG3 H 1 2.350 0.040 . 2 . . . A 22 GLN HG3 . 17768 1 189 . 1 1 25 25 GLN HE21 H 1 7.480 0.040 . 1 . . . A 22 GLN HE21 . 17768 1 190 . 1 1 25 25 GLN HE22 H 1 6.730 0.040 . 1 . . . A 22 GLN HE22 . 17768 1 191 . 1 1 25 25 GLN CA C 13 60.800 0.200 . 1 . . . A 22 GLN CA . 17768 1 192 . 1 1 25 25 GLN CB C 13 26.300 0.200 . 1 . . . A 22 GLN CB . 17768 1 193 . 1 1 25 25 GLN CG C 13 31.320 0.200 . 1 . . . A 22 GLN CG . 17768 1 194 . 1 1 25 25 GLN N N 15 130.000 0.200 . 1 . . . A 22 GLN N . 17768 1 195 . 1 1 26 26 PRO HA H 1 4.010 0.040 . 1 . . . A 23 PRO HA . 17768 1 196 . 1 1 26 26 PRO HD2 H 1 3.030 0.040 . 2 . . . A 23 PRO HD2 . 17768 1 197 . 1 1 26 26 PRO HD3 H 1 3.160 0.040 . 2 . . . A 23 PRO HD3 . 17768 1 198 . 1 1 27 27 LEU H H 1 6.720 0.040 . 1 . . . A 24 LEU H . 17768 1 199 . 1 1 27 27 LEU HA H 1 4.210 0.040 . 1 . . . A 24 LEU HA . 17768 1 200 . 1 1 27 27 LEU HB2 H 1 1.430 0.040 . 2 . . . A 24 LEU HB2 . 17768 1 201 . 1 1 27 27 LEU HB3 H 1 2.400 0.040 . 2 . . . A 24 LEU HB3 . 17768 1 202 . 1 1 27 27 LEU HG H 1 1.500 0.040 . 1 . . . A 24 LEU HG . 17768 1 203 . 1 1 27 27 LEU HD11 H 1 0.860 0.040 . 2 . . . A 24 LEU HD11 . 17768 1 204 . 1 1 27 27 LEU HD12 H 1 0.860 0.040 . 2 . . . A 24 LEU HD12 . 17768 1 205 . 1 1 27 27 LEU HD13 H 1 0.860 0.040 . 2 . . . A 24 LEU HD13 . 17768 1 206 . 1 1 27 27 LEU HD21 H 1 0.970 0.040 . 2 . . . A 24 LEU HD21 . 17768 1 207 . 1 1 27 27 LEU HD22 H 1 0.970 0.040 . 2 . . . A 24 LEU HD22 . 17768 1 208 . 1 1 27 27 LEU HD23 H 1 0.970 0.040 . 2 . . . A 24 LEU HD23 . 17768 1 209 . 1 1 27 27 LEU CA C 13 57.300 0.200 . 1 . . . A 24 LEU CA . 17768 1 210 . 1 1 27 27 LEU CB C 13 43.100 0.200 . 1 . . . A 24 LEU CB . 17768 1 211 . 1 1 27 27 LEU N N 15 112.400 0.200 . 1 . . . A 24 LEU N . 17768 1 212 . 1 1 28 28 MET H H 1 7.620 0.040 . 1 . . . A 25 MET H . 17768 1 213 . 1 1 28 28 MET HA H 1 4.510 0.040 . 1 . . . A 25 MET HA . 17768 1 214 . 1 1 28 28 MET HB2 H 1 2.060 0.040 . 2 . . . A 25 MET HB2 . 17768 1 215 . 1 1 28 28 MET HB3 H 1 1.840 0.040 . 2 . . . A 25 MET HB3 . 17768 1 216 . 1 1 28 28 MET HG2 H 1 2.810 0.040 . 2 . . . A 25 MET HG2 . 17768 1 217 . 1 1 28 28 MET HG3 H 1 2.480 0.040 . 2 . . . A 25 MET HG3 . 17768 1 218 . 1 1 28 28 MET CA C 13 55.900 0.200 . 1 . . . A 25 MET CA . 17768 1 219 . 1 1 28 28 MET CB C 13 29.100 0.200 . 1 . . . A 25 MET CB . 17768 1 220 . 1 1 28 28 MET CG C 13 31.750 0.200 . 1 . . . A 25 MET CG . 17768 1 221 . 1 1 28 28 MET N N 15 116.900 0.200 . 1 . . . A 25 MET N . 17768 1 222 . 1 1 29 29 GLU H H 1 8.060 0.040 . 1 . . . A 26 GLU H . 17768 1 223 . 1 1 29 29 GLU HA H 1 4.140 0.040 . 1 . . . A 26 GLU HA . 17768 1 224 . 1 1 29 29 GLU HB2 H 1 1.880 0.040 . 1 . . . A 26 GLU HB2 . 17768 1 225 . 1 1 29 29 GLU HB3 H 1 1.880 0.040 . 1 . . . A 26 GLU HB3 . 17768 1 226 . 1 1 29 29 GLU HG2 H 1 2.210 0.040 . 1 . . . A 26 GLU HG2 . 17768 1 227 . 1 1 29 29 GLU HG3 H 1 2.210 0.040 . 1 . . . A 26 GLU HG3 . 17768 1 228 . 1 1 29 29 GLU CA C 13 58.400 0.200 . 1 . . . A 26 GLU CA . 17768 1 229 . 1 1 29 29 GLU CB C 13 30.300 0.200 . 1 . . . A 26 GLU CB . 17768 1 230 . 1 1 29 29 GLU N N 15 116.100 0.200 . 1 . . . A 26 GLU N . 17768 1 231 . 1 1 30 30 MET H H 1 7.920 0.040 . 1 . . . A 27 MET H . 17768 1 232 . 1 1 30 30 MET HA H 1 4.450 0.040 . 1 . . . A 27 MET HA . 17768 1 233 . 1 1 30 30 MET HB2 H 1 2.120 0.040 . 1 . . . A 27 MET HB2 . 17768 1 234 . 1 1 30 30 MET HB3 H 1 2.120 0.040 . 1 . . . A 27 MET HB3 . 17768 1 235 . 1 1 30 30 MET HG2 H 1 2.710 0.040 . 2 . . . A 27 MET HG2 . 17768 1 236 . 1 1 30 30 MET HG3 H 1 2.420 0.040 . 2 . . . A 27 MET HG3 . 17768 1 237 . 1 1 30 30 MET CA C 13 57.000 0.200 . 1 . . . A 27 MET CA . 17768 1 238 . 1 1 30 30 MET CB C 13 36.500 0.200 . 1 . . . A 27 MET CB . 17768 1 239 . 1 1 30 30 MET N N 15 115.100 0.200 . 1 . . . A 27 MET N . 17768 1 240 . 1 1 31 31 VAL H H 1 7.180 0.040 . 1 . . . A 28 VAL H . 17768 1 241 . 1 1 31 31 VAL HA H 1 4.710 0.040 . 1 . . . A 28 VAL HA . 17768 1 242 . 1 1 31 31 VAL HB H 1 2.200 0.040 . 1 . . . A 28 VAL HB . 17768 1 243 . 1 1 31 31 VAL HG11 H 1 0.760 0.040 . 2 . . . A 28 VAL HG11 . 17768 1 244 . 1 1 31 31 VAL HG12 H 1 0.760 0.040 . 2 . . . A 28 VAL HG12 . 17768 1 245 . 1 1 31 31 VAL HG13 H 1 0.760 0.040 . 2 . . . A 28 VAL HG13 . 17768 1 246 . 1 1 31 31 VAL HG21 H 1 0.850 0.040 . 2 . . . A 28 VAL HG21 . 17768 1 247 . 1 1 31 31 VAL HG22 H 1 0.850 0.040 . 2 . . . A 28 VAL HG22 . 17768 1 248 . 1 1 31 31 VAL HG23 H 1 0.850 0.040 . 2 . . . A 28 VAL HG23 . 17768 1 249 . 1 1 31 31 VAL CA C 13 58.600 0.200 . 1 . . . A 28 VAL CA . 17768 1 250 . 1 1 31 31 VAL CB C 13 36.500 0.200 . 1 . . . A 28 VAL CB . 17768 1 251 . 1 1 31 31 VAL N N 15 107.100 0.200 . 1 . . . A 28 VAL N . 17768 1 252 . 1 1 32 32 ASN H H 1 8.670 0.040 . 1 . . . A 29 ASN H . 17768 1 253 . 1 1 32 32 ASN HA H 1 4.700 0.040 . 1 . . . A 29 ASN HA . 17768 1 254 . 1 1 32 32 ASN HB2 H 1 2.940 0.040 . 2 . . . A 29 ASN HB2 . 17768 1 255 . 1 1 32 32 ASN HB3 H 1 3.020 0.040 . 2 . . . A 29 ASN HB3 . 17768 1 256 . 1 1 32 32 ASN CA C 13 55.800 0.200 . 1 . . . A 29 ASN CA . 17768 1 257 . 1 1 32 32 ASN CB C 13 40.400 0.200 . 1 . . . A 29 ASN CB . 17768 1 258 . 1 1 32 32 ASN N N 15 115.300 0.200 . 1 . . . A 29 ASN N . 17768 1 259 . 1 1 33 33 GLN H H 1 7.190 0.040 . 1 . . . A 30 GLN H . 17768 1 260 . 1 1 33 33 GLN HA H 1 4.620 0.040 . 1 . . . A 30 GLN HA . 17768 1 261 . 1 1 33 33 GLN HB2 H 1 1.910 0.040 . 1 . . . A 30 GLN HB2 . 17768 1 262 . 1 1 33 33 GLN HB3 H 1 1.910 0.040 . 1 . . . A 30 GLN HB3 . 17768 1 263 . 1 1 33 33 GLN HG2 H 1 2.300 0.040 . 1 . . . A 30 GLN HG2 . 17768 1 264 . 1 1 33 33 GLN HG3 H 1 2.300 0.040 . 1 . . . A 30 GLN HG3 . 17768 1 265 . 1 1 33 33 GLN CA C 13 55.600 0.200 . 1 . . . A 30 GLN CA . 17768 1 266 . 1 1 33 33 GLN CB C 13 30.400 0.200 . 1 . . . A 30 GLN CB . 17768 1 267 . 1 1 33 33 GLN N N 15 108.900 0.200 . 1 . . . A 30 GLN N . 17768 1 268 . 1 1 34 34 VAL H H 1 8.860 0.040 . 1 . . . A 31 VAL H . 17768 1 269 . 1 1 34 34 VAL HA H 1 4.910 0.040 . 1 . . . A 31 VAL HA . 17768 1 270 . 1 1 34 34 VAL HB H 1 2.050 0.040 . 1 . . . A 31 VAL HB . 17768 1 271 . 1 1 34 34 VAL HG11 H 1 0.920 0.040 . 1 . . . A 31 VAL HG11 . 17768 1 272 . 1 1 34 34 VAL HG12 H 1 0.920 0.040 . 1 . . . A 31 VAL HG12 . 17768 1 273 . 1 1 34 34 VAL HG13 H 1 0.920 0.040 . 1 . . . A 31 VAL HG13 . 17768 1 274 . 1 1 34 34 VAL HG21 H 1 0.920 0.040 . 1 . . . A 31 VAL HG21 . 17768 1 275 . 1 1 34 34 VAL HG22 H 1 0.920 0.040 . 1 . . . A 31 VAL HG22 . 17768 1 276 . 1 1 34 34 VAL HG23 H 1 0.920 0.040 . 1 . . . A 31 VAL HG23 . 17768 1 277 . 1 1 34 34 VAL CA C 13 62.600 0.200 . 1 . . . A 31 VAL CA . 17768 1 278 . 1 1 34 34 VAL CB C 13 33.800 0.200 . 1 . . . A 31 VAL CB . 17768 1 279 . 1 1 34 34 VAL N N 15 122.000 0.200 . 1 . . . A 31 VAL N . 17768 1 280 . 1 1 35 35 THR H H 1 8.910 0.040 . 1 . . . A 32 THR H . 17768 1 281 . 1 1 35 35 THR HA H 1 4.900 0.040 . 1 . . . A 32 THR HA . 17768 1 282 . 1 1 35 35 THR HB H 1 3.820 0.040 . 1 . . . A 32 THR HB . 17768 1 283 . 1 1 35 35 THR HG21 H 1 0.680 0.040 . 1 . . . A 32 THR HG21 . 17768 1 284 . 1 1 35 35 THR HG22 H 1 0.680 0.040 . 1 . . . A 32 THR HG22 . 17768 1 285 . 1 1 35 35 THR HG23 H 1 0.680 0.040 . 1 . . . A 32 THR HG23 . 17768 1 286 . 1 1 35 35 THR CA C 13 59.100 0.200 . 1 . . . A 32 THR CA . 17768 1 287 . 1 1 35 35 THR CB C 13 70.100 0.200 . 1 . . . A 32 THR CB . 17768 1 288 . 1 1 35 35 THR CG2 C 13 20.000 0.200 . 1 . . . A 32 THR CG2 . 17768 1 289 . 1 1 35 35 THR N N 15 119.200 0.200 . 1 . . . A 32 THR N . 17768 1 290 . 1 1 36 36 GLU H H 1 8.200 0.040 . 1 . . . A 33 GLU H . 17768 1 291 . 1 1 38 38 PRO HA H 1 4.120 0.040 . 1 . . . A 35 PRO HA . 17768 1 292 . 1 1 39 39 GLY H H 1 8.570 0.040 . 1 . . . A 36 GLY H . 17768 1 293 . 1 1 39 39 GLY HA2 H 1 4.100 0.040 . 2 . . . A 36 GLY HA2 . 17768 1 294 . 1 1 39 39 GLY HA3 H 1 3.510 0.040 . 2 . . . A 36 GLY HA3 . 17768 1 295 . 1 1 39 39 GLY CA C 13 44.700 0.200 . 1 . . . A 36 GLY CA . 17768 1 296 . 1 1 39 39 GLY N N 15 111.100 0.200 . 1 . . . A 36 GLY N . 17768 1 297 . 1 1 40 40 LYS H H 1 7.070 0.040 . 1 . . . A 37 LYS H . 17768 1 298 . 1 1 40 40 LYS HA H 1 3.820 0.040 . 1 . . . A 37 LYS HA . 17768 1 299 . 1 1 40 40 LYS HB2 H 1 1.670 0.040 . 2 . . . A 37 LYS HB2 . 17768 1 300 . 1 1 40 40 LYS HB3 H 1 1.600 0.040 . 2 . . . A 37 LYS HB3 . 17768 1 301 . 1 1 40 40 LYS HG2 H 1 1.270 0.040 . 1 . . . A 37 LYS HG2 . 17768 1 302 . 1 1 40 40 LYS HG3 H 1 1.270 0.040 . 1 . . . A 37 LYS HG3 . 17768 1 303 . 