data_16250 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16250 _Entry.Title ; NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-09 _Entry.Accession_date 2009-04-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jeffrey Mills . L. . 16250 2 Arindam Ghosh . . . 16250 3 Erwin Garcia . . . 16250 4 Qi Zhang . . . 16250 5 Ritu Shastry . . . 16250 6 Erica Foote . L. . 16250 7 Haleema Janjua . . . 16250 8 Thomas Acton . B. . 16250 9 Rong Xiao . . . 16250 10 John Everett . K. . 16250 11 Gaetano Montelione . T. . 16250 12 Thomas Szyperski . . . 16250 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16250 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 16250 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GFT NMR' . 16250 'high throughput' . 16250 'human intersectin-1' . 16250 NESGC . 16250 NMR . 16250 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16250 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 16250 '15N chemical shifts' 112 16250 '1H chemical shifts' 741 16250 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 2 . . 2010-06-03 2009-04-09 update BMRB 'edit assembly name' 16250 1 . . 2009-06-11 2009-04-09 original author 'original release' 16250 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KHN 'BMRB Entry Tracking System' 16250 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16250 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Mills . L. . 16250 1 2 Arindam Ghosh . . . 16250 1 3 Erwin Garcia . . . 16250 1 4 Qi Zhang . . . 16250 1 5 Ritu Shastry . . . 16250 1 6 Erica Foote . L. . 16250 1 7 Haleema Janjua . . . 16250 1 8 Thomas Acton . B. . 16250 1 9 Rong Xiao . . . 16250 1 10 John Everett . K. . 16250 1 11 Gaetano Montelione . T. . 16250 1 12 Thomas Szyperski . . . 16250 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GFT NMR' 16250 1 'High throughput' 16250 1 'human intersectin-1' 16250 1 NESGC 16250 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16250 _Assembly.ID 1 _Assembly.Name 'human intersectin-1' _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 HR3646E 1 $HR3646E A . yes native no no . . . 16250 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR3646E _Entity.Sf_category entity _Entity.Sf_framecode HR3646E _Entity.Entry_ID 16250 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR3646E _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 ; MGHHHHHHSHMAQFPTPFGG SLDTWAITVEERAKHDQQFH SLKPISGFITGDQARNFFFQ SGLPQPVLAQIWALADMNND GRMDQVEFSIAMKLIKLKLQ GYQLPSALPPVMKQQPVAIS S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13614.668 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2KHN . "Nmr Solution Structure Of The Eh 1 Domain From Human Intersectin-1 Protein. Northeast Structural Genomics Consortium Target Hr3" . . . . . 100.00 121 100.00 100.00 1.10e-82 . . . . 16250 1 no GB ABW71829 . "intersectin short variant 12 [Homo sapiens]" . . . . . 51.24 105 98.39 98.39 2.07e-36 . . . . 16250 1 no REF XP_004318550 . "PREDICTED: intersectin-1 [Tursiops truncatus]" . . . . . 51.24 62 98.39 98.39 5.12e-36 . . . . 16250 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16250 1 2 . GLY . 16250 1 3 . HIS . 16250 1 4 . HIS . 16250 1 5 . HIS . 16250 1 6 . HIS . 16250 1 7 . HIS . 16250 1 8 . HIS . 16250 1 9 . SER . 16250 1 10 . HIS . 16250 1 11 . MET . 16250 1 12 . ALA . 16250 1 13 . GLN . 16250 1 14 . PHE . 16250 1 15 . PRO . 16250 1 16 . THR . 16250 1 17 . PRO . 16250 1 18 . PHE . 16250 1 19 . GLY . 16250 1 20 . GLY . 16250 1 21 . SER . 16250 1 22 . LEU . 16250 1 23 . ASP . 16250 1 24 . THR . 16250 1 25 . TRP . 16250 1 26 . ALA . 16250 1 27 . ILE . 16250 1 28 . THR . 16250 1 29 . VAL . 16250 1 30 . GLU . 16250 1 31 . GLU . 16250 1 32 . ARG . 16250 1 33 . ALA . 16250 1 34 . LYS . 16250 1 35 . HIS . 16250 1 36 . ASP . 16250 1 37 . GLN . 16250 1 38 . GLN . 16250 1 39 . PHE . 16250 1 40 . HIS . 16250 1 41 . SER . 16250 1 42 . LEU . 16250 1 43 . LYS . 16250 1 44 . PRO . 16250 1 45 . ILE . 16250 1 46 . SER . 16250 1 47 . GLY . 16250 1 48 . PHE . 16250 1 49 . ILE . 16250 1 50 . THR . 16250 1 51 . GLY . 16250 1 52 . ASP . 16250 1 53 . GLN . 16250 1 54 . ALA . 16250 1 55 . ARG . 16250 1 56 . ASN . 16250 1 57 . PHE . 16250 1 58 . PHE . 16250 1 59 . PHE . 16250 1 60 . GLN . 16250 1 61 . SER . 16250 1 62 . GLY . 16250 1 63 . LEU . 16250 1 64 . PRO . 16250 1 65 . GLN . 16250 1 66 . PRO . 16250 1 67 . VAL . 16250 1 68 . LEU . 16250 1 69 . ALA . 16250 1 70 . GLN . 16250 1 71 . ILE . 16250 1 72 . TRP . 16250 1 73 . ALA . 16250 1 74 . LEU . 16250 1 75 . ALA . 16250 1 76 . ASP . 16250 1 77 . MET . 16250 1 78 . ASN . 16250 1 79 . ASN . 16250 1 80 . ASP . 16250 1 81 . GLY . 16250 1 82 . ARG . 16250 1 83 . MET . 16250 1 84 . ASP . 16250 1 85 . GLN . 16250 1 86 . VAL . 16250 1 87 . GLU . 16250 1 88 . PHE . 16250 1 89 . SER . 16250 1 90 . ILE . 16250 1 91 . ALA . 16250 1 92 . MET . 16250 1 93 . LYS . 16250 1 94 . LEU . 16250 1 95 . ILE . 16250 1 96 . LYS . 16250 1 97 . LEU . 16250 1 98 . LYS . 16250 1 99 . LEU . 16250 1 100 . GLN . 16250 1 101 . GLY . 16250 1 102 . TYR . 16250 1 103 . GLN . 16250 1 104 . LEU . 16250 1 105 . PRO . 16250 1 106 . SER . 16250 1 107 . ALA . 16250 1 108 . LEU . 16250 1 109 . PRO . 16250 1 110 . PRO . 16250 1 111 . VAL . 16250 1 112 . MET . 16250 1 113 . LYS . 16250 1 114 . GLN . 16250 1 115 . GLN . 16250 1 116 . PRO . 16250 1 117 . VAL . 16250 1 118 . ALA . 16250 1 119 . ILE . 16250 1 120 . SER . 16250 1 121 . SER . 16250 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16250 1 . GLY 2 2 16250 1 . HIS 3 3 16250 1 . HIS 4 4 16250 1 . HIS 5 5 16250 1 . HIS 6 6 16250 1 . HIS 7 7 16250 1 . HIS 8 8 16250 1 . SER 9 9 16250 1 . HIS 10 10 16250 1 . MET 11 11 16250 1 . ALA 12 12 16250 1 . GLN 13 13 16250 1 . PHE 14 14 16250 1 . PRO 15 15 16250 1 . THR 16 16 16250 1 . PRO 17 17 16250 1 . PHE 18 18 16250 1 . GLY 19 19 16250 1 . GLY 20 20 16250 1 . SER 21 21 16250 1 . LEU 22 22 16250 1 . ASP 23 23 16250 1 . THR 24 24 16250 1 . TRP 25 25 16250 1 . ALA 26 26 16250 1 . ILE 27 27 16250 1 . THR 28 28 16250 1 . VAL 29 29 16250 1 . GLU 30 30 16250 1 . GLU 31 31 16250 1 . ARG 32 32 16250 1 . ALA 33 33 16250 1 . LYS 34 34 16250 1 . HIS 35 35 16250 1 . ASP 36 36 16250 1 . GLN 37 37 16250 1 . GLN 38 38 16250 1 . PHE 39 39 16250 1 . HIS 40 40 16250 1 . SER 41 41 16250 1 . LEU 42 42 16250 1 . LYS 43 43 16250 1 . PRO 44 44 16250 1 . ILE 45 45 16250 1 . SER 46 46 16250 1 . GLY 47 47 16250 1 . PHE 48 48 16250 1 . ILE 49 49 16250 1 . THR 50 50 16250 1 . GLY 51 51 16250 1 . ASP 52 52 16250 1 . GLN 53 53 16250 1 . ALA 54 54 16250 1 . ARG 55 55 16250 1 . ASN 56 56 16250 1 . PHE 57 57 16250 1 . PHE 58 58 16250 1 . PHE 59 59 16250 1 . GLN 60 60 16250 1 . SER 61 61 16250 1 . GLY 62 62 16250 1 . LEU 63 63 16250 1 . PRO 64 64 16250 1 . GLN 65 65 16250 1 . PRO 66 66 16250 1 . VAL 67 67 16250 1 . LEU 68 68 16250 1 . ALA 69 69 16250 1 . GLN 70 70 16250 1 . ILE 71 71 16250 1 . TRP 72 72 16250 1 . ALA 73 73 16250 1 . LEU 74 74 16250 1 . ALA 75 75 16250 1 . ASP 76 76 16250 1 . MET 77 77 16250 1 . ASN 78 78 16250 1 . ASN 79 79 16250 1 . ASP 80 80 16250 1 . GLY 81 81 16250 1 . ARG 82 82 16250 1 . MET 83 83 16250 1 . ASP 84 84 16250 1 . GLN 85 85 16250 1 . VAL 86 86 16250 1 . GLU 87 87 16250 1 . PHE 88 88 16250 1 . SER 89 89 16250 1 . ILE 90 90 16250 1 . ALA 91 91 16250 1 . MET 92 92 16250 1 . LYS 93 93 16250 1 . LEU 94 94 16250 1 . ILE 95 95 16250 1 . LYS 96 96 16250 1 . LEU 97 97 16250 1 . LYS 98 98 16250 1 . LEU 99 99 16250 1 . GLN 100 100 16250 1 . GLY 101 101 16250 1 . TYR 102 102 16250 1 . GLN 103 103 16250 1 . LEU 104 104 16250 1 . PRO 105 105 16250 1 . SER 106 106 16250 1 . ALA 107 107 16250 1 . LEU 108 108 16250 1 . PRO 109 109 16250 1 . PRO 110 110 16250 1 . VAL 111 111 16250 1 . MET 112 112 16250 1 . LYS 113 113 16250 1 . GLN 114 114 16250 1 . GLN 115 115 16250 1 . PRO 116 116 16250 1 . VAL 117 117 16250 1 . ALA 118 118 16250 1 . ILE 119 119 16250 1 . SER 120 120 16250 1 . SER 121 121 16250 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 16250 _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 $HR3646E . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16250 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 16250 _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 $HR3646E . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 14-15C' . . . . . . 16250 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 16250 _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 HR3646E '[U-98% 13C; U-98% 15N]' . . 1 $HR3646E . . 0.87 . . mM . . . . 16250 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16250 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16250 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16250 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16250 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16250 1 7 H20 'natural abundance' . . . . . . 90 . . % . . . . 16250 1 8 D20 'natural abundance' . . . . . . 10 . . % . . . . 16250 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 16250 _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 HR3646E '[U-5% 13C; U-98% 15N]' . . 1 $HR3646E . . 0.81 . . mM . . . . 16250 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16250 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16250 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16250 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16250 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16250 2 7 H20 'natural abundance' . . . . . . 90 . . % . . . . 16250 2 8 D20 'natural abundance' . . . . . . 10 . . % . . . . 16250 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16250 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 430 . mM 16250 1 pH 6.5 . pH 16250 1 pressure 1.0 . atm 16250 1 temperature 298 . K 16250 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16250 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16250 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16250 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16250 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16250 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16250 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16250 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16250 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16250 3 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 16250 _Software.ID 4 _Software.Name SPSCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Glaser . . 16250 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16250 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16250 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16250 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16250 5 'data analysis' 16250 5 'peak picking' 16250 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16250 _Software.ID 6 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16250 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16250 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16250 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16250 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16250 7 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16250 _Software.ID 8 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16250 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16250 8 'structure solution' 16250 8 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16250 _Software.ID 9 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16250 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16250 9 refinement 16250 9 'structure solution' 16250 9 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16250 _Software.ID 10 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16250 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16250 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16250 _Software.ID 11 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16250 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16250 11 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 16250 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16250 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16250 _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 Varian INOVA . 750 . . . 16250 1 2 spectrometer_2 Varian INOVA . 600 . . . 16250 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 16250 _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 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 1 '3D sim. 15N,13C NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16250 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 5 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 6 'GFT (4,3)D HNCABCA' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 7 'GFT (4,3)D CABCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 8 'GFT (4,3)D arom. HCCH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 9 'GFT (4,3)D aliph. HCCH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 10 'GFT (4,3)D HABCAB(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16250 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 16250 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D sim. 15N,13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16250/timedomain_data/16250/simnoesy.fid/acqfil/ . . . . . . . 