data_11097 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11097 _Entry.Title ; Solution structure of the fifth fibronectin type III domain of human Netrin receptor DCC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-19 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-17 _Entry.Original_release_date 2011-02-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11097 2 S. Koshiba . . . 11097 3 T. Tomizawa . . . 11097 4 T. Kigawa . . . 11097 5 S. Yokoyama . . . 11097 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11097 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11097 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 500 11097 '15N chemical shifts' 111 11097 '1H chemical shifts' 747 11097 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-02-17 2010-02-18 original author . 11097 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EDD 'BMRB Entry Tracking System' 11097 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11097 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the fifth fibronectin type III domain of human Netrin receptor DCC ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _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 N. Tochio . . . 11097 1 2 S. Koshiba . . . 11097 1 3 T. Tomizawa . . . 11097 1 4 T. Kigawa . . . 11097 1 5 S. Yokoyama . . . 11097 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11097 _Assembly.ID 1 _Assembly.Name 'Netrin receptor DCC' _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 'fifth fn3 domain' 1 $entity_1 A . yes native no no . . . 11097 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2edd . . . . . . 11097 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11097 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fifth fn3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGFPTSVPDLSTPML PPVGVQAVALTHDAVRVSWA DNSVPKNQKTSEVRLYTVRW RTSFSASAKYKSEDTTSLSY TATGLKPNTMYEFSVMVTKN RRSSTWSMTAHATTYEASGP SSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2EDD . "Solution Structure Of The Fifth Fibronectin Type Iii Domain Of Human Netrin Receptor Dcc" . . . . . 100.00 123 100.00 100.00 2.48e-81 . . . . 11097 1 2 no PDB 4URT . "The Crystal Structure Of A Fragment Of Netrin-1 In Complex With Fn5-fn6 Of Dcc" . . . . . 81.30 206 99.00 100.00 2.97e-62 . . . . 11097 1 3 no DBJ BAG63884 . "unnamed protein product [Homo sapiens]" . . . . . 87.80 897 97.22 99.07 1.98e-61 . . . . 11097 1 4 no DBJ BAI45499 . "protein deleted in colorectal carcinoma [synthetic construct]" . . . . . 90.24 1447 99.10 100.00 1.01e-64 . . . . 11097 1 5 no EMBL CAA53735 . "tumour suppressor [Homo sapiens]" . . . . . 90.24 1447 99.10 100.00 1.01e-64 . . . . 11097 1 6 no GB AAI52809 . "Deleted in colorectal carcinoma, partial [synthetic construct]" . . . . . 90.24 1447 99.10 100.00 1.01e-64 . . . . 11097 1 7 no GB EAW62991 . "deleted in colorectal carcinoma, isoform CRA_a [Homo sapiens]" . . . . . 90.24 1394 99.10 100.00 1.00e-64 . . . . 11097 1 8 no GB EAW62994 . "deleted in colorectal carcinoma, isoform CRA_d [Homo sapiens]" . . . . . 90.24 1396 99.10 100.00 1.01e-64 . . . . 11097 1 9 no GB EFB26812 . "hypothetical protein PANDA_002639, partial [Ailuropoda melanoleuca]" . . . . . 90.24 811 97.30 100.00 6.42e-65 . . . . 11097 1 10 no GB EHB03455 . "Netrin receptor DCC [Heterocephalus glaber]" . . . . . 90.24 1102 97.30 100.00 4.50e-64 . . . . 11097 1 11 no REF NP_005206 . "netrin receptor DCC [Homo sapiens]" . . . . . 90.24 1447 99.10 100.00 1.01e-64 . . . . 11097 1 12 no REF XP_001916613 . "PREDICTED: LOW QUALITY PROTEIN: netrin receptor DCC [Equus caballus]" . . . . . 90.24 1447 97.30 100.00 8.56e-64 . . . . 11097 1 13 no REF XP_002757292 . "PREDICTED: netrin receptor DCC isoform X1 [Callithrix jacchus]" . . . . . 90.24 1447 99.10 100.00 1.11e-64 . . . . 11097 1 14 no REF XP_002800982 . "PREDICTED: netrin receptor DCC-like [Macaca mulatta]" . . . . . 90.24 1446 99.10 100.00 9.30e-65 . . . . 11097 1 15 no REF XP_002828277 . "PREDICTED: netrin receptor DCC isoform X1 [Pongo abelii]" . . . . . 90.24 1295 99.10 100.00 9.78e-65 . . . . 11097 1 16 no SP P43146 . "RecName: Full=Netrin receptor DCC; AltName: Full=Colorectal cancer suppressor; AltName: Full=Immunoglobulin superfamily DCC sub" . . . . . 90.24 1447 99.10 100.00 1.01e-64 . . . . 11097 1 17 no TPG DAA15913 . "TPA: netrin receptor DCC-like [Bos taurus]" . . . . . 90.24 1492 97.30 100.00 1.02e-63 . . . . 11097 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11097 1 2 . SER . 11097 1 3 . SER . 11097 1 4 . GLY . 11097 1 5 . SER . 11097 1 6 . SER . 11097 1 7 . GLY . 11097 1 8 . PHE . 11097 1 9 . PRO . 11097 1 10 . THR . 11097 1 11 . SER . 11097 1 12 . VAL . 11097 1 13 . PRO . 11097 1 14 . ASP . 11097 1 15 . LEU . 11097 1 16 . SER . 11097 1 17 . THR . 11097 1 18 . PRO . 11097 1 19 . MET . 11097 1 20 . LEU . 11097 1 21 . PRO . 11097 1 22 . PRO . 11097 1 23 . VAL . 11097 1 24 . GLY . 11097 1 25 . VAL . 11097 1 26 . GLN . 11097 1 27 . ALA . 11097 1 28 . VAL . 11097 1 29 . ALA . 11097 1 30 . LEU . 11097 1 31 . THR . 11097 1 32 . HIS . 11097 1 33 . ASP . 11097 1 34 . ALA . 11097 1 35 . VAL . 11097 1 36 . ARG . 11097 1 37 . VAL . 11097 1 38 . SER . 11097 1 39 . TRP . 11097 1 40 . ALA . 11097 1 41 . ASP . 11097 1 42 . ASN . 11097 1 43 . SER . 11097 1 44 . VAL . 11097 1 45 . PRO . 11097 1 46 . LYS . 11097 1 47 . ASN . 11097 1 48 . GLN . 11097 1 49 . LYS . 11097 1 50 . THR . 11097 1 51 . SER . 11097 1 52 . GLU . 11097 1 53 . VAL . 11097 1 54 . ARG . 11097 1 55 . LEU . 11097 1 56 . TYR . 11097 1 57 . THR . 11097 1 58 . VAL . 11097 1 59 . ARG . 11097 1 60 . TRP . 11097 1 61 . ARG . 11097 1 62 . THR . 11097 1 63 . SER . 11097 1 64 . PHE . 11097 1 65 . SER . 11097 1 66 . ALA . 11097 1 67 . SER . 11097 1 68 . ALA . 11097 1 69 . LYS . 11097 1 70 . TYR . 11097 1 71 . LYS . 11097 1 72 . SER . 11097 1 73 . GLU . 11097 1 74 . ASP . 11097 1 75 . THR . 11097 1 76 . THR . 11097 1 77 . SER . 11097 1 78 . LEU . 11097 1 79 . SER . 11097 1 80 . TYR . 11097 1 81 . THR . 11097 1 82 . ALA . 11097 1 83 . THR . 11097 1 84 . GLY . 11097 1 85 . LEU . 11097 1 86 . LYS . 11097 1 87 . PRO . 11097 1 88 . ASN . 11097 1 89 . THR . 11097 1 90 . MET . 11097 1 91 . TYR . 11097 1 92 . GLU . 11097 1 93 . PHE . 11097 1 94 . SER . 11097 1 95 . VAL . 11097 1 96 . MET . 11097 1 97 . VAL . 11097 1 98 . THR . 11097 1 99 . LYS . 11097 1 100 . ASN . 11097 1 101 . ARG . 11097 1 102 . ARG . 11097 1 103 . SER . 11097 1 104 . SER . 11097 1 105 . THR . 11097 1 106 . TRP . 11097 1 107 . SER . 11097 1 108 . MET . 11097 1 109 . THR . 11097 1 110 . ALA . 11097 1 111 . HIS . 11097 1 112 . ALA . 11097 1 113 . THR . 11097 1 114 . THR . 11097 1 115 . TYR . 11097 1 116 . GLU . 11097 1 117 . ALA . 11097 1 118 . SER . 11097 1 119 . GLY . 11097 1 120 . PRO . 11097 1 121 . SER . 11097 1 122 . SER . 11097 1 123 . GLY . 11097 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11097 1 . SER 2 2 11097 1 . SER 3 3 11097 1 . GLY 4 4 11097 1 . SER 5 5 11097 1 . SER 6 6 11097 1 . GLY 7 7 11097 1 . PHE 8 8 11097 1 . PRO 9 9 11097 1 . THR 10 10 11097 1 . SER 11 11 11097 1 . VAL 12 12 11097 1 . PRO 13 13 11097 1 . ASP 14 14 11097 1 . LEU 15 15 11097 1 . SER 16 16 11097 1 . THR 17 17 11097 1 . PRO 18 18 11097 1 . MET 19 19 11097 1 . LEU 20 20 11097 1 . PRO 21 21 11097 1 . PRO 22 22 11097 1 . VAL 23 23 11097 1 . GLY 24 24 11097 1 . VAL 25 25 11097 1 . GLN 26 26 11097 1 . ALA 27 27 11097 1 . VAL 28 28 11097 1 . ALA 29 29 11097 1 . LEU 30 30 11097 1 . THR 31 31 11097 1 . HIS 32 32 11097 1 . ASP 33 33 11097 1 . ALA 34 34 11097 1 . VAL 35 35 11097 1 . ARG 36 36 11097 1 . VAL 37 37 11097 1 . SER 38 38 11097 1 . TRP 39 39 11097 1 . ALA 40 40 11097 1 . ASP 41 41 11097 1 . ASN 42 42 11097 1 . SER 43 43 11097 1 . VAL 44 44 11097 1 . PRO 45 45 11097 1 . LYS 46 46 11097 1 . ASN 47 47 11097 1 . GLN 48 48 11097 1 . LYS 49 49 11097 1 . THR 50 50 11097 1 . SER 51 51 11097 1 . GLU 52 52 11097 1 . VAL 53 53 11097 1 . ARG 54 54 11097 1 . LEU 55 55 11097 1 . TYR 56 56 11097 1 . THR 57 57 11097 1 . VAL 58 58 11097 1 . ARG 59 59 11097 1 . TRP 60 60 11097 1 . ARG 61 61 11097 1 . THR 62 62 11097 1 . SER 63 63 11097 1 . PHE 64 64 11097 1 . SER 65 65 11097 1 . ALA 66 66 11097 1 . SER 67 67 11097 1 . ALA 68 68 11097 1 . LYS 69 69 11097 1 . TYR 70 70 11097 1 . LYS 71 71 11097 1 . SER 72 72 11097 1 . GLU 73 73 11097 1 . ASP 74 74 11097 1 . THR 75 75 11097 1 . THR 76 76 11097 1 . SER 77 77 11097 1 . LEU 78 78 11097 1 . SER 79 79 11097 1 . TYR 80 80 11097 1 . THR 81 81 11097 1 . ALA 82 82 11097 1 . THR 83 83 11097 1 . GLY 84 84 11097 1 . LEU 85 85 11097 1 . LYS 86 86 11097 1 . PRO 87 87 11097 1 . ASN 88 88 11097 1 . THR 89 89 11097 1 . MET 90 90 11097 1 . TYR 91 91 11097 1 . GLU 92 92 11097 1 . PHE 93 93 11097 1 . SER 94 94 11097 1 . VAL 95 95 11097 1 . MET 96 96 11097 1 . VAL 97 97 11097 1 . THR 98 98 11097 1 . LYS 99 99 11097 1 . ASN 100 100 11097 1 . ARG 101 101 11097 1 . ARG 102 102 11097 1 . SER 103 103 11097 1 . SER 104 104 11097 1 . THR 105 105 11097 1 . TRP 106 106 11097 1 . SER 107 107 11097 1 . MET 108 108 11097 1 . THR 109 109 11097 1 . ALA 110 110 11097 1 . HIS 111 111 11097 1 . ALA 112 112 11097 1 . THR 113 113 11097 1 . THR 114 114 11097 1 . TYR 115 115 11097 1 . GLU 116 116 11097 1 . ALA 117 117 11097 1 . SER 118 118 11097 1 . GLY 119 119 11097 1 . PRO 120 120 11097 1 . SER 121 121 11097 1 . SER 122 122 11097 1 . GLY 123 123 11097 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 11097 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11097 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 11097 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050905-23 . . . . . . 11097 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11097 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2mM sample [U-15N,13C]; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fifth fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 11097 1 2 d-Tris-HCl [U-2H] . . . . . buffer 20 . . mM . . . . 11097 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11097 1 4 d-DTT [U-2H] . . . . . salt 1 . . mM . . . . 11097 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11097 1 6 H2O . . . . . . solvent 90 . . % . . . . 11097 1 7 D2O . . . . . . solvent 10 . . % . . . . 11097 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11097 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11097 1 pH 7.0 0.05 pH 11097 1 pressure 1 0.001 atm 11097 1 temperature 296 0.1 K 11097 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11097 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11097 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11097 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11097 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11097 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11097 2 stop_ save_ save_NMNMRView _Software.Sf_category software _Software.Sf_framecode NMNMRView _Software.Entry_ID 11097 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11097 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11097 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11097 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11097 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11097 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11097 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11097 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11097 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11097 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11097 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11097 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 11097 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11097 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11097 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11097 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11097 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11097 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11097 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11097 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11097 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11097 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11097 1 2 $NMRPipe . . 11097 1 3 $NMNMRView . . 11097 1 4 $Kujira . . 11097 1 5 $CYANA . . 11097 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.854 0.030 . 1 . . . . 7 GLY HA2 . 11097 1 2 . 1 1 7 7 GLY HA3 H 1 3.854 0.030 . 1 . . . . 7 GLY HA3 . 11097 1 3 . 1 1 7 7 GLY C C 13 173.383 0.300 . 1 . . . . 7 GLY C . 11097 1 4 . 1 1 7 7 GLY CA C 13 45.099 0.300 . 1 . . . . 7 GLY CA . 11097 1 5 . 1 1 8 8 PHE H H 1 8.051 0.030 . 1 . . . . 8 PHE H . 11097 1 6 . 1 1 8 8 PHE HA H 1 4.884 0.030 . 1 . . . . 8 PHE HA . 11097 1 7 . 1 1 8 8 PHE HB2 H 1 2.903 0.030 . 2 . . . . 8 PHE HB2 . 11097 1 8 . 1 1 8 8 PHE HB3 H 1 3.169 0.030 . 2 . . . . 8 PHE HB3 . 11097 1 9 . 1 1 8 8 PHE HD1 H 1 7.282 0.030 . 1 . . . . 8 PHE HD1 . 11097 1 10 . 1 1 8 8 PHE HD2 H 1 7.282 0.030 . 1 . . . . 8 PHE HD2 . 11097 1 11 . 1 1 8 8 PHE C C 13 174.054 0.300 . 1 . . . . 8 PHE C . 11097 1 12 . 1 1 8 8 PHE CA C 13 55.701 0.300 . 1 . . . . 8 PHE CA . 11097 1 13 . 1 1 8 8 PHE CB C 13 39.004 0.300 . 1 . . . . 8 PHE CB . 11097 1 14 . 1 1 8 8 PHE CD1 C 13 131.970 0.300 . 1 . . . . 8 PHE CD1 . 11097 1 15 . 1 1 8 8 PHE CD2 C 13 131.970 0.300 . 1 . . . . 8 PHE CD2 . 11097 1 16 . 1 1 8 8 PHE N N 15 120.853 0.300 . 1 . . . . 8 PHE N . 11097 1 17 . 1 1 9 9 PRO HA H 1 4.519 0.030 . 1 . . . . 9 PRO HA . 11097 1 18 . 1 1 9 9 PRO HB2 H 1 2.301 0.030 . 2 . . . . 9 PRO HB2 . 11097 1 19 . 1 1 9 9 PRO HB3 H 1 1.937 0.030 . 2 . . . . 9 PRO HB3 . 11097 1 20 . 1 1 9 9 PRO HD2 H 1 3.797 0.030 . 2 . . . . 9 PRO HD2 . 11097 1 21 . 1 1 9 9 PRO HD3 H 1 3.539 0.030 . 2 . . . . 9 PRO HD3 . 11097 1 22 . 1 1 9 9 PRO HG2 H 1 1.998 0.030 . 2 . . . . 9 PRO HG2 . 11097 1 23 . 1 1 9 9 PRO C C 13 177.013 0.300 . 1 . . . . 9 PRO C . 11097 1 24 . 1 1 9 9 PRO CA C 13 63.290 0.300 . 1 . . . . 9 PRO CA . 11097 1 25 . 1 1 9 9 PRO CB C 13 31.965 0.300 . 1 . . . . 