data_17635 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17635 _Entry.Title ; solution structure of FUS/TLS RRM domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-10 _Entry.Accession_date 2011-05-10 _Entry.Last_release_date 2012-06-04 _Entry.Original_release_date 2012-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Xuehui Liu . . . 17635 2 Jintao Ren . . . 17635 3 Chunyan Niu . . . 17635 4 Weimin Gong . . . 17635 5 Wei Feng . . . 17635 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17635 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RRM . 17635 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17635 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 17635 '15N chemical shifts' 117 17635 '1H chemical shifts' 657 17635 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-06-04 2011-05-10 original author . 17635 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCW 'BMRB Entry Tracking System' 17635 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17635 _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 'TLS-RRM is a promiscuous nucleic acid binding domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xuehui Liu . . . 17635 1 2 Jintao Ren . . . 17635 1 3 Chunyan Niu . . . 17635 1 4 Wei Feng . . . 17635 1 5 Weimin Gong . . . 17635 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17635 _Assembly.ID 1 _Assembly.Name 'FUS/TLS RRM domain' _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 'FUS/TLS RRM domain' 1 $FUS_TLS_RRM_domain A . yes native no no . . . 17635 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FUS_TLS_RRM_domain _Entity.Sf_category entity _Entity.Sf_framecode FUS_TLS_RRM_domain _Entity.Entry_ID 17635 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FUS/TLS RRM 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 ; EQDNSDNNTIFVQGLGENVT IESVADYFKQIGIIKTNKKT GQPMINLYTDRETGKLKGEA TVSFDDPPSAKAAIDWFDGK EFSGNPIKVSFATRRADFNR GGGNGRGG ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11747.013 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LCW . "Solution Structure Of FusTLS RRM DOMAIN" . . . . . 100.00 116 100.00 100.00 1.81e-71 . . . . 17635 1 2 no DBJ BAD92139 . "fusion (involved in t(12;16) in malignant liposarcoma) isoform a variant [Homo sapiens]" . . . . . 100.00 300 100.00 100.00 7.72e-68 . . . . 17635 1 3 no DBJ BAE24196 . "unnamed protein product [Mus musculus]" . . . . . 100.00 518 100.00 100.00 2.14e-69 . . . . 17635 1 4 no DBJ BAE26524 . "unnamed protein product [Mus musculus]" . . . . . 100.00 518 100.00 100.00 2.57e-69 . . . . 17635 1 5 no DBJ BAE26972 . "unnamed protein product [Mus musculus]" . . . . . 100.00 518 99.07 99.07 2.41e-68 . . . . 17635 1 6 no DBJ BAE87186 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 533 100.00 100.00 2.14e-69 . . . . 17635 1 7 no EMBL CAA50559 . "FUS gycline rich protein [Homo sapiens]" . . . . . 100.00 525 100.00 100.00 2.31e-69 . . . . 17635 1 8 no EMBL CAG33028 . "FUS [Homo sapiens]" . . . . . 100.00 526 100.00 100.00 2.62e-69 . . . . 17635 1 9 no EMBL CAJ83479 . "fusion (involved in t(12;16) in malignant liposarcoma) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 539 98.15 99.07 8.50e-67 . . . . 17635 1 10 no GB AAA79948 . "fus-like protein, partial [Homo sapiens]" . . . . . 100.00 528 100.00 100.00 2.29e-69 . . . . 17635 1 11 no GB AAB27102 . "TLS [Homo sapiens]" . . . . . 100.00 526 100.00 100.00 2.62e-69 . . . . 17635 1 12 no GB AAC13543 . "pigpen [Bos taurus]" . . . . . 100.00 512 100.00 100.00 3.41e-69 . . . . 17635 1 13 no GB AAC35284 . "FUS/TLS protein [Homo sapiens]" . . . . . 100.00 525 100.00 100.00 2.31e-69 . . . . 17635 1 14 no GB AAC35285 . "FUS/TLS protein [Homo sapiens]" . . . . . 100.00 526 100.00 100.00 2.62e-69 . . . . 17635 1 15 no PRF 1916411B . "TLS protein" . . . . . 100.00 260 100.00 100.00 4.30e-69 . . . . 17635 1 16 no REF NP_001001531 . "RNA-binding protein FUS [Gallus gallus]" . . . . . 100.00 504 99.07 99.07 5.17e-68 . . . . 17635 1 17 no REF NP_001012137 . "RNA-binding protein FUS [Rattus norvegicus]" . . . . . 100.00 518 100.00 100.00 2.57e-69 . . . . 17635 1 18 no REF NP_001080383 . "FUS RNA binding protein [Xenopus laevis]" . . . . . 100.00 536 97.22 98.15 1.21e-65 . . . . 17635 1 19 no REF NP_001086293 . "MGC84691 protein [Xenopus laevis]" . . . . . 100.00 536 97.22 98.15 1.21e-65 . . . . 17635 1 20 no REF NP_001090836 . "RNA-binding protein FUS [Xenopus (Silurana) tropicalis]" . . . . . 100.00 539 98.15 99.07 8.50e-67 . . . . 17635 1 21 no SP P35637 . "RecName: Full=RNA-binding protein FUS; AltName: Full=75 kDa DNA-pairing protein; AltName: Full=Oncogene FUS; AltName: Full=Onco" . . . . . 100.00 526 100.00 100.00 2.62e-69 . . . . 17635 1 22 no SP P56959 . "RecName: Full=RNA-binding protein FUS; AltName: Full=Protein pigpen" . . . . . 100.00 518 100.00 100.00 2.57e-69 . . . . 17635 1 23 no SP Q28009 . "RecName: Full=RNA-binding protein FUS; AltName: Full=Protein pigpen" . . . . . 100.00 513 100.00 100.00 3.20e-69 . . . . 17635 1 24 no TPG DAA15352 . "TPA: RNA-binding protein FUS [Bos taurus]" . . . . . 100.00 512 100.00 100.00 3.41e-69 . . . . 17635 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 . GLU . 17635 1 2 . GLN . 17635 1 3 . ASP . 17635 1 4 . ASN . 17635 1 5 . SER . 17635 1 6 . ASP . 17635 1 7 . ASN . 17635 1 8 . ASN . 17635 1 9 . THR . 17635 1 10 . ILE . 17635 1 11 . PHE . 17635 1 12 . VAL . 17635 1 13 . GLN . 17635 1 14 . GLY . 17635 1 15 . LEU . 17635 1 16 . GLY . 17635 1 17 . GLU . 17635 1 18 . ASN . 17635 1 19 . VAL . 17635 1 20 . THR . 17635 1 21 . ILE . 17635 1 22 . GLU . 17635 1 23 . SER . 17635 1 24 . VAL . 17635 1 25 . ALA . 17635 1 26 . ASP . 17635 1 27 . TYR . 17635 1 28 . PHE . 17635 1 29 . LYS . 17635 1 30 . GLN . 17635 1 31 . ILE . 17635 1 32 . GLY . 17635 1 33 . ILE . 17635 1 34 . ILE . 17635 1 35 . LYS . 17635 1 36 . THR . 17635 1 37 . ASN . 17635 1 38 . LYS . 17635 1 39 . LYS . 17635 1 40 . THR . 17635 1 41 . GLY . 17635 1 42 . GLN . 17635 1 43 . PRO . 17635 1 44 . MET . 17635 1 45 . ILE . 17635 1 46 . ASN . 17635 1 47 . LEU . 17635 1 48 . TYR . 17635 1 49 . THR . 17635 1 50 . ASP . 17635 1 51 . ARG . 17635 1 52 . GLU . 17635 1 53 . THR . 17635 1 54 . GLY . 17635 1 55 . LYS . 17635 1 56 . LEU . 17635 1 57 . LYS . 17635 1 58 . GLY . 17635 1 59 . GLU . 17635 1 60 . ALA . 17635 1 61 . THR . 17635 1 62 . VAL . 17635 1 63 . SER . 17635 1 64 . PHE . 17635 1 65 . ASP . 17635 1 66 . ASP . 17635 1 67 . PRO . 17635 1 68 . PRO . 17635 1 69 . SER . 17635 1 70 . ALA . 17635 1 71 . LYS . 17635 1 72 . ALA . 17635 1 73 . ALA . 17635 1 74 . ILE . 17635 1 75 . ASP . 17635 1 76 . TRP . 17635 1 77 . PHE . 17635 1 78 . ASP . 17635 1 79 . GLY . 17635 1 80 . LYS . 17635 1 81 . GLU . 17635 1 82 . PHE . 17635 1 83 . SER . 17635 1 84 . GLY . 17635 1 85 . ASN . 17635 1 86 . PRO . 17635 1 87 . ILE . 17635 1 88 . LYS . 17635 1 89 . VAL . 17635 1 90 . SER . 17635 1 91 . PHE . 17635 1 92 . ALA . 17635 1 93 . THR . 17635 1 94 . ARG . 17635 1 95 . ARG . 17635 1 96 . ALA . 17635 1 97 . ASP . 17635 1 98 . PHE . 17635 1 99 . ASN . 17635 1 100 . ARG . 17635 1 101 . GLY . 17635 1 102 . GLY . 17635 1 103 . GLY . 17635 1 104 . ASN . 17635 1 105 . GLY . 17635 1 106 . ARG . 17635 1 107 . GLY . 17635 1 108 . GLY . 17635 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 . GLU 1 1 17635 1 . GLN 2 2 17635 1 . ASP 3 3 17635 1 . ASN 4 4 17635 1 . SER 5 5 17635 1 . ASP 6 6 17635 1 . ASN 7 7 17635 1 . ASN 8 8 17635 1 . THR 9 9 17635 1 . ILE 10 10 17635 1 . PHE 11 11 17635 1 . VAL 12 12 17635 1 . GLN 13 13 17635 1 . GLY 14 14 17635 1 . LEU 15 15 17635 1 . GLY 16 16 17635 1 . GLU 17 17 17635 1 . ASN 18 18 17635 1 . VAL 19 19 17635 1 . THR 20 20 17635 1 . ILE 21 21 17635 1 . GLU 22 22 17635 1 . SER 23 23 17635 1 . VAL 24 24 17635 1 . ALA 25 25 17635 1 . ASP 26 26 17635 1 . TYR 27 27 17635 1 . PHE 28 28 17635 1 . LYS 29 29 17635 1 . GLN 30 30 17635 1 . ILE 31 31 17635 1 . GLY 32 32 17635 1 . ILE 33 33 17635 1 . ILE 34 34 17635 1 . LYS 35 35 17635 1 . THR 36 36 17635 1 . ASN 37 37 17635 1 . LYS 38 38 17635 1 . LYS 39 39 17635 1 . THR 40 40 17635 1 . GLY 41 41 17635 1 . GLN 42 42 17635 1 . PRO 43 43 17635 1 . MET 44 44 17635 1 . ILE 45 45 17635 1 . ASN 46 46 17635 1 . LEU 47 47 17635 1 . TYR 48 48 17635 1 . THR 49 49 17635 1 . ASP 50 50 17635 1 . ARG 51 51 17635 1 . GLU 52 52 17635 1 . THR 53 53 17635 1 . GLY 54 54 17635 1 . LYS 55 55 17635 1 . LEU 56 56 17635 1 . LYS 57 57 17635 1 . GLY 58 58 17635 1 . GLU 59 59 17635 1 . ALA 60 60 17635 1 . THR 61 61 17635 1 . VAL 62 62 17635 1 . SER 63 63 17635 1 . PHE 64 64 17635 1 . ASP 65 65 17635 1 . ASP 66 66 17635 1 . PRO 67 67 17635 1 . PRO 68 68 17635 1 . SER 69 69 17635 1 . ALA 70 70 17635 1 . LYS 71 71 17635 1 . ALA 72 72 17635 1 . ALA 73 73 17635 1 . ILE 74 74 17635 1 . ASP 75 75 17635 1 . TRP 76 76 17635 1 . PHE 77 77 17635 1 . ASP 78 78 17635 1 . GLY 79 79 17635 1 . LYS 80 80 17635 1 . GLU 81 81 17635 1 . PHE 82 82 17635 1 . SER 83 83 17635 1 . GLY 84 84 17635 1 . ASN 85 85 17635 1 . PRO 86 86 17635 1 . ILE 87 87 17635 1 . LYS 88 88 17635 1 . VAL 89 89 17635 1 . SER 90 90 17635 1 . PHE 91 91 17635 1 . ALA 92 92 17635 1 . THR 93 93 17635 1 . ARG 94 94 17635 1 . ARG 95 95 17635 1 . ALA 96 96 17635 1 . ASP 97 97 17635 1 . PHE 98 98 17635 1 . ASN 99 99 17635 1 . ARG 100 100 17635 1 . GLY 101 101 17635 1 . GLY 102 102 17635 1 . GLY 103 103 17635 1 . ASN 104 104 17635 1 . GLY 105 105 17635 1 . ARG 106 106 17635 1 . GLY 107 107 17635 1 . GLY 108 108 17635 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 17635 _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 $FUS_TLS_RRM_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17635 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 17635 _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 $FUS_TLS_RRM_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-22b . . . . . . 17635 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17635 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 17635 1 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17635 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17635 1 4 H2O 'natural abundance' . . . . . . 10 . . % . . . . 17635 1 5 D2O '[U-100% 2H]' . . . . . . 90 . . % . . . . 17635 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17635 1 7 FUS_TLS_RRM_domain '[U-100% 15N; U-100% 13C]' . . 1 $FUS_TLS_RRM_domain . . 1 . . mM . . . . 17635 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17635 _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' 50 . mM 17635 1 pH 7.0 . pH 17635 1 pressure 1 . atm 17635 1 temperature 298 . K 17635 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17635 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17635 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17635 1 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 17635 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17635 _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 DRX . 600 . . . 17635 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 17635 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17635 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17635 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . . . . . 17635 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1 . . . . . . . . . 17635 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . . . . . 17635 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17635 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17635 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 1 1 GLU HA H 1 4.352 0.004 . 1 . . . A 1 GLU HA . 17635 1 2 . 1 1 1 1 GLU HB2 H 1 2.075 0.003 . 2 . . . A 1 GLU HB2 . 17635 1 3 . 1 1 1 1 GLU HB3 H 1 1.935 0.005 . 2 . . . A 1 GLU HB3 . 17635 1 4 . 1 1 1 1 GLU HG2 H 1 2.298 0.004 . 2 . . . A 1 GLU HG2 . 17635 1 5 . 1 1 1 1 GLU C C 13 174.257 0.000 . 1 . . . A 1 GLU C . 17635 1 6 . 1 1 1 1 GLU CA C 13 56.516 0.037 . 1 . . . A 1 GLU CA . 17635 1 7 . 1 1 1 1 GLU CB C 13 30.392 0.049 . 1 . . . A 1 GLU CB . 17635 1 8 . 1 1 1 1 GLU CG C 13 36.159 0.020 . 1 . . . A 1 GLU CG . 17635 1 9 . 1 1 2 2 GLN H H 1 8.621 0.008 . 1 . . . A 2 GLN H . 17635 1 10 . 1 1 2 2 GLN HA H 1 4.266 0.007 . 1 . . . A 2 GLN HA . 17635 1 11 . 1 1 2 2 GLN HB2 H 1 2.049 0.009 . 2 . . . A 2 GLN HB2 . 17635 1 12 . 1 1 2 2 GLN HB3 H 1 1.970 0.003 . 2 . . . A 2 GLN HB3 . 17635 1 13 . 1 1 2 2 GLN HG2 H 1 2.311 0.011 . 2 . . . A 2 GLN HG2 . 17635 1 14 . 1 1 2 2 GLN HE21 H 1 7.671 0.006 . 2 . . . A 2 GLN HE21 . 17635 1 15 . 1 1 2 2 GLN HE22 H 1 6.888 0.003 . 2 . . . A 2 GLN HE22 . 17635 1 16 . 1 1 2 2 GLN C C 13 175.248 0.000 . 