16250 1 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16250/timedomain_data/16250/simnoesy.fid/acqfil/ . . . . . . . 16250 1 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16250/timedomain_data/16250/simnoesy.fid/acqfil/ . . . . . . . 16250 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 16250 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16250 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16250 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16250 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 16250 _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' . . . 16250 1 2 '2D 1H-13C HSQC' . . . 16250 1 4 '3D sim. 15N,13C NOESY' . . . 16250 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $XEASY . . 16250 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 12 12 ALA H H 1 8.223 0.020 . 1 . . . . 12 ALA H . 16250 1 2 . 1 1 12 12 ALA HA H 1 4.220 0.020 . 1 . . . . 12 ALA HA . 16250 1 3 . 1 1 12 12 ALA HB1 H 1 1.321 0.020 . 1 . . . . 12 ALA HB1 . 16250 1 4 . 1 1 12 12 ALA HB2 H 1 1.321 0.020 . 1 . . . . 12 ALA HB2 . 16250 1 5 . 1 1 12 12 ALA HB3 H 1 1.321 0.020 . 1 . . . . 12 ALA HB3 . 16250 1 6 . 1 1 12 12 ALA CA C 13 52.323 0.400 . 1 . . . . 12 ALA CA . 16250 1 7 . 1 1 12 12 ALA CB C 13 19.015 0.400 . 1 . . . . 12 ALA CB . 16250 1 8 . 1 1 12 12 ALA N N 15 124.624 0.400 . 1 . . . . 12 ALA N . 16250 1 9 . 1 1 13 13 GLN H H 1 8.220 0.020 . 1 . . . . 13 GLN H . 16250 1 10 . 1 1 13 13 GLN HA H 1 4.292 0.020 . 1 . . . . 13 GLN HA . 16250 1 11 . 1 1 13 13 GLN HB2 H 1 1.969 0.020 . 2 . . . . 13 GLN HB2 . 16250 1 12 . 1 1 13 13 GLN HB3 H 1 1.897 0.020 . 2 . . . . 13 GLN HB3 . 16250 1 13 . 1 1 13 13 GLN CA C 13 55.457 0.400 . 1 . . . . 13 GLN CA . 16250 1 14 . 1 1 13 13 GLN CB C 13 29.804 0.400 . 1 . . . . 13 GLN CB . 16250 1 15 . 1 1 13 13 GLN N N 15 119.119 0.400 . 1 . . . . 13 GLN N . 16250 1 16 . 1 1 14 14 PHE H H 1 8.109 0.020 . 1 . . . . 14 PHE H . 16250 1 17 . 1 1 14 14 PHE HA H 1 4.559 0.020 . 1 . . . . 14 PHE HA . 16250 1 18 . 1 1 14 14 PHE HB2 H 1 2.952 0.020 . 2 . . . . 14 PHE HB2 . 16250 1 19 . 1 1 14 14 PHE HB3 H 1 2.941 0.020 . 2 . . . . 14 PHE HB3 . 16250 1 20 . 1 1 14 14 PHE CA C 13 58.250 0.400 . 1 . . . . 14 PHE CA . 16250 1 21 . 1 1 14 14 PHE CB C 13 39.950 0.400 . 1 . . . . 14 PHE CB . 16250 1 22 . 1 1 14 14 PHE N N 15 121.712 0.400 . 1 . . . . 14 PHE N . 16250 1 23 . 1 1 15 15 PRO HA H 1 4.492 0.020 . 1 . . . . 15 PRO HA . 16250 1 24 . 1 1 15 15 PRO HB2 H 1 2.228 0.020 . 2 . . . . 15 PRO HB2 . 16250 1 25 . 1 1 15 15 PRO HB3 H 1 1.890 0.020 . 2 . . . . 15 PRO HB3 . 16250 1 26 . 1 1 15 15 PRO HD2 H 1 3.728 0.020 . 2 . . . . 15 PRO HD2 . 16250 1 27 . 1 1 15 15 PRO HD3 H 1 3.525 0.020 . 2 . . . . 15 PRO HD3 . 16250 1 28 . 1 1 15 15 PRO HG2 H 1 1.954 0.020 . 2 . . . . 15 PRO HG2 . 16250 1 29 . 1 1 15 15 PRO HG3 H 1 1.951 0.020 . 2 . . . . 15 PRO HG3 . 16250 1 30 . 1 1 15 15 PRO CA C 13 63.047 0.400 . 1 . . . . 15 PRO CA . 16250 1 31 . 1 1 15 15 PRO CB C 13 31.810 0.400 . 1 . . . . 15 PRO CB . 16250 1 32 . 1 1 15 15 PRO CD C 13 50.354 0.400 . 1 . . . . 15 PRO CD . 16250 1 33 . 1 1 15 15 PRO CG C 13 27.140 0.400 . 1 . . . . 15 PRO CG . 16250 1 34 . 1 1 16 16 THR H H 1 8.197 0.020 . 1 . . . . 16 THR H . 16250 1 35 . 1 1 16 16 THR HA H 1 4.614 0.020 . 1 . . . . 16 THR HA . 16250 1 36 . 1 1 16 16 THR HB H 1 4.174 0.020 . 1 . . . . 16 THR HB . 16250 1 37 . 1 1 16 16 THR HG21 H 1 1.246 0.020 . 1 . . . . 16 THR HG21 . 16250 1 38 . 1 1 16 16 THR HG22 H 1 1.246 0.020 . 1 . . . . 16 THR HG22 . 16250 1 39 . 1 1 16 16 THR HG23 H 1 1.246 0.020 . 1 . . . . 16 THR HG23 . 16250 1 40 . 1 1 16 16 THR CA C 13 59.526 0.400 . 1 . . . . 16 THR CA . 16250 1 41 . 1 1 16 16 THR CB C 13 69.603 0.400 . 1 . . . . 16 THR CB . 16250 1 42 . 1 1 16 16 THR CG2 C 13 21.307 0.400 . 1 . . . . 16 THR CG2 . 16250 1 43 . 1 1 16 16 THR N N 15 115.700 0.400 . 1 . . . . 16 THR N . 16250 1 44 . 1 1 17 17 PRO HA H 1 4.360 0.020 . 1 . . . . 17 PRO HA . 16250 1 45 . 1 1 17 17 PRO HB2 H 1 2.151 0.020 . 2 . . . . 17 PRO HB2 . 16250 1 46 . 1 1 17 17 PRO HB3 H 1 1.639 0.020 . 2 . . . . 17 PRO HB3 . 16250 1 47 . 1 1 17 17 PRO HD2 H 1 3.788 0.020 . 2 . . . . 17 PRO HD2 . 16250 1 48 . 1 1 17 17 PRO HD3 H 1 3.621 0.020 . 2 . . . . 17 PRO HD3 . 16250 1 49 . 1 1 17 17 PRO HG2 H 1 1.882 0.020 . 2 . . . . 17 PRO HG2 . 16250 1 50 . 1 1 17 17 PRO HG3 H 1 1.822 0.020 . 2 . . . . 17 PRO HG3 . 16250 1 51 . 1 1 17 17 PRO CA C 13 63.321 0.400 . 1 . . . . 17 PRO CA . 16250 1 52 . 1 1 17 17 PRO CB C 13 31.680 0.400 . 1 . . . . 17 PRO CB . 16250 1 53 . 1 1 17 17 PRO CD C 13 50.797 0.400 . 1 . . . . 17 PRO CD . 16250 1 54 . 1 1 17 17 PRO CG C 13 27.154 0.400 . 1 . . . . 17 PRO CG . 16250 1 55 . 1 1 18 18 PHE H H 1 8.212 0.020 . 1 . . . . 18 PHE H . 16250 1 56 . 1 1 18 18 PHE HA H 1 4.589 0.020 . 1 . . . . 18 PHE HA . 16250 1 57 . 1 1 18 18 PHE HB2 H 1 3.126 0.020 . 2 . . . . 18 PHE HB2 . 16250 1 58 . 1 1 18 18 PHE HB3 H 1 3.012 0.020 . 2 . . . . 18 PHE HB3 . 16250 1 59 . 1 1 18 18 PHE HD1 H 1 7.208 0.020 . 1 . . . . 18 PHE HD1 . 16250 1 60 . 1 1 18 18 PHE HD2 H 1 7.208 0.020 . 1 . . . . 18 PHE HD2 . 16250 1 61 . 1 1 18 18 PHE HE1 H 1 7.245 0.020 . 1 . . . . 18 PHE HE1 . 16250 1 62 . 1 1 18 18 PHE HE2 H 1 7.245 0.020 . 1 . . . . 18 PHE HE2 . 16250 1 63 . 1 1 18 18 PHE HZ H 1 7.645 0.020 . 1 . . . . 18 PHE HZ . 16250 1 64 . 1 1 18 18 PHE CA C 13 57.648 0.400 . 1 . . . . 18 PHE CA . 16250 1 65 . 1 1 18 18 PHE CB C 13 39.165 0.400 . 1 . . . . 18 PHE CB . 16250 1 66 . 1 1 18 18 PHE CD1 C 13 131.723 0.400 . 1 . . . . 18 PHE CD1 . 16250 1 67 . 1 1 18 18 PHE CE1 C 13 130.480 0.400 . 1 . . . . 18 PHE CE1 . 16250 1 68 . 1 1 18 18 PHE CZ C 13 131.763 0.400 . 1 . . . . 18 PHE CZ . 16250 1 69 . 1 1 18 18 PHE N N 15 119.185 0.400 . 1 . . . . 18 PHE N . 16250 1 70 . 1 1 19 19 GLY H H 1 8.250 0.020 . 1 . . . . 19 GLY H . 16250 1 71 . 1 1 19 19 GLY HA2 H 1 3.943 0.020 . 2 . . . . 19 GLY HA2 . 16250 1 72 . 1 1 19 19 GLY HA3 H 1 3.935 0.020 . 2 . . . . 19 GLY HA3 . 16250 1 73 . 1 1 19 19 GLY CA C 13 45.100 0.400 . 1 . . . . 19 GLY CA . 16250 1 74 . 1 1 19 19 GLY N N 15 110.566 0.400 . 1 . . . . 19 GLY N . 16250 1 75 . 1 1 20 20 GLY H H 1 7.873 0.020 . 1 . . . . 20 GLY H . 16250 1 76 . 1 1 20 20 GLY HA2 H 1 3.964 0.020 . 2 . . . . 20 GLY HA2 . 16250 1 77 . 1 1 20 20 GLY HA3 H 1 3.955 0.020 . 2 . . . . 20 GLY HA3 . 16250 1 78 . 1 1 20 20 GLY CA C 13 45.056 0.400 . 1 . . . . 20 GLY CA . 16250 1 79 . 1 1 20 20 GLY N N 15 108.171 0.400 . 1 . . . . 20 GLY N . 16250 1 80 . 1 1 21 21 SER H H 1 8.274 0.020 . 1 . . . . 21 SER H . 16250 1 81 . 1 1 21 21 SER HA H 1 4.523 0.020 . 1 . . . . 21 SER HA . 16250 1 82 . 1 1 21 21 SER HB2 H 1 3.926 0.020 . 2 . . . . 21 SER HB2 . 16250 1 83 . 1 1 21 21 SER HB3 H 1 3.878 0.020 . 2 . . . . 21 SER HB3 . 16250 1 84 . 1 1 21 21 SER CA C 13 57.951 0.400 . 1 . . . . 21 SER CA . 16250 1 85 . 1 1 21 21 SER CB C 13 63.946 0.400 . 1 . . . . 21 SER CB . 16250 1 86 . 1 1 21 21 SER N N 15 115.180 0.400 . 1 . . . . 21 SER N . 16250 1 87 . 1 1 22 22 LEU H H 1 8.435 0.020 . 1 . . . . 22 LEU H . 16250 1 88 . 1 1 22 22 LEU HA H 1 4.302 0.020 . 1 . . . . 22 LEU HA . 16250 1 89 . 1 1 22 22 LEU HB2 H 1 1.623 0.020 . 2 . . . . 22 LEU HB2 . 16250 1 90 . 1 1 22 22 LEU HB3 H 1 1.576 0.020 . 2 . . . . 22 LEU HB3 . 16250 1 91 . 1 1 22 22 LEU HD11 H 1 0.855 0.020 . 2 . . . . 22 LEU HD11 . 16250 1 92 . 1 1 22 22 LEU HD12 H 1 0.855 0.020 . 2 . . . . 22 LEU HD12 . 16250 1 93 . 1 1 22 22 LEU HD13 H 1 0.855 0.020 . 2 . . . . 22 LEU HD13 . 16250 1 94 . 1 1 22 22 LEU HD21 H 1 0.786 0.020 . 2 . . . . 22 LEU HD21 . 16250 1 95 . 1 1 22 22 LEU HD22 H 1 0.786 0.020 . 2 . . . . 22 LEU HD22 . 16250 1 96 . 1 1 22 22 LEU HD23 H 1 0.786 0.020 . 2 . . . . 22 LEU HD23 . 16250 1 97 . 1 1 22 22 LEU HG H 1 1.540 0.020 . 1 . . . . 22 LEU HG . 16250 1 98 . 1 1 22 22 LEU CA C 13 55.846 0.400 . 1 . . . . 22 LEU CA . 16250 1 99 . 1 1 22 22 LEU CB C 13 42.229 0.400 . 1 . . . . 22 LEU CB . 16250 1 100 . 1 1 22 22 LEU CD1 C 13 24.730 0.400 . 1 . . . . 22 LEU CD1 . 16250 1 101 . 1 1 22 22 LEU CD2 C 13 23.661 0.400 . 1 . . . . 22 LEU CD2 . 16250 1 102 . 1 1 22 22 LEU CG C 13 26.291 0.400 . 1 . . . . 22 LEU CG . 16250 1 103 . 1 1 22 22 LEU N N 15 123.998 0.400 . 1 . . . . 22 LEU N . 16250 1 104 . 1 1 23 23 ASP H H 1 8.291 0.020 . 1 . . . . 23 ASP H . 16250 1 105 . 1 1 23 23 ASP HA H 1 4.494 0.020 . 1 . . . . 23 ASP HA . 16250 1 106 . 1 1 23 23 ASP HB2 H 1 2.671 0.020 . 2 . . . . 23 ASP HB2 . 16250 1 107 . 1 1 23 23 ASP HB3 H 1 2.599 0.020 . 2 . . . . 23 ASP HB3 . 16250 1 108 . 1 1 23 23 ASP CA C 13 54.981 0.400 . 1 . . . . 23 ASP CA . 16250 1 109 . 1 1 23 23 ASP CB C 13 41.190 0.400 . 1 . . . . 23 ASP CB . 16250 1 110 . 1 1 23 23 ASP N N 15 120.385 0.400 . 1 . . . . 23 ASP N . 16250 1 111 . 1 1 24 24 THR H H 1 8.010 0.020 . 1 . . . . 24 THR H . 16250 1 112 . 1 1 24 24 THR HA H 1 3.770 0.020 . 1 . . . . 24 THR HA . 16250 1 113 . 1 1 24 24 THR HB H 1 3.690 0.020 . 1 . . . . 24 THR HB . 16250 1 114 . 1 1 24 24 THR HG21 H 1 0.465 0.020 . 1 . . . . 24 THR HG21 . 16250 1 115 . 1 1 24 24 THR HG22 H 1 0.465 0.020 . 1 . . . . 24 THR HG22 . 16250 1 116 . 1 1 24 24 THR HG23 H 1 0.465 0.020 . 1 . . . . 24 THR HG23 . 16250 1 117 . 1 1 24 24 THR CA C 13 64.590 0.400 . 1 . . . . 24 THR CA . 16250 1 118 . 1 1 24 24 THR CB C 13 69.620 0.400 . 1 . . . . 24 THR CB . 16250 1 119 . 1 1 24 24 THR CG2 C 13 21.036 0.400 . 1 . . . . 24 THR CG2 . 16250 1 120 . 1 1 24 24 THR N N 15 117.799 0.400 . 1 . . . . 24 THR N . 16250 1 121 . 1 1 25 25 TRP H H 1 7.780 0.020 . 1 . . . . 25 TRP H . 16250 1 122 . 1 1 25 25 TRP HA H 1 4.012 0.020 . 1 . . . . 25 TRP HA . 16250 1 123 . 1 1 25 25 TRP HB2 H 1 3.371 0.020 . 2 . . . . 25 TRP HB2 . 16250 1 124 . 1 1 25 25 TRP HB3 H 1 2.873 0.020 . 2 . . . . 25 TRP HB3 . 16250 1 125 . 1 1 25 25 TRP HD1 H 1 7.304 0.020 . 1 . . . . 25 TRP HD1 . 16250 1 126 . 1 1 25 25 TRP HE1 H 1 9.986 0.020 . 1 . . . . 25 TRP HE1 . 16250 1 127 . 1 1 25 25 TRP HE3 H 1 7.170 0.020 . 1 . . . . 25 TRP HE3 . 16250 1 128 . 1 1 25 25 TRP HH2 H 1 7.272 0.020 . 1 . . . . 25 TRP HH2 . 16250 1 129 . 1 1 25 25 TRP HZ2 H 1 7.490 0.020 . 1 . . . . 25 TRP HZ2 . 16250 1 130 . 1 1 25 25 TRP HZ3 H 1 6.706 0.020 . 1 . . . . 25 TRP HZ3 . 16250 1 131 . 1 1 25 25 TRP CA C 13 57.837 0.400 . 1 . . . . 25 TRP CA . 16250 1 132 . 1 1 25 25 TRP CB C 13 28.842 0.400 . 1 . . . . 25 TRP CB . 16250 1 133 . 1 1 25 25 TRP CD1 C 13 127.360 0.400 . 1 . . . . 25 TRP CD1 . 16250 1 134 . 1 1 25 25 TRP CE3 C 13 120.380 0.400 . 1 . . . . 25 TRP CE3 . 16250 1 135 . 1 1 25 25 TRP CH2 C 13 123.832 0.400 . 1 . . . . 25 TRP CH2 . 16250 1 136 . 1 1 25 25 TRP CZ2 C 13 114.190 0.400 . 1 . . . . 25 TRP CZ2 . 16250 1 137 . 1 1 25 25 TRP CZ3 C 13 120.789 0.400 . 1 . . . . 25 TRP CZ3 . 16250 1 138 . 1 1 25 25 TRP N N 15 118.659 0.400 . 1 . . . . 25 TRP N . 16250 1 139 . 1 1 25 25 TRP NE1 N 15 127.944 0.400 . 1 . . . . 25 TRP NE1 . 16250 1 140 . 1 1 26 26 ALA H H 1 7.101 0.020 . 1 . . . . 26 ALA H . 16250 1 141 . 1 1 26 26 ALA HA H 1 3.949 0.020 . 1 . . . . 26 ALA HA . 16250 1 142 . 1 1 26 26 ALA HB1 H 1 1.310 0.020 . 1 . . . . 26 ALA HB1 . 16250 1 143 . 1 1 26 26 ALA HB2 H 1 1.310 0.020 . 1 . . . . 26 ALA HB2 . 16250 1 144 . 1 1 26 26 ALA HB3 H 1 1.310 0.020 . 1 . . . . 26 ALA HB3 . 16250 1 145 . 1 1 26 26 ALA CA C 13 52.102 0.400 . 1 . . . . 26 ALA CA . 16250 1 146 . 1 1 26 26 ALA CB C 13 18.840 0.400 . 1 . . . . 26 ALA CB . 16250 1 147 . 1 1 26 26 ALA N N 15 117.054 0.400 . 1 . . . . 26 ALA N . 16250 1 148 . 1 1 27 27 ILE H H 1 8.687 0.020 . 1 . . . . 27 ILE H . 16250 1 149 . 1 1 27 27 ILE HA H 1 4.332 0.020 . 1 . . . . 27 ILE HA . 16250 1 150 . 1 1 27 27 ILE HB H 1 1.813 0.020 . 1 . . . . 27 ILE HB . 16250 1 151 . 1 1 27 27 ILE HD11 H 1 1.116 0.020 . 1 . . . . 27 ILE HD11 . 16250 1 152 . 1 1 27 27 ILE HD12 H 1 1.116 0.020 . 1 . . . . 27 ILE HD12 . 16250 1 153 . 1 1 27 27 ILE HD13 H 1 1.116 0.020 . 1 . . . . 27 ILE HD13 . 16250 1 154 . 1 1 27 27 ILE HG12 H 1 1.945 0.020 . 2 . . . . 27 ILE HG12 . 16250 1 155 . 1 1 27 27 ILE HG13 H 1 0.825 0.020 . 2 . . . . 27 ILE HG13 . 16250 1 156 . 1 1 27 27 ILE HG21 H 1 1.116 0.020 . 1 . . . . 27 ILE HG21 . 16250 1 157 . 1 1 27 27 ILE HG22 H 1 1.116 0.020 . 1 . . . . 27 ILE HG22 . 16250 1 158 . 1 1 27 27 ILE HG23 H 1 1.116 0.020 . 1 . . . . 27 ILE HG23 . 16250 1 159 . 1 1 27 27 ILE CA C 13 61.430 0.400 . 1 . . . . 27 ILE CA . 16250 1 160 . 1 1 27 27 ILE CB C 13 38.550 0.400 . 1 . . . . 27 ILE CB . 16250 1 161 . 1 1 27 27 ILE CD1 C 13 14.225 0.400 . 1 . . . . 27 ILE CD1 . 16250 1 162 . 