9 PRO CB . 11097 1 26 . 1 1 9 9 PRO CD C 13 50.658 0.300 . 1 . . . . 9 PRO CD . 11097 1 27 . 1 1 9 9 PRO CG C 13 27.245 0.300 . 1 . . . . 9 PRO CG . 11097 1 28 . 1 1 10 10 THR H H 1 8.262 0.030 . 1 . . . . 10 THR H . 11097 1 29 . 1 1 10 10 THR HA H 1 4.379 0.030 . 1 . . . . 10 THR HA . 11097 1 30 . 1 1 10 10 THR HG21 H 1 1.243 0.030 . 1 . . . . 10 THR HG2 . 11097 1 31 . 1 1 10 10 THR HG22 H 1 1.243 0.030 . 1 . . . . 10 THR HG2 . 11097 1 32 . 1 1 10 10 THR HG23 H 1 1.243 0.030 . 1 . . . . 10 THR HG2 . 11097 1 33 . 1 1 10 10 THR C C 13 174.500 0.300 . 1 . . . . 10 THR C . 11097 1 34 . 1 1 10 10 THR CA C 13 61.816 0.300 . 1 . . . . 10 THR CA . 11097 1 35 . 1 1 10 10 THR CB C 13 69.771 0.300 . 1 . . . . 10 THR CB . 11097 1 36 . 1 1 10 10 THR CG2 C 13 21.615 0.300 . 1 . . . . 10 THR CG2 . 11097 1 37 . 1 1 10 10 THR N N 15 114.337 0.300 . 1 . . . . 10 THR N . 11097 1 38 . 1 1 11 11 SER H H 1 8.284 0.030 . 1 . . . . 11 SER H . 11097 1 39 . 1 1 11 11 SER HA H 1 4.487 0.030 . 1 . . . . 11 SER HA . 11097 1 40 . 1 1 11 11 SER HB2 H 1 3.845 0.030 . 2 . . . . 11 SER HB2 . 11097 1 41 . 1 1 11 11 SER C C 13 173.964 0.300 . 1 . . . . 11 SER C . 11097 1 42 . 1 1 11 11 SER CA C 13 58.050 0.300 . 1 . . . . 11 SER CA . 11097 1 43 . 1 1 11 11 SER CB C 13 63.848 0.300 . 1 . . . . 11 SER CB . 11097 1 44 . 1 1 11 11 SER N N 15 118.188 0.300 . 1 . . . . 11 SER N . 11097 1 45 . 1 1 12 12 VAL H H 1 8.212 0.030 . 1 . . . . 12 VAL H . 11097 1 46 . 1 1 12 12 VAL HA H 1 4.439 0.030 . 1 . . . . 12 VAL HA . 11097 1 47 . 1 1 12 12 VAL HB H 1 2.091 0.030 . 1 . . . . 12 VAL HB . 11097 1 48 . 1 1 12 12 VAL HG11 H 1 0.916 0.030 . 1 . . . . 12 VAL HG1 . 11097 1 49 . 1 1 12 12 VAL HG12 H 1 0.916 0.030 . 1 . . . . 12 VAL HG1 . 11097 1 50 . 1 1 12 12 VAL HG13 H 1 0.916 0.030 . 1 . . . . 12 VAL HG1 . 11097 1 51 . 1 1 12 12 VAL C C 13 174.514 0.300 . 1 . . . . 12 VAL C . 11097 1 52 . 1 1 12 12 VAL CA C 13 59.939 0.300 . 1 . . . . 12 VAL CA . 11097 1 53 . 1 1 12 12 VAL CB C 13 32.603 0.300 . 1 . . . . 12 VAL CB . 11097 1 54 . 1 1 12 12 VAL CG1 C 13 20.935 0.300 . 2 . . . . 12 VAL CG1 . 11097 1 55 . 1 1 12 12 VAL N N 15 123.096 0.300 . 1 . . . . 12 VAL N . 11097 1 56 . 1 1 13 13 PRO HA H 1 4.366 0.030 . 1 . . . . 13 PRO HA . 11097 1 57 . 1 1 13 13 PRO HB2 H 1 2.253 0.030 . 2 . . . . 13 PRO HB2 . 11097 1 58 . 1 1 13 13 PRO HB3 H 1 1.803 0.030 . 2 . . . . 13 PRO HB3 . 11097 1 59 . 1 1 13 13 PRO HD2 H 1 3.842 0.030 . 2 . . . . 13 PRO HD2 . 11097 1 60 . 1 1 13 13 PRO HD3 H 1 3.691 0.030 . 2 . . . . 13 PRO HD3 . 11097 1 61 . 1 1 13 13 PRO HG2 H 1 1.994 0.030 . 2 . . . . 13 PRO HG2 . 11097 1 62 . 1 1 13 13 PRO C C 13 176.367 0.300 . 1 . . . . 13 PRO C . 11097 1 63 . 1 1 13 13 PRO CA C 13 63.339 0.300 . 1 . . . . 13 PRO CA . 11097 1 64 . 1 1 13 13 PRO CB C 13 32.216 0.300 . 1 . . . . 13 PRO CB . 11097 1 65 . 1 1 13 13 PRO CD C 13 50.932 0.300 . 1 . . . . 13 PRO CD . 11097 1 66 . 1 1 13 13 PRO CG C 13 27.376 0.300 . 1 . . . . 13 PRO CG . 11097 1 67 . 1 1 14 14 ASP H H 1 8.390 0.030 . 1 . . . . 14 ASP H . 11097 1 68 . 1 1 14 14 ASP HA H 1 4.580 0.030 . 1 . . . . 14 ASP HA . 11097 1 69 . 1 1 14 14 ASP HB2 H 1 2.743 0.030 . 2 . . . . 14 ASP HB2 . 11097 1 70 . 1 1 14 14 ASP HB3 H 1 2.626 0.030 . 2 . . . . 14 ASP HB3 . 11097 1 71 . 1 1 14 14 ASP C C 13 176.467 0.300 . 1 . . . . 14 ASP C . 11097 1 72 . 1 1 14 14 ASP CA C 13 54.054 0.300 . 1 . . . . 14 ASP CA . 11097 1 73 . 1 1 14 14 ASP CB C 13 41.083 0.300 . 1 . . . . 14 ASP CB . 11097 1 74 . 1 1 14 14 ASP N N 15 120.589 0.300 . 1 . . . . 14 ASP N . 11097 1 75 . 1 1 15 15 LEU H H 1 8.299 0.030 . 1 . . . . 15 LEU H . 11097 1 76 . 1 1 15 15 LEU HA H 1 4.349 0.030 . 1 . . . . 15 LEU HA . 11097 1 77 . 1 1 15 15 LEU HB2 H 1 1.641 0.030 . 1 . . . . 15 LEU HB2 . 11097 1 78 . 1 1 15 15 LEU HB3 H 1 1.641 0.030 . 1 . . . . 15 LEU HB3 . 11097 1 79 . 1 1 15 15 LEU HD11 H 1 0.912 0.030 . 1 . . . . 15 LEU HD1 . 11097 1 80 . 1 1 15 15 LEU HD12 H 1 0.912 0.030 . 1 . . . . 15 LEU HD1 . 11097 1 81 . 1 1 15 15 LEU HD13 H 1 0.912 0.030 . 1 . . . . 15 LEU HD1 . 11097 1 82 . 1 1 15 15 LEU HD21 H 1 0.839 0.030 . 1 . . . . 15 LEU HD2 . 11097 1 83 . 1 1 15 15 LEU HD22 H 1 0.839 0.030 . 1 . . . . 15 LEU HD2 . 11097 1 84 . 1 1 15 15 LEU HD23 H 1 0.839 0.030 . 1 . . . . 15 LEU HD2 . 11097 1 85 . 1 1 15 15 LEU HG H 1 1.627 0.030 . 1 . . . . 15 LEU HG . 11097 1 86 . 1 1 15 15 LEU C C 13 177.568 0.300 . 1 . . . . 15 LEU C . 11097 1 87 . 1 1 15 15 LEU CA C 13 55.219 0.300 . 1 . . . . 15 LEU CA . 11097 1 88 . 1 1 15 15 LEU CB C 13 41.856 0.300 . 1 . . . . 15 LEU CB . 11097 1 89 . 1 1 15 15 LEU CD1 C 13 25.063 0.300 . 2 . . . . 15 LEU CD1 . 11097 1 90 . 1 1 15 15 LEU CD2 C 13 23.199 0.300 . 2 . . . . 15 LEU CD2 . 11097 1 91 . 1 1 15 15 LEU CG C 13 26.987 0.300 . 1 . . . . 15 LEU CG . 11097 1 92 . 1 1 15 15 LEU N N 15 123.547 0.300 . 1 . . . . 15 LEU N . 11097 1 93 . 1 1 16 16 SER H H 1 8.364 0.030 . 1 . . . . 16 SER H . 11097 1 94 . 1 1 16 16 SER HA H 1 4.417 0.030 . 1 . . . . 16 SER HA . 11097 1 95 . 1 1 16 16 SER HB2 H 1 3.876 0.030 . 1 . . . . 16 SER HB2 . 11097 1 96 . 1 1 16 16 SER HB3 H 1 3.876 0.030 . 1 . . . . 16 SER HB3 . 11097 1 97 . 1 1 16 16 SER C C 13 174.400 0.300 . 1 . . . . 16 SER C . 11097 1 98 . 1 1 16 16 SER CA C 13 58.831 0.300 . 1 . . . . 16 SER CA . 11097 1 99 . 1 1 16 16 SER CB C 13 63.898 0.300 . 1 . . . . 16 SER CB . 11097 1 100 . 1 1 16 16 SER N N 15 115.929 0.300 . 1 . . . . 16 SER N . 11097 1 101 . 1 1 17 17 THR H H 1 7.965 0.030 . 1 . . . . 17 THR H . 11097 1 102 . 1 1 17 17 THR HA H 1 4.563 0.030 . 1 . . . . 17 THR HA . 11097 1 103 . 1 1 17 17 THR HB H 1 4.135 0.030 . 1 . . . . 17 THR HB . 11097 1 104 . 1 1 17 17 THR HG21 H 1 1.243 0.030 . 1 . . . . 17 THR HG2 . 11097 1 105 . 1 1 17 17 THR HG22 H 1 1.243 0.030 . 1 . . . . 17 THR HG2 . 11097 1 106 . 1 1 17 17 THR HG23 H 1 1.243 0.030 . 1 . . . . 17 THR HG2 . 11097 1 107 . 1 1 17 17 THR C C 13 172.700 0.300 . 1 . . . . 17 THR C . 11097 1 108 . 1 1 17 17 THR CA C 13 59.892 0.300 . 1 . . . . 17 THR CA . 11097 1 109 . 1 1 17 17 THR CB C 13 69.563 0.300 . 1 . . . . 17 THR CB . 11097 1 110 . 1 1 17 17 THR N N 15 117.983 0.300 . 1 . . . . 17 THR N . 11097 1 111 . 1 1 18 18 PRO HA H 1 4.397 0.030 . 1 . . . . 18 PRO HA . 11097 1 112 . 1 1 18 18 PRO HB2 H 1 2.304 0.030 . 2 . . . . 18 PRO HB2 . 11097 1 113 . 1 1 18 18 PRO HB3 H 1 1.803 0.030 . 2 . . . . 18 PRO HB3 . 11097 1 114 . 1 1 18 18 PRO HD2 H 1 3.862 0.030 . 2 . . . . 18 PRO HD2 . 11097 1 115 . 1 1 18 18 PRO HD3 H 1 3.690 0.030 . 2 . . . . 18 PRO HD3 . 11097 1 116 . 1 1 18 18 PRO HG2 H 1 1.993 0.030 . 2 . . . . 18 PRO HG2 . 11097 1 117 . 1 1 18 18 PRO C C 13 176.845 0.300 . 1 . . . . 18 PRO C . 11097 1 118 . 1 1 18 18 PRO CA C 13 63.176 0.300 . 1 . . . . 18 PRO CA . 11097 1 119 . 1 1 18 18 PRO CB C 13 32.303 0.300 . 1 . . . . 18 PRO CB . 11097 1 120 . 1 1 18 18 PRO CD C 13 51.080 0.300 . 1 . . . . 18 PRO CD . 11097 1 121 . 1 1 18 18 PRO CG C 13 27.428 0.300 . 1 . . . . 18 PRO CG . 11097 1 122 . 1 1 19 19 MET H H 1 8.315 0.030 . 1 . . . . 19 MET H . 11097 1 123 . 1 1 19 19 MET HA H 1 4.452 0.030 . 1 . . . . 19 MET HA . 11097 1 124 . 1 1 19 19 MET HB2 H 1 1.761 0.030 . 2 . . . . 19 MET HB2 . 11097 1 125 . 1 1 19 19 MET HB3 H 1 1.562 0.030 . 2 . . . . 19 MET HB3 . 11097 1 126 . 1 1 19 19 MET HE1 H 1 1.901 0.030 . 1 . . . . 19 MET HE . 11097 1 127 . 1 1 19 19 MET HE2 H 1 1.901 0.030 . 1 . . . . 19 MET HE . 11097 1 128 . 1 1 19 19 MET HE3 H 1 1.901 0.030 . 1 . . . . 19 MET HE . 11097 1 129 . 1 1 19 19 MET HG2 H 1 2.313 0.030 . 1 . . . . 19 MET HG2 . 11097 1 130 . 1 1 19 19 MET HG3 H 1 2.313 0.030 . 1 . . . . 19 MET HG3 . 11097 1 131 . 1 1 19 19 MET C C 13 175.157 0.300 . 1 . . . . 19 MET C . 11097 1 132 . 1 1 19 19 MET CA C 13 54.237 0.300 . 1 . . . . 19 MET CA . 11097 1 133 . 1 1 19 19 MET CB C 13 32.680 0.300 . 1 . . . . 19 MET CB . 11097 1 134 . 1 1 19 19 MET CE C 13 17.197 0.300 . 1 . . . . 19 MET CE . 11097 1 135 . 1 1 19 19 MET CG C 13 31.639 0.300 . 1 . . . . 19 MET CG . 11097 1 136 . 1 1 19 19 MET N N 15 121.177 0.300 . 1 . . . . 19 MET N . 11097 1 137 . 1 1 20 20 LEU H H 1 8.305 0.030 . 1 . . . . 20 LEU H . 11097 1 138 . 1 1 20 20 LEU HA H 1 4.556 0.030 . 1 . . . . 20 LEU HA . 11097 1 139 . 1 1 20 20 LEU HB2 H 1 1.707 0.030 . 2 . . . . 20 LEU HB2 . 11097 1 140 . 1 1 20 20 LEU HB3 H 1 1.595 0.030 . 2 . . . . 20 LEU HB3 . 11097 1 141 . 1 1 20 20 LEU HD11 H 1 0.896 0.030 . 1 . . . . 20 LEU HD1 . 11097 1 142 . 1 1 20 20 LEU HD12 H 1 0.896 0.030 . 1 . . . . 20 LEU HD1 . 11097 1 143 . 1 1 20 20 LEU HD13 H 1 0.896 0.030 . 1 . . . . 20 LEU HD1 . 11097 1 144 . 1 1 20 20 LEU HD21 H 1 0.932 0.030 . 1 . . . . 20 LEU HD2 . 11097 1 145 . 1 1 20 20 LEU HD22 H 1 0.932 0.030 . 1 . . . . 20 LEU HD2 . 11097 1 146 . 1 1 20 20 LEU HD23 H 1 0.932 0.030 . 1 . . . . 20 LEU HD2 . 11097 1 147 . 1 1 20 20 LEU HG H 1 1.710 0.030 . 1 . . . . 20 LEU HG . 11097 1 148 . 1 1 20 20 LEU C C 13 174.858 0.300 . 1 . . . . 20 LEU C . 11097 1 149 . 1 1 20 20 LEU CA C 13 52.932 0.300 . 1 . . . . 20 LEU CA . 11097 1 150 . 1 1 20 20 LEU CB C 13 41.014 0.300 . 1 . . . . 20 LEU CB . 11097 1 151 . 1 1 20 20 LEU CD1 C 13 22.813 0.300 . 2 . . . . 20 LEU CD1 . 11097 1 152 . 1 1 20 20 LEU CD2 C 13 25.334 0.300 . 2 . . . . 20 LEU CD2 . 11097 1 153 . 1 1 20 20 LEU CG C 13 27.172 0.300 . 1 . . . . 20 LEU CG . 11097 1 154 . 1 1 20 20 LEU N N 15 126.353 0.300 . 1 . . . . 20 LEU N . 11097 1 155 . 1 1 21 21 PRO HB2 H 1 2.301 0.030 . 2 . . . . 21 PRO HB2 . 11097 1 156 . 1 1 21 21 PRO HB3 H 1 1.723 0.030 . 2 . . . . 21 PRO HB3 . 11097 1 157 . 1 1 21 21 PRO HD2 H 1 3.787 0.030 . 2 . . . . 21 PRO HD2 . 11097 1 158 . 1 1 21 21 PRO HD3 H 1 3.729 0.030 . 2 . . . . 21 PRO HD3 . 11097 1 159 . 1 1 21 21 PRO HG2 H 1 1.903 0.030 . 1 . . . . 21 PRO HG2 . 11097 1 160 . 1 1 21 21 PRO HG3 H 1 1.903 0.030 . 1 . . . . 21 PRO HG3 . 11097 1 161 . 1 1 21 21 PRO CA C 13 61.118 0.300 . 1 . . . . 21 PRO CA . 11097 1 162 . 1 1 21 21 PRO CB C 13 29.978 0.300 . 1 . . . . 21 PRO CB . 11097 1 163 . 1 1 21 21 PRO CD C 13 50.036 0.300 . 1 . . . . 21 PRO CD . 11097 1 164 . 1 1 21 21 PRO CG C 13 26.984 0.300 . 1 . . . . 21 PRO CG . 11097 1 165 . 1 1 22 22 PRO HA H 1 4.744 0.030 . 1 . . . . 22 PRO HA . 11097 1 166 . 1 1 22 22 PRO HB2 H 1 2.467 0.030 . 2 . . . . 22 PRO HB2 . 11097 1 167 . 1 1 22 22 PRO HB3 H 1 1.408 0.030 . 2 . . . . 22 PRO HB3 . 11097 1 168 . 1 1 22 22 PRO HD2 H 1 3.755 0.030 . 2 . . . . 22 PRO HD2 . 11097 1 169 . 1 1 22 22 PRO HD3 H 1 3.382 0.030 . 2 . . . . 22 PRO HD3 . 11097 1 170 . 1 1 22 22 PRO HG2 H 1 1.633 0.030 . 2 . . . . 22 PRO HG2 . 11097 1 171 . 1 1 22 22 PRO HG3 H 1 1.411 0.030 . 2 . . . . 22 PRO HG3 . 11097 1 172 . 1 1 22 22 PRO C C 13 174.005 0.300 . 1 . . . . 22 PRO C . 11097 1 173 . 1 1 22 22 PRO CA C 13 63.096 0.300 . 1 . . . . 22 PRO CA . 11097 1 174 . 1 1 22 22 PRO CB C 13 33.175 0.300 . 1 . . . . 22 PRO CB . 11097 1 175 . 1 1 22 22 PRO CD C 13 50.283 0.300 . 1 . . . . 22 PRO CD . 11097 1 176 . 1 1 22 22 PRO CG C 13 28.006 0.300 . 1 . . . . 22 PRO CG . 11097 1 177 . 1 1 23 23 VAL H H 1 8.261 0.030 . 1 . . . . 23 VAL H . 11097 1 178 . 1 1 23 23 VAL HA H 1 4.769 0.030 . 1 . . . . 23 VAL HA . 11097 1 179 . 1 1 23 23 VAL HB H 1 2.330 0.030 . 1 . . . . 23 VAL HB . 11097 1 180 . 1 1 23 23 VAL HG11 H 1 1.017 0.030 . 1 . . . . 23 VAL HG1 . 11097 1 181 . 1 1 23 23 VAL HG12 H 1 1.017 0.030 . 1 . . . . 23 VAL HG1 . 11097 1 182 . 1 1 23 23 VAL HG13 H 1 1.017 0.030 . 1 . . . . 23 VAL HG1 . 11097 1 183 . 1 1 23 23 VAL HG21 H 1 0.796 0.030 . 1 . . . . 23 VAL HG2 . 11097 1 184 . 1 1 23 23 VAL HG22 H 1 0.796 0.030 . 1 . . . . 23 VAL HG2 . 11097 1 185 . 1 1 23 23 VAL HG23 H 1 0.796 0.030 . 1 . . . . 23 VAL HG2 . 11097 1 186 . 1 1 23 23 VAL C C 13 175.415 0.300 . 1 . . . . 23 VAL C . 11097 1 187 . 1 1 23 23 VAL CA C 13 59.131 0.300 . 1 . . . . 23 VAL CA . 11097 1 188 . 1 1 23 23 VAL CB C 13 35.371 0.300 . 1 . . . . 23 VAL CB . 11097 1 189 . 1 1 23 23 VAL CG1 C 13 21.798 0.300 . 2 . . . . 23 VAL CG1 . 11097 1 190 . 1 1 23 23 VAL CG2 C 13 18.370 0.300 . 2 . . . . 23 VAL CG2 . 11097 1 191 . 1 1 23 23 VAL N N 15 111.601 0.300 . 1 . . . . 23 VAL N . 11097 1 192 . 1 1 24 24 GLY H H 1 8.534 0.030 . 1 . . . . 24 GLY H . 11097 1 193 . 1 1 24 24 GLY HA2 H 1 3.841 0.030 . 2 . . . . 24 GLY HA2 . 11097 1 194 . 1 1 24 24 GLY HA3 H 1 3.746 0.030 . 2 . . . . 24 GLY HA3 . 11097 1 195 . 1 1 24 24 GLY C C 13 175.299 0.300 . 1 . . . . 24 GLY C . 11097 1 196 . 1 1 24 24 GLY CA C 13 47.392 0.300 . 1 . . . . 24 GLY CA . 11097 1 197 . 1 1 24 24 GLY N N 15 108.169 0.300 . 1 . . . . 24 GLY N . 11097 1 198 . 1 1 25 25 VAL H H 1 7.763 0.030 . 1 . . . . 25 VAL H . 11097 1 199 . 1 1 25 25 VAL HA H 1 4.632 0.030 . 1 . . . . 25 VAL HA . 11097 1 200 . 1 1 25 25 VAL HB H 1 1.954 0.030 . 1 . . . . 25 VAL HB . 11097 1 201 . 1 1 25 25 VAL HG11 H 1 1.023 0.030 . 1 . . . . 25 VAL HG1 . 11097 1 202 . 1 1 25 25 VAL HG12 H 1 1.023 0.030 . 1 . . . . 25 VAL HG1 . 11097 1 203 . 1 1 25 25 VAL HG13 H 1 1.023 0.030 . 1 . . . . 25 VAL HG1 . 11097 1 204 . 1 1 25 25 VAL HG21 H 1 0.909 0.030 . 1 . . . . 25 VAL HG2 . 11097 1 205 . 1 1 25 25 VAL HG22 H 1 0.909 0.030 . 1 . . . . 25 VAL HG2 . 11097 1 206 . 1 1 25 25 VAL HG23 H 1 0.909 0.030 . 1 . . . . 25 VAL HG2 . 11097 1 207 . 1 1 25 25 VAL C C 13 176.484 0.300 . 1 . . . . 25 VAL C . 11097 1 208 . 1 1 25 25 VAL CA C 13 63.278 0.300 . 1 . . . . 25 VAL CA . 11097 1 209 . 1 1 25 25 VAL CB C 13 31.253 0.300 . 1 . . . . 25 VAL CB . 11097 1 210 . 1 1 25 25 VAL CG1 C 13 20.986 0.300 . 2 . . . . 25 VAL CG1 . 11097 1 211 . 1 1 25 25 VAL CG2 C 13 21.298 0.300 . 2 . . . . 25 VAL CG2 . 11097 1 212 . 1 1 25 25 VAL N N 15 118.863 0.300 . 1 . . . . 25 VAL N . 11097 1 213 . 1 1 26 26 GLN H H 1 9.217 0.030 . 1 . . . . 26 GLN H . 11097 1 214 . 1 1 26 26 GLN HA H 1 4.631 0.030 . 1 . . . . 26 GLN HA . 11097 1 215 . 1 1 26 26 GLN HB2 H 1 1.826 0.030 . 2 . . . . 26 GLN HB2 . 11097 1 216 . 1 1 26 26 GLN HB3 H 1 1.962 0.030 . 2 . . . . 26 GLN HB3 . 11097 1 217 . 1 1 26 26 GLN HE21 H 1 7.347 0.030 . 2 . . . . 26 GLN HE21 . 11097 1 218 . 1 1 26 26 GLN HE22 H 1 6.763 0.030 . 2 . . . . 26 GLN HE22 . 11097 1 219 . 