1 1 40 40 LYS HD2 H 1 1.540 0.040 . 2 . . . A 37 LYS HD2 . 17768 1 304 . 1 1 40 40 LYS HD3 H 1 1.580 0.040 . 2 . . . A 37 LYS HD3 . 17768 1 305 . 1 1 40 40 LYS HE2 H 1 2.880 0.040 . 1 . . . A 37 LYS HE2 . 17768 1 306 . 1 1 40 40 LYS HE3 H 1 2.880 0.040 . 1 . . . A 37 LYS HE3 . 17768 1 307 . 1 1 40 40 LYS CA C 13 58.800 0.200 . 1 . . . A 37 LYS CA . 17768 1 308 . 1 1 40 40 LYS CB C 13 32.600 0.200 . 1 . . . A 37 LYS CB . 17768 1 309 . 1 1 41 41 ASP H H 1 8.250 0.040 . 1 . . . A 38 ASP H . 17768 1 310 . 1 1 41 41 ASP HA H 1 4.570 0.040 . 1 . . . A 38 ASP HA . 17768 1 311 . 1 1 41 41 ASP HB2 H 1 2.420 0.040 . 2 . . . A 38 ASP HB2 . 17768 1 312 . 1 1 41 41 ASP HB3 H 1 2.680 0.040 . 2 . . . A 38 ASP HB3 . 17768 1 313 . 1 1 41 41 ASP CA C 13 53.500 0.200 . 1 . . . A 38 ASP CA . 17768 1 314 . 1 1 41 41 ASP CB C 13 40.800 0.200 . 1 . . . A 38 ASP CB . 17768 1 315 . 1 1 41 41 ASP N N 15 116.100 0.200 . 1 . . . A 38 ASP N . 17768 1 316 . 1 1 42 42 ASP H H 1 7.070 0.040 . 1 . . . A 39 ASP H . 17768 1 317 . 1 1 42 42 ASP HA H 1 4.450 0.040 . 1 . . . A 39 ASP HA . 17768 1 318 . 1 1 42 42 ASP HB2 H 1 2.410 0.040 . 2 . . . A 39 ASP HB2 . 17768 1 319 . 1 1 42 42 ASP HB3 H 1 2.110 0.040 . 2 . . . A 39 ASP HB3 . 17768 1 320 . 1 1 42 42 ASP CA C 13 53.500 0.200 . 1 . . . A 39 ASP CA . 17768 1 321 . 1 1 42 42 ASP CB C 13 39.300 0.200 . 1 . . . A 39 ASP CB . 17768 1 322 . 1 1 42 42 ASP N N 15 123.300 0.200 . 1 . . . A 39 ASP N . 17768 1 323 . 1 1 43 43 PRO HA H 1 4.300 0.040 . 1 . . . A 40 PRO HA . 17768 1 324 . 1 1 43 43 PRO HB2 H 1 1.880 0.040 . 2 . . . A 40 PRO HB2 . 17768 1 325 . 1 1 43 43 PRO HB3 H 1 2.140 0.040 . 2 . . . A 40 PRO HB3 . 17768 1 326 . 1 1 43 43 PRO HG2 H 1 2.010 0.040 . 1 . . . A 40 PRO HG2 . 17768 1 327 . 1 1 43 43 PRO HG3 H 1 2.010 0.040 . 1 . . . A 40 PRO HG3 . 17768 1 328 . 1 1 43 43 PRO HD2 H 1 3.610 0.040 . 2 . . . A 40 PRO HD2 . 17768 1 329 . 1 1 43 43 PRO HD3 H 1 3.710 0.040 . 2 . . . A 40 PRO HD3 . 17768 1 330 . 1 1 43 43 PRO CA C 13 62.500 0.200 . 1 . . . A 40 PRO CA . 17768 1 331 . 1 1 43 43 PRO CB C 13 32.100 0.200 . 1 . . . A 40 PRO CB . 17768 1 332 . 1 1 43 43 PRO CD C 13 51.300 0.200 . 1 . . . A 40 PRO CD . 17768 1 333 . 1 1 44 44 TYR H H 1 8.200 0.040 . 1 . . . A 41 TYR H . 17768 1 334 . 1 1 44 44 TYR HA H 1 4.600 0.040 . 1 . . . A 41 TYR HA . 17768 1 335 . 1 1 44 44 TYR HB2 H 1 3.150 0.040 . 2 . . . A 41 TYR HB2 . 17768 1 336 . 1 1 44 44 TYR HB3 H 1 2.750 0.040 . 2 . . . A 41 TYR HB3 . 17768 1 337 . 1 1 44 44 TYR HD1 H 1 6.800 0.040 . 3 . . . A 41 TYR HD1 . 17768 1 338 . 1 1 44 44 TYR HD2 H 1 6.800 0.040 . 3 . . . A 41 TYR HD2 . 17768 1 339 . 1 1 44 44 TYR HE1 H 1 6.600 0.040 . 3 . . . A 41 TYR HE1 . 17768 1 340 . 1 1 44 44 TYR HE2 H 1 6.600 0.040 . 3 . . . A 41 TYR HE2 . 17768 1 341 . 1 1 44 44 TYR CA C 13 55.100 0.200 . 1 . . . A 41 TYR CA . 17768 1 342 . 1 1 44 44 TYR CB C 13 37.500 0.200 . 1 . . . A 41 TYR CB . 17768 1 343 . 1 1 44 44 TYR CD1 C 13 132.200 0.200 . 3 . . . A 41 TYR CD1 . 17768 1 344 . 1 1 44 44 TYR CD2 C 13 132.200 0.200 . 3 . . . A 41 TYR CD2 . 17768 1 345 . 1 1 44 44 TYR CE1 C 13 118.100 0.200 . 3 . . . A 41 TYR CE1 . 17768 1 346 . 1 1 44 44 TYR CE2 C 13 118.100 0.200 . 3 . . . A 41 TYR CE2 . 17768 1 347 . 1 1 44 44 TYR N N 15 122.700 0.200 . 1 . . . A 41 TYR N . 17768 1 348 . 1 1 45 45 PRO HA H 1 5.600 0.040 . 1 . . . A 42 PRO HA . 17768 1 349 . 1 1 45 45 PRO HB2 H 1 2.020 0.040 . 1 . . . A 42 PRO HB2 . 17768 1 350 . 1 1 45 45 PRO HB3 H 1 2.020 0.040 . 1 . . . A 42 PRO HB3 . 17768 1 351 . 1 1 45 45 PRO HG2 H 1 1.920 0.040 . 1 . . . A 42 PRO HG2 . 17768 1 352 . 1 1 45 45 PRO HG3 H 1 1.920 0.040 . 1 . . . A 42 PRO HG3 . 17768 1 353 . 1 1 45 45 PRO CA C 13 62.500 0.200 . 1 . . . A 42 PRO CA . 17768 1 354 . 1 1 45 45 PRO CB C 13 36.100 0.200 . 1 . . . A 42 PRO CB . 17768 1 355 . 1 1 46 46 TYR H H 1 8.640 0.040 . 1 . . . A 43 TYR H . 17768 1 356 . 1 1 46 46 TYR HA H 1 5.160 0.040 . 1 . . . A 43 TYR HA . 17768 1 357 . 1 1 46 46 TYR HB2 H 1 3.210 0.040 . 2 . . . A 43 TYR HB2 . 17768 1 358 . 1 1 46 46 TYR HB3 H 1 3.520 0.040 . 2 . . . A 43 TYR HB3 . 17768 1 359 . 1 1 46 46 TYR HD1 H 1 6.990 0.040 . 3 . . . A 43 TYR HD1 . 17768 1 360 . 1 1 46 46 TYR HD2 H 1 6.990 0.040 . 3 . . . A 43 TYR HD2 . 17768 1 361 . 1 1 46 46 TYR HE1 H 1 6.280 0.040 . 3 . . . A 43 TYR HE1 . 17768 1 362 . 1 1 46 46 TYR HE2 H 1 6.280 0.040 . 3 . . . A 43 TYR HE2 . 17768 1 363 . 1 1 46 46 TYR CA C 13 57.700 0.200 . 1 . . . A 43 TYR CA . 17768 1 364 . 1 1 46 46 TYR CB C 13 40.900 0.200 . 1 . . . A 43 TYR CB . 17768 1 365 . 1 1 46 46 TYR CD1 C 13 133.100 0.200 . 3 . . . A 43 TYR CD1 . 17768 1 366 . 1 1 46 46 TYR CD2 C 13 133.100 0.200 . 3 . . . A 43 TYR CD2 . 17768 1 367 . 1 1 46 46 TYR CE1 C 13 118.000 0.200 . 3 . . . A 43 TYR CE1 . 17768 1 368 . 1 1 46 46 TYR CE2 C 13 118.000 0.200 . 3 . . . A 43 TYR CE2 . 17768 1 369 . 1 1 46 46 TYR N N 15 113.000 0.200 . 1 . . . A 43 TYR N . 17768 1 370 . 1 1 47 47 VAL H H 1 8.210 0.040 . 1 . . . A 44 VAL H . 17768 1 371 . 1 1 47 47 VAL HA H 1 5.500 0.040 . 1 . . . A 44 VAL HA . 17768 1 372 . 1 1 47 47 VAL HB H 1 2.120 0.040 . 1 . . . A 44 VAL HB . 17768 1 373 . 1 1 47 47 VAL HG11 H 1 1.020 0.040 . 2 . . . A 44 VAL HG11 . 17768 1 374 . 1 1 47 47 VAL HG12 H 1 1.020 0.040 . 2 . . . A 44 VAL HG12 . 17768 1 375 . 1 1 47 47 VAL HG13 H 1 1.020 0.040 . 2 . . . A 44 VAL HG13 . 17768 1 376 . 1 1 47 47 VAL HG21 H 1 1.070 0.040 . 2 . . . A 44 VAL HG21 . 17768 1 377 . 1 1 47 47 VAL HG22 H 1 1.070 0.040 . 2 . . . A 44 VAL HG22 . 17768 1 378 . 1 1 47 47 VAL HG23 H 1 1.070 0.040 . 2 . . . A 44 VAL HG23 . 17768 1 379 . 1 1 47 47 VAL CA C 13 60.800 0.200 . 1 . . . A 44 VAL CA . 17768 1 380 . 1 1 47 47 VAL CB C 13 35.300 0.200 . 1 . . . A 44 VAL CB . 17768 1 381 . 1 1 47 47 VAL CG1 C 13 21.300 0.200 . 1 . . . A 44 VAL CG1 . 17768 1 382 . 1 1 47 47 VAL CG2 C 13 21.300 0.200 . 1 . . . A 44 VAL CG2 . 17768 1 383 . 1 1 47 47 VAL N N 15 118.300 0.200 . 1 . . . A 44 VAL N . 17768 1 384 . 1 1 48 48 VAL H H 1 9.960 0.040 . 1 . . . A 45 VAL H . 17768 1 385 . 1 1 48 48 VAL HA H 1 5.510 0.040 . 1 . . . A 45 VAL HA . 17768 1 386 . 1 1 48 48 VAL HB H 1 2.230 0.040 . 1 . . . A 45 VAL HB . 17768 1 387 . 1 1 48 48 VAL HG11 H 1 1.170 0.040 . 2 . . . A 45 VAL HG11 . 17768 1 388 . 1 1 48 48 VAL HG12 H 1 1.170 0.040 . 2 . . . A 45 VAL HG12 . 17768 1 389 . 1 1 48 48 VAL HG13 H 1 1.170 0.040 . 2 . . . A 45 VAL HG13 . 17768 1 390 . 1 1 48 48 VAL HG21 H 1 0.950 0.040 . 2 . . . A 45 VAL HG21 . 17768 1 391 . 1 1 48 48 VAL HG22 H 1 0.950 0.040 . 2 . . . A 45 VAL HG22 . 17768 1 392 . 1 1 48 48 VAL HG23 H 1 0.950 0.040 . 2 . . . A 45 VAL HG23 . 17768 1 393 . 1 1 48 48 VAL CA C 13 59.700 0.200 . 1 . . . A 45 VAL CA . 17768 1 394 . 1 1 48 48 VAL CB C 13 35.300 0.200 . 1 . . . A 45 VAL CB . 17768 1 395 . 1 1 48 48 VAL CG1 C 13 23.800 0.200 . 2 . . . A 45 VAL CG1 . 17768 1 396 . 1 1 48 48 VAL CG2 C 13 21.800 0.200 . 2 . . . A 45 VAL CG2 . 17768 1 397 . 1 1 48 48 VAL N N 15 127.100 0.200 . 1 . . . A 45 VAL N . 17768 1 398 . 1 1 49 49 ILE H H 1 8.160 0.040 . 1 . . . A 46 ILE H . 17768 1 399 . 1 1 49 49 ILE HA H 1 3.990 0.040 . 1 . . . A 46 ILE HA . 17768 1 400 . 1 1 49 49 ILE HB H 1 1.740 0.040 . 1 . . . A 46 ILE HB . 17768 1 401 . 1 1 49 49 ILE HG12 H 1 1.160 0.040 . 1 . . . A 46 ILE HG12 . 17768 1 402 . 1 1 49 49 ILE HG13 H 1 1.160 0.040 . 1 . . . A 46 ILE HG13 . 17768 1 403 . 1 1 49 49 ILE HG21 H 1 0.830 0.040 . 1 . . . A 46 ILE HG21 . 17768 1 404 . 1 1 49 49 ILE HG22 H 1 0.830 0.040 . 1 . . . A 46 ILE HG22 . 17768 1 405 . 1 1 49 49 ILE HG23 H 1 0.830 0.040 . 1 . . . A 46 ILE HG23 . 17768 1 406 . 1 1 49 49 ILE CA C 13 60.900 0.200 . 1 . . . A 46 ILE CA . 17768 1 407 . 1 1 49 49 ILE CB C 13 38.200 0.200 . 1 . . . A 46 ILE CB . 17768 1 408 . 1 1 49 49 ILE CG2 C 13 19.040 0.200 . 1 . . . A 46 ILE CG2 . 17768 1 409 . 1 1 49 49 ILE N N 15 126.500 0.200 . 1 . . . A 46 ILE N . 17768 1 410 . 1 1 50 50 GLY H H 1 8.100 0.040 . 1 . . . A 47 GLY H . 17768 1 411 . 1 1 50 50 GLY HA2 H 1 3.640 0.040 . 2 . . . A 47 GLY HA2 . 17768 1 412 . 1 1 50 50 GLY HA3 H 1 4.400 0.040 . 2 . . . A 47 GLY HA3 . 17768 1 413 . 1 1 50 50 GLY CA C 13 44.900 0.200 . 1 . . . A 47 GLY CA . 17768 1 414 . 1 1 50 50 GLY N N 15 116.200 0.200 . 1 . . . A 47 GLY N . 17768 1 415 . 1 1 51 51 ASP H H 1 8.150 0.040 . 1 . . . A 48 ASP H . 17768 1 416 . 1 1 51 51 ASP HA H 1 4.490 0.040 . 1 . . . A 48 ASP HA . 17768 1 417 . 1 1 51 51 ASP HB2 H 1 2.540 0.040 . 