1 1 27 27 ILE CG1 C 13 30.205 0.400 . 1 . . . . 27 ILE CG1 . 16250 1 163 . 1 1 27 27 ILE CG2 C 13 18.796 0.400 . 1 . . . . 27 ILE CG2 . 16250 1 164 . 1 1 27 27 ILE N N 15 125.107 0.400 . 1 . . . . 27 ILE N . 16250 1 165 . 1 1 28 28 THR H H 1 8.981 0.020 . 1 . . . . 28 THR H . 16250 1 166 . 1 1 28 28 THR HA H 1 4.760 0.020 . 1 . . . . 28 THR HA . 16250 1 167 . 1 1 28 28 THR HB H 1 4.768 0.020 . 1 . . . . 28 THR HB . 16250 1 168 . 1 1 28 28 THR HG21 H 1 1.218 0.020 . 1 . . . . 28 THR HG21 . 16250 1 169 . 1 1 28 28 THR HG22 H 1 1.218 0.020 . 1 . . . . 28 THR HG22 . 16250 1 170 . 1 1 28 28 THR HG23 H 1 1.218 0.020 . 1 . . . . 28 THR HG23 . 16250 1 171 . 1 1 28 28 THR CA C 13 60.685 0.400 . 1 . . . . 28 THR CA . 16250 1 172 . 1 1 28 28 THR CB C 13 71.252 0.400 . 1 . . . . 28 THR CB . 16250 1 173 . 1 1 28 28 THR CG2 C 13 21.440 0.400 . 1 . . . . 28 THR CG2 . 16250 1 174 . 1 1 28 28 THR N N 15 118.938 0.400 . 1 . . . . 28 THR N . 16250 1 175 . 1 1 29 29 VAL H H 1 8.612 0.020 . 1 . . . . 29 VAL H . 16250 1 176 . 1 1 29 29 VAL HA H 1 3.532 0.020 . 1 . . . . 29 VAL HA . 16250 1 177 . 1 1 29 29 VAL HB H 1 2.018 0.020 . 1 . . . . 29 VAL HB . 16250 1 178 . 1 1 29 29 VAL HG11 H 1 0.947 0.020 . 2 . . . . 29 VAL HG11 . 16250 1 179 . 1 1 29 29 VAL HG12 H 1 0.947 0.020 . 2 . . . . 29 VAL HG12 . 16250 1 180 . 1 1 29 29 VAL HG13 H 1 0.947 0.020 . 2 . . . . 29 VAL HG13 . 16250 1 181 . 1 1 29 29 VAL HG21 H 1 0.927 0.020 . 2 . . . . 29 VAL HG21 . 16250 1 182 . 1 1 29 29 VAL HG22 H 1 0.927 0.020 . 2 . . . . 29 VAL HG22 . 16250 1 183 . 1 1 29 29 VAL HG23 H 1 0.927 0.020 . 2 . . . . 29 VAL HG23 . 16250 1 184 . 1 1 29 29 VAL CA C 13 66.349 0.400 . 1 . . . . 29 VAL CA . 16250 1 185 . 1 1 29 29 VAL CB C 13 31.799 0.400 . 1 . . . . 29 VAL CB . 16250 1 186 . 1 1 29 29 VAL CG1 C 13 20.665 0.400 . 1 . . . . 29 VAL CG1 . 16250 1 187 . 1 1 29 29 VAL CG2 C 13 20.677 0.400 . 1 . . . . 29 VAL CG2 . 16250 1 188 . 1 1 29 29 VAL N N 15 119.411 0.400 . 1 . . . . 29 VAL N . 16250 1 189 . 1 1 30 30 GLU H H 1 8.432 0.020 . 1 . . . . 30 GLU H . 16250 1 190 . 1 1 30 30 GLU HA H 1 4.011 0.020 . 1 . . . . 30 GLU HA . 16250 1 191 . 1 1 30 30 GLU HB2 H 1 2.009 0.020 . 2 . . . . 30 GLU HB2 . 16250 1 192 . 1 1 30 30 GLU HB3 H 1 1.886 0.020 . 2 . . . . 30 GLU HB3 . 16250 1 193 . 1 1 30 30 GLU HG2 H 1 2.305 0.020 . 2 . . . . 30 GLU HG2 . 16250 1 194 . 1 1 30 30 GLU HG3 H 1 2.270 0.020 . 2 . . . . 30 GLU HG3 . 16250 1 195 . 1 1 30 30 GLU CA C 13 59.597 0.400 . 1 . . . . 30 GLU CA . 16250 1 196 . 1 1 30 30 GLU CB C 13 28.912 0.400 . 1 . . . . 30 GLU CB . 16250 1 197 . 1 1 30 30 GLU CG C 13 36.777 0.400 . 1 . . . . 30 GLU CG . 16250 1 198 . 1 1 30 30 GLU N N 15 119.890 0.400 . 1 . . . . 30 GLU N . 16250 1 199 . 1 1 31 31 GLU H H 1 7.737 0.020 . 1 . . . . 31 GLU H . 16250 1 200 . 1 1 31 31 GLU HA H 1 3.604 0.020 . 1 . . . . 31 GLU HA . 16250 1 201 . 1 1 31 31 GLU HB2 H 1 1.469 0.020 . 2 . . . . 31 GLU HB2 . 16250 1 202 . 1 1 31 31 GLU HB3 H 1 1.466 0.020 . 2 . . . . 31 GLU HB3 . 16250 1 203 . 1 1 31 31 GLU HG2 H 1 2.071 0.020 . 2 . . . . 31 GLU HG2 . 16250 1 204 . 1 1 31 31 GLU HG3 H 1 2.341 0.020 . 2 . . . . 31 GLU HG3 . 16250 1 205 . 1 1 31 31 GLU CA C 13 58.718 0.400 . 1 . . . . 31 GLU CA . 16250 1 206 . 1 1 31 31 GLU CB C 13 30.666 0.400 . 1 . . . . 31 GLU CB . 16250 1 207 . 1 1 31 31 GLU CG C 13 37.524 0.400 . 1 . . . . 31 GLU CG . 16250 1 208 . 1 1 31 31 GLU N N 15 120.821 0.400 . 1 . . . . 31 GLU N . 16250 1 209 . 1 1 32 32 ARG H H 1 8.382 0.020 . 1 . . . . 32 ARG H . 16250 1 210 . 1 1 32 32 ARG HA H 1 3.998 0.020 . 1 . . . . 32 ARG HA . 16250 1 211 . 1 1 32 32 ARG HB2 H 1 1.889 0.020 . 2 . . . . 32 ARG HB2 . 16250 1 212 . 1 1 32 32 ARG HB3 H 1 1.764 0.020 . 2 . . . . 32 ARG HB3 . 16250 1 213 . 1 1 32 32 ARG CA C 13 57.356 0.400 . 1 . . . . 32 ARG CA . 16250 1 214 . 1 1 32 32 ARG CB C 13 28.870 0.400 . 1 . . . . 32 ARG CB . 16250 1 215 . 1 1 32 32 ARG N N 15 117.523 0.400 . 1 . . . . 32 ARG N . 16250 1 216 . 1 1 33 33 ALA H H 1 7.919 0.020 . 1 . . . . 33 ALA H . 16250 1 217 . 1 1 33 33 ALA HA H 1 4.248 0.020 . 1 . . . . 33 ALA HA . 16250 1 218 . 1 1 33 33 ALA HB1 H 1 1.458 0.020 . 1 . . . . 33 ALA HB1 . 16250 1 219 . 1 1 33 33 ALA HB2 H 1 1.458 0.020 . 1 . . . . 33 ALA HB2 . 16250 1 220 . 1 1 33 33 ALA HB3 H 1 1.458 0.020 . 1 . . . . 33 ALA HB3 . 16250 1 221 . 1 1 33 33 ALA CA C 13 55.007 0.400 . 1 . . . . 33 ALA CA . 16250 1 222 . 1 1 33 33 ALA CB C 13 17.601 0.400 . 1 . . . . 33 ALA CB . 16250 1 223 . 1 1 33 33 ALA N N 15 119.982 0.400 . 1 . . . . 33 ALA N . 16250 1 224 . 1 1 34 34 LYS H H 1 7.212 0.020 . 1 . . . . 34 LYS H . 16250 1 225 . 1 1 34 34 LYS HA H 1 4.194 0.020 . 1 . . . . 34 LYS HA . 16250 1 226 . 1 1 34 34 LYS HB2 H 1 1.980 0.020 . 2 . . . . 34 LYS HB2 . 16250 1 227 . 1 1 34 34 LYS HB3 H 1 1.922 0.020 . 2 . . . . 34 LYS HB3 . 16250 1 228 . 1 1 34 34 LYS HD2 H 1 1.752 0.020 . 2 . . . . 34 LYS HD2 . 16250 1 229 . 1 1 34 34 LYS HD3 H 1 1.743 0.020 . 2 . . . . 34 LYS HD3 . 16250 1 230 . 1 1 34 34 LYS HE2 H 1 3.007 0.020 . 2 . . . . 34 LYS HE2 . 16250 1 231 . 1 1 34 34 LYS HE3 H 1 3.004 0.020 . 2 . . . . 34 LYS HE3 . 16250 1 232 . 1 1 34 34 LYS HG2 H 1 1.578 0.020 . 2 . . . . 34 LYS HG2 . 16250 1 233 . 1 1 34 34 LYS HG3 H 1 1.516 0.020 . 2 . . . . 34 LYS HG3 . 16250 1 234 . 1 1 34 34 LYS CA C 13 58.852 0.400 . 1 . . . . 34 LYS CA . 16250 1 235 . 1 1 34 34 LYS CB C 13 31.598 0.400 . 1 . . . . 34 LYS CB . 16250 1 236 . 1 1 34 34 LYS CD C 13 28.780 0.400 . 1 . . . . 34 LYS CD . 16250 1 237 . 1 1 34 34 LYS CE C 13 42.087 0.400 . 1 . . . . 34 LYS CE . 16250 1 238 . 1 1 34 34 LYS CG C 13 24.545 0.400 . 1 . . . . 34 LYS CG . 16250 1 239 . 1 1 34 34 LYS N N 15 119.567 0.400 . 1 . . . . 34 LYS N . 16250 1 240 . 1 1 35 35 HIS H H 1 8.814 0.020 . 1 . . . . 35 HIS H . 16250 1 241 . 1 1 35 35 HIS HA H 1 4.923 0.020 . 1 . . . . 35 HIS HA . 16250 1 242 . 1 1 35 35 HIS HB2 H 1 3.583 0.020 . 2 . . . . 35 HIS HB2 . 16250 1 243 . 1 1 35 35 HIS HB3 H 1 3.490 0.020 . 2 . . . . 35 HIS HB3 . 16250 1 244 . 1 1 35 35 HIS CA C 13 57.821 0.400 . 1 . . . . 35 HIS CA . 16250 1 245 . 1 1 35 35 HIS CB C 13 29.950 0.400 . 1 . . . . 35 HIS CB . 16250 1 246 . 1 1 35 35 HIS N N 15 122.252 0.400 . 1 . . . . 35 HIS N . 16250 1 247 . 1 1 36 36 ASP H H 1 9.292 0.020 . 1 . . . . 36 ASP H . 16250 1 248 . 1 1 36 36 ASP HA H 1 4.454 0.020 . 1 . . . . 36 ASP HA . 16250 1 249 . 1 1 36 36 ASP HB2 H 1 2.890 0.020 . 2 . . . . 36 ASP HB2 . 16250 1 250 . 1 1 36 36 ASP HB3 H 1 2.650 0.020 . 2 . . . . 36 ASP HB3 . 16250 1 251 . 1 1 36 36 ASP CA C 13 57.305 0.400 . 1 . . . . 36 ASP CA . 16250 1 252 . 1 1 36 36 ASP CB C 13 39.889 0.400 . 1 . . . . 36 ASP CB . 16250 1 253 . 1 1 36 36 ASP N N 15 118.831 0.400 . 1 . . . . 36 ASP N . 16250 1 254 . 1 1 37 37 GLN H H 1 7.673 0.020 . 1 . . . . 37 GLN H . 16250 1 255 . 1 1 37 37 GLN HA H 1 4.241 0.020 . 1 . . . . 37 GLN HA . 16250 1 256 . 1 1 37 37 GLN HB2 H 1 2.371 0.020 . 2 . . . . 37 GLN HB2 . 16250 1 257 . 1 1 37 37 GLN HB3 H 1 2.360 0.020 . 2 . . . . 37 GLN HB3 . 16250 1 258 . 1 1 37 37 GLN HE21 H 1 7.170 0.020 . 2 . . . . 37 GLN HE21 . 16250 1 259 . 1 1 37 37 GLN HE22 H 1 7.070 0.020 . 2 . . . . 37 GLN HE22 . 16250 1 260 . 1 1 37 37 GLN HG2 H 1 2.662 0.020 . 2 . . . . 37 GLN HG2 . 16250 1 261 . 1 1 37 37 GLN HG3 H 1 2.474 0.020 . 2 . . . . 37 GLN HG3 . 16250 1 262 . 1 1 37 37 GLN CA C 13 59.019 0.400 . 1 . . . . 37 GLN CA . 16250 1 263 . 1 1 37 37 GLN CB C 13 28.315 0.400 . 1 . . . . 37 GLN CB . 16250 1 264 . 1 1 37 37 GLN CG C 13 33.720 0.400 . 1 . . . . 37 GLN CG . 16250 1 265 . 1 1 37 37 GLN N N 15 120.072 0.400 . 1 . . . . 37 GLN N . 16250 1 266 . 1 1 38 38 GLN H H 1 8.329 0.020 . 1 . . . . 38 GLN H . 16250 1 267 . 1 1 38 38 GLN HA H 1 4.040 0.020 . 1 . . . . 38 GLN HA . 16250 1 268 . 1 1 38 38 GLN HB2 H 1 2.872 0.020 . 2 . . . . 38 GLN HB2 . 16250 1 269 . 1 1 38 38 GLN HB3 H 1 2.145 0.020 . 2 . . . . 38 GLN HB3 . 16250 1 270 . 1 1 38 38 GLN HE21 H 1 7.276 0.020 . 2 . . . . 38 GLN HE21 . 16250 1 271 . 1 1 38 38 GLN HE22 H 1 6.896 0.020 . 2 . . . . 38 GLN HE22 . 16250 1 272 . 1 1 38 38 GLN HG2 H 1 2.643 0.020 . 2 . . . . 38 GLN HG2 . 16250 1 273 . 1 1 38 38 GLN HG3 H 1 2.578 0.020 . 2 . . . . 38 GLN HG3 . 16250 1 274 . 1 1 38 38 GLN CA C 13 58.734 0.400 . 1 . . . . 38 GLN CA . 16250 1 275 . 1 1 38 38 GLN CB C 13 28.549 0.400 . 1 . . . . 38 GLN CB . 16250 1 276 . 1 1 38 38 GLN CG C 13 35.038 0.400 . 1 . . . . 38 GLN CG . 16250 1 277 . 1 1 38 38 GLN N N 15 120.847 0.400 . 1 . . . . 38 GLN N . 16250 1 278 . 1 1 38 38 GLN NE2 N 15 109.968 0.400 . 1 . . . . 38 GLN NE2 . 16250 1 279 . 1 1 39 39 PHE H H 1 9.453 0.020 . 1 . . . . 39 PHE H . 16250 1 280 . 1 1 39 39 PHE HA H 1 2.811 0.020 . 1 . . . . 39 PHE HA . 16250 1 281 . 1 1 39 39 PHE HB2 H 1 2.983 0.020 . 2 . . . . 39 PHE HB2 . 16250 1 282 . 1 1 39 39 PHE HB3 H 1 2.937 0.020 . 2 . . . . 39 PHE HB3 . 16250 1 283 . 1 1 39 39 PHE HD1 H 1 6.263 0.020 . 1 . . . . 39 PHE HD1 . 16250 1 284 . 1 1 39 39 PHE HE1 H 1 6.793 0.020 . 1 . . . . 39 PHE HE1 . 16250 1 285 . 1 1 39 39 PHE HZ H 1 7.130 0.020 . 1 . . . . 39 PHE HZ . 16250 1 286 . 1 1 39 39 PHE CA C 13 61.602 0.400 . 1 . . . . 39 PHE CA . 16250 1 287 . 1 1 39 39 PHE CB C 13 38.799 0.400 . 1 . . . . 39 PHE CB . 16250 1 288 . 1 1 39 39 PHE CD1 C 13 130.876 0.400 . 1 . . . . 39 PHE CD1 . 16250 1 289 . 1 1 39 39 PHE CE1 C 13 131.308 0.400 . 1 . . . . 39 PHE CE1 . 16250 1 290 . 1 1 39 39 PHE CZ C 13 129.110 0.400 . 1 . . . . 39 PHE CZ . 16250 1 291 . 1 1 39 39 PHE N N 15 123.507 0.400 . 1 . . . . 39 PHE N . 16250 1 292 . 1 1 40 40 HIS H H 1 8.096 0.020 . 1 . . . . 40 HIS H . 16250 1 293 . 1 1 40 40 HIS HA H 1 3.884 0.020 . 1 . . . . 40 HIS HA . 16250 1 294 . 1 1 40 40 HIS HB2 H 1 3.215 0.020 . 2 . . . . 40 HIS HB2 . 16250 1 295 . 1 1 40 40 HIS HB3 H 1 3.207 0.020 . 2 . . . . 40 HIS HB3 . 16250 1 296 . 1 1 40 40 HIS HD2 H 1 7.136 0.020 . 1 . . . . 40 HIS HD2 . 16250 1 297 . 1 1 40 40 HIS CA C 13 59.910 0.400 . 1 . . . . 40 HIS CA . 16250 1 298 . 1 1 40 40 HIS CB C 13 29.558 0.400 . 1 . . . . 40 HIS CB . 16250 1 299 . 1 1 40 40 HIS CD2 C 13 120.385 0.400 . 1 . . . . 40 HIS CD2 . 16250 1 300 . 1 1 40 40 HIS N N 15 114.319 0.400 . 1 . . . . 40 HIS N . 16250 1 301 . 1 1 41 41 SER H H 1 7.818 0.020 . 1 . . . . 41 SER H . 16250 1 302 . 1 1 41 41 SER HA H 1 4.300 0.020 . 1 . . . . 41 SER HA . 16250 1 303 . 1 1 41 41 SER HB2 H 1 4.038 0.020 . 2 . . . . 41 SER HB2 . 16250 1 304 . 1 1 41 41 SER HB3 H 1 4.011 0.020 . 2 . . . . 41 SER HB3 . 16250 1 305 . 1 1 41 41 SER CA C 13 60.851 0.400 . 1 . . . . 41 SER CA . 16250 1 306 . 1 1 41 41 SER CB C 13 62.612 0.400 . 1 . . . . 41 SER CB . 16250 1 307 . 1 1 41 41 SER N N 15 116.677 0.400 . 1 . . . . 41 SER N . 16250 1 308 . 1 1 42 42 LEU H H 1 7.079 0.020 . 1 . . . . 42 LEU H . 16250 1 309 . 1 1 42 42 LEU HA H 1 4.071 0.020 . 1 . . . . 42 LEU HA . 16250 1 310 . 1 1 42 42 LEU HB2 H 1 1.419 0.020 . 2 . . . . 42 LEU HB2 . 16250 1 311 . 1 1 42 42 LEU HB3 H 1 1.114 0.020 . 2 . . . . 42 LEU HB3 . 16250 1 312 . 1 1 42 42 LEU HD11 H 1 0.561 0.020 . 2 . . . . 42 LEU HD11 . 16250 1 313 . 1 1 42 42 LEU HD12 H 1 0.561 0.020 . 2 . . . . 42 LEU HD12 . 16250 1 314 . 1 1 42 42 LEU HD13 H 1 0.561 0.020 . 2 . . . . 42 LEU HD13 . 16250 1 315 . 1 1 42 42 LEU HD21 H 1 0.155 0.020 . 2 . . . . 42 LEU HD21 . 16250 1 316 . 1 1 42 42 LEU HD22 H 1 0.155 0.020 . 2 . . . . 42 LEU HD22 . 16250 1 317 . 1 1 42 42 LEU HD23 H 1 0.155 0.020 . 2 . . . . 42 LEU HD23 . 16250 1 318 . 1 1 42 42 LEU HG H 1 1.311 0.020 . 1 . . . . 42 LEU HG . 16250 1 319 . 1 1 42 42 LEU CA C 13 54.685 0.400 . 1 . . . . 42 LEU CA . 16250 1 320 . 1 1 42 42 LEU CB C 13 40.874 0.400 . 1 . . . . 42 LEU CB . 16250 1 321 . 1 1 42 42 LEU CD1 C 13 21.931 0.400 . 1 . . . . 42 LEU CD1 . 16250 1 322 . 1 1 42 42 LEU CD2 C 13 25.850 0.400 . 1 . . . . 42 LEU CD2 . 16250 1 323 . 1 1 42 42 LEU CG C 13 25.843 0.400 . 1 . . . . 42 LEU CG . 16250 1 324 . 1 1 42 42 LEU N N 15 121.868 0.400 . 1 . . . . 42 LEU N . 16250 1 325 . 1 1 43 43 LYS H H 1 7.345 0.020 . 1 . . . . 43 LYS H . 16250 1 326 . 1 1 43 43 LYS HA H 1 3.877 0.020 . 1 . . . . 43 LYS HA . 16250 1 327 . 1 1 43 43 LYS HB2 H 1 1.671 0.020 . 2 . . . . 43 LYS HB2 . 16250 1 328 . 1 1 43 43 LYS HB3 H 1 1.614 0.020 . 2 . . . . 43 LYS HB3 . 16250 1 329 . 1 1 43 43 LYS HD2 H 1 1.610 0.020 . 2 . . . . 43 LYS HD2 . 16250 1 330 . 1 1 43 43 LYS HD3 H 1 1.665 0.020 . 2 . . . . 43 LYS HD3 . 16250 1 331 . 1 1 43 43 LYS HE2 H 1 2.977 0.020 . 2 . . . . 43 LYS HE2 . 16250 1 332 . 1 1 43 43 LYS HE3 H 1 2.981 0.020 . 2 . . . . 43 LYS HE3 . 16250 1 333 . 1 1 43 43 LYS HG2 H 1 1.278 0.020 . 2 . . . . 43 LYS HG2 . 16250 1 334 . 1 1 43 43 LYS HG3 H 1 1.258 0.020 . 2 . . . . 43 LYS HG3 . 16250 1 335 . 1 1 43 43 LYS CA C 13 56.035 0.400 . 1 . . . . 43 LYS CA . 16250 1 336 . 1 1 43 43 LYS CB C 13 28.886 0.400 . 1 . . . . 43 LYS CB . 16250 1 337 . 1 1 43 43 LYS CD C 13 28.546 0.400 . 1 . . . . 43 LYS CD . 16250 1 338 . 1 1 43 43 LYS CE C 13 42.039 0.400 . 