data_17880 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17880 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for a yeast protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-23 _Entry.Accession_date 2011-08-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tao Wang . . . 17880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 17880 '15N chemical shifts' 110 17880 '1H chemical shifts' 485 17880 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-04-23 2011-08-23 update BMRB 'update entry citation' 17880 1 . . 2012-04-23 2011-08-23 original author 'original release' 17880 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LI6 'BMRB Entry Tracking System' 17880 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17880 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22488857 _Citation.Full_citation . _Citation.Title 'Solution structure of SWI1 AT-rich interaction domain from Saccharomyces cerevisiae and its nonspecific binding to DNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 80 _Citation.Journal_issue 7 _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 1911 _Citation.Page_last 1917 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tao Wang . . . 17880 1 2 Jiahai Zhang . . . 17880 1 3 Xuecheng Zhang . . . 17880 1 4 Xiaoming Tu . . . 17880 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17880 _Assembly.ID 1 _Assembly.Name 'yeast protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 yeast_protein 1 $yeast_protein A . yes native no no . . . 17880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yeast_protein _Entity.Sf_category entity _Entity.Sf_framecode yeast_protein _Entity.Entry_ID 17880 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name yeast_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQSLNPALQEKISTELNNKQ YELFMKSLIENCKKRNMPLQ SIPEIGNRKINLFYLYMLVQ KFGGADQVTRTQQWSMVAQR LQISDYQQLESIYFRILLPY ERHMISQEGIKETQAKRLEH HHHHH ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1KKX . "Solution Structure Of The Dna-Binding Domain Of Adr6" . . . . . 81.60 123 99.02 100.00 6.12e-67 . . . . 17880 1 2 no PDB 1KN5 . "Solution Structure Of Arid Domain Of Adr6 From Saccharomyces Cerevisiae" . . . . . 81.60 123 99.02 100.00 6.12e-67 . . . . 17880 1 3 no PDB 2LI6 . "1h, 13c, And 15n Chemical Shift Assignments For Yeast Protein" . . . . . 92.80 116 100.00 100.00 2.42e-78 . . . . 17880 1 4 no DBJ GAA26956 . "K7_Swi1bp, partial [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 94.40 1140 98.31 100.00 1.33e-72 . . . . 17880 1 5 no EMBL CAA31013 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 94.40 1314 98.31 100.00 7.27e-73 . . . . 17880 1 6 no EMBL CAY86943 . "Swi1p [Saccharomyces cerevisiae EC1118]" . . . . . 94.40 1228 98.31 100.00 1.74e-72 . . . . 17880 1 7 no GB AAB68089 . "Swi1p: contains zinc-finger, global transcription activator, involved in the regulation of expression of many genes, includes A" . . . . . 94.40 1314 98.31 100.00 7.27e-73 . . . . 17880 1 8 no GB AHY78155 . "Swi1p [Saccharomyces cerevisiae YJM993]" . . . . . 94.40 1319 97.46 100.00 2.37e-72 . . . . 17880 1 9 no GB AJP42124 . "Swi1p [Saccharomyces cerevisiae YJM1078]" . . . . . 94.40 1319 98.31 100.00 8.21e-73 . . . . 17880 1 10 no GB AJV91214 . "Swi1p [Saccharomyces cerevisiae YJM1460]" . . . . . 94.40 1336 98.31 100.00 8.38e-73 . . . . 17880 1 11 no GB AJV91652 . "Swi1p [Saccharomyces cerevisiae YJM1463]" . . . . . 94.40 1322 98.31 100.00 7.68e-73 . . . . 17880 1 12 no REF NP_015309 . "Swi1p [Saccharomyces cerevisiae S288c]" . . . . . 94.40 1314 98.31 100.00 7.27e-73 . . . . 17880 1 13 no SP P09547 . "RecName: Full=SWI/SNF chromatin-remodeling complex subunit SWI1; AltName: Full=Regulatory protein GAM3; AltName: Full=SWI/SNF c" . . . . . 