2 . . . A 48 ASP HB2 . 17768 1 418 . 1 1 51 51 ASP HB3 H 1 2.640 0.040 . 2 . . . A 48 ASP HB3 . 17768 1 419 . 1 1 51 51 ASP CA C 13 54.900 0.200 . 1 . . . A 48 ASP CA . 17768 1 420 . 1 1 51 51 ASP CB C 13 42.500 0.200 . 1 . . . A 48 ASP CB . 17768 1 421 . 1 1 51 51 ASP N N 15 118.000 0.200 . 1 . . . A 48 ASP N . 17768 1 422 . 1 1 52 52 GLN H H 1 8.400 0.040 . 1 . . . A 49 GLN H . 17768 1 423 . 1 1 52 52 GLN HA H 1 4.910 0.040 . 1 . . . A 49 GLN HA . 17768 1 424 . 1 1 52 52 GLN HB2 H 1 2.070 0.040 . 2 . . . A 49 GLN HB2 . 17768 1 425 . 1 1 52 52 GLN HB3 H 1 2.100 0.040 . 2 . . . A 49 GLN HB3 . 17768 1 426 . 1 1 52 52 GLN HG2 H 1 1.750 0.040 . 2 . . . A 49 GLN HG2 . 17768 1 427 . 1 1 52 52 GLN HG3 H 1 1.840 0.040 . 2 . . . A 49 GLN HG3 . 17768 1 428 . 1 1 52 52 GLN CA C 13 55.000 0.200 . 1 . . . A 49 GLN CA . 17768 1 429 . 1 1 52 52 GLN CB C 13 31.100 0.200 . 1 . . . A 49 GLN CB . 17768 1 430 . 1 1 52 52 GLN CG C 13 33.600 0.200 . 1 . . . A 49 GLN CG . 17768 1 431 . 1 1 52 52 GLN N N 15 118.000 0.200 . 1 . . . A 49 GLN N . 17768 1 432 . 1 1 53 53 SER H H 1 8.770 0.040 . 1 . . . A 50 SER H . 17768 1 433 . 1 1 53 53 SER CA C 13 58.200 0.200 . 1 . . . A 50 SER CA . 17768 1 434 . 1 1 53 53 SER CB C 13 64.700 0.200 . 1 . . . A 50 SER CB . 17768 1 435 . 1 1 53 53 SER N N 15 115.900 0.200 . 1 . . . A 50 SER N . 17768 1 436 . 1 1 56 56 PRO HA H 1 4.300 0.040 . 1 . . . A 53 PRO HA . 17768 1 437 . 1 1 56 56 PRO HB2 H 1 1.800 0.040 . 1 . . . A 53 PRO HB2 . 17768 1 438 . 1 1 56 56 PRO HB3 H 1 1.800 0.040 . 1 . . . A 53 PRO HB3 . 17768 1 439 . 1 1 57 57 PHE H H 1 8.620 0.040 . 1 . . . A 54 PHE H . 17768 1 440 . 1 1 57 57 PHE HA H 1 4.860 0.040 . 1 . . . A 54 PHE HA . 17768 1 441 . 1 1 57 57 PHE HB2 H 1 2.630 0.040 . 2 . . . A 54 PHE HB2 . 17768 1 442 . 1 1 57 57 PHE HB3 H 1 2.550 0.040 . 2 . . . A 54 PHE HB3 . 17768 1 443 . 1 1 57 57 PHE HD1 H 1 6.800 0.040 . 3 . . . A 54 PHE HD1 . 17768 1 444 . 1 1 57 57 PHE HD2 H 1 6.800 0.040 . 3 . . . A 54 PHE HD2 . 17768 1 445 . 1 1 57 57 PHE HE1 H 1 7.090 0.040 . 3 . . . A 54 PHE HE1 . 17768 1 446 . 1 1 57 57 PHE HE2 H 1 7.090 0.040 . 3 . . . A 54 PHE HE2 . 17768 1 447 . 1 1 57 57 PHE CA C 13 53.100 0.200 . 1 . . . A 54 PHE CA . 17768 1 448 . 1 1 57 57 PHE CB C 13 40.400 0.200 . 1 . . . A 54 PHE CB . 17768 1 449 . 1 1 57 57 PHE CE1 C 13 132.000 0.200 . 3 . . . A 54 PHE CE1 . 17768 1 450 . 1 1 57 57 PHE CE2 C 13 132.000 0.200 . 3 . . . A 54 PHE CE2 . 17768 1 451 . 1 1 57 57 PHE N N 15 126.200 0.200 . 1 . . . A 54 PHE N . 17768 1 452 . 1 1 59 59 THR HA H 1 4.910 0.040 . 1 . . . A 56 THR HA . 17768 1 453 . 1 1 59 59 THR HB H 1 3.830 0.040 . 1 . . . A 56 THR HB . 17768 1 454 . 1 1 60 60 LYS H H 1 8.760 0.040 . 1 . . . A 57 LYS H . 17768 1 455 . 1 1 60 60 LYS HA H 1 4.670 0.040 . 1 . . . A 57 LYS HA . 17768 1 456 . 1 1 60 60 LYS HB2 H 1 2.050 0.040 . 2 . . . A 57 LYS HB2 . 17768 1 457 . 1 1 60 60 LYS HB3 H 1 1.890 0.040 . 2 . . . A 57 LYS HB3 . 17768 1 458 . 1 1 60 60 LYS CA C 13 56.900 0.200 . 1 . . . A 57 LYS CA . 17768 1 459 . 1 1 60 60 LYS CB C 13 31.400 0.200 . 1 . . . A 57 LYS CB . 17768 1 460 . 1 1 60 60 LYS N N 15 123.900 0.200 . 1 . . . A 57 LYS N . 17768 1 461 . 1 1 61 61 SER H H 1 8.400 0.040 . 1 . . . A 58 SER H . 17768 1 462 . 1 1 61 61 SER HA H 1 4.690 0.040 . 1 . . . A 58 SER HA . 17768 1 463 . 1 1 61 61 SER HB2 H 1 3.630 0.040 . 1 . . . A 58 SER HB2 . 17768 1 464 . 1 1 61 61 SER HB3 H 1 3.630 0.040 . 1 . . . A 58 SER HB3 . 17768 1 465 . 1 1 61 61 SER CA C 13 55.000 0.200 . 1 . . . A 58 SER CA . 17768 1 466 . 1 1 61 61 SER CB C 13 63.000 0.200 . 1 . . . A 58 SER CB . 17768 1 467 . 1 1 61 61 SER N N 15 113.900 0.200 . 1 . . . A 58 SER N . 17768 1 468 . 1 1 66 66 ASN H H 1 8.260 0.040 . 1 . . . A 63 ASN H . 17768 1 469 . 1 1 66 66 ASN HA H 1 5.660 0.040 . 1 . . . A 63 ASN HA . 17768 1 470 . 1 1 66 66 ASN HB2 H 1 2.620 0.040 . 2 . . . A 63 ASN HB2 . 17768 1 471 . 1 1 66 66 ASN HB3 H 1 2.520 0.040 . 2 . . . A 63 ASN HB3 . 17768 1 472 . 1 1 66 66 ASN CA C 13 53.100 0.200 . 1 . . . A 63 ASN CA . 17768 1 473 . 1 1 66 66 ASN CB C 13 41.400 0.200 . 1 . . . A 63 ASN CB . 17768 1 474 . 1 1 66 66 ASN N N 15 117.100 0.200 . 1 . . . A 63 ASN N . 17768 1 475 . 1 1 67 67 ILE H H 1 8.910 0.040 . 1 . . . A 64 ILE H . 17768 1 476 . 1 1 67 67 ILE HA H 1 4.620 0.040 . 1 . . . A 64 ILE HA . 17768 1 477 . 1 1 67 67 ILE HB H 1 1.570 0.040 . 1 . . . A 64 ILE HB . 17768 1 478 . 1 1 67 67 ILE HG12 H 1 0.950 0.040 . 2 . . . A 64 ILE HG12 . 17768 1 479 . 1 1 67 67 ILE HG13 H 1 1.600 0.040 . 2 . . . A 64 ILE HG13 . 17768 1 480 . 1 1 67 67 ILE HG21 H 1 0.770 0.040 . 1 . . . A 64 ILE HG21 . 17768 1 481 . 1 1 67 67 ILE HG22 H 1 0.770 0.040 . 1 . . . A 64 ILE HG22 . 17768 1 482 . 1 1 67 67 ILE HG23 H 1 0.770 0.040 . 1 . . . A 64 ILE HG23 . 17768 1 483 . 1 1 67 67 ILE HD11 H 1 0.550 0.040 . 1 . . . A 64 ILE HD11 . 17768 1 484 . 1 1 67 67 ILE HD12 H 1 0.550 0.040 . 1 . . . A 64 ILE HD12 . 17768 1 485 . 1 1 67 67 ILE HD13 H 1 0.550 0.040 . 1 . . . A 64 ILE HD13 . 17768 1 486 . 1 1 67 67 ILE CA C 13 61.300 0.200 . 1 . . . A 64 ILE CA . 17768 1 487 . 1 1 67 67 ILE CB C 13 43.200 0.200 . 1 . . . A 64 ILE CB . 17768 1 488 . 1 1 67 67 ILE CG1 C 13 28.320 0.200 . 1 . . . A 64 ILE CG1 . 17768 1 489 . 1 1 67 67 ILE CG2 C 13 14.870 0.200 . 1 . . . A 64 ILE CG2 . 17768 1 490 . 1 1 67 67 ILE N N 15 120.300 0.200 . 1 . . . A 64 ILE N . 17768 1 491 . 1 1 68 68 THR H H 1 8.940 0.040 . 1 . . . A 65 THR H . 17768 1 492 . 1 1 68 68 THR HA H 1 5.490 0.040 . 1 . . . A 65 THR HA . 17768 1 493 . 1 1 68 68 THR HB H 1 3.940 0.040 . 1 . . . A 65 THR HB . 17768 1 494 . 1 1 68 68 THR HG21 H 1 1.020 0.040 . 1 . . . A 65 THR HG21 . 17768 1 495 . 1 1 68 68 THR HG22 H 1 1.020 0.040 . 1 . . . A 65 THR HG22 . 17768 1 496 . 1 1 68 68 THR HG23 H 1 1.020 0.040 . 1 . . . A 65 THR HG23 . 17768 1 497 . 1 1 68 68 THR CA C 13 61.900 0.200 . 1 . . . A 65 THR CA . 17768 1 498 . 1 1 68 68 THR CB C 13 70.200 0.200 . 1 . . . A 65 THR CB . 17768 1 499 . 1 1 68 68 THR N N 15 124.100 0.200 . 1 . . . A 65 THR N . 17768 1 500 . 1 1 69 69 MET H H 1 9.200 0.040 . 1 . . . A 66 MET H . 17768 1 501 . 1 1 69 69 MET HA H 1 5.050 0.040 . 1 . . . A 66 MET HA . 17768 1 502 . 1 1 69 69 MET HB2 H 1 1.990 0.040 . 2 . . . A 66 MET HB2 . 17768 1 503 . 1 1 69 69 MET HB3 H 1 1.590 0.040 . 2 . . . A 66 MET HB3 . 17768 1 504 . 1 1 69 69 MET HE1 H 1 1.030 0.040 . 1 . . . A 66 MET HE1 . 17768 1 505 . 1 1 69 69 MET HE2 H 1 1.030 0.040 . 1 . . . A 66 MET HE2 . 17768 1 506 . 1 1 69 69 MET HE3 H 1 1.030 0.040 . 1 . . . A 66 MET HE3 . 17768 1 507 . 1 1 69 69 MET CA C 13 55.100 0.200 . 1 . . . A 66 MET CA . 17768 1 508 . 1 1 69 69 MET CB C 13 38.100 0.200 . 1 . . . A 66 MET CB . 17768 1 509 . 1 1 69 69 MET N N 15 126.700 0.200 . 1 . . . A 66 MET N . 17768 1 510 . 1 1 70 70 ASP H H 1 7.720 0.040 . 1 . . . A 67 ASP H . 17768 1 511 . 1 1 70 70 ASP HA H 1 5.410 0.040 . 1 . . . A 67 ASP HA . 17768 1 512 . 1 1 70 70 ASP HB2 H 1 2.540 0.040 . 2 . . . A 67 ASP HB2 . 17768 1 513 . 1 1 70 70 ASP HB3 H 1 2.080 0.040 . 2 . . . A 67 ASP HB3 . 17768 1 514 . 1 1 70 70 ASP CA C 13 53.000 0.200 . 1 . . . A 67 ASP CA . 17768 1 515 . 1 1 70 70 ASP CB C 13 43.500 0.200 . 1 . . . A 67 ASP CB . 17768 1 516 . 1 1 70 70 ASP N N 15 123.500 0.200 . 1 . . . A 67 ASP N . 17768 1 517 . 1 1 71 71 PHE H H 1 9.130 0.040 . 1 . . . A 68 PHE H . 17768 1 518 . 1 1 71 71 PHE HA H 1 4.830 0.040 . 1 . . . A 68 PHE HA . 17768 1 519 . 1 1 71 71 PHE HB2 H 1 2.620 0.040 . 2 . . . A 68 PHE HB2 . 17768 1 520 . 1 1 71 71 PHE HB3 H 1 2.880 0.040 . 2 . . . A 68 PHE HB3 . 17768 1 521 . 1 1 71 71 PHE HD1 H 1 7.070 0.040 . 3 . . . A 68 PHE HD1 . 17768 1 522 . 1 1 71 71 PHE HD2 H 1 7.070 0.040 . 3 . . . A 68 PHE HD2 . 17768 1 523 . 1 1 71 71 PHE HE1 H 1 7.150 0.040 . 3 . . . A 68 PHE HE1 . 17768 1 524 . 1 1 71 71 PHE HE2 H 1 7.150 0.040 . 3 . . . A 68 PHE HE2 . 17768 1 525 . 1 1 71 71 PHE HZ H 1 7.330 0.040 . 1 . . . A 68 PHE HZ . 17768 1 526 . 1 1 71 71 PHE CA C 13 57.000 0.200 . 1 . . . A 68 PHE CA . 17768 1 527 . 1 1 71 71 PHE CB C 13 43.000 0.200 . 1 . . . A 68 PHE CB . 17768 1 528 . 1 1 71 71 PHE CD1 C 13 131.530 0.200 . 3 . . . A 68 PHE CD1 . 17768 1 529 . 1 1 71 71 PHE CD2 C 13 131.530 0.200 . 3 . . . A 68 PHE CD2 . 17768 1 530 . 1 1 71 71 PHE CE1 C 13 129.900 0.200 . 3 . . . A 68 PHE CE1 . 17768 1 531 . 1 1 71 71 PHE CE2 C 13 129.900 0.200 . 3 . . . A 68 PHE CE2 . 17768 1 532 . 1 1 71 71 PHE CZ C 13 128.690 0.200 . 