1 . . . . 43 LYS CE . 16250 1 339 . 1 1 43 43 LYS CG C 13 24.100 0.400 . 1 . . . . 43 LYS CG . 16250 1 340 . 1 1 43 43 LYS N N 15 110.393 0.400 . 1 . . . . 43 LYS N . 16250 1 341 . 1 1 44 44 PRO HA H 1 4.239 0.020 . 1 . . . . 44 PRO HA . 16250 1 342 . 1 1 44 44 PRO HB2 H 1 1.432 0.020 . 2 . . . . 44 PRO HB2 . 16250 1 343 . 1 1 44 44 PRO HB3 H 1 1.219 0.020 . 2 . . . . 44 PRO HB3 . 16250 1 344 . 1 1 44 44 PRO HD2 H 1 3.415 0.020 . 2 . . . . 44 PRO HD2 . 16250 1 345 . 1 1 44 44 PRO HD3 H 1 3.223 0.020 . 2 . . . . 44 PRO HD3 . 16250 1 346 . 1 1 44 44 PRO HG2 H 1 1.669 0.020 . 2 . . . . 44 PRO HG2 . 16250 1 347 . 1 1 44 44 PRO HG3 H 1 1.659 0.020 . 2 . . . . 44 PRO HG3 . 16250 1 348 . 1 1 44 44 PRO CA C 13 62.424 0.400 . 1 . . . . 44 PRO CA . 16250 1 349 . 1 1 44 44 PRO CB C 13 32.413 0.400 . 1 . . . . 44 PRO CB . 16250 1 350 . 1 1 44 44 PRO CD C 13 50.357 0.400 . 1 . . . . 44 PRO CD . 16250 1 351 . 1 1 44 44 PRO CG C 13 26.724 0.400 . 1 . . . . 44 PRO CG . 16250 1 352 . 1 1 45 45 ILE H H 1 8.586 0.020 . 1 . . . . 45 ILE H . 16250 1 353 . 1 1 45 45 ILE HA H 1 4.337 0.020 . 1 . . . . 45 ILE HA . 16250 1 354 . 1 1 45 45 ILE HB H 1 1.895 0.020 . 1 . . . . 45 ILE HB . 16250 1 355 . 1 1 45 45 ILE HD11 H 1 0.905 0.020 . 1 . . . . 45 ILE HD11 . 16250 1 356 . 1 1 45 45 ILE HD12 H 1 0.905 0.020 . 1 . . . . 45 ILE HD12 . 16250 1 357 . 1 1 45 45 ILE HD13 H 1 0.905 0.020 . 1 . . . . 45 ILE HD13 . 16250 1 358 . 1 1 45 45 ILE HG12 H 1 1.647 0.020 . 2 . . . . 45 ILE HG12 . 16250 1 359 . 1 1 45 45 ILE HG13 H 1 1.184 0.020 . 2 . . . . 45 ILE HG13 . 16250 1 360 . 1 1 45 45 ILE HG21 H 1 0.971 0.020 . 1 . . . . 45 ILE HG21 . 16250 1 361 . 1 1 45 45 ILE HG22 H 1 0.971 0.020 . 1 . . . . 45 ILE HG22 . 16250 1 362 . 1 1 45 45 ILE HG23 H 1 0.971 0.020 . 1 . . . . 45 ILE HG23 . 16250 1 363 . 1 1 45 45 ILE CA C 13 60.170 0.400 . 1 . . . . 45 ILE CA . 16250 1 364 . 1 1 45 45 ILE CB C 13 39.143 0.400 . 1 . . . . 45 ILE CB . 16250 1 365 . 1 1 45 45 ILE CD1 C 13 12.279 0.400 . 1 . . . . 45 ILE CD1 . 16250 1 366 . 1 1 45 45 ILE CG1 C 13 26.725 0.400 . 1 . . . . 45 ILE CG1 . 16250 1 367 . 1 1 45 45 ILE CG2 C 13 17.097 0.400 . 1 . . . . 45 ILE CG2 . 16250 1 368 . 1 1 45 45 ILE N N 15 120.985 0.400 . 1 . . . . 45 ILE N . 16250 1 369 . 1 1 46 46 SER H H 1 9.512 0.020 . 1 . . . . 46 SER H . 16250 1 370 . 1 1 46 46 SER HA H 1 4.055 0.020 . 1 . . . . 46 SER HA . 16250 1 371 . 1 1 46 46 SER HB2 H 1 4.340 0.020 . 2 . . . . 46 SER HB2 . 16250 1 372 . 1 1 46 46 SER HB3 H 1 4.052 0.020 . 2 . . . . 46 SER HB3 . 16250 1 373 . 1 1 46 46 SER CA C 13 58.483 0.400 . 1 . . . . 46 SER CA . 16250 1 374 . 1 1 46 46 SER CB C 13 62.174 0.400 . 1 . . . . 46 SER CB . 16250 1 375 . 1 1 46 46 SER N N 15 124.158 0.400 . 1 . . . . 46 SER N . 16250 1 376 . 1 1 47 47 GLY H H 1 8.555 0.020 . 1 . . . . 47 GLY H . 16250 1 377 . 1 1 47 47 GLY HA2 H 1 4.020 0.020 . 2 . . . . 47 GLY HA2 . 16250 1 378 . 1 1 47 47 GLY HA3 H 1 3.531 0.020 . 2 . . . . 47 GLY HA3 . 16250 1 379 . 1 1 47 47 GLY CA C 13 44.328 0.400 . 1 . . . . 47 GLY CA . 16250 1 380 . 1 1 47 47 GLY N N 15 162.194 0.400 . 1 . . . . 47 GLY N . 16250 1 381 . 1 1 48 48 PHE H H 1 7.710 0.020 . 1 . . . . 48 PHE H . 16250 1 382 . 1 1 48 48 PHE HA H 1 5.783 0.020 . 1 . . . . 48 PHE HA . 16250 1 383 . 1 1 48 48 PHE HB2 H 1 2.955 0.020 . 2 . . . . 48 PHE HB2 . 16250 1 384 . 1 1 48 48 PHE HB3 H 1 2.820 0.020 . 2 . . . . 48 PHE HB3 . 16250 1 385 . 1 1 48 48 PHE HD1 H 1 7.057 0.020 . 1 . . . . 48 PHE HD1 . 16250 1 386 . 1 1 48 48 PHE HE1 H 1 7.414 0.020 . 1 . . . . 48 PHE HE1 . 16250 1 387 . 1 1 48 48 PHE CA C 13 56.732 0.400 . 1 . . . . 48 PHE CA . 16250 1 388 . 1 1 48 48 PHE CB C 13 43.784 0.400 . 1 . . . . 48 PHE CB . 16250 1 389 . 1 1 48 48 PHE CD1 C 13 132.339 0.400 . 1 . . . . 48 PHE CD1 . 16250 1 390 . 1 1 48 48 PHE CE1 C 13 131.284 0.400 . 1 . . . . 48 PHE CE1 . 16250 1 391 . 1 1 48 48 PHE N N 15 115.641 0.400 . 1 . . . . 48 PHE N . 16250 1 392 . 1 1 49 49 ILE H H 1 9.141 0.020 . 1 . . . . 49 ILE H . 16250 1 393 . 1 1 49 49 ILE HA H 1 4.908 0.020 . 1 . . . . 49 ILE HA . 16250 1 394 . 1 1 49 49 ILE HB H 1 1.821 0.020 . 1 . . . . 49 ILE HB . 16250 1 395 . 1 1 49 49 ILE HD11 H 1 0.064 0.020 . 1 . . . . 49 ILE HD11 . 16250 1 396 . 1 1 49 49 ILE HD12 H 1 0.064 0.020 . 1 . . . . 49 ILE HD12 . 16250 1 397 . 1 1 49 49 ILE HD13 H 1 0.064 0.020 . 1 . . . . 49 ILE HD13 . 16250 1 398 . 1 1 49 49 ILE HG12 H 1 1.481 0.020 . 2 . . . . 49 ILE HG12 . 16250 1 399 . 1 1 49 49 ILE HG13 H 1 1.222 0.020 . 2 . . . . 49 ILE HG13 . 16250 1 400 . 1 1 49 49 ILE HG21 H 1 0.067 0.020 . 1 . . . . 49 ILE HG21 . 16250 1 401 . 1 1 49 49 ILE HG22 H 1 0.067 0.020 . 1 . . . . 49 ILE HG22 . 16250 1 402 . 1 1 49 49 ILE HG23 H 1 0.067 0.020 . 1 . . . . 49 ILE HG23 . 16250 1 403 . 1 1 49 49 ILE CA C 13 59.368 0.400 . 1 . . . . 49 ILE CA . 16250 1 404 . 1 1 49 49 ILE CB C 13 39.945 0.400 . 1 . . . . 49 ILE CB . 16250 1 405 . 1 1 49 49 ILE CD1 C 13 16.207 0.400 . 1 . . . . 49 ILE CD1 . 16250 1 406 . 1 1 49 49 ILE CG1 C 13 24.633 0.400 . 1 . . . . 49 ILE CG1 . 16250 1 407 . 1 1 49 49 ILE CG2 C 13 16.212 0.400 . 1 . . . . 49 ILE CG2 . 16250 1 408 . 1 1 49 49 ILE N N 15 114.692 0.400 . 1 . . . . 49 ILE N . 16250 1 409 . 1 1 50 50 THR H H 1 8.700 0.020 . 1 . . . . 50 THR H . 16250 1 410 . 1 1 50 50 THR HA H 1 4.473 0.020 . 1 . . . . 50 THR HA . 16250 1 411 . 1 1 50 50 THR HB H 1 4.772 0.020 . 1 . . . . 50 THR HB . 16250 1 412 . 1 1 50 50 THR HG21 H 1 1.374 0.020 . 1 . . . . 50 THR HG21 . 16250 1 413 . 1 1 50 50 THR HG22 H 1 1.374 0.020 . 1 . . . . 50 THR HG22 . 16250 1 414 . 1 1 50 50 THR HG23 H 1 1.374 0.020 . 1 . . . . 50 THR HG23 . 16250 1 415 . 1 1 50 50 THR CA C 13 60.914 0.400 . 1 . . . . 50 THR CA . 16250 1 416 . 1 1 50 50 THR CB C 13 70.829 0.400 . 1 . . . . 50 THR CB . 16250 1 417 . 1 1 50 50 THR CG2 C 13 21.440 0.400 . 1 . . . . 50 THR CG2 . 16250 1 418 . 1 1 50 50 THR N N 15 112.658 0.400 . 1 . . . . 50 THR N . 16250 1 419 . 1 1 51 51 GLY H H 1 8.778 0.020 . 1 . . . . 51 GLY H . 16250 1 420 . 1 1 51 51 GLY HA2 H 1 3.790 0.020 . 2 . . . . 51 GLY HA2 . 16250 1 421 . 1 1 51 51 GLY HA3 H 1 3.713 0.020 . 2 . . . . 51 GLY HA3 . 16250 1 422 . 1 1 51 51 GLY CA C 13 48.310 0.400 . 1 . . . . 51 GLY CA . 16250 1 423 . 1 1 51 51 GLY N N 15 108.204 0.400 . 1 . . . . 51 GLY N . 16250 1 424 . 1 1 52 52 ASP H H 1 8.225 0.020 . 1 . . . . 52 ASP H . 16250 1 425 . 1 1 52 52 ASP HA H 1 4.216 0.020 . 1 . . . . 52 ASP HA . 16250 1 426 . 1 1 52 52 ASP HB2 H 1 2.522 0.020 . 2 . . . . 52 ASP HB2 . 16250 1 427 . 1 1 52 52 ASP HB3 H 1 2.458 0.020 . 2 . . . . 52 ASP HB3 . 16250 1 428 . 1 1 52 52 ASP CA C 13 57.344 0.400 . 1 . . . . 52 ASP CA . 16250 1 429 . 1 1 52 52 ASP CB C 13 40.304 0.400 . 1 . . . . 52 ASP CB . 16250 1 430 . 1 1 52 52 ASP N N 15 119.404 0.400 . 1 . . . . 52 ASP N . 16250 1 431 . 1 1 53 53 GLN H H 1 7.810 0.020 . 1 . . . . 53 GLN H . 16250 1 432 . 1 1 53 53 GLN HA H 1 3.969 0.020 . 1 . . . . 53 GLN HA . 16250 1 433 . 1 1 53 53 GLN HB2 H 1 2.387 0.020 . 2 . . . . 53 GLN HB2 . 16250 1 434 . 1 1 53 53 GLN HB3 H 1 1.744 0.020 . 2 . . . . 53 GLN HB3 . 16250 1 435 . 1 1 53 53 GLN HE21 H 1 7.318 0.020 . 2 . . . . 53 GLN HE21 . 16250 1 436 . 1 1 53 53 GLN HE22 H 1 6.665 0.020 . 2 . . . . 53 GLN HE22 . 16250 1 437 . 1 1 53 53 GLN HG2 H 1 2.508 0.020 . 2 . . . . 53 GLN HG2 . 16250 1 438 . 1 1 53 53 GLN HG3 H 1 2.368 0.020 . 2 . . . . 53 GLN HG3 . 16250 1 439 . 1 1 53 53 GLN CA C 13 58.673 0.400 . 1 . . . . 53 GLN CA . 16250 1 440 . 1 1 53 53 GLN CB C 13 29.794 0.400 . 1 . . . . 53 GLN CB . 16250 1 441 . 1 1 53 53 GLN CG C 13 34.599 0.400 . 1 . . . . 53 GLN CG . 16250 1 442 . 1 1 53 53 GLN N N 15 118.935 0.400 . 1 . . . . 53 GLN N . 16250 1 443 . 1 1 53 53 GLN NE2 N 15 112.104 0.400 . 1 . . . . 53 GLN NE2 . 16250 1 444 . 1 1 54 54 ALA H H 1 8.293 0.020 . 1 . . . . 54 ALA H . 16250 1 445 . 1 1 54 54 ALA HA H 1 3.642 0.020 . 1 . . . . 54 ALA HA . 16250 1 446 . 1 1 54 54 ALA HB1 H 1 1.670 0.020 . 1 . . . . 54 ALA HB1 . 16250 1 447 . 1 1 54 54 ALA HB2 H 1 1.670 0.020 . 1 . . . . 54 ALA HB2 . 16250 1 448 . 1 1 54 54 ALA HB3 H 1 1.670 0.020 . 1 . . . . 54 ALA HB3 . 16250 1 449 . 1 1 54 54 ALA CA C 13 55.243 0.400 . 1 . . . . 54 ALA CA . 16250 1 450 . 1 1 54 54 ALA CB C 13 19.448 0.400 . 1 . . . . 54 ALA CB . 16250 1 451 . 1 1 54 54 ALA N N 15 120.858 0.400 . 1 . . . . 54 ALA N . 16250 1 452 . 1 1 55 55 ARG H H 1 8.744 0.020 . 1 . . . . 55 ARG H . 16250 1 453 . 1 1 55 55 ARG HA H 1 3.795 0.020 . 1 . . . . 55 ARG HA . 16250 1 454 . 1 1 55 55 ARG HB2 H 1 1.786 0.020 . 2 . . . . 55 ARG HB2 . 16250 1 455 . 1 1 55 55 ARG HB3 H 1 1.620 0.020 . 2 . . . . 55 ARG HB3 . 16250 1 456 . 1 1 55 55 ARG HD2 H 1 2.782 0.020 . 2 . . . . 55 ARG HD2 . 16250 1 457 . 1 1 55 55 ARG HD3 H 1 2.773 0.020 . 2 . . . . 55 ARG HD3 . 16250 1 458 . 1 1 55 55 ARG HG2 H 1 1.525 0.020 . 2 . . . . 55 ARG HG2 . 16250 1 459 . 1 1 55 55 ARG HG3 H 1 1.437 0.020 . 2 . . . . 55 ARG HG3 . 16250 1 460 . 1 1 55 55 ARG CA C 13 60.628 0.400 . 1 . . . . 55 ARG CA . 16250 1 461 . 1 1 55 55 ARG CB C 13 30.224 0.400 . 1 . . . . 55 ARG CB . 16250 1 462 . 1 1 55 55 ARG CD C 13 43.399 0.400 . 1 . . . . 55 ARG CD . 16250 1 463 . 1 1 55 55 ARG CG C 13 29.342 0.400 . 1 . . . . 55 ARG CG . 16250 1 464 . 1 1 55 55 ARG N N 15 115.211 0.400 . 1 . . . . 55 ARG N . 16250 1 465 . 1 1 56 56 ASN H H 1 8.056 0.020 . 1 . . . . 56 ASN H . 16250 1 466 . 1 1 56 56 ASN HA H 1 4.470 0.020 . 1 . . . . 56 ASN HA . 16250 1 467 . 1 1 56 56 ASN HB2 H 1 2.900 0.020 . 2 . . . . 56 ASN HB2 . 16250 1 468 . 1 1 56 56 ASN HB3 H 1 2.769 0.020 . 2 . . . . 56 ASN HB3 . 16250 1 469 . 1 1 56 56 ASN HD21 H 1 7.611 0.020 . 2 . . . . 56 ASN HD21 . 16250 1 470 . 1 1 56 56 ASN HD22 H 1 6.853 0.020 . 2 . . . . 56 ASN HD22 . 16250 1 471 . 1 1 56 56 ASN CA C 13 56.091 0.400 . 1 . . . . 56 ASN CA . 16250 1 472 . 1 1 56 56 ASN CB C 13 38.069 0.400 . 1 . . . . 56 ASN CB . 16250 1 473 . 1 1 56 56 ASN N N 15 116.543 0.400 . 1 . . . . 56 ASN N . 16250 1 474 . 1 1 56 56 ASN ND2 N 15 112.778 0.400 . 1 . . . . 56 ASN ND2 . 16250 1 475 . 1 1 57 57 PHE H H 1 7.567 0.020 . 1 . . . . 57 PHE H . 16250 1 476 . 1 1 57 57 PHE HA H 1 4.517 0.020 . 1 . . . . 57 PHE HA . 16250 1 477 . 1 1 57 57 PHE HB2 H 1 3.252 0.020 . 2 . . . . 57 PHE HB2 . 16250 1 478 . 1 1 57 57 PHE HB3 H 1 3.109 0.020 . 2 . . . . 57 PHE HB3 . 16250 1 479 . 1 1 57 57 PHE HD1 H 1 7.402 0.020 . 1 . . . . 57 PHE HD1 . 16250 1 480 . 1 1 57 57 PHE HE1 H 1 7.630 0.020 . 1 . . . . 57 PHE HE1 . 16250 1 481 . 1 1 57 57 PHE CA C 13 61.373 0.400 . 1 . . . . 57 PHE CA . 16250 1 482 . 1 1 57 57 PHE CB C 13 39.518 0.400 . 1 . . . . 57 PHE CB . 16250 1 483 . 1 1 57 57 PHE CD1 C 13 132.160 0.400 . 1 . . . . 57 PHE CD1 . 16250 1 484 . 1 1 57 57 PHE CE1 C 13 132.111 0.400 . 1 . . . . 57 PHE CE1 . 16250 1 485 . 1 1 57 57 PHE N N 15 121.111 0.400 . 1 . . . . 57 PHE N . 16250 1 486 . 1 1 58 58 PHE H H 1 8.995 0.020 . 1 . . . . 58 PHE H . 16250 1 487 . 1 1 58 58 PHE HA H 1 4.501 0.020 . 1 . . . . 58 PHE HA . 16250 1 488 . 1 1 58 58 PHE HB2 H 1 3.382 0.020 . 2 . . . . 58 PHE HB2 . 16250 1 489 . 1 1 58 58 PHE HB3 H 1 3.288 0.020 . 2 . . . . 58 PHE HB3 . 16250 1 490 . 1 1 58 58 PHE HD1 H 1 7.240 0.020 . 1 . . . . 58 PHE HD1 . 16250 1 491 . 1 1 58 58 PHE CA C 13 57.190 0.400 . 1 . . . . 58 PHE CA . 16250 1 492 . 1 1 58 58 PHE CB C 13 37.236 0.400 . 1 . . . . 58 PHE CB . 16250 1 493 . 1 1 58 58 PHE CD1 C 13 130.429 0.400 . 1 . . . . 58 PHE CD1 . 16250 1 494 . 1 1 58 58 PHE N N 15 119.594 0.400 . 1 . . . . 58 PHE N . 16250 1 495 . 1 1 59 59 PHE H H 1 8.510 0.020 . 1 . . . . 59 PHE H . 16250 1 496 . 1 1 59 59 PHE HA H 1 4.296 0.020 . 1 . . . . 59 PHE HA . 16250 1 497 . 1 1 59 59 PHE HB2 H 1 3.403 0.020 . 2 . . . . 59 PHE HB2 . 16250 1 498 . 1 1 59 59 PHE HB3 H 1 3.269 0.020 . 2 . . . . 59 PHE HB3 . 16250 1 499 . 1 1 59 59 PHE HD1 H 1 7.274 0.020 . 1 . . . . 59 PHE HD1 . 16250 1 500 . 1 1 59 59 PHE CA C 13 60.456 0.400 . 1 . . . . 59 PHE CA . 16250 1 501 . 1 1 59 59 PHE CB C 13 38.914 0.400 . 1 . . . . 59 PHE CB . 16250 1 502 . 1 1 59 59 PHE CD1 C 13 131.735 0.400 . 1 . . . . 59 PHE CD1 . 16250 1 503 . 1 1 59 59 PHE N N 15 120.834 0.400 . 1 . . . . 59 PHE N . 16250 1 504 . 1 1 60 60 GLN H H 1 7.652 0.020 . 1 . . . . 60 GLN H . 16250 1 505 . 1 1 60 60 GLN HA H 1 4.056 0.020 . 1 . . . . 60 GLN HA . 16250 1 506 . 1 1 60 60 GLN HB2 H 1 2.239 0.020 . 2 . . . . 60 GLN HB2 . 16250 1 507 . 1 1 60 60 GLN HB3 H 1 2.015 0.020 . 2 . . . . 60 GLN HB3 . 16250 1 508 . 1 1 60 60 GLN HE21 H 1 7.480 0.020 . 2 . . . . 60 GLN HE21 . 16250 1 509 . 1 1 60 60 GLN HE22 H 1 6.893 0.020 . 2 . . . . 60 GLN HE22 . 16250 1 510 . 1 1 60 60 GLN HG2 H 1 2.666 0.020 . 2 . . . . 60 GLN HG2 . 16250 1 511 . 1 1 60 60 GLN HG3 H 1 2.560 0.020 . 2 . . . . 60 GLN HG3 . 16250 1 512 . 1 1 60 60 GLN CA C 13 57.133 0.400 . 1 . . . . 60 GLN CA . 16250 1 513 . 1 1 60 60 GLN CB C 13 27.771 0.400 . 1 . . . . 60 GLN CB . 16250 1 514 . 1 1 60 60 GLN CG C 13 33.720 0.400 . 