94.40 1314 98.31 100.00 7.27e-73 . . . . 17880 1 14 no TPG DAA11412 . "TPA: Swi1p [Saccharomyces cerevisiae S288c]" . . . . . 94.40 1314 98.31 100.00 7.27e-73 . . . . 17880 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 0 MET . 17880 1 2 1 GLN . 17880 1 3 2 SER . 17880 1 4 3 LEU . 17880 1 5 4 ASN . 17880 1 6 5 PRO . 17880 1 7 6 ALA . 17880 1 8 7 LEU . 17880 1 9 8 GLN . 17880 1 10 9 GLU . 17880 1 11 10 LYS . 17880 1 12 11 ILE . 17880 1 13 12 SER . 17880 1 14 13 THR . 17880 1 15 14 GLU . 17880 1 16 15 LEU . 17880 1 17 16 ASN . 17880 1 18 17 ASN . 17880 1 19 18 LYS . 17880 1 20 19 GLN . 17880 1 21 20 TYR . 17880 1 22 21 GLU . 17880 1 23 22 LEU . 17880 1 24 23 PHE . 17880 1 25 24 MET . 17880 1 26 25 LYS . 17880 1 27 26 SER . 17880 1 28 27 LEU . 17880 1 29 28 ILE . 17880 1 30 29 GLU . 17880 1 31 30 ASN . 17880 1 32 31 CYS . 17880 1 33 32 LYS . 17880 1 34 33 LYS . 17880 1 35 34 ARG . 17880 1 36 35 ASN . 17880 1 37 36 MET . 17880 1 38 37 PRO . 17880 1 39 38 LEU . 17880 1 40 39 GLN . 17880 1 41 40 SER . 17880 1 42 41 ILE . 17880 1 43 42 PRO . 17880 1 44 43 GLU . 17880 1 45 44 ILE . 17880 1 46 45 GLY . 17880 1 47 46 ASN . 17880 1 48 47 ARG . 17880 1 49 48 LYS . 17880 1 50 49 ILE . 17880 1 51 50 ASN . 17880 1 52 51 LEU . 17880 1 53 52 PHE . 17880 1 54 53 TYR . 17880 1 55 54 LEU . 17880 1 56 55 TYR . 17880 1 57 56 MET . 17880 1 58 57 LEU . 17880 1 59 58 VAL . 17880 1 60 59 GLN . 17880 1 61 60 LYS . 17880 1 62 61 PHE . 17880 1 63 62 GLY . 17880 1 64 63 GLY . 17880 1 65 64 ALA . 17880 1 66 65 ASP . 17880 1 67 66 GLN . 17880 1 68 67 VAL . 17880 1 69 68 THR . 17880 1 70 69 ARG . 17880 1 71 70 THR . 17880 1 72 71 GLN . 17880 1 73 72 GLN . 17880 1 74 73 TRP . 17880 1 75 74 SER . 17880 1 76 75 MET . 17880 1 77 76 VAL . 17880 1 78 77 ALA . 17880 1 79 78 GLN . 17880 1 80 79 ARG . 17880 1 81 80 LEU . 17880 1 82 81 GLN . 17880 1 83 82 ILE . 17880 1 84 83 SER . 17880 1 85 84 ASP . 17880 1 86 85 TYR . 17880 1 87 86 GLN . 17880 1 88 87 GLN . 17880 1 89 88 LEU . 17880 1 90 89 GLU . 17880 1 91 90 SER . 17880 1 92 91 ILE . 17880 1 93 92 TYR . 17880 1 94 93 PHE . 17880 1 95 94 ARG . 17880 1 96 95 ILE . 17880 1 97 96 LEU . 17880 1 98 97 LEU . 17880 1 99 98 PRO . 17880 1 100 99 TYR . 17880 1 101 100 GLU . 17880 1 102 101 ARG . 17880 1 103 102 HIS . 17880 1 104 103 MET . 17880 1 105 104 ILE . 17880 1 106 105 SER . 17880 1 107 106 GLN . 17880 1 108 107 GLU . 17880 1 109 108 GLY . 17880 1 110 109 ILE . 17880 1 111 110 LYS . 17880 1 112 111 GLU . 17880 1 113 112 THR . 17880 1 114 113 GLN . 17880 1 115 114 ALA . 17880 1 116 115 LYS . 17880 1 117 116 ARG . 17880 1 118 117 LEU . 17880 1 119 118 GLU . 17880 1 120 119 HIS . 17880 1 121 120 HIS . 17880 1 122 121 HIS . 17880 1 123 122 HIS . 17880 1 124 123 HIS . 17880 1 125 124 HIS . 17880 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17880 1 . GLN 2 2 17880 1 . SER 3 3 17880 1 . LEU 4 4 17880 1 . ASN 5 5 17880 1 . PRO 6 6 17880 1 . ALA 7 7 17880 1 . LEU 8 8 17880 1 . GLN 9 9 17880 1 . GLU 10 10 17880 1 . LYS 11 11 17880 1 . ILE 12 12 17880 1 . SER 13 13 17880 1 . THR 14 14 17880 1 . GLU 15 15 17880 1 . LEU 16 16 17880 1 . ASN 17 17 17880 1 . ASN 18 18 17880 1 . LYS 19 19 17880 1 . GLN 20 20 17880 1 . TYR 21 21 17880 1 . GLU 22 22 17880 1 . LEU 23 23 17880 1 . PHE 24 24 17880 1 . MET 25 25 17880 1 . LYS 26 26 17880 1 . SER 27 27 17880 1 . LEU 28 28 17880 1 . ILE 29 29 17880 1 . GLU 30 30 17880 1 . ASN 31 31 17880 1 . CYS 32 32 17880 1 . LYS 33 33 17880 1 . LYS 34 34 17880 1 . ARG 35 35 17880 1 . ASN 36 36 17880 1 . MET 37 37 17880 1 . PRO 38 38 17880 1 . LEU 39 39 17880 1 . GLN 40 40 17880 1 . SER 41 41 17880 1 . ILE 42 42 17880 1 . PRO 43 43 17880 1 . GLU 44 44 17880 1 . ILE 45 45 17880 1 . GLY 46 46 17880 1 . ASN 47 47 17880 1 . ARG 48 48 17880 1 . LYS 49 49 17880 1 . ILE 50 50 17880 1 . ASN 51 51 17880 1 . LEU 52 52 17880 1 . PHE 53 53 17880 1 . TYR 54 54 17880 1 . LEU 55 55 17880 1 . TYR 56 56 17880 1 . MET 57 57 17880 1 . LEU 58 58 17880 1 . VAL 59 59 17880 1 . GLN 60 60 17880 1 . LYS 61 61 17880 1 . PHE 62 62 17880 1 . GLY 63 63 17880 1 . GLY 64 64 17880 1 . ALA 65 65 17880 1 . ASP 66 66 17880 1 . GLN 67 67 17880 1 . VAL 68 68 17880 1 . THR 69 69 17880 1 . ARG 70 70 17880 1 . THR 71 71 17880 1 . GLN 72 72 17880 1 . GLN 73 73 17880 1 . TRP 74 74 17880 1 . SER 75 75 17880 1 . MET 76 76 17880 1 . VAL 77 77 17880 1 . ALA 78 78 17880 1 . GLN 79 79 17880 1 . ARG 80 80 17880 1 . LEU 81 81 17880 1 . GLN 82 82 17880 1 . ILE 83 83 17880 1 . SER 84 84 17880 1 . ASP 85 85 17880 1 . TYR 86 86 17880 1 . GLN 87 87 17880 1 . GLN 88 88 17880 1 . LEU 89 89 17880 1 . GLU 90 90 17880 1 . SER 91 91 17880 1 . ILE 92 92 17880 1 . TYR 93 93 17880 1 . PHE 94 94 17880 1 . ARG 95 95 17880 1 . ILE 96 96 17880 1 . LEU 97 97 17880 1 . LEU 98 98 17880 1 . PRO 99 99 17880 1 . TYR 100 100 17880 1 . GLU 101 101 17880 1 . ARG 102 102 17880 1 . HIS 103 103 17880 1 . MET 104 104 17880 1 . ILE 105 105 17880 1 . SER 106 106 17880 1 . GLN 107 107 17880 1 . GLU 108 108 17880 1 . GLY 109 109 17880 1 . ILE 110 110 17880 1 . LYS 111 111 17880 1 . GLU 112 112 17880 1 . THR 113 113 17880 1 . GLN 114 114 17880 1 . ALA 115 115 17880 1 . LYS 116 116 17880 1 . ARG 117 117 17880 1 . LEU 118 118 17880 1 . GLU 119 119 17880 1 . HIS 120 120 17880 1 . HIS 121 121 17880 1 . HIS 122 122 17880 1 . HIS 123 123 17880 1 . HIS 124 124 17880 1 . HIS 125 125 17880 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 17880 _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 $yeast_protein . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17880 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 17880 _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 $yeast_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 22b' . . . . . . 17880 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17880 _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 'yeast protein' '[U-100% 13C; U-100% 15N]' . . 1 $yeast_protein . . 0.5 . . mM . . . . 17880 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17880 1 3 'sodium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 17880 1 4 EDTA 'natural abundance' . . . . . . 1.5 . . mM . . . . 17880 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17880 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17880 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 17880 _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' 0.1 . M 17880 1 pH 6.5 . pH 17880 1 pressure 1 . atm 17880 1 temperature 293 . K 17880 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17880 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17880 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17880 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 17880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17880 _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 DMX . 500 . . . 17880 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 17880 _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 . . . . . . . . . . . . . . . . 17880 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17880 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17880 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17880 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17880 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17880 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17880 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17880 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17880 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 17880 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17880 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17880 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17880 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 17880 _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' . . . 