1 . . . A 68 PHE CZ . 17768 1 533 . 1 1 71 71 PHE N N 15 116.900 0.200 . 1 . . . A 68 PHE N . 17768 1 534 . 1 1 72 72 HIS H H 1 9.350 0.040 . 1 . . . A 69 HIS H . 17768 1 535 . 1 1 72 72 HIS HA H 1 5.430 0.040 . 1 . . . A 69 HIS HA . 17768 1 536 . 1 1 72 72 HIS HB2 H 1 2.860 0.040 . 2 . . . A 69 HIS HB2 . 17768 1 537 . 1 1 72 72 HIS HB3 H 1 3.290 0.040 . 2 . . . A 69 HIS HB3 . 17768 1 538 . 1 1 72 72 HIS HD2 H 1 6.630 0.040 . 1 . . . A 69 HIS HD2 . 17768 1 539 . 1 1 72 72 HIS HE1 H 1 7.890 0.040 . 1 . . . A 69 HIS HE1 . 17768 1 540 . 1 1 72 72 HIS CA C 13 55.200 0.200 . 1 . . . A 69 HIS CA . 17768 1 541 . 1 1 72 72 HIS CB C 13 35.100 0.200 . 1 . . . A 69 HIS CB . 17768 1 542 . 1 1 72 72 HIS N N 15 120.400 0.200 . 1 . . . A 69 HIS N . 17768 1 543 . 1 1 73 73 VAL H H 1 9.610 0.040 . 1 . . . A 70 VAL H . 17768 1 544 . 1 1 73 73 VAL HA H 1 4.440 0.040 . 1 . . . A 70 VAL HA . 17768 1 545 . 1 1 73 73 VAL HB H 1 1.730 0.040 . 1 . . . A 70 VAL HB . 17768 1 546 . 1 1 73 73 VAL HG11 H 1 0.840 0.040 . 2 . . . A 70 VAL HG11 . 17768 1 547 . 1 1 73 73 VAL HG12 H 1 0.840 0.040 . 2 . . . A 70 VAL HG12 . 17768 1 548 . 1 1 73 73 VAL HG13 H 1 0.840 0.040 . 2 . . . A 70 VAL HG13 . 17768 1 549 . 1 1 73 73 VAL HG21 H 1 0.800 0.040 . 2 . . . A 70 VAL HG21 . 17768 1 550 . 1 1 73 73 VAL HG22 H 1 0.800 0.040 . 2 . . . A 70 VAL HG22 . 17768 1 551 . 1 1 73 73 VAL HG23 H 1 0.800 0.040 . 2 . . . A 70 VAL HG23 . 17768 1 552 . 1 1 73 73 VAL CA C 13 62.000 0.200 . 1 . . . A 70 VAL CA . 17768 1 553 . 1 1 73 73 VAL CB C 13 34.300 0.200 . 1 . . . A 70 VAL CB . 17768 1 554 . 1 1 73 73 VAL N N 15 124.900 0.200 . 1 . . . A 70 VAL N . 17768 1 555 . 1 1 74 74 TRP H H 1 8.790 0.040 . 1 . . . A 71 TRP H . 17768 1 556 . 1 1 74 74 TRP HA H 1 4.940 0.040 . 1 . . . A 71 TRP HA . 17768 1 557 . 1 1 74 74 TRP HB2 H 1 2.540 0.040 . 2 . . . A 71 TRP HB2 . 17768 1 558 . 1 1 74 74 TRP HB3 H 1 2.040 0.040 . 2 . . . A 71 TRP HB3 . 17768 1 559 . 1 1 74 74 TRP HD1 H 1 6.800 0.040 . 1 . . . A 71 TRP HD1 . 17768 1 560 . 1 1 74 74 TRP HE1 H 1 9.910 0.040 . 1 . . . A 71 TRP HE1 . 17768 1 561 . 1 1 74 74 TRP HE3 H 1 7.100 0.040 . 1 . . . A 71 TRP HE3 . 17768 1 562 . 1 1 74 74 TRP HZ2 H 1 7.080 0.040 . 1 . . . A 71 TRP HZ2 . 17768 1 563 . 1 1 74 74 TRP HZ3 H 1 6.800 0.040 . 1 . . . A 71 TRP HZ3 . 17768 1 564 . 1 1 74 74 TRP HH2 H 1 6.810 0.040 . 1 . . . A 71 TRP HH2 . 17768 1 565 . 1 1 74 74 TRP CA C 13 55.800 0.200 . 1 . . . A 71 TRP CA . 17768 1 566 . 1 1 74 74 TRP CB C 13 31.000 0.200 . 1 . . . A 71 TRP CB . 17768 1 567 . 1 1 74 74 TRP CE3 C 13 119.000 0.200 . 1 . . . A 71 TRP CE3 . 17768 1 568 . 1 1 74 74 TRP CZ3 C 13 121.100 0.200 . 1 . . . A 71 TRP CZ3 . 17768 1 569 . 1 1 74 74 TRP CH2 C 13 124.100 0.200 . 1 . . . A 71 TRP CH2 . 17768 1 570 . 1 1 74 74 TRP N N 15 129.500 0.200 . 1 . . . A 71 TRP N . 17768 1 571 . 1 1 74 74 TRP NE1 N 15 127.100 0.200 . 1 . . . A 71 TRP NE1 . 17768 1 572 . 1 1 75 75 GLY HA2 H 1 3.910 0.040 . 1 . . . A 72 GLY HA2 . 17768 1 573 . 1 1 75 75 GLY HA3 H 1 3.910 0.040 . 1 . . . A 72 GLY HA3 . 17768 1 574 . 1 1 75 75 GLY CA C 13 44.400 0.200 . 1 . . . A 72 GLY CA . 17768 1 575 . 1 1 76 76 GLY H H 1 8.710 0.040 . 1 . . . A 73 GLY H . 17768 1 576 . 1 1 76 76 GLY HA2 H 1 4.100 0.040 . 2 . . . A 73 GLY HA2 . 17768 1 577 . 1 1 76 76 GLY HA3 H 1 3.860 0.040 . 2 . . . A 73 GLY HA3 . 17768 1 578 . 1 1 76 76 GLY CA C 13 44.800 0.200 . 1 . . . A 73 GLY CA . 17768 1 579 . 1 1 76 76 GLY N N 15 105.500 0.200 . 1 . . . A 73 GLY N . 17768 1 580 . 1 1 77 77 THR H H 1 9.010 0.040 . 1 . . . A 74 THR H . 17768 1 581 . 1 1 77 77 THR HA H 1 4.460 0.040 . 1 . . . A 74 THR HA . 17768 1 582 . 1 1 77 77 THR HB H 1 4.280 0.040 . 1 . . . A 74 THR HB . 17768 1 583 . 1 1 77 77 THR HG21 H 1 1.220 0.040 . 1 . . . A 74 THR HG21 . 17768 1 584 . 1 1 77 77 THR HG22 H 1 1.220 0.040 . 1 . . . A 74 THR HG22 . 17768 1 585 . 1 1 77 77 THR HG23 H 1 1.220 0.040 . 1 . . . A 74 THR HG23 . 17768 1 586 . 1 1 77 77 THR CA C 13 62.700 0.200 . 1 . . . A 74 THR CA . 17768 1 587 . 1 1 77 77 THR CB C 13 70.000 0.200 . 1 . . . A 74 THR CB . 17768 1 588 . 1 1 77 77 THR CG2 C 13 22.500 0.200 . 1 . . . A 74 THR CG2 . 17768 1 589 . 1 1 77 77 THR N N 15 114.200 0.200 . 1 . . . A 74 THR N . 17768 1 590 . 1 1 78 78 THR H H 1 7.960 0.040 . 1 . . . A 75 THR H . 17768 1 591 . 1 1 78 78 THR CA C 13 59.100 0.200 . 1 . . . A 75 THR CA . 17768 1 592 . 1 1 78 78 THR N N 15 110.800 0.200 . 1 . . . A 75 THR N . 17768 1 593 . 1 1 79 79 ARG CA C 13 60.300 0.200 . 1 . . . A 76 ARG CA . 17768 1 594 . 1 1 79 79 ARG CB C 13 29.600 0.200 . 1 . . . A 76 ARG CB . 17768 1 595 . 1 1 80 80 ALA H H 1 8.290 0.040 . 1 . . . A 77 ALA H . 17768 1 596 . 1 1 80 80 ALA HA H 1 4.020 0.040 . 1 . . . A 77 ALA HA . 17768 1 597 . 1 1 80 80 ALA HB1 H 1 1.330 0.040 . 1 . . . A 77 ALA HB1 . 17768 1 598 . 1 1 80 80 ALA HB2 H 1 1.330 0.040 . 1 . . . A 77 ALA HB2 . 17768 1 599 . 1 1 80 80 ALA HB3 H 1 1.330 0.040 . 1 . . . A 77 ALA HB3 . 17768 1 600 . 1 1 80 80 ALA CA C 13 55.400 0.200 . 1 . . . A 77 ALA CA . 17768 1 601 . 1 1 80 80 ALA CB C 13 18.700 0.200 . 1 . . . A 77 ALA CB . 17768 1 602 . 1 1 80 80 ALA N N 15 120.500 0.200 . 1 . . . A 77 ALA N . 17768 1 603 . 1 1 81 81 GLU H H 1 7.930 0.040 . 1 . . . A 78 GLU H . 17768 1 604 . 1 1 81 81 GLU HA H 1 4.040 0.040 . 1 . . . A 78 GLU HA . 17768 1 605 . 1 1 81 81 GLU HB2 H 1 1.970 0.040 . 2 . . . A 78 GLU HB2 . 17768 1 606 . 1 1 81 81 GLU HB3 H 1 2.020 0.040 . 2 . . . A 78 GLU HB3 . 17768 1 607 . 1 1 81 81 GLU HG2 H 1 2.100 0.040 . 2 . . . A 78 GLU HG2 . 17768 1 608 . 1 1 81 81 GLU HG3 H 1 2.270 0.040 . 2 . . . A 78 GLU HG3 . 17768 1 609 . 1 1 81 81 GLU CA C 13 59.700 0.200 . 1 . . . A 78 GLU CA . 17768 1 610 . 1 1 81 81 GLU CB C 13 30.500 0.200 . 1 . . . A 78 GLU CB . 17768 1 611 . 1 1 81 81 GLU N N 15 118.800 0.200 . 1 . . . A 78 GLU N . 17768 1 612 . 1 1 82 82 ALA H H 1 7.470 0.040 . 1 . . . A 79 ALA H . 17768 1 613 . 1 1 82 82 ALA HA H 1 3.880 0.040 . 1 . . . A 79 ALA HA . 17768 1 614 . 1 1 82 82 ALA HB1 H 1 1.290 0.040 . 1 . . . A 79 ALA HB1 . 17768 1 615 . 1 1 82 82 ALA HB2 H 1 1.290 0.040 . 1 . . . A 79 ALA HB2 . 17768 1 616 . 1 1 82 82 ALA HB3 H 1 1.290 0.040 . 1 . . . A 79 ALA HB3 . 17768 1 617 . 1 1 82 82 ALA CA C 13 55.500 0.200 . 1 . . . A 79 ALA CA . 17768 1 618 . 1 1 82 82 ALA CB C 13 18.400 0.200 . 1 . . . A 79 ALA CB . 17768 1 619 . 1 1 82 82 ALA N N 15 119.700 0.200 . 1 . . . A 79 ALA N . 17768 1 620 . 1 1 83 83 GLN H H 1 8.690 0.040 . 1 . . . A 80 GLN H . 17768 1 621 . 1 1 83 83 GLN HA H 1 3.830 0.040 . 1 . . . A 80 GLN HA . 17768 1 622 . 1 1 83 83 GLN HB2 H 1 2.030 0.040 . 2 . . . A 80 GLN HB2 . 17768 1 623 . 1 1 83 83 GLN HB3 H 1 2.150 0.040 . 2 . . . A 80 GLN HB3 . 17768 1 624 . 1 1 83 83 GLN HG2 H 1 2.320 0.040 . 1 . . . A 80 GLN HG2 . 17768 1 625 . 1 1 83 83 GLN HG3 H 1 2.320 0.040 . 1 . . . A 80 GLN HG3 . 17768 1 626 . 1 1 83 83 GLN CA C 13 59.200 0.200 . 1 . . . A 80 GLN CA . 17768 1 627 . 1 1 83 83 GLN CB C 13 28.700 0.200 . 1 . . . A 80 GLN CB . 17768 1 628 . 1 1 83 83 GLN N N 15 120.700 0.200 . 1 . . . A 80 GLN N . 17768 1 629 . 1 1 84 84 ASP H H 1 8.480 0.040 . 1 . . . A 81 ASP H . 17768 1 630 . 1 1 84 84 ASP HA H 1 4.370 0.040 . 1 . . . A 81 ASP HA . 17768 1 631 . 1 1 84 84 ASP HB2 H 1 2.580 0.040 . 2 . . . A 81 ASP HB2 . 17768 1 632 . 1 1 84 84 ASP HB3 H 1 2.810 0.040 . 2 . . . A 81 ASP HB3 . 17768 1 633 . 1 1 84 84 ASP CA C 13 58.500 0.200 . 1 . . . A 81 ASP CA . 17768 1 634 . 1 1 84 84 ASP CB C 13 40.300 0.200 . 1 . . . A 81 ASP CB . 17768 1 635 . 1 1 84 84 ASP N N 15 123.100 0.200 . 1 . . . A 81 ASP N . 17768 1 636 . 1 1 85 85 ILE H H 1 8.340 0.040 . 1 . . . A 82 ILE H . 17768 1 637 . 1 1 85 85 ILE HA H 1 3.540 0.040 . 1 . . . A 82 ILE HA . 17768 1 638 . 1 1 85 85 ILE HB H 1 1.640 0.040 . 1 . . . A 82 ILE HB . 17768 1 639 . 1 1 85 85 ILE HG12 H 1 2.040 0.040 . 1 . . . A 82 ILE HG12 . 17768 1 640 . 1 1 85 85 ILE HG13 H 1 2.040 0.040 . 1 . . . A 82 ILE HG13 . 17768 1 641 . 1 1 85 85 ILE HG21 H 1 0.640 0.040 . 1 . . . A 82 ILE HG21 . 17768 1 642 . 1 1 85 85 ILE HG22 H 1 0.640 0.040 . 1 . . . A 82 ILE HG22 . 17768 1 643 . 1 1 85 85 ILE HG23 H 1 0.640 0.040 . 1 . . . A 82 ILE HG23 . 17768 1 644 . 1 1 85 85 ILE HD11 H 1 0.800 0.040 . 1 . . . A 82 ILE HD11 . 17768 1 645 . 1 1 85 85 ILE HD12 H 1 0.800 0.040 . 1 . . . A 82 ILE HD12 . 17768 1 646 . 1 1 85 85 ILE HD13 H 1 0.800 0.040 . 1 . . . A 82 ILE HD13 . 17768 1 647 . 