1 . . . A 2 GLN C . 17635 1 17 . 1 1 2 2 GLN CA C 13 55.996 0.069 . 1 . . . A 2 GLN CA . 17635 1 18 . 1 1 2 2 GLN CB C 13 29.639 0.046 . 1 . . . A 2 GLN CB . 17635 1 19 . 1 1 2 2 GLN CG C 13 33.799 0.058 . 1 . . . A 2 GLN CG . 17635 1 20 . 1 1 2 2 GLN CD C 13 182.095 0.000 . 1 . . . A 2 GLN CD . 17635 1 21 . 1 1 2 2 GLN N N 15 121.692 0.069 . 1 . . . A 2 GLN N . 17635 1 22 . 1 1 2 2 GLN NE2 N 15 112.707 0.235 . 1 . . . A 2 GLN NE2 . 17635 1 23 . 1 1 3 3 ASP H H 1 8.436 0.004 . 1 . . . A 3 ASP H . 17635 1 24 . 1 1 3 3 ASP HA H 1 4.568 0.005 . 1 . . . A 3 ASP HA . 17635 1 25 . 1 1 3 3 ASP HB2 H 1 2.706 0.002 . 2 . . . A 3 ASP HB3 . 17635 1 26 . 1 1 3 3 ASP C C 13 174.336 0.000 . 1 . . . A 3 ASP C . 17635 1 27 . 1 1 3 3 ASP CA C 13 54.062 0.028 . 1 . . . A 3 ASP CA . 17635 1 28 . 1 1 3 3 ASP CB C 13 41.071 0.021 . 1 . . . A 3 ASP CB . 17635 1 29 . 1 1 3 3 ASP N N 15 121.801 0.032 . 1 . . . A 3 ASP N . 17635 1 30 . 1 1 4 4 ASN H H 1 8.528 0.004 . 1 . . . A 4 ASN H . 17635 1 31 . 1 1 4 4 ASN HA H 1 4.637 0.012 . 1 . . . A 4 ASN HA . 17635 1 32 . 1 1 4 4 ASN HB2 H 1 2.202 0.006 . 2 . . . A 4 ASN HB2 . 17635 1 33 . 1 1 4 4 ASN HB3 H 1 1.933 0.006 . 2 . . . A 4 ASN HB3 . 17635 1 34 . 1 1 4 4 ASN HD21 H 1 7.594 0.003 . 2 . . . A 4 ASN HD21 . 17635 1 35 . 1 1 4 4 ASN HD22 H 1 6.995 0.003 . 2 . . . A 4 ASN HD22 . 17635 1 36 . 1 1 4 4 ASN C C 13 174.415 0.000 . 1 . . . A 4 ASN C . 17635 1 37 . 1 1 4 4 ASN CA C 13 53.861 0.064 . 1 . . . A 4 ASN CA . 17635 1 38 . 1 1 4 4 ASN CB C 13 38.534 0.039 . 1 . . . A 4 ASN CB . 17635 1 39 . 1 1 4 4 ASN CG C 13 173.005 0.012 . 1 . . . A 4 ASN CG . 17635 1 40 . 1 1 4 4 ASN N N 15 120.292 0.065 . 1 . . . A 4 ASN N . 17635 1 41 . 1 1 4 4 ASN ND2 N 15 115.469 0.251 . 1 . . . A 4 ASN ND2 . 17635 1 42 . 1 1 5 5 SER H H 1 8.470 0.005 . 1 . . . A 5 SER H . 17635 1 43 . 1 1 5 5 SER HA H 1 4.163 0.006 . 1 . . . A 5 SER HA . 17635 1 44 . 1 1 5 5 SER HB2 H 1 4.167 0.005 . 2 . . . A 5 SER HB2 . 17635 1 45 . 1 1 5 5 SER HB3 H 1 3.897 0.005 . 2 . . . A 5 SER HB3 . 17635 1 46 . 1 1 5 5 SER C C 13 176.370 0.001 . 1 . . . A 5 SER C . 17635 1 47 . 1 1 5 5 SER CA C 13 60.846 0.039 . 1 . . . A 5 SER CA . 17635 1 48 . 1 1 5 5 SER CB C 13 63.136 0.019 . 1 . . . A 5 SER CB . 17635 1 49 . 1 1 5 5 SER N N 15 117.091 0.039 . 1 . . . A 5 SER N . 17635 1 50 . 1 1 6 6 ASP H H 1 8.218 0.005 . 1 . . . A 6 ASP H . 17635 1 51 . 1 1 6 6 ASP HA H 1 4.695 0.009 . 1 . . . A 6 ASP HA . 17635 1 52 . 1 1 6 6 ASP HB2 H 1 2.749 0.004 . 2 . . . A 6 ASP HB2 . 17635 1 53 . 1 1 6 6 ASP HB3 H 1 2.627 0.001 . 2 . . . A 6 ASP HB3 . 17635 1 54 . 1 1 6 6 ASP C C 13 175.048 0.000 . 1 . . . A 6 ASP C . 17635 1 55 . 1 1 6 6 ASP CA C 13 53.094 0.020 . 1 . . . A 6 ASP CA . 17635 1 56 . 1 1 6 6 ASP CB C 13 40.935 0.021 . 1 . . . A 6 ASP CB . 17635 1 57 . 1 1 6 6 ASP N N 15 119.436 0.038 . 1 . . . A 6 ASP N . 17635 1 58 . 1 1 7 7 ASN H H 1 7.734 0.006 . 1 . . . A 7 ASN H . 17635 1 59 . 1 1 7 7 ASN HA H 1 4.628 0.009 . 1 . . . A 7 ASN HA . 17635 1 60 . 1 1 7 7 ASN HB2 H 1 2.995 0.007 . 2 . . . A 7 ASN HB2 . 17635 1 61 . 1 1 7 7 ASN HB3 H 1 2.502 0.006 . 2 . . . A 7 ASN HB3 . 17635 1 62 . 1 1 7 7 ASN HD21 H 1 7.434 0.005 . 2 . . . A 7 ASN HD21 . 17635 1 63 . 1 1 7 7 ASN HD22 H 1 7.100 0.008 . 2 . . . A 7 ASN HD22 . 17635 1 64 . 1 1 7 7 ASN C C 13 176.539 0.000 . 1 . . . A 7 ASN C . 17635 1 65 . 1 1 7 7 ASN CA C 13 53.158 0.024 . 1 . . . A 7 ASN CA . 17635 1 66 . 1 1 7 7 ASN CB C 13 38.859 0.069 . 1 . . . A 7 ASN CB . 17635 1 67 . 1 1 7 7 ASN CG C 13 173.792 0.021 . 1 . . . A 7 ASN CG . 17635 1 68 . 1 1 7 7 ASN N N 15 119.696 0.043 . 1 . . . A 7 ASN N . 17635 1 69 . 1 1 7 7 ASN ND2 N 15 109.876 0.253 . 1 . . . A 7 ASN ND2 . 17635 1 70 . 1 1 8 8 ASN H H 1 8.350 0.005 . 1 . . . A 8 ASN H . 17635 1 71 . 1 1 8 8 ASN HA H 1 4.868 0.008 . 1 . . . A 8 ASN HA . 17635 1 72 . 1 1 8 8 ASN HB2 H 1 3.541 0.007 . 2 . . . A 8 ASN HB2 . 17635 1 73 . 1 1 8 8 ASN HB3 H 1 2.450 0.008 . 2 . . . A 8 ASN HB3 . 17635 1 74 . 1 1 8 8 ASN HD21 H 1 8.016 0.006 . 2 . . . A 8 ASN HD21 . 17635 1 75 . 1 1 8 8 ASN HD22 H 1 7.299 0.003 . 2 . . . A 8 ASN HD22 . 17635 1 76 . 1 1 8 8 ASN C C 13 175.327 0.000 . 1 . . . A 8 ASN C . 17635 1 77 . 1 1 8 8 ASN CA C 13 53.204 0.002 . 1 . . . A 8 ASN CA . 17635 1 78 . 1 1 8 8 ASN CB C 13 38.495 0.025 . 1 . . . A 8 ASN CB . 17635 1 79 . 1 1 8 8 ASN N N 15 119.436 0.060 . 1 . . . A 8 ASN N . 17635 1 80 . 1 1 8 8 ASN ND2 N 15 113.442 0.047 . 1 . . . A 8 ASN ND2 . 17635 1 81 . 1 1 9 9 THR H H 1 8.428 0.006 . 1 . . . A 9 THR H . 17635 1 82 . 1 1 9 9 THR HA H 1 5.557 0.010 . 1 . . . A 9 THR HA . 17635 1 83 . 1 1 9 9 THR HB H 1 4.119 0.003 . 1 . . . A 9 THR HB . 17635 1 84 . 1 1 9 9 THR HG21 H 1 1.157 0.006 . 1 . . . A 9 THR HG21 . 17635 1 85 . 1 1 9 9 THR HG22 H 1 1.157 0.006 . 1 . . . A 9 THR HG22 . 17635 1 86 . 1 1 9 9 THR HG23 H 1 1.157 0.006 . 1 . . . A 9 THR HG23 . 17635 1 87 . 1 1 9 9 THR C C 13 177.117 0.000 . 1 . . . A 9 THR C . 17635 1 88 . 1 1 9 9 THR CA C 13 62.314 0.045 . 1 . . . A 9 THR CA . 17635 1 89 . 1 1 9 9 THR CB C 13 71.225 0.049 . 1 . . . A 9 THR CB . 17635 1 90 . 1 1 9 9 THR CG2 C 13 21.208 0.084 . 1 . . . A 9 THR CG2 . 17635 1 91 . 1 1 9 9 THR N N 15 118.650 0.043 . 1 . . . A 9 THR N . 17635 1 92 . 1 1 10 10 ILE H H 1 8.770 0.005 . 1 . . . A 10 ILE H . 17635 1 93 . 1 1 10 10 ILE HA H 1 5.165 0.010 . 1 . . . A 10 ILE HA . 17635 1 94 . 1 1 10 10 ILE HB H 1 1.844 0.004 . 1 . . . A 10 ILE HB . 17635 1 95 . 1 1 10 10 ILE HG12 H 1 1.289 0.011 . 2 . . . A 10 ILE HG12 . 17635 1 96 . 1 1 10 10 ILE HG13 H 1 1.188 0.011 . 2 . . . . 10 ILE HG13 . 17635 1 97 . 1 1 10 10 ILE HG21 H 1 0.822 0.007 . 1 . . . A 10 ILE HG21 . 17635 1 98 . 1 1 10 10 ILE HG22 H 1 0.822 0.007 . 1 . . . A 10 ILE HG22 . 17635 1 99 . 1 1 10 10 ILE HG23 H 1 0.822 0.007 . 1 . . . A 10 ILE HG23 . 17635 1 100 . 1 1 10 10 ILE HD11 H 1 0.249 0.006 . 1 . . . A 10 ILE HD11 . 17635 1 101 . 1 1 10 10 ILE HD12 H 1 0.249 0.006 . 1 . . . A 10 ILE HD12 . 17635 1 102 . 1 1 10 10 ILE HD13 H 1 0.249 0.006 . 1 . . . A 10 ILE HD13 . 17635 1 103 . 1 1 10 10 ILE C C 13 176.837 0.000 . 1 . . . A 10 ILE C . 17635 1 104 . 1 1 10 10 ILE CA C 13 59.298 0.066 . 1 . . . A 10 ILE CA . 17635 1 105 . 1 1 10 10 ILE CB C 13 39.880 0.065 . 1 . . . A 10 ILE CB . 17635 1 106 . 1 1 10 10 ILE CG1 C 13 26.332 0.022 . 1 . . . A 10 ILE CG1 . 17635 1 107 . 1 1 10 10 ILE CG2 C 13 19.066 0.044 . 1 . . . A 10 ILE CG2 . 17635 1 108 . 1 1 10 10 ILE CD1 C 13 13.885 0.046 . 1 . . . A 10 ILE CD1 . 17635 1 109 . 1 1 10 10 ILE N N 15 118.556 0.041 . 1 . . . A 10 ILE N . 17635 1 110 . 1 1 11 11 PHE H H 1 9.548 0.004 . 1 . . . A 11 PHE H . 17635 1 111 . 1 1 11 11 PHE HA H 1 5.420 0.005 . 1 . . . A 11 PHE HA . 17635 1 112 . 1 1 11 11 PHE HB2 H 1 2.825 0.013 . 2 . . . A 11 PHE HB2 . 17635 1 113 . 1 1 11 11 PHE HB3 H 1 2.689 0.010 . 2 . . . A 11 PHE HB3 . 17635 1 114 . 1 1 11 11 PHE HD1 H 1 7.114 0.009 . 3 . . . A 11 PHE HD1 . 17635 1 115 . 1 1 11 11 PHE C C 13 177.066 0.000 . 1 . . . A 11 PHE C . 17635 1 116 . 1 1 11 11 PHE CA C 13 55.362 0.077 . 1 . . . A 11 PHE CA . 17635 1 117 . 1 1 11 11 PHE CB C 13 41.868 0.033 . 1 . . . A 11 PHE CB . 17635 1 118 . 1 1 11 11 PHE CD1 C 13 131.670 0.222 . 3 . . . A 11 PHE CD1 . 17635 1 119 . 1 1 11 11 PHE N N 15 123.798 0.040 . 1 . . . A 11 PHE N . 17635 1 120 . 1 1 12 12 VAL H H 1 8.940 0.004 . 1 . . . A 12 VAL H . 17635 1 121 . 1 1 12 12 VAL HA H 1 4.958 0.003 . 1 . . . A 12 VAL HA . 17635 1 122 . 1 1 12 12 VAL HB H 1 1.641 0.007 . 1 . . . A 12 VAL HB . 17635 1 123 . 1 1 12 12 VAL HG11 H 1 0.863 0.013 . 2 . . . A 12 VAL HG11 . 17635 1 124 . 1 1 12 12 VAL HG12 H 1 0.863 0.013 . 2 . . . A 12 VAL HG12 . 17635 1 125 . 1 1 12 12 VAL HG13 H 1 0.863 0.013 . 2 . . . A 12 VAL HG13 . 17635 1 126 . 1 1 12 12 VAL HG21 H 1 0.683 0.008 . 2 . . . A 12 VAL HG21 . 17635 1 127 . 1 1 12 12 VAL HG22 H 1 0.683 0.008 . 2 . . . A 12 VAL HG22 . 17635 1 128 . 1 1 12 12 VAL HG23 H 1 0.683 0.008 . 2 . . . A 12 VAL HG23 . 17635 1 129 . 1 1 12 12 VAL C C 13 176.965 0.002 . 1 . . . A 12 VAL C . 17635 1 130 . 1 1 12 12 VAL CA C 13 59.835 0.023 . 1 . . . A 12 VAL CA . 17635 1 131 . 1 1 12 12 VAL CB C 13 34.800 0.040 . 1 . . . A 12 VAL CB . 17635 1 132 . 1 1 12 12 VAL CG1 C 13 22.228 0.169 . 2 . . . A 12 VAL CG1 . 17635 1 133 . 1 1 12 12 VAL CG2 C 13 21.742 0.008 . 2 . . . A 12 VAL CG2 . 17635 1 134 . 1 1 12 12 VAL N N 15 127.993 0.036 . 1 . . . A 12 VAL N . 17635 1 135 . 1 1 13 13 GLN H H 1 8.747 0.006 . 1 . . . A 13 GLN H . 17635 1 136 . 1 1 13 13 GLN HA H 1 4.779 0.006 . 1 . . . A 13 GLN HA . 17635 1 137 . 1 1 13 13 GLN HB2 H 1 2.124 0.008 . 2 . . . A 13 GLN HB2 . 17635 1 138 . 1 1 13 13 GLN HB3 H 1 1.762 0.014 . 2 . . . A 13 GLN HB3 . 17635 1 139 . 1 1 13 13 GLN HG2 H 1 2.002 0.005 . 2 . . . A 13 GLN HG2 . 17635 1 140 . 1 1 13 13 GLN HG3 H 1 1.644 0.007 . 2 . . . . 13 GLN HG3 . 17635 1 141 . 1 1 13 13 GLN HE21 H 1 7.958 0.002 . 2 . . . A 13 GLN HE21 . 17635 1 142 . 1 1 13 13 GLN HE22 H 1 7.011 0.012 . 2 . . . A 13 GLN HE22 . 17635 1 143 . 1 1 13 13 GLN C C 13 175.631 0.000 . 1 . . . A 13 GLN C . 17635 1 144 . 1 1 13 13 GLN CA C 13 54.110 0.033 . 1 . . . A 13 GLN CA . 17635 1 145 . 1 1 13 13 GLN CB C 13 34.132 0.051 . 1 . . . A 13 GLN CB . 17635 1 146 . 1 1 13 13 GLN CG C 13 35.472 0.054 . 1 . . . A 13 GLN CG . 17635 1 147 . 1 1 13 13 GLN CD C 13 181.893 0.000 . 1 . . . A 13 GLN CD . 17635 1 148 . 1 1 13 13 GLN N N 15 122.289 0.039 . 1 . . . A 13 GLN N . 17635 1 149 . 1 1 13 13 GLN NE2 N 15 113.450 0.215 . 1 . . . A 13 GLN NE2 . 17635 1 150 . 1 1 14 14 GLY H H 1 8.236 0.004 . 1 . . . A 14 GLY H . 17635 1 151 . 1 1 14 14 GLY HA2 H 1 4.536 0.003 . 2 . . . A 14 GLY HA2 . 17635 1 152 . 1 1 14 14 GLY HA3 H 1 3.742 0.007 . 2 . . . A 14 GLY HA3 . 17635 1 153 . 1 1 14 14 GLY C C 13 175.436 0.000 . 1 . . . A 14 GLY C . 17635 1 154 . 1 1 14 14 GLY CA C 13 45.430 0.039 . 1 . . . A 14 GLY CA . 17635 1 155 . 1 1 14 14 GLY N N 15 109.212 0.055 . 1 . . . A 14 GLY N . 17635 1 156 . 1 1 15 15 LEU H H 1 8.442 0.007 . 1 . . . A 15 LEU H . 17635 1 157 . 1 1 15 15 LEU HA H 1 3.706 0.005 . 1 . . . A 15 LEU HA . 17635 1 158 . 1 1 15 15 LEU HB2 H 1 1.157 0.010 . 2 . . . A 15 LEU HB2 . 17635 1 159 . 1 1 15 15 LEU HB3 H 1 1.174 0.001 . 2 . . . A 15 LEU HB3 . 17635 1 160 . 1 1 15 15 LEU HG H 1 1.116 0.009 . 1 . . . A 15 LEU HG . 17635 1 161 . 1 1 15 15 LEU HD11 H 1 -0.157 0.003 . 2 . . . A 15 LEU HD11 . 17635 1 162 . 1 1 15 15 LEU HD12 H 1 -0.157 0.003 . 2 . . . A 15 LEU HD12 . 17635 1 163 . 1 1 15 15 LEU HD13 H 1 -0.157 0.003 . 2 . . . A 15 LEU HD13 . 17635 1 164 . 1 1 15 15 LEU HD21 H 1 0.294 0.006 . 2 . . . A 15 LEU HD21 . 17635 1 165 . 1 1 15 15 LEU HD22 H 1 0.294 0.006 . 2 . . . A 15 LEU HD22 . 17635 1 166 . 1 1 15 15 LEU HD23 H 1 0.294 0.006 . 2 . . . A 15 LEU HD23 . 17635 1 167 . 1 1 15 15 LEU C C 13 174.111 0.000 . 1 . . . A 15 LEU C . 17635 1 168 . 1 1 15 15 LEU CA C 13 55.718 0.078 . 1 . . . A 15 LEU CA . 17635 1 169 . 1 1 15 15 LEU CB C 13 42.433 0.031 . 1 . . . A 15 LEU CB . 17635 1 170 . 1 1 15 15 LEU CG C 13 26.412 0.026 . 1 . . . A 15 LEU CG . 17635 1 171 . 1 1 15 15 LEU CD1 C 13 21.734 0.035 . 2 . . . A 15 LEU CD1 . 17635 1 172 . 1 1 15 15 LEU CD2 C 13 26.404 0.035 . 2 . . . A 15 LEU CD2 . 17635 1 173 . 1 1 15 15 LEU N N 15 117.824 0.043 . 1 . . . A 15 LEU N . 17635 1 174 . 1 1 16 16 GLY H H 1 8.006 0.006 . 1 . . . A 16 GLY H . 17635 1 175 . 1 1 16 16 GLY HA2 H 1 4.095 0.011 . 2 . . . A 16 GLY HA2 . 17635 1 176 . 1 1 16 16 GLY HA3 H 1 3.791 0.006 . 2 . . . A 16 GLY HA3 . 17635 1 177 . 1 1 16 16 GLY C C 13 177.771 0.000 . 1 . . . A 16 GLY C . 17635 1 178 . 1 1 16 16 GLY CA C 13 44.094 0.026 . 1 . . . A 16 GLY CA . 17635 1 179 . 1 1 16 16 GLY N N 15 105.063 0.065 . 1 . . . A 16 GLY N . 17635 1 180 . 1 1 17 17 GLU H H 1 8.134 0.007 . 1 . . . A 17 GLU H . 17635 1 181 . 1 1 17 17 GLU HA H 1 4.119 0.005 . 1 . . . A 17 GLU HA . 17635 1 182 . 1 1 17 17 GLU HB2 H 1 2.045 0.001 . 2 . . . A 17 GLU HB2 . 17635 1 183 . 1 1 17 17 GLU HB3 H 1 2.012 0.010 . 2 . . . A 17 GLU HB3 . 17635 1 184 . 1 1 17 17 GLU HG2 H 1 2.287 0.001 . 2 . . . A 17 GLU HG2 . 17635 1 185 . 1 1 17 17 GLU C C 13 173.937 0.000 . 1 . . . A 17 GLU C . 17635 1 186 . 1 1 17 17 GLU CA C 13 57.281 0.064 . 1 . . . A 17 GLU CA . 17635 1 187 . 1 1 17 17 GLU CB C 13 30.436 0.088 . 1 . . . A 17 GLU CB . 17635 1 188 . 1 1 17 17 GLU CG C 13 36.210 0.027 . 1 . . . A 17 GLU CG . 17635 1 189 . 1 1 17 17 GLU N N 15 113.781 0.047 . 1 . . . A 17 GLU N . 17635 1 190 . 1 1 18 18 ASN H H 1 8.407 0.005 . 1 . . . A 18 ASN H . 17635 1 191 . 1 1 18 18 ASN HA H 1 4.941 0.004 . 1 . . . A 18 ASN HA . 17635 1 192 . 1 1 18 18 ASN HB2 H 1 2.910 0.005 . 2 . . . A 18 ASN HB2 . 