1 . . . . 60 GLN CG . 16250 1 515 . 1 1 60 60 GLN N N 15 116.464 0.400 . 1 . . . . 60 GLN N . 16250 1 516 . 1 1 60 60 GLN NE2 N 15 111.531 0.400 . 1 . . . . 60 GLN NE2 . 16250 1 517 . 1 1 61 61 SER H H 1 7.823 0.020 . 1 . . . . 61 SER H . 16250 1 518 . 1 1 61 61 SER HA H 1 3.985 0.020 . 1 . . . . 61 SER HA . 16250 1 519 . 1 1 61 61 SER HB2 H 1 3.973 0.020 . 2 . . . . 61 SER HB2 . 16250 1 520 . 1 1 61 61 SER HB3 H 1 3.741 0.020 . 2 . . . . 61 SER HB3 . 16250 1 521 . 1 1 61 61 SER CA C 13 60.571 0.400 . 1 . . . . 61 SER CA . 16250 1 522 . 1 1 61 61 SER CB C 13 65.277 0.400 . 1 . . . . 61 SER CB . 16250 1 523 . 1 1 61 61 SER N N 15 113.448 0.400 . 1 . . . . 61 SER N . 16250 1 524 . 1 1 62 62 GLY H H 1 7.478 0.020 . 1 . . . . 62 GLY H . 16250 1 525 . 1 1 62 62 GLY HA2 H 1 4.115 0.020 . 2 . . . . 62 GLY HA2 . 16250 1 526 . 1 1 62 62 GLY HA3 H 1 3.699 0.020 . 2 . . . . 62 GLY HA3 . 16250 1 527 . 1 1 62 62 GLY CA C 13 45.445 0.400 . 1 . . . . 62 GLY CA . 16250 1 528 . 1 1 62 62 GLY N N 15 108.189 0.400 . 1 . . . . 62 GLY N . 16250 1 529 . 1 1 63 63 LEU H H 1 7.282 0.020 . 1 . . . . 63 LEU H . 16250 1 530 . 1 1 63 63 LEU HA H 1 4.471 0.020 . 1 . . . . 63 LEU HA . 16250 1 531 . 1 1 63 63 LEU HB2 H 1 1.517 0.020 . 2 . . . . 63 LEU HB2 . 16250 1 532 . 1 1 63 63 LEU HB3 H 1 1.095 0.020 . 2 . . . . 63 LEU HB3 . 16250 1 533 . 1 1 63 63 LEU HD11 H 1 0.874 0.020 . 2 . . . . 63 LEU HD11 . 16250 1 534 . 1 1 63 63 LEU HD12 H 1 0.874 0.020 . 2 . . . . 63 LEU HD12 . 16250 1 535 . 1 1 63 63 LEU HD13 H 1 0.874 0.020 . 2 . . . . 63 LEU HD13 . 16250 1 536 . 1 1 63 63 LEU HD21 H 1 0.902 0.020 . 2 . . . . 63 LEU HD21 . 16250 1 537 . 1 1 63 63 LEU HD22 H 1 0.902 0.020 . 2 . . . . 63 LEU HD22 . 16250 1 538 . 1 1 63 63 LEU HD23 H 1 0.902 0.020 . 2 . . . . 63 LEU HD23 . 16250 1 539 . 1 1 63 63 LEU HG H 1 1.517 0.020 . 1 . . . . 63 LEU HG . 16250 1 540 . 1 1 63 63 LEU CA C 13 52.971 0.400 . 1 . . . . 63 LEU CA . 16250 1 541 . 1 1 63 63 LEU CB C 13 41.597 0.400 . 1 . . . . 63 LEU CB . 16250 1 542 . 1 1 63 63 LEU CD1 C 13 26.296 0.400 . 1 . . . . 63 LEU CD1 . 16250 1 543 . 1 1 63 63 LEU CD2 C 13 23.644 0.400 . 1 . . . . 63 LEU CD2 . 16250 1 544 . 1 1 63 63 LEU CG C 13 27.151 0.400 . 1 . . . . 63 LEU CG . 16250 1 545 . 1 1 63 63 LEU N N 15 120.356 0.400 . 1 . . . . 63 LEU N . 16250 1 546 . 1 1 64 64 PRO HA H 1 4.559 0.020 . 1 . . . . 64 PRO HA . 16250 1 547 . 1 1 64 64 PRO HB2 H 1 2.583 0.020 . 2 . . . . 64 PRO HB2 . 16250 1 548 . 1 1 64 64 PRO HB3 H 1 1.905 0.020 . 2 . . . . 64 PRO HB3 . 16250 1 549 . 1 1 64 64 PRO HD2 H 1 3.985 0.020 . 2 . . . . 64 PRO HD2 . 16250 1 550 . 1 1 64 64 PRO HD3 H 1 3.327 0.020 . 2 . . . . 64 PRO HD3 . 16250 1 551 . 1 1 64 64 PRO HG2 H 1 2.167 0.020 . 2 . . . . 64 PRO HG2 . 16250 1 552 . 1 1 64 64 PRO HG3 H 1 2.137 0.020 . 2 . . . . 64 PRO HG3 . 16250 1 553 . 1 1 64 64 PRO CA C 13 63.039 0.400 . 1 . . . . 64 PRO CA . 16250 1 554 . 1 1 64 64 PRO CB C 13 33.402 0.400 . 1 . . . . 64 PRO CB . 16250 1 555 . 1 1 64 64 PRO CD C 13 50.356 0.400 . 1 . . . . 64 PRO CD . 16250 1 556 . 1 1 64 64 PRO CG C 13 27.922 0.400 . 1 . . . . 64 PRO CG . 16250 1 557 . 1 1 65 65 GLN H H 1 9.289 0.020 . 1 . . . . 65 GLN H . 16250 1 558 . 1 1 65 65 GLN HA H 1 4.194 0.020 . 1 . . . . 65 GLN HA . 16250 1 559 . 1 1 65 65 GLN HB2 H 1 2.292 0.020 . 2 . . . . 65 GLN HB2 . 16250 1 560 . 1 1 65 65 GLN HB3 H 1 2.287 0.020 . 2 . . . . 65 GLN HB3 . 16250 1 561 . 1 1 65 65 GLN HG2 H 1 2.581 0.020 . 2 . . . . 65 GLN HG2 . 16250 1 562 . 1 1 65 65 GLN HG3 H 1 2.300 0.020 . 2 . . . . 65 GLN HG3 . 16250 1 563 . 1 1 65 65 GLN CA C 13 61.180 0.400 . 1 . . . . 65 GLN CA . 16250 1 564 . 1 1 65 65 GLN CB C 13 25.845 0.400 . 1 . . . . 65 GLN CB . 16250 1 565 . 1 1 65 65 GLN CG C 13 33.290 0.400 . 1 . . . . 65 GLN CG . 16250 1 566 . 1 1 65 65 GLN N N 15 122.729 0.400 . 1 . . . . 65 GLN N . 16250 1 567 . 1 1 66 66 PRO HA H 1 4.399 0.020 . 1 . . . . 66 PRO HA . 16250 1 568 . 1 1 66 66 PRO HB2 H 1 2.403 0.020 . 2 . . . . 66 PRO HB2 . 16250 1 569 . 1 1 66 66 PRO HB3 H 1 1.912 0.020 . 2 . . . . 66 PRO HB3 . 16250 1 570 . 1 1 66 66 PRO HD2 H 1 3.883 0.020 . 2 . . . . 66 PRO HD2 . 16250 1 571 . 1 1 66 66 PRO HD3 H 1 3.686 0.020 . 2 . . . . 66 PRO HD3 . 16250 1 572 . 1 1 66 66 PRO HG2 H 1 2.120 0.020 . 2 . . . . 66 PRO HG2 . 16250 1 573 . 1 1 66 66 PRO HG3 H 1 2.051 0.020 . 2 . . . . 66 PRO HG3 . 16250 1 574 . 1 1 66 66 PRO CA C 13 65.956 0.400 . 1 . . . . 66 PRO CA . 16250 1 575 . 1 1 66 66 PRO CB C 13 30.665 0.400 . 1 . . . . 66 PRO CB . 16250 1 576 . 1 1 66 66 PRO CD C 13 50.343 0.400 . 1 . . . . 66 PRO CD . 16250 1 577 . 1 1 66 66 PRO CG C 13 28.474 0.400 . 1 . . . . 66 PRO CG . 16250 1 578 . 1 1 67 67 VAL H H 1 6.875 0.020 . 1 . . . . 67 VAL H . 16250 1 579 . 1 1 67 67 VAL HA H 1 3.930 0.020 . 1 . . . . 67 VAL HA . 16250 1 580 . 1 1 67 67 VAL HB H 1 2.233 0.020 . 1 . . . . 67 VAL HB . 16250 1 581 . 1 1 67 67 VAL HG11 H 1 1.132 0.020 . 2 . . . . 67 VAL HG11 . 16250 1 582 . 1 1 67 67 VAL HG12 H 1 1.132 0.020 . 2 . . . . 67 VAL HG12 . 16250 1 583 . 1 1 67 67 VAL HG13 H 1 1.132 0.020 . 2 . . . . 67 VAL HG13 . 16250 1 584 . 1 1 67 67 VAL HG21 H 1 1.007 0.020 . 2 . . . . 67 VAL HG21 . 16250 1 585 . 1 1 67 67 VAL HG22 H 1 1.007 0.020 . 2 . . . . 67 VAL HG22 . 16250 1 586 . 1 1 67 67 VAL HG23 H 1 1.007 0.020 . 2 . . . . 67 VAL HG23 . 16250 1 587 . 1 1 67 67 VAL CA C 13 64.811 0.400 . 1 . . . . 67 VAL CA . 16250 1 588 . 1 1 67 67 VAL CB C 13 31.581 0.400 . 1 . . . . 67 VAL CB . 16250 1 589 . 1 1 67 67 VAL CG1 C 13 22.350 0.400 . 1 . . . . 67 VAL CG1 . 16250 1 590 . 1 1 67 67 VAL CG2 C 13 22.364 0.400 . 1 . . . . 67 VAL CG2 . 16250 1 591 . 1 1 67 67 VAL N N 15 117.350 0.400 . 1 . . . . 67 VAL N . 16250 1 592 . 1 1 68 68 LEU H H 1 7.965 0.020 . 1 . . . . 68 LEU H . 16250 1 593 . 1 1 68 68 LEU HA H 1 3.955 0.020 . 1 . . . . 68 LEU HA . 16250 1 594 . 1 1 68 68 LEU HB2 H 1 1.999 0.020 . 2 . . . . 68 LEU HB2 . 16250 1 595 . 1 1 68 68 LEU HB3 H 1 1.552 0.020 . 2 . . . . 68 LEU HB3 . 16250 1 596 . 1 1 68 68 LEU HD11 H 1 0.875 0.020 . 2 . . . . 68 LEU HD11 . 16250 1 597 . 1 1 68 68 LEU HD12 H 1 0.875 0.020 . 2 . . . . 68 LEU HD12 . 16250 1 598 . 1 1 68 68 LEU HD13 H 1 0.875 0.020 . 2 . . . . 68 LEU HD13 . 16250 1 599 . 1 1 68 68 LEU HD21 H 1 0.760 0.020 . 2 . . . . 68 LEU HD21 . 16250 1 600 . 1 1 68 68 LEU HD22 H 1 0.760 0.020 . 2 . . . . 68 LEU HD22 . 16250 1 601 . 1 1 68 68 LEU HD23 H 1 0.760 0.020 . 2 . . . . 68 LEU HD23 . 16250 1 602 . 1 1 68 68 LEU HG H 1 1.539 0.020 . 1 . . . . 68 LEU HG . 16250 1 603 . 1 1 68 68 LEU CA C 13 57.878 0.400 . 1 . . . . 68 LEU CA . 16250 1 604 . 1 1 68 68 LEU CB C 13 40.821 0.400 . 1 . . . . 68 LEU CB . 16250 1 605 . 1 1 68 68 LEU CD1 C 13 26.301 0.400 . 1 . . . . 68 LEU CD1 . 16250 1 606 . 1 1 68 68 LEU CD2 C 13 23.055 0.400 . 1 . . . . 68 LEU CD2 . 16250 1 607 . 1 1 68 68 LEU CG C 13 26.287 0.400 . 1 . . . . 68 LEU CG . 16250 1 608 . 1 1 68 68 LEU N N 15 119.980 0.400 . 1 . . . . 68 LEU N . 16250 1 609 . 1 1 69 69 ALA H H 1 8.577 0.020 . 1 . . . . 69 ALA H . 16250 1 610 . 1 1 69 69 ALA HA H 1 4.375 0.020 . 1 . . . . 69 ALA HA . 16250 1 611 . 1 1 69 69 ALA HB1 H 1 1.559 0.020 . 1 . . . . 69 ALA HB1 . 16250 1 612 . 1 1 69 69 ALA HB2 H 1 1.559 0.020 . 1 . . . . 69 ALA HB2 . 16250 1 613 . 1 1 69 69 ALA HB3 H 1 1.559 0.020 . 1 . . . . 69 ALA HB3 . 16250 1 614 . 1 1 69 69 ALA CA C 13 55.128 0.400 . 1 . . . . 69 ALA CA . 16250 1 615 . 1 1 69 69 ALA CB C 13 17.533 0.400 . 1 . . . . 69 ALA CB . 16250 1 616 . 1 1 69 69 ALA N N 15 122.731 0.400 . 1 . . . . 69 ALA N . 16250 1 617 . 1 1 70 70 GLN H H 1 7.534 0.020 . 1 . . . . 70 GLN H . 16250 1 618 . 1 1 70 70 GLN HA H 1 4.190 0.020 . 1 . . . . 70 GLN HA . 16250 1 619 . 1 1 70 70 GLN HB2 H 1 2.310 0.020 . 2 . . . . 70 GLN HB2 . 16250 1 620 . 1 1 70 70 GLN HB3 H 1 2.188 0.020 . 2 . . . . 70 GLN HB3 . 16250 1 621 . 1 1 70 70 GLN HE21 H 1 7.297 0.020 . 2 . . . . 70 GLN HE21 . 16250 1 622 . 1 1 70 70 GLN HE22 H 1 6.695 0.020 . 2 . . . . 70 GLN HE22 . 16250 1 623 . 1 1 70 70 GLN HG2 H 1 2.579 0.020 . 2 . . . . 70 GLN HG2 . 16250 1 624 . 1 1 70 70 GLN HG3 H 1 2.299 0.020 . 2 . . . . 70 GLN HG3 . 16250 1 625 . 1 1 70 70 GLN CA C 13 58.623 0.400 . 1 . . . . 70 GLN CA . 16250 1 626 . 1 1 70 70 GLN CB C 13 28.349 0.400 . 1 . . . . 70 GLN CB . 16250 1 627 . 1 1 70 70 GLN CG C 13 33.627 0.400 . 1 . . . . 70 GLN CG . 16250 1 628 . 1 1 70 70 GLN N N 15 120.846 0.400 . 1 . . . . 70 GLN N . 16250 1 629 . 1 1 70 70 GLN NE2 N 15 110.223 0.400 . 1 . . . . 70 GLN NE2 . 16250 1 630 . 1 1 71 71 ILE H H 1 8.170 0.020 . 1 . . . . 71 ILE H . 16250 1 631 . 1 1 71 71 ILE HA H 1 3.455 0.020 . 1 . . . . 71 ILE HA . 16250 1 632 . 1 1 71 71 ILE HB H 1 1.845 0.020 . 1 . . . . 71 ILE HB . 16250 1 633 . 1 1 71 71 ILE HD11 H 1 0.601 0.020 . 1 . . . . 71 ILE HD11 . 16250 1 634 . 1 1 71 71 ILE HD12 H 1 0.601 0.020 . 1 . . . . 71 ILE HD12 . 16250 1 635 . 1 1 71 71 ILE HD13 H 1 0.601 0.020 . 1 . . . . 71 ILE HD13 . 16250 1 636 . 1 1 71 71 ILE HG12 H 1 0.779 0.020 . 2 . . . . 71 ILE HG12 . 16250 1 637 . 1 1 71 71 ILE HG13 H 1 0.778 0.020 . 2 . . . . 71 ILE HG13 . 16250 1 638 . 1 1 71 71 ILE HG21 H 1 0.621 0.020 . 1 . . . . 71 ILE HG21 . 16250 1 639 . 1 1 71 71 ILE HG22 H 1 0.621 0.020 . 1 . . . . 71 ILE HG22 . 16250 1 640 . 1 1 71 71 ILE HG23 H 1 0.621 0.020 . 1 . . . . 71 ILE HG23 . 16250 1 641 . 1 1 71 71 ILE CA C 13 66.530 0.400 . 1 . . . . 71 ILE CA . 16250 1 642 . 1 1 71 71 ILE CB C 13 37.768 0.400 . 1 . . . . 71 ILE CB . 16250 1 643 . 1 1 71 71 ILE CD1 C 13 14.026 0.400 . 1 . . . . 71 ILE CD1 . 16250 1 644 . 1 1 71 71 ILE CG1 C 13 31.098 0.400 . 1 . . . . 71 ILE CG1 . 16250 1 645 . 1 1 71 71 ILE CG2 C 13 15.779 0.400 . 1 . . . . 71 ILE CG2 . 16250 1 646 . 1 1 71 71 ILE N N 15 120.351 0.400 . 1 . . . . 71 ILE N . 16250 1 647 . 1 1 72 72 TRP H H 1 8.473 0.020 . 1 . . . . 72 TRP H . 16250 1 648 . 1 1 72 72 TRP HA H 1 3.845 0.020 . 1 . . . . 72 TRP HA . 16250 1 649 . 1 1 72 72 TRP HB2 H 1 3.568 0.020 . 2 . . . . 72 TRP HB2 . 16250 1 650 . 1 1 72 72 TRP HB3 H 1 3.419 0.020 . 2 . . . . 72 TRP HB3 . 16250 1 651 . 1 1 72 72 TRP HD1 H 1 7.302 0.020 . 1 . . . . 72 TRP HD1 . 16250 1 652 . 1 1 72 72 TRP HE1 H 1 10.360 0.020 . 1 . . . . 72 TRP HE1 . 16250 1 653 . 1 1 72 72 TRP HE3 H 1 7.252 0.020 . 1 . . . . 72 TRP HE3 . 16250 1 654 . 1 1 72 72 TRP HH2 H 1 6.739 0.020 . 1 . . . . 72 TRP HH2 . 16250 1 655 . 1 1 72 72 TRP HZ2 H 1 7.204 0.020 . 1 . . . . 72 TRP HZ2 . 16250 1 656 . 1 1 72 72 TRP HZ3 H 1 7.350 0.020 . 1 . . . . 72 TRP HZ3 . 16250 1 657 . 1 1 72 72 TRP CA C 13 61.144 0.400 . 1 . . . . 72 TRP CA . 16250 1 658 . 1 1 72 72 TRP CB C 13 28.496 0.400 . 1 . . . . 72 TRP CB . 16250 1 659 . 1 1 72 72 TRP CD1 C 13 128.239 0.400 . 1 . . . . 72 TRP CD1 . 16250 1 660 . 1 1 72 72 TRP CE3 C 13 121.195 0.400 . 1 . . . . 72 TRP CE3 . 16250 1 661 . 1 1 72 72 TRP CH2 C 13 122.996 0.400 . 1 . . . . 72 TRP CH2 . 16250 1 662 . 1 1 72 72 TRP CZ2 C 13 114.190 0.400 . 1 . . . . 72 TRP CZ2 . 16250 1 663 . 1 1 72 72 TRP CZ3 C 13 121.570 0.400 . 1 . . . . 72 TRP CZ3 . 16250 1 664 . 1 1 72 72 TRP N N 15 119.417 0.400 . 1 . . . . 72 TRP N . 16250 1 665 . 1 1 72 72 TRP NE1 N 15 130.312 0.400 . 1 . . . . 72 TRP NE1 . 16250 1 666 . 1 1 73 73 ALA H H 1 7.647 0.020 . 1 . . . . 73 ALA H . 16250 1 667 . 1 1 73 73 ALA HA H 1 4.012 0.020 . 1 . . . . 73 ALA HA . 16250 1 668 . 1 1 73 73 ALA HB1 H 1 1.537 0.020 . 1 . . . . 73 ALA HB1 . 16250 1 669 . 1 1 73 73 ALA HB2 H 1 1.537 0.020 . 1 . . . . 73 ALA HB2 . 16250 1 670 . 1 1 73 73 ALA HB3 H 1 1.537 0.020 . 1 . . . . 73 ALA HB3 . 16250 1 671 . 1 1 73 73 ALA CA C 13 54.154 0.400 . 1 . . . . 73 ALA CA . 16250 1 672 . 1 1 73 73 ALA CB C 13 18.059 0.400 . 1 . . . . 73 ALA CB . 16250 1 673 . 1 1 73 73 ALA N N 15 116.148 0.400 . 1 . . . . 73 ALA N . 16250 1 674 . 1 1 74 74 LEU H H 1 7.493 0.020 . 1 . . . . 74 LEU H . 16250 1 675 . 1 1 74 74 LEU HA H 1 3.947 0.020 . 1 . . . . 74 LEU HA . 16250 1 676 . 1 1 74 74 LEU HB2 H 1 1.846 0.020 . 2 . . . . 74 LEU HB2 . 16250 1 677 . 1 1 74 74 LEU HB3 H 1 1.044 0.020 . 2 . . . . 74 LEU HB3 . 16250 1 678 . 1 1 74 74 LEU HD11 H 1 0.886 0.020 . 2 . . . . 74 LEU HD11 . 16250 1 679 . 1 1 74 74 LEU HD12 H 1 0.886 0.020 . 2 . . . . 74 LEU HD12 . 16250 1 680 . 1 1 74 74 LEU HD13 H 1 0.886 0.020 . 2 . . . . 74 LEU HD13 . 16250 1 681 . 1 1 74 74 LEU HD21 H 1 0.591 0.020 . 2 . . . . 74 LEU HD21 . 16250 1 682 . 1 1 74 74 LEU HD22 H 1 0.591 0.020 . 2 . . . . 74 LEU HD22 . 16250 1 683 . 1 1 74 74 LEU HD23 H 1 0.591 0.020 . 2 . . . . 74 LEU HD23 . 16250 1 684 . 1 1 74 74 LEU HG H 1 1.786 0.020 . 1 . . . . 74 LEU HG . 16250 1 685 . 1 1 74 74 LEU CA C 13 56.478 0.400 . 1 . . . . 74 LEU CA . 16250 1 686 . 1 1 74 74 LEU CB C 13 43.726 0.400 . 1 . . . . 74 LEU CB . 16250 1 687 . 1 1 74 74 LEU CD1 C 13 26.292 0.400 . 1 . . . . 74 LEU CD1 . 16250 1 688 . 1 1 74 74 LEU CD2 C 13 22.354 0.400 . 1 . . . . 74 LEU CD2 . 16250 1 689 . 1 1 74 74 LEU CG C 13 26.725 0.400 . 1 . . . . 74 LEU CG . 16250 1 690 . 