1 1 85 85 ILE CA C 13 66.700 0.200 . 1 . . . A 82 ILE CA . 17768 1 648 . 1 1 85 85 ILE CB C 13 38.500 0.200 . 1 . . . A 82 ILE CB . 17768 1 649 . 1 1 85 85 ILE CG2 C 13 20.000 0.200 . 1 . . . A 82 ILE CG2 . 17768 1 650 . 1 1 85 85 ILE CD1 C 13 14.900 0.200 . 1 . . . A 82 ILE CD1 . 17768 1 651 . 1 1 85 85 ILE N N 15 119.300 0.200 . 1 . . . A 82 ILE N . 17768 1 652 . 1 1 86 86 SER H H 1 7.880 0.040 . 1 . . . A 83 SER H . 17768 1 653 . 1 1 86 86 SER HA H 1 4.560 0.040 . 1 . . . A 83 SER HA . 17768 1 654 . 1 1 86 86 SER HB2 H 1 3.860 0.040 . 1 . . . A 83 SER HB2 . 17768 1 655 . 1 1 86 86 SER HB3 H 1 3.860 0.040 . 1 . . . A 83 SER HB3 . 17768 1 656 . 1 1 86 86 SER CA C 13 63.500 0.200 . 1 . . . A 83 SER CA . 17768 1 657 . 1 1 86 86 SER N N 15 114.800 0.200 . 1 . . . A 83 SER N . 17768 1 658 . 1 1 87 87 SER H H 1 8.320 0.040 . 1 . . . A 84 SER H . 17768 1 659 . 1 1 87 87 SER HA H 1 4.400 0.040 . 1 . . . A 84 SER HA . 17768 1 660 . 1 1 87 87 SER HB2 H 1 4.070 0.040 . 1 . . . A 84 SER HB2 . 17768 1 661 . 1 1 87 87 SER HB3 H 1 4.070 0.040 . 1 . . . A 84 SER HB3 . 17768 1 662 . 1 1 87 87 SER CA C 13 58.100 0.200 . 1 . . . A 84 SER CA . 17768 1 663 . 1 1 87 87 SER N N 15 117.400 0.200 . 1 . . . A 84 SER N . 17768 1 664 . 1 1 88 88 ARG H H 1 7.780 0.040 . 1 . . . A 85 ARG H . 17768 1 665 . 1 1 88 88 ARG HA H 1 4.090 0.040 . 1 . . . A 85 ARG HA . 17768 1 666 . 1 1 88 88 ARG HB2 H 1 1.760 0.040 . 2 . . . A 85 ARG HB2 . 17768 1 667 . 1 1 88 88 ARG HB3 H 1 1.930 0.040 . 2 . . . A 85 ARG HB3 . 17768 1 668 . 1 1 88 88 ARG HG2 H 1 1.570 0.040 . 1 . . . A 85 ARG HG2 . 17768 1 669 . 1 1 88 88 ARG HG3 H 1 1.570 0.040 . 1 . . . A 85 ARG HG3 . 17768 1 670 . 1 1 88 88 ARG HD2 H 1 3.090 0.040 . 1 . . . A 85 ARG HD2 . 17768 1 671 . 1 1 88 88 ARG HD3 H 1 3.090 0.040 . 1 . . . A 85 ARG HD3 . 17768 1 672 . 1 1 88 88 ARG CA C 13 58.700 0.200 . 1 . . . A 85 ARG CA . 17768 1 673 . 1 1 88 88 ARG N N 15 121.100 0.200 . 1 . . . A 85 ARG N . 17768 1 674 . 1 1 89 89 VAL H H 1 8.190 0.040 . 1 . . . A 86 VAL H . 17768 1 675 . 1 1 89 89 VAL HA H 1 3.360 0.040 . 1 . . . A 86 VAL HA . 17768 1 676 . 1 1 89 89 VAL HB H 1 2.300 0.040 . 1 . . . A 86 VAL HB . 17768 1 677 . 1 1 89 89 VAL HG11 H 1 0.390 0.040 . 2 . . . A 86 VAL HG11 . 17768 1 678 . 1 1 89 89 VAL HG12 H 1 0.390 0.040 . 2 . . . A 86 VAL HG12 . 17768 1 679 . 1 1 89 89 VAL HG13 H 1 0.390 0.040 . 2 . . . A 86 VAL HG13 . 17768 1 680 . 1 1 89 89 VAL HG21 H 1 0.900 0.040 . 2 . . . A 86 VAL HG21 . 17768 1 681 . 1 1 89 89 VAL HG22 H 1 0.900 0.040 . 2 . . . A 86 VAL HG22 . 17768 1 682 . 1 1 89 89 VAL HG23 H 1 0.900 0.040 . 2 . . . A 86 VAL HG23 . 17768 1 683 . 1 1 89 89 VAL CA C 13 67.500 0.200 . 1 . . . A 86 VAL CA . 17768 1 684 . 1 1 89 89 VAL CB C 13 31.000 0.200 . 1 . . . A 86 VAL CB . 17768 1 685 . 1 1 89 89 VAL CG1 C 13 21.700 0.200 . 2 . . . A 86 VAL CG1 . 17768 1 686 . 1 1 89 89 VAL CG2 C 13 25.000 0.200 . 2 . . . A 86 VAL CG2 . 17768 1 687 . 1 1 89 89 VAL N N 15 121.200 0.200 . 1 . . . A 86 VAL N . 17768 1 688 . 1 1 90 90 LEU H H 1 7.330 0.040 . 1 . . . A 87 LEU H . 17768 1 689 . 1 1 90 90 LEU HA H 1 3.690 0.040 . 1 . . . A 87 LEU HA . 17768 1 690 . 1 1 90 90 LEU HB2 H 1 1.580 0.040 . 1 . . . A 87 LEU HB2 . 17768 1 691 . 1 1 90 90 LEU HB3 H 1 1.580 0.040 . 1 . . . A 87 LEU HB3 . 17768 1 692 . 1 1 90 90 LEU HG H 1 1.580 0.040 . 1 . . . A 87 LEU HG . 17768 1 693 . 1 1 90 90 LEU HD11 H 1 0.720 0.040 . 2 . . . A 87 LEU HD11 . 17768 1 694 . 1 1 90 90 LEU HD12 H 1 0.720 0.040 . 2 . . . A 87 LEU HD12 . 17768 1 695 . 1 1 90 90 LEU HD13 H 1 0.720 0.040 . 2 . . . A 87 LEU HD13 . 17768 1 696 . 1 1 90 90 LEU HD21 H 1 0.680 0.040 . 2 . . . A 87 LEU HD21 . 17768 1 697 . 1 1 90 90 LEU HD22 H 1 0.680 0.040 . 2 . . . A 87 LEU HD22 . 17768 1 698 . 1 1 90 90 LEU HD23 H 1 0.680 0.040 . 2 . . . A 87 LEU HD23 . 17768 1 699 . 1 1 90 90 LEU CA C 13 58.300 0.200 . 1 . . . A 87 LEU CA . 17768 1 700 . 1 1 90 90 LEU CB C 13 41.300 0.200 . 1 . . . A 87 LEU CB . 17768 1 701 . 1 1 90 90 LEU CD1 C 13 25.200 0.200 . 2 . . . A 87 LEU CD1 . 17768 1 702 . 1 1 90 90 LEU CD2 C 13 24.900 0.200 . 2 . . . A 87 LEU CD2 . 17768 1 703 . 1 1 90 90 LEU N N 15 117.500 0.200 . 1 . . . A 87 LEU N . 17768 1 704 . 1 1 91 91 GLU H H 1 7.810 0.040 . 1 . . . A 88 GLU H . 17768 1 705 . 1 1 91 91 GLU HA H 1 3.620 0.040 . 1 . . . A 88 GLU HA . 17768 1 706 . 1 1 91 91 GLU HB2 H 1 1.710 0.040 . 2 . . . A 88 GLU HB2 . 17768 1 707 . 1 1 91 91 GLU HB3 H 1 2.130 0.040 . 2 . . . A 88 GLU HB3 . 17768 1 708 . 1 1 91 91 GLU HG2 H 1 2.460 0.040 . 1 . . . A 88 GLU HG2 . 17768 1 709 . 1 1 91 91 GLU HG3 H 1 2.460 0.040 . 1 . . . A 88 GLU HG3 . 17768 1 710 . 1 1 91 91 GLU CA C 13 59.100 0.200 . 1 . . . A 88 GLU CA . 17768 1 711 . 1 1 91 91 GLU CB C 13 30.600 0.200 . 1 . . . A 88 GLU CB . 17768 1 712 . 1 1 91 91 GLU N N 15 118.500 0.200 . 1 . . . A 88 GLU N . 17768 1 713 . 1 1 92 92 ALA H H 1 7.820 0.040 . 1 . . . A 89 ALA H . 17768 1 714 . 1 1 92 92 ALA HA H 1 3.060 0.040 . 1 . . . A 89 ALA HA . 17768 1 715 . 1 1 92 92 ALA HB1 H 1 1.490 0.040 . 1 . . . A 89 ALA HB1 . 17768 1 716 . 1 1 92 92 ALA HB2 H 1 1.490 0.040 . 1 . . . A 89 ALA HB2 . 17768 1 717 . 1 1 92 92 ALA HB3 H 1 1.490 0.040 . 1 . . . A 89 ALA HB3 . 17768 1 718 . 1 1 92 92 ALA CA C 13 54.400 0.200 . 1 . . . A 89 ALA CA . 17768 1 719 . 1 1 92 92 ALA CB C 13 20.200 0.200 . 1 . . . A 89 ALA CB . 17768 1 720 . 1 1 92 92 ALA N N 15 121.800 0.200 . 1 . . . A 89 ALA N . 17768 1 721 . 1 1 93 93 LEU H H 1 7.570 0.040 . 1 . . . A 90 LEU H . 17768 1 722 . 1 1 93 93 LEU HA H 1 4.020 0.040 . 1 . . . A 90 LEU HA . 17768 1 723 . 1 1 93 93 LEU HB2 H 1 1.310 0.040 . 2 . . . A 90 LEU HB2 . 17768 1 724 . 1 1 93 93 LEU HB3 H 1 1.920 0.040 . 2 . . . A 90 LEU HB3 . 17768 1 725 . 1 1 93 93 LEU HG H 1 1.860 0.040 . 1 . . . A 90 LEU HG . 17768 1 726 . 1 1 93 93 LEU HD11 H 1 0.690 0.040 . 2 . . . A 90 LEU HD11 . 17768 1 727 . 1 1 93 93 LEU HD12 H 1 0.690 0.040 . 2 . . . A 90 LEU HD12 . 17768 1 728 . 1 1 93 93 LEU HD13 H 1 0.690 0.040 . 2 . . . A 90 LEU HD13 . 17768 1 729 . 1 1 93 93 LEU HD21 H 1 0.340 0.040 . 2 . . . A 90 LEU HD21 . 17768 1 730 . 1 1 93 93 LEU HD22 H 1 0.340 0.040 . 2 . . . A 90 LEU HD22 . 17768 1 731 . 1 1 93 93 LEU HD23 H 1 0.340 0.040 . 2 . . . A 90 LEU HD23 . 17768 1 732 . 1 1 93 93 LEU CA C 13 57.200 0.200 . 1 . . . A 90 LEU CA . 17768 1 733 . 1 1 93 93 LEU CB C 13 43.700 0.200 . 1 . . . A 90 LEU CB . 17768 1 734 . 1 1 93 93 LEU CG C 13 26.300 0.200 . 1 . . . A 90 LEU CG . 17768 1 735 . 1 1 93 93 LEU CD1 C 13 23.100 0.200 . 2 . . . A 90 LEU CD1 . 17768 1 736 . 1 1 93 93 LEU CD2 C 13 26.800 0.200 . 2 . . . A 90 LEU CD2 . 17768 1 737 . 1 1 93 93 LEU N N 15 113.600 0.200 . 1 . . . A 90 LEU N . 17768 1 738 . 1 1 94 94 THR H H 1 7.280 0.040 . 1 . . . A 91 THR H . 17768 1 739 . 1 1 94 94 THR HA H 1 4.510 0.040 . 1 . . . A 91 THR HA . 17768 1 740 . 1 1 94 94 THR HB H 1 4.330 0.040 . 1 . . . A 91 THR HB . 17768 1 741 . 1 1 94 94 THR HG21 H 1 1.070 0.040 . 1 . . . A 91 THR HG21 . 17768 1 742 . 1 1 94 94 THR HG22 H 1 1.070 0.040 . 1 . . . A 91 THR HG22 . 17768 1 743 . 1 1 94 94 THR HG23 H 1 1.070 0.040 . 1 . . . A 91 THR HG23 . 17768 1 744 . 1 1 94 94 THR CA C 13 61.500 0.200 . 1 . . . A 91 THR CA . 17768 1 745 . 1 1 94 94 THR CB C 13 71.300 0.200 . 1 . . . A 91 THR CB . 17768 1 746 . 1 1 94 94 THR N N 15 102.400 0.200 . 1 . . . A 91 THR N . 17768 1 747 . 1 1 95 95 TYR H H 1 7.900 0.040 . 1 . . . A 92 TYR H . 17768 1 748 . 1 1 95 95 TYR HA H 1 4.330 0.040 . 1 . . . A 92 TYR HA . 17768 1 749 . 1 1 95 95 TYR HB2 H 1 2.860 0.040 . 2 . . . A 92 TYR HB2 . 17768 1 750 . 1 1 95 95 TYR HB3 H 1 3.130 0.040 . 2 . . . A 92 TYR HB3 . 17768 1 751 . 1 1 95 95 TYR HD1 H 1 7.270 0.040 . 3 . . . A 92 TYR HD1 . 17768 1 752 . 1 1 95 95 TYR HD2 H 1 7.270 0.040 . 3 . . . A 92 TYR HD2 . 17768 1 753 . 1 1 95 95 TYR HE1 H 1 6.950 0.040 . 3 . . . A 92 TYR HE1 . 17768 1 754 . 1 1 95 95 TYR HE2 H 1 6.950 0.040 . 3 . . . A 92 TYR HE2 . 17768 1 755 . 1 1 95 95 TYR CA C 13 59.700 0.200 . 1 . . . A 92 TYR CA . 17768 1 756 . 1 1 95 95 TYR CB C 13 37.600 0.200 . 1 . . . A 92 TYR CB . 17768 1 757 . 1 1 95 95 TYR CD1 C 13 134.200 0.200 . 3 . . . A 92 TYR CD1 . 17768 1 758 . 1 1 95 95 TYR CD2 C 13 134.200 0.200 . 3 . . . A 92 TYR CD2 . 17768 1 759 . 1 1 95 95 TYR CE1 C 13 116.900 0.200 . 3 . . . A 92 TYR CE1 . 17768 1 760 . 1 1 95 95 TYR CE2 C 13 116.900 0.200 . 3 . . . A 92 TYR CE2 . 17768 1 761 . 1 1 95 95 TYR N N 15 123.600 0.200 . 