17635 1 193 . 1 1 18 18 ASN HB3 H 1 2.733 0.006 . 2 . . . A 18 ASN HB3 . 17635 1 194 . 1 1 18 18 ASN HD21 H 1 7.639 0.008 . 2 . . . A 18 ASN HD21 . 17635 1 195 . 1 1 18 18 ASN HD22 H 1 6.988 0.009 . 2 . . . A 18 ASN HD22 . 17635 1 196 . 1 1 18 18 ASN C C 13 175.900 0.000 . 1 . . . A 18 ASN C . 17635 1 197 . 1 1 18 18 ASN CA C 13 52.478 0.048 . 1 . . . A 18 ASN CA . 17635 1 198 . 1 1 18 18 ASN CB C 13 38.485 0.063 . 1 . . . A 18 ASN CB . 17635 1 199 . 1 1 18 18 ASN CG C 13 172.618 0.008 . 1 . . . A 18 ASN CG . 17635 1 200 . 1 1 18 18 ASN N N 15 116.660 0.040 . 1 . . . A 18 ASN N . 17635 1 201 . 1 1 18 18 ASN ND2 N 15 113.323 0.261 . 1 . . . A 18 ASN ND2 . 17635 1 202 . 1 1 19 19 VAL H H 1 6.855 0.007 . 1 . . . A 19 VAL H . 17635 1 203 . 1 1 19 19 VAL HA H 1 4.152 0.004 . 1 . . . A 19 VAL HA . 17635 1 204 . 1 1 19 19 VAL HB H 1 1.997 0.004 . 1 . . . A 19 VAL HB . 17635 1 205 . 1 1 19 19 VAL HG11 H 1 0.821 0.006 . 2 . . . A 19 VAL HG11 . 17635 1 206 . 1 1 19 19 VAL HG12 H 1 0.821 0.006 . 2 . . . A 19 VAL HG12 . 17635 1 207 . 1 1 19 19 VAL HG13 H 1 0.821 0.006 . 2 . . . A 19 VAL HG13 . 17635 1 208 . 1 1 19 19 VAL HG21 H 1 0.796 0.002 . 2 . . . A 19 VAL HG21 . 17635 1 209 . 1 1 19 19 VAL HG22 H 1 0.796 0.002 . 2 . . . A 19 VAL HG22 . 17635 1 210 . 1 1 19 19 VAL HG23 H 1 0.796 0.002 . 2 . . . A 19 VAL HG23 . 17635 1 211 . 1 1 19 19 VAL C C 13 177.655 0.000 . 1 . . . A 19 VAL C . 17635 1 212 . 1 1 19 19 VAL CA C 13 61.877 0.024 . 1 . . . A 19 VAL CA . 17635 1 213 . 1 1 19 19 VAL CB C 13 32.513 0.054 . 1 . . . A 19 VAL CB . 17635 1 214 . 1 1 19 19 VAL CG1 C 13 22.736 0.043 . 2 . . . A 19 VAL CG1 . 17635 1 215 . 1 1 19 19 VAL CG2 C 13 21.302 0.059 . 2 . . . A 19 VAL CG2 . 17635 1 216 . 1 1 19 19 VAL N N 15 118.323 0.032 . 1 . . . A 19 VAL N . 17635 1 217 . 1 1 20 20 THR H H 1 7.328 0.008 . 1 . . . A 20 THR H . 17635 1 218 . 1 1 20 20 THR HA H 1 4.719 0.013 . 1 . . . A 20 THR HA . 17635 1 219 . 1 1 20 20 THR HB H 1 4.691 0.005 . 1 . . . A 20 THR HB . 17635 1 220 . 1 1 20 20 THR HG21 H 1 1.268 0.008 . 1 . . . A 20 THR HG21 . 17635 1 221 . 1 1 20 20 THR HG22 H 1 1.268 0.008 . 1 . . . A 20 THR HG22 . 17635 1 222 . 1 1 20 20 THR HG23 H 1 1.268 0.008 . 1 . . . A 20 THR HG23 . 17635 1 223 . 1 1 20 20 THR C C 13 175.266 0.000 . 1 . . . A 20 THR C . 17635 1 224 . 1 1 20 20 THR CA C 13 58.698 0.019 . 1 . . . A 20 THR CA . 17635 1 225 . 1 1 20 20 THR CB C 13 72.948 0.024 . 1 . . . A 20 THR CB . 17635 1 226 . 1 1 20 20 THR CG2 C 13 21.783 0.030 . 1 . . . A 20 THR CG2 . 17635 1 227 . 1 1 20 20 THR N N 15 111.636 0.054 . 1 . . . A 20 THR N . 17635 1 228 . 1 1 21 21 ILE H H 1 9.074 0.006 . 1 . . . A 21 ILE H . 17635 1 229 . 1 1 21 21 ILE HA H 1 3.518 0.005 . 1 . . . A 21 ILE HA . 17635 1 230 . 1 1 21 21 ILE HB H 1 1.864 0.007 . 1 . . . A 21 ILE HB . 17635 1 231 . 1 1 21 21 ILE HG12 H 1 1.664 0.008 . 2 . . . A 21 ILE HG12 . 17635 1 232 . 1 1 21 21 ILE HG13 H 1 1.162 0.008 . 2 . . . . 21 ILE HG13 . 17635 1 233 . 1 1 21 21 ILE HG21 H 1 0.933 0.004 . 1 . . . A 21 ILE HG21 . 17635 1 234 . 1 1 21 21 ILE HG22 H 1 0.933 0.004 . 1 . . . A 21 ILE HG22 . 17635 1 235 . 1 1 21 21 ILE HG23 H 1 0.933 0.004 . 1 . . . A 21 ILE HG23 . 17635 1 236 . 1 1 21 21 ILE HD11 H 1 0.948 0.003 . 1 . . . A 21 ILE HD11 . 17635 1 237 . 1 1 21 21 ILE HD12 H 1 0.948 0.003 . 1 . . . A 21 ILE HD12 . 17635 1 238 . 1 1 21 21 ILE HD13 H 1 0.948 0.003 . 1 . . . A 21 ILE HD13 . 17635 1 239 . 1 1 21 21 ILE C C 13 173.198 0.000 . 1 . . . A 21 ILE C . 17635 1 240 . 1 1 21 21 ILE CA C 13 65.772 0.032 . 1 . . . A 21 ILE CA . 17635 1 241 . 1 1 21 21 ILE CB C 13 37.583 0.031 . 1 . . . A 21 ILE CB . 17635 1 242 . 1 1 21 21 ILE CG1 C 13 28.974 0.027 . 1 . . . A 21 ILE CG1 . 17635 1 243 . 1 1 21 21 ILE CG2 C 13 17.289 0.036 . 1 . . . A 21 ILE CG2 . 17635 1 244 . 1 1 21 21 ILE CD1 C 13 12.950 0.017 . 1 . . . A 21 ILE CD1 . 17635 1 245 . 1 1 21 21 ILE N N 15 122.147 0.021 . 1 . . . A 21 ILE N . 17635 1 246 . 1 1 22 22 GLU H H 1 8.814 0.006 . 1 . . . A 22 GLU H . 17635 1 247 . 1 1 22 22 GLU HA H 1 3.986 0.005 . 1 . . . A 22 GLU HA . 17635 1 248 . 1 1 22 22 GLU HB2 H 1 2.083 0.007 . 2 . . . A 22 GLU HB2 . 17635 1 249 . 1 1 22 22 GLU HB3 H 1 1.983 0.006 . 2 . . . A 22 GLU HB3 . 17635 1 250 . 1 1 22 22 GLU HG2 H 1 2.476 0.007 . 2 . . . A 22 GLU HG2 . 17635 1 251 . 1 1 22 22 GLU HG3 H 1 2.259 0.008 . 2 . . . . 22 GLU HG3 . 17635 1 252 . 1 1 22 22 GLU C C 13 171.799 0.000 . 1 . . . A 22 GLU C . 17635 1 253 . 1 1 22 22 GLU CA C 13 60.613 0.038 . 1 . . . A 22 GLU CA . 17635 1 254 . 1 1 22 22 GLU CB C 13 28.791 0.023 . 1 . . . A 22 GLU CB . 17635 1 255 . 1 1 22 22 GLU CG C 13 37.142 0.044 . 1 . . . A 22 GLU CG . 17635 1 256 . 1 1 22 22 GLU N N 15 118.154 0.032 . 1 . . . A 22 GLU N . 17635 1 257 . 1 1 23 23 SER H H 1 8.236 0.005 . 1 . . . A 23 SER H . 17635 1 258 . 1 1 23 23 SER HA H 1 4.384 0.006 . 1 . . . A 23 SER HA . 17635 1 259 . 1 1 23 23 SER HB2 H 1 4.075 0.006 . 2 . . . A 23 SER HB2 . 17635 1 260 . 1 1 23 23 SER HB3 H 1 4.009 0.010 . 2 . . . A 23 SER HB3 . 17635 1 261 . 1 1 23 23 SER C C 13 172.447 0.000 . 1 . . . A 23 SER C . 17635 1 262 . 1 1 23 23 SER CA C 13 61.239 0.019 . 1 . . . A 23 SER CA . 17635 1 263 . 1 1 23 23 SER CB C 13 62.838 0.027 . 1 . . . A 23 SER CB . 17635 1 264 . 1 1 23 23 SER N N 15 115.921 0.033 . 1 . . . A 23 SER N . 17635 1 265 . 1 1 24 24 VAL H H 1 7.973 0.005 . 1 . . . A 24 VAL H . 17635 1 266 . 1 1 24 24 VAL HA H 1 3.748 0.004 . 1 . . . A 24 VAL HA . 17635 1 267 . 1 1 24 24 VAL HB H 1 2.202 0.006 . 1 . . . A 24 VAL HB . 17635 1 268 . 1 1 24 24 VAL HG11 H 1 0.853 0.008 . 2 . . . A 24 VAL HG11 . 17635 1 269 . 1 1 24 24 VAL HG12 H 1 0.853 0.008 . 2 . . . A 24 VAL HG12 . 17635 1 270 . 1 1 24 24 VAL HG13 H 1 0.853 0.008 . 2 . . . A 24 VAL HG13 . 17635 1 271 . 1 1 24 24 VAL HG21 H 1 0.833 0.010 . 2 . . . A 24 VAL HG21 . 17635 1 272 . 1 1 24 24 VAL HG22 H 1 0.833 0.010 . 2 . . . A 24 VAL HG22 . 17635 1 273 . 1 1 24 24 VAL HG23 H 1 0.833 0.010 . 2 . . . A 24 VAL HG23 . 17635 1 274 . 1 1 24 24 VAL C C 13 173.016 0.000 . 1 . . . A 24 VAL C . 17635 1 275 . 1 1 24 24 VAL CA C 13 67.254 0.022 . 1 . . . A 24 VAL CA . 17635 1 276 . 1 1 24 24 VAL CB C 13 31.533 0.057 . 1 . . . A 24 VAL CB . 17635 1 277 . 1 1 24 24 VAL CG1 C 13 24.328 0.104 . 2 . . . A 24 VAL CG1 . 17635 1 278 . 1 1 24 24 VAL CG2 C 13 22.833 0.018 . 2 . . . A 24 VAL CG2 . 17635 1 279 . 1 1 24 24 VAL N N 15 124.867 0.024 . 1 . . . A 24 VAL N . 17635 1 280 . 1 1 25 25 ALA H H 1 8.695 0.006 . 1 . . . A 25 ALA H . 17635 1 281 . 1 1 25 25 ALA HA H 1 3.899 0.008 . 1 . . . A 25 ALA HA . 17635 1 282 . 1 1 25 25 ALA HB1 H 1 1.464 0.005 . 1 . . . . 25 ALA HB1 . 17635 1 283 . 1 1 25 25 ALA HB2 H 1 1.464 0.005 . 1 . . . A 25 ALA HB2 . 17635 1 284 . 1 1 25 25 ALA HB3 H 1 1.464 0.005 . 1 . . . A 25 ALA HB3 . 17635 1 285 . 1 1 25 25 ALA C C 13 171.061 0.000 . 1 . . . A 25 ALA C . 17635 1 286 . 1 1 25 25 ALA CA C 13 55.695 0.040 . 1 . . . A 25 ALA CA . 17635 1 287 . 1 1 25 25 ALA CB C 13 17.738 0.016 . 1 . . . A 25 ALA CB . 17635 1 288 . 1 1 25 25 ALA N N 15 123.198 0.043 . 1 . . . A 25 ALA N . 17635 1 289 . 1 1 26 26 ASP H H 1 8.312 0.003 . 1 . . . A 26 ASP H . 17635 1 290 . 1 1 26 26 ASP HA H 1 4.323 0.009 . 1 . . . A 26 ASP HA . 17635 1 291 . 1 1 26 26 ASP HB2 H 1 2.759 0.004 . 2 . . . A 26 ASP HB2 . 17635 1 292 . 1 1 26 26 ASP HB3 H 1 2.630 0.010 . 2 . . . A 26 ASP HB3 . 17635 1 293 . 1 1 26 26 ASP C C 13 173.108 0.000 . 1 . . . A 26 ASP C . 17635 1 294 . 1 1 26 26 ASP CA C 13 57.323 0.000 . 1 . . . A 26 ASP CA . 17635 1 295 . 1 1 26 26 ASP CB C 13 41.052 0.042 . 1 . . . A 26 ASP CB . 17635 1 296 . 1 1 26 26 ASP N N 15 115.503 0.062 . 1 . . . A 26 ASP N . 17635 1 297 . 1 1 27 27 TYR H H 1 7.533 0.005 . 1 . . . A 27 TYR H . 17635 1 298 . 1 1 27 27 TYR HA H 1 4.200 0.004 . 1 . . . A 27 TYR HA . 17635 1 299 . 1 1 27 27 TYR HB2 H 1 3.083 0.004 . 2 . . . A 27 TYR HB2 . 17635 1 300 . 1 1 27 27 TYR HB3 H 1 2.805 0.009 . 2 . . . A 27 TYR HB3 . 17635 1 301 . 1 1 27 27 TYR HD1 H 1 5.836 0.004 . 3 . . . A 27 TYR HD2 . 17635 1 302 . 1 1 27 27 TYR HE1 H 1 6.210 0.001 . 3 . . . A 27 TYR HE2 . 17635 1 303 . 1 1 27 27 TYR C C 13 172.908 0.000 . 1 . . . A 27 TYR C . 17635 1 304 . 1 1 27 27 TYR CA C 13 61.016 0.030 . 1 . . . A 27 TYR CA . 17635 1 305 . 1 1 27 27 TYR CB C 13 39.932 0.079 . 1 . . . A 27 TYR CB . 17635 1 306 . 1 1 27 27 TYR CD1 C 13 132.545 0.135 . 3 . . . A 27 TYR CD2 . 17635 1 307 . 1 1 27 27 TYR CE1 C 13 119.161 0.116 . 3 . . . A 27 TYR CE2 . 17635 1 308 . 1 1 27 27 TYR N N 15 119.224 0.046 . 1 . . . A 27 TYR N . 17635 1 309 . 1 1 28 28 PHE H H 1 7.974 0.006 . 1 . . . A 28 PHE H . 17635 1 310 . 1 1 28 28 PHE HA H 1 4.330 0.006 . 1 . . . A 28 PHE HA . 17635 1 311 . 1 1 28 28 PHE HB2 H 1 3.419 0.005 . 2 . . . A 28 PHE HB2 . 17635 1 312 . 1 1 28 28 PHE HB3 H 1 2.772 0.006 . 2 . . . A 28 PHE HB3 . 17635 1 313 . 1 1 28 28 PHE HD1 H 1 7.419 0.009 . 3 . . . A 28 PHE HD2 . 17635 1 314 . 1 1 28 28 PHE HE1 H 1 6.880 0.013 . 3 . . . A 28 PHE HE2 . 17635 1 315 . 1 1 28 28 PHE HZ H 1 6.980 0.000 . 1 . . . A 28 PHE HZ . 17635 1 316 . 1 1 28 28 PHE C C 13 173.082 0.000 . 1 . . . A 28 PHE C . 17635 1 317 . 1 1 28 28 PHE CA C 13 61.784 0.046 . 1 . . . A 28 PHE CA . 17635 1 318 . 1 1 28 28 PHE CB C 13 40.003 0.033 . 1 . . . A 28 PHE CB . 17635 1 319 . 1 1 28 28 PHE CD1 C 13 132.251 0.083 . 3 . . . A 28 PHE CD2 . 17635 1 320 . 1 1 28 28 PHE CE1 C 13 130.528 0.472 . 3 . . . A 28 PHE CE2 . 17635 1 321 . 1 1 28 28 PHE N N 15 112.595 0.021 . 1 . . . A 28 PHE N . 17635 1 322 . 1 1 29 29 LYS H H 1 8.325 0.003 . 1 . . . A 29 LYS H . 17635 1 323 . 1 1 29 29 LYS HA H 1 4.917 0.006 . 1 . . . A 29 LYS HA . 17635 1 324 . 1 1 29 29 LYS HB2 H 1 2.164 0.007 . 2 . . . A 29 LYS HB2 . 17635 1 325 . 1 1 29 29 LYS HB3 H 1 2.048 0.007 . 2 . . . A 29 LYS HB3 . 17635 1 326 . 1 1 29 29 LYS HG2 H 1 1.767 0.005 . 2 . . . A 29 LYS HG2 . 17635 1 327 . 1 1 29 29 LYS HG3 H 1 1.267 0.006 . 2 . . . . 29 LYS HG3 . 17635 1 328 . 1 1 29 29 LYS HD2 H 1 1.730 0.009 . 2 . . . A 29 LYS HD2 . 17635 1 329 . 1 1 29 29 LYS HE2 H 1 3.022 0.005 . 2 . . . A 29 LYS HE2 . 17635 1 330 . 1 1 29 29 LYS C C 13 173.682 0.000 . 1 . . . A 29 LYS C . 17635 1 331 . 1 1 29 29 LYS CA C 13 58.280 0.028 . 1 . . . A 29 LYS CA . 17635 1 332 . 1 1 29 29 LYS CB C 13 31.291 0.060 . 1 . . . A 29 LYS CB . 17635 1 333 . 1 1 29 29 LYS CG C 13 24.017 0.050 . 1 . . . A 29 LYS CG . 17635 1 334 . 1 1 29 29 LYS CD C 13 29.955 0.072 . 1 . . . A 29 LYS CD . 17635 1 335 . 1 1 29 29 LYS CE C 13 42.181 0.036 . 1 . . . A 29 LYS CE . 17635 1 336 . 1 1 29 29 LYS N N 15 118.820 0.054 . 1 . . . A 29 LYS N . 17635 1 337 . 1 1 30 30 GLN H H 1 7.518 0.004 . 1 . . . A 30 GLN H . 17635 1 338 . 1 1 30 30 GLN HA H 1 4.135 0.008 . 1 . . . A 30 GLN HA . 17635 1 339 . 1 1 30 30 GLN HB2 H 1 2.112 0.011 . 2 . . . A 30 GLN HB2 . 17635 1 340 . 1 1 30 30 GLN HB3 H 1 2.028 0.011 . 2 . . . A 30 GLN HB3 . 17635 1 341 . 1 1 30 30 GLN HG2 H 1 2.427 0.006 . 2 . . . A 30 GLN HG2 . 17635 1 342 . 1 1 30 30 GLN HG3 H 1 2.313 0.007 . 2 . . . . 30 GLN HG3 . 17635 1 343 . 1 1 30 30 GLN HE21 H 1 7.632 0.003 . 2 . . . A 30 GLN HE21 . 17635 1 344 . 1 1 30 30 GLN HE22 H 1 6.793 0.003 . 2 . . . A 30 GLN HE22 . 17635 1 345 . 1 1 30 30 GLN C C 13 173.790 0.000 . 1 . . . A 30 GLN C . 17635 1 346 . 1 1 30 30 GLN CA C 13 57.546 0.074 . 1 . . . A 30 GLN CA . 17635 1 347 . 1 1 30 30 GLN CB C 13 29.898 0.055 . 1 . . . A 30 GLN CB . 17635 1 348 . 1 1 30 30 GLN CG C 13 34.376 0.033 . 1 . . . A 30 GLN CG . 17635 1 349 . 1 1 30 30 GLN CD C 13 182.286 0.011 . 1 . . . A 30 GLN CD . 17635 1 350 . 1 1 30 30 GLN N N 15 116.232 0.043 . 1 . . . A 30 GLN N . 17635 1 351 . 1 1 30 30 GLN NE2 N 15 111.886 0.283 . 1 . . . A 30 GLN NE2 . 17635 1 352 . 1 1 31 31 ILE H H 1 7.809 0.004 . 1 . . . A 31 ILE H . 17635 1 353 . 1 1 31 31 ILE HA H 1 4.239 0.007 . 1 . . . A 31 ILE HA . 17635 1 354 . 1 1 31 31 ILE HB H 1 1.844 0.004 . 1 . . . A 31 ILE HB . 17635 1 355 . 1 1 31 31 ILE HG12 H 1 1.368 0.007 . 2 . . . A 31 ILE HG12 . 17635 1 356 . 1 1 31 31 ILE HG13 H 1 1.175 0.009 . 2 . . . . 31 ILE HG13 . 17635 1 357 . 1 1 31 31 ILE HG21 H 1 0.862 0.005 . 1 . . . A 31 ILE HG21 . 17635 1 358 . 1 1 31 31 ILE HG22 H 1 0.862 0.005 . 1 . . . A 31 ILE HG22 . 17635 1 359 . 1 1 31 31 ILE HG23 H 1 0.862 0.005 . 1 . . . A 31 ILE HG23 . 17635 1 360 . 1 1 31 31 ILE HD11 H 1 0.345 0.005 . 1 . . . A 31 ILE HD11 . 17635 1 361 . 1 1 31 31 ILE HD12 H 1 0.345 0.005 . 1 . . . A 31 ILE HD12 . 17635 1 362 . 1 1 31 31 ILE HD13 H 1 0.345 0.005 . 1 . . . A 31 ILE HD13 . 17635 1 363 . 1 1 31 31 ILE C C 13 175.599 0.000 . 1 . . . A 31 ILE C . 17635 1 364 . 1 1 31 31 ILE CA C 13 58.221 0.056 . 