17880 1 2 '3D CBCA(CO)NH' . . . 17880 1 3 '3D C(CO)NH' . . . 17880 1 4 '3D HNCACB' . . . 17880 1 5 '3D HBHA(CO)NH' . . . 17880 1 6 '3D H(CCO)NH' . . . 17880 1 7 '2D 1H-13C HSQC' . . . 17880 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 2 2 GLN HA H 1 4.369 . . 1 . . . . 1 GLN HA . 17880 1 2 . 1 1 2 2 GLN HB2 H 1 2.508 . . 2 . . . . 1 GLN HB2 . 17880 1 3 . 1 1 2 2 GLN HB3 H 1 1.993 . . 2 . . . . 1 GLN HB3 . 17880 1 4 . 1 1 2 2 GLN HG2 H 1 2.332 . . 2 . . . . 1 GLN HG2 . 17880 1 5 . 1 1 2 2 GLN CA C 13 55.823 . . 1 . . . . 1 GLN CA . 17880 1 6 . 1 1 2 2 GLN CB C 13 29.527 . . 1 . . . . 1 GLN CB . 17880 1 7 . 1 1 2 2 GLN CG C 13 33.843 . . 1 . . . . 1 GLN CG . 17880 1 8 . 1 1 3 3 SER H H 1 8.536 . . 1 . . . . 2 SER H . 17880 1 9 . 1 1 3 3 SER HA H 1 4.366 . . 1 . . . . 2 SER HA . 17880 1 10 . 1 1 3 3 SER HB2 H 1 3.786 . . 2 . . . . 2 SER HB2 . 17880 1 11 . 1 1 3 3 SER CA C 13 58.097 . . 1 . . . . 2 SER CA . 17880 1 12 . 1 1 3 3 SER CB C 13 64.063 . . 1 . . . . 2 SER CB . 17880 1 13 . 1 1 3 3 SER N N 15 118.356 . . 1 . . . . 2 SER N . 17880 1 14 . 1 1 4 4 LEU H H 1 8.396 . . 1 . . . . 3 LEU H . 17880 1 15 . 1 1 4 4 LEU HA H 1 4.291 . . 1 . . . . 3 LEU HA . 17880 1 16 . 1 1 4 4 LEU HB2 H 1 1.530 . . 2 . . . . 3 LEU HB2 . 17880 1 17 . 1 1 4 4 LEU HD11 H 1 0.798 . . 2 . . . . 3 LEU HD11 . 17880 1 18 . 1 1 4 4 LEU HD12 H 1 0.798 . . 2 . . . . 3 LEU HD11 . 17880 1 19 . 1 1 4 4 LEU HD13 H 1 0.798 . . 2 . . . . 3 LEU HD11 . 17880 1 20 . 1 1 4 4 LEU CA C 13 55.135 . . 1 . . . . 3 LEU CA . 17880 1 21 . 1 1 4 4 LEU CB C 13 42.339 . . 1 . . . . 3 LEU CB . 17880 1 22 . 1 1 4 4 LEU CG C 13 27.420 . . 1 . . . . 3 LEU CG . 17880 1 23 . 1 1 4 4 LEU CD1 C 13 24.814 . . 2 . . . . 3 LEU CD . 17880 1 24 . 1 1 4 4 LEU CD2 C 13 24.814 . . 2 . . . . 3 LEU CD . 17880 1 25 . 1 1 4 4 LEU N N 15 124.047 . . 1 . . . . 3 LEU N . 17880 1 26 . 1 1 5 5 ASN H H 1 8.444 . . 1 . . . . 4 ASN H . 17880 1 27 . 1 1 5 5 ASN HB2 H 1 2.794 . . 2 . . . . 4 ASN HB2 . 17880 1 28 . 1 1 5 5 ASN HB3 H 1 2.692 . . 2 . . . . 4 ASN HB3 . 17880 1 29 . 1 1 5 5 ASN CA C 13 51.059 . . 1 . . . . 4 ASN CA . 17880 1 30 . 1 1 5 5 ASN CB C 13 38.724 . . 1 . . . . 4 ASN CB . 17880 1 31 . 1 1 5 5 ASN N N 15 120.587 . . 1 . . . . 4 ASN N . 17880 1 32 . 1 1 6 6 PRO HA H 1 4.285 . . 1 . . . . 5 PRO HA . 17880 1 33 . 1 1 6 6 PRO HB2 H 1 2.252 . . 2 . . . . 5 PRO HB2 . 17880 1 34 . 1 1 6 6 PRO HB3 H 1 1.918 . . 2 . . . . 5 PRO HB3 . 17880 1 35 . 1 1 6 6 PRO HG2 H 1 2.949 . . 2 . . . . 5 PRO HG2 . 17880 1 36 . 1 1 6 6 PRO HD2 H 1 3.760 . . 2 . . . . 5 PRO HD2 . 17880 1 37 . 1 1 6 6 PRO CA C 13 63.884 . . 1 . . . . 5 PRO CA . 17880 1 38 . 1 1 6 6 PRO CB C 13 32.109 . . 1 . . . . 5 PRO CB . 17880 1 39 . 1 1 6 6 PRO CG C 13 27.642 . . 1 . . . . 5 PRO CG . 17880 1 40 . 1 1 6 6 PRO CD C 13 50.720 . . 1 . . . . 5 PRO CD . 17880 1 41 . 1 1 7 7 ALA H H 1 8.168 . . 1 . . . . 6 ALA H . 17880 1 42 . 1 1 7 7 ALA HA H 1 4.199 . . 1 . . . . 6 ALA HA . 17880 1 43 . 1 1 7 7 ALA HB1 H 1 1.317 . . 1 . . . . 6 ALA HB1 . 17880 1 44 . 1 1 7 7 ALA HB2 H 1 1.317 . . 1 . . . . 6 ALA HB1 . 17880 1 45 . 1 1 7 7 ALA HB3 H 1 1.317 . . 1 . . . . 6 ALA HB1 . 17880 1 46 . 1 1 7 7 ALA CA C 13 52.925 . . 1 . . . . 6 ALA CA . 17880 1 47 . 1 1 7 7 ALA CB C 13 18.707 . . 1 . . . . 6 ALA CB . 17880 1 48 . 1 1 7 7 ALA N N 15 121.593 . . 1 . . . . 6 ALA N . 17880 1 49 . 1 1 8 8 LEU H H 1 7.847 . . 1 . . . . 7 LEU H . 17880 1 50 . 1 1 8 8 LEU HA H 1 4.243 . . 1 . . . . 