1 . . . A 92 TYR N . 17768 1 762 . 1 1 96 96 LYS H H 1 7.000 0.040 . 1 . . . A 93 LYS H . 17768 1 763 . 1 1 96 96 LYS HA H 1 4.550 0.040 . 1 . . . A 93 LYS HA . 17768 1 764 . 1 1 96 96 LYS HB2 H 1 1.500 0.040 . 2 . . . A 93 LYS HB2 . 17768 1 765 . 1 1 96 96 LYS HB3 H 1 1.130 0.040 . 2 . . . A 93 LYS HB3 . 17768 1 766 . 1 1 96 96 LYS HG2 H 1 0.920 0.040 . 2 . . . A 93 LYS HG2 . 17768 1 767 . 1 1 96 96 LYS HG3 H 1 0.470 0.040 . 2 . . . A 93 LYS HG3 . 17768 1 768 . 1 1 96 96 LYS HD2 H 1 1.430 0.040 . 1 . . . A 93 LYS HD2 . 17768 1 769 . 1 1 96 96 LYS HD3 H 1 1.430 0.040 . 1 . . . A 93 LYS HD3 . 17768 1 770 . 1 1 96 96 LYS HE2 H 1 2.820 0.040 . 2 . . . A 93 LYS HE2 . 17768 1 771 . 1 1 96 96 LYS HE3 H 1 3.020 0.040 . 2 . . . A 93 LYS HE3 . 17768 1 772 . 1 1 96 96 LYS CA C 13 53.700 0.200 . 1 . . . A 93 LYS CA . 17768 1 773 . 1 1 96 96 LYS CB C 13 33.500 0.200 . 1 . . . A 93 LYS CB . 17768 1 774 . 1 1 96 96 LYS CG C 13 23.400 0.200 . 1 . . . A 93 LYS CG . 17768 1 775 . 1 1 96 96 LYS CD C 13 30.700 0.200 . 1 . . . A 93 LYS CD . 17768 1 776 . 1 1 96 96 LYS CE C 13 42.000 0.200 . 1 . . . A 93 LYS CE . 17768 1 777 . 1 1 96 96 LYS N N 15 117.500 0.200 . 1 . . . A 93 LYS N . 17768 1 778 . 1 1 97 97 PRO HA H 1 4.370 0.040 . 1 . . . A 94 PRO HA . 17768 1 779 . 1 1 97 97 PRO HB2 H 1 2.230 0.040 . 2 . . . A 94 PRO HB2 . 17768 1 780 . 1 1 97 97 PRO HB3 H 1 1.690 0.040 . 2 . . . A 94 PRO HB3 . 17768 1 781 . 1 1 97 97 PRO HD2 H 1 3.440 0.040 . 2 . . . A 94 PRO HD2 . 17768 1 782 . 1 1 97 97 PRO HD3 H 1 3.700 0.040 . 2 . . . A 94 PRO HD3 . 17768 1 783 . 1 1 97 97 PRO CA C 13 63.600 0.200 . 1 . . . A 94 PRO CA . 17768 1 784 . 1 1 97 97 PRO CB C 13 32.700 0.200 . 1 . . . A 94 PRO CB . 17768 1 785 . 1 1 98 98 LEU H H 1 8.380 0.040 . 1 . . . A 95 LEU H . 17768 1 786 . 1 1 98 98 LEU HA H 1 4.620 0.040 . 1 . . . A 95 LEU HA . 17768 1 787 . 1 1 98 98 LEU HB2 H 1 2.420 0.040 . 2 . . . A 95 LEU HB2 . 17768 1 788 . 1 1 98 98 LEU HB3 H 1 1.120 0.040 . 2 . . . A 95 LEU HB3 . 17768 1 789 . 1 1 98 98 LEU HG H 1 1.820 0.040 . 1 . . . A 95 LEU HG . 17768 1 790 . 1 1 98 98 LEU HD11 H 1 1.030 0.040 . 2 . . . A 95 LEU HD11 . 17768 1 791 . 1 1 98 98 LEU HD12 H 1 1.030 0.040 . 2 . . . A 95 LEU HD12 . 17768 1 792 . 1 1 98 98 LEU HD13 H 1 1.030 0.040 . 2 . . . A 95 LEU HD13 . 17768 1 793 . 1 1 98 98 LEU HD21 H 1 0.710 0.040 . 2 . . . A 95 LEU HD21 . 17768 1 794 . 1 1 98 98 LEU HD22 H 1 0.710 0.040 . 2 . . . A 95 LEU HD22 . 17768 1 795 . 1 1 98 98 LEU HD23 H 1 0.710 0.040 . 2 . . . A 95 LEU HD23 . 17768 1 796 . 1 1 98 98 LEU CA C 13 53.800 0.200 . 1 . . . A 95 LEU CA . 17768 1 797 . 1 1 98 98 LEU CB C 13 43.600 0.200 . 1 . . . A 95 LEU CB . 17768 1 798 . 1 1 98 98 LEU CG C 13 27.120 0.200 . 1 . . . A 95 LEU CG . 17768 1 799 . 1 1 98 98 LEU CD1 C 13 27.800 0.200 . 2 . . . A 95 LEU CD1 . 17768 1 800 . 1 1 98 98 LEU CD2 C 13 26.600 0.200 . 2 . . . A 95 LEU CD2 . 17768 1 801 . 1 1 98 98 LEU N N 15 125.400 0.200 . 1 . . . A 95 LEU N . 17768 1 802 . 1 1 99 99 MET H H 1 8.480 0.040 . 1 . . . A 96 MET H . 17768 1 803 . 1 1 99 99 MET HA H 1 5.480 0.040 . 1 . . . A 96 MET HA . 17768 1 804 . 1 1 99 99 MET HB2 H 1 1.860 0.040 . 2 . . . A 96 MET HB2 . 17768 1 805 . 1 1 99 99 MET HB3 H 1 2.040 0.040 . 2 . . . A 96 MET HB3 . 17768 1 806 . 1 1 99 99 MET HG2 H 1 2.560 0.040 . 2 . . . A 96 MET HG2 . 17768 1 807 . 1 1 99 99 MET HG3 H 1 2.310 0.040 . 2 . . . A 96 MET HG3 . 17768 1 808 . 1 1 99 99 MET CA C 13 55.200 0.200 . 1 . . . A 96 MET CA . 17768 1 809 . 1 1 99 99 MET CB C 13 37.200 0.200 . 1 . . . A 96 MET CB . 17768 1 810 . 1 1 99 99 MET CG C 13 31.800 0.200 . 1 . . . A 96 MET CG . 17768 1 811 . 1 1 99 99 MET N N 15 123.100 0.200 . 1 . . . A 96 MET N . 17768 1 812 . 1 1 100 100 PHE H H 1 8.640 0.040 . 1 . . . A 97 PHE H . 17768 1 813 . 1 1 100 100 PHE HA H 1 4.390 0.040 . 1 . . . A 97 PHE HA . 17768 1 814 . 1 1 100 100 PHE HB2 H 1 2.950 0.040 . 2 . . . A 97 PHE HB2 . 17768 1 815 . 1 1 100 100 PHE HB3 H 1 3.190 0.040 . 2 . . . A 97 PHE HB3 . 17768 1 816 . 1 1 100 100 PHE HD1 H 1 7.280 0.040 . 3 . . . A 97 PHE HD1 . 17768 1 817 . 1 1 100 100 PHE HD2 H 1 7.280 0.040 . 3 . . . A 97 PHE HD2 . 17768 1 818 . 1 1 100 100 PHE HE1 H 1 7.330 0.040 . 3 . . . A 97 PHE HE1 . 17768 1 819 . 1 1 100 100 PHE HE2 H 1 7.330 0.040 . 3 . . . A 97 PHE HE2 . 17768 1 820 . 1 1 100 100 PHE CA C 13 60.300 0.200 . 1 . . . A 97 PHE CA . 17768 1 821 . 1 1 100 100 PHE CB C 13 43.100 0.200 . 1 . . . A 97 PHE CB . 17768 1 822 . 1 1 100 100 PHE CD1 C 13 131.580 0.200 . 3 . . . A 97 PHE CD1 . 17768 1 823 . 1 1 100 100 PHE CD2 C 13 131.580 0.200 . 3 . . . A 97 PHE CD2 . 17768 1 824 . 1 1 100 100 PHE N N 15 122.900 0.200 . 1 . . . A 97 PHE N . 17768 1 825 . 1 1 101 101 GLU H H 1 8.640 0.040 . 1 . . . A 98 GLU H . 17768 1 826 . 1 1 101 101 GLU HA H 1 3.430 0.040 . 1 . . . A 98 GLU HA . 17768 1 827 . 1 1 101 101 GLU HB2 H 1 2.020 0.040 . 2 . . . A 98 GLU HB2 . 17768 1 828 . 1 1 101 101 GLU HB3 H 1 1.800 0.040 . 2 . . . A 98 GLU HB3 . 17768 1 829 . 1 1 101 101 GLU HG2 H 1 1.410 0.040 . 2 . . . A 98 GLU HG2 . 17768 1 830 . 1 1 101 101 GLU HG3 H 1 1.720 0.040 . 2 . . . A 98 GLU HG3 . 17768 1 831 . 1 1 101 101 GLU CA C 13 58.200 0.200 . 1 . . . A 98 GLU CA . 17768 1 832 . 1 1 101 101 GLU CB C 13 28.400 0.200 . 1 . . . A 98 GLU CB . 17768 1 833 . 1 1 101 101 GLU CG C 13 37.400 0.200 . 1 . . . A 98 GLU CG . 17768 1 834 . 1 1 101 101 GLU N N 15 125.300 0.200 . 1 . . . A 98 GLU N . 17768 1 835 . 1 1 102 102 GLY H H 1 8.250 0.040 . 1 . . . A 99 GLY H . 17768 1 836 . 1 1 102 102 GLY HA2 H 1 3.730 0.040 . 1 . . . A 99 GLY HA2 . 17768 1 837 . 1 1 102 102 GLY HA3 H 1 3.730 0.040 . 1 . . . A 99 GLY HA3 . 17768 1 838 . 1 1 102 102 GLY CA C 13 45.700 0.200 . 1 . . . A 99 GLY CA . 17768 1 839 . 1 1 102 102 GLY N N 15 107.100 0.200 . 1 . . . A 99 GLY N . 17768 1 840 . 1 1 103 103 PHE H H 1 8.310 0.040 . 1 . . . A 100 PHE H . 17768 1 841 . 1 1 103 103 PHE HA H 1 4.730 0.040 . 1 . . . A 100 PHE HA . 17768 1 842 . 1 1 103 103 PHE HB2 H 1 2.960 0.040 . 1 . . . A 100 PHE HB2 . 17768 1 843 . 1 1 103 103 PHE HB3 H 1 2.960 0.040 . 1 . . . A 100 PHE HB3 . 17768 1 844 . 1 1 103 103 PHE HD1 H 1 7.120 0.040 . 3 . . . A 100 PHE HD1 . 17768 1 845 . 1 1 103 103 PHE HD2 H 1 7.120 0.040 . 3 . . . A 100 PHE HD2 . 17768 1 846 . 1 1 103 103 PHE HE1 H 1 7.220 0.040 . 3 . . . A 100 PHE HE1 . 17768 1 847 . 1 1 103 103 PHE HE2 H 1 7.220 0.040 . 3 . . . A 100 PHE HE2 . 17768 1 848 . 1 1 103 103 PHE HZ H 1 7.240 0.040 . 1 . . . A 100 PHE HZ . 17768 1 849 . 1 1 103 103 PHE CA C 13 57.900 0.200 . 1 . . . A 100 PHE CA . 17768 1 850 . 1 1 103 103 PHE CB C 13 43.000 0.200 . 1 . . . A 100 PHE CB . 17768 1 851 . 1 1 103 103 PHE CD1 C 13 132.000 0.200 . 3 . . . A 100 PHE CD1 . 17768 1 852 . 1 1 103 103 PHE CD2 C 13 132.000 0.200 . 3 . . . A 100 PHE CD2 . 17768 1 853 . 1 1 103 103 PHE N N 15 120.200 0.200 . 1 . . . A 100 PHE N . 17768 1 854 . 1 1 104 104 THR H H 1 8.250 0.040 . 1 . . . A 101 THR H . 17768 1 855 . 1 1 104 104 THR HA H 1 4.970 0.040 . 1 . . . A 101 THR HA . 17768 1 856 . 1 1 104 104 THR HB H 1 3.840 0.040 . 1 . . . A 101 THR HB . 17768 1 857 . 1 1 104 104 THR HG21 H 1 1.060 0.040 . 1 . . . A 101 THR HG21 . 17768 1 858 . 1 1 104 104 THR HG22 H 1 1.060 0.040 . 1 . . . A 101 THR HG22 . 17768 1 859 . 1 1 104 104 THR HG23 H 1 1.060 0.040 . 1 . . . A 101 THR HG23 . 17768 1 860 . 1 1 104 104 THR CA C 13 61.900 0.200 . 1 . . . A 101 THR CA . 17768 1 861 . 1 1 104 104 THR CB C 13 71.400 0.200 . 1 . . . A 101 THR CB . 17768 1 862 . 1 1 104 104 THR N N 15 116.100 0.200 . 1 . . . A 101 THR N . 17768 1 863 . 1 1 105 105 PHE H H 1 8.840 0.040 . 1 . . . A 102 PHE H . 17768 1 864 . 1 1 105 105 PHE HA H 1 5.610 0.040 . 1 . . . A 102 PHE HA . 17768 1 865 . 1 1 105 105 PHE HB2 H 1 2.850 0.040 . 2 . . . A 102 PHE HB2 . 17768 1 866 . 1 1 105 105 PHE HB3 H 1 2.680 0.040 . 2 . . . A 102 PHE HB3 . 17768 1 867 . 1 1 105 105 PHE HD1 H 1 6.830 0.040 . 3 . . . A 102 PHE HD1 . 17768 1 868 . 1 1 105 105 PHE HD2 H 1 6.830 0.040 . 3 . . . A 102 PHE HD2 . 17768 1 869 . 1 1 105 105 PHE HE1 H 1 6.770 0.040 . 3 . . . A 102 PHE HE1 . 17768 1 870 . 1 1 105 105 PHE HE2 H 1 6.770 0.040 . 3 . . . A 102 PHE HE2 . 17768 1 871 . 1 1 105 105 PHE HZ H 1 7.030 0.040 . 1 . . . A 102 PHE HZ . 17768 1 872 . 1 1 105 105 PHE CA C 13 55.600 0.200 . 1 . . . A 102 PHE CA . 17768 1 873 . 1 1 105 105 PHE CB C 13 42.600 0.200 . 1 . . . A 102 PHE CB . 17768 1 874 . 