1 . . . A 31 ILE CA . 17635 1 365 . 1 1 31 31 ILE CB C 13 40.334 0.053 . 1 . . . A 31 ILE CB . 17635 1 366 . 1 1 31 31 ILE CG1 C 13 29.685 0.037 . 1 . . . A 31 ILE CG1 . 17635 1 367 . 1 1 31 31 ILE CG2 C 13 19.320 0.058 . 1 . . . A 31 ILE CG2 . 17635 1 368 . 1 1 31 31 ILE CD1 C 13 12.038 0.029 . 1 . . . A 31 ILE CD1 . 17635 1 369 . 1 1 31 31 ILE N N 15 116.489 0.041 . 1 . . . A 31 ILE N . 17635 1 370 . 1 1 32 32 GLY H H 1 7.344 0.003 . 1 . . . A 32 GLY H . 17635 1 371 . 1 1 32 32 GLY HA2 H 1 4.082 0.009 . 2 . . . A 32 GLY HA2 . 17635 1 372 . 1 1 32 32 GLY HA3 H 1 3.901 0.007 . 2 . . . A 32 GLY HA3 . 17635 1 373 . 1 1 32 32 GLY C C 13 180.182 0.000 . 1 . . . A 32 GLY C . 17635 1 374 . 1 1 32 32 GLY CA C 13 44.994 0.025 . 1 . . . A 32 GLY CA . 17635 1 375 . 1 1 32 32 GLY N N 15 107.416 0.037 . 1 . . . A 32 GLY N . 17635 1 376 . 1 1 33 33 ILE H H 1 8.173 0.006 . 1 . . . A 33 ILE H . 17635 1 377 . 1 1 33 33 ILE HA H 1 4.089 0.003 . 1 . . . A 33 ILE HA . 17635 1 378 . 1 1 33 33 ILE HB H 1 1.824 0.007 . 1 . . . A 33 ILE HB . 17635 1 379 . 1 1 33 33 ILE HG12 H 1 1.693 0.006 . 2 . . . A 33 ILE HG12 . 17635 1 380 . 1 1 33 33 ILE HG13 H 1 1.282 0.009 . 2 . . . . 33 ILE HG13 . 17635 1 381 . 1 1 33 33 ILE HG21 H 1 0.885 0.005 . 1 . . . A 33 ILE HG21 . 17635 1 382 . 1 1 33 33 ILE HG22 H 1 0.885 0.005 . 1 . . . A 33 ILE HG22 . 17635 1 383 . 1 1 33 33 ILE HG23 H 1 0.885 0.005 . 1 . . . A 33 ILE HG23 . 17635 1 384 . 1 1 33 33 ILE HD11 H 1 0.916 0.006 . 1 . . . A 33 ILE HD11 . 17635 1 385 . 1 1 33 33 ILE HD12 H 1 0.916 0.006 . 1 . . . A 33 ILE HD12 . 17635 1 386 . 1 1 33 33 ILE HD13 H 1 0.916 0.006 . 1 . . . A 33 ILE HD13 . 17635 1 387 . 1 1 33 33 ILE C C 13 173.301 0.000 . 1 . . . A 33 ILE C . 17635 1 388 . 1 1 33 33 ILE CA C 13 61.641 0.081 . 1 . . . A 33 ILE CA . 17635 1 389 . 1 1 33 33 ILE CB C 13 38.659 0.046 . 1 . . . A 33 ILE CB . 17635 1 390 . 1 1 33 33 ILE CG1 C 13 28.001 0.024 . 1 . . . A 33 ILE CG1 . 17635 1 391 . 1 1 33 33 ILE CG2 C 13 17.709 0.050 . 1 . . . A 33 ILE CG2 . 17635 1 392 . 1 1 33 33 ILE CD1 C 13 12.292 0.017 . 1 . . . A 33 ILE CD1 . 17635 1 393 . 1 1 33 33 ILE N N 15 117.784 0.040 . 1 . . . A 33 ILE N . 17635 1 394 . 1 1 34 34 ILE H H 1 8.687 0.008 . 1 . . . A 34 ILE H . 17635 1 395 . 1 1 34 34 ILE HA H 1 3.787 0.002 . 1 . . . A 34 ILE HA . 17635 1 396 . 1 1 34 34 ILE HB H 1 1.673 0.007 . 1 . . . A 34 ILE HB . 17635 1 397 . 1 1 34 34 ILE HG12 H 1 1.644 0.006 . 2 . . . A 34 ILE HG12 . 17635 1 398 . 1 1 34 34 ILE HG13 H 1 0.522 0.008 . 2 . . . . 34 ILE HG13 . 17635 1 399 . 1 1 34 34 ILE HG21 H 1 0.808 0.009 . 1 . . . A 34 ILE HG21 . 17635 1 400 . 1 1 34 34 ILE HG22 H 1 0.808 0.009 . 1 . . . A 34 ILE HG22 . 17635 1 401 . 1 1 34 34 ILE HG23 H 1 0.808 0.009 . 1 . . . A 34 ILE HG23 . 17635 1 402 . 1 1 34 34 ILE HD11 H 1 0.747 0.009 . 1 . . . A 34 ILE HD11 . 17635 1 403 . 1 1 34 34 ILE HD12 H 1 0.747 0.009 . 1 . . . A 34 ILE HD12 . 17635 1 404 . 1 1 34 34 ILE HD13 H 1 0.747 0.009 . 1 . . . A 34 ILE HD13 . 17635 1 405 . 1 1 34 34 ILE C C 13 174.663 0.000 . 1 . . . A 34 ILE C . 17635 1 406 . 1 1 34 34 ILE CA C 13 61.370 0.062 . 1 . . . A 34 ILE CA . 17635 1 407 . 1 1 34 34 ILE CB C 13 37.995 0.048 . 1 . . . A 34 ILE CB . 17635 1 408 . 1 1 34 34 ILE CG1 C 13 28.699 0.045 . 1 . . . A 34 ILE CG1 . 17635 1 409 . 1 1 34 34 ILE CG2 C 13 16.628 0.044 . 1 . . . A 34 ILE CG2 . 17635 1 410 . 1 1 34 34 ILE CD1 C 13 13.831 0.030 . 1 . . . A 34 ILE CD1 . 17635 1 411 . 1 1 34 34 ILE N N 15 131.781 0.046 . 1 . . . A 34 ILE N . 17635 1 412 . 1 1 35 35 LYS H H 1 8.680 0.005 . 1 . . . A 35 LYS H . 17635 1 413 . 1 1 35 35 LYS HA H 1 4.084 0.004 . 1 . . . A 35 LYS HA . 17635 1 414 . 1 1 35 35 LYS HB2 H 1 1.470 0.012 . 2 . . . A 35 LYS HB2 . 17635 1 415 . 1 1 35 35 LYS HB3 H 1 1.211 0.004 . 2 . . . A 35 LYS HB3 . 17635 1 416 . 1 1 35 35 LYS HG2 H 1 1.399 0.002 . 2 . . . A 35 LYS HG2 . 17635 1 417 . 1 1 35 35 LYS HD2 H 1 1.627 0.006 . 2 . . . A 35 LYS HD2 . 17635 1 418 . 1 1 35 35 LYS HE2 H 1 3.109 0.001 . 2 . . . A 35 LYS HE2 . 17635 1 419 . 1 1 35 35 LYS HE3 H 1 3.043 0.004 . 2 . . . . 35 LYS HE3 . 17635 1 420 . 1 1 35 35 LYS C C 13 175.376 0.000 . 1 . . . A 35 LYS C . 17635 1 421 . 1 1 35 35 LYS CA C 13 57.473 0.048 . 1 . . . A 35 LYS CA . 17635 1 422 . 1 1 35 35 LYS CB C 13 33.664 0.042 . 1 . . . A 35 LYS CB . 17635 1 423 . 1 1 35 35 LYS CG C 13 24.881 0.000 . 1 . . . A 35 LYS CG . 17635 1 424 . 1 1 35 35 LYS CD C 13 29.774 0.025 . 1 . . . A 35 LYS CD . 17635 1 425 . 1 1 35 35 LYS CE C 13 41.836 0.027 . 1 . . . A 35 LYS CE . 17635 1 426 . 1 1 35 35 LYS N N 15 130.372 0.036 . 1 . . . A 35 LYS N . 17635 1 427 . 1 1 36 36 THR H H 1 8.456 0.006 . 1 . . . A 36 THR H . 17635 1 428 . 1 1 36 36 THR HA H 1 4.415 0.006 . 1 . . . A 36 THR HA . 17635 1 429 . 1 1 36 36 THR HB H 1 3.731 0.003 . 1 . . . A 36 THR HB . 17635 1 430 . 1 1 36 36 THR HG21 H 1 0.880 0.007 . 1 . . . A 36 THR HG21 . 17635 1 431 . 1 1 36 36 THR HG22 H 1 0.880 0.007 . 1 . . . A 36 THR HG22 . 17635 1 432 . 1 1 36 36 THR HG23 H 1 0.880 0.007 . 1 . . . A 36 THR HG23 . 17635 1 433 . 1 1 36 36 THR C C 13 176.394 0.000 . 1 . . . A 36 THR C . 17635 1 434 . 1 1 36 36 THR CA C 13 61.340 0.051 . 1 . . . A 36 THR CA . 17635 1 435 . 1 1 36 36 THR CB C 13 70.809 0.084 . 1 . . . A 36 THR CB . 17635 1 436 . 1 1 36 36 THR CG2 C 13 21.433 0.026 . 1 . . . A 36 THR CG2 . 17635 1 437 . 1 1 36 36 THR N N 15 118.312 0.032 . 1 . . . A 36 THR N . 17635 1 438 . 1 1 37 37 ASN H H 1 8.794 0.009 . 1 . . . A 37 ASN H . 17635 1 439 . 1 1 37 37 ASN HA H 1 4.530 0.009 . 1 . . . A 37 ASN HA . 17635 1 440 . 1 1 37 37 ASN HB2 H 1 3.274 0.007 . 2 . . . A 37 ASN HB2 . 17635 1 441 . 1 1 37 37 ASN HB3 H 1 2.557 0.012 . 2 . . . A 37 ASN HB3 . 17635 1 442 . 1 1 37 37 ASN HD21 H 1 7.653 0.004 . 2 . . . A 37 ASN HD21 . 17635 1 443 . 1 1 37 37 ASN HD22 H 1 7.208 0.005 . 2 . . . A 37 ASN HD22 . 17635 1 444 . 1 1 37 37 ASN C C 13 174.235 0.007 . 1 . . . A 37 ASN C . 17635 1 445 . 1 1 37 37 ASN CA C 13 53.064 0.026 . 1 . . . A 37 ASN CA . 17635 1 446 . 1 1 37 37 ASN CB C 13 38.927 0.040 . 1 . . . A 37 ASN CB . 17635 1 447 . 1 1 37 37 ASN CG C 13 173.207 0.020 . 1 . . . A 37 ASN CG . 17635 1 448 . 1 1 37 37 ASN N N 15 124.092 0.064 . 1 . . . A 37 ASN N . 17635 1 449 . 1 1 37 37 ASN ND2 N 15 113.836 0.267 . 1 . . . A 37 ASN ND2 . 17635 1 450 . 1 1 38 38 LYS H H 1 8.962 0.005 . 1 . . . A 38 LYS H . 17635 1 451 . 1 1 38 38 LYS HA H 1 4.004 0.008 . 1 . . . A 38 LYS HA . 17635 1 452 . 1 1 38 38 LYS HB2 H 1 1.870 0.005 . 2 . . . A 38 LYS HB3 . 17635 1 453 . 1 1 38 38 LYS HG2 H 1 1.562 0.000 . 2 . . . A 38 LYS HG2 . 17635 1 454 . 1 1 38 38 LYS HG3 H 1 1.482 0.000 . 2 . . . . 38 LYS HG3 . 17635 1 455 . 1 1 38 38 LYS HD2 H 1 1.686 0.003 . 2 . . . A 38 LYS HD2 . 17635 1 456 . 1 1 38 38 LYS HE2 H 1 3.037 0.003 . 2 . . . A 38 LYS HE2 . 17635 1 457 . 1 1 38 38 LYS C C 13 172.702 0.002 . 1 . . . A 38 LYS C . 17635 1 458 . 1 1 38 38 LYS CA C 13 58.458 0.046 . 1 . . . A 38 LYS CA . 17635 1 459 . 1 1 38 38 LYS CB C 13 32.167 0.024 . 1 . . . A 38 LYS CB . 17635 1 460 . 1 1 38 38 LYS CG C 13 24.941 0.000 . 1 . . . A 38 LYS CG . 17635 1 461 . 1 1 38 38 LYS CD C 13 28.686 0.000 . 1 . . . A 38 LYS CD . 17635 1 462 . 1 1 38 38 LYS CE C 13 42.118 0.000 . 1 . . . A 38 LYS CE . 17635 1 463 . 1 1 38 38 LYS N N 15 127.969 0.056 . 1 . . . A 38 LYS N . 17635 1 464 . 1 1 39 39 LYS H H 1 8.314 0.005 . 1 . . . A 39 LYS H . 17635 1 465 . 1 1 39 39 LYS HA H 1 4.258 0.003 . 1 . . . A 39 LYS HA . 17635 1 466 . 1 1 39 39 LYS HB2 H 1 1.952 0.002 . 2 . . . A 39 LYS HB3 . 17635 1 467 . 1 1 39 39 LYS HG2 H 1 1.527 0.003 . 2 . . . A 39 LYS HG2 . 17635 1 468 . 1 1 39 39 LYS HG3 H 1 1.412 0.009 . 2 . . . . 39 LYS HG3 . 17635 1 469 . 1 1 39 39 LYS HD2 H 1 1.706 0.007 . 2 . . . A 39 LYS HD2 . 17635 1 470 . 1 1 39 39 LYS HE2 H 1 3.011 0.003 . 2 . . . A 39 LYS HE2 . 17635 1 471 . 1 1 39 39 LYS C C 13 172.261 0.000 . 1 . . . A 39 LYS C . 17635 1 472 . 1 1 39 39 LYS CA C 13 58.319 0.033 . 1 . . . A 39 LYS CA . 17635 1 473 . 1 1 39 39 LYS CB C 13 32.797 0.025 . 1 . . . A 39 LYS CB . 17635 1 474 . 1 1 39 39 LYS CG C 13 25.167 0.026 . 1 . . . A 39 LYS CG . 17635 1 475 . 1 1 39 39 LYS CD C 13 28.903 0.000 . 1 . . . A 39 LYS CD . 17635 1 476 . 1 1 39 39 LYS CE C 13 42.117 0.023 . 1 . . . A 39 LYS CE . 17635 1 477 . 1 1 39 39 LYS N N 15 117.413 0.042 . 1 . . . A 39 LYS N . 17635 1 478 . 1 1 40 40 THR H H 1 7.422 0.004 . 1 . . . A 40 THR H . 17635 1 479 . 1 1 40 40 THR HA H 1 4.465 0.006 . 1 . . . A 40 THR HA . 17635 1 480 . 1 1 40 40 THR HB H 1 4.412 0.006 . 1 . . . A 40 THR HB . 17635 1 481 . 1 1 40 40 THR HG21 H 1 1.140 0.005 . 1 . . . A 40 THR HG21 . 17635 1 482 . 1 1 40 40 THR HG22 H 1 1.140 0.005 . 1 . . . A 40 THR HG22 . 17635 1 483 . 1 1 40 40 THR HG23 H 1 1.140 0.005 . 1 . . . A 40 THR HG23 . 17635 1 484 . 1 1 40 40 THR C C 13 174.021 0.000 . 1 . . . A 40 THR C . 17635 1 485 . 1 1 40 40 THR CA C 13 61.260 0.060 . 1 . . . A 40 THR CA . 17635 1 486 . 1 1 40 40 THR CB C 13 70.997 0.025 . 1 . . . A 40 THR CB . 17635 1 487 . 1 1 40 40 THR CG2 C 13 21.241 0.035 . 1 . . . A 40 THR CG2 . 17635 1 488 . 1 1 40 40 THR N N 15 105.547 0.036 . 1 . . . A 40 THR N . 17635 1 489 . 1 1 41 41 GLY H H 1 8.644 0.004 . 1 . . . A 41 GLY H . 17635 1 490 . 1 1 41 41 GLY HA2 H 1 4.183 0.005 . 2 . . . A 41 GLY HA2 . 17635 1 491 . 1 1 41 41 GLY HA3 H 1 3.686 0.006 . 2 . . . A 41 GLY HA3 . 17635 1 492 . 1 1 41 41 GLY C C 13 176.727 0.004 . 1 . . . A 41 GLY C . 17635 1 493 . 1 1 41 41 GLY CA C 13 45.730 0.018 . 1 . . . A 41 GLY CA . 17635 1 494 . 1 1 41 41 GLY N N 15 111.631 0.026 . 1 . . . A 41 GLY N . 17635 1 495 . 1 1 42 42 GLN H H 1 7.662 0.004 . 1 . . . A 42 GLN H . 17635 1 496 . 1 1 42 42 GLN HA H 1 4.669 0.007 . 1 . . . A 42 GLN HA . 17635 1 497 . 1 1 42 42 GLN HB2 H 1 2.190 0.003 . 2 . . . A 42 GLN HB2 . 17635 1 498 . 1 1 42 42 GLN HB3 H 1 1.821 0.006 . 2 . . . A 42 GLN HB3 . 17635 1 499 . 1 1 42 42 GLN HG2 H 1 2.380 0.005 . 2 . . . A 42 GLN HG2 . 17635 1 500 . 1 1 42 42 GLN HE21 H 1 7.593 0.005 . 2 . . . A 42 GLN HE21 . 17635 1 501 . 1 1 42 42 GLN HE22 H 1 6.983 0.004 . 2 . . . A 42 GLN HE22 . 17635 1 502 . 1 1 42 42 GLN C C 13 177.178 0.000 . 1 . . . A 42 GLN C . 17635 1 503 . 1 1 42 42 GLN CA C 13 53.581 0.025 . 1 . . . A 42 GLN CA . 17635 1 504 . 1 1 42 42 GLN CB C 13 29.230 0.031 . 1 . . . A 42 GLN CB . 17635 1 505 . 1 1 42 42 GLN CG C 13 33.392 0.039 . 1 . . . A 42 GLN CG . 17635 1 506 . 1 1 42 42 GLN CD C 13 182.295 0.000 . 1 . . . A 42 GLN CD . 17635 1 507 . 1 1 42 42 GLN N N 15 118.894 0.040 . 1 . . . A 42 GLN N . 17635 1 508 . 1 1 42 42 GLN NE2 N 15 113.062 0.229 . 1 . . . A 42 GLN NE2 . 17635 1 509 . 1 1 43 43 PRO HA H 1 4.595 0.007 . 1 . . . A 43 PRO HA . 17635 1 510 . 1 1 43 43 PRO HB2 H 1 2.222 0.007 . 2 . . . A 43 PRO HB2 . 17635 1 511 . 1 1 43 43 PRO HB3 H 1 1.569 0.006 . 2 . . . A 43 PRO HB3 . 17635 1 512 . 1 1 43 43 PRO HG2 H 1 2.009 0.010 . 2 . . . A 43 PRO HG2 . 17635 1 513 . 1 1 43 43 PRO HG3 H 1 1.941 0.012 . 2 . . . . 43 PRO HG3 . 17635 1 514 . 1 1 43 43 PRO HD2 H 1 3.846 0.007 . 2 . . . A 43 PRO HD2 . 17635 1 515 . 1 1 43 43 PRO HD3 H 1 3.674 0.005 . 2 . . . . 43 PRO HD3 . 17635 1 516 . 1 1 43 43 PRO C C 13 172.629 0.000 . 1 . . . A 43 PRO C . 17635 1 517 . 1 1 43 43 PRO CA C 13 62.822 0.045 . 1 . . . A 43 PRO CA . 17635 1 518 . 1 1 43 43 PRO CB C 13 32.696 0.035 . 1 . . . A 43 PRO CB . 17635 1 519 . 1 1 43 43 PRO CG C 13 27.440 0.057 . 1 . . . A 43 PRO CG . 17635 1 520 . 1 1 43 43 PRO CD C 13 50.512 0.032 . 1 . . . A 43 PRO CD . 17635 1 521 . 1 1 44 44 MET H H 1 8.874 0.007 . 1 . . . A 44 MET H . 17635 1 522 . 1 1 44 44 MET HA H 1 4.432 0.004 . 1 . . . A 44 MET HA . 17635 1 523 . 1 1 44 44 MET HB2 H 1 2.026 0.006 . 2 . . . A 44 MET HB2 . 17635 1 524 . 1 1 44 44 MET HB3 H 1 1.672 0.010 . 2 . . . A 44 MET HB3 . 17635 1 525 . 1 1 44 44 MET HG2 H 1 2.384 0.007 . 2 . . . A 44 MET HG2 . 17635 1 526 . 1 1 44 44 MET HG3 H 1 2.287 0.007 . 2 . . . . 44 MET HG3 . 17635 1 527 . 1 1 44 44 MET HE1 H 1 2.066 0.000 . 1 . . . A 44 MET HE1 . 17635 1 528 . 1 1 44 44 MET HE2 H 1 2.066 0.000 . 1 . . . A 44 MET HE2 . 17635 1 529 . 1 1 44 44 MET HE3 H 1 2.066 0.000 . 1 . . . A 44 MET HE3 . 17635 1 530 . 1 1 44 44 MET C C 13 176.474 0.000 . 1 . . . A 44 MET C . 17635 1 531 . 1 1 44 44 MET CA C 13 55.419 0.123 . 1 . . . A 44 MET CA . 17635 1 532 . 1 1 44 44 MET CB C 13 30.555 0.040 . 1 . . . A 44 MET CB . 17635 1 533 . 1 1 44 44 MET CG C 13 32.736 0.036 . 1 . . . A 44 MET CG . 17635 1 534 . 1 1 44 44 MET CE C 13 17.045 0.000 . 1 . . . A 44 MET CE . 17635 1 535 . 1 1 44 44 MET N N 15 124.162 0.044 . 1 . . . A 44 MET N . 17635 1 536 . 1 1 45 45 ILE H H 1 7.730 0.005 . 