1 1 26 26 GLN HG2 H 1 2.292 0.030 . 2 . . . . 26 GLN HG2 . 11097 1 220 . 1 1 26 26 GLN HG3 H 1 2.225 0.030 . 2 . . . . 26 GLN HG3 . 11097 1 221 . 1 1 26 26 GLN C C 13 172.884 0.300 . 1 . . . . 26 GLN C . 11097 1 222 . 1 1 26 26 GLN CA C 13 54.429 0.300 . 1 . . . . 26 GLN CA . 11097 1 223 . 1 1 26 26 GLN CB C 13 33.218 0.300 . 1 . . . . 26 GLN CB . 11097 1 224 . 1 1 26 26 GLN CG C 13 33.939 0.300 . 1 . . . . 26 GLN CG . 11097 1 225 . 1 1 26 26 GLN N N 15 127.196 0.300 . 1 . . . . 26 GLN N . 11097 1 226 . 1 1 26 26 GLN NE2 N 15 111.726 0.300 . 1 . . . . 26 GLN NE2 . 11097 1 227 . 1 1 27 27 ALA H H 1 8.607 0.030 . 1 . . . . 27 ALA H . 11097 1 228 . 1 1 27 27 ALA HA H 1 5.065 0.030 . 1 . . . . 27 ALA HA . 11097 1 229 . 1 1 27 27 ALA HB1 H 1 0.748 0.030 . 1 . . . . 27 ALA HB . 11097 1 230 . 1 1 27 27 ALA HB2 H 1 0.748 0.030 . 1 . . . . 27 ALA HB . 11097 1 231 . 1 1 27 27 ALA HB3 H 1 0.748 0.030 . 1 . . . . 27 ALA HB . 11097 1 232 . 1 1 27 27 ALA C C 13 174.625 0.300 . 1 . . . . 27 ALA C . 11097 1 233 . 1 1 27 27 ALA CA C 13 50.410 0.300 . 1 . . . . 27 ALA CA . 11097 1 234 . 1 1 27 27 ALA CB C 13 22.003 0.300 . 1 . . . . 27 ALA CB . 11097 1 235 . 1 1 27 27 ALA N N 15 124.535 0.300 . 1 . . . . 27 ALA N . 11097 1 236 . 1 1 28 28 VAL H H 1 8.616 0.030 . 1 . . . . 28 VAL H . 11097 1 237 . 1 1 28 28 VAL HA H 1 4.310 0.030 . 1 . . . . 28 VAL HA . 11097 1 238 . 1 1 28 28 VAL HB H 1 1.866 0.030 . 1 . . . . 28 VAL HB . 11097 1 239 . 1 1 28 28 VAL HG11 H 1 0.886 0.030 . 1 . . . . 28 VAL HG1 . 11097 1 240 . 1 1 28 28 VAL HG12 H 1 0.886 0.030 . 1 . . . . 28 VAL HG1 . 11097 1 241 . 1 1 28 28 VAL HG13 H 1 0.886 0.030 . 1 . . . . 28 VAL HG1 . 11097 1 242 . 1 1 28 28 VAL HG21 H 1 0.886 0.030 . 1 . . . . 28 VAL HG2 . 11097 1 243 . 1 1 28 28 VAL HG22 H 1 0.886 0.030 . 1 . . . . 28 VAL HG2 . 11097 1 244 . 1 1 28 28 VAL HG23 H 1 0.886 0.030 . 1 . . . . 28 VAL HG2 . 11097 1 245 . 1 1 28 28 VAL C C 13 174.431 0.300 . 1 . . . . 28 VAL C . 11097 1 246 . 1 1 28 28 VAL CA C 13 60.127 0.300 . 1 . . . . 28 VAL CA . 11097 1 247 . 1 1 28 28 VAL CB C 13 35.479 0.300 . 1 . . . . 28 VAL CB . 11097 1 248 . 1 1 28 28 VAL CG1 C 13 20.643 0.300 . 1 . . . . 28 VAL CG1 . 11097 1 249 . 1 1 28 28 VAL CG2 C 13 20.643 0.300 . 1 . . . . 28 VAL CG2 . 11097 1 250 . 1 1 28 28 VAL N N 15 121.865 0.300 . 1 . . . . 28 VAL N . 11097 1 251 . 1 1 29 29 ALA H H 1 9.092 0.030 . 1 . . . . 29 ALA H . 11097 1 252 . 1 1 29 29 ALA HA H 1 4.200 0.030 . 1 . . . . 29 ALA HA . 11097 1 253 . 1 1 29 29 ALA HB1 H 1 1.179 0.030 . 1 . . . . 29 ALA HB . 11097 1 254 . 1 1 29 29 ALA HB2 H 1 1.179 0.030 . 1 . . . . 29 ALA HB . 11097 1 255 . 1 1 29 29 ALA HB3 H 1 1.179 0.030 . 1 . . . . 29 ALA HB . 11097 1 256 . 1 1 29 29 ALA C C 13 176.343 0.300 . 1 . . . . 29 ALA C . 11097 1 257 . 1 1 29 29 ALA CA C 13 53.374 0.300 . 1 . . . . 29 ALA CA . 11097 1 258 . 1 1 29 29 ALA CB C 13 19.303 0.300 . 1 . . . . 29 ALA CB . 11097 1 259 . 1 1 29 29 ALA N N 15 129.708 0.300 . 1 . . . . 29 ALA N . 11097 1 260 . 1 1 30 30 LEU H H 1 8.625 0.030 . 1 . . . . 30 LEU H . 11097 1 261 . 1 1 30 30 LEU HA H 1 4.622 0.030 . 1 . . . . 30 LEU HA . 11097 1 262 . 1 1 30 30 LEU HB2 H 1 1.551 0.030 . 1 . . . . 30 LEU HB2 . 11097 1 263 . 1 1 30 30 LEU HB3 H 1 1.551 0.030 . 1 . . . . 30 LEU HB3 . 11097 1 264 . 1 1 30 30 LEU HD11 H 1 0.715 0.030 . 1 . . . . 30 LEU HD1 . 11097 1 265 . 1 1 30 30 LEU HD12 H 1 0.715 0.030 . 1 . . . . 30 LEU HD1 . 11097 1 266 . 1 1 30 30 LEU HD13 H 1 0.715 0.030 . 1 . . . . 30 LEU HD1 . 11097 1 267 . 1 1 30 30 LEU HD21 H 1 0.722 0.030 . 1 . . . . 30 LEU HD2 . 11097 1 268 . 1 1 30 30 LEU HD22 H 1 0.722 0.030 . 1 . . . . 30 LEU HD2 . 11097 1 269 . 1 1 30 30 LEU HD23 H 1 0.722 0.030 . 1 . . . . 30 LEU HD2 . 11097 1 270 . 1 1 30 30 LEU HG H 1 1.563 0.030 . 1 . . . . 30 LEU HG . 11097 1 271 . 1 1 30 30 LEU C C 13 177.403 0.300 . 1 . . . . 30 LEU C . 11097 1 272 . 1 1 30 30 LEU CA C 13 55.395 0.300 . 1 . . . . 30 LEU CA . 11097 1 273 . 1 1 30 30 LEU CB C 13 44.627 0.300 . 1 . . . . 30 LEU CB . 11097 1 274 . 1 1 30 30 LEU CD1 C 13 26.456 0.300 . 2 . . . . 30 LEU CD1 . 11097 1 275 . 1 1 30 30 LEU CD2 C 13 21.947 0.300 . 2 . . . . 30 LEU CD2 . 11097 1 276 . 1 1 30 30 LEU CG C 13 26.473 0.300 . 1 . . . . 30 LEU CG . 11097 1 277 . 1 1 30 30 LEU N N 15 120.524 0.300 . 1 . . . . 30 LEU N . 11097 1 278 . 1 1 31 31 THR H H 1 7.521 0.030 . 1 . . . . 31 THR H . 11097 1 279 . 1 1 31 31 THR HB H 1 4.564 0.030 . 1 . . . . 31 THR HB . 11097 1 280 . 1 1 31 31 THR HG21 H 1 1.138 0.030 . 1 . . . . 31 THR HG2 . 11097 1 281 . 1 1 31 31 THR HG22 H 1 1.138 0.030 . 1 . . . . 31 THR HG2 . 11097 1 282 . 1 1 31 31 THR HG23 H 1 1.138 0.030 . 1 . . . . 31 THR HG2 . 11097 1 283 . 1 1 31 31 THR C C 13 174.350 0.300 . 1 . . . . 31 THR C . 11097 1 284 . 1 1 31 31 THR CA C 13 59.813 0.300 . 1 . . . . 31 THR CA . 11097 1 285 . 1 1 31 31 THR CB C 13 72.761 0.300 . 1 . . . . 31 THR CB . 11097 1 286 . 1 1 31 31 THR CG2 C 13 22.736 0.300 . 1 . . . . 31 THR CG2 . 11097 1 287 . 1 1 31 31 THR N N 15 108.312 0.300 . 1 . . . . 31 THR N . 11097 1 288 . 1 1 32 32 HIS HA H 1 5.002 0.030 . 1 . . . . 32 HIS HA . 11097 1 289 . 1 1 32 32 HIS HB2 H 1 3.081 0.030 . 2 . . . . 32 HIS HB2 . 11097 1 290 . 1 1 32 32 HIS HB3 H 1 2.710 0.030 . 2 . . . . 32 HIS HB3 . 11097 1 291 . 1 1 32 32 HIS HD2 H 1 7.008 0.030 . 1 . . . . 32 HIS HD2 . 11097 1 292 . 1 1 32 32 HIS HE1 H 1 7.758 0.030 . 1 . . . . 32 HIS HE1 . 11097 1 293 . 1 1 32 32 HIS C C 13 173.184 0.300 . 1 . . . . 32 HIS C . 11097 1 294 . 1 1 32 32 HIS CA C 13 57.206 0.300 . 1 . . . . 32 HIS CA . 11097 1 295 . 1 1 32 32 HIS CB C 13 30.761 0.300 . 1 . . . . 32 HIS CB . 11097 1 296 . 1 1 32 32 HIS CD2 C 13 118.069 0.300 . 1 . . . . 32 HIS CD2 . 11097 1 297 . 1 1 32 32 HIS CE1 C 13 139.800 0.300 . 1 . . . . 32 HIS CE1 . 11097 1 298 . 1 1 33 33 ASP H H 1 7.706 0.030 . 1 . . . . 33 ASP H . 11097 1 299 . 1 1 33 33 ASP HA H 1 4.536 0.030 . 1 . . . . 33 ASP HA . 11097 1 300 . 1 1 33 33 ASP HB2 H 1 2.850 0.030 . 2 . . . . 33 ASP HB2 . 11097 1 301 . 1 1 33 33 ASP HB3 H 1 2.036 0.030 . 2 . . . . 33 ASP HB3 . 11097 1 302 . 1 1 33 33 ASP C C 13 175.322 0.300 . 1 . . . . 33 ASP C . 11097 1 303 . 1 1 33 33 ASP CA C 13 51.750 0.300 . 1 . . . . 33 ASP CA . 11097 1 304 . 1 1 33 33 ASP CB C 13 43.076 0.300 . 1 . . . . 33 ASP CB . 11097 1 305 . 1 1 33 33 ASP N N 15 114.338 0.300 . 1 . . . . 33 ASP N . 11097 1 306 . 1 1 34 34 ALA H H 1 6.922 0.030 . 1 . . . . 34 ALA H . 11097 1 307 . 1 1 34 34 ALA HA H 1 5.457 0.030 . 1 . . . . 34 ALA HA . 11097 1 308 . 1 1 34 34 ALA HB1 H 1 1.027 0.030 . 1 . . . . 34 ALA HB . 11097 1 309 . 1 1 34 34 ALA HB2 H 1 1.027 0.030 . 1 . . . . 34 ALA HB . 11097 1 310 . 1 1 34 34 ALA HB3 H 1 1.027 0.030 . 1 . . . . 34 ALA HB . 11097 1 311 . 1 1 34 34 ALA C C 13 176.528 0.300 . 1 . . . . 34 ALA C . 11097 1 312 . 1 1 34 34 ALA CA C 13 51.336 0.300 . 1 . . . . 34 ALA CA . 11097 1 313 . 1 1 34 34 ALA CB C 13 22.251 0.300 . 1 . . . . 34 ALA CB . 11097 1 314 . 1 1 34 34 ALA N N 15 119.861 0.300 . 1 . . . . 34 ALA N . 11097 1 315 . 1 1 35 35 VAL H H 1 8.136 0.030 . 1 . . . . 35 VAL H . 11097 1 316 . 1 1 35 35 VAL HA H 1 4.198 0.030 . 1 . . . . 35 VAL HA . 11097 1 317 . 1 1 35 35 VAL HB H 1 1.177 0.030 . 1 . . . . 35 VAL HB . 11097 1 318 . 1 1 35 35 VAL HG11 H 1 0.034 0.030 . 1 . . . . 35 VAL HG1 . 11097 1 319 . 1 1 35 35 VAL HG12 H 1 0.034 0.030 . 1 . . . . 35 VAL HG1 . 11097 1 320 . 1 1 35 35 VAL HG13 H 1 0.034 0.030 . 1 . . . . 35 VAL HG1 . 11097 1 321 . 1 1 35 35 VAL HG21 H 1 0.543 0.030 . 1 . . . . 35 VAL HG2 . 11097 1 322 . 1 1 35 35 VAL HG22 H 1 0.543 0.030 . 1 . . . . 35 VAL HG2 . 11097 1 323 . 1 1 35 35 VAL HG23 H 1 0.543 0.030 . 1 . . . . 35 VAL HG2 . 11097 1 324 . 1 1 35 35 VAL C C 13 172.676 0.300 . 1 . . . . 35 VAL C . 11097 1 325 . 1 1 35 35 VAL CA C 13 60.127 0.300 . 1 . . . . 35 VAL CA . 11097 1 326 . 1 1 35 35 VAL CB C 13 37.353 0.300 . 1 . . . . 35 VAL CB . 11097 1 327 . 1 1 35 35 VAL CG1 C 13 21.721 0.300 . 2 . . . . 35 VAL CG1 . 11097 1 328 . 1 1 35 35 VAL CG2 C 13 21.947 0.300 . 2 . . . . 35 VAL CG2 . 11097 1 329 . 1 1 35 35 VAL N N 15 121.325 0.300 . 1 . . . . 35 VAL N . 11097 1 330 . 1 1 36 36 ARG H H 1 8.773 0.030 . 1 . . . . 36 ARG H . 11097 1 331 . 1 1 36 36 ARG HA H 1 4.661 0.030 . 1 . . . . 36 ARG HA . 11097 1 332 . 1 1 36 36 ARG HB2 H 1 1.673 0.030 . 2 . . . . 36 ARG HB2 . 11097 1 333 . 1 1 36 36 ARG HB3 H 1 1.447 0.030 . 2 . . . . 36 ARG HB3 . 11097 1 334 . 1 1 36 36 ARG HD2 H 1 2.964 0.030 . 1 . . . . 36 ARG HD2 . 11097 1 335 . 1 1 36 36 ARG HD3 H 1 2.964 0.030 . 1 . . . . 36 ARG HD3 . 11097 1 336 . 1 1 36 36 ARG HG2 H 1 1.258 0.030 . 2 . . . . 36 ARG HG2 . 11097 1 337 . 1 1 36 36 ARG HG3 H 1 1.187 0.030 . 2 . . . . 36 ARG HG3 . 11097 1 338 . 1 1 36 36 ARG C C 13 174.290 0.300 . 1 . . . . 36 ARG C . 11097 1 339 . 1 1 36 36 ARG CA C 13 55.001 0.300 . 1 . . . . 36 ARG CA . 11097 1 340 . 1 1 36 36 ARG CB C 13 31.986 0.300 . 1 . . . . 36 ARG CB . 11097 1 341 . 1 1 36 36 ARG CD C 13 43.297 0.300 . 1 . . . . 36 ARG CD . 11097 1 342 . 1 1 36 36 ARG CG C 13 27.243 0.300 . 1 . . . . 36 ARG CG . 11097 1 343 . 1 1 36 36 ARG N N 15 126.543 0.300 . 1 . . . . 36 ARG N . 11097 1 344 . 1 1 37 37 VAL H H 1 9.562 0.030 . 1 . . . . 37 VAL H . 11097 1 345 . 1 1 37 37 VAL HA H 1 4.989 0.030 . 1 . . . . 37 VAL HA . 11097 1 346 . 1 1 37 37 VAL HB H 1 2.086 0.030 . 1 . . . . 37 VAL HB . 11097 1 347 . 1 1 37 37 VAL HG11 H 1 1.083 0.030 . 1 . . . . 37 VAL HG1 . 11097 1 348 . 1 1 37 37 VAL HG12 H 1 1.083 0.030 . 1 . . . . 37 VAL HG1 . 11097 1 349 . 1 1 37 37 VAL HG13 H 1 1.083 0.030 . 1 . . . . 37 VAL HG1 . 11097 1 350 . 1 1 37 37 VAL HG21 H 1 0.364 0.030 . 1 . . . . 37 VAL HG2 . 11097 1 351 . 1 1 37 37 VAL HG22 H 1 0.364 0.030 . 1 . . . . 37 VAL HG2 . 11097 1 352 . 1 1 37 37 VAL HG23 H 1 0.364 0.030 . 1 . . . . 37 VAL HG2 . 11097 1 353 . 1 1 37 37 VAL C C 13 174.101 0.300 . 1 . . . . 37 VAL C . 11097 1 354 . 1 1 37 37 VAL CA C 13 59.879 0.300 . 1 . . . . 37 VAL CA . 11097 1 355 . 1 1 37 37 VAL CB C 13 33.777 0.300 . 1 . . . . 37 VAL CB . 11097 1 356 . 1 1 37 37 VAL CG1 C 13 21.520 0.300 . 2 . . . . 37 VAL CG1 . 11097 1 357 . 1 1 37 37 VAL CG2 C 13 22.586 0.300 . 2 . . . . 37 VAL CG2 . 11097 1 358 . 1 1 37 37 VAL N N 15 133.311 0.300 . 1 . . . . 37 VAL N . 11097 1 359 . 1 1 38 38 SER H H 1 9.151 0.030 . 1 . . . . 38 SER H . 11097 1 360 . 1 1 38 38 SER HA H 1 4.764 0.030 . 1 . . . . 38 SER HA . 11097 1 361 . 1 1 38 38 SER HB2 H 1 3.733 0.030 . 2 . . . . 38 SER HB2 . 11097 1 362 . 1 1 38 38 SER HB3 H 1 3.515 0.030 . 2 . . . . 38 SER HB3 . 11097 1 363 . 1 1 38 38 SER C C 13 172.450 0.300 . 1 . . . . 38 SER C . 11097 1 364 . 1 1 38 38 SER CA C 13 57.725 0.300 . 1 . . . . 38 SER CA . 11097 1 365 . 1 1 38 38 SER CB C 13 66.120 0.300 . 1 . . . . 38 SER CB . 11097 1 366 . 1 1 38 38 SER N N 15 119.709 0.300 . 1 . . . . 38 SER N . 11097 1 367 . 1 1 39 39 TRP H H 1 7.304 0.030 . 1 . . . . 39 TRP H . 11097 1 368 . 1 1 39 39 TRP HA H 1 4.919 0.030 . 1 . . . . 39 TRP HA . 11097 1 369 . 1 1 39 39 TRP HB2 H 1 3.456 0.030 . 2 . . . . 39 TRP HB2 . 11097 1 370 . 1 1 39 39 TRP HB3 H 1 3.046 0.030 . 2 . . . . 39 TRP HB3 . 11097 1 371 . 1 1 39 39 TRP HD1 H 1 6.286 0.030 . 1 . . . . 39 TRP HD1 . 11097 1 372 . 1 1 39 39 TRP HE1 H 1 6.109 0.030 . 1 . . . . 39 TRP HE1 . 11097 1 373 . 1 1 39 39 TRP HE3 H 1 6.916 0.030 . 1 . . . . 39 TRP HE3 . 11097 1 374 . 1 1 39 39 TRP HH2 H 1 6.523 0.030 . 1 . . . . 39 TRP HH2 . 11097 1 375 . 1 1 39 39 TRP HZ2 H 1 7.373 0.030 . 1 . . . . 39 TRP HZ2 . 11097 1 376 . 1 1 39 39 TRP HZ3 H 1 6.568 0.030 . 1 . . . . 39 TRP HZ3 . 11097 1 377 . 1 1 39 39 TRP C C 13 171.851 0.300 . 1 . . . . 39 TRP C . 11097 1 378 . 1 1 39 39 TRP CA C 13 56.757 0.300 . 1 . . . . 39 TRP CA . 11097 1 379 . 1 1 39 39 TRP CB C 13 30.717 0.300 . 1 . . . . 39 TRP CB . 11097 1 380 . 1 1 39 39 TRP CD1 C 13 124.038 0.300 . 1 . . . . 39 TRP CD1 . 11097 1 381 . 1 1 39 39 TRP CE3 C 13 119.530 0.300 . 1 . . . . 39 TRP CE3 . 11097 1 382 . 1 1 39 39 TRP CH2 C 13 123.350 0.300 . 1 . . . . 39 TRP CH2 . 11097 1 383 . 1 1 39 39 TRP CZ2 C 13 116.237 0.300 . 1 . . . . 39 TRP CZ2 . 11097 1 384 . 1 1 39 39 TRP CZ3 C 13 121.100 0.300 . 1 . . . . 39 TRP CZ3 . 11097 1 385 . 1 1 39 39 TRP N N 15 116.546 0.300 . 1 . . . . 39 TRP N . 11097 1 386 . 1 1 39 39 TRP NE1 N 15 125.297 0.300 . 1 . . . . 39 TRP NE1 . 11097 1 387 . 1 1 40 40 ALA H H 1 8.876 0.030 . 1 . . . . 40 ALA H . 11097 1 388 . 1 1 40 40 ALA HA H 1 4.670 0.030 . 1 . . . . 40 ALA HA . 11097 1 389 . 1 1 40 40 ALA HB1 H 1 1.272 0.030 . 1 . . . . 40 ALA HB . 11097 1 390 . 1 1 40 40 ALA HB2 H 1 1.272 0.030 . 1 . . . . 40 ALA HB . 11097 1 391 . 1 1 40 40 ALA HB3 H 1 1.272 0.030 . 1 . . . . 40 ALA HB . 11097 1 392 . 1 1 40 40 ALA C C 13 176.058 0.300 . 1 . . . . 40 ALA C . 11097 1 393 . 1 1 40 40 ALA CA C 13 50.366 0.300 . 1 . . . . 40 ALA CA . 11097 1 394 . 1 1 40 40 ALA CB C 13 21.997 0.300 . 1 . . . . 40 ALA CB . 11097 1 395 . 1 1 40 40 ALA N N 15 119.811 0.300 . 1 . . . . 40 ALA N . 11097 1 396 . 1 1 41 41 ASP H H 1 8.423 0.030 . 1 . . . . 41 ASP H . 11097 1 397 . 1 1 41 41 ASP HA H 1 5.019 0.030 . 1 . . . . 41 ASP HA . 11097 1 398 . 1 1 41 41 ASP HB2 H 1 2.987 0.030 . 2 . . . . 41 ASP HB2 . 11097 1 399 . 1 1 41 41 ASP HB3 H 1 2.531 0.030 . 2 . . . . 41 ASP HB3 . 11097 1 400 . 1 1 41 41 ASP C C 13 176.233 0.300 . 1 . . . . 41 ASP C . 11097 1 401 . 1 1 41 41 ASP CA C 13 52.797 0.300 . 1 . . . . 41 ASP CA . 11097 1 402 . 1 1 41 41 ASP CB C 13 42.327 0.300 . 1 . . . . 41 ASP CB . 11097 1 403 . 1 1 41 41 ASP N N 15 118.415 0.300 . 1 . . . . 41 ASP N . 11097 1 404 . 1 1 42 42 ASN H H 1 8.756 0.030 . 1 . . . . 42 ASN H . 11097 1 405 . 1 1 42 42 ASN HA H 1 4.774 0.030 . 1 . . . . 42 ASN HA . 11097 1 406 . 1 1 42 42 ASN HB2 H 1 2.942 0.030 . 2 . . . . 42 ASN HB2 . 11097 1 407 . 1 1 42 42 ASN HB3 H 1 2.740 0.030 . 2 . . . . 42 ASN HB3 . 11097 1 408 . 1 1 42 42 ASN HD21 H 1 7.640 0.030 . 2 . . . . 42 ASN HD21 . 11097 1 409 . 1 1 42 42 ASN HD22 H 1 6.919 0.030 . 2 . . . . 42 ASN HD22 . 11097 1 410 . 1 1 42 42 ASN C C 13 175.741 0.300 . 1 . . . . 42 ASN C . 11097 1 411 . 1 1 42 42 ASN CA C 13 53.458 0.300 . 