7 LEU HA . 17880 1 51 . 1 1 8 8 LEU HB2 H 1 1.562 . . 2 . . . . 7 LEU HB2 . 17880 1 52 . 1 1 8 8 LEU HB3 H 1 0.822 . . 2 . . . . 7 LEU HB3 . 17880 1 53 . 1 1 8 8 LEU CA C 13 55.326 . . 1 . . . . 7 LEU CA . 17880 1 54 . 1 1 8 8 LEU CB C 13 42.153 . . 1 . . . . 7 LEU CB . 17880 1 55 . 1 1 8 8 LEU CG C 13 27.419 . . 1 . . . . 7 LEU CG . 17880 1 56 . 1 1 8 8 LEU CD1 C 13 24.863 . . 2 . . . . 7 LEU CD1 . 17880 1 57 . 1 1 8 8 LEU N N 15 119.553 . . 1 . . . . 7 LEU N . 17880 1 58 . 1 1 9 9 GLN H H 1 8.173 . . 1 . . . . 8 GLN H . 17880 1 59 . 1 1 9 9 GLN HA H 1 4.124 . . 1 . . . . 8 GLN HA . 17880 1 60 . 1 1 9 9 GLN HB2 H 1 2.139 . . 2 . . . . 8 GLN HB2 . 17880 1 61 . 1 1 9 9 GLN HB3 H 1 1.864 . . 2 . . . . 8 GLN HB3 . 17880 1 62 . 1 1 9 9 GLN CA C 13 56.531 . . 1 . . . . 8 GLN CA . 17880 1 63 . 1 1 9 9 GLN CB C 13 30.224 . . 1 . . . . 8 GLN CB . 17880 1 64 . 1 1 9 9 GLN CG C 13 36.211 . . 1 . . . . 8 GLN CG . 17880 1 65 . 1 1 9 9 GLN N N 15 120.767 . . 1 . . . . 8 GLN N . 17880 1 66 . 1 1 10 10 GLU H H 1 8.251 . . 1 . . . . 9 GLU H . 17880 1 67 . 1 1 10 10 GLU HA H 1 4.581 . . 1 . . . . 9 GLU HA . 17880 1 68 . 1 1 10 10 GLU HG2 H 1 2.287 . . 2 . . . . 9 GLU HG2 . 17880 1 69 . 1 1 10 10 GLU HG3 H 1 1.973 . . 2 . . . . 9 GLU HG3 . 17880 1 70 . 1 1 10 10 GLU CA C 13 55.456 . . 1 . . . . 9 GLU CA . 17880 1 71 . 1 1 10 10 GLU CB C 13 30.065 . . 1 . . . . 9 GLU CB . 17880 1 72 . 1 1 10 10 GLU CG C 13 35.050 . . 1 . . . . 9 GLU CG . 17880 1 73 . 1 1 10 10 GLU N N 15 119.565 . . 1 . . . . 9 GLU N . 17880 1 74 . 1 1 11 11 LYS H H 1 7.877 . . 1 . . . . 10 LYS H . 17880 1 75 . 1 1 11 11 LYS HB2 H 1 1.776 . . 2 . . . . 10 LYS HB2 . 17880 1 76 . 1 1 11 11 LYS HG2 H 1 1.377 . . 2 . . . . 10 LYS HG2 . 17880 1 77 . 1 1 11 11 LYS CA C 13 56.933 . . 1 . . . . 10 LYS CA . 17880 1 78 . 1 1 11 11 LYS CB C 13 28.012 . . 1 . . . . 10 LYS CB . 17880 1 79 . 1 1 11 11 LYS N N 15 121.841 . . 1 . . . . 10 LYS N . 17880 1 80 . 1 1 12 12 ILE H H 1 8.155 . . 1 . . . . 11 ILE H . 17880 1 81 . 1 1 12 12 ILE HA H 1 4.648 . . 1 . . . . 11 ILE HA . 17880 1 82 . 1 1 12 12 ILE HB H 1 1.783 . . 1 . . . . 11 ILE HB . 17880 1 83 . 1 1 12 12 ILE HG12 H 1 1.420 . . 2 . . . . 11 ILE HG12 . 17880 1 84 . 1 1 12 12 ILE HG21 H 1 1.106 . . 1 . . . . 11 ILE HG21 . 17880 1 85 . 1 1 12 12 ILE HG22 H 1 1.106 . . 1 . . . . 11 ILE HG21 . 17880 1 86 . 1 1 12 12 ILE HG23 H 1 1.106 . . 1 . . . . 11 ILE HG21 . 17880 1 87 . 1 1 12 12 ILE HD11 H 1 0.784 . . 1 . . . . 11 ILE HD11 . 17880 1 88 . 1 1 12 12 ILE HD12 H 1 0.784 . . 1 . . . . 11 ILE HD11 . 17880 1 89 . 1 1 12 12 ILE HD13 H 1 0.784 . . 1 . . . . 11 ILE HD11 . 17880 1 90 . 1 1 12 12 ILE CA C 13 61.597 . . 1 . . . . 11 ILE CA . 17880 1 91 . 1 1 12 12 ILE CB C 13 38.517 . . 1 . . . . 11 ILE CB . 17880 1 92 . 1 1 12 12 ILE CG1 C 13 27.878 . . 1 . . . . 11 ILE CG1 . 17880 1 93 . 1 1 12 12 ILE CG2 C 13 17.898 . . 1 . . . . 11 ILE CG2 . 17880 1 94 . 1 1 12 12 ILE N N 15 121.567 . . 1 . . . . 11 ILE N . 17880 1 95 . 1 1 13 13 SER H H 1 8.336 . . 1 . . . . 12 SER H . 17880 1 96 . 1 1 13 13 SER HA H 1 4.393 . . 1 . . . . 12 SER HA . 17880 1 97 . 1 1 13 13 SER HB2 H 1 3.873 . . 2 . . . . 12 SER HB2 . 17880 1 98 . 1 1 13 13 SER CA C 13 58.576 . . 1 . . . . 12 SER CA . 17880 1 99 . 1 1 13 13 SER CB C 13 63.898 . . 1 . . . . 12 SER CB . 17880 1 100 . 1 1 13 13 SER N N 15 118.989 . . 1 . . . . 12 SER N . 17880 1 101 . 1 1 14 14 THR H H 1 8.249 . . 1 . . . . 13 THR H . 17880 1 102 . 1 1 14 14 THR CB C 13 69.333 . . 1 . . . . 13 THR CB . 17880 1 103 . 1 1 14 14 THR N N 15 116.543 . . 1 . . . . 13 THR N . 17880 1 104 . 1 1 15 15 GLU HA H 1 4.192 . . 1 . . . . 14 GLU HA . 17880 1 105 . 1 1 15 15 GLU HB2 H 1 2.292 . . 2 . . . . 14 GLU HB2 . 17880 1 106 . 1 1 15 15 GLU HB3 H 1 1.364 . . 2 . . . . 14 GLU HB3 . 