1 . . . A 45 ILE H . 17635 1 537 . 1 1 45 45 ILE HA H 1 4.802 0.008 . 1 . . . A 45 ILE HA . 17635 1 538 . 1 1 45 45 ILE HB H 1 1.460 0.005 . 1 . . . A 45 ILE HB . 17635 1 539 . 1 1 45 45 ILE HG12 H 1 1.437 0.003 . 2 . . . A 45 ILE HG12 . 17635 1 540 . 1 1 45 45 ILE HG13 H 1 1.013 0.008 . 2 . . . . 45 ILE HG13 . 17635 1 541 . 1 1 45 45 ILE HG21 H 1 0.726 0.007 . 1 . . . A 45 ILE HG21 . 17635 1 542 . 1 1 45 45 ILE HG22 H 1 0.726 0.007 . 1 . . . A 45 ILE HG22 . 17635 1 543 . 1 1 45 45 ILE HG23 H 1 0.726 0.007 . 1 . . . A 45 ILE HG23 . 17635 1 544 . 1 1 45 45 ILE HD11 H 1 0.876 0.005 . 1 . . . A 45 ILE HD11 . 17635 1 545 . 1 1 45 45 ILE HD12 H 1 0.876 0.005 . 1 . . . A 45 ILE HD12 . 17635 1 546 . 1 1 45 45 ILE HD13 H 1 0.876 0.005 . 1 . . . A 45 ILE HD13 . 17635 1 547 . 1 1 45 45 ILE C C 13 176.415 0.000 . 1 . . . A 45 ILE C . 17635 1 548 . 1 1 45 45 ILE CA C 13 59.216 0.052 . 1 . . . A 45 ILE CA . 17635 1 549 . 1 1 45 45 ILE CB C 13 42.226 0.034 . 1 . . . A 45 ILE CB . 17635 1 550 . 1 1 45 45 ILE CG1 C 13 27.923 0.033 . 1 . . . A 45 ILE CG1 . 17635 1 551 . 1 1 45 45 ILE CG2 C 13 16.571 0.030 . 1 . . . A 45 ILE CG2 . 17635 1 552 . 1 1 45 45 ILE CD1 C 13 14.377 0.039 . 1 . . . A 45 ILE CD1 . 17635 1 553 . 1 1 45 45 ILE N N 15 126.237 0.053 . 1 . . . A 45 ILE N . 17635 1 554 . 1 1 46 46 ASN H H 1 8.384 0.007 . 1 . . . A 46 ASN H . 17635 1 555 . 1 1 46 46 ASN HA H 1 4.941 0.003 . 1 . . . A 46 ASN HA . 17635 1 556 . 1 1 46 46 ASN HB2 H 1 2.564 0.003 . 2 . . . A 46 ASN HB3 . 17635 1 557 . 1 1 46 46 ASN HD21 H 1 6.964 0.004 . 2 . . . A 46 ASN HD21 . 17635 1 558 . 1 1 46 46 ASN HD22 H 1 6.654 0.003 . 2 . . . A 46 ASN HD22 . 17635 1 559 . 1 1 46 46 ASN C C 13 176.836 0.000 . 1 . . . A 46 ASN C . 17635 1 560 . 1 1 46 46 ASN CA C 13 51.561 0.020 . 1 . . . A 46 ASN CA . 17635 1 561 . 1 1 46 46 ASN CB C 13 40.470 0.036 . 1 . . . A 46 ASN CB . 17635 1 562 . 1 1 46 46 ASN CG C 13 173.942 0.009 . 1 . . . A 46 ASN CG . 17635 1 563 . 1 1 46 46 ASN N N 15 124.735 0.046 . 1 . . . A 46 ASN N . 17635 1 564 . 1 1 46 46 ASN ND2 N 15 111.542 0.264 . 1 . . . A 46 ASN ND2 . 17635 1 565 . 1 1 47 47 LEU H H 1 8.594 0.004 . 1 . . . A 47 LEU H . 17635 1 566 . 1 1 47 47 LEU HA H 1 4.715 0.005 . 1 . . . A 47 LEU HA . 17635 1 567 . 1 1 47 47 LEU HB2 H 1 1.702 0.005 . 2 . . . A 47 LEU HB2 . 17635 1 568 . 1 1 47 47 LEU HB3 H 1 1.397 0.009 . 2 . . . A 47 LEU HB3 . 17635 1 569 . 1 1 47 47 LEU HG H 1 1.500 0.008 . 1 . . . A 47 LEU HG . 17635 1 570 . 1 1 47 47 LEU HD11 H 1 0.768 0.009 . 2 . . . A 47 LEU HD11 . 17635 1 571 . 1 1 47 47 LEU HD12 H 1 0.768 0.009 . 2 . . . A 47 LEU HD12 . 17635 1 572 . 1 1 47 47 LEU HD13 H 1 0.768 0.009 . 2 . . . A 47 LEU HD13 . 17635 1 573 . 1 1 47 47 LEU HD21 H 1 0.619 0.008 . 2 . . . A 47 LEU HD21 . 17635 1 574 . 1 1 47 47 LEU HD22 H 1 0.619 0.008 . 2 . . . A 47 LEU HD22 . 17635 1 575 . 1 1 47 47 LEU HD23 H 1 0.619 0.008 . 2 . . . A 47 LEU HD23 . 17635 1 576 . 1 1 47 47 LEU C C 13 174.190 0.000 . 1 . . . A 47 LEU C . 17635 1 577 . 1 1 47 47 LEU CA C 13 53.332 0.032 . 1 . . . A 47 LEU CA . 17635 1 578 . 1 1 47 47 LEU CB C 13 42.277 0.026 . 1 . . . A 47 LEU CB . 17635 1 579 . 1 1 47 47 LEU CG C 13 26.779 0.074 . 1 . . . A 47 LEU CG . 17635 1 580 . 1 1 47 47 LEU CD1 C 13 25.846 0.039 . 2 . . . A 47 LEU CD1 . 17635 1 581 . 1 1 47 47 LEU CD2 C 13 23.808 0.026 . 2 . . . A 47 LEU CD2 . 17635 1 582 . 1 1 47 47 LEU N N 15 122.487 0.037 . 1 . . . A 47 LEU N . 17635 1 583 . 1 1 48 48 TYR H H 1 7.666 0.010 . 1 . . . A 48 TYR H . 17635 1 584 . 1 1 48 48 TYR HA H 1 4.767 0.008 . 1 . . . A 48 TYR HA . 17635 1 585 . 1 1 48 48 TYR HB2 H 1 3.169 0.006 . 2 . . . A 48 TYR HB2 . 17635 1 586 . 1 1 48 48 TYR HB3 H 1 2.814 0.005 . 2 . . . A 48 TYR HB3 . 17635 1 587 . 1 1 48 48 TYR HD1 H 1 7.165 0.004 . 3 . . . A 48 TYR HD1 . 17635 1 588 . 1 1 48 48 TYR HE1 H 1 6.848 0.005 . 3 . . . A 48 TYR HE1 . 17635 1 589 . 1 1 48 48 TYR C C 13 173.649 0.000 . 1 . . . A 48 TYR C . 17635 1 590 . 1 1 48 48 TYR CA C 13 57.894 0.069 . 1 . . . A 48 TYR CA . 17635 1 591 . 1 1 48 48 TYR CB C 13 39.199 0.072 . 1 . . . A 48 TYR CB . 17635 1 592 . 1 1 48 48 TYR CD1 C 13 132.507 0.109 . 3 . . . A 48 TYR CD1 . 17635 1 593 . 1 1 48 48 TYR CE1 C 13 118.217 0.115 . 3 . . . A 48 TYR CE1 . 17635 1 594 . 1 1 48 48 TYR N N 15 121.842 0.027 . 1 . . . A 48 TYR N . 17635 1 595 . 1 1 49 49 THR H H 1 8.965 0.011 . 1 . . . A 49 THR H . 17635 1 596 . 1 1 49 49 THR HA H 1 4.806 0.005 . 1 . . . A 49 THR HA . 17635 1 597 . 1 1 49 49 THR HB H 1 3.856 0.006 . 1 . . . A 49 THR HB . 17635 1 598 . 1 1 49 49 THR HG21 H 1 1.040 0.006 . 1 . . . A 49 THR HG21 . 17635 1 599 . 1 1 49 49 THR HG22 H 1 1.040 0.006 . 1 . . . A 49 THR HG22 . 17635 1 600 . 1 1 49 49 THR HG23 H 1 1.040 0.006 . 1 . . . A 49 THR HG23 . 17635 1 601 . 1 1 49 49 THR C C 13 176.654 0.001 . 1 . . . A 49 THR C . 17635 1 602 . 1 1 49 49 THR CA C 13 60.693 0.040 . 1 . . . A 49 THR CA . 17635 1 603 . 1 1 49 49 THR CB C 13 71.437 0.062 . 1 . . . A 49 THR CB . 17635 1 604 . 1 1 49 49 THR CG2 C 13 21.868 0.033 . 1 . . . A 49 THR CG2 . 17635 1 605 . 1 1 49 49 THR N N 15 116.554 0.050 . 1 . . . A 49 THR N . 17635 1 606 . 1 1 50 50 ASP H H 1 8.939 0.004 . 1 . . . A 50 ASP H . 17635 1 607 . 1 1 50 50 ASP HA H 1 4.624 0.009 . 1 . . . A 50 ASP HA . 17635 1 608 . 1 1 50 50 ASP HB2 H 1 3.057 0.008 . 2 . . . A 50 ASP HB2 . 17635 1 609 . 1 1 50 50 ASP HB3 H 1 2.458 0.007 . 2 . . . A 50 ASP HB3 . 17635 1 610 . 1 1 50 50 ASP C C 13 173.380 0.005 . 1 . . . A 50 ASP C . 17635 1 611 . 1 1 50 50 ASP CA C 13 54.088 0.025 . 1 . . . A 50 ASP CA . 17635 1 612 . 1 1 50 50 ASP CB C 13 42.867 0.074 . 1 . . . A 50 ASP CB . 17635 1 613 . 1 1 50 50 ASP N N 15 123.826 0.038 . 1 . . . A 50 ASP N . 17635 1 614 . 1 1 51 51 ARG H H 1 8.958 0.006 . 1 . . . A 51 ARG H . 17635 1 615 . 1 1 51 51 ARG HA H 1 4.045 0.007 . 1 . . . A 51 ARG HA . 17635 1 616 . 1 1 51 51 ARG HB2 H 1 1.894 0.002 . 2 . . . A 51 ARG HB3 . 17635 1 617 . 1 1 51 51 ARG HG2 H 1 1.678 0.003 . 2 . . . A 51 ARG HG2 . 17635 1 618 . 1 1 51 51 ARG HD2 H 1 3.207 0.004 . 2 . . . A 51 ARG HD2 . 17635 1 619 . 1 1 51 51 ARG C C 13 173.101 0.014 . 1 . . . A 51 ARG C . 17635 1 620 . 1 1 51 51 ARG CA C 13 58.562 0.042 . 1 . . . A 51 ARG CA . 17635 1 621 . 1 1 51 51 ARG CB C 13 30.167 0.044 . 1 . . . A 51 ARG CB . 17635 1 622 . 1 1 51 51 ARG CG C 13 27.052 0.050 . 1 . . . A 51 ARG CG . 17635 1 623 . 1 1 51 51 ARG CD C 13 43.278 0.058 . 1 . . . A 51 ARG CD . 17635 1 624 . 1 1 51 51 ARG N N 15 127.794 0.065 . 1 . . . A 51 ARG N . 17635 1 625 . 1 1 52 52 GLU H H 1 8.561 0.003 . 1 . . . A 52 GLU H . 17635 1 626 . 1 1 52 52 GLU HA H 1 4.278 0.007 . 1 . . . A 52 GLU HA . 17635 1 627 . 1 1 52 52 GLU HB2 H 1 2.147 0.008 . 2 . . . A 52 GLU HB3 . 17635 1 628 . 1 1 52 52 GLU HG2 H 1 2.304 0.008 . 2 . . . A 52 GLU HG2 . 17635 1 629 . 1 1 52 52 GLU HG3 H 1 2.262 0.011 . 2 . . . . 52 GLU HG3 . 17635 1 630 . 1 1 52 52 GLU C C 13 172.201 0.000 . 1 . . . A 52 GLU C . 17635 1 631 . 1 1 52 52 GLU CA C 13 58.524 0.017 . 1 . . . A 52 GLU CA . 17635 1 632 . 1 1 52 52 GLU CB C 13 30.278 0.046 . 1 . . . A 52 GLU CB . 17635 1 633 . 1 1 52 52 GLU CG C 13 36.661 0.017 . 1 . . . A 52 GLU CG . 17635 1 634 . 1 1 52 52 GLU N N 15 117.542 0.034 . 1 . . . A 52 GLU N . 17635 1 635 . 1 1 53 53 THR H H 1 8.087 0.005 . 1 . . . A 53 THR H . 17635 1 636 . 1 1 53 53 THR HA H 1 4.436 0.008 . 1 . . . A 53 THR HA . 17635 1 637 . 1 1 53 53 THR HB H 1 4.334 0.003 . 1 . . . A 53 THR HB . 17635 1 638 . 1 1 53 53 THR HG21 H 1 1.227 0.005 . 1 . . . A 53 THR HG21 . 17635 1 639 . 1 1 53 53 THR HG22 H 1 1.227 0.005 . 1 . . . A 53 THR HG22 . 17635 1 640 . 1 1 53 53 THR HG23 H 1 1.227 0.005 . 1 . . . A 53 THR HG23 . 17635 1 641 . 1 1 53 53 THR C C 13 173.851 0.000 . 1 . . . A 53 THR C . 17635 1 642 . 1 1 53 53 THR CA C 13 61.944 0.027 . 1 . . . A 53 THR CA . 17635 1 643 . 1 1 53 53 THR CB C 13 71.197 0.052 . 1 . . . A 53 THR CB . 17635 1 644 . 1 1 53 53 THR CG2 C 13 21.143 0.028 . 1 . . . A 53 THR CG2 . 17635 1 645 . 1 1 53 53 THR N N 15 107.065 0.039 . 1 . . . A 53 THR N . 17635 1 646 . 1 1 54 54 GLY H H 1 8.423 0.005 . 1 . . . A 54 GLY H . 17635 1 647 . 1 1 54 54 GLY HA2 H 1 4.187 0.003 . 2 . . . A 54 GLY HA2 . 17635 1 648 . 1 1 54 54 GLY HA3 H 1 3.757 0.014 . 2 . . . A 54 GLY HA3 . 17635 1 649 . 1 1 54 54 GLY C C 13 176.747 0.000 . 1 . . . A 54 GLY C . 17635 1 650 . 1 1 54 54 GLY CA C 13 45.703 0.020 . 1 . . . A 54 GLY CA . 17635 1 651 . 1 1 54 54 GLY N N 15 111.295 0.037 . 1 . . . A 54 GLY N . 17635 1 652 . 1 1 55 55 LYS H H 1 7.767 0.004 . 1 . . . A 55 LYS H . 17635 1 653 . 1 1 55 55 LYS HA H 1 4.353 0.004 . 1 . . . A 55 LYS HA . 17635 1 654 . 1 1 55 55 LYS HB2 H 1 1.850 0.006 . 2 . . . A 55 LYS HB2 . 17635 1 655 . 1 1 55 55 LYS HB3 H 1 1.666 0.007 . 2 . . . A 55 LYS HB3 . 17635 1 656 . 1 1 55 55 LYS HG2 H 1 1.423 0.003 . 2 . . . A 55 LYS HG2 . 17635 1 657 . 1 1 55 55 LYS HG3 H 1 1.441 0.006 . 2 . . . . 55 LYS HG3 . 17635 1 658 . 1 1 55 55 LYS HD2 H 1 1.694 0.000 . 2 . . . A 55 LYS HD2 . 17635 1 659 . 1 1 55 55 LYS HE2 H 1 2.998 0.002 . 2 . . . A 55 LYS HE2 . 17635 1 660 . 1 1 55 55 LYS C C 13 173.854 0.000 . 1 . . . A 55 LYS C . 17635 1 661 . 1 1 55 55 LYS CA C 13 55.842 0.074 . 1 . . . A 55 LYS CA . 17635 1 662 . 1 1 55 55 LYS CB C 13 33.821 0.035 . 1 . . . A 55 LYS CB . 17635 1 663 . 1 1 55 55 LYS CG C 13 25.111 0.044 . 1 . . . A 55 LYS CG . 17635 1 664 . 1 1 55 55 LYS CD C 13 28.913 0.001 . 1 . . . A 55 LYS CD . 17635 1 665 . 1 1 55 55 LYS CE C 13 42.156 0.050 . 1 . . . A 55 LYS CE . 17635 1 666 . 1 1 55 55 LYS N N 15 119.673 0.053 . 1 . . . A 55 LYS N . 17635 1 667 . 1 1 56 56 LEU H H 1 8.768 0.007 . 1 . . . A 56 LEU H . 17635 1 668 . 1 1 56 56 LEU HA H 1 4.356 0.004 . 1 . . . A 56 LEU HA . 17635 1 669 . 1 1 56 56 LEU HB2 H 1 1.890 0.007 . 2 . . . A 56 LEU HB2 . 17635 1 670 . 1 1 56 56 LEU HB3 H 1 1.529 0.008 . 2 . . . A 56 LEU HB3 . 17635 1 671 . 1 1 56 56 LEU HG H 1 1.803 0.003 . 1 . . . A 56 LEU HG . 17635 1 672 . 1 1 56 56 LEU HD11 H 1 1.001 0.007 . 2 . . . A 56 LEU HD11 . 17635 1 673 . 1 1 56 56 LEU HD12 H 1 1.001 0.007 . 2 . . . A 56 LEU HD12 . 17635 1 674 . 1 1 56 56 LEU HD13 H 1 1.001 0.007 . 2 . . . A 56 LEU HD13 . 17635 1 675 . 1 1 56 56 LEU HD21 H 1 0.837 0.007 . 2 . . . A 56 LEU HD21 . 17635 1 676 . 1 1 56 56 LEU HD22 H 1 0.837 0.007 . 2 . . . A 56 LEU HD22 . 17635 1 677 . 1 1 56 56 LEU HD23 H 1 0.837 0.007 . 2 . . . A 56 LEU HD23 . 17635 1 678 . 1 1 56 56 LEU C C 13 172.534 0.000 . 1 . . . A 56 LEU C . 17635 1 679 . 1 1 56 56 LEU CA C 13 56.255 0.029 . 1 . . . A 56 LEU CA . 17635 1 680 . 1 1 56 56 LEU CB C 13 41.654 0.034 . 1 . . . A 56 LEU CB . 17635 1 681 . 1 1 56 56 LEU CG C 13 27.515 0.071 . 1 . . . A 56 LEU CG . 17635 1 682 . 1 1 56 56 LEU CD1 C 13 26.357 0.048 . 2 . . . A 56 LEU CD1 . 17635 1 683 . 1 1 56 56 LEU CD2 C 13 23.962 0.094 . 2 . . . A 56 LEU CD2 . 17635 1 684 . 1 1 56 56 LEU N N 15 122.426 0.048 . 1 . . . A 56 LEU N . 17635 1 685 . 1 1 57 57 LYS H H 1 8.012 0.003 . 1 . . . A 57 LYS H . 17635 1 686 . 1 1 57 57 LYS HA H 1 4.288 0.013 . 1 . . . A 57 LYS HA . 17635 1 687 . 1 1 57 57 LYS HB2 H 1 1.883 0.002 . 2 . . . A 57 LYS HB2 . 17635 1 688 . 1 1 57 57 LYS HB3 H 1 1.541 0.007 . 2 . . . A 57 LYS HB3 . 17635 1 689 . 1 1 57 57 LYS HG2 H 1 1.430 0.004 . 2 . . . A 57 LYS HG2 . 17635 1 690 . 1 1 57 57 LYS HG3 H 1 1.446 0.011 . 2 . . . . 57 LYS HG3 . 17635 1 691 . 1 1 57 57 LYS HD2 H 1 1.678 0.000 . 2 . . . A 57 LYS HD2 . 17635 1 692 . 1 1 57 57 LYS HD3 H 1 1.597 0.007 . 2 . . . . 57 LYS HD3 . 17635 1 693 . 1 1 57 57 LYS HE2 H 1 3.015 0.002 . 2 . . . A 57 LYS HE2 . 17635 1 694 . 1 1 57 57 LYS HE3 H 1 2.966 0.000 . 2 . . . . 57 LYS HE3 . 17635 1 695 . 1 1 57 57 LYS C C 13 173.648 0.000 . 1 . . . A 57 LYS C . 17635 1 696 . 1 1 57 57 LYS CA C 13 56.264 0.031 . 1 . . . A 57 LYS CA . 17635 1 697 . 1 1 57 57 LYS CB C 13 34.062 0.046 . 1 . . . A 57 LYS CB . 17635 1 698 . 1 1 57 57 LYS CG C 13 25.250 0.032 . 1 . . . A 57 LYS CG . 17635 1 699 . 1 1 57 57 LYS CD C 13 28.992 0.051 . 1 . . . A 57 LYS CD . 17635 1 700 . 1 1 57 57 LYS CE C 13 41.520 0.000 . 1 . . . A 57 LYS CE . 17635 1 701 . 1 1 57 57 LYS N N 15 118.264 0.041 . 1 . . . A 57 LYS N . 17635 1 702 . 1 1 58 58 GLY H H 1 8.334 0.004 . 1 . . . A 58 GLY H . 17635 1 703 . 1 1 58 58 GLY HA2 H 1 4.230 0.005 . 2 . . . A 58 GLY HA2 . 17635 1 704 . 1 1 58 58 GLY HA3 H 1 3.774 0.003 . 2 . . . A 58 GLY HA3 . 17635 1 705 . 1 1 58 58 GLY C C 13 177.876 0.004 . 1 . . . A 58 GLY C . 17635 1 706 . 1 1 58 58 GLY CA C 13 46.364 0.055 . 1 . . . A 58 GLY CA . 17635 1 707 . 1 1 58 58 GLY N N 15 108.514 0.022 . 1 . . . A 58 GLY N . 17635 1 708 . 1 1 59 59 GLU H H 1 7.202 0.007 . 