1 1 74 74 LEU N N 15 115.647 0.400 . 1 . . . . 74 LEU N . 16250 1 691 . 1 1 75 75 ALA H H 1 7.952 0.020 . 1 . . . . 75 ALA H . 16250 1 692 . 1 1 75 75 ALA HA H 1 4.019 0.020 . 1 . . . . 75 ALA HA . 16250 1 693 . 1 1 75 75 ALA HB1 H 1 1.179 0.020 . 1 . . . . 75 ALA HB1 . 16250 1 694 . 1 1 75 75 ALA HB2 H 1 1.179 0.020 . 1 . . . . 75 ALA HB2 . 16250 1 695 . 1 1 75 75 ALA HB3 H 1 1.179 0.020 . 1 . . . . 75 ALA HB3 . 16250 1 696 . 1 1 75 75 ALA CA C 13 53.982 0.400 . 1 . . . . 75 ALA CA . 16250 1 697 . 1 1 75 75 ALA CB C 13 19.913 0.400 . 1 . . . . 75 ALA CB . 16250 1 698 . 1 1 75 75 ALA N N 15 118.000 0.400 . 1 . . . . 75 ALA N . 16250 1 699 . 1 1 76 76 ASP H H 1 7.798 0.020 . 1 . . . . 76 ASP H . 16250 1 700 . 1 1 76 76 ASP HA H 1 4.587 0.020 . 1 . . . . 76 ASP HA . 16250 1 701 . 1 1 76 76 ASP HB2 H 1 2.321 0.020 . 2 . . . . 76 ASP HB2 . 16250 1 702 . 1 1 76 76 ASP HB3 H 1 1.018 0.020 . 2 . . . . 76 ASP HB3 . 16250 1 703 . 1 1 76 76 ASP CA C 13 51.849 0.400 . 1 . . . . 76 ASP CA . 16250 1 704 . 1 1 76 76 ASP CB C 13 36.265 0.400 . 1 . . . . 76 ASP CB . 16250 1 705 . 1 1 76 76 ASP N N 15 114.297 0.400 . 1 . . . . 76 ASP N . 16250 1 706 . 1 1 77 77 MET H H 1 8.077 0.020 . 1 . . . . 77 MET H . 16250 1 707 . 1 1 77 77 MET HA H 1 3.867 0.020 . 1 . . . . 77 MET HA . 16250 1 708 . 1 1 77 77 MET HB2 H 1 2.220 0.020 . 2 . . . . 77 MET HB2 . 16250 1 709 . 1 1 77 77 MET HB3 H 1 1.999 0.020 . 2 . . . . 77 MET HB3 . 16250 1 710 . 1 1 77 77 MET HE1 H 1 2.116 0.020 . 1 . . . . 77 MET HE1 . 16250 1 711 . 1 1 77 77 MET HE2 H 1 2.116 0.020 . 1 . . . . 77 MET HE2 . 16250 1 712 . 1 1 77 77 MET HE3 H 1 2.116 0.020 . 1 . . . . 77 MET HE3 . 16250 1 713 . 1 1 77 77 MET HG2 H 1 2.751 0.020 . 2 . . . . 77 MET HG2 . 16250 1 714 . 1 1 77 77 MET HG3 H 1 2.550 0.020 . 2 . . . . 77 MET HG3 . 16250 1 715 . 1 1 77 77 MET CA C 13 59.024 0.400 . 1 . . . . 77 MET CA . 16250 1 716 . 1 1 77 77 MET CB C 13 34.550 0.400 . 1 . . . . 77 MET CB . 16250 1 717 . 1 1 77 77 MET CE C 13 17.079 0.400 . 1 . . . . 77 MET CE . 16250 1 718 . 1 1 77 77 MET CG C 13 31.361 0.400 . 1 . . . . 77 MET CG . 16250 1 719 . 1 1 77 77 MET N N 15 123.959 0.400 . 1 . . . . 77 MET N . 16250 1 720 . 1 1 78 78 ASN H H 1 7.801 0.020 . 1 . . . . 78 ASN H . 16250 1 721 . 1 1 78 78 ASN HA H 1 4.839 0.020 . 1 . . . . 78 ASN HA . 16250 1 722 . 1 1 78 78 ASN HB2 H 1 3.316 0.020 . 2 . . . . 78 ASN HB2 . 16250 1 723 . 1 1 78 78 ASN HB3 H 1 2.779 0.020 . 2 . . . . 78 ASN HB3 . 16250 1 724 . 1 1 78 78 ASN HD21 H 1 8.053 0.020 . 2 . . . . 78 ASN HD21 . 16250 1 725 . 1 1 78 78 ASN HD22 H 1 6.559 0.020 . 2 . . . . 78 ASN HD22 . 16250 1 726 . 1 1 78 78 ASN CA C 13 50.889 0.400 . 1 . . . . 78 ASN CA . 16250 1 727 . 1 1 78 78 ASN CB C 13 37.028 0.400 . 1 . . . . 78 ASN CB . 16250 1 728 . 1 1 78 78 ASN N N 15 112.247 0.400 . 1 . . . . 78 ASN N . 16250 1 729 . 1 1 78 78 ASN ND2 N 15 112.782 0.400 . 1 . . . . 78 ASN ND2 . 16250 1 730 . 1 1 79 79 ASN H H 1 8.019 0.020 . 1 . . . . 79 ASN H . 16250 1 731 . 1 1 79 79 ASN HA H 1 4.380 0.020 . 1 . . . . 79 ASN HA . 16250 1 732 . 1 1 79 79 ASN HB2 H 1 3.094 0.020 . 2 . . . . 79 ASN HB2 . 16250 1 733 . 1 1 79 79 ASN HB3 H 1 2.580 0.020 . 2 . . . . 79 ASN HB3 . 16250 1 734 . 1 1 79 79 ASN HD21 H 1 7.507 0.020 . 2 . . . . 79 ASN HD21 . 16250 1 735 . 1 1 79 79 ASN HD22 H 1 6.724 0.020 . 2 . . . . 79 ASN HD22 . 16250 1 736 . 1 1 79 79 ASN CA C 13 54.319 0.400 . 1 . . . . 79 ASN CA . 16250 1 737 . 1 1 79 79 ASN CB C 13 37.867 0.400 . 1 . . . . 79 ASN CB . 16250 1 738 . 1 1 79 79 ASN N N 15 116.050 0.400 . 1 . . . . 79 ASN N . 16250 1 739 . 1 1 79 79 ASN ND2 N 15 111.364 0.400 . 1 . . . . 79 ASN ND2 . 16250 1 740 . 1 1 80 80 ASP H H 1 8.019 0.020 . 1 . . . . 80 ASP H . 16250 1 741 . 1 1 80 80 ASP HA H 1 4.784 0.020 . 1 . . . . 80 ASP HA . 16250 1 742 . 1 1 80 80 ASP HB2 H 1 3.070 0.020 . 2 . . . . 80 ASP HB2 . 16250 1 743 . 1 1 80 80 ASP HB3 H 1 2.382 0.020 . 2 . . . . 80 ASP HB3 . 16250 1 744 . 1 1 80 80 ASP CA C 13 52.672 0.400 . 1 . . . . 80 ASP CA . 16250 1 745 . 1 1 80 80 ASP CB C 13 41.585 0.400 . 1 . . . . 80 ASP CB . 16250 1 746 . 1 1 80 80 ASP N N 15 115.620 0.400 . 1 . . . . 80 ASP N . 16250 1 747 . 1 1 81 81 GLY H H 1 10.345 0.020 . 1 . . . . 81 GLY H . 16250 1 748 . 1 1 81 81 GLY HA2 H 1 4.339 0.020 . 2 . . . . 81 GLY HA2 . 16250 1 749 . 1 1 81 81 GLY HA3 H 1 4.044 0.020 . 2 . . . . 81 GLY HA3 . 16250 1 750 . 1 1 81 81 GLY CA C 13 46.560 0.400 . 1 . . . . 81 GLY CA . 16250 1 751 . 1 1 81 81 GLY N N 15 112.191 0.400 . 1 . . . . 81 GLY N . 16250 1 752 . 1 1 82 82 ARG H H 1 8.365 0.020 . 1 . . . . 82 ARG H . 16250 1 753 . 1 1 82 82 ARG HA H 1 5.105 0.020 . 1 . . . . 82 ARG HA . 16250 1 754 . 1 1 82 82 ARG HB2 H 1 2.071 0.020 . 2 . . . . 82 ARG HB2 . 16250 1 755 . 1 1 82 82 ARG HB3 H 1 1.895 0.020 . 2 . . . . 82 ARG HB3 . 16250 1 756 . 1 1 82 82 ARG HD2 H 1 2.655 0.020 . 2 . . . . 82 ARG HD2 . 16250 1 757 . 1 1 82 82 ARG HD3 H 1 2.301 0.020 . 2 . . . . 82 ARG HD3 . 16250 1 758 . 1 1 82 82 ARG HG2 H 1 1.345 0.020 . 2 . . . . 82 ARG HG2 . 16250 1 759 . 1 1 82 82 ARG HG3 H 1 1.265 0.020 . 2 . . . . 82 ARG HG3 . 16250 1 760 . 1 1 82 82 ARG CA C 13 53.982 0.400 . 1 . . . . 82 ARG CA . 16250 1 761 . 1 1 82 82 ARG CB C 13 33.303 0.400 . 1 . . . . 82 ARG CB . 16250 1 762 . 1 1 82 82 ARG CD C 13 43.606 0.400 . 1 . . . . 82 ARG CD . 16250 1 763 . 1 1 82 82 ARG CG C 13 25.844 0.400 . 1 . . . . 82 ARG CG . 16250 1 764 . 1 1 82 82 ARG N N 15 117.518 0.400 . 1 . . . . 82 ARG N . 16250 1 765 . 1 1 83 83 MET H H 1 9.038 0.020 . 1 . . . . 83 MET H . 16250 1 766 . 1 1 83 83 MET HA H 1 6.142 0.020 . 1 . . . . 83 MET HA . 16250 1 767 . 1 1 83 83 MET HB2 H 1 2.537 0.020 . 2 . . . . 83 MET HB2 . 16250 1 768 . 1 1 83 83 MET HB3 H 1 1.961 0.020 . 2 . . . . 83 MET HB3 . 16250 1 769 . 1 1 83 83 MET HE1 H 1 1.516 0.020 . 1 . . . . 83 MET HE1 . 16250 1 770 . 1 1 83 83 MET HE2 H 1 1.516 0.020 . 1 . . . . 83 MET HE2 . 16250 1 771 . 1 1 83 83 MET HE3 H 1 1.516 0.020 . 1 . . . . 83 MET HE3 . 16250 1 772 . 1 1 83 83 MET HG2 H 1 2.739 0.020 . 2 . . . . 83 MET HG2 . 16250 1 773 . 1 1 83 83 MET HG3 H 1 2.629 0.020 . 2 . . . . 83 MET HG3 . 16250 1 774 . 1 1 83 83 MET CA C 13 55.586 0.400 . 1 . . . . 83 MET CA . 16250 1 775 . 1 1 83 83 MET CB C 13 38.610 0.400 . 1 . . . . 83 MET CB . 16250 1 776 . 1 1 83 83 MET CE C 13 19.708 0.400 . 1 . . . . 83 MET CE . 16250 1 777 . 1 1 83 83 MET CG C 13 33.778 0.400 . 1 . . . . 83 MET CG . 16250 1 778 . 1 1 83 83 MET N N 15 120.510 0.400 . 1 . . . . 83 MET N . 16250 1 779 . 1 1 84 84 ASP H H 1 7.586 0.020 . 1 . . . . 84 ASP H . 16250 1 780 . 1 1 84 84 ASP HA H 1 5.259 0.020 . 1 . . . . 84 ASP HA . 16250 1 781 . 1 1 84 84 ASP HB2 H 1 3.049 0.020 . 2 . . . . 84 ASP HB2 . 16250 1 782 . 1 1 84 84 ASP HB3 H 1 2.564 0.020 . 2 . . . . 84 ASP HB3 . 16250 1 783 . 1 1 84 84 ASP CA C 13 51.182 0.400 . 1 . . . . 84 ASP CA . 16250 1 784 . 1 1 84 84 ASP CB C 13 42.047 0.400 . 1 . . . . 84 ASP CB . 16250 1 785 . 1 1 84 84 ASP N N 15 122.321 0.400 . 1 . . . . 84 ASP N . 16250 1 786 . 1 1 85 85 GLN H H 1 7.988 0.020 . 1 . . . . 85 GLN H . 16250 1 787 . 1 1 85 85 GLN HA H 1 2.609 0.020 . 1 . . . . 85 GLN HA . 16250 1 788 . 1 1 85 85 GLN HB2 H 1 1.581 0.020 . 2 . . . . 85 GLN HB2 . 16250 1 789 . 1 1 85 85 GLN HB3 H 1 1.482 0.020 . 2 . . . . 85 GLN HB3 . 16250 1 790 . 1 1 85 85 GLN HE21 H 1 7.060 0.020 . 2 . . . . 85 GLN HE21 . 16250 1 791 . 1 1 85 85 GLN HE22 H 1 6.891 0.020 . 2 . . . . 85 GLN HE22 . 16250 1 792 . 1 1 85 85 GLN HG2 H 1 1.655 0.020 . 2 . . . . 85 GLN HG2 . 16250 1 793 . 1 1 85 85 GLN HG3 H 1 1.530 0.020 . 2 . . . . 85 GLN HG3 . 16250 1 794 . 1 1 85 85 GLN CA C 13 58.909 0.400 . 1 . . . . 85 GLN CA . 16250 1 795 . 1 1 85 85 GLN CB C 13 29.346 0.400 . 1 . . . . 85 GLN CB . 16250 1 796 . 1 1 85 85 GLN CG C 13 34.601 0.400 . 1 . . . . 85 GLN CG . 16250 1 797 . 1 1 85 85 GLN N N 15 115.617 0.400 . 1 . . . . 85 GLN N . 16250 1 798 . 1 1 85 85 GLN NE2 N 15 110.121 0.400 . 1 . . . . 85 GLN NE2 . 16250 1 799 . 1 1 86 86 VAL H H 1 7.357 0.020 . 1 . . . . 86 VAL H . 16250 1 800 . 1 1 86 86 VAL HA H 1 3.557 0.020 . 1 . . . . 86 VAL HA . 16250 1 801 . 1 1 86 86 VAL HB H 1 2.204 0.020 . 1 . . . . 86 VAL HB . 16250 1 802 . 1 1 86 86 VAL HG11 H 1 0.975 0.020 . 2 . . . . 86 VAL HG11 . 16250 1 803 . 1 1 86 86 VAL HG12 H 1 0.975 0.020 . 2 . . . . 86 VAL HG12 . 16250 1 804 . 1 1 86 86 VAL HG13 H 1 0.975 0.020 . 2 . . . . 86 VAL HG13 . 16250 1 805 . 1 1 86 86 VAL HG21 H 1 0.983 0.020 . 2 . . . . 86 VAL HG21 . 16250 1 806 . 1 1 86 86 VAL HG22 H 1 0.983 0.020 . 2 . . . . 86 VAL HG22 . 16250 1 807 . 1 1 86 86 VAL HG23 H 1 0.983 0.020 . 2 . . . . 86 VAL HG23 . 16250 1 808 . 1 1 86 86 VAL CA C 13 66.117 0.400 . 1 . . . . 86 VAL CA . 16250 1 809 . 1 1 86 86 VAL CB C 13 31.538 0.400 . 1 . . . . 86 VAL CB . 16250 1 810 . 1 1 86 86 VAL CG1 C 13 20.597 0.400 . 1 . . . . 86 VAL CG1 . 16250 1 811 . 1 1 86 86 VAL CG2 C 13 20.596 0.400 . 1 . . . . 86 VAL CG2 . 16250 1 812 . 1 1 86 86 VAL N N 15 120.551 0.400 . 1 . . . . 86 VAL N . 16250 1 813 . 1 1 87 87 GLU H H 1 8.375 0.020 . 1 . . . . 87 GLU H . 16250 1 814 . 1 1 87 87 GLU HA H 1 3.908 0.020 . 1 . . . . 87 GLU HA . 16250 1 815 . 1 1 87 87 GLU HB2 H 1 2.203 0.020 . 2 . . . . 87 GLU HB2 . 16250 1 816 . 1 1 87 87 GLU HB3 H 1 2.195 0.020 . 2 . . . . 87 GLU HB3 . 16250 1 817 . 1 1 87 87 GLU HG2 H 1 3.077 0.020 . 2 . . . . 87 GLU HG2 . 16250 1 818 . 1 1 87 87 GLU HG3 H 1 2.584 0.020 . 2 . . . . 87 GLU HG3 . 16250 1 819 . 1 1 87 87 GLU CA C 13 59.424 0.400 . 1 . . . . 87 GLU CA . 16250 1 820 . 1 1 87 87 GLU CB C 13 31.466 0.400 . 1 . . . . 87 GLU CB . 16250 1 821 . 1 1 87 87 GLU CG C 13 37.237 0.400 . 1 . . . . 87 GLU CG . 16250 1 822 . 1 1 87 87 GLU N N 15 119.417 0.400 . 1 . . . . 87 GLU N . 16250 1 823 . 1 1 88 88 PHE H H 1 8.482 0.020 . 1 . . . . 88 PHE H . 16250 1 824 . 1 1 88 88 PHE HA H 1 4.427 0.020 . 1 . . . . 88 PHE HA . 16250 1 825 . 1 1 88 88 PHE HB2 H 1 3.169 0.020 . 2 . . . . 88 PHE HB2 . 16250 1 826 . 1 1 88 88 PHE HB3 H 1 2.909 0.020 . 2 . . . . 88 PHE HB3 . 16250 1 827 . 1 1 88 88 PHE HD1 H 1 7.468 0.020 . 1 . . . . 88 PHE HD1 . 16250 1 828 . 1 1 88 88 PHE CA C 13 62.061 0.400 . 1 . . . . 88 PHE CA . 16250 1 829 . 1 1 88 88 PHE CB C 13 40.726 0.400 . 1 . . . . 88 PHE CB . 16250 1 830 . 1 1 88 88 PHE CD1 C 13 132.161 0.400 . 1 . . . . 88 PHE CD1 . 16250 1 831 . 1 1 88 88 PHE N N 15 117.094 0.400 . 1 . . . . 88 PHE N . 16250 1 832 . 1 1 89 89 SER H H 1 7.490 0.020 . 1 . . . . 89 SER H . 16250 1 833 . 1 1 89 89 SER HA H 1 4.763 0.020 . 1 . . . . 89 SER HA . 16250 1 834 . 1 1 89 89 SER HB2 H 1 3.864 0.020 . 2 . . . . 89 SER HB2 . 16250 1 835 . 1 1 89 89 SER HB3 H 1 3.851 0.020 . 2 . . . . 89 SER HB3 . 16250 1 836 . 1 1 89 89 SER CA C 13 59.783 0.400 . 1 . . . . 89 SER CA . 16250 1 837 . 1 1 89 89 SER CB C 13 59.544 0.400 . 1 . . . . 89 SER CB . 16250 1 838 . 1 1 89 89 SER N N 15 113.424 0.400 . 1 . . . . 89 SER N . 16250 1 839 . 1 1 90 90 ILE H H 1 8.034 0.020 . 1 . . . . 90 ILE H . 16250 1 840 . 1 1 90 90 ILE HA H 1 3.506 0.020 . 1 . . . . 90 ILE HA . 16250 1 841 . 1 1 90 90 ILE HB H 1 2.063 0.020 . 1 . . . . 90 ILE HB . 16250 1 842 . 1 1 90 90 ILE HD11 H 1 0.878 0.020 . 1 . . . . 90 ILE HD11 . 16250 1 843 . 1 1 90 90 ILE HD12 H 1 0.878 0.020 . 1 . . . . 90 ILE HD12 . 16250 1 844 . 1 1 90 90 ILE HD13 H 1 0.878 0.020 . 1 . . . . 90 ILE HD13 . 16250 1 845 . 1 1 90 90 ILE HG12 H 1 1.995 0.020 . 2 . . . . 90 ILE HG12 . 16250 1 846 . 1 1 90 90 ILE HG13 H 1 0.966 0.020 . 2 . . . . 90 ILE HG13 . 16250 1 847 . 1 1 90 90 ILE HG21 H 1 0.848 0.020 . 1 . . . . 90 ILE HG21 . 16250 1 848 . 1 1 90 90 ILE HG22 H 1 0.848 0.020 . 1 . . . . 90 ILE HG22 . 16250 1 849 . 1 1 90 90 ILE HG23 H 1 0.848 0.020 . 1 . . . . 90 ILE HG23 . 16250 1 850 . 1 1 90 90 ILE CA C 13 66.098 0.400 . 1 . . . . 90 ILE CA . 16250 1 851 . 1 1 90 90 ILE CB C 13 37.905 0.400 . 1 . . . . 90 ILE CB . 16250 1 852 . 1 1 90 90 ILE CD1 C 13 14.906 0.400 . 1 . . . . 90 ILE CD1 . 16250 1 853 . 1 1 90 90 ILE CG1 C 13 30.214 0.400 . 1 . . . . 90 ILE CG1 . 16250 1 854 . 1 1 90 90 ILE CG2 C 13 17.360 0.400 . 1 . . . . 90 ILE CG2 . 16250 1 855 . 1 1 90 90 ILE N N 15 118.472 0.400 . 1 . . . . 90 ILE N . 16250 1 856 . 1 1 91 91 ALA H H 1 8.197 0.020 . 1 . . . . 91 ALA H . 16250 1 857 . 1 1 91 91 ALA HA H 1 4.286 0.020 . 1 . . . . 91 ALA HA . 16250 1 858 . 1 1 91 91 ALA HB1 H 1 1.362 0.020 . 1 . . . . 91 ALA HB1 . 16250 1 859 . 1 1 91 91 ALA HB2 H 1 1.362 0.020 . 1 . . . . 91 ALA HB2 . 16250 1 860 . 1 1 91 91 ALA HB3 H 1 1.362 0.020 . 1 . . . . 91 ALA HB3 . 16250 1 861 . 1 1 91 91 ALA CA C 13 52.435 0.400 . 1 . . . . 91 ALA CA . 16250 1 862 . 1 1 91 91 ALA CB C 13 19.091 0.400 . 1 . . . . 91 ALA CB . 16250 1 863 . 1 1 91 91 ALA N N 15 119.275 0.400 . 1 . . . . 91 ALA N . 16250 1 864 . 1 1 92 92 MET H H 1 8.183 0.020 . 1 . . . . 92 MET H . 16250 1 865 . 1 1 92 92 MET HA H 1 4.268 0.020 . 1 . . . . 92 MET HA . 16250 1 866 . 1 1 92 92 MET HB2 H 1 1.912 0.020 . 