17880 1 107 . 1 1 15 15 GLU HG2 H 1 1.978 . . 2 . . . . 14 GLU HG2 . 17880 1 108 . 1 1 15 15 GLU HG3 H 1 1.579 . . 2 . . . . 14 GLU HG3 . 17880 1 109 . 1 1 15 15 GLU CA C 13 56.183 . . 1 . . . . 14 GLU CA . 17880 1 110 . 1 1 15 15 GLU CB C 13 29.286 . . 1 . . . . 14 GLU CB . 17880 1 111 . 1 1 15 15 GLU CG C 13 34.020 . . 1 . . . . 14 GLU CG . 17880 1 112 . 1 1 16 16 LEU H H 1 8.243 . . 1 . . . . 15 LEU H . 17880 1 113 . 1 1 16 16 LEU HA H 1 3.757 . . 1 . . . . 15 LEU HA . 17880 1 114 . 1 1 16 16 LEU HD11 H 1 0.761 . . 2 . . . . 15 LEU HD11 . 17880 1 115 . 1 1 16 16 LEU HD12 H 1 0.761 . . 2 . . . . 15 LEU HD11 . 17880 1 116 . 1 1 16 16 LEU HD13 H 1 0.761 . . 2 . . . . 15 LEU HD11 . 17880 1 117 . 1 1 16 16 LEU CA C 13 55.551 . . 1 . . . . 15 LEU CA . 17880 1 118 . 1 1 16 16 LEU CB C 13 41.668 . . 1 . . . . 15 LEU CB . 17880 1 119 . 1 1 16 16 LEU CG C 13 27.228 . . 1 . . . . 15 LEU CG . 17880 1 120 . 1 1 16 16 LEU CD1 C 13 24.736 . . 2 . . . . 15 LEU CD1 . 17880 1 121 . 1 1 16 16 LEU N N 15 121.412 . . 1 . . . . 15 LEU N . 17880 1 122 . 1 1 17 17 ASN H H 1 8.126 . . 1 . . . . 16 ASN H . 17880 1 123 . 1 1 17 17 ASN HA H 1 4.078 . . 1 . . . . 16 ASN HA . 17880 1 124 . 1 1 17 17 ASN HB2 H 1 2.880 . . 2 . . . . 16 ASN HB2 . 17880 1 125 . 1 1 17 17 ASN CA C 13 53.826 . . 1 . . . . 16 ASN CA . 17880 1 126 . 1 1 17 17 ASN CB C 13 38.706 . . 1 . . . . 16 ASN CB . 17880 1 127 . 1 1 17 17 ASN N N 15 118.275 . . 1 . . . . 16 ASN N . 17880 1 128 . 1 1 18 18 ASN H H 1 8.333 . . 1 . . . . 17 ASN H . 17880 1 129 . 1 1 18 18 ASN HA H 1 4.648 . . 1 . . . . 17 ASN HA . 17880 1 130 . 1 1 18 18 ASN HB2 H 1 2.894 . . 2 . . . . 17 ASN HB2 . 17880 1 131 . 1 1 18 18 ASN CA C 13 54.643 . . 1 . . . . 17 ASN CA . 17880 1 132 . 1 1 18 18 ASN CB C 13 38.729 . . 1 . . . . 17 ASN CB . 17880 1 133 . 1 1 18 18 ASN N N 15 119.020 . . 1 . . . . 17 ASN N . 17880 1 134 . 1 1 19 19 LYS H H 1 8.371 . . 1 . . . . 18 LYS H . 17880 1 135 . 1 1 19 19 LYS HA H 1 4.085 . . 1 . . . . 18 LYS HA . 17880 1 136 . 1 1 19 19 LYS HB2 H 1 1.893 . . 2 . . . . 18 LYS HB2 . 17880 1 137 . 1 1 19 19 LYS HG2 H 1 1.503 . . 2 . . . . 18 LYS HG2 . 17880 1 138 . 1 1 19 19 LYS HD2 H 1 1.694 . . 2 . . . . 18 LYS HD2 . 17880 1 139 . 1 1 19 19 LYS HE2 H 1 2.934 . . 2 . . . . 18 LYS HE2 . 17880 1 140 . 1 1 19 19 LYS CA C 13 58.894 . . 1 . . . . 18 LYS CA . 17880 1 141 . 1 1 19 19 LYS CB C 13 32.041 . . 1 . . . . 18 LYS CB . 17880 1 142 . 1 1 19 19 LYS CG C 13 25.187 . . 1 . . . . 18 LYS CG . 17880 1 143 . 1 1 19 19 LYS CD C 13 29.425 . . 1 . . . . 18 LYS CD . 17880 1 144 . 1 1 19 19 LYS N N 15 121.586 . . 1 . . . . 18 LYS N . 17880 1 145 . 1 1 20 20 GLN H H 1 8.230 . . 1 . . . . 19 GLN H . 17880 1 146 . 1 1 20 20 GLN HA H 1 3.927 . . 1 . . . . 19 GLN HA . 17880 1 147 . 1 1 20 20 GLN HB2 H 1 2.533 . . 2 . . . . 19 GLN HB2 . 17880 1 148 . 1 1 20 20 GLN HB3 H 1 2.159 . . 2 . . . . 19 GLN HB3 . 17880 1 149 . 1 1 20 20 GLN HG2 H 1 2.197 . . 2 . . . . 19 GLN HG2 . 17880 1 150 . 1 1 20 20 GLN HG3 H 1 1.553 . . 2 . . . . 19 GLN HG3 . 17880 1 151 . 1 1 20 20 GLN CA C 13 58.753 . . 1 . . . . 19 GLN CA . 17880 1 152 . 1 1 20 20 GLN CB C 13 28.198 . . 1 . . . . 19 GLN CB . 17880 1 153 . 1 1 20 20 GLN CG C 13 34.918 . . 1 . . . . 19 GLN CG . 17880 1 154 . 1 1 20 20 GLN N N 15 117.868 . . 1 . . . . 19 GLN N . 17880 1 155 . 1 1 21 21 TYR H H 1 7.994 . . 1 . . . . 20 TYR H . 17880 1 156 . 1 1 21 21 TYR HA H 1 4.245 . . 1 . . . . 20 TYR HA . 17880 1 157 . 1 1 21 21 TYR HB2 H 1 3.077 . . 2 . . . . 20 TYR HB2 . 17880 1 158 . 1 1 21 21 TYR CA C 13 61.495 . . 1 . . . . 20 TYR CA . 17880 1 159 . 1 1 21 21 TYR CB C 13 37.846 . . 1 . . . . 20 TYR CB . 17880 1 160 . 1 1 21 21 TYR N N 15 121.667 . . 1 . . . . 20 TYR N . 17880 1 161 . 1 1 22 22 GLU H H 1 8.147 . . 