1 . . . A 59 GLU H . 17635 1 709 . 1 1 59 59 GLU HA H 1 5.521 0.004 . 1 . . . A 59 GLU HA . 17635 1 710 . 1 1 59 59 GLU HB2 H 1 1.991 0.007 . 2 . . . A 59 GLU HB2 . 17635 1 711 . 1 1 59 59 GLU HB3 H 1 1.852 0.007 . 2 . . . A 59 GLU HB3 . 17635 1 712 . 1 1 59 59 GLU HG2 H 1 2.221 0.009 . 2 . . . A 59 GLU HG2 . 17635 1 713 . 1 1 59 59 GLU HG3 H 1 2.148 0.005 . 2 . . . . 59 GLU HG3 . 17635 1 714 . 1 1 59 59 GLU C C 13 173.860 0.000 . 1 . . . A 59 GLU C . 17635 1 715 . 1 1 59 59 GLU CA C 13 53.025 0.041 . 1 . . . A 59 GLU CA . 17635 1 716 . 1 1 59 59 GLU CB C 13 34.304 0.054 . 1 . . . A 59 GLU CB . 17635 1 717 . 1 1 59 59 GLU CG C 13 36.449 0.021 . 1 . . . A 59 GLU CG . 17635 1 718 . 1 1 59 59 GLU N N 15 116.119 0.035 . 1 . . . A 59 GLU N . 17635 1 719 . 1 1 60 60 ALA H H 1 8.930 0.006 . 1 . . . A 60 ALA H . 17635 1 720 . 1 1 60 60 ALA HA H 1 5.607 0.011 . 1 . . . A 60 ALA HA . 17635 1 721 . 1 1 60 60 ALA HB1 H 1 0.972 0.007 . 1 . . . . 60 ALA HB1 . 17635 1 722 . 1 1 60 60 ALA HB2 H 1 0.972 0.007 . 1 . . . A 60 ALA HB2 . 17635 1 723 . 1 1 60 60 ALA HB3 H 1 0.972 0.007 . 1 . . . A 60 ALA HB3 . 17635 1 724 . 1 1 60 60 ALA C C 13 173.923 0.000 . 1 . . . A 60 ALA C . 17635 1 725 . 1 1 60 60 ALA CA C 13 50.943 0.027 . 1 . . . A 60 ALA CA . 17635 1 726 . 1 1 60 60 ALA CB C 13 24.059 0.059 . 1 . . . A 60 ALA CB . 17635 1 727 . 1 1 60 60 ALA N N 15 123.607 0.044 . 1 . . . A 60 ALA N . 17635 1 728 . 1 1 61 61 THR H H 1 8.452 0.006 . 1 . . . A 61 THR H . 17635 1 729 . 1 1 61 61 THR HA H 1 5.743 0.007 . 1 . . . A 61 THR HA . 17635 1 730 . 1 1 61 61 THR HB H 1 4.112 0.006 . 1 . . . A 61 THR HB . 17635 1 731 . 1 1 61 61 THR HG21 H 1 1.461 0.007 . 1 . . . A 61 THR HG21 . 17635 1 732 . 1 1 61 61 THR HG22 H 1 1.461 0.007 . 1 . . . A 61 THR HG22 . 17635 1 733 . 1 1 61 61 THR HG23 H 1 1.461 0.007 . 1 . . . A 61 THR HG23 . 17635 1 734 . 1 1 61 61 THR C C 13 176.172 0.000 . 1 . . . A 61 THR C . 17635 1 735 . 1 1 61 61 THR CA C 13 59.625 0.069 . 1 . . . A 61 THR CA . 17635 1 736 . 1 1 61 61 THR CB C 13 71.224 0.062 . 1 . . . A 61 THR CB . 17635 1 737 . 1 1 61 61 THR CG2 C 13 22.522 0.044 . 1 . . . A 61 THR CG2 . 17635 1 738 . 1 1 61 61 THR N N 15 108.384 0.034 . 1 . . . A 61 THR N . 17635 1 739 . 1 1 62 62 VAL H H 1 8.071 0.006 . 1 . . . A 62 VAL H . 17635 1 740 . 1 1 62 62 VAL HA H 1 4.244 0.003 . 1 . . . A 62 VAL HA . 17635 1 741 . 1 1 62 62 VAL HB H 1 1.354 0.007 . 1 . . . A 62 VAL HB . 17635 1 742 . 1 1 62 62 VAL HG11 H 1 0.300 0.008 . 2 . . . A 62 VAL HG11 . 17635 1 743 . 1 1 62 62 VAL HG12 H 1 0.300 0.008 . 2 . . . A 62 VAL HG12 . 17635 1 744 . 1 1 62 62 VAL HG13 H 1 0.300 0.008 . 2 . . . A 62 VAL HG13 . 17635 1 745 . 1 1 62 62 VAL HG21 H 1 0.008 0.008 . 2 . . . A 62 VAL HG21 . 17635 1 746 . 1 1 62 62 VAL HG22 H 1 0.008 0.008 . 2 . . . A 62 VAL HG22 . 17635 1 747 . 1 1 62 62 VAL HG23 H 1 0.008 0.008 . 2 . . . A 62 VAL HG23 . 17635 1 748 . 1 1 62 62 VAL C C 13 175.994 0.000 . 1 . . . A 62 VAL C . 17635 1 749 . 1 1 62 62 VAL CA C 13 61.426 0.032 . 1 . . . A 62 VAL CA . 17635 1 750 . 1 1 62 62 VAL CB C 13 34.685 0.036 . 1 . . . A 62 VAL CB . 17635 1 751 . 1 1 62 62 VAL CG1 C 13 19.940 0.035 . 2 . . . A 62 VAL CG1 . 17635 1 752 . 1 1 62 62 VAL CG2 C 13 20.840 0.048 . 2 . . . A 62 VAL CG2 . 17635 1 753 . 1 1 62 62 VAL N N 15 120.200 0.052 . 1 . . . A 62 VAL N . 17635 1 754 . 1 1 63 63 SER H H 1 7.695 0.005 . 1 . . . A 63 SER H . 17635 1 755 . 1 1 63 63 SER HA H 1 5.261 0.011 . 1 . . . A 63 SER HA . 17635 1 756 . 1 1 63 63 SER HB2 H 1 3.669 0.008 . 2 . . . A 63 SER HB3 . 17635 1 757 . 1 1 63 63 SER C C 13 177.943 0.000 . 1 . . . A 63 SER C . 17635 1 758 . 1 1 63 63 SER CA C 13 57.662 0.084 . 1 . . . A 63 SER CA . 17635 1 759 . 1 1 63 63 SER CB C 13 64.427 0.028 . 1 . . . A 63 SER CB . 17635 1 760 . 1 1 63 63 SER N N 15 121.689 0.054 . 1 . . . A 63 SER N . 17635 1 761 . 1 1 64 64 PHE H H 1 9.025 0.008 . 1 . . . A 64 PHE H . 17635 1 762 . 1 1 64 64 PHE HA H 1 4.854 0.006 . 1 . . . A 64 PHE HA . 17635 1 763 . 1 1 64 64 PHE HB2 H 1 3.456 0.006 . 2 . . . A 64 PHE HB2 . 17635 1 764 . 1 1 64 64 PHE HB3 H 1 2.798 0.007 . 2 . . . A 64 PHE HB3 . 17635 1 765 . 1 1 64 64 PHE HD1 H 1 7.042 0.007 . 3 . . . A 64 PHE HD2 . 17635 1 766 . 1 1 64 64 PHE C C 13 174.605 0.000 . 1 . . . A 64 PHE C . 17635 1 767 . 1 1 64 64 PHE CA C 13 58.204 0.007 . 1 . . . A 64 PHE CA . 17635 1 768 . 1 1 64 64 PHE CB C 13 41.976 0.030 . 1 . . . A 64 PHE CB . 17635 1 769 . 1 1 64 64 PHE CD1 C 13 131.385 0.311 . 3 . . . A 64 PHE CD2 . 17635 1 770 . 1 1 64 64 PHE N N 15 122.640 0.046 . 1 . . . A 64 PHE N . 17635 1 771 . 1 1 65 65 ASP H H 1 8.512 0.005 . 1 . . . A 65 ASP H . 17635 1 772 . 1 1 65 65 ASP HA H 1 4.435 0.003 . 1 . . . A 65 ASP HA . 17635 1 773 . 1 1 65 65 ASP HB2 H 1 2.609 0.010 . 2 . . . A 65 ASP HB2 . 17635 1 774 . 1 1 65 65 ASP HB3 H 1 2.420 0.005 . 2 . . . A 65 ASP HB3 . 17635 1 775 . 1 1 65 65 ASP C C 13 174.396 0.000 . 1 . . . A 65 ASP C . 17635 1 776 . 1 1 65 65 ASP CA C 13 57.442 0.000 . 1 . . . A 65 ASP CA . 17635 1 777 . 1 1 65 65 ASP CB C 13 42.034 0.039 . 1 . . . A 65 ASP CB . 17635 1 778 . 1 1 65 65 ASP N N 15 119.943 0.046 . 1 . . . A 65 ASP N . 17635 1 779 . 1 1 66 66 ASP H H 1 8.323 0.007 . 1 . . . A 66 ASP H . 17635 1 780 . 1 1 66 66 ASP HA H 1 5.399 0.005 . 1 . . . A 66 ASP HA . 17635 1 781 . 1 1 66 66 ASP HB2 H 1 2.815 0.006 . 2 . . . A 66 ASP HB2 . 17635 1 782 . 1 1 66 66 ASP HB3 H 1 2.737 0.007 . 2 . . . A 66 ASP HB3 . 17635 1 783 . 1 1 66 66 ASP C C 13 175.936 0.000 . 1 . . . A 66 ASP C . 17635 1 784 . 1 1 66 66 ASP CA C 13 50.793 0.070 . 1 . . . A 66 ASP CA . 17635 1 785 . 1 1 66 66 ASP CB C 13 42.919 0.039 . 1 . . . A 66 ASP CB . 17635 1 786 . 1 1 66 66 ASP N N 15 116.125 0.082 . 1 . . . A 66 ASP N . 17635 1 787 . 1 1 67 67 PRO HA H 1 4.450 0.008 . 1 . . . A 67 PRO HA . 17635 1 788 . 1 1 67 67 PRO HB2 H 1 2.218 0.002 . 2 . . . A 67 PRO HB2 . 17635 1 789 . 1 1 67 67 PRO HB3 H 1 2.197 0.002 . 2 . . . A 67 PRO HB3 . 17635 1 790 . 1 1 67 67 PRO HG2 H 1 2.377 0.003 . 2 . . . A 67 PRO HG2 . 17635 1 791 . 1 1 67 67 PRO HG3 H 1 1.843 0.005 . 2 . . . . 67 PRO HG3 . 17635 1 792 . 1 1 67 67 PRO HD2 H 1 4.251 0.002 . 2 . . . A 67 PRO HD2 . 17635 1 793 . 1 1 67 67 PRO HD3 H 1 3.912 0.004 . 2 . . . . 67 PRO HD3 . 17635 1 794 . 1 1 67 67 PRO CA C 13 66.924 0.045 . 1 . . . A 67 PRO CA . 17635 1 795 . 1 1 67 67 PRO CB C 13 29.830 0.009 . 1 . . . A 67 PRO CB . 17635 1 796 . 1 1 67 67 PRO CG C 13 28.312 0.039 . 1 . . . A 67 PRO CG . 17635 1 797 . 1 1 67 67 PRO CD C 13 51.216 0.033 . 1 . . . A 67 PRO CD . 17635 1 798 . 1 1 68 68 PRO HA H 1 4.419 0.006 . 1 . . . A 68 PRO HA . 17635 1 799 . 1 1 68 68 PRO HB2 H 1 2.401 0.003 . 2 . . . A 68 PRO HB2 . 17635 1 800 . 1 1 68 68 PRO HB3 H 1 1.862 0.009 . 2 . . . A 68 PRO HB3 . 17635 1 801 . 1 1 68 68 PRO HG2 H 1 2.131 0.004 . 2 . . . A 68 PRO HG2 . 17635 1 802 . 1 1 68 68 PRO HG3 H 1 2.018 0.004 . 2 . . . . 68 PRO HG3 . 17635 1 803 . 1 1 68 68 PRO HD2 H 1 3.743 0.009 . 2 . . . A 68 PRO HD2 . 17635 1 804 . 1 1 68 68 PRO HD3 H 1 3.505 0.005 . 2 . . . . 68 PRO HD3 . 17635 1 805 . 1 1 68 68 PRO C C 13 171.345 0.000 . 1 . . . A 68 PRO C . 17635 1 806 . 1 1 68 68 PRO CA C 13 66.235 0.035 . 1 . . . A 68 PRO CA . 17635 1 807 . 1 1 68 68 PRO CB C 13 30.997 0.039 . 1 . . . A 68 PRO CB . 17635 1 808 . 1 1 68 68 PRO CG C 13 28.298 0.051 . 1 . . . A 68 PRO CG . 17635 1 809 . 1 1 68 68 PRO CD C 13 50.624 0.034 . 1 . . . A 68 PRO CD . 17635 1 810 . 1 1 69 69 SER H H 1 8.004 0.004 . 1 . . . A 69 SER H . 17635 1 811 . 1 1 69 69 SER HA H 1 4.036 0.008 . 1 . . . A 69 SER HA . 17635 1 812 . 1 1 69 69 SER HB2 H 1 3.895 0.005 . 2 . . . A 69 SER HB2 . 17635 1 813 . 1 1 69 69 SER HB3 H 1 3.050 0.010 . 2 . . . A 69 SER HB3 . 17635 1 814 . 1 1 69 69 SER C C 13 176.535 0.000 . 1 . . . A 69 SER C . 17635 1 815 . 1 1 69 69 SER CA C 13 61.837 0.017 . 1 . . . A 69 SER CA . 17635 1 816 . 1 1 69 69 SER CB C 13 62.773 0.135 . 1 . . . A 69 SER CB . 17635 1 817 . 1 1 69 69 SER N N 15 114.544 0.045 . 1 . . . A 69 SER N . 17635 1 818 . 1 1 70 70 ALA H H 1 7.383 0.006 . 1 . . . A 70 ALA H . 17635 1 819 . 1 1 70 70 ALA HA H 1 3.593 0.006 . 1 . . . A 70 ALA HA . 17635 1 820 . 1 1 70 70 ALA HB1 H 1 1.608 0.007 . 1 . . . . 70 ALA HB1 . 17635 1 821 . 1 1 70 70 ALA HB2 H 1 1.608 0.007 . 1 . . . A 70 ALA HB2 . 17635 1 822 . 1 1 70 70 ALA HB3 H 1 1.608 0.007 . 1 . . . A 70 ALA HB3 . 17635 1 823 . 1 1 70 70 ALA C C 13 172.686 0.000 . 1 . . . A 70 ALA C . 17635 1 824 . 1 1 70 70 ALA CA C 13 55.036 0.018 . 1 . . . A 70 ALA CA . 17635 1 825 . 1 1 70 70 ALA CB C 13 17.864 0.019 . 1 . . . A 70 ALA CB . 17635 1 826 . 1 1 70 70 ALA N N 15 122.649 0.027 . 1 . . . A 70 ALA N . 17635 1 827 . 1 1 71 71 LYS H H 1 7.159 0.008 . 1 . . . A 71 LYS H . 17635 1 828 . 1 1 71 71 LYS HA H 1 3.775 0.005 . 1 . . . A 71 LYS HA . 17635 1 829 . 1 1 71 71 LYS HB2 H 1 2.166 0.007 . 2 . . . A 71 LYS HB2 . 17635 1 830 . 1 1 71 71 LYS HB3 H 1 1.997 0.004 . 2 . . . A 71 LYS HB3 . 17635 1 831 . 1 1 71 71 LYS HG2 H 1 1.591 0.007 . 2 . . . A 71 LYS HG2 . 17635 1 832 . 1 1 71 71 LYS HD2 H 1 1.892 0.006 . 2 . . . A 71 LYS HD2 . 17635 1 833 . 1 1 71 71 LYS HE2 H 1 3.132 0.012 . 2 . . . A 71 LYS HE2 . 17635 1 834 . 1 1 71 71 LYS HE3 H 1 3.101 0.002 . 2 . . . . 71 LYS HE3 . 17635 1 835 . 1 1 71 71 LYS C C 13 172.333 0.000 . 1 . . . A 71 LYS C . 17635 1 836 . 1 1 71 71 LYS CA C 13 59.002 0.055 . 1 . . . A 71 LYS CA . 17635 1 837 . 1 1 71 71 LYS CB C 13 32.442 0.068 . 1 . . . A 71 LYS CB . 17635 1 838 . 1 1 71 71 LYS CG C 13 25.067 0.043 . 1 . . . A 71 LYS CG . 17635 1 839 . 1 1 71 71 LYS CD C 13 28.731 0.020 . 1 . . . A 71 LYS CD . 17635 1 840 . 1 1 71 71 LYS CE C 13 42.484 0.060 . 1 . . . A 71 LYS CE . 17635 1 841 . 1 1 71 71 LYS N N 15 116.308 0.039 . 1 . . . A 71 LYS N . 17635 1 842 . 1 1 72 72 ALA H H 1 7.924 0.004 . 1 . . . A 72 ALA H . 17635 1 843 . 1 1 72 72 ALA HA H 1 4.166 0.005 . 1 . . . A 72 ALA HA . 17635 1 844 . 1 1 72 72 ALA HB1 H 1 1.410 0.006 . 1 . . . . 72 ALA HB1 . 17635 1 845 . 1 1 72 72 ALA HB2 H 1 1.410 0.006 . 1 . . . A 72 ALA HB2 . 17635 1 846 . 1 1 72 72 ALA HB3 H 1 1.410 0.006 . 1 . . . A 72 ALA HB3 . 17635 1 847 . 1 1 72 72 ALA C C 13 170.530 0.000 . 1 . . . A 72 ALA C . 17635 1 848 . 1 1 72 72 ALA CA C 13 54.715 0.035 . 1 . . . A 72 ALA CA . 17635 1 849 . 1 1 72 72 ALA CB C 13 17.820 0.021 . 1 . . . A 72 ALA CB . 17635 1 850 . 1 1 72 72 ALA N N 15 119.806 0.050 . 1 . . . A 72 ALA N . 17635 1 851 . 1 1 73 73 ALA H H 1 8.104 0.006 . 1 . . . A 73 ALA H . 17635 1 852 . 1 1 73 73 ALA HA H 1 4.279 0.008 . 1 . . . A 73 ALA HA . 17635 1 853 . 1 1 73 73 ALA HB1 H 1 1.658 0.005 . 1 . . . . 73 ALA HB1 . 17635 1 854 . 1 1 73 73 ALA HB2 H 1 1.658 0.005 . 1 . . . A 73 ALA HB2 . 17635 1 855 . 1 1 73 73 ALA HB3 H 1 1.658 0.005 . 1 . . . A 73 ALA HB3 . 17635 1 856 . 1 1 73 73 ALA C C 13 171.039 0.000 . 1 . . . A 73 ALA C . 17635 1 857 . 1 1 73 73 ALA CA C 13 55.379 0.116 . 1 . . . A 73 ALA CA . 17635 1 858 . 1 1 73 73 ALA CB C 13 19.131 0.027 . 1 . . . A 73 ALA CB . 17635 1 859 . 1 1 73 73 ALA N N 15 120.524 0.057 . 1 . . . A 73 ALA N . 17635 1 860 . 1 1 74 74 ILE H H 1 7.574 0.006 . 1 . . . A 74 ILE H . 17635 1 861 . 1 1 74 74 ILE HA H 1 3.414 0.006 . 1 . . . A 74 ILE HA . 17635 1 862 . 1 1 74 74 ILE HB H 1 1.720 0.006 . 1 . . . A 74 ILE HB . 17635 1 863 . 1 1 74 74 ILE HG12 H 1 1.441 0.008 . 2 . . . A 74 ILE HG12 . 17635 1 864 . 1 1 74 74 ILE HG13 H 1 0.351 0.009 . 2 . . . . 74 ILE HG13 . 17635 1 865 . 1 1 74 74 ILE HG21 H 1 0.859 0.009 . 1 . . . A 74 ILE HG21 . 17635 1 866 . 1 1 74 74 ILE HG22 H 1 0.859 0.009 . 1 . . . A 74 ILE HG22 . 17635 1 867 . 1 1 74 74 ILE HG23 H 1 0.859 0.009 . 1 . . . A 74 ILE HG23 . 17635 1 868 . 1 1 74 74 ILE HD11 H 1 -0.202 0.004 . 1 . . . A 74 ILE HD11 . 17635 1 869 . 1 1 74 74 ILE HD12 H 1 -0.202 0.004 . 1 . . . A 74 ILE HD12 . 17635 1 870 . 1 1 74 74 ILE HD13 H 1 -0.202 0.004 . 1 . . . A 74 ILE HD13 . 17635 1 871 . 1 1 74 74 ILE C C 13 172.435 0.000 . 1 . . . A 74 ILE C . 17635 1 872 . 1 1 74 74 ILE CA C 13 65.844 0.055 . 1 . . . A 74 ILE CA . 17635 1 873 . 1 1 74 74 ILE CB C 13 38.743 0.032 . 1 . . . A 74 ILE CB . 17635 1 874 . 1 1 74 74 ILE CG1 C 13 29.428 0.052 . 1 . . . A 74 ILE CG1 . 17635 1 875 . 1 1 74 74 ILE CG2 C 13 17.009 0.044 . 1 . . . A 74 ILE CG2 . 17635 1 876 . 1 1 74 74 ILE CD1 C 13 13.335 0.029 . 1 . . . A 74 ILE CD1 . 17635 1 877 . 1 1 74 74 ILE N N 15 119.875 0.030 . 1 . . . A 74 ILE N . 17635 1 878 . 1 1 75 75 ASP H H 1 7.937 0.008 . 1 . . . A 75 ASP H . 17635 1 879 . 1 1 75 75 ASP HA H 1 4.311 0.004 . 1 . . . A 75 ASP HA . 17635 1 880 . 1 1 75 75 ASP HB2 H 1 2.739 0.008 . 2 . . . A 75 ASP HB2 . 17635 1 881 . 1 1 75 75 ASP HB3 H 1 2.630 0.004 . 