1 1 105 105 PHE N N 15 123.200 0.200 . 1 . . . A 102 PHE N . 17768 1 875 . 1 1 106 106 VAL H H 1 8.460 0.040 . 1 . . . A 103 VAL H . 17768 1 876 . 1 1 106 106 VAL HA H 1 4.500 0.040 . 1 . . . A 103 VAL HA . 17768 1 877 . 1 1 106 106 VAL HB H 1 2.000 0.040 . 1 . . . A 103 VAL HB . 17768 1 878 . 1 1 106 106 VAL HG11 H 1 0.850 0.040 . 2 . . . A 103 VAL HG11 . 17768 1 879 . 1 1 106 106 VAL HG12 H 1 0.850 0.040 . 2 . . . A 103 VAL HG12 . 17768 1 880 . 1 1 106 106 VAL HG13 H 1 0.850 0.040 . 2 . . . A 103 VAL HG13 . 17768 1 881 . 1 1 106 106 VAL HG21 H 1 0.810 0.040 . 2 . . . A 103 VAL HG21 . 17768 1 882 . 1 1 106 106 VAL HG22 H 1 0.810 0.040 . 2 . . . A 103 VAL HG22 . 17768 1 883 . 1 1 106 106 VAL HG23 H 1 0.810 0.040 . 2 . . . A 103 VAL HG23 . 17768 1 884 . 1 1 106 106 VAL CA C 13 61.200 0.200 . 1 . . . A 103 VAL CA . 17768 1 885 . 1 1 106 106 VAL CB C 13 35.200 0.200 . 1 . . . A 103 VAL CB . 17768 1 886 . 1 1 106 106 VAL N N 15 120.000 0.200 . 1 . . . A 103 VAL N . 17768 1 887 . 1 1 107 107 ALA H H 1 9.210 0.040 . 1 . . . A 104 ALA H . 17768 1 888 . 1 1 107 107 ALA HA H 1 3.840 0.040 . 1 . . . A 104 ALA HA . 17768 1 889 . 1 1 107 107 ALA HB1 H 1 0.900 0.040 . 1 . . . A 104 ALA HB1 . 17768 1 890 . 1 1 107 107 ALA HB2 H 1 0.900 0.040 . 1 . . . A 104 ALA HB2 . 17768 1 891 . 1 1 107 107 ALA HB3 H 1 0.900 0.040 . 1 . . . A 104 ALA HB3 . 17768 1 892 . 1 1 107 107 ALA CA C 13 52.400 0.200 . 1 . . . A 104 ALA CA . 17768 1 893 . 1 1 107 107 ALA CB C 13 17.800 0.200 . 1 . . . A 104 ALA CB . 17768 1 894 . 1 1 107 107 ALA N N 15 130.400 0.200 . 1 . . . A 104 ALA N . 17768 1 895 . 1 1 108 108 LYS H H 1 8.670 0.040 . 1 . . . A 105 LYS H . 17768 1 896 . 1 1 108 108 LYS HA H 1 4.230 0.040 . 1 . . . A 105 LYS HA . 17768 1 897 . 1 1 108 108 LYS HB2 H 1 1.630 0.040 . 1 . . . A 105 LYS HB2 . 17768 1 898 . 1 1 108 108 LYS HB3 H 1 1.630 0.040 . 1 . . . A 105 LYS HB3 . 17768 1 899 . 1 1 108 108 LYS HG2 H 1 1.380 0.040 . 1 . . . A 105 LYS HG2 . 17768 1 900 . 1 1 108 108 LYS HG3 H 1 1.380 0.040 . 1 . . . A 105 LYS HG3 . 17768 1 901 . 1 1 108 108 LYS CA C 13 56.200 0.200 . 1 . . . A 105 LYS CA . 17768 1 902 . 1 1 108 108 LYS N N 15 127.100 0.200 . 1 . . . A 105 LYS N . 17768 1 903 . 1 1 115 115 VAL HA H 1 4.500 0.040 . 1 . . . A 112 VAL HA . 17768 1 904 . 1 1 115 115 VAL HB H 1 1.780 0.040 . 1 . . . A 112 VAL HB . 17768 1 905 . 1 1 115 115 VAL HG11 H 1 0.710 0.040 . 2 . . . A 112 VAL HG11 . 17768 1 906 . 1 1 115 115 VAL HG12 H 1 0.710 0.040 . 2 . . . A 112 VAL HG12 . 17768 1 907 . 1 1 115 115 VAL HG13 H 1 0.710 0.040 . 2 . . . A 112 VAL HG13 . 17768 1 908 . 1 1 115 115 VAL HG21 H 1 0.640 0.040 . 2 . . . A 112 VAL HG21 . 17768 1 909 . 1 1 115 115 VAL HG22 H 1 0.640 0.040 . 2 . . . A 112 VAL HG22 . 17768 1 910 . 1 1 115 115 VAL HG23 H 1 0.640 0.040 . 2 . . . A 112 VAL HG23 . 17768 1 911 . 1 1 115 115 VAL CA C 13 62.200 0.200 . 1 . . . A 112 VAL CA . 17768 1 912 . 1 1 115 115 VAL CB C 13 33.500 0.200 . 1 . . . A 112 VAL CB . 17768 1 913 . 1 1 116 116 ILE H H 1 8.760 0.040 . 1 . . . A 113 ILE H . 17768 1 914 . 1 1 116 116 ILE HA H 1 4.520 0.040 . 1 . . . A 113 ILE HA . 17768 1 915 . 1 1 116 116 ILE HB H 1 1.840 0.040 . 1 . . . A 113 ILE HB . 17768 1 916 . 1 1 116 116 ILE HG12 H 1 0.910 0.040 . 2 . . . A 113 ILE HG12 . 17768 1 917 . 1 1 116 116 ILE HG13 H 1 1.130 0.040 . 2 . . . A 113 ILE HG13 . 17768 1 918 . 1 1 116 116 ILE HG21 H 1 0.740 0.040 . 1 . . . A 113 ILE HG21 . 17768 1 919 . 1 1 116 116 ILE HG22 H 1 0.740 0.040 . 1 . . . A 113 ILE HG22 . 17768 1 920 . 1 1 116 116 ILE HG23 H 1 0.740 0.040 . 1 . . . A 113 ILE HG23 . 17768 1 921 . 1 1 116 116 ILE HD11 H 1 0.620 0.040 . 1 . . . A 113 ILE HD11 . 17768 1 922 . 1 1 116 116 ILE HD12 H 1 0.620 0.040 . 1 . . . A 113 ILE HD12 . 17768 1 923 . 1 1 116 116 ILE HD13 H 1 0.620 0.040 . 1 . . . A 113 ILE HD13 . 17768 1 924 . 1 1 116 116 ILE CA C 13 59.900 0.200 . 1 . . . A 113 ILE CA . 17768 1 925 . 1 1 116 116 ILE CB C 13 41.700 0.200 . 1 . . . A 113 ILE CB . 17768 1 926 . 1 1 116 116 ILE CD1 C 13 13.900 0.200 . 1 . . . A 113 ILE CD1 . 17768 1 927 . 1 1 116 116 ILE N N 15 125.200 0.200 . 1 . . . A 113 ILE N . 17768 1 928 . 1 1 117 117 THR H H 1 8.380 0.040 . 1 . . . A 114 THR H . 17768 1 929 . 1 1 117 117 THR HA H 1 4.560 0.040 . 1 . . . A 114 THR HA . 17768 1 930 . 1 1 117 117 THR HB H 1 3.930 0.040 . 1 . . . A 114 THR HB . 17768 1 931 . 1 1 117 117 THR HG21 H 1 1.140 0.040 . 1 . . . A 114 THR HG21 . 17768 1 932 . 1 1 117 117 THR HG22 H 1 1.140 0.040 . 1 . . . A 114 THR HG22 . 17768 1 933 . 1 1 117 117 THR HG23 H 1 1.140 0.040 . 1 . . . A 114 THR HG23 . 17768 1 934 . 1 1 117 117 THR CA C 13 62.300 0.200 . 1 . . . A 114 THR CA . 17768 1 935 . 1 1 117 117 THR CB C 13 69.400 0.200 . 1 . . . A 114 THR CB . 17768 1 936 . 1 1 117 117 THR N N 15 119.000 0.200 . 1 . . . A 114 THR N . 17768 1 937 . 1 1 118 118 ASP H H 1 8.920 0.040 . 1 . . . A 115 ASP H . 17768 1 938 . 1 1 118 118 ASP HA H 1 4.650 0.040 . 1 . . . A 115 ASP HA . 17768 1 939 . 1 1 118 118 ASP CA C 13 54.500 0.200 . 1 . . . A 115 ASP CA . 17768 1 940 . 1 1 118 118 ASP CB C 13 43.300 0.200 . 1 . . . A 115 ASP CB . 17768 1 941 . 1 1 118 118 ASP N N 15 126.200 0.200 . 1 . . . A 115 ASP N . 17768 1 942 . 1 1 119 119 THR HA H 1 3.990 0.040 . 1 . . . A 116 THR HA . 17768 1 943 . 1 1 119 119 THR HB H 1 4.230 0.040 . 1 . . . A 116 THR HB . 17768 1 944 . 1 1 119 119 THR HG21 H 1 1.270 0.040 . 1 . . . A 116 THR HG21 . 17768 1 945 . 1 1 119 119 THR HG22 H 1 1.270 0.040 . 1 . . . A 116 THR HG22 . 17768 1 946 . 1 1 119 119 THR HG23 H 1 1.270 0.040 . 1 . . . A 116 THR HG23 . 17768 1 947 . 1 1 119 119 THR CA C 13 64.800 0.200 . 1 . . . A 116 THR CA . 17768 1 948 . 1 1 119 119 THR CB C 13 69.200 0.200 . 1 . . . A 116 THR CB . 17768 1 949 . 1 1 119 119 THR CG2 C 13 22.700 0.200 . 1 . . . A 116 THR CG2 . 17768 1 950 . 1 1 120 120 ASP H H 1 8.360 0.040 . 1 . . . A 117 ASP H . 17768 1 951 . 1 1 120 120 ASP CA C 13 54.800 0.200 . 1 . . . A 117 ASP CA . 17768 1 952 . 1 1 120 120 ASP CB C 13 39.700 0.200 . 1 . . . A 117 ASP CB . 17768 1 953 . 1 1 120 120 ASP N N 15 120.500 0.200 . 1 . . . A 117 ASP N . 17768 1 954 . 1 1 121 121 GLY H H 1 8.310 0.040 . 1 . . . A 118 GLY H . 17768 1 955 . 1 1 121 121 GLY HA2 H 1 4.720 0.040 . 1 . . . A 118 GLY HA2 . 17768 1 956 . 1 1 121 121 GLY HA3 H 1 4.720 0.040 . 1 . . . A 118 GLY HA3 . 17768 1 957 . 1 1 121 121 GLY CA C 13 45.800 0.200 . 1 . . . A 118 GLY CA . 17768 1 958 . 1 1 121 121 GLY N N 15 108.600 0.200 . 1 . . . A 118 GLY N . 17768 1 959 . 1 1 122 122 VAL H H 1 8.500 0.040 . 1 . . . A 119 VAL H . 17768 1 960 . 1 1 122 122 VAL HA H 1 4.200 0.040 . 1 . . . A 119 VAL HA . 17768 1 961 . 1 1 122 122 VAL HB H 1 1.920 0.040 . 1 . . . A 119 VAL HB . 17768 1 962 . 1 1 122 122 VAL HG11 H 1 0.800 0.040 . 2 . . . A 119 VAL HG11 . 17768 1 963 . 1 1 122 122 VAL HG12 H 1 0.800 0.040 . 2 . . . A 119 VAL HG12 . 17768 1 964 . 1 1 122 122 VAL HG13 H 1 0.800 0.040 . 2 . . . A 119 VAL HG13 . 17768 1 965 . 1 1 122 122 VAL HG21 H 1 0.850 0.040 . 2 . . . A 119 VAL HG21 . 17768 1 966 . 1 1 122 122 VAL HG22 H 1 0.850 0.040 . 2 . . . A 119 VAL HG22 . 17768 1 967 . 1 1 122 122 VAL HG23 H 1 0.850 0.040 . 2 . . . A 119 VAL HG23 . 17768 1 968 . 1 1 122 122 VAL CA C 13 63.200 0.200 . 1 . . . A 119 VAL CA . 17768 1 969 . 1 1 122 122 VAL CB C 13 36.000 0.200 . 1 . . . A 119 VAL CB . 17768 1 970 . 1 1 122 122 VAL N N 15 118.600 0.200 . 1 . . . A 119 VAL N . 17768 1 971 . 1 1 123 123 THR H H 1 9.700 0.040 . 1 . . . A 120 THR H . 17768 1 972 . 1 1 123 123 THR HA H 1 4.030 0.040 . 1 . . . A 120 THR HA . 17768 1 973 . 1 1 123 123 THR HB H 1 4.090 0.040 . 1 . . . A 120 THR HB . 17768 1 974 . 1 1 123 123 THR HG21 H 1 1.100 0.040 . 1 . . . A 120 THR HG21 . 17768 1 975 . 1 1 123 123 THR HG22 H 1 1.100 0.040 . 1 . . . A 120 THR HG22 . 17768 1 976 . 1 1 123 123 THR HG23 H 1 1.100 0.040 . 1 . . . A 120 THR HG23 . 17768 1 977 . 1 1 123 123 THR CA C 13 64.800 0.200 . 1 . . . A 120 THR CA . 17768 1 978 . 1 1 123 123 THR CB C 13 68.400 0.200 . 1 . . . A 120 THR CB . 17768 1 979 . 1 1 123 123 THR N N 15 123.300 0.200 . 1 . . . A 120 THR N . 17768 1 980 . 1 1 124 124 LYS H H 1 8.650 0.040 . 1 . . . A 121 LYS H . 17768 1 981 . 1 1 124 124 LYS HA H 1 4.550 0.040 . 1 . . . A 121 LYS HA . 17768 1 982 . 1 1 124 124 LYS HB2 H 1 1.720 0.040 . 1 . . . A 121 LYS HB2 . 17768 1 983 . 1 1 124 124 LYS HB3 H 1 1.720 0.040 . 1 . . . A 121 LYS HB3 . 17768 1 984 . 