1 . . . . 42 ASN CA . 11097 1 412 . 1 1 42 42 ASN CB C 13 38.510 0.300 . 1 . . . . 42 ASN CB . 11097 1 413 . 1 1 42 42 ASN N N 15 122.352 0.300 . 1 . . . . 42 ASN N . 11097 1 414 . 1 1 42 42 ASN ND2 N 15 112.437 0.300 . 1 . . . . 42 ASN ND2 . 11097 1 415 . 1 1 43 43 SER H H 1 8.468 0.030 . 1 . . . . 43 SER H . 11097 1 416 . 1 1 43 43 SER HA H 1 4.463 0.030 . 1 . . . . 43 SER HA . 11097 1 417 . 1 1 43 43 SER HB2 H 1 3.975 0.030 . 2 . . . . 43 SER HB2 . 11097 1 418 . 1 1 43 43 SER HB3 H 1 3.901 0.030 . 2 . . . . 43 SER HB3 . 11097 1 419 . 1 1 43 43 SER C C 13 174.027 0.300 . 1 . . . . 43 SER C . 11097 1 420 . 1 1 43 43 SER CA C 13 58.956 0.300 . 1 . . . . 43 SER CA . 11097 1 421 . 1 1 43 43 SER CB C 13 63.924 0.300 . 1 . . . . 43 SER CB . 11097 1 422 . 1 1 43 43 SER N N 15 115.444 0.300 . 1 . . . . 43 SER N . 11097 1 423 . 1 1 44 44 VAL H H 1 7.577 0.030 . 1 . . . . 44 VAL H . 11097 1 424 . 1 1 44 44 VAL HA H 1 4.299 0.030 . 1 . . . . 44 VAL HA . 11097 1 425 . 1 1 44 44 VAL HB H 1 2.090 0.030 . 1 . . . . 44 VAL HB . 11097 1 426 . 1 1 44 44 VAL HG11 H 1 0.936 0.030 . 1 . . . . 44 VAL HG1 . 11097 1 427 . 1 1 44 44 VAL HG12 H 1 0.936 0.030 . 1 . . . . 44 VAL HG1 . 11097 1 428 . 1 1 44 44 VAL HG13 H 1 0.936 0.030 . 1 . . . . 44 VAL HG1 . 11097 1 429 . 1 1 44 44 VAL HG21 H 1 0.980 0.030 . 1 . . . . 44 VAL HG2 . 11097 1 430 . 1 1 44 44 VAL HG22 H 1 0.980 0.030 . 1 . . . . 44 VAL HG2 . 11097 1 431 . 1 1 44 44 VAL HG23 H 1 0.980 0.030 . 1 . . . . 44 VAL HG2 . 11097 1 432 . 1 1 44 44 VAL C C 13 174.184 0.300 . 1 . . . . 44 VAL C . 11097 1 433 . 1 1 44 44 VAL CA C 13 60.131 0.300 . 1 . . . . 44 VAL CA . 11097 1 434 . 1 1 44 44 VAL CB C 13 32.678 0.300 . 1 . . . . 44 VAL CB . 11097 1 435 . 1 1 44 44 VAL CG1 C 13 20.723 0.300 . 2 . . . . 44 VAL CG1 . 11097 1 436 . 1 1 44 44 VAL CG2 C 13 21.153 0.300 . 2 . . . . 44 VAL CG2 . 11097 1 437 . 1 1 44 44 VAL N N 15 122.755 0.300 . 1 . . . . 44 VAL N . 11097 1 438 . 1 1 45 45 PRO HA H 1 4.452 0.030 . 1 . . . . 45 PRO HA . 11097 1 439 . 1 1 45 45 PRO HB2 H 1 2.311 0.030 . 2 . . . . 45 PRO HB2 . 11097 1 440 . 1 1 45 45 PRO HB3 H 1 1.899 0.030 . 2 . . . . 45 PRO HB3 . 11097 1 441 . 1 1 45 45 PRO HD2 H 1 3.928 0.030 . 2 . . . . 45 PRO HD2 . 11097 1 442 . 1 1 45 45 PRO HD3 H 1 3.636 0.030 . 2 . . . . 45 PRO HD3 . 11097 1 443 . 1 1 45 45 PRO HG2 H 1 2.008 0.030 . 2 . . . . 45 PRO HG2 . 11097 1 444 . 1 1 45 45 PRO C C 13 176.936 0.300 . 1 . . . . 45 PRO C . 11097 1 445 . 1 1 45 45 PRO CA C 13 62.903 0.300 . 1 . . . . 45 PRO CA . 11097 1 446 . 1 1 45 45 PRO CB C 13 32.268 0.300 . 1 . . . . 45 PRO CB . 11097 1 447 . 1 1 45 45 PRO CD C 13 51.143 0.300 . 1 . . . . 45 PRO CD . 11097 1 448 . 1 1 45 45 PRO CG C 13 27.451 0.300 . 1 . . . . 45 PRO CG . 11097 1 449 . 1 1 46 46 LYS H H 1 8.478 0.030 . 1 . . . . 46 LYS H . 11097 1 450 . 1 1 46 46 LYS HA H 1 4.184 0.030 . 1 . . . . 46 LYS HA . 11097 1 451 . 1 1 46 46 LYS HB2 H 1 1.791 0.030 . 1 . . . . 46 LYS HB2 . 11097 1 452 . 1 1 46 46 LYS HB3 H 1 1.791 0.030 . 1 . . . . 46 LYS HB3 . 11097 1 453 . 1 1 46 46 LYS HD2 H 1 1.688 0.030 . 2 . . . . 46 LYS HD2 . 11097 1 454 . 1 1 46 46 LYS HE2 H 1 3.002 0.030 . 2 . . . . 46 LYS HE2 . 11097 1 455 . 1 1 46 46 LYS HG2 H 1 1.495 0.030 . 2 . . . . 46 LYS HG2 . 11097 1 456 . 1 1 46 46 LYS HG3 H 1 1.446 0.030 . 2 . . . . 46 LYS HG3 . 11097 1 457 . 1 1 46 46 LYS C C 13 176.895 0.300 . 1 . . . . 46 LYS C . 11097 1 458 . 1 1 46 46 LYS CA C 13 57.233 0.300 . 1 . . . . 46 LYS CA . 11097 1 459 . 1 1 46 46 LYS CB C 13 32.892 0.300 . 1 . . . . 46 LYS CB . 11097 1 460 . 1 1 46 46 LYS CD C 13 28.962 0.300 . 1 . . . . 46 LYS CD . 11097 1 461 . 1 1 46 46 LYS CE C 13 42.165 0.300 . 1 . . . . 46 LYS CE . 11097 1 462 . 1 1 46 46 LYS CG C 13 24.866 0.300 . 1 . . . . 46 LYS CG . 11097 1 463 . 1 1 46 46 LYS N N 15 121.308 0.300 . 1 . . . . 46 LYS N . 11097 1 464 . 1 1 47 47 ASN H H 1 8.440 0.030 . 1 . . . . 47 ASN H . 11097 1 465 . 1 1 47 47 ASN HA H 1 4.621 0.030 . 1 . . . . 47 ASN HA . 11097 1 466 . 1 1 47 47 ASN HB2 H 1 2.865 0.030 . 1 . . . . 47 ASN HB2 . 11097 1 467 . 1 1 47 47 ASN HB3 H 1 2.865 0.030 . 1 . . . . 47 ASN HB3 . 11097 1 468 . 1 1 47 47 ASN HD21 H 1 7.624 0.030 . 2 . . . . 47 ASN HD21 . 11097 1 469 . 1 1 47 47 ASN HD22 H 1 6.914 0.030 . 2 . . . . 47 ASN HD22 . 11097 1 470 . 1 1 47 47 ASN C C 13 174.708 0.300 . 1 . . . . 47 ASN C . 11097 1 471 . 1 1 47 47 ASN CA C 13 53.351 0.300 . 1 . . . . 47 ASN CA . 11097 1 472 . 1 1 47 47 ASN CB C 13 38.216 0.300 . 1 . . . . 47 ASN CB . 11097 1 473 . 1 1 47 47 ASN N N 15 116.569 0.300 . 1 . . . . 47 ASN N . 11097 1 474 . 1 1 47 47 ASN ND2 N 15 112.753 0.300 . 1 . . . . 47 ASN ND2 . 11097 1 475 . 1 1 48 48 GLN H H 1 7.995 0.030 . 1 . . . . 48 GLN H . 11097 1 476 . 1 1 48 48 GLN HA H 1 4.370 0.030 . 1 . . . . 48 GLN HA . 11097 1 477 . 1 1 48 48 GLN HB2 H 1 2.128 0.030 . 2 . . . . 48 GLN HB2 . 11097 1 478 . 1 1 48 48 GLN HB3 H 1 1.934 0.030 . 2 . . . . 48 GLN HB3 . 11097 1 479 . 1 1 48 48 GLN HE21 H 1 7.530 0.030 . 2 . . . . 48 GLN HE21 . 11097 1 480 . 1 1 48 48 GLN HE22 H 1 6.923 0.030 . 2 . . . . 48 GLN HE22 . 11097 1 481 . 1 1 48 48 GLN HG2 H 1 2.315 0.030 . 1 . . . . 48 GLN HG2 . 11097 1 482 . 1 1 48 48 GLN HG3 H 1 2.315 0.030 . 1 . . . . 48 GLN HG3 . 11097 1 483 . 1 1 48 48 GLN C C 13 175.718 0.300 . 1 . . . . 48 GLN C . 11097 1 484 . 1 1 48 48 GLN CA C 13 55.808 0.300 . 1 . . . . 48 GLN CA . 11097 1 485 . 1 1 48 48 GLN CB C 13 30.067 0.300 . 1 . . . . 48 GLN CB . 11097 1 486 . 1 1 48 48 GLN CG C 13 33.912 0.300 . 1 . . . . 48 GLN CG . 11097 1 487 . 1 1 48 48 GLN N N 15 118.811 0.300 . 1 . . . . 48 GLN N . 11097 1 488 . 1 1 48 48 GLN NE2 N 15 112.322 0.300 . 1 . . . . 48 GLN NE2 . 11097 1 489 . 1 1 49 49 LYS H H 1 8.489 0.030 . 1 . . . . 49 LYS H . 11097 1 490 . 1 1 49 49 LYS HA H 1 4.368 0.030 . 1 . . . . 49 LYS HA . 11097 1 491 . 1 1 49 49 LYS HB2 H 1 1.885 0.030 . 2 . . . . 49 LYS HB2 . 11097 1 492 . 1 1 49 49 LYS HB3 H 1 1.785 0.030 . 2 . . . . 49 LYS HB3 . 11097 1 493 . 1 1 49 49 LYS HD2 H 1 1.681 0.030 . 2 . . . . 49 LYS HD2 . 11097 1 494 . 1 1 49 49 LYS HE2 H 1 2.998 0.030 . 2 . . . . 49 LYS HE2 . 11097 1 495 . 1 1 49 49 LYS HG2 H 1 1.489 0.030 . 2 . . . . 49 LYS HG2 . 11097 1 496 . 1 1 49 49 LYS HG3 H 1 1.424 0.030 . 2 . . . . 49 LYS HG3 . 11097 1 497 . 1 1 49 49 LYS C C 13 177.061 0.300 . 1 . . . . 49 LYS C . 11097 1 498 . 1 1 49 49 LYS CA C 13 56.758 0.300 . 1 . . . . 49 LYS CA . 11097 1 499 . 1 1 49 49 LYS CB C 13 32.922 0.300 . 1 . . . . 49 LYS CB . 11097 1 500 . 1 1 49 49 LYS CD C 13 29.099 0.300 . 1 . . . . 49 LYS CD . 11097 1 501 . 1 1 49 49 LYS CE C 13 42.075 0.300 . 1 . . . . 49 LYS CE . 11097 1 502 . 1 1 49 49 LYS CG C 13 24.911 0.300 . 1 . . . . 49 LYS CG . 11097 1 503 . 1 1 49 49 LYS N N 15 122.954 0.300 . 1 . . . . 49 LYS N . 11097 1 504 . 1 1 50 50 THR H H 1 8.123 0.030 . 1 . . . . 50 THR H . 11097 1 505 . 1 1 50 50 THR HA H 1 4.460 0.030 . 1 . . . . 50 THR HA . 11097 1 506 . 1 1 50 50 THR HB H 1 4.274 0.030 . 1 . . . . 50 THR HB . 11097 1 507 . 1 1 50 50 THR HG21 H 1 1.224 0.030 . 1 . . . . 50 THR HG2 . 11097 1 508 . 1 1 50 50 THR HG22 H 1 1.224 0.030 . 1 . . . . 50 THR HG2 . 11097 1 509 . 1 1 50 50 THR HG23 H 1 1.224 0.030 . 1 . . . . 50 THR HG2 . 11097 1 510 . 1 1 50 50 THR C C 13 174.265 0.300 . 1 . . . . 50 THR C . 11097 1 511 . 1 1 50 50 THR CA C 13 61.526 0.300 . 1 . . . . 50 THR CA . 11097 1 512 . 1 1 50 50 THR CB C 13 69.941 0.300 . 1 . . . . 50 THR CB . 11097 1 513 . 1 1 50 50 THR CG2 C 13 21.452 0.300 . 1 . . . . 50 THR CG2 . 11097 1 514 . 1 1 50 50 THR N N 15 114.475 0.300 . 1 . . . . 50 THR N . 11097 1 515 . 1 1 51 51 SER HA H 1 4.506 0.030 . 1 . . . . 51 SER HA . 11097 1 516 . 1 1 51 51 SER HB2 H 1 3.902 0.030 . 2 . . . . 51 SER HB2 . 11097 1 517 . 1 1 51 51 SER C C 13 174.380 0.300 . 1 . . . . 51 SER C . 11097 1 518 . 1 1 51 51 SER CA C 13 58.467 0.300 . 1 . . . . 51 SER CA . 11097 1 519 . 1 1 51 51 SER CB C 13 63.429 0.300 . 1 . . . . 51 SER CB . 11097 1 520 . 1 1 52 52 GLU H H 1 8.109 0.030 . 1 . . . . 52 GLU H . 11097 1 521 . 1 1 52 52 GLU HA H 1 4.409 0.030 . 1 . . . . 52 GLU HA . 11097 1 522 . 1 1 52 52 GLU HB2 H 1 1.951 0.030 . 2 . . . . 52 GLU HB2 . 11097 1 523 . 1 1 52 52 GLU HB3 H 1 1.893 0.030 . 2 . . . . 52 GLU HB3 . 11097 1 524 . 1 1 52 52 GLU HG2 H 1 2.202 0.030 . 1 . . . . 52 GLU HG2 . 11097 1 525 . 1 1 52 52 GLU HG3 H 1 2.202 0.030 . 1 . . . . 52 GLU HG3 . 11097 1 526 . 1 1 52 52 GLU C C 13 175.637 0.300 . 1 . . . . 52 GLU C . 11097 1 527 . 1 1 52 52 GLU CA C 13 55.915 0.300 . 1 . . . . 52 GLU CA . 11097 1 528 . 1 1 52 52 GLU CB C 13 31.059 0.300 . 1 . . . . 52 GLU CB . 11097 1 529 . 1 1 52 52 GLU CG C 13 36.371 0.300 . 1 . . . . 52 GLU CG . 11097 1 530 . 1 1 52 52 GLU N N 15 122.691 0.300 . 1 . . . . 52 GLU N . 11097 1 531 . 1 1 53 53 VAL H H 1 8.335 0.030 . 1 . . . . 53 VAL H . 11097 1 532 . 1 1 53 53 VAL HA H 1 4.059 0.030 . 1 . . . . 53 VAL HA . 11097 1 533 . 1 1 53 53 VAL HB H 1 2.005 0.030 . 1 . . . . 53 VAL HB . 11097 1 534 . 1 1 53 53 VAL HG11 H 1 0.995 0.030 . 1 . . . . 53 VAL HG1 . 11097 1 535 . 1 1 53 53 VAL HG12 H 1 0.995 0.030 . 1 . . . . 53 VAL HG1 . 11097 1 536 . 1 1 53 53 VAL HG13 H 1 0.995 0.030 . 1 . . . . 53 VAL HG1 . 11097 1 537 . 1 1 53 53 VAL HG21 H 1 0.906 0.030 . 1 . . . . 53 VAL HG2 . 11097 1 538 . 1 1 53 53 VAL HG22 H 1 0.906 0.030 . 1 . . . . 53 VAL HG2 . 11097 1 539 . 1 1 53 53 VAL HG23 H 1 0.906 0.030 . 1 . . . . 53 VAL HG2 . 11097 1 540 . 1 1 53 53 VAL C C 13 175.656 0.300 . 1 . . . . 53 VAL C . 11097 1 541 . 1 1 53 53 VAL CA C 13 62.793 0.300 . 1 . . . . 53 VAL CA . 11097 1 542 . 1 1 53 53 VAL CB C 13 32.841 0.300 . 1 . . . . 53 VAL CB . 11097 1 543 . 1 1 53 53 VAL CG1 C 13 21.116 0.300 . 2 . . . . 53 VAL CG1 . 11097 1 544 . 1 1 53 53 VAL CG2 C 13 21.050 0.300 . 2 . . . . 53 VAL CG2 . 11097 1 545 . 1 1 53 53 VAL N N 15 123.432 0.300 . 1 . . . . 53 VAL N . 11097 1 546 . 1 1 54 54 ARG H H 1 8.267 0.030 . 1 . . . . 54 ARG H . 11097 1 547 . 1 1 54 54 ARG HA H 1 4.367 0.030 . 1 . . . . 54 ARG HA . 11097 1 548 . 1 1 54 54 ARG HB2 H 1 1.532 0.030 . 2 . . . . 54 ARG HB2 . 11097 1 549 . 1 1 54 54 ARG HB3 H 1 1.176 0.030 . 2 . . . . 54 ARG HB3 . 11097 1 550 . 1 1 54 54 ARG HD2 H 1 3.156 0.030 . 1 . . . . 54 ARG HD2 . 11097 1 551 . 1 1 54 54 ARG HD3 H 1 3.156 0.030 . 1 . . . . 54 ARG HD3 . 11097 1 552 . 1 1 54 54 ARG HG2 H 1 1.200 0.030 . 2 . . . . 54 ARG HG2 . 11097 1 553 . 1 1 54 54 ARG HG3 H 1 1.513 0.030 . 2 . . . . 54 ARG HG3 . 11097 1 554 . 1 1 54 54 ARG C C 13 173.066 0.300 . 1 . . . . 54 ARG C . 11097 1 555 . 1 1 54 54 ARG CA C 13 55.350 0.300 . 1 . . . . 54 ARG CA . 11097 1 556 . 1 1 54 54 ARG CB C 13 31.932 0.300 . 1 . . . . 54 ARG CB . 11097 1 557 . 1 1 54 54 ARG CD C 13 43.655 0.300 . 1 . . . . 54 ARG CD . 11097 1 558 . 1 1 54 54 ARG CG C 13 28.578 0.300 . 1 . . . . 54 ARG CG . 11097 1 559 . 1 1 54 54 ARG N N 15 126.341 0.300 . 1 . . . . 54 ARG N . 11097 1 560 . 1 1 55 55 LEU H H 1 8.166 0.030 . 1 . . . . 55 LEU H . 11097 1 561 . 1 1 55 55 LEU HA H 1 4.476 0.030 . 1 . . . . 55 LEU HA . 11097 1 562 . 1 1 55 55 LEU HB2 H 1 1.597 0.030 . 2 . . . . 55 LEU HB2 . 11097 1 563 . 1 1 55 55 LEU HB3 H 1 1.177 0.030 . 2 . . . . 55 LEU HB3 . 11097 1 564 . 1 1 55 55 LEU HD11 H 1 0.728 0.030 . 1 . . . . 55 LEU HD1 . 11097 1 565 . 1 1 55 55 LEU HD12 H 1 0.728 0.030 . 1 . . . . 55 LEU HD1 . 11097 1 566 . 1 1 55 55 LEU HD13 H 1 0.728 0.030 . 1 . . . . 55 LEU HD1 . 11097 1 567 . 1 1 55 55 LEU HD21 H 1 0.811 0.030 . 1 . . . . 55 LEU HD2 . 11097 1 568 . 1 1 55 55 LEU HD22 H 1 0.811 0.030 . 1 . . . . 55 LEU HD2 . 11097 1 569 . 1 1 55 55 LEU HD23 H 1 0.811 0.030 . 1 . . . . 55 LEU HD2 . 11097 1 570 . 1 1 55 55 LEU HG H 1 1.269 0.030 . 1 . . . . 55 LEU HG . 11097 1 571 . 1 1 55 55 LEU C C 13 175.383 0.300 . 1 . . . . 55 LEU C . 11097 1 572 . 1 1 55 55 LEU CA C 13 53.318 0.300 . 1 . . . . 55 LEU CA . 11097 1 573 . 1 1 55 55 LEU CB C 13 45.426 0.300 . 1 . . . . 55 LEU CB . 11097 1 574 . 1 1 55 55 LEU CD1 C 13 25.243 0.300 . 2 . . . . 55 LEU CD1 . 11097 1 575 . 1 1 55 55 LEU CD2 C 13 24.022 0.300 . 2 . . . . 55 LEU CD2 . 11097 1 576 . 1 1 55 55 LEU CG C 13 26.898 0.300 . 1 . . . . 55 LEU CG . 11097 1 577 . 1 1 55 55 LEU N N 15 123.241 0.300 . 1 . . . . 55 LEU N . 11097 1 578 . 1 1 56 56 TYR H H 1 9.448 0.030 . 1 . . . . 56 TYR H . 11097 1 579 . 1 1 56 56 TYR HA H 1 5.326 0.030 . 1 . . . . 56 TYR HA . 11097 1 580 . 1 1 56 56 TYR HB2 H 1 3.272 0.030 . 2 . . . . 56 TYR HB2 . 11097 1 581 . 1 1 56 56 TYR HB3 H 1 2.559 0.030 . 2 . . . . 56 TYR HB3 . 11097 1 582 . 1 1 56 56 TYR HE1 H 1 6.704 0.030 . 1 . . . . 56 TYR HE1 . 11097 1 583 . 1 1 56 56 TYR HE2 H 1 6.704 0.030 . 1 . . . . 56 TYR HE2 . 11097 1 584 . 1 1 56 56 TYR C C 13 175.029 0.300 . 1 . . . . 56 TYR C . 11097 1 585 . 1 1 56 56 TYR CA C 13 57.244 0.300 . 1 . . . . 56 TYR CA . 11097 1 586 . 1 1 56 56 TYR CB C 13 39.721 0.300 . 1 . . . . 56 TYR CB . 11097 1 587 . 1 1 56 56 TYR CE1 C 13 117.035 0.300 . 1 . . . . 56 TYR CE1 . 11097 1 588 . 1 1 56 56 TYR CE2 C 13 117.035 0.300 . 1 . . . . 56 TYR CE2 . 11097 1 589 . 1 1 56 56 TYR N N 15 129.271 0.300 . 1 . . . . 56 TYR N . 11097 1 590 . 1 1 57 57 THR H H 1 8.365 0.030 . 1 . . . . 57 THR H . 11097 1 591 . 1 1 57 57 THR HA H 1 5.157 0.030 . 1 . . . . 57 THR HA . 11097 1 592 . 1 1 57 57 THR HB H 1 3.458 0.030 . 1 . . . . 57 THR HB . 11097 1 593 . 1 1 57 57 THR HG21 H 1 1.276 0.030 . 1 . . . . 57 THR HG2 . 11097 1 594 . 1 1 57 57 THR HG22 H 1 1.276 0.030 . 1 . . . . 57 THR HG2 . 11097 1 595 . 1 1 57 57 THR HG23 H 1 1.276 0.030 . 1 . . . . 57 THR HG2 . 11097 1 596 . 1 1 57 57 THR C C 13 172.405 0.300 . 1 . . . . 57 THR C . 11097 1 597 . 1 1 57 57 THR CA C 13 61.734 0.300 . 1 . . . . 57 THR CA . 11097 1 598 . 1 1 57 57 THR CB C 13 70.781 0.300 . 1 . . . . 57 THR CB . 11097 1 599 . 1 1 57 57 THR CG2 C 13 22.389 0.300 . 1 . . . . 57 THR CG2 . 11097 1 600 . 1 1 57 57 THR N N 15 119.060 0.300 . 1 . . . . 57 THR N . 11097 1 601 . 1 1 58 58 VAL H H 1 9.108 0.030 . 1 . . . . 58 VAL H . 11097 1 602 . 1 1 58 58 VAL HA H 1 4.822 0.030 . 1 . . . . 58 VAL HA . 11097 1 603 . 1 1 58 58 VAL HB H 1 1.856 0.030 . 1 . . . . 58 VAL HB . 