2 . . . A 75 ASP HB3 . 17635 1 882 . 1 1 75 75 ASP C C 13 172.054 0.000 . 1 . . . A 75 ASP C . 17635 1 883 . 1 1 75 75 ASP CA C 13 57.161 0.047 . 1 . . . A 75 ASP CA . 17635 1 884 . 1 1 75 75 ASP CB C 13 40.531 0.008 . 1 . . . A 75 ASP CB . 17635 1 885 . 1 1 75 75 ASP N N 15 117.867 0.035 . 1 . . . A 75 ASP N . 17635 1 886 . 1 1 76 76 TRP H H 1 8.475 0.004 . 1 . . . A 76 TRP H . 17635 1 887 . 1 1 76 76 TRP HA H 1 4.356 0.008 . 1 . . . A 76 TRP HA . 17635 1 888 . 1 1 76 76 TRP HB2 H 1 3.096 0.009 . 2 . . . A 76 TRP HB2 . 17635 1 889 . 1 1 76 76 TRP HB3 H 1 2.544 0.008 . 2 . . . A 76 TRP HB3 . 17635 1 890 . 1 1 76 76 TRP HD1 H 1 5.240 0.006 . 1 . . . A 76 TRP HD1 . 17635 1 891 . 1 1 76 76 TRP HE1 H 1 9.783 0.003 . 1 . . . A 76 TRP HE1 . 17635 1 892 . 1 1 76 76 TRP HE3 H 1 7.400 0.012 . 1 . . . A 76 TRP HE3 . 17635 1 893 . 1 1 76 76 TRP HZ2 H 1 7.335 0.004 . 1 . . . A 76 TRP HZ2 . 17635 1 894 . 1 1 76 76 TRP HZ3 H 1 7.022 0.012 . 1 . . . A 76 TRP HZ3 . 17635 1 895 . 1 1 76 76 TRP HH2 H 1 7.140 0.007 . 1 . . . A 76 TRP HH2 . 17635 1 896 . 1 1 76 76 TRP C C 13 173.272 0.008 . 1 . . . A 76 TRP C . 17635 1 897 . 1 1 76 76 TRP CA C 13 59.462 0.053 . 1 . . . A 76 TRP CA . 17635 1 898 . 1 1 76 76 TRP CB C 13 30.777 0.027 . 1 . . . A 76 TRP CB . 17635 1 899 . 1 1 76 76 TRP CD1 C 13 126.817 0.093 . 1 . . . A 76 TRP CD1 . 17635 1 900 . 1 1 76 76 TRP CE3 C 13 120.915 0.159 . 1 . . . A 76 TRP CE3 . 17635 1 901 . 1 1 76 76 TRP CZ2 C 13 114.228 0.045 . 1 . . . A 76 TRP CZ2 . 17635 1 902 . 1 1 76 76 TRP CH2 C 13 124.420 0.011 . 1 . . . A 76 TRP CH2 . 17635 1 903 . 1 1 76 76 TRP N N 15 117.313 0.034 . 1 . . . A 76 TRP N . 17635 1 904 . 1 1 76 76 TRP NE1 N 15 128.097 0.016 . 1 . . . A 76 TRP NE1 . 17635 1 905 . 1 1 77 77 PHE H H 1 8.488 0.006 . 1 . . . A 77 PHE H . 17635 1 906 . 1 1 77 77 PHE HA H 1 4.648 0.008 . 1 . . . A 77 PHE HA . 17635 1 907 . 1 1 77 77 PHE HB2 H 1 3.462 0.012 . 2 . . . A 77 PHE HB3 . 17635 1 908 . 1 1 77 77 PHE HD1 H 1 7.561 0.005 . 3 . . . A 77 PHE HD1 . 17635 1 909 . 1 1 77 77 PHE HE1 H 1 6.986 0.008 . 3 . . . A 77 PHE HE1 . 17635 1 910 . 1 1 77 77 PHE HZ H 1 6.836 0.012 . 1 . . . A 77 PHE HZ . 17635 1 911 . 1 1 77 77 PHE C C 13 173.747 0.000 . 1 . . . A 77 PHE C . 17635 1 912 . 1 1 77 77 PHE CA C 13 59.921 0.000 . 1 . . . A 77 PHE CA . 17635 1 913 . 1 1 77 77 PHE CB C 13 40.730 0.020 . 1 . . . A 77 PHE CB . 17635 1 914 . 1 1 77 77 PHE CD1 C 13 132.090 0.184 . 3 . . . A 77 PHE CD1 . 17635 1 915 . 1 1 77 77 PHE CE1 C 13 131.749 0.060 . 3 . . . A 77 PHE CE1 . 17635 1 916 . 1 1 77 77 PHE CZ C 13 128.357 0.010 . 1 . . . A 77 PHE CZ . 17635 1 917 . 1 1 77 77 PHE N N 15 112.019 0.047 . 1 . . . A 77 PHE N . 17635 1 918 . 1 1 78 78 ASP H H 1 7.978 0.004 . 1 . . . A 78 ASP H . 17635 1 919 . 1 1 78 78 ASP HA H 1 4.464 0.005 . 1 . . . A 78 ASP HA . 17635 1 920 . 1 1 78 78 ASP HB2 H 1 3.206 0.006 . 2 . . . A 78 ASP HB2 . 17635 1 921 . 1 1 78 78 ASP HB3 H 1 2.770 0.006 . 2 . . . A 78 ASP HB3 . 17635 1 922 . 1 1 78 78 ASP C C 13 172.542 0.000 . 1 . . . A 78 ASP C . 17635 1 923 . 1 1 78 78 ASP CA C 13 58.690 0.000 . 1 . . . A 78 ASP CA . 17635 1 924 . 1 1 78 78 ASP CB C 13 41.886 0.025 . 1 . . . A 78 ASP CB . 17635 1 925 . 1 1 78 78 ASP N N 15 118.408 0.064 . 1 . . . A 78 ASP N . 17635 1 926 . 1 1 79 79 GLY H H 1 8.615 0.005 . 1 . . . A 79 GLY H . 17635 1 927 . 1 1 79 79 GLY HA2 H 1 4.263 0.006 . 2 . . . A 79 GLY HA2 . 17635 1 928 . 1 1 79 79 GLY HA3 H 1 3.887 0.002 . 2 . . . A 79 GLY HA3 . 17635 1 929 . 1 1 79 79 GLY C C 13 175.680 0.000 . 1 . . . A 79 GLY C . 17635 1 930 . 1 1 79 79 GLY CA C 13 46.072 0.043 . 1 . . . A 79 GLY CA . 17635 1 931 . 1 1 79 79 GLY N N 15 115.548 0.032 . 1 . . . A 79 GLY N . 17635 1 932 . 1 1 80 80 LYS H H 1 8.013 0.006 . 1 . . . A 80 LYS H . 17635 1 933 . 1 1 80 80 LYS HA H 1 4.462 0.005 . 1 . . . A 80 LYS HA . 17635 1 934 . 1 1 80 80 LYS HB2 H 1 2.302 0.006 . 2 . . . A 80 LYS HB2 . 17635 1 935 . 1 1 80 80 LYS HB3 H 1 2.078 0.006 . 2 . . . A 80 LYS HB3 . 17635 1 936 . 1 1 80 80 LYS HG2 H 1 1.504 0.005 . 2 . . . A 80 LYS HG2 . 17635 1 937 . 1 1 80 80 LYS HG3 H 1 1.261 0.006 . 2 . . . . 80 LYS HG3 . 17635 1 938 . 1 1 80 80 LYS HD2 H 1 1.430 0.008 . 2 . . . A 80 LYS HD2 . 17635 1 939 . 1 1 80 80 LYS HD3 H 1 1.545 0.007 . 2 . . . . 80 LYS HD3 . 17635 1 940 . 1 1 80 80 LYS HE2 H 1 2.667 0.003 . 2 . . . A 80 LYS HE2 . 17635 1 941 . 1 1 80 80 LYS HE3 H 1 2.451 0.006 . 2 . . . . 80 LYS HE3 . 17635 1 942 . 1 1 80 80 LYS C C 13 175.853 0.018 . 1 . . . A 80 LYS C . 17635 1 943 . 1 1 80 80 LYS CA C 13 55.150 0.049 . 1 . . . A 80 LYS CA . 17635 1 944 . 1 1 80 80 LYS CB C 13 32.426 0.063 . 1 . . . A 80 LYS CB . 17635 1 945 . 1 1 80 80 LYS CG C 13 26.439 0.027 . 1 . . . A 80 LYS CG . 17635 1 946 . 1 1 80 80 LYS CD C 13 28.067 0.021 . 1 . . . A 80 LYS CD . 17635 1 947 . 1 1 80 80 LYS CE C 13 42.494 0.037 . 1 . . . A 80 LYS CE . 17635 1 948 . 1 1 80 80 LYS N N 15 120.271 0.040 . 1 . . . A 80 LYS N . 17635 1 949 . 1 1 81 81 GLU H H 1 8.201 0.005 . 1 . . . A 81 GLU H . 17635 1 950 . 1 1 81 81 GLU HA H 1 4.698 0.009 . 1 . . . A 81 GLU HA . 17635 1 951 . 1 1 81 81 GLU HB2 H 1 1.888 0.011 . 2 . . . A 81 GLU HB2 . 17635 1 952 . 1 1 81 81 GLU HB3 H 1 1.565 0.005 . 2 . . . A 81 GLU HB3 . 17635 1 953 . 1 1 81 81 GLU HG2 H 1 2.206 0.010 . 2 . . . A 81 GLU HG2 . 17635 1 954 . 1 1 81 81 GLU HG3 H 1 1.812 0.007 . 2 . . . . 81 GLU HG3 . 17635 1 955 . 1 1 81 81 GLU C C 13 173.263 0.000 . 1 . . . A 81 GLU C . 17635 1 956 . 1 1 81 81 GLU CA C 13 55.924 0.004 . 1 . . . A 81 GLU CA . 17635 1 957 . 1 1 81 81 GLU CB C 13 32.042 0.048 . 1 . . . A 81 GLU CB . 17635 1 958 . 1 1 81 81 GLU CG C 13 36.346 0.070 . 1 . . . A 81 GLU CG . 17635 1 959 . 1 1 81 81 GLU N N 15 115.765 0.042 . 1 . . . A 81 GLU N . 17635 1 960 . 1 1 82 82 PHE H H 1 9.162 0.005 . 1 . . . A 82 PHE H . 17635 1 961 . 1 1 82 82 PHE HA H 1 4.496 0.010 . 1 . . . A 82 PHE HA . 17635 1 962 . 1 1 82 82 PHE HB2 H 1 2.877 0.005 . 2 . . . A 82 PHE HB2 . 17635 1 963 . 1 1 82 82 PHE HB3 H 1 2.181 0.004 . 2 . . . A 82 PHE HB3 . 17635 1 964 . 1 1 82 82 PHE HD1 H 1 6.219 0.002 . 3 . . . A 82 PHE HD1 . 17635 1 965 . 1 1 82 82 PHE HE1 H 1 6.952 0.008 . 3 . . . A 82 PHE HE1 . 17635 1 966 . 1 1 82 82 PHE C C 13 175.349 0.000 . 1 . . . A 82 PHE C . 17635 1 967 . 1 1 82 82 PHE CA C 13 56.716 0.007 . 1 . . . A 82 PHE CA . 17635 1 968 . 1 1 82 82 PHE CB C 13 41.994 0.018 . 1 . . . A 82 PHE CB . 17635 1 969 . 1 1 82 82 PHE CD1 C 13 132.136 0.225 . 3 . . . A 82 PHE CD1 . 17635 1 970 . 1 1 82 82 PHE CE1 C 13 131.178 0.388 . 3 . . . A 82 PHE CE1 . 17635 1 971 . 1 1 82 82 PHE N N 15 127.080 0.036 . 1 . . . A 82 PHE N . 17635 1 972 . 1 1 83 83 SER H H 1 9.193 0.006 . 1 . . . A 83 SER H . 17635 1 973 . 1 1 83 83 SER HA H 1 3.803 0.004 . 1 . . . A 83 SER HA . 17635 1 974 . 1 1 83 83 SER HB2 H 1 3.996 0.007 . 2 . . . A 83 SER HB2 . 17635 1 975 . 1 1 83 83 SER HB3 H 1 3.439 0.005 . 2 . . . A 83 SER HB3 . 17635 1 976 . 1 1 83 83 SER C C 13 175.543 0.000 . 1 . . . A 83 SER C . 17635 1 977 . 1 1 83 83 SER CA C 13 58.371 0.014 . 1 . . . A 83 SER CA . 17635 1 978 . 1 1 83 83 SER CB C 13 62.519 0.016 . 1 . . . A 83 SER CB . 17635 1 979 . 1 1 83 83 SER N N 15 125.136 0.066 . 1 . . . A 83 SER N . 17635 1 980 . 1 1 84 84 GLY H H 1 8.446 0.005 . 1 . . . A 84 GLY H . 17635 1 981 . 1 1 84 84 GLY HA2 H 1 4.164 0.007 . 2 . . . A 84 GLY HA2 . 17635 1 982 . 1 1 84 84 GLY HA3 H 1 3.605 0.004 . 2 . . . A 84 GLY HA3 . 17635 1 983 . 1 1 84 84 GLY C C 13 177.188 0.013 . 1 . . . A 84 GLY C . 17635 1 984 . 1 1 84 84 GLY CA C 13 45.052 0.026 . 1 . . . A 84 GLY CA . 17635 1 985 . 1 1 84 84 GLY N N 15 103.581 0.050 . 1 . . . A 84 GLY N . 17635 1 986 . 1 1 85 85 ASN H H 1 7.762 0.005 . 1 . . . A 85 ASN H . 17635 1 987 . 1 1 85 85 ASN HA H 1 5.334 0.003 . 1 . . . A 85 ASN HA . 17635 1 988 . 1 1 85 85 ASN HB2 H 1 2.915 0.011 . 2 . . . A 85 ASN HB3 . 17635 1 989 . 1 1 85 85 ASN HD21 H 1 7.368 0.007 . 2 . . . A 85 ASN HD21 . 17635 1 990 . 1 1 85 85 ASN HD22 H 1 7.035 0.004 . 2 . . . A 85 ASN HD22 . 17635 1 991 . 1 1 85 85 ASN C C 13 178.020 0.000 . 1 . . . A 85 ASN C . 17635 1 992 . 1 1 85 85 ASN CA C 13 50.471 0.036 . 1 . . . A 85 ASN CA . 17635 1 993 . 1 1 85 85 ASN CB C 13 41.117 0.049 . 1 . . . A 85 ASN CB . 17635 1 994 . 1 1 85 85 ASN CG C 13 173.345 0.008 . 1 . . . A 85 ASN CG . 17635 1 995 . 1 1 85 85 ASN N N 15 119.051 0.072 . 1 . . . A 85 ASN N . 17635 1 996 . 1 1 85 85 ASN ND2 N 15 114.688 0.268 . 1 . . . A 85 ASN ND2 . 17635 1 997 . 1 1 86 86 PRO HA H 1 4.667 0.008 . 1 . . . A 86 PRO HA . 17635 1 998 . 1 1 86 86 PRO HB2 H 1 2.170 0.003 . 2 . . . A 86 PRO HB2 . 17635 1 999 . 1 1 86 86 PRO HB3 H 1 1.873 0.007 . 2 . . . A 86 PRO HB3 . 17635 1 1000 . 1 1 86 86 PRO HG2 H 1 2.176 0.004 . 2 . . . A 86 PRO HG2 . 17635 1 1001 . 1 1 86 86 PRO HG3 H 1 2.025 0.004 . 2 . . . . 86 PRO HG3 . 17635 1 1002 . 1 1 86 86 PRO HD2 H 1 3.934 0.006 . 2 . . . A 86 PRO HD2 . 17635 1 1003 . 1 1 86 86 PRO HD3 H 1 3.802 0.005 . 2 . . . . 86 PRO HD3 . 17635 1 1004 . 1 1 86 86 PRO C C 13 173.474 0.000 . 1 . . . A 86 PRO C . 17635 1 1005 . 1 1 86 86 PRO CA C 13 62.710 0.008 . 1 . . . A 86 PRO CA . 17635 1 1006 . 1 1 86 86 PRO CB C 13 31.870 0.062 . 1 . . . A 86 PRO CB . 17635 1 1007 . 1 1 86 86 PRO CG C 13 27.698 0.068 . 1 . . . A 86 PRO CG . 17635 1 1008 . 1 1 86 86 PRO CD C 13 50.873 0.042 . 1 . . . A 86 PRO CD . 17635 1 1009 . 1 1 87 87 ILE H H 1 8.469 0.005 . 1 . . . A 87 ILE H . 17635 1 1010 . 1 1 87 87 ILE HA H 1 5.146 0.006 . 1 . . . A 87 ILE HA . 17635 1 1011 . 1 1 87 87 ILE HB H 1 1.805 0.003 . 1 . . . A 87 ILE HB . 17635 1 1012 . 1 1 87 87 ILE HG12 H 1 1.531 0.007 . 2 . . . A 87 ILE HG12 . 17635 1 1013 . 1 1 87 87 ILE HG13 H 1 1.375 0.009 . 2 . . . . 87 ILE HG13 . 17635 1 1014 . 1 1 87 87 ILE HG21 H 1 0.731 0.006 . 1 . . . A 87 ILE HG21 . 17635 1 1015 . 1 1 87 87 ILE HG22 H 1 0.731 0.006 . 1 . . . A 87 ILE HG22 . 17635 1 1016 . 1 1 87 87 ILE HG23 H 1 0.731 0.006 . 1 . . . A 87 ILE HG23 . 17635 1 1017 . 1 1 87 87 ILE HD11 H 1 0.790 0.003 . 1 . . . A 87 ILE HD11 . 17635 1 1018 . 1 1 87 87 ILE HD12 H 1 0.790 0.003 . 1 . . . A 87 ILE HD12 . 17635 1 1019 . 1 1 87 87 ILE HD13 H 1 0.790 0.003 . 1 . . . A 87 ILE HD13 . 17635 1 1020 . 1 1 87 87 ILE C C 13 174.495 0.000 . 1 . . . A 87 ILE C . 17635 1 1021 . 1 1 87 87 ILE CA C 13 59.491 0.031 . 1 . . . A 87 ILE CA . 17635 1 1022 . 1 1 87 87 ILE CB C 13 41.671 0.035 . 1 . . . A 87 ILE CB . 17635 1 1023 . 1 1 87 87 ILE CG1 C 13 24.920 0.041 . 1 . . . A 87 ILE CG1 . 17635 1 1024 . 1 1 87 87 ILE CG2 C 13 18.736 0.030 . 1 . . . A 87 ILE CG2 . 17635 1 1025 . 1 1 87 87 ILE CD1 C 13 15.114 0.041 . 1 . . . A 87 ILE CD1 . 17635 1 1026 . 1 1 87 87 ILE N N 15 117.270 0.052 . 1 . . . A 87 ILE N . 17635 1 1027 . 1 1 88 88 LYS H H 1 8.353 0.006 . 1 . . . A 88 LYS H . 17635 1 1028 . 1 1 88 88 LYS HA H 1 5.192 0.002 . 1 . . . A 88 LYS HA . 17635 1 1029 . 1 1 88 88 LYS HB2 H 1 1.824 0.005 . 2 . . . A 88 LYS HB2 . 17635 1 1030 . 1 1 88 88 LYS HB3 H 1 1.539 0.005 . 2 . . . A 88 LYS HB3 . 17635 1 1031 . 1 1 88 88 LYS HG2 H 1 1.492 0.004 . 2 . . . A 88 LYS HG2 . 17635 1 1032 . 1 1 88 88 LYS HG3 H 1 1.452 0.004 . 2 . . . . 88 LYS HG3 . 17635 1 1033 . 1 1 88 88 LYS HD2 H 1 1.694 0.004 . 2 . . . A 88 LYS HD2 . 17635 1 1034 . 1 1 88 88 LYS HE2 H 1 2.982 0.000 . 2 . . . A 88 LYS HE2 . 17635 1 1035 . 1 1 88 88 LYS C C 13 174.393 0.000 . 1 . . . A 88 LYS C . 17635 1 1036 . 1 1 88 88 LYS CA C 13 54.138 0.056 . 1 . . . A 88 LYS CA . 17635 1 1037 . 1 1 88 88 LYS CB C 13 35.049 0.034 . 1 . . . A 88 LYS CB . 17635 1 1038 . 1 1 88 88 LYS CG C 13 24.412 0.077 . 1 . . . A 88 LYS CG . 17635 1 1039 . 1 1 88 88 LYS CD C 13 28.839 0.031 . 1 . . . A 88 LYS CD . 17635 1 1040 . 1 1 88 88 LYS CE C 13 42.088 0.013 . 1 . . . A 88 LYS CE . 17635 1 1041 . 1 1 88 88 LYS N N 15 122.271 0.052 . 1 . . . A 88 LYS N . 17635 1 1042 . 1 1 89 89 VAL H H 1 9.414 0.004 . 1 . . . A 89 VAL H . 17635 1 1043 . 1 1 89 89 VAL HA H 1 4.963 0.006 . 1 . . . A 89 VAL HA . 17635 1 1044 . 1 1 89 89 VAL HB H 1 1.950 0.007 . 1 . . . A 89 VAL HB . 17635 1 1045 . 1 1 89 89 VAL HG11 H 1 1.104 0.006 . 2 . . . A 89 VAL HG11 . 17635 1 1046 . 1 1 89 89 VAL HG12 H 1 1.104 0.006 . 2 . . . A 89 VAL HG12 . 17635 1 1047 . 1 1 89 89 VAL HG13 H 1 1.104 0.006 . 2 . . . A 89 VAL HG13 . 17635 1 1048 . 1 1 89 89 VAL HG21 H 1 0.984 0.008 . 2 . . . A 89 VAL HG21 . 17635 1 1049 . 1 1 89 89 VAL HG22 H 1 0.984 0.008 . 2 . . . A 89 VAL HG22 . 17635 1 1050 . 1 1 89 89 VAL HG23 H 1 0.984 0.008 . 2 . . . A 89 VAL HG23 . 17635 1 1051 . 1 1 89 89 VAL C C 13 177.160 0.000 . 1 . . . A 89 VAL C . 17635 1 1052 . 1 1 89 89 VAL CA C 13 61.361 0.000 . 1 . . . A 89 VAL CA . 