1 . . . . 21 GLU H . 17880 1 162 . 1 1 22 22 GLU HA H 1 4.166 . . 1 . . . . 21 GLU HA . 17880 1 163 . 1 1 22 22 GLU HB2 H 1 2.205 . . 2 . . . . 21 GLU HB2 . 17880 1 164 . 1 1 22 22 GLU HB3 H 1 1.941 . . 2 . . . . 21 GLU HB3 . 17880 1 165 . 1 1 22 22 GLU CA C 13 57.070 . . 1 . . . . 21 GLU CA . 17880 1 166 . 1 1 22 22 GLU CB C 13 29.901 . . 1 . . . . 21 GLU CB . 17880 1 167 . 1 1 22 22 GLU CG C 13 36.393 . . 1 . . . . 21 GLU CG . 17880 1 168 . 1 1 22 22 GLU N N 15 118.796 . . 1 . . . . 21 GLU N . 17880 1 169 . 1 1 23 23 LEU H H 1 8.279 . . 1 . . . . 22 LEU H . 17880 1 170 . 1 1 23 23 LEU HA H 1 3.960 . . 1 . . . . 22 LEU HA . 17880 1 171 . 1 1 23 23 LEU HB2 H 1 1.764 . . 2 . . . . 22 LEU HB2 . 17880 1 172 . 1 1 23 23 LEU HB3 H 1 1.496 . . 2 . . . . 22 LEU HB3 . 17880 1 173 . 1 1 23 23 LEU HD11 H 1 0.852 . . 2 . . . . 22 LEU HD11 . 17880 1 174 . 1 1 23 23 LEU HD12 H 1 0.852 . . 2 . . . . 22 LEU HD11 . 17880 1 175 . 1 1 23 23 LEU HD13 H 1 0.852 . . 2 . . . . 22 LEU HD11 . 17880 1 176 . 1 1 23 23 LEU HD21 H 1 1.511 . . 2 . . . . 22 LEU HD21 . 17880 1 177 . 1 1 23 23 LEU HD22 H 1 1.511 . . 2 . . . . 22 LEU HD21 . 17880 1 178 . 1 1 23 23 LEU HD23 H 1 1.511 . . 2 . . . . 22 LEU HD21 . 17880 1 179 . 1 1 23 23 LEU CA C 13 57.973 . . 1 . . . . 22 LEU CA . 17880 1 180 . 1 1 23 23 LEU CB C 13 41.680 . . 1 . . . . 22 LEU CB . 17880 1 181 . 1 1 23 23 LEU CD1 C 13 25.127 . . 2 . . . . 22 LEU CD1 . 17880 1 182 . 1 1 23 23 LEU N N 15 122.037 . . 1 . . . . 22 LEU N . 17880 1 183 . 1 1 24 24 PHE H H 1 7.905 . . 1 . . . . 23 PHE H . 17880 1 184 . 1 1 24 24 PHE HA H 1 3.995 . . 1 . . . . 23 PHE HA . 17880 1 185 . 1 1 24 24 PHE HB2 H 1 2.949 . . 2 . . . . 23 PHE HB2 . 17880 1 186 . 1 1 24 24 PHE HB3 H 1 2.884 . . 2 . . . . 23 PHE HB3 . 17880 1 187 . 1 1 24 24 PHE CA C 13 61.560 . . 1 . . . . 23 PHE CA . 17880 1 188 . 1 1 24 24 PHE CB C 13 39.206 . . 1 . . . . 23 PHE CB . 17880 1 189 . 1 1 24 24 PHE N N 15 121.885 . . 1 . . . . 23 PHE N . 17880 1 190 . 1 1 25 25 MET H H 1 8.425 . . 1 . . . . 24 MET H . 17880 1 191 . 1 1 25 25 MET HA H 1 4.014 . . 1 . . . . 24 MET HA . 17880 1 192 . 1 1 25 25 MET HB2 H 1 1.749 . . 2 . . . . 24 MET HB2 . 17880 1 193 . 1 1 25 25 MET HB3 H 1 1.323 . . 2 . . . . 24 MET HB3 . 17880 1 194 . 1 1 25 25 MET CA C 13 55.664 . . 1 . . . . 24 MET CA . 17880 1 195 . 1 1 25 25 MET CB C 13 28.369 . . 1 . . . . 24 MET CB . 17880 1 196 . 1 1 25 25 MET CG C 13 32.283 . . 1 . . . . 24 MET CG . 17880 1 197 . 1 1 25 25 MET N N 15 117.570 . . 1 . . . . 24 MET N . 17880 1 198 . 1 1 26 26 LYS H H 1 7.866 . . 1 . . . . 25 LYS H . 17880 1 199 . 1 1 26 26 LYS HA H 1 3.809 . . 1 . . . . 25 LYS HA . 17880 1 200 . 1 1 26 26 LYS HB2 H 1 1.781 . . 2 . . . . 25 LYS HB2 . 17880 1 201 . 1 1 26 26 LYS HB3 H 1 1.579 . . 2 . . . . 25 LYS HB3 . 17880 1 202 . 1 1 26 26 LYS HG2 H 1 1.302 . . 2 . . . . 25 LYS HG2 . 17880 1 203 . 1 1 26 26 LYS HE2 H 1 2.914 . . 2 . . . . 25 LYS HE2 . 17880 1 204 . 1 1 26 26 LYS CA C 13 59.897 . . 1 . . . . 25 LYS CA . 17880 1 205 . 1 1 26 26 LYS CB C 13 32.549 . . 1 . . . . 25 LYS CB . 17880 1 206 . 1 1 26 26 LYS CG C 13 25.349 . . 1 . . . . 25 LYS CG . 17880 1 207 . 1 1 26 26 LYS CD C 13 29.510 . . 1 . . . . 25 LYS CD . 17880 1 208 . 1 1 26 26 LYS N N 15 118.492 . . 1 . . . . 25 LYS N . 17880 1 209 . 1 1 27 27 SER H H 1 7.405 . . 1 . . . . 26 SER H . 17880 1 210 . 1 1 27 27 SER HA H 1 4.114 . . 1 . . . . 26 SER HA . 17880 1 211 . 1 1 27 27 SER CA C 13 60.796 . . 1 . . . . 26 SER CA . 17880 1 212 . 1 1 27 27 SER CB C 13 62.793 . . 1 . . . . 26 SER CB . 17880 1 213 . 1 1 27 27 SER N N 15 114.489 . . 1 . . . . 26 SER N . 17880 1 214 . 1 1 28 28 LEU H H 1 8.585 . . 1 . . . . 27 LEU H . 17880 1 215 . 1 1 28 28 LEU HA H 1 3.445 . . 1 . . . . 27 LEU HA . 17880 1 216 . 1 1 28 28 LEU HB2 H 1 1.139 . . 