1 1 124 124 LYS CA C 13 54.300 0.200 . 1 . . . A 121 LYS CA . 17768 1 985 . 1 1 124 124 LYS N N 15 125.500 0.200 . 1 . . . A 121 LYS N . 17768 1 986 . 1 1 125 125 HIS H H 1 8.580 0.040 . 1 . . . A 122 HIS H . 17768 1 987 . 1 1 125 125 HIS HA H 1 5.080 0.040 . 1 . . . A 122 HIS HA . 17768 1 988 . 1 1 125 125 HIS HB2 H 1 1.990 0.040 . 2 . . . A 122 HIS HB2 . 17768 1 989 . 1 1 125 125 HIS HB3 H 1 2.640 0.040 . 2 . . . A 122 HIS HB3 . 17768 1 990 . 1 1 125 125 HIS CA C 13 51.600 0.200 . 1 . . . A 122 HIS CA . 17768 1 991 . 1 1 125 125 HIS CB C 13 31.600 0.200 . 1 . . . A 122 HIS CB . 17768 1 992 . 1 1 125 125 HIS N N 15 121.400 0.200 . 1 . . . A 122 HIS N . 17768 1 993 . 1 1 126 126 GLY H H 1 10.010 0.040 . 1 . . . A 123 GLY H . 17768 1 994 . 1 1 126 126 GLY HA2 H 1 4.900 0.040 . 1 . . . A 123 GLY HA2 . 17768 1 995 . 1 1 126 126 GLY HA3 H 1 4.900 0.040 . 1 . . . A 123 GLY HA3 . 17768 1 996 . 1 1 126 126 GLY CA C 13 44.200 0.200 . 1 . . . A 123 GLY CA . 17768 1 997 . 1 1 126 126 GLY N N 15 114.000 0.200 . 1 . . . A 123 GLY N . 17768 1 998 . 1 1 127 127 ILE H H 1 8.740 0.040 . 1 . . . A 124 ILE H . 17768 1 999 . 1 1 127 127 ILE HA H 1 4.480 0.040 . 1 . . . A 124 ILE HA . 17768 1 1000 . 1 1 127 127 ILE HB H 1 1.270 0.040 . 1 . . . A 124 ILE HB . 17768 1 1001 . 1 1 127 127 ILE HG12 H 1 0.770 0.040 . 2 . . . A 124 ILE HG12 . 17768 1 1002 . 1 1 127 127 ILE HG13 H 1 0.600 0.040 . 2 . . . A 124 ILE HG13 . 17768 1 1003 . 1 1 127 127 ILE HG21 H 1 0.480 0.040 . 1 . . . A 124 ILE HG21 . 17768 1 1004 . 1 1 127 127 ILE HG22 H 1 0.480 0.040 . 1 . . . A 124 ILE HG22 . 17768 1 1005 . 1 1 127 127 ILE HG23 H 1 0.480 0.040 . 1 . . . A 124 ILE HG23 . 17768 1 1006 . 1 1 127 127 ILE HD11 H 1 0.400 0.040 . 1 . . . A 124 ILE HD11 . 17768 1 1007 . 1 1 127 127 ILE HD12 H 1 0.400 0.040 . 1 . . . A 124 ILE HD12 . 17768 1 1008 . 1 1 127 127 ILE HD13 H 1 0.400 0.040 . 1 . . . A 124 ILE HD13 . 17768 1 1009 . 1 1 127 127 ILE CA C 13 60.700 0.200 . 1 . . . A 124 ILE CA . 17768 1 1010 . 1 1 127 127 ILE CB C 13 41.100 0.200 . 1 . . . A 124 ILE CB . 17768 1 1011 . 1 1 127 127 ILE CG1 C 13 28.300 0.200 . 1 . . . A 124 ILE CG1 . 17768 1 1012 . 1 1 127 127 ILE CG2 C 13 17.900 0.200 . 1 . . . A 124 ILE CG2 . 17768 1 1013 . 1 1 127 127 ILE CD1 C 13 14.300 0.200 . 1 . . . A 124 ILE CD1 . 17768 1 1014 . 1 1 127 127 ILE N N 15 124.000 0.200 . 1 . . . A 124 ILE N . 17768 1 1015 . 1 1 128 128 ILE H H 1 8.640 0.040 . 1 . . . A 125 ILE H . 17768 1 1016 . 1 1 128 128 ILE HA H 1 4.780 0.040 . 1 . . . A 125 ILE HA . 17768 1 1017 . 1 1 128 128 ILE HB H 1 1.820 0.040 . 1 . . . A 125 ILE HB . 17768 1 1018 . 1 1 128 128 ILE HG12 H 1 1.440 0.040 . 2 . . . A 125 ILE HG12 . 17768 1 1019 . 1 1 128 128 ILE HG13 H 1 1.250 0.040 . 2 . . . A 125 ILE HG13 . 17768 1 1020 . 1 1 128 128 ILE HG21 H 1 0.750 0.040 . 1 . . . A 125 ILE HG21 . 17768 1 1021 . 1 1 128 128 ILE HG22 H 1 0.750 0.040 . 1 . . . A 125 ILE HG22 . 17768 1 1022 . 1 1 128 128 ILE HG23 H 1 0.750 0.040 . 1 . . . A 125 ILE HG23 . 17768 1 1023 . 1 1 128 128 ILE CA C 13 60.100 0.200 . 1 . . . A 125 ILE CA . 17768 1 1024 . 1 1 128 128 ILE CB C 13 41.800 0.200 . 1 . . . A 125 ILE CB . 17768 1 1025 . 1 1 128 128 ILE N N 15 126.200 0.200 . 1 . . . A 125 ILE N . 17768 1 1026 . 1 1 129 129 LYS H H 1 8.990 0.040 . 1 . . . A 126 LYS H . 17768 1 1027 . 1 1 129 129 LYS HA H 1 5.410 0.040 . 1 . . . A 126 LYS HA . 17768 1 1028 . 1 1 129 129 LYS HB2 H 1 1.420 0.040 . 2 . . . A 126 LYS HB2 . 17768 1 1029 . 1 1 129 129 LYS HB3 H 1 1.530 0.040 . 2 . . . A 126 LYS HB3 . 17768 1 1030 . 1 1 129 129 LYS HG2 H 1 1.290 0.040 . 2 . . . A 126 LYS HG2 . 17768 1 1031 . 1 1 129 129 LYS HG3 H 1 1.270 0.040 . 2 . . . A 126 LYS HG3 . 17768 1 1032 . 1 1 129 129 LYS CA C 13 55.600 0.200 . 1 . . . A 126 LYS CA . 17768 1 1033 . 1 1 129 129 LYS CB C 13 36.100 0.200 . 1 . . . A 126 LYS CB . 17768 1 1034 . 1 1 129 129 LYS N N 15 126.300 0.200 . 1 . . . A 126 LYS N . 17768 1 1035 . 1 1 130 130 VAL H H 1 8.880 0.040 . 1 . . . A 127 VAL H . 17768 1 1036 . 1 1 130 130 VAL HA H 1 4.560 0.040 . 1 . . . A 127 VAL HA . 17768 1 1037 . 1 1 130 130 VAL HB H 1 1.840 0.040 . 1 . . . A 127 VAL HB . 17768 1 1038 . 1 1 130 130 VAL HG11 H 1 -0.060 0.040 . 2 . . . A 127 VAL HG11 . 17768 1 1039 . 1 1 130 130 VAL HG12 H 1 -0.060 0.040 . 2 . . . A 127 VAL HG12 . 17768 1 1040 . 1 1 130 130 VAL HG13 H 1 -0.060 0.040 . 2 . . . A 127 VAL HG13 . 17768 1 1041 . 1 1 130 130 VAL HG21 H 1 0.700 0.040 . 2 . . . A 127 VAL HG21 . 17768 1 1042 . 1 1 130 130 VAL HG22 H 1 0.700 0.040 . 2 . . . A 127 VAL HG22 . 17768 1 1043 . 1 1 130 130 VAL HG23 H 1 0.700 0.040 . 2 . . . A 127 VAL HG23 . 17768 1 1044 . 1 1 130 130 VAL CA C 13 61.100 0.200 . 1 . . . A 127 VAL CA . 17768 1 1045 . 1 1 130 130 VAL CB C 13 36.000 0.200 . 1 . . . A 127 VAL CB . 17768 1 1046 . 1 1 130 130 VAL CG1 C 13 21.400 0.200 . 2 . . . A 127 VAL CG1 . 17768 1 1047 . 1 1 130 130 VAL CG2 C 13 22.700 0.200 . 2 . . . A 127 VAL CG2 . 17768 1 1048 . 1 1 130 130 VAL N N 15 126.300 0.200 . 1 . . . A 127 VAL N . 17768 1 1049 . 1 1 131 131 ARG H H 1 8.720 0.040 . 1 . . . A 128 ARG H . 17768 1 1050 . 1 1 131 131 ARG HA H 1 4.960 0.040 . 1 . . . A 128 ARG HA . 17768 1 1051 . 1 1 131 131 ARG HB2 H 1 1.500 0.040 . 2 . . . A 128 ARG HB2 . 17768 1 1052 . 1 1 131 131 ARG HB3 H 1 1.620 0.040 . 2 . . . A 128 ARG HB3 . 17768 1 1053 . 1 1 131 131 ARG CA C 13 55.600 0.200 . 1 . . . A 128 ARG CA . 17768 1 1054 . 1 1 131 131 ARG CB C 13 32.600 0.200 . 1 . . . A 128 ARG CB . 17768 1 1055 . 1 1 131 131 ARG N N 15 126.600 0.200 . 1 . . . A 128 ARG N . 17768 1 1056 . 1 1 132 132 PHE H H 1 9.720 0.040 . 1 . . . A 129 PHE H . 17768 1 1057 . 1 1 132 132 PHE HA H 1 5.610 0.040 . 1 . . . A 129 PHE HA . 17768 1 1058 . 1 1 132 132 PHE HB2 H 1 2.950 0.040 . 2 . . . A 129 PHE HB2 . 17768 1 1059 . 1 1 132 132 PHE HB3 H 1 2.910 0.040 . 2 . . . A 129 PHE HB3 . 17768 1 1060 . 1 1 132 132 PHE HD1 H 1 7.050 0.040 . 3 . . . A 129 PHE HD1 . 17768 1 1061 . 1 1 132 132 PHE HD2 H 1 7.050 0.040 . 3 . . . A 129 PHE HD2 . 17768 1 1062 . 1 1 132 132 PHE HE1 H 1 7.240 0.040 . 3 . . . A 129 PHE HE1 . 17768 1 1063 . 1 1 132 132 PHE HE2 H 1 7.240 0.040 . 3 . . . A 129 PHE HE2 . 17768 1 1064 . 1 1 132 132 PHE HZ H 1 7.160 0.040 . 1 . . . A 129 PHE HZ . 17768 1 1065 . 1 1 132 132 PHE CA C 13 56.600 0.200 . 1 . . . A 129 PHE CA . 17768 1 1066 . 1 1 132 132 PHE CB C 13 42.400 0.200 . 1 . . . A 129 PHE CB . 17768 1 1067 . 1 1 132 132 PHE N N 15 125.700 0.200 . 1 . . . A 129 PHE N . 17768 1 1068 . 1 1 133 133 THR H H 1 9.100 0.040 . 1 . . . A 130 THR H . 17768 1 1069 . 1 1 133 133 THR HA H 1 5.070 0.040 . 1 . . . A 130 THR HA . 17768 1 1070 . 1 1 133 133 THR HB H 1 4.120 0.040 . 1 . . . A 130 THR HB . 17768 1 1071 . 1 1 133 133 THR HG21 H 1 1.190 0.040 . 1 . . . A 130 THR HG21 . 17768 1 1072 . 1 1 133 133 THR HG22 H 1 1.190 0.040 . 1 . . . A 130 THR HG22 . 17768 1 1073 . 1 1 133 133 THR HG23 H 1 1.190 0.040 . 1 . . . A 130 THR HG23 . 17768 1 1074 . 1 1 133 133 THR CA C 13 61.800 0.200 . 1 . . . A 130 THR CA . 17768 1 1075 . 1 1 133 133 THR CB C 13 71.100 0.200 . 1 . . . A 130 THR CB . 17768 1 1076 . 1 1 133 133 THR N N 15 114.700 0.200 . 1 . . . A 130 THR N . 17768 1 1077 . 1 1 134 134 ILE H H 1 8.400 0.040 . 1 . . . A 131 ILE H . 17768 1 1078 . 1 1 134 134 ILE HB H 1 1.790 0.040 . 1 . . . A 131 ILE HB . 17768 1 1079 . 1 1 134 134 ILE HG21 H 1 0.850 0.040 . 1 . . . A 131 ILE HG21 . 17768 1 1080 . 1 1 134 134 ILE HG22 H 1 0.850 0.040 . 1 . . . A 131 ILE HG22 . 17768 1 1081 . 1 1 134 134 ILE HG23 H 1 0.850 0.040 . 1 . . . A 131 ILE HG23 . 17768 1 1082 . 1 1 134 134 ILE CA C 13 61.400 0.200 . 1 . . . A 131 ILE CA . 17768 1 1083 . 1 1 134 134 ILE N N 15 123.000 0.200 . 1 . . . A 131 ILE N . 17768 1 1084 . 1 1 138 138 THR HA H 1 4.240 0.040 . 1 . . . A 200 THR HA . 17768 1 1085 . 1 1 138 138 THR HB H 1 3.870 0.040 . 1 . . . A 200 THR HB . 17768 1 1086 . 1 1 138 138 THR CA C 13 62.000 0.200 . 1 . . . A 200 THR CA . 17768 1 1087 . 1 1 138 138 THR CB C 13 69.900 0.200 . 1 . . . A 200 THR CB . 17768 1 1088 . 1 1 139 139 GLY H H 1 7.900 0.040 . 1 . . . A 201 GLY H . 17768 1 1089 . 1 1 139 139 GLY HA2 H 1 3.700 0.040 . 2 . . . A 201 GLY HA2 . 17768 1 1090 . 1 1 139 139 GLY HA3 H 1 3.640 0.040 . 2 . . . A 201 GLY HA3 . 17768 1 1091 . 1 1 139 139 GLY CA C 13 45.700 0.200 . 1 . . . A 201 GLY CA . 17768 1 1092 . 1 1 139 139 GLY N N 15 117.200 0.200 . 1 . . . A 201 GLY N . 17768 1 stop_ save_