11097 1 604 . 1 1 58 58 VAL HG11 H 1 1.230 0.030 . 1 . . . . 58 VAL HG1 . 11097 1 605 . 1 1 58 58 VAL HG12 H 1 1.230 0.030 . 1 . . . . 58 VAL HG1 . 11097 1 606 . 1 1 58 58 VAL HG13 H 1 1.230 0.030 . 1 . . . . 58 VAL HG1 . 11097 1 607 . 1 1 58 58 VAL HG21 H 1 0.828 0.030 . 1 . . . . 58 VAL HG2 . 11097 1 608 . 1 1 58 58 VAL HG22 H 1 0.828 0.030 . 1 . . . . 58 VAL HG2 . 11097 1 609 . 1 1 58 58 VAL HG23 H 1 0.828 0.030 . 1 . . . . 58 VAL HG2 . 11097 1 610 . 1 1 58 58 VAL C C 13 173.905 0.300 . 1 . . . . 58 VAL C . 11097 1 611 . 1 1 58 58 VAL CA C 13 60.102 0.300 . 1 . . . . 58 VAL CA . 11097 1 612 . 1 1 58 58 VAL CB C 13 33.810 0.300 . 1 . . . . 58 VAL CB . 11097 1 613 . 1 1 58 58 VAL CG1 C 13 21.335 0.300 . 2 . . . . 58 VAL CG1 . 11097 1 614 . 1 1 58 58 VAL CG2 C 13 23.020 0.300 . 2 . . . . 58 VAL CG2 . 11097 1 615 . 1 1 58 58 VAL N N 15 128.052 0.300 . 1 . . . . 58 VAL N . 11097 1 616 . 1 1 59 59 ARG H H 1 9.379 0.030 . 1 . . . . 59 ARG H . 11097 1 617 . 1 1 59 59 ARG HA H 1 5.866 0.030 . 1 . . . . 59 ARG HA . 11097 1 618 . 1 1 59 59 ARG HB2 H 1 1.169 0.030 . 2 . . . . 59 ARG HB2 . 11097 1 619 . 1 1 59 59 ARG HB3 H 1 0.976 0.030 . 2 . . . . 59 ARG HB3 . 11097 1 620 . 1 1 59 59 ARG HD2 H 1 0.281 0.030 . 2 . . . . 59 ARG HD2 . 11097 1 621 . 1 1 59 59 ARG HD3 H 1 0.159 0.030 . 2 . . . . 59 ARG HD3 . 11097 1 622 . 1 1 59 59 ARG HE H 1 5.414 0.030 . 1 . . . . 59 ARG HE . 11097 1 623 . 1 1 59 59 ARG HG2 H 1 0.726 0.030 . 2 . . . . 59 ARG HG2 . 11097 1 624 . 1 1 59 59 ARG HG3 H 1 0.937 0.030 . 2 . . . . 59 ARG HG3 . 11097 1 625 . 1 1 59 59 ARG C C 13 175.019 0.300 . 1 . . . . 59 ARG C . 11097 1 626 . 1 1 59 59 ARG CA C 13 53.053 0.300 . 1 . . . . 59 ARG CA . 11097 1 627 . 1 1 59 59 ARG CB C 13 33.676 0.300 . 1 . . . . 59 ARG CB . 11097 1 628 . 1 1 59 59 ARG CD C 13 41.595 0.300 . 1 . . . . 59 ARG CD . 11097 1 629 . 1 1 59 59 ARG CG C 13 25.260 0.300 . 1 . . . . 59 ARG CG . 11097 1 630 . 1 1 59 59 ARG N N 15 123.623 0.300 . 1 . . . . 59 ARG N . 11097 1 631 . 1 1 60 60 TRP H H 1 8.656 0.030 . 1 . . . . 60 TRP H . 11097 1 632 . 1 1 60 60 TRP HA H 1 5.927 0.030 . 1 . . . . 60 TRP HA . 11097 1 633 . 1 1 60 60 TRP HB2 H 1 1.957 0.030 . 2 . . . . 60 TRP HB2 . 11097 1 634 . 1 1 60 60 TRP HB3 H 1 3.343 0.030 . 2 . . . . 60 TRP HB3 . 11097 1 635 . 1 1 60 60 TRP HD1 H 1 6.521 0.030 . 1 . . . . 60 TRP HD1 . 11097 1 636 . 1 1 60 60 TRP HE1 H 1 9.635 0.030 . 1 . . . . 60 TRP HE1 . 11097 1 637 . 1 1 60 60 TRP HE3 H 1 7.268 0.030 . 1 . . . . 60 TRP HE3 . 11097 1 638 . 1 1 60 60 TRP HH2 H 1 7.317 0.030 . 1 . . . . 60 TRP HH2 . 11097 1 639 . 1 1 60 60 TRP HZ2 H 1 7.583 0.030 . 1 . . . . 60 TRP HZ2 . 11097 1 640 . 1 1 60 60 TRP HZ3 H 1 6.860 0.030 . 1 . . . . 60 TRP HZ3 . 11097 1 641 . 1 1 60 60 TRP C C 13 174.730 0.300 . 1 . . . . 60 TRP C . 11097 1 642 . 1 1 60 60 TRP CA C 13 56.322 0.300 . 1 . . . . 60 TRP CA . 11097 1 643 . 1 1 60 60 TRP CB C 13 34.560 0.300 . 1 . . . . 60 TRP CB . 11097 1 644 . 1 1 60 60 TRP CD1 C 13 125.328 0.300 . 1 . . . . 60 TRP CD1 . 11097 1 645 . 1 1 60 60 TRP CE3 C 13 121.172 0.300 . 1 . . . . 60 TRP CE3 . 11097 1 646 . 1 1 60 60 TRP CH2 C 13 124.528 0.300 . 1 . . . . 60 TRP CH2 . 11097 1 647 . 1 1 60 60 TRP CZ2 C 13 114.123 0.300 . 1 . . . . 60 TRP CZ2 . 11097 1 648 . 1 1 60 60 TRP CZ3 C 13 122.053 0.300 . 1 . . . . 60 TRP CZ3 . 11097 1 649 . 1 1 60 60 TRP N N 15 115.991 0.300 . 1 . . . . 60 TRP N . 11097 1 650 . 1 1 60 60 TRP NE1 N 15 127.920 0.300 . 1 . . . . 60 TRP NE1 . 11097 1 651 . 1 1 61 61 ARG H H 1 7.977 0.030 . 1 . . . . 61 ARG H . 11097 1 652 . 1 1 61 61 ARG HA H 1 4.892 0.030 . 1 . . . . 61 ARG HA . 11097 1 653 . 1 1 61 61 ARG HB2 H 1 1.311 0.030 . 2 . . . . 61 ARG HB2 . 11097 1 654 . 1 1 61 61 ARG HB3 H 1 1.251 0.030 . 2 . . . . 61 ARG HB3 . 11097 1 655 . 1 1 61 61 ARG HD2 H 1 2.347 0.030 . 2 . . . . 61 ARG HD2 . 11097 1 656 . 1 1 61 61 ARG HD3 H 1 1.222 0.030 . 2 . . . . 61 ARG HD3 . 11097 1 657 . 1 1 61 61 ARG HE H 1 6.591 0.030 . 1 . . . . 61 ARG HE . 11097 1 658 . 1 1 61 61 ARG HG2 H 1 0.982 0.030 . 2 . . . . 61 ARG HG2 . 11097 1 659 . 1 1 61 61 ARG HG3 H 1 1.107 0.030 . 2 . . . . 61 ARG HG3 . 11097 1 660 . 1 1 61 61 ARG C C 13 174.609 0.300 . 1 . . . . 61 ARG C . 11097 1 661 . 1 1 61 61 ARG CA C 13 53.751 0.300 . 1 . . . . 61 ARG CA . 11097 1 662 . 1 1 61 61 ARG CB C 13 33.184 0.300 . 1 . . . . 61 ARG CB . 11097 1 663 . 1 1 61 61 ARG CD C 13 43.188 0.300 . 1 . . . . 61 ARG CD . 11097 1 664 . 1 1 61 61 ARG CG C 13 23.987 0.300 . 1 . . . . 61 ARG CG . 11097 1 665 . 1 1 61 61 ARG N N 15 113.337 0.300 . 1 . . . . 61 ARG N . 11097 1 666 . 1 1 61 61 ARG NE N 15 85.732 0.300 . 1 . . . . 61 ARG NE . 11097 1 667 . 1 1 62 62 THR H H 1 8.392 0.030 . 1 . . . . 62 THR H . 11097 1 668 . 1 1 62 62 THR HA H 1 3.929 0.030 . 1 . . . . 62 THR HA . 11097 1 669 . 1 1 62 62 THR HB H 1 3.991 0.030 . 1 . . . . 62 THR HB . 11097 1 670 . 1 1 62 62 THR HG21 H 1 0.967 0.030 . 1 . . . . 62 THR HG2 . 11097 1 671 . 1 1 62 62 THR HG22 H 1 0.967 0.030 . 1 . . . . 62 THR HG2 . 11097 1 672 . 1 1 62 62 THR HG23 H 1 0.967 0.030 . 1 . . . . 62 THR HG2 . 11097 1 673 . 1 1 62 62 THR C C 13 175.314 0.300 . 1 . . . . 62 THR C . 11097 1 674 . 1 1 62 62 THR CA C 13 62.236 0.300 . 1 . . . . 62 THR CA . 11097 1 675 . 1 1 62 62 THR CB C 13 68.896 0.300 . 1 . . . . 62 THR CB . 11097 1 676 . 1 1 62 62 THR CG2 C 13 22.422 0.300 . 1 . . . . 62 THR CG2 . 11097 1 677 . 1 1 62 62 THR N N 15 114.578 0.300 . 1 . . . . 62 THR N . 11097 1 678 . 1 1 63 63 SER H H 1 8.396 0.030 . 1 . . . . 63 SER H . 11097 1 679 . 1 1 63 63 SER HA H 1 3.940 0.030 . 1 . . . . 63 SER HA . 11097 1 680 . 1 1 63 63 SER HB2 H 1 3.221 0.030 . 2 . . . . 63 SER HB2 . 11097 1 681 . 1 1 63 63 SER HB3 H 1 3.089 0.030 . 2 . . . . 63 SER HB3 . 11097 1 682 . 1 1 63 63 SER C C 13 174.916 0.300 . 1 . . . . 63 SER C . 11097 1 683 . 1 1 63 63 SER CA C 13 60.900 0.300 . 1 . . . . 63 SER CA . 11097 1 684 . 1 1 63 63 SER CB C 13 63.285 0.300 . 1 . . . . 63 SER CB . 11097 1 685 . 1 1 63 63 SER N N 15 121.213 0.300 . 1 . . . . 63 SER N . 11097 1 686 . 1 1 64 64 PHE H H 1 8.571 0.030 . 1 . . . . 64 PHE H . 11097 1 687 . 1 1 64 64 PHE HA H 1 4.345 0.030 . 1 . . . . 64 PHE HA . 11097 1 688 . 1 1 64 64 PHE HB2 H 1 3.264 0.030 . 2 . . . . 64 PHE HB2 . 11097 1 689 . 1 1 64 64 PHE HB3 H 1 3.052 0.030 . 2 . . . . 64 PHE HB3 . 11097 1 690 . 1 1 64 64 PHE HD1 H 1 7.150 0.030 . 1 . . . . 64 PHE HD1 . 11097 1 691 . 1 1 64 64 PHE HD2 H 1 7.150 0.030 . 1 . . . . 64 PHE HD2 . 11097 1 692 . 1 1 64 64 PHE HE1 H 1 7.265 0.030 . 1 . . . . 64 PHE HE1 . 11097 1 693 . 1 1 64 64 PHE HE2 H 1 7.265 0.030 . 1 . . . . 64 PHE HE2 . 11097 1 694 . 1 1 64 64 PHE HZ H 1 7.103 0.030 . 1 . . . . 64 PHE HZ . 11097 1 695 . 1 1 64 64 PHE C C 13 175.206 0.300 . 1 . . . . 64 PHE C . 11097 1 696 . 1 1 64 64 PHE CA C 13 58.171 0.300 . 1 . . . . 64 PHE CA . 11097 1 697 . 1 1 64 64 PHE CB C 13 36.788 0.300 . 1 . . . . 64 PHE CB . 11097 1 698 . 1 1 64 64 PHE CD1 C 13 131.551 0.300 . 1 . . . . 64 PHE CD1 . 11097 1 699 . 1 1 64 64 PHE CD2 C 13 131.551 0.300 . 1 . . . . 64 PHE CD2 . 11097 1 700 . 1 1 64 64 PHE CE1 C 13 131.524 0.300 . 1 . . . . 64 PHE CE1 . 11097 1 701 . 1 1 64 64 PHE CE2 C 13 131.524 0.300 . 1 . . . . 64 PHE CE2 . 11097 1 702 . 1 1 64 64 PHE CZ C 13 129.501 0.300 . 1 . . . . 64 PHE CZ . 11097 1 703 . 1 1 64 64 PHE N N 15 117.739 0.300 . 1 . . . . 64 PHE N . 11097 1 704 . 1 1 65 65 SER H H 1 7.589 0.030 . 1 . . . . 65 SER H . 11097 1 705 . 1 1 65 65 SER HA H 1 4.520 0.030 . 1 . . . . 65 SER HA . 11097 1 706 . 1 1 65 65 SER HB2 H 1 3.679 0.030 . 2 . . . . 65 SER HB2 . 11097 1 707 . 1 1 65 65 SER HB3 H 1 3.531 0.030 . 2 . . . . 65 SER HB3 . 11097 1 708 . 1 1 65 65 SER C C 13 174.956 0.300 . 1 . . . . 65 SER C . 11097 1 709 . 1 1 65 65 SER CA C 13 56.870 0.300 . 1 . . . . 65 SER CA . 11097 1 710 . 1 1 65 65 SER CB C 13 63.703 0.300 . 1 . . . . 65 SER CB . 11097 1 711 . 1 1 65 65 SER N N 15 113.339 0.300 . 1 . . . . 65 SER N . 11097 1 712 . 1 1 66 66 ALA HA H 1 4.142 0.030 . 1 . . . . 66 ALA HA . 11097 1 713 . 1 1 66 66 ALA HB1 H 1 1.401 0.030 . 1 . . . . 66 ALA HB . 11097 1 714 . 1 1 66 66 ALA HB2 H 1 1.401 0.030 . 1 . . . . 66 ALA HB . 11097 1 715 . 1 1 66 66 ALA HB3 H 1 1.401 0.030 . 1 . . . . 66 ALA HB . 11097 1 716 . 1 1 66 66 ALA CA C 13 53.985 0.300 . 1 . . . . 66 ALA CA . 11097 1 717 . 1 1 66 66 ALA CB C 13 18.613 0.300 . 1 . . . . 66 ALA CB . 11097 1 718 . 1 1 67 67 SER HA H 1 4.376 0.030 . 1 . . . . 67 SER HA . 11097 1 719 . 1 1 67 67 SER HB2 H 1 3.859 0.030 . 2 . . . . 67 SER HB2 . 11097 1 720 . 1 1 67 67 SER HB3 H 1 3.753 0.030 . 2 . . . . 67 SER HB3 . 11097 1 721 . 1 1 67 67 SER C C 13 174.266 0.300 . 1 . . . . 67 SER C . 11097 1 722 . 1 1 67 67 SER CA C 13 57.647 0.300 . 1 . . . . 67 SER CA . 11097 1 723 . 1 1 67 67 SER CB C 13 63.685 0.300 . 1 . . . . 67 SER CB . 11097 1 724 . 1 1 68 68 ALA H H 1 7.572 0.030 . 1 . . . . 68 ALA H . 11097 1 725 . 1 1 68 68 ALA HA H 1 4.140 0.030 . 1 . . . . 68 ALA HA . 11097 1 726 . 1 1 68 68 ALA HB1 H 1 1.300 0.030 . 1 . . . . 68 ALA HB . 11097 1 727 . 1 1 68 68 ALA HB2 H 1 1.300 0.030 . 1 . . . . 68 ALA HB . 11097 1 728 . 1 1 68 68 ALA HB3 H 1 1.300 0.030 . 1 . . . . 68 ALA HB . 11097 1 729 . 1 1 68 68 ALA C C 13 176.903 0.300 . 1 . . . . 68 ALA C . 11097 1 730 . 1 1 68 68 ALA CA C 13 52.334 0.300 . 1 . . . . 68 ALA CA . 11097 1 731 . 1 1 68 68 ALA CB C 13 19.586 0.300 . 1 . . . . 68 ALA CB . 11097 1 732 . 1 1 68 68 ALA N N 15 126.029 0.300 . 1 . . . . 68 ALA N . 11097 1 733 . 1 1 69 69 LYS H H 1 8.181 0.030 . 1 . . . . 69 LYS H . 11097 1 734 . 1 1 69 69 LYS HA H 1 4.265 0.030 . 1 . . . . 69 LYS HA . 11097 1 735 . 1 1 69 69 LYS HB2 H 1 1.763 0.030 . 2 . . . . 69 LYS HB2 . 11097 1 736 . 1 1 69 69 LYS HB3 H 1 1.638 0.030 . 2 . . . . 69 LYS HB3 . 11097 1 737 . 1 1 69 69 LYS HD2 H 1 1.654 0.030 . 2 . . . . 69 LYS HD2 . 11097 1 738 . 1 1 69 69 LYS HG2 H 1 1.402 0.030 . 2 . . . . 69 LYS HG2 . 11097 1 739 . 1 1 69 69 LYS HG3 H 1 1.463 0.030 . 2 . . . . 69 LYS HG3 . 11097 1 740 . 1 1 69 69 LYS C C 13 176.500 0.300 . 1 . . . . 69 LYS C . 11097 1 741 . 1 1 69 69 LYS CA C 13 55.153 0.300 . 1 . . . . 69 LYS CA . 11097 1 742 . 1 1 69 69 LYS CB C 13 33.442 0.300 . 1 . . . . 69 LYS CB . 11097 1 743 . 1 1 69 69 LYS CD C 13 28.877 0.300 . 1 . . . . 69 LYS CD . 11097 1 744 . 1 1 69 69 LYS CE C 13 42.350 0.300 . 1 . . . . 69 LYS CE . 11097 1 745 . 1 1 69 69 LYS CG C 13 24.820 0.300 . 1 . . . . 69 LYS CG . 11097 1 746 . 1 1 69 69 LYS N N 15 121.373 0.300 . 1 . . . . 69 LYS N . 11097 1 747 . 1 1 70 70 TYR H H 1 8.391 0.030 . 1 . . . . 70 TYR H . 11097 1 748 . 1 1 70 70 TYR HA H 1 4.432 0.030 . 1 . . . . 70 TYR HA . 11097 1 749 . 1 1 70 70 TYR HB2 H 1 2.530 0.030 . 2 . . . . 70 TYR HB2 . 11097 1 750 . 1 1 70 70 TYR HB3 H 1 2.421 0.030 . 2 . . . . 70 TYR HB3 . 11097 1 751 . 1 1 70 70 TYR HD1 H 1 6.657 0.030 . 1 . . . . 70 TYR HD1 . 11097 1 752 . 1 1 70 70 TYR HD2 H 1 6.657 0.030 . 1 . . . . 70 TYR HD2 . 11097 1 753 . 1 1 70 70 TYR HE1 H 1 6.434 0.030 . 1 . . . . 70 TYR HE1 . 11097 1 754 . 1 1 70 70 TYR HE2 H 1 6.434 0.030 . 1 . . . . 70 TYR HE2 . 11097 1 755 . 1 1 70 70 TYR C C 13 177.301 0.300 . 1 . . . . 70 TYR C . 11097 1 756 . 1 1 70 70 TYR CA C 13 58.888 0.300 . 1 . . . . 70 TYR CA . 11097 1 757 . 1 1 70 70 TYR CB C 13 39.844 0.300 . 1 . . . . 70 TYR CB . 11097 1 758 . 1 1 70 70 TYR CD1 C 13 132.577 0.300 . 1 . . . . 70 TYR CD1 . 11097 1 759 . 1 1 70 70 TYR CD2 C 13 132.577 0.300 . 1 . . . . 70 TYR CD2 . 11097 1 760 . 1 1 70 70 TYR CE1 C 13 117.190 0.300 . 1 . . . . 70 TYR CE1 . 11097 1 761 . 1 1 70 70 TYR CE2 C 13 117.190 0.300 . 1 . . . . 70 TYR CE2 . 11097 1 762 . 1 1 70 70 TYR N N 15 120.369 0.300 . 1 . . . . 70 TYR N . 11097 1 763 . 1 1 71 71 LYS H H 1 8.108 0.030 . 1 . . . . 71 LYS H . 11097 1 764 . 1 1 71 71 LYS HA H 1 4.209 0.030 . 1 . . . . 71 LYS HA . 11097 1 765 . 1 1 71 71 LYS HB2 H 1 0.803 0.030 . 2 . . . . 71 LYS HB2 . 11097 1 766 . 1 1 71 71 LYS HB3 H 1 0.461 0.030 . 2 . . . . 71 LYS HB3 . 11097 1 767 . 1 1 71 71 LYS HD2 H 1 1.726 0.030 . 2 . . . . 71 LYS HD2 . 11097 1 768 . 1 1 71 71 LYS HD3 H 1 1.673 0.030 . 2 . . . . 71 LYS HD3 . 11097 1 769 . 1 1 71 71 LYS HE2 H 1 3.077 0.030 . 1 . . . . 71 LYS HE2 . 11097 1 770 . 1 1 71 71 LYS HE3 H 1 3.077 0.030 . 1 . . . . 71 LYS HE3 . 11097 1 771 . 1 1 71 71 LYS HG2 H 1 1.198 0.030 . 2 . . . . 71 LYS HG2 . 11097 1 772 . 1 1 71 71 LYS HG3 H 1 1.124 0.030 . 2 . . . . 71 LYS HG3 . 11097 1 773 . 1 1 71 71 LYS C C 13 173.811 0.300 . 1 . . . . 71 LYS C . 11097 1 774 . 1 1 71 71 LYS CA C 13 54.761 0.300 . 1 . . . . 71 LYS CA . 11097 1 775 . 1 1 71 71 LYS CB C 13 34.064 0.300 . 1 . . . . 71 LYS CB . 11097 1 776 . 1 1 71 71 LYS CD C 13 28.962 0.300 . 1 . . . . 71 LYS CD . 11097 1 777 . 1 1 71 71 LYS CE C 13 42.458 0.300 . 1 . . . . 71 LYS CE . 11097 1 778 . 1 1 71 71 LYS CG C 13 25.333 0.300 . 1 . . . . 71 LYS CG . 11097 1 779 . 1 1 71 71 LYS N N 15 122.971 0.300 . 1 . . . . 71 LYS N . 11097 1 780 . 1 1 72 72 SER H H 1 7.669 0.030 . 1 . . . . 72 SER H . 11097 1 781 . 1 1 72 72 SER HA H 1 5.499 0.030 . 1 . . . . 72 SER HA . 11097 1 782 . 1 1 72 72 SER HB2 H 1 3.618 0.030 . 2 . . . . 72 SER HB2 . 11097 1 783 . 1 1 72 72 SER HB3 H 1 3.449 0.030 . 2 . . . . 72 SER HB3 . 11097 1 784 . 1 1 72 72 SER C C 13 173.482 0.300 . 1 . . . . 72 SER C . 11097 1 785 . 1 1 72 72 SER CA C 13 57.213 0.300 . 1 . . . . 72 SER CA . 11097 1 786 . 1 1 72 72 SER CB C 13 67.063 0.300 . 1 . . . . 72 SER CB . 11097 1 787 . 1 1 72 72 SER N N 15 111.829 0.300 . 1 . . . . 72 SER N . 11097 1 788 . 1 1 73 73 GLU H H 1 8.760 0.030 . 1 . . . . 73 GLU H . 11097 1 789 . 1 1 73 73 GLU HA H 1 4.550 0.030 . 1 . . . . 73 GLU HA . 11097 1 790 . 1 1 73 73 GLU HB2 H 1 1.919 0.030 . 2 . . . . 73 GLU HB2 . 11097 1 791 . 1 1 73 73 GLU HB3 H 1 1.813 0.030 . 2 . . . . 73 GLU HB3 . 11097 1 792 . 1 1 73 73 GLU HG2 H 1 2.752 0.030 . 2 . . . . 73 GLU HG2 . 11097 1 793 . 1 1 73 73 GLU HG3 H 1 2.595 0.030 . 2 . . . . 73 GLU HG3 . 11097 1 794 . 1 1 73 73 GLU C C 13 173.327 0.300 . 1 . . . . 73 GLU C . 11097 1 795 . 1 1 73 73 GLU CA C 13 55.887 0.300 . 1 . . . . 73 GLU CA . 11097 1 796 . 