2 . . . . 92 MET HB2 . 16250 1 867 . 1 1 92 92 MET HB3 H 1 1.887 0.020 . 2 . . . . 92 MET HB3 . 16250 1 868 . 1 1 92 92 MET HG2 H 1 2.440 0.020 . 2 . . . . 92 MET HG2 . 16250 1 869 . 1 1 92 92 MET HG3 H 1 2.410 0.020 . 2 . . . . 92 MET HG3 . 16250 1 870 . 1 1 92 92 MET CA C 13 55.643 0.400 . 1 . . . . 92 MET CA . 16250 1 871 . 1 1 92 92 MET CB C 13 29.521 0.400 . 1 . . . . 92 MET CB . 16250 1 872 . 1 1 92 92 MET CG C 13 32.070 0.400 . 1 . . . . 92 MET CG . 16250 1 873 . 1 1 92 92 MET N N 15 118.681 0.400 . 1 . . . . 92 MET N . 16250 1 874 . 1 1 93 93 LYS H H 1 8.172 0.020 . 1 . . . . 93 LYS H . 16250 1 875 . 1 1 93 93 LYS HA H 1 4.006 0.020 . 1 . . . . 93 LYS HA . 16250 1 876 . 1 1 93 93 LYS HB2 H 1 1.790 0.020 . 2 . . . . 93 LYS HB2 . 16250 1 877 . 1 1 93 93 LYS HB3 H 1 1.780 0.020 . 2 . . . . 93 LYS HB3 . 16250 1 878 . 1 1 93 93 LYS CA C 13 56.840 0.400 . 1 . . . . 93 LYS CA . 16250 1 879 . 1 1 93 93 LYS CB C 13 32.830 0.400 . 1 . . . . 93 LYS CB . 16250 1 880 . 1 1 93 93 LYS N N 15 120.362 0.400 . 1 . . . . 93 LYS N . 16250 1 881 . 1 1 94 94 LEU H H 1 8.017 0.020 . 1 . . . . 94 LEU H . 16250 1 882 . 1 1 94 94 LEU HA H 1 3.884 0.020 . 1 . . . . 94 LEU HA . 16250 1 883 . 1 1 94 94 LEU HB2 H 1 2.128 0.020 . 2 . . . . 94 LEU HB2 . 16250 1 884 . 1 1 94 94 LEU HB3 H 1 1.066 0.020 . 2 . . . . 94 LEU HB3 . 16250 1 885 . 1 1 94 94 LEU HD11 H 1 0.842 0.020 . 2 . . . . 94 LEU HD11 . 16250 1 886 . 1 1 94 94 LEU HD12 H 1 0.842 0.020 . 2 . . . . 94 LEU HD12 . 16250 1 887 . 1 1 94 94 LEU HD13 H 1 0.842 0.020 . 2 . . . . 94 LEU HD13 . 16250 1 888 . 1 1 94 94 LEU HD21 H 1 0.844 0.020 . 2 . . . . 94 LEU HD21 . 16250 1 889 . 1 1 94 94 LEU HD22 H 1 0.844 0.020 . 2 . . . . 94 LEU HD22 . 16250 1 890 . 1 1 94 94 LEU HD23 H 1 0.844 0.020 . 2 . . . . 94 LEU HD23 . 16250 1 891 . 1 1 94 94 LEU HG H 1 0.871 0.020 . 1 . . . . 94 LEU HG . 16250 1 892 . 1 1 94 94 LEU CA C 13 58.234 0.400 . 1 . . . . 94 LEU CA . 16250 1 893 . 1 1 94 94 LEU CB C 13 42.050 0.400 . 1 . . . . 94 LEU CB . 16250 1 894 . 1 1 94 94 LEU CD1 C 13 22.569 0.400 . 1 . . . . 94 LEU CD1 . 16250 1 895 . 1 1 94 94 LEU CD2 C 13 22.564 0.400 . 1 . . . . 94 LEU CD2 . 16250 1 896 . 1 1 94 94 LEU CG C 13 26.770 0.400 . 1 . . . . 94 LEU CG . 16250 1 897 . 1 1 94 94 LEU N N 15 114.192 0.400 . 1 . . . . 94 LEU N . 16250 1 898 . 1 1 95 95 ILE H H 1 8.377 0.020 . 1 . . . . 95 ILE H . 16250 1 899 . 1 1 95 95 ILE HA H 1 3.254 0.020 . 1 . . . . 95 ILE HA . 16250 1 900 . 1 1 95 95 ILE HB H 1 1.840 0.020 . 1 . . . . 95 ILE HB . 16250 1 901 . 1 1 95 95 ILE HD11 H 1 0.460 0.020 . 1 . . . . 95 ILE HD11 . 16250 1 902 . 1 1 95 95 ILE HD12 H 1 0.460 0.020 . 1 . . . . 95 ILE HD12 . 16250 1 903 . 1 1 95 95 ILE HD13 H 1 0.460 0.020 . 1 . . . . 95 ILE HD13 . 16250 1 904 . 1 1 95 95 ILE HG12 H 1 0.555 0.020 . 2 . . . . 95 ILE HG12 . 16250 1 905 . 1 1 95 95 ILE HG13 H 1 0.553 0.020 . 2 . . . . 95 ILE HG13 . 16250 1 906 . 1 1 95 95 ILE HG21 H 1 0.861 0.020 . 1 . . . . 95 ILE HG21 . 16250 1 907 . 1 1 95 95 ILE HG22 H 1 0.861 0.020 . 1 . . . . 95 ILE HG22 . 16250 1 908 . 1 1 95 95 ILE HG23 H 1 0.861 0.020 . 1 . . . . 95 ILE HG23 . 16250 1 909 . 1 1 95 95 ILE CA C 13 66.013 0.400 . 1 . . . . 95 ILE CA . 16250 1 910 . 1 1 95 95 ILE CB C 13 38.284 0.400 . 1 . . . . 95 ILE CB . 16250 1 911 . 1 1 95 95 ILE CD1 C 13 13.588 0.400 . 1 . . . . 95 ILE CD1 . 16250 1 912 . 1 1 95 95 ILE CG1 C 13 31.095 0.400 . 1 . . . . 95 ILE CG1 . 16250 1 913 . 1 1 95 95 ILE CG2 C 13 16.651 0.400 . 1 . . . . 95 ILE CG2 . 16250 1 914 . 1 1 95 95 ILE N N 15 118.949 0.400 . 1 . . . . 95 ILE N . 16250 1 915 . 1 1 96 96 LYS H H 1 7.751 0.020 . 1 . . . . 96 LYS H . 16250 1 916 . 1 1 96 96 LYS HA H 1 3.928 0.020 . 1 . . . . 96 LYS HA . 16250 1 917 . 1 1 96 96 LYS HB2 H 1 2.085 0.020 . 2 . . . . 96 LYS HB2 . 16250 1 918 . 1 1 96 96 LYS HB3 H 1 2.056 0.020 . 2 . . . . 96 LYS HB3 . 16250 1 919 . 1 1 96 96 LYS HD2 H 1 1.652 0.020 . 2 . . . . 96 LYS HD2 . 16250 1 920 . 1 1 96 96 LYS HD3 H 1 1.641 0.020 . 2 . . . . 96 LYS HD3 . 16250 1 921 . 1 1 96 96 LYS HE2 H 1 2.968 0.020 . 2 . . . . 96 LYS HE2 . 16250 1 922 . 1 1 96 96 LYS HE3 H 1 2.946 0.020 . 2 . . . . 96 LYS HE3 . 16250 1 923 . 1 1 96 96 LYS HG2 H 1 1.494 0.020 . 2 . . . . 96 LYS HG2 . 16250 1 924 . 1 1 96 96 LYS HG3 H 1 1.245 0.020 . 2 . . . . 96 LYS HG3 . 16250 1 925 . 1 1 96 96 LYS CA C 13 59.701 0.400 . 1 . . . . 96 LYS CA . 16250 1 926 . 1 1 96 96 LYS CB C 13 32.286 0.400 . 1 . . . . 96 LYS CB . 16250 1 927 . 1 1 96 96 LYS CD C 13 28.780 0.400 . 1 . . . . 96 LYS CD . 16250 1 928 . 1 1 96 96 LYS CE C 13 42.045 0.400 . 1 . . . . 96 LYS CE . 16250 1 929 . 1 1 96 96 LYS CG C 13 24.539 0.400 . 1 . . . . 96 LYS CG . 16250 1 930 . 1 1 96 96 LYS N N 15 119.637 0.400 . 1 . . . . 96 LYS N . 16250 1 931 . 1 1 97 97 LEU H H 1 8.382 0.020 . 1 . . . . 97 LEU H . 16250 1 932 . 1 1 97 97 LEU HA H 1 4.006 0.020 . 1 . . . . 97 LEU HA . 16250 1 933 . 1 1 97 97 LEU HB2 H 1 1.613 0.020 . 2 . . . . 97 LEU HB2 . 16250 1 934 . 1 1 97 97 LEU HB3 H 1 0.783 0.020 . 2 . . . . 97 LEU HB3 . 16250 1 935 . 1 1 97 97 LEU HD11 H 1 0.023 0.020 . 2 . . . . 97 LEU HD11 . 16250 1 936 . 1 1 97 97 LEU HD12 H 1 0.023 0.020 . 2 . . . . 97 LEU HD12 . 16250 1 937 . 1 1 97 97 LEU HD13 H 1 0.023 0.020 . 2 . . . . 97 LEU HD13 . 16250 1 938 . 1 1 97 97 LEU HD21 H 1 -0.016 0.020 . 2 . . . . 97 LEU HD21 . 16250 1 939 . 1 1 97 97 LEU HD22 H 1 -0.016 0.020 . 2 . . . . 97 LEU HD22 . 16250 1 940 . 1 1 97 97 LEU HD23 H 1 -0.016 0.020 . 2 . . . . 97 LEU HD23 . 16250 1 941 . 1 1 97 97 LEU HG H 1 1.432 0.020 . 1 . . . . 97 LEU HG . 16250 1 942 . 1 1 97 97 LEU CA C 13 57.363 0.400 . 1 . . . . 97 LEU CA . 16250 1 943 . 1 1 97 97 LEU CB C 13 40.459 0.400 . 1 . . . . 97 LEU CB . 16250 1 944 . 1 1 97 97 LEU CD1 C 13 21.910 0.400 . 1 . . . . 97 LEU CD1 . 16250 1 945 . 1 1 97 97 LEU CD2 C 13 26.285 0.400 . 1 . . . . 97 LEU CD2 . 16250 1 946 . 1 1 97 97 LEU CG C 13 26.295 0.400 . 1 . . . . 97 LEU CG . 16250 1 947 . 1 1 97 97 LEU N N 15 117.727 0.400 . 1 . . . . 97 LEU N . 16250 1 948 . 1 1 98 98 LYS H H 1 8.761 0.020 . 1 . . . . 98 LYS H . 16250 1 949 . 1 1 98 98 LYS HA H 1 4.548 0.020 . 1 . . . . 98 LYS HA . 16250 1 950 . 1 1 98 98 LYS HB2 H 1 2.129 0.020 . 2 . . . . 98 LYS HB2 . 16250 1 951 . 1 1 98 98 LYS HB3 H 1 1.828 0.020 . 2 . . . . 98 LYS HB3 . 16250 1 952 . 1 1 98 98 LYS HD2 H 1 1.540 0.020 . 2 . . . . 98 LYS HD2 . 16250 1 953 . 1 1 98 98 LYS HD3 H 1 1.528 0.020 . 2 . . . . 98 LYS HD3 . 16250 1 954 . 1 1 98 98 LYS HE2 H 1 3.076 0.020 . 2 . . . . 98 LYS HE2 . 16250 1 955 . 1 1 98 98 LYS HE3 H 1 3.024 0.020 . 2 . . . . 98 LYS HE3 . 16250 1 956 . 1 1 98 98 LYS HG2 H 1 1.305 0.020 . 2 . . . . 98 LYS HG2 . 16250 1 957 . 1 1 98 98 LYS HG3 H 1 1.292 0.020 . 2 . . . . 98 LYS HG3 . 16250 1 958 . 1 1 98 98 LYS CA C 13 57.477 0.400 . 1 . . . . 98 LYS CA . 16250 1 959 . 1 1 98 98 LYS CB C 13 31.294 0.400 . 1 . . . . 98 LYS CB . 16250 1 960 . 1 1 98 98 LYS CD C 13 24.971 0.400 . 1 . . . . 98 LYS CD . 16250 1 961 . 1 1 98 98 LYS CE C 13 42.376 0.400 . 1 . . . . 98 LYS CE . 16250 1 962 . 1 1 98 98 LYS CG C 13 24.922 0.400 . 1 . . . . 98 LYS CG . 16250 1 963 . 1 1 98 98 LYS N N 15 122.255 0.400 . 1 . . . . 98 LYS N . 16250 1 964 . 1 1 99 99 LEU H H 1 8.798 0.020 . 1 . . . . 99 LEU H . 16250 1 965 . 1 1 99 99 LEU HA H 1 4.100 0.020 . 1 . . . . 99 LEU HA . 16250 1 966 . 1 1 99 99 LEU HB2 H 1 2.162 0.020 . 2 . . . . 99 LEU HB2 . 16250 1 967 . 1 1 99 99 LEU HB3 H 1 1.461 0.020 . 2 . . . . 99 LEU HB3 . 16250 1 968 . 1 1 99 99 LEU HD11 H 1 0.906 0.020 . 2 . . . . 99 LEU HD11 . 16250 1 969 . 1 1 99 99 LEU HD12 H 1 0.906 0.020 . 2 . . . . 99 LEU HD12 . 16250 1 970 . 1 1 99 99 LEU HD13 H 1 0.906 0.020 . 2 . . . . 99 LEU HD13 . 16250 1 971 . 1 1 99 99 LEU HD21 H 1 0.903 0.020 . 2 . . . . 99 LEU HD21 . 16250 1 972 . 1 1 99 99 LEU HD22 H 1 0.903 0.020 . 2 . . . . 99 LEU HD22 . 16250 1 973 . 1 1 99 99 LEU HD23 H 1 0.903 0.020 . 2 . . . . 99 LEU HD23 . 16250 1 974 . 1 1 99 99 LEU HG H 1 1.792 0.020 . 1 . . . . 99 LEU HG . 16250 1 975 . 1 1 99 99 LEU CA C 13 57.878 0.400 . 1 . . . . 99 LEU CA . 16250 1 976 . 1 1 99 99 LEU CB C 13 41.605 0.400 . 1 . . . . 99 LEU CB . 16250 1 977 . 1 1 99 99 LEU CD1 C 13 22.695 0.400 . 1 . . . . 99 LEU CD1 . 16250 1 978 . 1 1 99 99 LEU CD2 C 13 22.648 0.400 . 1 . . . . 99 LEU CD2 . 16250 1 979 . 1 1 99 99 LEU CG C 13 27.161 0.400 . 1 . . . . 99 LEU CG . 16250 1 980 . 1 1 99 99 LEU N N 15 122.214 0.400 . 1 . . . . 99 LEU N . 16250 1 981 . 1 1 100 100 GLN H H 1 7.749 0.020 . 1 . . . . 100 GLN H . 16250 1 982 . 1 1 100 100 GLN HA H 1 4.285 0.020 . 1 . . . . 100 GLN HA . 16250 1 983 . 1 1 100 100 GLN HB2 H 1 2.388 0.020 . 2 . . . . 100 GLN HB2 . 16250 1 984 . 1 1 100 100 GLN HB3 H 1 2.373 0.020 . 2 . . . . 100 GLN HB3 . 16250 1 985 . 1 1 100 100 GLN HE21 H 1 7.619 0.020 . 2 . . . . 100 GLN HE21 . 16250 1 986 . 1 1 100 100 GLN HE22 H 1 7.576 0.020 . 2 . . . . 100 GLN HE22 . 16250 1 987 . 1 1 100 100 GLN HG2 H 1 2.689 0.020 . 2 . . . . 100 GLN HG2 . 16250 1 988 . 1 1 100 100 GLN HG3 H 1 2.374 0.020 . 2 . . . . 100 GLN HG3 . 16250 1 989 . 1 1 100 100 GLN CA C 13 56.503 0.400 . 1 . . . . 100 GLN CA . 16250 1 990 . 1 1 100 100 GLN CB C 13 29.576 0.400 . 1 . . . . 100 GLN CB . 16250 1 991 . 1 1 100 100 GLN CG C 13 34.557 0.400 . 1 . . . . 100 GLN CG . 16250 1 992 . 1 1 100 100 GLN N N 15 116.914 0.400 . 1 . . . . 100 GLN N . 16250 1 993 . 1 1 101 101 GLY H H 1 7.910 0.020 . 1 . . . . 101 GLY H . 16250 1 994 . 1 1 101 101 GLY HA2 H 1 4.262 0.020 . 2 . . . . 101 GLY HA2 . 16250 1 995 . 1 1 101 101 GLY HA3 H 1 3.661 0.020 . 2 . . . . 101 GLY HA3 . 16250 1 996 . 1 1 101 101 GLY CA C 13 44.884 0.400 . 1 . . . . 101 GLY CA . 16250 1 997 . 1 1 101 101 GLY N N 15 106.044 0.400 . 1 . . . . 101 GLY N . 16250 1 998 . 1 1 102 102 TYR H H 1 8.078 0.020 . 1 . . . . 102 TYR H . 16250 1 999 . 1 1 102 102 TYR HA H 1 4.311 0.020 . 1 . . . . 102 TYR HA . 16250 1 1000 . 1 1 102 102 TYR HB2 H 1 2.960 0.020 . 2 . . . . 102 TYR HB2 . 16250 1 1001 . 1 1 102 102 TYR HB3 H 1 2.441 0.020 . 2 . . . . 102 TYR HB3 . 16250 1 1002 . 1 1 102 102 TYR HD1 H 1 7.297 0.020 . 1 . . . . 102 TYR HD1 . 16250 1 1003 . 1 1 102 102 TYR HD2 H 1 7.297 0.020 . 1 . . . . 102 TYR HD2 . 16250 1 1004 . 1 1 102 102 TYR HE1 H 1 6.697 0.020 . 1 . . . . 102 TYR HE1 . 16250 1 1005 . 1 1 102 102 TYR HE2 H 1 6.697 0.020 . 1 . . . . 102 TYR HE2 . 16250 1 1006 . 1 1 102 102 TYR CA C 13 59.253 0.400 . 1 . . . . 102 TYR CA . 16250 1 1007 . 1 1 102 102 TYR CB C 13 37.849 0.400 . 1 . . . . 102 TYR CB . 16250 1 1008 . 1 1 102 102 TYR CD1 C 13 133.054 0.400 . 1 . . . . 102 TYR CD1 . 16250 1 1009 . 1 1 102 102 TYR CE1 C 13 117.810 0.400 . 1 . . . . 102 TYR CE1 . 16250 1 1010 . 1 1 102 102 TYR N N 15 120.876 0.400 . 1 . . . . 102 TYR N . 16250 1 1011 . 1 1 103 103 GLN H H 1 8.610 0.020 . 1 . . . . 103 GLN H . 16250 1 1012 . 1 1 103 103 GLN HA H 1 4.280 0.020 . 1 . . . . 103 GLN HA . 16250 1 1013 . 1 1 103 103 GLN HB2 H 1 2.050 0.020 . 2 . . . . 103 GLN HB2 . 16250 1 1014 . 1 1 103 103 GLN HB3 H 1 2.035 0.020 . 2 . . . . 103 GLN HB3 . 16250 1 1015 . 1 1 103 103 GLN CA C 13 56.620 0.400 . 1 . . . . 103 GLN CA . 16250 1 1016 . 1 1 103 103 GLN CB C 13 29.100 0.400 . 1 . . . . 103 GLN CB . 16250 1 1017 . 1 1 103 103 GLN N N 15 119.785 0.400 . 1 . . . . 103 GLN N . 16250 1 1018 . 1 1 105 105 PRO HA H 1 4.631 0.020 . 1 . . . . 105 PRO HA . 16250 1 1019 . 1 1 105 105 PRO HB2 H 1 2.176 0.020 . 2 . . . . 105 PRO HB2 . 16250 1 1020 . 1 1 105 105 PRO HB3 H 1 1.924 0.020 . 2 . . . . 105 PRO HB3 . 16250 1 1021 . 1 1 105 105 PRO HD2 H 1 3.640 0.020 . 2 . . . . 105 PRO HD2 . 16250 1 1022 . 1 1 105 105 PRO HD3 H 1 3.630 0.020 . 2 . . . . 105 PRO HD3 . 16250 1 1023 . 1 1 105 105 PRO HG2 H 1 1.929 0.020 . 2 . . . . 105 PRO HG2 . 16250 1 1024 . 1 1 105 105 PRO HG3 H 1 1.920 0.020 . 2 . . . . 105 PRO HG3 . 16250 1 1025 . 1 1 105 105 PRO CA C 13 61.602 0.400 . 1 . . . . 105 PRO CA . 16250 1 1026 . 1 1 105 105 PRO CB C 13 31.690 0.400 . 1 . . . . 105 PRO CB . 16250 1 1027 . 1 1 105 105 PRO CD C 13 50.280 0.400 . 1 . . . . 105 PRO CD . 16250 1 1028 . 1 1 105 105 PRO CG C 13 27.140 0.400 . 1 . . . . 105 PRO CG . 16250 1 1029 . 1 1 106 106 SER H H 1 8.485 0.020 . 1 . . . . 106 SER H . 16250 1 1030 . 1 1 106 106 SER HA H 1 4.183 0.020 . 1 . . . . 106 SER HA . 16250 1 1031 . 1 1 106 106 SER HB2 H 1 3.882 0.020 . 2 . . . . 106 SER HB2 . 16250 1 1032 . 1 1 106 106 SER HB3 H 1 3.850 0.020 . 2 . . . . 106 SER HB3 . 16250 1 1033 . 1 1 106 106 SER CA C 13 59.525 0.400 . 1 . . . . 106 SER CA . 16250 1 1034 . 1 1 106 106 SER CB C 13 63.078 0.400 . 1 . . . . 106 SER CB . 16250 1 1035 . 1 1 106 106 SER N N 15 112.361 0.400 . 1 . . . . 106 SER N . 16250 1 1036 . 1 1 107 107 ALA H H 1 7.410 0.020 . 1 . . . . 107 ALA H . 16250 1 1037 . 1 1 107 107 ALA HA H 1 4.308 0.020 . 1 . . . . 107 ALA HA . 16250 1 1038 . 1 1 107 107 ALA HB1 H 1 1.204 0.020 . 1 . . . . 107 ALA HB1 . 16250 1 1039 . 1 1 107 107 ALA HB2 H 1 1.204 0.020 . 