17635 1 1053 . 1 1 89 89 VAL CB C 13 34.770 0.028 . 1 . . . A 89 VAL CB . 17635 1 1054 . 1 1 89 89 VAL CG1 C 13 22.372 0.044 . 2 . . . A 89 VAL CG1 . 17635 1 1055 . 1 1 89 89 VAL CG2 C 13 24.305 0.062 . 2 . . . A 89 VAL CG2 . 17635 1 1056 . 1 1 89 89 VAL N N 15 125.661 0.038 . 1 . . . A 89 VAL N . 17635 1 1057 . 1 1 90 90 SER H H 1 8.945 0.005 . 1 . . . A 90 SER H . 17635 1 1058 . 1 1 90 90 SER HA H 1 4.710 0.008 . 1 . . . A 90 SER HA . 17635 1 1059 . 1 1 90 90 SER HB2 H 1 4.097 0.005 . 2 . . . A 90 SER HB2 . 17635 1 1060 . 1 1 90 90 SER HB3 H 1 3.978 0.006 . 2 . . . A 90 SER HB3 . 17635 1 1061 . 1 1 90 90 SER C C 13 176.533 0.000 . 1 . . . A 90 SER C . 17635 1 1062 . 1 1 90 90 SER CA C 13 56.936 0.000 . 1 . . . A 90 SER CA . 17635 1 1063 . 1 1 90 90 SER CB C 13 66.470 0.020 . 1 . . . A 90 SER CB . 17635 1 1064 . 1 1 90 90 SER N N 15 119.538 0.070 . 1 . . . A 90 SER N . 17635 1 1065 . 1 1 91 91 PHE H H 1 8.919 0.004 . 1 . . . A 91 PHE H . 17635 1 1066 . 1 1 91 91 PHE HA H 1 4.673 0.008 . 1 . . . A 91 PHE HA . 17635 1 1067 . 1 1 91 91 PHE HB2 H 1 3.082 0.008 . 2 . . . A 91 PHE HB2 . 17635 1 1068 . 1 1 91 91 PHE HB3 H 1 2.834 0.008 . 2 . . . A 91 PHE HB3 . 17635 1 1069 . 1 1 91 91 PHE HD1 H 1 7.324 0.010 . 3 . . . A 91 PHE HD1 . 17635 1 1070 . 1 1 91 91 PHE HE1 H 1 7.177 0.003 . 3 . . . A 91 PHE HE1 . 17635 1 1071 . 1 1 91 91 PHE C C 13 173.349 0.000 . 1 . . . A 91 PHE C . 17635 1 1072 . 1 1 91 91 PHE CA C 13 61.155 0.000 . 1 . . . A 91 PHE CA . 17635 1 1073 . 1 1 91 91 PHE CB C 13 39.503 0.048 . 1 . . . A 91 PHE CB . 17635 1 1074 . 1 1 91 91 PHE CE1 C 13 129.653 0.043 . 3 . . . A 91 PHE CE1 . 17635 1 1075 . 1 1 91 91 PHE N N 15 120.115 0.027 . 1 . . . A 91 PHE N . 17635 1 1076 . 1 1 92 92 ALA H H 1 8.563 0.003 . 1 . . . A 92 ALA H . 17635 1 1077 . 1 1 92 92 ALA HA H 1 4.356 0.006 . 1 . . . A 92 ALA HA . 17635 1 1078 . 1 1 92 92 ALA HB1 H 1 1.265 0.010 . 1 . . . . 92 ALA HB1 . 17635 1 1079 . 1 1 92 92 ALA HB2 H 1 1.265 0.010 . 1 . . . A 92 ALA HB2 . 17635 1 1080 . 1 1 92 92 ALA HB3 H 1 1.265 0.010 . 1 . . . A 92 ALA HB3 . 17635 1 1081 . 1 1 92 92 ALA C C 13 172.984 0.000 . 1 . . . A 92 ALA C . 17635 1 1082 . 1 1 92 92 ALA CA C 13 52.098 0.037 . 1 . . . A 92 ALA CA . 17635 1 1083 . 1 1 92 92 ALA CB C 13 19.406 0.016 . 1 . . . A 92 ALA CB . 17635 1 1084 . 1 1 92 92 ALA N N 15 124.386 0.024 . 1 . . . A 92 ALA N . 17635 1 1085 . 1 1 93 93 THR H H 1 8.312 0.011 . 1 . . . A 93 THR H . 17635 1 1086 . 1 1 93 93 THR HA H 1 4.208 0.003 . 1 . . . A 93 THR HA . 17635 1 1087 . 1 1 93 93 THR HB H 1 4.070 0.008 . 1 . . . A 93 THR HB . 17635 1 1088 . 1 1 93 93 THR HG21 H 1 1.151 0.005 . 1 . . . A 93 THR HG21 . 17635 1 1089 . 1 1 93 93 THR HG22 H 1 1.151 0.005 . 1 . . . A 93 THR HG22 . 17635 1 1090 . 1 1 93 93 THR HG23 H 1 1.151 0.005 . 1 . . . A 93 THR HG23 . 17635 1 1091 . 1 1 93 93 THR C C 13 176.032 0.000 . 1 . . . A 93 THR C . 17635 1 1092 . 1 1 93 93 THR CA C 13 62.255 0.049 . 1 . . . A 93 THR CA . 17635 1 1093 . 1 1 93 93 THR CB C 13 69.708 0.042 . 1 . . . A 93 THR CB . 17635 1 1094 . 1 1 93 93 THR CG2 C 13 21.582 0.074 . 1 . . . A 93 THR CG2 . 17635 1 1095 . 1 1 93 93 THR N N 15 116.073 0.120 . 1 . . . A 93 THR N . 17635 1 1096 . 1 1 94 94 ARG H H 1 8.493 0.007 . 1 . . . A 94 ARG H . 17635 1 1097 . 1 1 94 94 ARG HA H 1 4.337 0.010 . 1 . . . A 94 ARG HA . 17635 1 1098 . 1 1 94 94 ARG HB2 H 1 1.807 0.007 . 2 . . . A 94 ARG HB2 . 17635 1 1099 . 1 1 94 94 ARG HB3 H 1 1.695 0.007 . 2 . . . A 94 ARG HB3 . 17635 1 1100 . 1 1 94 94 ARG HG2 H 1 1.631 0.000 . 2 . . . A 94 ARG HG2 . 17635 1 1101 . 1 1 94 94 ARG HD2 H 1 3.090 0.009 . 2 . . . A 94 ARG HD2 . 17635 1 1102 . 1 1 94 94 ARG C C 13 174.426 0.000 . 1 . . . A 94 ARG C . 17635 1 1103 . 1 1 94 94 ARG CA C 13 56.055 0.019 . 1 . . . A 94 ARG CA . 17635 1 1104 . 1 1 94 94 ARG CB C 13 30.911 0.039 . 1 . . . A 94 ARG CB . 17635 1 1105 . 1 1 94 94 ARG CG C 13 27.128 0.000 . 1 . . . A 94 ARG CG . 17635 1 1106 . 1 1 94 94 ARG CD C 13 43.357 0.034 . 1 . . . A 94 ARG CD . 17635 1 1107 . 1 1 94 94 ARG N N 15 124.359 0.036 . 1 . . . A 94 ARG N . 17635 1 1108 . 1 1 95 95 ARG H H 1 8.343 0.005 . 1 . . . A 95 ARG H . 17635 1 1109 . 1 1 95 95 ARG HA H 1 4.228 0.006 . 1 . . . A 95 ARG HA . 17635 1 1110 . 1 1 95 95 ARG HB2 H 1 1.806 0.004 . 2 . . . A 95 ARG HB2 . 17635 1 1111 . 1 1 95 95 ARG HB3 H 1 1.683 0.005 . 2 . . . A 95 ARG HB3 . 17635 1 1112 . 1 1 95 95 ARG HG2 H 1 1.571 0.005 . 2 . . . A 95 ARG HG2 . 17635 1 1113 . 1 1 95 95 ARG HD2 H 1 3.089 0.005 . 2 . . . A 95 ARG HD2 . 17635 1 1114 . 1 1 95 95 ARG C C 13 174.306 0.000 . 1 . . . A 95 ARG C . 17635 1 1115 . 1 1 95 95 ARG CA C 13 56.142 0.047 . 1 . . . A 95 ARG CA . 17635 1 1116 . 1 1 95 95 ARG CB C 13 30.966 0.017 . 1 . . . A 95 ARG CB . 17635 1 1117 . 1 1 95 95 ARG CG C 13 27.074 0.032 . 1 . . . A 95 ARG CG . 17635 1 1118 . 1 1 95 95 ARG CD C 13 43.358 0.000 . 1 . . . A 95 ARG CD . 17635 1 1119 . 1 1 95 95 ARG N N 15 122.515 0.063 . 1 . . . A 95 ARG N . 17635 1 1120 . 1 1 96 96 ALA H H 1 8.402 0.007 . 1 . . . A 96 ALA H . 17635 1 1121 . 1 1 96 96 ALA HA H 1 4.209 0.004 . 1 . . . A 96 ALA HA . 17635 1 1122 . 1 1 96 96 ALA HB1 H 1 1.283 0.003 . 1 . . . . 96 ALA HB1 . 17635 1 1123 . 1 1 96 96 ALA HB2 H 1 1.283 0.003 . 1 . . . A 96 ALA HB2 . 17635 1 1124 . 1 1 96 96 ALA HB3 H 1 1.283 0.003 . 1 . . . A 96 ALA HB3 . 17635 1 1125 . 1 1 96 96 ALA C C 13 173.226 0.000 . 1 . . . A 96 ALA C . 17635 1 1126 . 1 1 96 96 ALA CA C 13 52.770 0.057 . 1 . . . A 96 ALA CA . 17635 1 1127 . 1 1 96 96 ALA CB C 13 19.193 0.032 . 1 . . . A 96 ALA CB . 17635 1 1128 . 1 1 96 96 ALA N N 15 125.127 0.017 . 1 . . . A 96 ALA N . 17635 1 1129 . 1 1 97 97 ASP H H 1 8.206 0.006 . 1 . . . A 97 ASP H . 17635 1 1130 . 1 1 97 97 ASP HA H 1 4.498 0.008 . 1 . . . A 97 ASP HA . 17635 1 1131 . 1 1 97 97 ASP HB2 H 1 2.586 0.006 . 2 . . . A 97 ASP HB3 . 17635 1 1132 . 1 1 97 97 ASP C C 13 174.302 0.000 . 1 . . . A 97 ASP C . 17635 1 1133 . 1 1 97 97 ASP CA C 13 54.091 0.014 . 1 . . . A 97 ASP CA . 17635 1 1134 . 1 1 97 97 ASP CB C 13 40.907 0.027 . 1 . . . A 97 ASP CB . 17635 1 1135 . 1 1 97 97 ASP N N 15 118.483 0.051 . 1 . . . A 97 ASP N . 17635 1 1136 . 1 1 98 98 PHE H H 1 7.990 0.004 . 1 . . . A 98 PHE H . 17635 1 1137 . 1 1 98 98 PHE HA H 1 4.490 0.003 . 1 . . . A 98 PHE HA . 17635 1 1138 . 1 1 98 98 PHE HB2 H 1 3.091 0.003 . 2 . . . A 98 PHE HB2 . 17635 1 1139 . 1 1 98 98 PHE HB3 H 1 3.022 0.009 . 2 . . . A 98 PHE HB3 . 17635 1 1140 . 1 1 98 98 PHE HD1 H 1 7.178 0.005 . 3 . . . A 98 PHE HD2 . 17635 1 1141 . 1 1 98 98 PHE C C 13 174.878 0.000 . 1 . . . A 98 PHE C . 17635 1 1142 . 1 1 98 98 PHE CA C 13 58.160 0.001 . 1 . . . A 98 PHE CA . 17635 1 1143 . 1 1 98 98 PHE CB C 13 39.303 0.035 . 1 . . . A 98 PHE CB . 17635 1 1144 . 1 1 98 98 PHE N N 15 120.321 0.019 . 1 . . . A 98 PHE N . 17635 1 1145 . 1 1 99 99 ASN H H 1 8.336 0.004 . 1 . . . A 99 ASN H . 17635 1 1146 . 1 1 99 99 ASN HA H 1 4.609 0.006 . 1 . . . A 99 ASN HA . 17635 1 1147 . 1 1 99 99 ASN HB2 H 1 2.775 0.004 . 2 . . . A 99 ASN HB2 . 17635 1 1148 . 1 1 99 99 ASN HB3 H 1 2.635 0.006 . 2 . . . A 99 ASN HB3 . 17635 1 1149 . 1 1 99 99 ASN HD21 H 1 7.586 0.008 . 2 . . . A 99 ASN HD21 . 17635 1 1150 . 1 1 99 99 ASN HD22 H 1 6.894 0.003 . 2 . . . A 99 ASN HD22 . 17635 1 1151 . 1 1 99 99 ASN C C 13 175.348 0.000 . 1 . . . A 99 ASN C . 17635 1 1152 . 1 1 99 99 ASN CA C 13 53.313 0.029 . 1 . . . A 99 ASN CA . 17635 1 1153 . 1 1 99 99 ASN CB C 13 38.727 0.040 . 1 . . . A 99 ASN CB . 17635 1 1154 . 1 1 99 99 ASN CG C 13 173.452 0.014 . 1 . . . A 99 ASN CG . 17635 1 1155 . 1 1 99 99 ASN N N 15 120.016 0.023 . 1 . . . A 99 ASN N . 17635 1 1156 . 1 1 99 99 ASN ND2 N 15 112.559 0.269 . 1 . . . A 99 ASN ND2 . 17635 1 1157 . 1 1 100 100 ARG H H 1 8.181 0.005 . 1 . . . A 100 ARG H . 17635 1 1158 . 1 1 100 100 ARG HA H 1 4.273 0.006 . 1 . . . A 100 ARG HA . 17635 1 1159 . 1 1 100 100 ARG HB2 H 1 1.883 0.005 . 2 . . . A 100 ARG HB2 . 17635 1 1160 . 1 1 100 100 ARG HB3 H 1 1.751 0.010 . 2 . . . A 100 ARG HB3 . 17635 1 1161 . 1 1 100 100 ARG HG2 H 1 1.697 0.000 . 2 . . . A 100 ARG HG2 . 17635 1 1162 . 1 1 100 100 ARG HD2 H 1 3.163 0.000 . 2 . . . A 100 ARG HD2 . 17635 1 1163 . 1 1 100 100 ARG C C 13 173.627 0.000 . 1 . . . A 100 ARG C . 17635 1 1164 . 1 1 100 100 ARG CA C 13 56.492 0.085 . 1 . . . A 100 ARG CA . 17635 1 1165 . 1 1 100 100 ARG CB C 13 30.519 0.035 . 1 . . . A 100 ARG CB . 17635 1 1166 . 1 1 100 100 ARG CG C 13 27.253 0.000 . 1 . . . A 100 ARG CG . 17635 1 1167 . 1 1 100 100 ARG N N 15 121.374 0.026 . 1 . . . A 100 ARG N . 17635 1 1168 . 1 1 101 101 GLY H H 1 8.413 0.004 . 1 . . . A 101 GLY H . 17635 1 1169 . 1 1 101 101 GLY HA2 H 1 3.959 0.002 . 2 . . . A 101 GLY HA3 . 17635 1 1170 . 1 1 101 101 GLY C C 13 175.739 0.050 . 1 . . . A 101 GLY C . 17635 1 1171 . 1 1 101 101 GLY CA C 13 45.380 0.000 . 1 . . . A 101 GLY CA . 17635 1 1172 . 1 1 101 101 GLY N N 15 109.586 0.027 . 1 . . . A 101 GLY N . 17635 1 1173 . 1 1 102 102 GLY H H 1 8.281 0.005 . 1 . . . A 102 GLY H . 17635 1 1174 . 1 1 102 102 GLY HA2 H 1 3.958 0.003 . 2 . . . A 102 GLY HA3 . 17635 1 1175 . 1 1 102 102 GLY C C 13 176.286 0.000 . 1 . . . A 102 GLY C . 17635 1 1176 . 1 1 102 102 GLY CA C 13 45.338 0.000 . 1 . . . A 102 GLY CA . 17635 1 1177 . 1 1 102 102 GLY N N 15 108.692 0.049 . 1 . . . A 102 GLY N . 17635 1 1178 . 1 1 103 103 GLY H H 1 8.364 0.002 . 1 . . . A 103 GLY H . 17635 1 1179 . 1 1 103 103 GLY HA2 H 1 3.952 0.000 . 2 . . . A 103 GLY HA3 . 17635 1 1180 . 1 1 103 103 GLY C C 13 175.798 0.000 . 1 . . . A 103 GLY C . 17635 1 1181 . 1 1 103 103 GLY CA C 13 45.346 0.000 . 1 . . . A 103 GLY CA . 17635 1 1182 . 1 1 103 103 GLY N N 15 108.844 0.042 . 1 . . . A 103 GLY N . 17635 1 1183 . 1 1 104 104 ASN H H 1 8.438 0.003 . 1 . . . A 104 ASN H . 17635 1 1184 . 1 1 104 104 ASN HA H 1 4.718 0.001 . 1 . . . A 104 ASN HA . 17635 1 1185 . 1 1 104 104 ASN HB2 H 1 2.798 0.005 . 2 . . . A 104 ASN HB3 . 17635 1 1186 . 1 1 104 104 ASN HD21 H 1 7.599 0.003 . 2 . . . A 104 ASN HD21 . 17635 1 1187 . 1 1 104 104 ASN HD22 H 1 6.940 0.003 . 2 . . . A 104 ASN HD22 . 17635 1 1188 . 1 1 104 104 ASN C C 13 174.547 0.000 . 1 . . . A 104 ASN C . 17635 1 1189 . 1 1 104 104 ASN CA C 13 53.209 0.045 . 1 . . . A 104 ASN CA . 17635 1 1190 . 1 1 104 104 ASN CB C 13 38.879 0.043 . 1 . . . A 104 ASN CB . 17635 1 1191 . 1 1 104 104 ASN CG C 13 173.294 0.008 . 1 . . . A 104 ASN CG . 17635 1 1192 . 1 1 104 104 ASN N N 15 118.527 0.071 . 1 . . . A 104 ASN N . 17635 1 1193 . 1 1 104 104 ASN ND2 N 15 112.397 0.279 . 1 . . . A 104 ASN ND2 . 17635 1 1194 . 1 1 105 105 GLY H H 1 8.477 0.004 . 1 . . . A 105 GLY H . 17635 1 1195 . 1 1 105 105 GLY HA2 H 1 3.951 0.002 . 2 . . . A 105 GLY HA3 . 17635 1 1196 . 1 1 105 105 GLY C C 13 176.074 0.003 . 1 . . . A 105 GLY C . 17635 1 1197 . 1 1 105 105 GLY CA C 13 45.602 0.000 . 1 . . . A 105 GLY CA . 17635 1 1198 . 1 1 105 105 GLY N N 15 109.166 0.031 . 1 . . . A 105 GLY N . 17635 1 1199 . 1 1 106 106 ARG H H 1 8.244 0.004 . 1 . . . A 106 ARG H . 17635 1 1200 . 1 1 106 106 ARG HA H 1 4.351 0.008 . 1 . . . A 106 ARG HA . 17635 1 1201 . 1 1 106 106 ARG HB2 H 1 1.893 0.003 . 2 . . . A 106 ARG HB2 . 17635 1 1202 . 1 1 106 106 ARG HB3 H 1 1.736 0.006 . 2 . . . A 106 ARG HB3 . 17635 1 1203 . 1 1 106 106 ARG HG2 H 1 1.597 0.004 . 2 . . . A 106 ARG HG2 . 17635 1 1204 . 1 1 106 106 ARG HD2 H 1 3.163 0.000 . 2 . . . A 106 ARG HD2 . 17635 1 1205 . 1 1 106 106 ARG C C 13 173.491 0.000 . 1 . . . A 106 ARG C . 17635 1 1206 . 1 1 106 106 ARG CA C 13 56.227 0.022 . 1 . . . A 106 ARG CA . 17635 1 1207 . 1 1 106 106 ARG CB C 13 30.629 0.061 . 1 . . . A 106 ARG CB . 17635 1 1208 . 1 1 106 106 ARG CG C 13 27.108 0.046 . 1 . . . A 106 ARG CG . 17635 1 1209 . 1 1 106 106 ARG CD C 13 43.281 0.000 . 1 . . . A 106 ARG CD . 17635 1 1210 . 1 1 106 106 ARG N N 15 120.341 0.039 . 1 . . . A 106 ARG N . 17635 1 1211 . 1 1 107 107 GLY H H 1 8.522 0.004 . 1 . . . A 107 GLY H . 17635 1 1212 . 1 1 107 107 GLY HA2 H 1 3.955 0.004 . 2 . . . A 107 GLY HA3 . 17635 1 1213 . 1 1 107 107 GLY C C 13 175.834 0.002 . 1 . . . A 107 GLY C . 17635 1 1214 . 1 1 107 107 GLY CA C 13 45.441 0.000 . 1 . . . A 107 GLY CA . 17635 1 1215 . 1 1 107 107 GLY N N 15 109.856 0.041 . 1 . . . A 107 GLY N . 17635 1 1216 . 1 1 108 108 GLY H H 1 8.331 0.004 . 1 . . . A 108 GLY H . 17635 1 1217 . 1 1 108 108 GLY HA2 H 1 3.963 0.002 . 2 . . . A 108 GLY HA3 . 17635 1 1218 . 1 1 108 108 GLY C C 13 176.199 0.000 . 1 . . . A 108 GLY C . 17635 1 1219 . 1 1 108 108 GLY CA C 13 45.344 0.000 . 1 . . . A 108 GLY CA . 17635 1 1220 . 1 1 108 108 GLY N N 15 108.889 0.024 . 1 . . . A 108 GLY N . 17635 1 stop_ save_