1 1 73 73 GLU CB C 13 34.264 0.300 . 1 . . . . 73 GLU CB . 11097 1 797 . 1 1 73 73 GLU CG C 13 36.806 0.300 . 1 . . . . 73 GLU CG . 11097 1 798 . 1 1 73 73 GLU N N 15 120.660 0.300 . 1 . . . . 73 GLU N . 11097 1 799 . 1 1 74 74 ASP H H 1 8.474 0.030 . 1 . . . . 74 ASP H . 11097 1 800 . 1 1 74 74 ASP HA H 1 6.043 0.030 . 1 . . . . 74 ASP HA . 11097 1 801 . 1 1 74 74 ASP HB2 H 1 2.579 0.030 . 1 . . . . 74 ASP HB2 . 11097 1 802 . 1 1 74 74 ASP HB3 H 1 2.579 0.030 . 1 . . . . 74 ASP HB3 . 11097 1 803 . 1 1 74 74 ASP C C 13 176.804 0.300 . 1 . . . . 74 ASP C . 11097 1 804 . 1 1 74 74 ASP CA C 13 52.679 0.300 . 1 . . . . 74 ASP CA . 11097 1 805 . 1 1 74 74 ASP CB C 13 43.434 0.300 . 1 . . . . 74 ASP CB . 11097 1 806 . 1 1 74 74 ASP N N 15 121.150 0.300 . 1 . . . . 74 ASP N . 11097 1 807 . 1 1 75 75 THR H H 1 9.708 0.030 . 1 . . . . 75 THR H . 11097 1 808 . 1 1 75 75 THR HA H 1 5.076 0.030 . 1 . . . . 75 THR HA . 11097 1 809 . 1 1 75 75 THR HB H 1 4.547 0.030 . 1 . . . . 75 THR HB . 11097 1 810 . 1 1 75 75 THR HG21 H 1 1.645 0.030 . 1 . . . . 75 THR HG2 . 11097 1 811 . 1 1 75 75 THR HG22 H 1 1.645 0.030 . 1 . . . . 75 THR HG2 . 11097 1 812 . 1 1 75 75 THR HG23 H 1 1.645 0.030 . 1 . . . . 75 THR HG2 . 11097 1 813 . 1 1 75 75 THR C C 13 172.372 0.300 . 1 . . . . 75 THR C . 11097 1 814 . 1 1 75 75 THR CA C 13 60.489 0.300 . 1 . . . . 75 THR CA . 11097 1 815 . 1 1 75 75 THR CB C 13 69.877 0.300 . 1 . . . . 75 THR CB . 11097 1 816 . 1 1 75 75 THR CG2 C 13 19.135 0.300 . 1 . . . . 75 THR CG2 . 11097 1 817 . 1 1 75 75 THR N N 15 114.886 0.300 . 1 . . . . 75 THR N . 11097 1 818 . 1 1 76 76 THR H H 1 8.401 0.030 . 1 . . . . 76 THR H . 11097 1 819 . 1 1 76 76 THR HA H 1 5.173 0.030 . 1 . . . . 76 THR HA . 11097 1 820 . 1 1 76 76 THR HB H 1 4.783 0.030 . 1 . . . . 76 THR HB . 11097 1 821 . 1 1 76 76 THR HG21 H 1 1.369 0.030 . 1 . . . . 76 THR HG2 . 11097 1 822 . 1 1 76 76 THR HG22 H 1 1.369 0.030 . 1 . . . . 76 THR HG2 . 11097 1 823 . 1 1 76 76 THR HG23 H 1 1.369 0.030 . 1 . . . . 76 THR HG2 . 11097 1 824 . 1 1 76 76 THR C C 13 176.214 0.300 . 1 . . . . 76 THR C . 11097 1 825 . 1 1 76 76 THR CA C 13 61.941 0.300 . 1 . . . . 76 THR CA . 11097 1 826 . 1 1 76 76 THR CB C 13 69.566 0.300 . 1 . . . . 76 THR CB . 11097 1 827 . 1 1 76 76 THR CG2 C 13 22.202 0.300 . 1 . . . . 76 THR CG2 . 11097 1 828 . 1 1 76 76 THR N N 15 115.246 0.300 . 1 . . . . 76 THR N . 11097 1 829 . 1 1 77 77 SER H H 1 8.788 0.030 . 1 . . . . 77 SER H . 11097 1 830 . 1 1 77 77 SER HA H 1 4.676 0.030 . 1 . . . . 77 SER HA . 11097 1 831 . 1 1 77 77 SER HB2 H 1 4.153 0.030 . 1 . . . . 77 SER HB2 . 11097 1 832 . 1 1 77 77 SER HB3 H 1 4.153 0.030 . 1 . . . . 77 SER HB3 . 11097 1 833 . 1 1 77 77 SER C C 13 169.657 0.300 . 1 . . . . 77 SER C . 11097 1 834 . 1 1 77 77 SER CA C 13 58.617 0.300 . 1 . . . . 77 SER CA . 11097 1 835 . 1 1 77 77 SER CB C 13 64.472 0.300 . 1 . . . . 77 SER CB . 11097 1 836 . 1 1 77 77 SER N N 15 121.895 0.300 . 1 . . . . 77 SER N . 11097 1 837 . 1 1 78 78 LEU H H 1 7.459 0.030 . 1 . . . . 78 LEU H . 11097 1 838 . 1 1 78 78 LEU HA H 1 3.465 0.030 . 1 . . . . 78 LEU HA . 11097 1 839 . 1 1 78 78 LEU HB2 H 1 1.503 0.030 . 2 . . . . 78 LEU HB2 . 11097 1 840 . 1 1 78 78 LEU HB3 H 1 0.997 0.030 . 2 . . . . 78 LEU HB3 . 11097 1 841 . 1 1 78 78 LEU HD11 H 1 0.897 0.030 . 1 . . . . 78 LEU HD1 . 11097 1 842 . 1 1 78 78 LEU HD12 H 1 0.897 0.030 . 1 . . . . 78 LEU HD1 . 11097 1 843 . 1 1 78 78 LEU HD13 H 1 0.897 0.030 . 1 . . . . 78 LEU HD1 . 11097 1 844 . 1 1 78 78 LEU HD21 H 1 0.622 0.030 . 1 . . . . 78 LEU HD2 . 11097 1 845 . 1 1 78 78 LEU HD22 H 1 0.622 0.030 . 1 . . . . 78 LEU HD2 . 11097 1 846 . 1 1 78 78 LEU HD23 H 1 0.622 0.030 . 1 . . . . 78 LEU HD2 . 11097 1 847 . 1 1 78 78 LEU HG H 1 1.408 0.030 . 1 . . . . 78 LEU HG . 11097 1 848 . 1 1 78 78 LEU C C 13 174.477 0.300 . 1 . . . . 78 LEU C . 11097 1 849 . 1 1 78 78 LEU CA C 13 54.137 0.300 . 1 . . . . 78 LEU CA . 11097 1 850 . 1 1 78 78 LEU CB C 13 39.812 0.300 . 1 . . . . 78 LEU CB . 11097 1 851 . 1 1 78 78 LEU CD1 C 13 25.856 0.300 . 2 . . . . 78 LEU CD1 . 11097 1 852 . 1 1 78 78 LEU CD2 C 13 23.788 0.300 . 2 . . . . 78 LEU CD2 . 11097 1 853 . 1 1 78 78 LEU CG C 13 27.690 0.300 . 1 . . . . 78 LEU CG . 11097 1 854 . 1 1 78 78 LEU N N 15 116.131 0.300 . 1 . . . . 78 LEU N . 11097 1 855 . 1 1 79 79 SER H H 1 6.719 0.030 . 1 . . . . 79 SER H . 11097 1 856 . 1 1 79 79 SER HA H 1 4.305 0.030 . 1 . . . . 79 SER HA . 11097 1 857 . 1 1 79 79 SER HB2 H 1 3.410 0.030 . 2 . . . . 79 SER HB2 . 11097 1 858 . 1 1 79 79 SER HB3 H 1 3.344 0.030 . 2 . . . . 79 SER HB3 . 11097 1 859 . 1 1 79 79 SER C C 13 172.858 0.300 . 1 . . . . 79 SER C . 11097 1 860 . 1 1 79 79 SER CA C 13 56.483 0.300 . 1 . . . . 79 SER CA . 11097 1 861 . 1 1 79 79 SER CB C 13 65.772 0.300 . 1 . . . . 79 SER CB . 11097 1 862 . 1 1 79 79 SER N N 15 108.240 0.300 . 1 . . . . 79 SER N . 11097 1 863 . 1 1 80 80 TYR H H 1 9.271 0.030 . 1 . . . . 80 TYR H . 11097 1 864 . 1 1 80 80 TYR HA H 1 4.503 0.030 . 1 . . . . 80 TYR HA . 11097 1 865 . 1 1 80 80 TYR HB2 H 1 3.459 0.030 . 2 . . . . 80 TYR HB2 . 11097 1 866 . 1 1 80 80 TYR HB3 H 1 2.656 0.030 . 2 . . . . 80 TYR HB3 . 11097 1 867 . 1 1 80 80 TYR HD1 H 1 6.897 0.030 . 1 . . . . 80 TYR HD1 . 11097 1 868 . 1 1 80 80 TYR HD2 H 1 6.897 0.030 . 1 . . . . 80 TYR HD2 . 11097 1 869 . 1 1 80 80 TYR HE1 H 1 6.657 0.030 . 1 . . . . 80 TYR HE1 . 11097 1 870 . 1 1 80 80 TYR HE2 H 1 6.657 0.030 . 1 . . . . 80 TYR HE2 . 11097 1 871 . 1 1 80 80 TYR C C 13 173.030 0.300 . 1 . . . . 80 TYR C . 11097 1 872 . 1 1 80 80 TYR CA C 13 58.960 0.300 . 1 . . . . 80 TYR CA . 11097 1 873 . 1 1 80 80 TYR CB C 13 44.103 0.300 . 1 . . . . 80 TYR CB . 11097 1 874 . 1 1 80 80 TYR CD1 C 13 131.724 0.300 . 1 . . . . 80 TYR CD1 . 11097 1 875 . 1 1 80 80 TYR CD2 C 13 131.724 0.300 . 1 . . . . 80 TYR CD2 . 11097 1 876 . 1 1 80 80 TYR CE1 C 13 118.649 0.300 . 1 . . . . 80 TYR CE1 . 11097 1 877 . 1 1 80 80 TYR CE2 C 13 118.649 0.300 . 1 . . . . 80 TYR CE2 . 11097 1 878 . 1 1 80 80 TYR N N 15 121.850 0.300 . 1 . . . . 80 TYR N . 11097 1 879 . 1 1 81 81 THR H H 1 7.527 0.030 . 1 . . . . 81 THR H . 11097 1 880 . 1 1 81 81 THR HA H 1 4.615 0.030 . 1 . . . . 81 THR HA . 11097 1 881 . 1 1 81 81 THR HB H 1 3.568 0.030 . 1 . . . . 81 THR HB . 11097 1 882 . 1 1 81 81 THR HG21 H 1 0.632 0.030 . 1 . . . . 81 THR HG2 . 11097 1 883 . 1 1 81 81 THR HG22 H 1 0.632 0.030 . 1 . . . . 81 THR HG2 . 11097 1 884 . 1 1 81 81 THR HG23 H 1 0.632 0.030 . 1 . . . . 81 THR HG2 . 11097 1 885 . 1 1 81 81 THR C C 13 171.502 0.300 . 1 . . . . 81 THR C . 11097 1 886 . 1 1 81 81 THR CA C 13 61.183 0.300 . 1 . . . . 81 THR CA . 11097 1 887 . 1 1 81 81 THR CB C 13 68.911 0.300 . 1 . . . . 81 THR CB . 11097 1 888 . 1 1 81 81 THR CG2 C 13 21.392 0.300 . 1 . . . . 81 THR CG2 . 11097 1 889 . 1 1 81 81 THR N N 15 125.036 0.300 . 1 . . . . 81 THR N . 11097 1 890 . 1 1 82 82 ALA H H 1 8.400 0.030 . 1 . . . . 82 ALA H . 11097 1 891 . 1 1 82 82 ALA HA H 1 4.041 0.030 . 1 . . . . 82 ALA HA . 11097 1 892 . 1 1 82 82 ALA HB1 H 1 0.295 0.030 . 1 . . . . 82 ALA HB . 11097 1 893 . 1 1 82 82 ALA HB2 H 1 0.295 0.030 . 1 . . . . 82 ALA HB . 11097 1 894 . 1 1 82 82 ALA HB3 H 1 0.295 0.030 . 1 . . . . 82 ALA HB . 11097 1 895 . 1 1 82 82 ALA C C 13 175.684 0.300 . 1 . . . . 82 ALA C . 11097 1 896 . 1 1 82 82 ALA CA C 13 50.700 0.300 . 1 . . . . 82 ALA CA . 11097 1 897 . 1 1 82 82 ALA CB C 13 18.116 0.300 . 1 . . . . 82 ALA CB . 11097 1 898 . 1 1 82 82 ALA N N 15 131.674 0.300 . 1 . . . . 82 ALA N . 11097 1 899 . 1 1 83 83 THR H H 1 7.955 0.030 . 1 . . . . 83 THR H . 11097 1 900 . 1 1 83 83 THR HA H 1 5.094 0.030 . 1 . . . . 83 THR HA . 11097 1 901 . 1 1 83 83 THR HB H 1 4.304 0.030 . 1 . . . . 83 THR HB . 11097 1 902 . 1 1 83 83 THR HG21 H 1 0.934 0.030 . 1 . . . . 83 THR HG2 . 11097 1 903 . 1 1 83 83 THR HG22 H 1 0.934 0.030 . 1 . . . . 83 THR HG2 . 11097 1 904 . 1 1 83 83 THR HG23 H 1 0.934 0.030 . 1 . . . . 83 THR HG2 . 11097 1 905 . 1 1 83 83 THR C C 13 174.674 0.300 . 1 . . . . 83 THR C . 11097 1 906 . 1 1 83 83 THR CA C 13 59.836 0.300 . 1 . . . . 83 THR CA . 11097 1 907 . 1 1 83 83 THR CB C 13 71.154 0.300 . 1 . . . . 83 THR CB . 11097 1 908 . 1 1 83 83 THR CG2 C 13 21.489 0.300 . 1 . . . . 83 THR CG2 . 11097 1 909 . 1 1 83 83 THR N N 15 111.202 0.300 . 1 . . . . 83 THR N . 11097 1 910 . 1 1 84 84 GLY H H 1 8.356 0.030 . 1 . . . . 84 GLY H . 11097 1 911 . 1 1 84 84 GLY HA2 H 1 4.006 0.030 . 2 . . . . 84 GLY HA2 . 11097 1 912 . 1 1 84 84 GLY HA3 H 1 3.920 0.030 . 2 . . . . 84 GLY HA3 . 11097 1 913 . 1 1 84 84 GLY C C 13 175.525 0.300 . 1 . . . . 84 GLY C . 11097 1 914 . 1 1 84 84 GLY CA C 13 46.333 0.300 . 1 . . . . 84 GLY CA . 11097 1 915 . 1 1 84 84 GLY N N 15 107.094 0.300 . 1 . . . . 84 GLY N . 11097 1 916 . 1 1 85 85 LEU H H 1 8.210 0.030 . 1 . . . . 85 LEU H . 11097 1 917 . 1 1 85 85 LEU HA H 1 4.171 0.030 . 1 . . . . 85 LEU HA . 11097 1 918 . 1 1 85 85 LEU HB2 H 1 1.328 0.030 . 2 . . . . 85 LEU HB2 . 11097 1 919 . 1 1 85 85 LEU HB3 H 1 0.981 0.030 . 2 . . . . 85 LEU HB3 . 11097 1 920 . 1 1 85 85 LEU HD11 H 1 0.026 0.030 . 1 . . . . 85 LEU HD1 . 11097 1 921 . 1 1 85 85 LEU HD12 H 1 0.026 0.030 . 1 . . . . 85 LEU HD1 . 11097 1 922 . 1 1 85 85 LEU HD13 H 1 0.026 0.030 . 1 . . . . 85 LEU HD1 . 11097 1 923 . 1 1 85 85 LEU HD21 H 1 -0.098 0.030 . 1 . . . . 85 LEU HD2 . 11097 1 924 . 1 1 85 85 LEU HD22 H 1 -0.098 0.030 . 1 . . . . 85 LEU HD2 . 11097 1 925 . 1 1 85 85 LEU HD23 H 1 -0.098 0.030 . 1 . . . . 85 LEU HD2 . 11097 1 926 . 1 1 85 85 LEU HG H 1 0.952 0.030 . 1 . . . . 85 LEU HG . 11097 1 927 . 1 1 85 85 LEU C C 13 175.242 0.300 . 1 . . . . 85 LEU C . 11097 1 928 . 1 1 85 85 LEU CA C 13 53.590 0.300 . 1 . . . . 85 LEU CA . 11097 1 929 . 1 1 85 85 LEU CB C 13 40.662 0.300 . 1 . . . . 85 LEU CB . 11097 1 930 . 1 1 85 85 LEU CD1 C 13 26.147 0.300 . 2 . . . . 85 LEU CD1 . 11097 1 931 . 1 1 85 85 LEU CD2 C 13 20.067 0.300 . 2 . . . . 85 LEU CD2 . 11097 1 932 . 1 1 85 85 LEU CG C 13 26.159 0.300 . 1 . . . . 85 LEU CG . 11097 1 933 . 1 1 85 85 LEU N N 15 119.765 0.300 . 1 . . . . 85 LEU N . 11097 1 934 . 1 1 86 86 LYS H H 1 8.487 0.030 . 1 . . . . 86 LYS H . 11097 1 935 . 1 1 86 86 LYS HA H 1 4.692 0.030 . 1 . . . . 86 LYS HA . 11097 1 936 . 1 1 86 86 LYS HB2 H 1 1.888 0.030 . 1 . . . . 86 LYS HB2 . 11097 1 937 . 1 1 86 86 LYS HB3 H 1 1.888 0.030 . 1 . . . . 86 LYS HB3 . 11097 1 938 . 1 1 86 86 LYS HD2 H 1 1.752 0.030 . 1 . . . . 86 LYS HD2 . 11097 1 939 . 1 1 86 86 LYS HD3 H 1 1.752 0.030 . 1 . . . . 86 LYS HD3 . 11097 1 940 . 1 1 86 86 LYS HE2 H 1 3.061 0.030 . 1 . . . . 86 LYS HE2 . 11097 1 941 . 1 1 86 86 LYS HE3 H 1 3.061 0.030 . 1 . . . . 86 LYS HE3 . 11097 1 942 . 1 1 86 86 LYS HG2 H 1 1.683 0.030 . 2 . . . . 86 LYS HG2 . 11097 1 943 . 1 1 86 86 LYS HG3 H 1 1.610 0.030 . 2 . . . . 86 LYS HG3 . 11097 1 944 . 1 1 86 86 LYS C C 13 175.024 0.300 . 1 . . . . 86 LYS C . 11097 1 945 . 1 1 86 86 LYS CA C 13 53.936 0.300 . 1 . . . . 86 LYS CA . 11097 1 946 . 1 1 86 86 LYS CB C 13 33.099 0.300 . 1 . . . . 86 LYS CB . 11097 1 947 . 1 1 86 86 LYS CD C 13 29.274 0.300 . 1 . . . . 86 LYS CD . 11097 1 948 . 1 1 86 86 LYS CE C 13 42.245 0.300 . 1 . . . . 86 LYS CE . 11097 1 949 . 1 1 86 86 LYS CG C 13 25.022 0.300 . 1 . . . . 86 LYS CG . 11097 1 950 . 1 1 86 86 LYS N N 15 120.388 0.300 . 1 . . . . 86 LYS N . 11097 1 951 . 1 1 87 87 PRO HA H 1 5.394 0.030 . 1 . . . . 87 PRO HA . 11097 1 952 . 1 1 87 87 PRO HB2 H 1 2.639 0.030 . 2 . . . . 87 PRO HB2 . 11097 1 953 . 1 1 87 87 PRO HB3 H 1 2.078 0.030 . 2 . . . . 87 PRO HB3 . 11097 1 954 . 1 1 87 87 PRO HD2 H 1 4.130 0.030 . 2 . . . . 87 PRO HD2 . 11097 1 955 . 1 1 87 87 PRO HD3 H 1 3.673 0.030 . 2 . . . . 87 PRO HD3 . 11097 1 956 . 1 1 87 87 PRO HG2 H 1 2.161 0.030 . 1 . . . . 87 PRO HG2 . 11097 1 957 . 1 1 87 87 PRO HG3 H 1 2.161 0.030 . 1 . . . . 87 PRO HG3 . 11097 1 958 . 1 1 87 87 PRO C C 13 178.610 0.300 . 1 . . . . 87 PRO C . 11097 1 959 . 1 1 87 87 PRO CA C 13 62.915 0.300 . 1 . . . . 87 PRO CA . 11097 1 960 . 1 1 87 87 PRO CB C 13 33.462 0.300 . 1 . . . . 87 PRO CB . 11097 1 961 . 1 1 87 87 PRO CD C 13 51.048 0.300 . 1 . . . . 87 PRO CD . 11097 1 962 . 1 1 87 87 PRO CG C 13 27.538 0.300 . 1 . . . . 87 PRO CG . 11097 1 963 . 1 1 88 88 ASN H H 1 7.792 0.030 . 1 . . . . 88 ASN H . 11097 1 964 . 1 1 88 88 ASN HA H 1 4.479 0.030 . 1 . . . . 88 ASN HA . 11097 1 965 . 1 1 88 88 ASN HB2 H 1 3.166 0.030 . 2 . . . . 88 ASN HB2 . 11097 1 966 . 1 1 88 88 ASN HB3 H 1 2.156 0.030 . 2 . . . . 88 ASN HB3 . 11097 1 967 . 1 1 88 88 ASN HD21 H 1 7.508 0.030 . 2 . . . . 88 ASN HD21 . 11097 1 968 . 1 1 88 88 ASN HD22 H 1 6.743 0.030 . 2 . . . . 88 ASN HD22 . 11097 1 969 . 1 1 88 88 ASN C C 13 174.361 0.300 . 1 . . . . 88 ASN C . 11097 1 970 . 1 1 88 88 ASN CA C 13 53.097 0.300 . 1 . . . . 88 ASN CA . 11097 1 971 . 1 1 88 88 ASN CB C 13 39.029 0.300 . 1 . . . . 88 ASN CB . 11097 1 972 . 1 1 88 88 ASN N N 15 125.222 0.300 . 1 . . . . 88 ASN N . 11097 1 973 . 1 1 88 88 ASN ND2 N 15 110.203 0.300 . 1 . . . . 88 ASN ND2 . 11097 1 974 . 1 1 89 89 THR H H 1 8.271 0.030 . 1 . . . . 89 THR H . 11097 1 975 . 1 1 89 89 THR HA H 1 4.410 0.030 . 1 . . . . 89 THR HA . 11097 1 976 . 1 1 89 89 THR HB H 1 3.940 0.030 . 1 . . . . 89 THR HB . 11097 1 977 . 1 1 89 89 THR HG21 H 1 0.712 0.030 . 1 . . . . 89 THR HG2 . 11097 1 978 . 1 1 89 89 THR HG22 H 1 0.712 0.030 . 1 . . . . 89 THR HG2 . 11097 1 979 . 1 1 89 89 THR HG23 H 1 0.712 0.030 . 1 . . . . 89 THR HG2 . 11097 1 980 . 1 1 89 89 THR C C 13 171.200 0.300 . 1 . . . . 89 THR C . 11097 1 981 . 1 1 89 89 THR CA C 13 62.905 0.300 . 1 . . . . 89 THR CA . 11097 1 982 . 1 1 89 89 THR CB C 13 71.990 0.300 . 1 . . . . 89 THR CB . 11097 1 983 . 1 1 89 89 THR CG2 C 13 20.602 0.300 . 1 . . . . 89 THR CG2 . 11097 1 984 . 1 1 89 89 THR N N 15 114.246 0.300 . 1 . . . . 89 THR N . 11097 1 985 . 1 1 90 90 MET H H 1 8.416 0.030 . 1 . . . . 90 MET H . 11097 1 986 . 1 1 90 90 MET HA H 1 4.949 0.030 . 1 . . . . 90 MET HA . 11097 1 987 . 1 1 90 90 MET HB2 H 1 2.021 0.030 . 2 . . . . 90 MET HB2 . 11097 1 988 . 1 1 90 90 MET HB3 H 1 1.908 0.030 . 2 . . . . 