1 . . . . 107 ALA HB2 . 16250 1 1040 . 1 1 107 107 ALA HB3 H 1 1.204 0.020 . 1 . . . . 107 ALA HB3 . 16250 1 1041 . 1 1 107 107 ALA CA C 13 50.086 0.400 . 1 . . . . 107 ALA CA . 16250 1 1042 . 1 1 107 107 ALA CB C 13 21.253 0.400 . 1 . . . . 107 ALA CB . 16250 1 1043 . 1 1 107 107 ALA N N 15 121.311 0.400 . 1 . . . . 107 ALA N . 16250 1 1044 . 1 1 108 108 LEU H H 1 8.915 0.020 . 1 . . . . 108 LEU H . 16250 1 1045 . 1 1 108 108 LEU HA H 1 4.020 0.020 . 1 . . . . 108 LEU HA . 16250 1 1046 . 1 1 108 108 LEU HB2 H 1 1.479 0.020 . 2 . . . . 108 LEU HB2 . 16250 1 1047 . 1 1 108 108 LEU HB3 H 1 1.392 0.020 . 2 . . . . 108 LEU HB3 . 16250 1 1048 . 1 1 108 108 LEU HD11 H 1 0.924 0.020 . 2 . . . . 108 LEU HD11 . 16250 1 1049 . 1 1 108 108 LEU HD12 H 1 0.924 0.020 . 2 . . . . 108 LEU HD12 . 16250 1 1050 . 1 1 108 108 LEU HD13 H 1 0.924 0.020 . 2 . . . . 108 LEU HD13 . 16250 1 1051 . 1 1 108 108 LEU HD21 H 1 0.862 0.020 . 2 . . . . 108 LEU HD21 . 16250 1 1052 . 1 1 108 108 LEU HD22 H 1 0.862 0.020 . 2 . . . . 108 LEU HD22 . 16250 1 1053 . 1 1 108 108 LEU HD23 H 1 0.862 0.020 . 2 . . . . 108 LEU HD23 . 16250 1 1054 . 1 1 108 108 LEU HG H 1 1.551 0.020 . 1 . . . . 108 LEU HG . 16250 1 1055 . 1 1 108 108 LEU CA C 13 52.990 0.400 . 1 . . . . 108 LEU CA . 16250 1 1056 . 1 1 108 108 LEU CB C 13 42.041 0.400 . 1 . . . . 108 LEU CB . 16250 1 1057 . 1 1 108 108 LEU CD1 C 13 26.513 0.400 . 1 . . . . 108 LEU CD1 . 16250 1 1058 . 1 1 108 108 LEU CD2 C 13 25.593 0.400 . 1 . . . . 108 LEU CD2 . 16250 1 1059 . 1 1 108 108 LEU CG C 13 25.951 0.400 . 1 . . . . 108 LEU CG . 16250 1 1060 . 1 1 108 108 LEU N N 15 122.607 0.400 . 1 . . . . 108 LEU N . 16250 1 1061 . 1 1 110 110 PRO HA H 1 4.024 0.020 . 1 . . . . 110 PRO HA . 16250 1 1062 . 1 1 110 110 PRO HB2 H 1 2.346 0.020 . 2 . . . . 110 PRO HB2 . 16250 1 1063 . 1 1 110 110 PRO HB3 H 1 1.925 0.020 . 2 . . . . 110 PRO HB3 . 16250 1 1064 . 1 1 110 110 PRO HD2 H 1 3.879 0.020 . 2 . . . . 110 PRO HD2 . 16250 1 1065 . 1 1 110 110 PRO HD3 H 1 3.759 0.020 . 2 . . . . 110 PRO HD3 . 16250 1 1066 . 1 1 110 110 PRO HG2 H 1 2.070 0.020 . 2 . . . . 110 PRO HG2 . 16250 1 1067 . 1 1 110 110 PRO HG3 H 1 2.005 0.020 . 2 . . . . 110 PRO HG3 . 16250 1 1068 . 1 1 110 110 PRO CA C 13 65.440 0.400 . 1 . . . . 110 PRO CA . 16250 1 1069 . 1 1 110 110 PRO CB C 13 31.638 0.400 . 1 . . . . 110 PRO CB . 16250 1 1070 . 1 1 110 110 PRO CD C 13 50.280 0.400 . 1 . . . . 110 PRO CD . 16250 1 1071 . 1 1 110 110 PRO CG C 13 27.140 0.400 . 1 . . . . 110 PRO CG . 16250 1 1072 . 1 1 111 111 VAL H H 1 8.118 0.020 . 1 . . . . 111 VAL H . 16250 1 1073 . 1 1 111 111 VAL HA H 1 3.986 0.020 . 1 . . . . 111 VAL HA . 16250 1 1074 . 1 1 111 111 VAL HB H 1 2.204 0.020 . 1 . . . . 111 VAL HB . 16250 1 1075 . 1 1 111 111 VAL HG11 H 1 1.026 0.020 . 2 . . . . 111 VAL HG11 . 16250 1 1076 . 1 1 111 111 VAL HG12 H 1 1.026 0.020 . 2 . . . . 111 VAL HG12 . 16250 1 1077 . 1 1 111 111 VAL HG13 H 1 1.026 0.020 . 2 . . . . 111 VAL HG13 . 16250 1 1078 . 1 1 111 111 VAL HG21 H 1 0.861 0.020 . 2 . . . . 111 VAL HG21 . 16250 1 1079 . 1 1 111 111 VAL HG22 H 1 0.861 0.020 . 2 . . . . 111 VAL HG22 . 16250 1 1080 . 1 1 111 111 VAL HG23 H 1 0.861 0.020 . 2 . . . . 111 VAL HG23 . 16250 1 1081 . 1 1 111 111 VAL CA C 13 63.779 0.400 . 1 . . . . 111 VAL CA . 16250 1 1082 . 1 1 111 111 VAL CB C 13 31.065 0.400 . 1 . . . . 111 VAL CB . 16250 1 1083 . 1 1 111 111 VAL CG1 C 13 21.380 0.400 . 1 . . . . 111 VAL CG1 . 16250 1 1084 . 1 1 111 111 VAL CG2 C 13 20.145 0.400 . 1 . . . . 111 VAL CG2 . 16250 1 1085 . 1 1 111 111 VAL N N 15 115.605 0.400 . 1 . . . . 111 VAL N . 16250 1 1086 . 1 1 112 112 MET H H 1 7.908 0.020 . 1 . . . . 112 MET H . 16250 1 1087 . 1 1 112 112 MET HA H 1 4.160 0.020 . 1 . . . . 112 MET HA . 16250 1 1088 . 1 1 112 112 MET HB2 H 1 2.854 0.020 . 2 . . . . 112 MET HB2 . 16250 1 1089 . 1 1 112 112 MET HB3 H 1 2.779 0.020 . 2 . . . . 112 MET HB3 . 16250 1 1090 . 1 1 112 112 MET HE1 H 1 2.312 0.020 . 1 . . . . 112 MET HE1 . 16250 1 1091 . 1 1 112 112 MET HE2 H 1 2.312 0.020 . 1 . . . . 112 MET HE2 . 16250 1 1092 . 1 1 112 112 MET HE3 H 1 2.312 0.020 . 1 . . . . 112 MET HE3 . 16250 1 1093 . 1 1 112 112 MET HG2 H 1 2.256 0.020 . 2 . . . . 112 MET HG2 . 16250 1 1094 . 1 1 112 112 MET HG3 H 1 1.983 0.020 . 2 . . . . 112 MET HG3 . 16250 1 1095 . 1 1 112 112 MET CA C 13 59.098 0.400 . 1 . . . . 112 MET CA . 16250 1 1096 . 1 1 112 112 MET CB C 13 34.024 0.400 . 1 . . . . 112 MET CB . 16250 1 1097 . 1 1 112 112 MET CE C 13 17.971 0.400 . 1 . . . . 112 MET CE . 16250 1 1098 . 1 1 112 112 MET CG C 13 33.577 0.400 . 1 . . . . 112 MET CG . 16250 1 1099 . 1 1 112 112 MET N N 15 118.943 0.400 . 1 . . . . 112 MET N . 16250 1 1100 . 1 1 113 113 LYS H H 1 7.330 0.020 . 1 . . . . 113 LYS H . 16250 1 1101 . 1 1 113 113 LYS HA H 1 4.182 0.020 . 1 . . . . 113 LYS HA . 16250 1 1102 . 1 1 113 113 LYS HB2 H 1 1.931 0.020 . 2 . . . . 113 LYS HB2 . 16250 1 1103 . 1 1 113 113 LYS HB3 H 1 1.748 0.020 . 2 . . . . 113 LYS HB3 . 16250 1 1104 . 1 1 113 113 LYS HD2 H 1 1.691 0.020 . 2 . . . . 113 LYS HD2 . 16250 1 1105 . 1 1 113 113 LYS HD3 H 1 1.687 0.020 . 2 . . . . 113 LYS HD3 . 16250 1 1106 . 1 1 113 113 LYS HE2 H 1 2.915 0.020 . 2 . . . . 113 LYS HE2 . 16250 1 1107 . 1 1 113 113 LYS HE3 H 1 2.911 0.020 . 2 . . . . 113 LYS HE3 . 16250 1 1108 . 1 1 113 113 LYS HG2 H 1 1.338 0.020 . 2 . . . . 113 LYS HG2 . 16250 1 1109 . 1 1 113 113 LYS HG3 H 1 1.328 0.020 . 2 . . . . 113 LYS HG3 . 16250 1 1110 . 1 1 113 113 LYS CA C 13 55.987 0.400 . 1 . . . . 113 LYS CA . 16250 1 1111 . 1 1 113 113 LYS CB C 13 32.841 0.400 . 1 . . . . 113 LYS CB . 16250 1 1112 . 1 1 113 113 LYS CD C 13 29.439 0.400 . 1 . . . . 113 LYS CD . 16250 1 1113 . 1 1 113 113 LYS CE C 13 42.045 0.400 . 1 . . . . 113 LYS CE . 16250 1 1114 . 1 1 113 113 LYS CG C 13 25.423 0.400 . 1 . . . . 113 LYS CG . 16250 1 1115 . 1 1 113 113 LYS N N 15 112.617 0.400 . 1 . . . . 113 LYS N . 16250 1 1116 . 1 1 114 114 GLN H H 1 7.114 0.020 . 1 . . . . 114 GLN H . 16250 1 1117 . 1 1 114 114 GLN HA H 1 4.309 0.020 . 1 . . . . 114 GLN HA . 16250 1 1118 . 1 1 114 114 GLN HB2 H 1 2.169 0.020 . 2 . . . . 114 GLN HB2 . 16250 1 1119 . 1 1 114 114 GLN HB3 H 1 2.096 0.020 . 2 . . . . 114 GLN HB3 . 16250 1 1120 . 1 1 114 114 GLN HE21 H 1 7.454 0.020 . 2 . . . . 114 GLN HE21 . 16250 1 1121 . 1 1 114 114 GLN HE22 H 1 6.891 0.020 . 2 . . . . 114 GLN HE22 . 16250 1 1122 . 1 1 114 114 GLN HG2 H 1 2.437 0.020 . 2 . . . . 114 GLN HG2 . 16250 1 1123 . 1 1 114 114 GLN HG3 H 1 2.433 0.020 . 2 . . . . 114 GLN HG3 . 16250 1 1124 . 1 1 114 114 GLN CA C 13 54.956 0.400 . 1 . . . . 114 GLN CA . 16250 1 1125 . 1 1 114 114 GLN CB C 13 29.241 0.400 . 1 . . . . 114 GLN CB . 16250 1 1126 . 1 1 114 114 GLN CG C 13 33.720 0.400 . 1 . . . . 114 GLN CG . 16250 1 1127 . 1 1 114 114 GLN N N 15 117.852 0.400 . 1 . . . . 114 GLN N . 16250 1 1128 . 1 1 114 114 GLN NE2 N 15 111.589 0.400 . 1 . . . . 114 GLN NE2 . 16250 1 1129 . 1 1 115 115 GLN H H 1 8.556 0.020 . 1 . . . . 115 GLN H . 16250 1 1130 . 1 1 115 115 GLN HA H 1 4.501 0.020 . 1 . . . . 115 GLN HA . 16250 1 1131 . 1 1 115 115 GLN HB2 H 1 2.051 0.020 . 2 . . . . 115 GLN HB2 . 16250 1 1132 . 1 1 115 115 GLN HB3 H 1 1.980 0.020 . 2 . . . . 115 GLN HB3 . 16250 1 1133 . 1 1 115 115 GLN HE21 H 1 7.609 0.020 . 2 . . . . 115 GLN HE21 . 16250 1 1134 . 1 1 115 115 GLN HE22 H 1 6.857 0.020 . 2 . . . . 115 GLN HE22 . 16250 1 1135 . 1 1 115 115 GLN HG2 H 1 2.459 0.020 . 2 . . . . 115 GLN HG2 . 16250 1 1136 . 1 1 115 115 GLN HG3 H 1 2.450 0.020 . 2 . . . . 115 GLN HG3 . 16250 1 1137 . 1 1 115 115 GLN CA C 13 53.858 0.400 . 1 . . . . 115 GLN CA . 16250 1 1138 . 1 1 115 115 GLN CB C 13 28.234 0.400 . 1 . . . . 115 GLN CB . 16250 1 1139 . 1 1 115 115 GLN CG C 13 33.293 0.400 . 1 . . . . 115 GLN CG . 16250 1 1140 . 1 1 115 115 GLN N N 15 123.195 0.400 . 1 . . . . 115 GLN N . 16250 1 1141 . 1 1 115 115 GLN NE2 N 15 112.771 0.400 . 1 . . . . 115 GLN NE2 . 16250 1 1142 . 1 1 116 116 PRO HA H 1 4.530 0.020 . 1 . . . . 116 PRO HA . 16250 1 1143 . 1 1 116 116 PRO HB2 H 1 2.104 0.020 . 2 . . . . 116 PRO HB2 . 16250 1 1144 . 1 1 116 116 PRO HB3 H 1 1.706 0.020 . 2 . . . . 116 PRO HB3 . 16250 1 1145 . 1 1 116 116 PRO HD2 H 1 3.848 0.020 . 2 . . . . 116 PRO HD2 . 16250 1 1146 . 1 1 116 116 PRO HD3 H 1 3.602 0.020 . 2 . . . . 116 PRO HD3 . 16250 1 1147 . 1 1 116 116 PRO HG2 H 1 1.964 0.020 . 2 . . . . 116 PRO HG2 . 16250 1 1148 . 1 1 116 116 PRO HG3 H 1 1.923 0.020 . 2 . . . . 116 PRO HG3 . 16250 1 1149 . 1 1 116 116 PRO CA C 13 63.050 0.400 . 1 . . . . 116 PRO CA . 16250 1 1150 . 1 1 116 116 PRO CB C 13 31.953 0.400 . 1 . . . . 116 PRO CB . 16250 1 1151 . 1 1 116 116 PRO CD C 13 50.673 0.400 . 1 . . . . 116 PRO CD . 16250 1 1152 . 1 1 116 116 PRO CG C 13 27.565 0.400 . 1 . . . . 116 PRO CG . 16250 1 1153 . 1 1 117 117 VAL H H 1 8.345 0.020 . 1 . . . . 117 VAL H . 16250 1 1154 . 1 1 117 117 VAL HA H 1 4.167 0.020 . 1 . . . . 117 VAL HA . 16250 1 1155 . 1 1 117 117 VAL HB H 1 2.030 0.020 . 1 . . . . 117 VAL HB . 16250 1 1156 . 1 1 117 117 VAL HG11 H 1 0.935 0.020 . 2 . . . . 117 VAL HG11 . 16250 1 1157 . 1 1 117 117 VAL HG12 H 1 0.935 0.020 . 2 . . . . 117 VAL HG12 . 16250 1 1158 . 1 1 117 117 VAL HG13 H 1 0.935 0.020 . 2 . . . . 117 VAL HG13 . 16250 1 1159 . 1 1 117 117 VAL HG21 H 1 0.937 0.020 . 2 . . . . 117 VAL HG21 . 16250 1 1160 . 1 1 117 117 VAL HG22 H 1 0.937 0.020 . 2 . . . . 117 VAL HG22 . 16250 1 1161 . 1 1 117 117 VAL HG23 H 1 0.937 0.020 . 2 . . . . 117 VAL HG23 . 16250 1 1162 . 1 1 117 117 VAL CA C 13 61.258 0.400 . 1 . . . . 117 VAL CA . 16250 1 1163 . 1 1 117 117 VAL CB C 13 33.724 0.400 . 1 . . . . 117 VAL CB . 16250 1 1164 . 1 1 117 117 VAL CG1 C 13 21.029 0.400 . 1 . . . . 117 VAL CG1 . 16250 1 1165 . 1 1 117 117 VAL CG2 C 13 21.029 0.400 . 1 . . . . 117 VAL CG2 . 16250 1 1166 . 1 1 117 117 VAL N N 15 120.361 0.400 . 1 . . . . 117 VAL N . 16250 1 1167 . 1 1 118 118 ALA H H 1 8.470 0.020 . 1 . . . . 118 ALA H . 16250 1 1168 . 1 1 118 118 ALA HA H 1 4.452 0.020 . 1 . . . . 118 ALA HA . 16250 1 1169 . 1 1 118 118 ALA HB1 H 1 1.370 0.020 . 1 . . . . 118 ALA HB1 . 16250 1 1170 . 1 1 118 118 ALA HB2 H 1 1.370 0.020 . 1 . . . . 118 ALA HB2 . 16250 1 1171 . 1 1 118 118 ALA HB3 H 1 1.370 0.020 . 1 . . . . 118 ALA HB3 . 16250 1 1172 . 1 1 118 118 ALA CA C 13 51.678 0.400 . 1 . . . . 118 ALA CA . 16250 1 1173 . 1 1 118 118 ALA CB C 13 19.260 0.400 . 1 . . . . 118 ALA CB . 16250 1 1174 . 1 1 118 118 ALA N N 15 128.412 0.400 . 1 . . . . 118 ALA N . 16250 1 1175 . 1 1 119 119 ILE H H 1 8.250 0.020 . 1 . . . . 119 ILE H . 16250 1 1176 . 1 1 119 119 ILE HA H 1 4.240 0.020 . 1 . . . . 119 ILE HA . 16250 1 1177 . 1 1 119 119 ILE HB H 1 1.875 0.020 . 1 . . . . 119 ILE HB . 16250 1 1178 . 1 1 119 119 ILE HD11 H 1 0.846 0.020 . 1 . . . . 119 ILE HD11 . 16250 1 1179 . 1 1 119 119 ILE HD12 H 1 0.846 0.020 . 1 . . . . 119 ILE HD12 . 16250 1 1180 . 1 1 119 119 ILE HD13 H 1 0.846 0.020 . 1 . . . . 119 ILE HD13 . 16250 1 1181 . 1 1 119 119 ILE HG12 H 1 1.479 0.020 . 2 . . . . 119 ILE HG12 . 16250 1 1182 . 1 1 119 119 ILE HG13 H 1 1.207 0.020 . 2 . . . . 119 ILE HG13 . 16250 1 1183 . 1 1 119 119 ILE HG21 H 1 0.930 0.020 . 1 . . . . 119 ILE HG21 . 16250 1 1184 . 1 1 119 119 ILE HG22 H 1 0.930 0.020 . 1 . . . . 119 ILE HG22 . 16250 1 1185 . 1 1 119 119 ILE HG23 H 1 0.930 0.020 . 1 . . . . 119 ILE HG23 . 16250 1 1186 . 1 1 119 119 ILE CA C 13 60.743 0.400 . 1 . . . . 119 ILE CA . 16250 1 1187 . 1 1 119 119 ILE CB C 13 38.914 0.400 . 1 . . . . 119 ILE CB . 16250 1 1188 . 1 1 119 119 ILE CD1 C 13 12.720 0.400 . 1 . . . . 119 ILE CD1 . 16250 1 1189 . 1 1 119 119 ILE CG1 C 13 27.151 0.400 . 1 . . . . 119 ILE CG1 . 16250 1 1190 . 1 1 119 119 ILE CG2 C 13 17.533 0.400 . 1 . . . . 119 ILE CG2 . 16250 1 1191 . 1 1 119 119 ILE N N 15 120.929 0.400 . 1 . . . . 119 ILE N . 16250 1 1192 . 1 1 120 120 SER H H 1 8.413 0.020 . 1 . . . . 120 SER H . 16250 1 1193 . 1 1 120 120 SER HA H 1 4.543 0.020 . 1 . . . . 120 SER HA . 16250 1 1194 . 1 1 120 120 SER HB2 H 1 3.868 0.020 . 2 . . . . 120 SER HB2 . 16250 1 1195 . 1 1 120 120 SER HB3 H 1 3.856 0.020 . 2 . . . . 120 SER HB3 . 16250 1 1196 . 1 1 120 120 SER CA C 13 57.878 0.400 . 1 . . . . 120 SER CA . 16250 1 1197 . 1 1 120 120 SER CB C 13 63.951 0.400 . 1 . . . . 120 SER CB . 16250 1 1198 . 1 1 120 120 SER N N 15 120.494 0.400 . 1 . . . . 120 SER N . 16250 1 1199 . 1 1 121 121 SER H H 1 8.046 0.020 . 1 . . . . 121 SER H . 16250 1 1200 . 1 1 121 121 SER HA H 1 4.510 0.020 . 1 . . . . 121 SER HA . 16250 1 1201 . 1 1 121 121 SER HB2 H 1 3.880 0.020 . 2 . . . . 121 SER HB2 . 16250 1 1202 . 1 1 121 121 SER HB3 H 1 3.870 0.020 . 2 . . . . 121 SER HB3 . 16250 1 1203 . 1 1 121 121 SER CA C 13 58.570 0.400 . 1 . . . . 121 SER CA . 16250 1 1204 . 1 1 121 121 SER CB C 13 63.800 0.400 . 1 . . . . 121 SER CB . 16250 1 1205 . 1 1 121 121 SER N N 15 123.709 0.400 . 1 . . . . 121 SER N . 16250 1 stop_ save_