90 MET HB3 . 11097 1 989 . 1 1 90 90 MET HE1 H 1 1.967 0.030 . 1 . . . . 90 MET HE . 11097 1 990 . 1 1 90 90 MET HE2 H 1 1.967 0.030 . 1 . . . . 90 MET HE . 11097 1 991 . 1 1 90 90 MET HE3 H 1 1.967 0.030 . 1 . . . . 90 MET HE . 11097 1 992 . 1 1 90 90 MET HG2 H 1 2.727 0.030 . 2 . . . . 90 MET HG2 . 11097 1 993 . 1 1 90 90 MET HG3 H 1 2.401 0.030 . 2 . . . . 90 MET HG3 . 11097 1 994 . 1 1 90 90 MET C C 13 175.150 0.300 . 1 . . . . 90 MET C . 11097 1 995 . 1 1 90 90 MET CA C 13 55.648 0.300 . 1 . . . . 90 MET CA . 11097 1 996 . 1 1 90 90 MET CB C 13 34.409 0.300 . 1 . . . . 90 MET CB . 11097 1 997 . 1 1 90 90 MET CE C 13 16.746 0.300 . 1 . . . . 90 MET CE . 11097 1 998 . 1 1 90 90 MET CG C 13 31.256 0.300 . 1 . . . . 90 MET CG . 11097 1 999 . 1 1 90 90 MET N N 15 127.311 0.300 . 1 . . . . 90 MET N . 11097 1 1000 . 1 1 91 91 TYR H H 1 9.373 0.030 . 1 . . . . 91 TYR H . 11097 1 1001 . 1 1 91 91 TYR HA H 1 4.765 0.030 . 1 . . . . 91 TYR HA . 11097 1 1002 . 1 1 91 91 TYR HB2 H 1 2.698 0.030 . 2 . . . . 91 TYR HB2 . 11097 1 1003 . 1 1 91 91 TYR HB3 H 1 2.279 0.030 . 2 . . . . 91 TYR HB3 . 11097 1 1004 . 1 1 91 91 TYR HE1 H 1 6.930 0.030 . 1 . . . . 91 TYR HE1 . 11097 1 1005 . 1 1 91 91 TYR HE2 H 1 6.930 0.030 . 1 . . . . 91 TYR HE2 . 11097 1 1006 . 1 1 91 91 TYR C C 13 173.105 0.300 . 1 . . . . 91 TYR C . 11097 1 1007 . 1 1 91 91 TYR CA C 13 58.383 0.300 . 1 . . . . 91 TYR CA . 11097 1 1008 . 1 1 91 91 TYR CB C 13 45.255 0.300 . 1 . . . . 91 TYR CB . 11097 1 1009 . 1 1 91 91 TYR CE1 C 13 118.959 0.300 . 1 . . . . 91 TYR CE1 . 11097 1 1010 . 1 1 91 91 TYR CE2 C 13 118.959 0.300 . 1 . . . . 91 TYR CE2 . 11097 1 1011 . 1 1 91 91 TYR N N 15 128.081 0.300 . 1 . . . . 91 TYR N . 11097 1 1012 . 1 1 92 92 GLU H H 1 8.444 0.030 . 1 . . . . 92 GLU H . 11097 1 1013 . 1 1 92 92 GLU HA H 1 4.741 0.030 . 1 . . . . 92 GLU HA . 11097 1 1014 . 1 1 92 92 GLU HB2 H 1 1.791 0.030 . 2 . . . . 92 GLU HB2 . 11097 1 1015 . 1 1 92 92 GLU HB3 H 1 1.609 0.030 . 2 . . . . 92 GLU HB3 . 11097 1 1016 . 1 1 92 92 GLU HG2 H 1 1.953 0.030 . 2 . . . . 92 GLU HG2 . 11097 1 1017 . 1 1 92 92 GLU HG3 H 1 1.872 0.030 . 2 . . . . 92 GLU HG3 . 11097 1 1018 . 1 1 92 92 GLU C C 13 174.957 0.300 . 1 . . . . 92 GLU C . 11097 1 1019 . 1 1 92 92 GLU CA C 13 53.321 0.300 . 1 . . . . 92 GLU CA . 11097 1 1020 . 1 1 92 92 GLU CB C 13 33.021 0.300 . 1 . . . . 92 GLU CB . 11097 1 1021 . 1 1 92 92 GLU CG C 13 36.415 0.300 . 1 . . . . 92 GLU CG . 11097 1 1022 . 1 1 92 92 GLU N N 15 116.576 0.300 . 1 . . . . 92 GLU N . 11097 1 1023 . 1 1 93 93 PHE H H 1 9.181 0.030 . 1 . . . . 93 PHE H . 11097 1 1024 . 1 1 93 93 PHE HA H 1 5.828 0.030 . 1 . . . . 93 PHE HA . 11097 1 1025 . 1 1 93 93 PHE HB2 H 1 2.872 0.030 . 2 . . . . 93 PHE HB2 . 11097 1 1026 . 1 1 93 93 PHE HB3 H 1 2.794 0.030 . 2 . . . . 93 PHE HB3 . 11097 1 1027 . 1 1 93 93 PHE HD1 H 1 7.105 0.030 . 1 . . . . 93 PHE HD1 . 11097 1 1028 . 1 1 93 93 PHE HD2 H 1 7.105 0.030 . 1 . . . . 93 PHE HD2 . 11097 1 1029 . 1 1 93 93 PHE HE1 H 1 6.591 0.030 . 1 . . . . 93 PHE HE1 . 11097 1 1030 . 1 1 93 93 PHE HE2 H 1 6.591 0.030 . 1 . . . . 93 PHE HE2 . 11097 1 1031 . 1 1 93 93 PHE HZ H 1 6.293 0.030 . 1 . . . . 93 PHE HZ . 11097 1 1032 . 1 1 93 93 PHE C C 13 175.105 0.300 . 1 . . . . 93 PHE C . 11097 1 1033 . 1 1 93 93 PHE CA C 13 56.857 0.300 . 1 . . . . 93 PHE CA . 11097 1 1034 . 1 1 93 93 PHE CB C 13 43.718 0.300 . 1 . . . . 93 PHE CB . 11097 1 1035 . 1 1 93 93 PHE CD1 C 13 132.968 0.300 . 1 . . . . 93 PHE CD1 . 11097 1 1036 . 1 1 93 93 PHE CD2 C 13 132.968 0.300 . 1 . . . . 93 PHE CD2 . 11097 1 1037 . 1 1 93 93 PHE CE1 C 13 130.855 0.300 . 1 . . . . 93 PHE CE1 . 11097 1 1038 . 1 1 93 93 PHE CE2 C 13 130.855 0.300 . 1 . . . . 93 PHE CE2 . 11097 1 1039 . 1 1 93 93 PHE CZ C 13 127.914 0.300 . 1 . . . . 93 PHE CZ . 11097 1 1040 . 1 1 93 93 PHE N N 15 121.920 0.300 . 1 . . . . 93 PHE N . 11097 1 1041 . 1 1 94 94 SER H H 1 8.711 0.030 . 1 . . . . 94 SER H . 11097 1 1042 . 1 1 94 94 SER HA H 1 4.490 0.030 . 1 . . . . 94 SER HA . 11097 1 1043 . 1 1 94 94 SER HB2 H 1 4.040 0.030 . 2 . . . . 94 SER HB2 . 11097 1 1044 . 1 1 94 94 SER HB3 H 1 3.962 0.030 . 2 . . . . 94 SER HB3 . 11097 1 1045 . 1 1 94 94 SER C C 13 172.824 0.300 . 1 . . . . 94 SER C . 11097 1 1046 . 1 1 94 94 SER CA C 13 58.261 0.300 . 1 . . . . 94 SER CA . 11097 1 1047 . 1 1 94 94 SER CB C 13 65.653 0.300 . 1 . . . . 94 SER CB . 11097 1 1048 . 1 1 94 94 SER N N 15 109.824 0.300 . 1 . . . . 94 SER N . 11097 1 1049 . 1 1 95 95 VAL H H 1 9.030 0.030 . 1 . . . . 95 VAL H . 11097 1 1050 . 1 1 95 95 VAL HA H 1 5.677 0.030 . 1 . . . . 95 VAL HA . 11097 1 1051 . 1 1 95 95 VAL HB H 1 1.138 0.030 . 1 . . . . 95 VAL HB . 11097 1 1052 . 1 1 95 95 VAL HG11 H 1 -0.140 0.030 . 1 . . . . 95 VAL HG1 . 11097 1 1053 . 1 1 95 95 VAL HG12 H 1 -0.140 0.030 . 1 . . . . 95 VAL HG1 . 11097 1 1054 . 1 1 95 95 VAL HG13 H 1 -0.140 0.030 . 1 . . . . 95 VAL HG1 . 11097 1 1055 . 1 1 95 95 VAL HG21 H 1 0.257 0.030 . 1 . . . . 95 VAL HG2 . 11097 1 1056 . 1 1 95 95 VAL HG22 H 1 0.257 0.030 . 1 . . . . 95 VAL HG2 . 11097 1 1057 . 1 1 95 95 VAL HG23 H 1 0.257 0.030 . 1 . . . . 95 VAL HG2 . 11097 1 1058 . 1 1 95 95 VAL C C 13 174.069 0.300 . 1 . . . . 95 VAL C . 11097 1 1059 . 1 1 95 95 VAL CA C 13 60.635 0.300 . 1 . . . . 95 VAL CA . 11097 1 1060 . 1 1 95 95 VAL CB C 13 36.510 0.300 . 1 . . . . 95 VAL CB . 11097 1 1061 . 1 1 95 95 VAL CG1 C 13 20.060 0.300 . 2 . . . . 95 VAL CG1 . 11097 1 1062 . 1 1 95 95 VAL CG2 C 13 21.278 0.300 . 2 . . . . 95 VAL CG2 . 11097 1 1063 . 1 1 95 95 VAL N N 15 118.209 0.300 . 1 . . . . 95 VAL N . 11097 1 1064 . 1 1 96 96 MET H H 1 8.679 0.030 . 1 . . . . 96 MET H . 11097 1 1065 . 1 1 96 96 MET HA H 1 4.474 0.030 . 1 . . . . 96 MET HA . 11097 1 1066 . 1 1 96 96 MET HB2 H 1 0.950 0.030 . 2 . . . . 96 MET HB2 . 11097 1 1067 . 1 1 96 96 MET HB3 H 1 0.416 0.030 . 2 . . . . 96 MET HB3 . 11097 1 1068 . 1 1 96 96 MET HE1 H 1 1.478 0.030 . 1 . . . . 96 MET HE . 11097 1 1069 . 1 1 96 96 MET HE2 H 1 1.478 0.030 . 1 . . . . 96 MET HE . 11097 1 1070 . 1 1 96 96 MET HE3 H 1 1.478 0.030 . 1 . . . . 96 MET HE . 11097 1 1071 . 1 1 96 96 MET HG2 H 1 1.595 0.030 . 2 . . . . 96 MET HG2 . 11097 1 1072 . 1 1 96 96 MET HG3 H 1 1.301 0.030 . 2 . . . . 96 MET HG3 . 11097 1 1073 . 1 1 96 96 MET C C 13 172.848 0.300 . 1 . . . . 96 MET C . 11097 1 1074 . 1 1 96 96 MET CA C 13 54.004 0.300 . 1 . . . . 96 MET CA . 11097 1 1075 . 1 1 96 96 MET CB C 13 35.742 0.300 . 1 . . . . 96 MET CB . 11097 1 1076 . 1 1 96 96 MET CE C 13 16.570 0.300 . 1 . . . . 96 MET CE . 11097 1 1077 . 1 1 96 96 MET CG C 13 29.986 0.300 . 1 . . . . 96 MET CG . 11097 1 1078 . 1 1 96 96 MET N N 15 124.994 0.300 . 1 . . . . 96 MET N . 11097 1 1079 . 1 1 97 97 VAL H H 1 8.234 0.030 . 1 . . . . 97 VAL H . 11097 1 1080 . 1 1 97 97 VAL HA H 1 4.959 0.030 . 1 . . . . 97 VAL HA . 11097 1 1081 . 1 1 97 97 VAL HB H 1 1.775 0.030 . 1 . . . . 97 VAL HB . 11097 1 1082 . 1 1 97 97 VAL HG11 H 1 0.439 0.030 . 1 . . . . 97 VAL HG1 . 11097 1 1083 . 1 1 97 97 VAL HG12 H 1 0.439 0.030 . 1 . . . . 97 VAL HG1 . 11097 1 1084 . 1 1 97 97 VAL HG13 H 1 0.439 0.030 . 1 . . . . 97 VAL HG1 . 11097 1 1085 . 1 1 97 97 VAL HG21 H 1 0.925 0.030 . 1 . . . . 97 VAL HG2 . 11097 1 1086 . 1 1 97 97 VAL HG22 H 1 0.925 0.030 . 1 . . . . 97 VAL HG2 . 11097 1 1087 . 1 1 97 97 VAL HG23 H 1 0.925 0.030 . 1 . . . . 97 VAL HG2 . 11097 1 1088 . 1 1 97 97 VAL C C 13 171.420 0.300 . 1 . . . . 97 VAL C . 11097 1 1089 . 1 1 97 97 VAL CA C 13 58.990 0.300 . 1 . . . . 97 VAL CA . 11097 1 1090 . 1 1 97 97 VAL CB C 13 36.140 0.300 . 1 . . . . 97 VAL CB . 11097 1 1091 . 1 1 97 97 VAL CG1 C 13 23.228 0.300 . 2 . . . . 97 VAL CG1 . 11097 1 1092 . 1 1 97 97 VAL CG2 C 13 18.484 0.300 . 2 . . . . 97 VAL CG2 . 11097 1 1093 . 1 1 97 97 VAL N N 15 119.436 0.300 . 1 . . . . 97 VAL N . 11097 1 1094 . 1 1 98 98 THR H H 1 8.440 0.030 . 1 . . . . 98 THR H . 11097 1 1095 . 1 1 98 98 THR HA H 1 4.976 0.030 . 1 . . . . 98 THR HA . 11097 1 1096 . 1 1 98 98 THR HB H 1 3.654 0.030 . 1 . . . . 98 THR HB . 11097 1 1097 . 1 1 98 98 THR HG21 H 1 0.908 0.030 . 1 . . . . 98 THR HG2 . 11097 1 1098 . 1 1 98 98 THR HG22 H 1 0.908 0.030 . 1 . . . . 98 THR HG2 . 11097 1 1099 . 1 1 98 98 THR HG23 H 1 0.908 0.030 . 1 . . . . 98 THR HG2 . 11097 1 1100 . 1 1 98 98 THR C C 13 173.364 0.300 . 1 . . . . 98 THR C . 11097 1 1101 . 1 1 98 98 THR CA C 13 61.539 0.300 . 1 . . . . 98 THR CA . 11097 1 1102 . 1 1 98 98 THR CB C 13 71.244 0.300 . 1 . . . . 98 THR CB . 11097 1 1103 . 1 1 98 98 THR CG2 C 13 20.256 0.300 . 1 . . . . 98 THR CG2 . 11097 1 1104 . 1 1 98 98 THR N N 15 122.446 0.300 . 1 . . . . 98 THR N . 11097 1 1105 . 1 1 99 99 LYS H H 1 8.916 0.030 . 1 . . . . 99 LYS H . 11097 1 1106 . 1 1 99 99 LYS HA H 1 4.573 0.030 . 1 . . . . 99 LYS HA . 11097 1 1107 . 1 1 99 99 LYS HB2 H 1 1.415 0.030 . 2 . . . . 99 LYS HB2 . 11097 1 1108 . 1 1 99 99 LYS HB3 H 1 1.755 0.030 . 2 . . . . 99 LYS HB3 . 11097 1 1109 . 1 1 99 99 LYS HD2 H 1 1.608 0.030 . 2 . . . . 99 LYS HD2 . 11097 1 1110 . 1 1 99 99 LYS HD3 H 1 1.484 0.030 . 2 . . . . 99 LYS HD3 . 11097 1 1111 . 1 1 99 99 LYS HE2 H 1 2.898 0.030 . 1 . . . . 99 LYS HE2 . 11097 1 1112 . 1 1 99 99 LYS HE3 H 1 2.898 0.030 . 1 . . . . 99 LYS HE3 . 11097 1 1113 . 1 1 99 99 LYS HG2 H 1 1.135 0.030 . 2 . . . . 99 LYS HG2 . 11097 1 1114 . 1 1 99 99 LYS HG3 H 1 1.351 0.030 . 2 . . . . 99 LYS HG3 . 11097 1 1115 . 1 1 99 99 LYS C C 13 175.526 0.300 . 1 . . . . 99 LYS C . 11097 1 1116 . 1 1 99 99 LYS CA C 13 55.577 0.300 . 1 . . . . 99 LYS CA . 11097 1 1117 . 1 1 99 99 LYS CB C 13 35.324 0.300 . 1 . . . . 99 LYS CB . 11097 1 1118 . 1 1 99 99 LYS CD C 13 29.585 0.300 . 1 . . . . 99 LYS CD . 11097 1 1119 . 1 1 99 99 LYS CE C 13 41.914 0.300 . 1 . . . . 99 LYS CE . 11097 1 1120 . 1 1 99 99 LYS CG C 13 24.513 0.300 . 1 . . . . 99 LYS CG . 11097 1 1121 . 1 1 99 99 LYS N N 15 126.738 0.300 . 1 . . . . 99 LYS N . 11097 1 1122 . 1 1 100 100 ASN H H 1 9.671 0.030 . 1 . . . . 100 ASN H . 11097 1 1123 . 1 1 100 100 ASN HA H 1 4.272 0.030 . 1 . . . . 100 ASN HA . 11097 1 1124 . 1 1 100 100 ASN HB2 H 1 3.051 0.030 . 2 . . . . 100 ASN HB2 . 11097 1 1125 . 1 1 100 100 ASN HB3 H 1 2.739 0.030 . 2 . . . . 100 ASN HB3 . 11097 1 1126 . 1 1 100 100 ASN HD21 H 1 6.983 0.030 . 2 . . . . 100 ASN HD21 . 11097 1 1127 . 1 1 100 100 ASN HD22 H 1 7.626 0.030 . 2 . . . . 100 ASN HD22 . 11097 1 1128 . 1 1 100 100 ASN C C 13 174.025 0.300 . 1 . . . . 100 ASN C . 11097 1 1129 . 1 1 100 100 ASN CA C 13 54.769 0.300 . 1 . . . . 100 ASN CA . 11097 1 1130 . 1 1 100 100 ASN CB C 13 37.269 0.300 . 1 . . . . 100 ASN CB . 11097 1 1131 . 1 1 100 100 ASN ND2 N 15 112.205 0.300 . 1 . . . . 100 ASN ND2 . 11097 1 1132 . 1 1 101 101 ARG H H 1 8.651 0.030 . 1 . . . . 101 ARG H . 11097 1 1133 . 1 1 101 101 ARG HA H 1 3.731 0.030 . 1 . . . . 101 ARG HA . 11097 1 1134 . 1 1 101 101 ARG HB2 H 1 2.017 0.030 . 1 . . . . 101 ARG HB2 . 11097 1 1135 . 1 1 101 101 ARG HB3 H 1 2.017 0.030 . 1 . . . . 101 ARG HB3 . 11097 1 1136 . 1 1 101 101 ARG HD2 H 1 3.152 0.030 . 1 . . . . 101 ARG HD2 . 11097 1 1137 . 1 1 101 101 ARG HD3 H 1 3.152 0.030 . 1 . . . . 101 ARG HD3 . 11097 1 1138 . 1 1 101 101 ARG HG2 H 1 1.522 0.030 . 1 . . . . 101 ARG HG2 . 11097 1 1139 . 1 1 101 101 ARG HG3 H 1 1.522 0.030 . 1 . . . . 101 ARG HG3 . 11097 1 1140 . 1 1 101 101 ARG C C 13 174.964 0.300 . 1 . . . . 101 ARG C . 11097 1 1141 . 1 1 101 101 ARG CA C 13 57.608 0.300 . 1 . . . . 101 ARG CA . 11097 1 1142 . 1 1 101 101 ARG CB C 13 28.052 0.300 . 1 . . . . 101 ARG CB . 11097 1 1143 . 1 1 101 101 ARG CD C 13 43.296 0.300 . 1 . . . . 101 ARG CD . 11097 1 1144 . 1 1 101 101 ARG CG C 13 27.750 0.300 . 1 . . . . 101 ARG CG . 11097 1 1145 . 1 1 101 101 ARG N N 15 110.859 0.300 . 1 . . . . 101 ARG N . 11097 1 1146 . 1 1 102 102 ARG H H 1 7.837 0.030 . 1 . . . . 102 ARG H . 11097 1 1147 . 1 1 102 102 ARG HA H 1 4.621 0.030 . 1 . . . . 102 ARG HA . 11097 1 1148 . 1 1 102 102 ARG HB2 H 1 1.846 0.030 . 1 . . . . 102 ARG HB2 . 11097 1 1149 . 1 1 102 102 ARG HB3 H 1 1.846 0.030 . 1 . . . . 102 ARG HB3 . 11097 1 1150 . 1 1 102 102 ARG HD2 H 1 3.241 0.030 . 2 . . . . 102 ARG HD2 . 11097 1 1151 . 1 1 102 102 ARG HD3 H 1 3.217 0.030 . 2 . . . . 102 ARG HD3 . 11097 1 1152 . 1 1 102 102 ARG HG2 H 1 1.727 0.030 . 2 . . . . 102 ARG HG2 . 11097 1 1153 . 1 1 102 102 ARG HG3 H 1 1.595 0.030 . 2 . . . . 102 ARG HG3 . 11097 1 1154 . 1 1 102 102 ARG C C 13 174.582 0.300 . 1 . . . . 102 ARG C . 11097 1 1155 . 1 1 102 102 ARG CA C 13 55.173 0.300 . 1 . . . . 102 ARG CA . 11097 1 1156 . 1 1 102 102 ARG CB C 13 32.457 0.300 . 1 . . . . 102 ARG CB . 11097 1 1157 . 1 1 102 102 ARG CD C 13 43.683 0.300 . 1 . . . . 102 ARG CD . 11097 1 1158 . 1 1 102 102 ARG CG C 13 27.270 0.300 . 1 . . . . 102 ARG CG . 11097 1 1159 . 1 1 102 102 ARG N N 15 120.745 0.300 . 1 . . . . 102 ARG N . 11097 1 1160 . 1 1 103 103 SER H H 1 8.497 0.030 . 1 . . . . 103 SER H . 11097 1 1161 . 1 1 103 103 SER HA H 1 5.493 0.030 . 1 . . . . 103 SER HA . 11097 1 1162 . 1 1 103 103 SER HB2 H 1 3.923 0.030 . 2 . . . . 103 SER HB2 . 11097 1 1163 . 1 1 103 103 SER HB3 H 1 3.379 0.030 . 2 . . . . 103 SER HB3 . 11097 1 1164 . 1 1 103 103 SER C C 13 174.649 0.300 . 1 . . . . 103 SER C . 11097 1 1165 . 1 1 103 103 SER CA C 13 57.506 0.300 . 1 . . . . 103 SER CA . 11097 1 1166 . 1 1 103 103 SER CB C 13 66.475 0.300 . 1 . . . . 103 SER CB . 11097 1 1167 . 1 1 103 103 SER N N 15 116.697 0.300 . 1 . . . . 103 SER N . 11097 1 1168 . 1 1 104 104 SER H H 1 8.980 0.030 . 1 . . . . 104 SER H . 11097 1 1169 . 1 1 104 104 SER HA H 1 4.595 0.030 . 1 . . . . 104 SER HA . 11097 1 1170 . 1 1 104 104 SER HB2 H 1 3.856 0.030 . 2 . . . . 104 SER HB2 . 11097 1 1171 . 1 1 104 104 SER HB3 H 1 3.399 0.030 . 2 . . . . 104 SER HB3 . 11097 1 1172 . 1 1 104 104 SER C C 13 174.182 0.300 . 1 . . . . 104 SER C . 11097 1 1173 . 1 1 104 104 SER CA C 13 57.545 0.300 . 1 . . . . 104 SER CA . 11097 1 1174 . 1 1 104 104 SER CB C 13 67.137 0.300 . 1 . . . . 104 SER CB . 11097 1 1175 . 1 1 104 104 SER N N 15 118.678 0.300 . 1 . . . . 104 SER N . 11097 1 1176 . 1 1 105 105 THR H H 1 7.739 0.030 . 1 . . . . 105 THR H . 11097 1 1177 . 1 1 105 105 THR HA H 1 4.297 0.030 . 1 . . . . 105 THR HA . 11097 1 1178 . 1 1 105 105 THR HB H 1 4.492 0.030 . 1 . . . . 105 THR HB . 11097 1 1179 . 1 1 105 105 THR HG21 H 1 1.312 0.030 . 1 . . . . 105 THR HG2 . 11097 1 1180 . 1 1 105 105 THR HG22 H 1 1.312 0.030 . 1 . . . . 105 THR HG2 . 11097 1 1181 . 1 1 105 105 THR HG23 H 1 1.312 0.030 . 1 . . . . 105 THR HG2 . 11097 1 1182 . 1 1 105 105 THR C C 13 174.610 0.300 . 1 . . . . 105 THR C . 11097 1 1183 . 1 1 105 105 THR CA C 13 61.042 0.300 . 1 . . . . 105 THR CA . 11097 1 1184 . 1 1 105 105 THR CB C 13 69.472 0.300 . 1 . . . . 105 THR CB . 11097 1 1185 . 1 1 105 105 THR CG2 C 13 20.997 0.300 . 1 . . . . 105 THR CG2 . 11097 1 1186 . 1 1 105 105 THR N N 15 108.325 0.300 . 1 . . . . 105 THR N . 11097 1 1187 . 1 1 106 106 TRP H H 1 7.812 0.030 . 1 . . . . 106 TRP H . 11097 1 1188 . 1 1 106 106 TRP HA H 1 4.277 0.030 . 1 . . . . 106 TRP HA . 11097 1 1189 . 1 1 106 106 TRP HB2 H 1 3.176 0.030 . 2 . . . . 106 TRP HB2 . 11097 1 1190 . 1 1 106 106 TRP HB3 H 1 2.945 0.030 . 2 . . . . 106 TRP HB3 . 11097 1 1191 . 1 1 106 106 TRP HD1 H 1 7.160 0.030 . 1 . . . . 106 TRP HD1 . 11097 1 1192 . 1 1 106 106 TRP HE1 H 1 9.804 0.030 . 1 . . . . 106 TRP HE1 . 11097 1 1193 . 1 1 106 106 TRP HE3 H 1 7.080 0.030 . 1 . . . . 106 TRP HE3 . 11097 1 1194 . 1 1 106 106 TRP HH2 H 1 6.657 0.030 . 1 . . . . 106 TRP HH2 . 11097 1 1195 . 1 1 106 106 TRP HZ2 H 1 7.146 0.030 . 1 . . . . 106 TRP HZ2 . 11097 1 1196 . 1 1 106 106 TRP HZ3 H 1 6.977 0.030 . 1 . . . . 106 TRP HZ3 . 11097 1 1197 . 1 1 106 106 TRP C C 13 177.621 0.300 . 1 . . . . 106 TRP C . 11097 1 1198 . 1 1 106 106 TRP CA C 13 58.300 0.300 . 1 . . . . 106 TRP CA . 11097 1 1199 . 1 1 106 106 TRP CB C 13 30.480 0.300 . 1 . . . . 106 TRP CB . 11097 1 1200 . 1 1 106 106 TRP CD1 C 13 127.469 0.300 . 1 . . . . 106 TRP CD1 . 11097 1 1201 . 1 1 106 106 TRP CE3 C 13 119.429 0.300 . 1 . . . . 106 TRP CE3 . 11097 1 1202 . 1 1 106 106 TRP CH2 C 13 123.213 0.300 . 1 . . . . 106 TRP CH2 . 11097 1 1203 . 1 1 106 106 TRP CZ2 C 13 115.102 0.300 . 1 . . . . 106 TRP CZ2 . 11097 1 1204 . 1 1 106 106 TRP CZ3 C 13 123.132 0.300 . 1 . . . . 106 TRP CZ3 . 11097 1 1205 . 1 1 106 106 TRP N N 15 121.049 0.300 . 1 . . . . 106 TRP N . 11097 1 1206 . 1 1 106 106 TRP NE1 N 15 128.874 0.300 . 1 . . . . 106 TRP NE1 . 11097 1 1207 . 1 1 107 107 SER H H 1 9.208 0.030 . 1 . . . . 107 SER H . 11097 1 1208 . 1 1 107 107 SER HA H 1 4.293 0.030 . 1 . . . . 107 SER HA . 11097 1 1209 . 1 1 107 107 SER HB2 H 1 4.110 0.030 . 2 . . . . 107 SER HB2 . 11097 1 1210 . 1 1 107 107 SER HB3 H 1 4.395 0.030 . 2 . . . . 107 SER HB3 . 11097 1 1211 . 1 1 107 107 SER C C 13 173.026 0.300 . 1 . . . . 107 SER C . 11097 1 1212 . 1 1 107 107 SER CA C 13 58.531 0.300 . 1 . . . . 107 SER CA . 11097 1 1213 . 1 1 107 107 SER CB C 13 66.735 0.300 . 1 . . . . 107 SER CB . 11097 1 1214 . 1 1 107 107 SER N N 15 116.481 0.300 . 1 . . . . 107 SER N . 11097 1 1215 . 1 1 108 108 MET H H 1 8.424 0.030 . 1 . . . . 108 MET H . 11097 1 1216 . 1 1 108 108 MET HA H 1 4.543 0.030 . 1 . . . . 108 MET HA . 11097 1 1217 . 1 1 108 108 MET HB2 H 1 2.296 0.030 . 2 . . . . 108 MET HB2 . 11097 1 1218 . 1 1 108 108 MET HB3 H 1 2.222 0.030 . 2 . . . . 108 MET HB3 . 11097 1 1219 . 1 1 108 108 MET HE1 H 1 2.275 0.030 . 1 . . . . 108 MET HE . 11097 1 1220 . 1 1 108 108 MET HE2 H 1 2.275 0.030 . 1 . . . . 108 MET HE . 11097 1 1221 . 1 1 108 108 MET HE3 H 1 2.275 0.030 . 1 . . . . 108 MET HE . 11097 1 1222 . 1 1 108 108 MET HG2 H 1 2.840 0.030 . 2 . . . . 108 MET HG2 . 11097 1 1223 . 1 1 108 108 MET HG3 H 1 2.709 0.030 . 2 . . . . 108 MET HG3 . 11097 1 1224 . 1 1 108 108 MET C C 13 176.364 0.300 . 1 . . . . 108 MET C . 11097 1 1225 . 1 1 108 108 MET CA C 13 56.562 0.300 . 1 . . . . 108 MET CA . 11097 1 1226 . 1 1 108 108 MET CB C 13 33.065 0.300 . 1 . . . . 108 MET CB . 11097 1 1227 . 1 1 108 108 MET CE C 13 17.227 0.300 . 1 . . . . 108 MET CE . 11097 1 1228 . 1 1 108 108 MET CG C 13 31.694 0.300 . 1 . . . . 108 MET CG . 11097 1 1229 . 1 1 108 108 MET N N 15 115.894 0.300 . 1 . . . . 108 MET N . 11097 1 1230 . 1 1 109 109 THR H H 1 8.317 0.030 . 1 . . . . 109 THR H . 11097 1 1231 . 1 1 109 109 THR HA H 1 4.904 0.030 . 1 . . . . 109 THR HA . 11097 1 1232 . 1 1 109 109 THR HB H 1 3.899 0.030 . 1 . . . . 109 THR HB . 11097 1 1233 . 1 1 109 109 THR HG21 H 1 1.016 0.030 . 1 . . . . 109 THR HG2 . 11097 1 1234 . 1 1 109 109 THR HG22 H 1 1.016 0.030 . 1 . . . . 109 THR HG2 . 11097 1 1235 . 1 1 109 109 THR HG23 H 1 1.016 0.030 . 1 . . . . 109 THR HG2 . 11097 1 1236 . 1 1 109 109 THR C C 13 174.794 0.300 . 1 . . . . 109 THR C . 11097 1 1237 . 1 1 109 109 THR CA C 13 61.222 0.300 . 1 . . . . 109 THR CA . 11097 1 1238 . 1 1 109 109 THR CB C 13 70.903 0.300 . 1 . . . . 109 THR CB . 11097 1 1239 . 1 1 109 109 THR CG2 C 13 23.210 0.300 . 1 . . . . 109 THR CG2 . 11097 1 1240 . 1 1 109 109 THR N N 15 115.469 0.300 . 1 . . . . 109 THR N . 11097 1 1241 . 1 1 110 110 ALA H H 1 9.072 0.030 . 1 . . . . 110 ALA H . 11097 1 1242 . 1 1 110 110 ALA HA H 1 4.889 0.030 . 1 . . . . 110 ALA HA . 11097 1 1243 . 1 1 110 110 ALA HB1 H 1 1.364 0.030 . 1 . . . . 110 ALA HB . 11097 1 1244 . 1 1 110 110 ALA HB2 H 1 1.364 0.030 . 1 . . . . 110 ALA HB . 11097 1 1245 . 1 1 110 110 ALA HB3 H 1 1.364 0.030 . 1 . . . . 110 ALA HB . 11097 1 1246 . 1 1 110 110 ALA C C 13 175.602 0.300 . 1 . . . . 110 ALA C . 11097 1 1247 . 1 1 110 110 ALA CA C 13 50.692 0.300 . 1 . . . . 110 ALA CA . 11097 1 1248 . 1 1 110 110 ALA CB C 13 22.840 0.300 . 1 . . . . 110 ALA CB . 11097 1 1249 . 1 1 110 110 ALA N N 15 125.874 0.300 . 1 . . . . 110 ALA N . 11097 1 1250 . 1 1 111 111 HIS H H 1 8.779 0.030 . 1 . . . . 111 HIS H . 11097 1 1251 . 1 1 111 111 HIS HA H 1 6.101 0.030 . 1 . . . . 111 HIS HA . 11097 1 1252 . 1 1 111 111 HIS HB2 H 1 3.085 0.030 . 2 . . . . 111 HIS HB2 . 11097 1 1253 . 1 1 111 111 HIS HB3 H 1 2.946 0.030 . 2 . . . . 111 HIS HB3 . 11097 1 1254 . 1 1 111 111 HIS HD2 H 1 6.934 0.030 . 1 . . . . 111 HIS HD2 . 11097 1 1255 . 1 1 111 111 HIS HE1 H 1 7.545 0.030 . 1 . . . . 111 HIS HE1 . 11097 1 1256 . 1 1 111 111 HIS C C 13 176.025 0.300 . 1 . . . . 111 HIS C . 11097 1 1257 . 1 1 111 111 HIS CA C 13 55.406 0.300 . 1 . . . . 111 HIS CA . 11097 1 1258 . 1 1 111 111 HIS CB C 13 34.336 0.300 . 1 . . . . 111 HIS CB . 11097 1 1259 . 1 1 111 111 HIS CD2 C 13 119.347 0.300 . 1 . . . . 111 HIS CD2 . 11097 1 1260 . 1 1 111 111 HIS CE1 C 13 138.374 0.300 . 1 . . . . 111 HIS CE1 . 11097 1 1261 . 1 1 111 111 HIS N N 15 119.854 0.300 . 1 . . . . 111 HIS N . 11097 1 1262 . 1 1 112 112 ALA H H 1 9.059 0.030 . 1 . . . . 112 ALA H . 11097 1 1263 . 1 1 112 112 ALA HA H 1 4.708 0.030 . 1 . . . . 112 ALA HA . 11097 1 1264 . 1 1 112 112 ALA HB1 H 1 1.279 0.030 . 1 . . . . 112 ALA HB . 11097 1 1265 . 1 1 112 112 ALA HB2 H 1 1.279 0.030 . 1 . . . . 112 ALA HB . 11097 1 1266 . 1 1 112 112 ALA HB3 H 1 1.279 0.030 . 1 . . . . 112 ALA HB . 11097 1 1267 . 1 1 112 112 ALA C C 13 175.198 0.300 . 1 . . . . 112 ALA C . 11097 1 1268 . 1 1 112 112 ALA CA C 13 52.451 0.300 . 1 . . . . 112 ALA CA . 11097 1 1269 . 1 1 112 112 ALA CB C 13 23.769 0.300 . 1 . . . . 112 ALA CB . 11097 1 1270 . 1 1 112 112 ALA N N 15 121.010 0.300 . 1 . . . . 112 ALA N . 11097 1 1271 . 1 1 113 113 THR H H 1 8.527 0.030 . 1 . . . . 113 THR H . 11097 1 1272 . 1 1 113 113 THR HA H 1 5.316 0.030 . 1 . . . . 113 THR HA . 11097 1 1273 . 1 1 113 113 THR HB H 1 3.832 0.030 . 1 . . . . 113 THR HB . 11097 1 1274 . 1 1 113 113 THR HG21 H 1 1.145 0.030 . 1 . . . . 113 THR HG2 . 11097 1 1275 . 1 1 113 113 THR HG22 H 1 1.145 0.030 . 1 . . . . 113 THR HG2 . 11097 1 1276 . 1 1 113 113 THR HG23 H 1 1.145 0.030 . 1 . . . . 113 THR HG2 . 11097 1 1277 . 1 1 113 113 THR C C 13 175.023 0.300 . 1 . . . . 113 THR C . 11097 1 1278 . 1 1 113 113 THR CA C 13 60.582 0.300 . 1 . . . . 113 THR CA . 11097 1 1279 . 1 1 113 113 THR CB C 13 69.921 0.300 . 1 . . . . 113 THR CB . 11097 1 1280 . 1 1 113 113 THR CG2 C 13 20.573 0.300 . 1 . . . . 113 THR CG2 . 11097 1 1281 . 1 1 113 113 THR N N 15 118.428 0.300 . 1 . . . . 113 THR N . 11097 1 1282 . 1 1 114 114 THR H H 1 8.633 0.030 . 1 . . . . 114 THR H . 11097 1 1283 . 1 1 114 114 THR HA H 1 3.832 0.030 . 1 . . . . 114 THR HA . 11097 1 1284 . 1 1 114 114 THR HB H 1 4.659 0.030 . 1 . . . . 114 THR HB . 11097 1 1285 . 1 1 114 114 THR HG21 H 1 1.078 0.030 . 1 . . . . 114 THR HG2 . 11097 1 1286 . 1 1 114 114 THR HG22 H 1 1.078 0.030 . 1 . . . . 114 THR HG2 . 11097 1 1287 . 1 1 114 114 THR HG23 H 1 1.078 0.030 . 1 . . . . 114 THR HG2 . 11097 1 1288 . 1 1 114 114 THR C C 13 175.342 0.300 . 1 . . . . 114 THR C . 11097 1 1289 . 1 1 114 114 THR CA C 13 61.757 0.300 . 1 . . . . 114 THR CA . 11097 1 1290 . 1 1 114 114 THR CB C 13 69.295 0.300 . 1 . . . . 114 THR CB . 11097 1 1291 . 1 1 114 114 THR CG2 C 13 25.123 0.300 . 1 . . . . 114 THR CG2 . 11097 1 1292 . 1 1 114 114 THR N N 15 116.469 0.300 . 1 . . . . 114 THR N . 11097 1 1293 . 1 1 115 115 TYR H H 1 6.853 0.030 . 1 . . . . 115 TYR H . 11097 1 1294 . 1 1 115 115 TYR HA H 1 4.504 0.030 . 1 . . . . 115 TYR HA . 11097 1 1295 . 1 1 115 115 TYR HB2 H 1 2.394 0.030 . 2 . . . . 115 TYR HB2 . 11097 1 1296 . 1 1 115 115 TYR HB3 H 1 3.488 0.030 . 2 . . . . 115 TYR HB3 . 11097 1 1297 . 1 1 115 115 TYR HD1 H 1 7.065 0.030 . 1 . . . . 115 TYR HD1 . 11097 1 1298 . 1 1 115 115 TYR HD2 H 1 7.065 0.030 . 1 . . . . 115 TYR HD2 . 11097 1 1299 . 1 1 115 115 TYR HE1 H 1 6.744 0.030 . 1 . . . . 115 TYR HE1 . 11097 1 1300 . 1 1 115 115 TYR HE2 H 1 6.744 0.030 . 1 . . . . 115 TYR HE2 . 11097 1 1301 . 1 1 115 115 TYR C C 13 175.952 0.300 . 1 . . . . 115 TYR C . 11097 1 1302 . 1 1 115 115 TYR CA C 13 57.790 0.300 . 1 . . . . 115 TYR CA . 11097 1 1303 . 1 1 115 115 TYR CB C 13 38.771 0.300 . 1 . . . . 115 TYR CB . 11097 1 1304 . 1 1 115 115 TYR CD1 C 13 131.814 0.300 . 1 . . . . 115 TYR CD1 . 11097 1 1305 . 1 1 115 115 TYR CD2 C 13 131.814 0.300 . 1 . . . . 115 TYR CD2 . 11097 1 1306 . 1 1 115 115 TYR CE1 C 13 118.622 0.300 . 1 . . . . 115 TYR CE1 . 11097 1 1307 . 1 1 115 115 TYR CE2 C 13 118.622 0.300 . 1 . . . . 115 TYR CE2 . 11097 1 1308 . 1 1 115 115 TYR N N 15 117.025 0.300 . 1 . . . . 115 TYR N . 11097 1 1309 . 1 1 116 116 GLU H H 1 8.569 0.030 . 1 . . . . 116 GLU H . 11097 1 1310 . 1 1 116 116 GLU HA H 1 4.309 0.030 . 1 . . . . 116 GLU HA . 11097 1 1311 . 1 1 116 116 GLU HB2 H 1 2.091 0.030 . 2 . . . . 116 GLU HB2 . 11097 1 1312 . 1 1 116 116 GLU HB3 H 1 1.976 0.030 . 2 . . . . 116 GLU HB3 . 11097 1 1313 . 1 1 116 116 GLU HG2 H 1 2.384 0.030 . 2 . . . . 116 GLU HG2 . 11097 1 1314 . 1 1 116 116 GLU HG3 H 1 2.239 0.030 . 2 . . . . 116 GLU HG3 . 11097 1 1315 . 1 1 116 116 GLU C C 13 176.409 0.300 . 1 . . . . 116 GLU C . 11097 1 1316 . 1 1 116 116 GLU CA C 13 56.993 0.300 . 1 . . . . 116 GLU CA . 11097 1 1317 . 1 1 116 116 GLU CB C 13 30.838 0.300 . 1 . . . . 116 GLU CB . 11097 1 1318 . 1 1 116 116 GLU CG C 13 36.641 0.300 . 1 . . . . 116 GLU CG . 11097 1 1319 . 1 1 116 116 GLU N N 15 118.029 0.300 . 1 . . . . 116 GLU N . 11097 1 1320 . 1 1 117 117 ALA H H 1 8.818 0.030 . 1 . . . . 117 ALA H . 11097 1 1321 . 1 1 117 117 ALA HA H 1 4.082 0.030 . 1 . . . . 117 ALA HA . 11097 1 1322 . 1 1 117 117 ALA HB1 H 1 1.206 0.030 . 1 . . . . 117 ALA HB . 11097 1 1323 . 1 1 117 117 ALA HB2 H 1 1.206 0.030 . 1 . . . . 117 ALA HB . 11097 1 1324 . 1 1 117 117 ALA HB3 H 1 1.206 0.030 . 1 . . . . 117 ALA HB . 11097 1 1325 . 1 1 117 117 ALA C C 13 177.266 0.300 . 1 . . . . 117 ALA C . 11097 1 1326 . 1 1 117 117 ALA CA C 13 52.294 0.300 . 1 . . . . 117 ALA CA . 11097 1 1327 . 1 1 117 117 ALA CB C 13 19.176 0.300 . 1 . . . . 117 ALA CB . 11097 1 1328 . 1 1 117 117 ALA N N 15 124.843 0.300 . 1 . . . . 117 ALA N . 11097 1 1329 . 1 1 118 118 SER H H 1 8.080 0.030 . 1 . . . . 118 SER H . 11097 1 1330 . 1 1 118 118 SER HA H 1 4.409 0.030 . 1 . . . . 118 SER HA . 11097 1 1331 . 1 1 118 118 SER HB2 H 1 3.820 0.030 . 2 . . . . 118 SER HB2 . 11097 1 1332 . 1 1 118 118 SER HB3 H 1 3.779 0.030 . 2 . . . . 118 SER HB3 . 11097 1 1333 . 1 1 118 118 SER C C 13 174.514 0.300 . 1 . . . . 118 SER C . 11097 1 1334 . 1 1 118 118 SER CA C 13 58.137 0.300 . 1 . . . . 118 SER CA . 11097 1 1335 . 1 1 118 118 SER CB C 13 63.996 0.300 . 1 . . . . 118 SER CB . 11097 1 1336 . 1 1 118 118 SER N N 15 115.458 0.300 . 1 . . . . 118 SER N . 11097 1 1337 . 1 1 119 119 GLY H H 1 8.210 0.030 . 1 . . . . 119 GLY H . 11097 1 1338 . 1 1 119 119 GLY HA2 H 1 4.074 0.030 . 2 . . . . 119 GLY HA2 . 11097 1 1339 . 1 1 119 119 GLY HA3 H 1 4.124 0.030 . 2 . . . . 119 GLY HA3 . 11097 1 1340 . 1 1 119 119 GLY C C 13 171.753 0.300 . 1 . . . . 119 GLY C . 11097 1 1341 . 1 1 119 119 GLY CA C 13 44.612 0.300 . 1 . . . . 119 GLY CA . 11097 1 1342 . 1 1 119 119 GLY N N 15 110.573 0.300 . 1 . . . . 119 GLY N . 11097 1 1343 . 1 1 120 120 PRO HA H 1 4.458 0.030 . 1 . . . . 120 PRO HA . 11097 1 1344 . 1 1 120 120 PRO HB2 H 1 2.263 0.030 . 2 . . . . 120 PRO HB2 . 11097 1 1345 . 1 1 120 120 PRO HB3 H 1 1.946 0.030 . 2 . . . . 120 PRO HB3 . 11097 1 1346 . 1 1 120 120 PRO HD2 H 1 3.609 0.030 . 2 . . . . 120 PRO HD2 . 11097 1 1347 . 1 1 120 120 PRO HD3 H 1 3.584 0.030 . 2 . . . . 120 PRO HD3 . 11097 1 1348 . 1 1 120 120 PRO HG2 H 1 1.989 0.030 . 2 . . . . 120 PRO HG2 . 11097 1 1349 . 1 1 120 120 PRO C C 13 177.349 0.300 . 1 . . . . 120 PRO C . 11097 1 1350 . 1 1 120 120 PRO CA C 13 63.261 0.300 . 1 . . . . 120 PRO CA . 11097 1 1351 . 1 1 120 120 PRO CB C 13 32.147 0.300 . 1 . . . . 120 PRO CB . 11097 1 1352 . 1 1 120 120 PRO CD C 13 49.771 0.300 . 1 . . . . 120 PRO CD . 11097 1 1353 . 1 1 120 120 PRO CG C 13 27.039 0.300 . 1 . . . . 120 PRO CG . 11097 1 1354 . 1 1 121 121 SER H H 1 8.498 0.030 . 1 . . . . 121 SER H . 11097 1 1355 . 1 1 121 121 SER C C 13 177.373 0.300 . 1 . . . . 121 SER C . 11097 1 1356 . 1 1 121 121 SER CA C 13 58.219 0.300 . 1 . . . . 121 SER CA . 11097 1 1357 . 1 1 121 121 SER CB C 13 63.896 0.300 . 1 . . . . 121 SER CB . 11097 1 1358 . 1 1 121 121 SER N N 15 116.474 0.300 . 1 . . . . 121 SER N . 11097 1 stop_ save_