2 . . . . 27 LEU HB2 . 17880 1 217 . 1 1 28 28 LEU CA C 13 57.916 . . 1 . . . . 27 LEU CA . 17880 1 218 . 1 1 28 28 LEU CB C 13 40.701 . . 1 . . . . 27 LEU CB . 17880 1 219 . 1 1 28 28 LEU CG C 13 27.325 . . 1 . . . . 27 LEU CG . 17880 1 220 . 1 1 28 28 LEU N N 15 124.628 . . 1 . . . . 27 LEU N . 17880 1 221 . 1 1 29 29 ILE H H 1 8.814 . . 1 . . . . 28 ILE H . 17880 1 222 . 1 1 29 29 ILE HA H 1 3.428 . . 1 . . . . 28 ILE HA . 17880 1 223 . 1 1 29 29 ILE HG12 H 1 0.829 . . 2 . . . . 28 ILE HG12 . 17880 1 224 . 1 1 29 29 ILE CA C 13 65.675 . . 1 . . . . 28 ILE CA . 17880 1 225 . 1 1 29 29 ILE CB C 13 37.367 . . 1 . . . . 28 ILE CB . 17880 1 226 . 1 1 29 29 ILE N N 15 120.707 . . 1 . . . . 28 ILE N . 17880 1 227 . 1 1 30 30 GLU H H 1 7.768 . . 1 . . . . 29 GLU H . 17880 1 228 . 1 1 30 30 GLU HA H 1 3.988 . . 1 . . . . 29 GLU HA . 17880 1 229 . 1 1 30 30 GLU HB2 H 1 2.032 . . 2 . . . . 29 GLU HB2 . 17880 1 230 . 1 1 30 30 GLU HG2 H 1 2.273 . . 2 . . . . 29 GLU HG2 . 17880 1 231 . 1 1 30 30 GLU CA C 13 59.272 . . 1 . . . . 29 GLU CA . 17880 1 232 . 1 1 30 30 GLU CB C 13 28.957 . . 1 . . . . 29 GLU CB . 17880 1 233 . 1 1 30 30 GLU CG C 13 36.151 . . 1 . . . . 29 GLU CG . 17880 1 234 . 1 1 30 30 GLU N N 15 119.723 . . 1 . . . . 29 GLU N . 17880 1 235 . 1 1 31 31 ASN H H 1 7.960 . . 1 . . . . 30 ASN H . 17880 1 236 . 1 1 31 31 ASN HA H 1 4.301 . . 1 . . . . 30 ASN HA . 17880 1 237 . 1 1 31 31 ASN HB2 H 1 2.914 . . 2 . . . . 30 ASN HB2 . 17880 1 238 . 1 1 31 31 ASN HB3 H 1 2.685 . . 2 . . . . 30 ASN HB3 . 17880 1 239 . 1 1 31 31 ASN CA C 13 58.127 . . 1 . . . . 30 ASN CA . 17880 1 240 . 1 1 31 31 ASN CB C 13 41.167 . . 1 . . . . 30 ASN CB . 17880 1 241 . 1 1 31 31 ASN N N 15 119.971 . . 1 . . . . 30 ASN N . 17880 1 242 . 1 1 32 32 CYS H H 1 8.723 . . 1 . . . . 31 CYS H . 17880 1 243 . 1 1 32 32 CYS CA C 13 64.481 . . 1 . . . . 31 CYS CA . 17880 1 244 . 1 1 32 32 CYS CB C 13 25.945 . . 1 . . . . 31 CYS CB . 17880 1 245 . 1 1 32 32 CYS N N 15 117.670 . . 1 . . . . 31 CYS N . 17880 1 246 . 1 1 33 33 LYS H H 1 7.850 . . 1 . . . . 32 LYS H . 17880 1 247 . 1 1 33 33 LYS HA H 1 3.743 . . 1 . . . . 32 LYS HA . 17880 1 248 . 1 1 33 33 LYS CA C 13 59.593 . . 1 . . . . 32 LYS CA . 17880 1 249 . 1 1 33 33 LYS CB C 13 32.174 . . 1 . . . . 32 LYS CB . 17880 1 250 . 1 1 33 33 LYS CG C 13 25.448 . . 1 . . . . 32 LYS CG . 17880 1 251 . 1 1 33 33 LYS N N 15 119.961 . . 1 . . . . 32 LYS N . 17880 1 252 . 1 1 34 34 LYS H H 1 8.036 . . 1 . . . . 33 LYS H . 17880 1 253 . 1 1 34 34 LYS HA H 1 3.974 . . 1 . . . . 33 LYS HA . 17880 1 254 . 1 1 34 34 LYS HB2 H 1 1.891 . . 2 . . . . 33 LYS HB2 . 17880 1 255 . 1 1 34 34 LYS HG2 H 1 1.398 . . 2 . . . . 33 LYS HG2 . 17880 1 256 . 1 1 34 34 LYS HG3 H 1 1.567 . . 2 . . . . 33 LYS HG3 . 17880 1 257 . 1 1 34 34 LYS HE2 H 1 2.897 . . 2 . . . . 33 LYS HE2 . 17880 1 258 . 1 1 34 34 LYS CA C 13 58.955 . . 1 . . . . 33 LYS CA . 17880 1 259 . 1 1 34 34 LYS CB C 13 32.023 . . 1 . . . . 33 LYS CB . 17880 1 260 . 1 1 34 34 LYS CG C 13 25.401 . . 1 . . . . 33 LYS CG . 17880 1 261 . 1 1 34 34 LYS CE C 13 42.183 . . 1 . . . . 33 LYS CE . 17880 1 262 . 1 1 34 34 LYS N N 15 121.785 . . 1 . . . . 33 LYS N . 17880 1 263 . 1 1 35 35 ARG H H 1 7.212 . . 1 . . . . 34 ARG H . 17880 1 264 . 1 1 35 35 ARG HA H 1 4.212 . . 1 . . . . 34 ARG HA . 17880 1 265 . 1 1 35 35 ARG HB2 H 1 1.627 . . 2 . . . . 34 ARG HB2 . 17880 1 266 . 1 1 35 35 ARG CA C 13 56.039 . . 1 . . . . 34 ARG CA . 17880 1 267 . 1 1 35 35 ARG CB C 13 30.823 . . 1 . . . . 34 ARG CB . 17880 1 268 . 1 1 35 35 ARG N N 15 115.851 . . 1 . . . . 34 ARG N . 17880 1 269 . 1 1 36 36 ASN H H 1 8.039 . . 1 . . . . 35 ASN H . 17880 1 270 . 1 1 36 36 ASN HA H 1 4.312 . . 1 . . . . 35 ASN HA . 17880 1 271 . 1 1 36 36 ASN HB2 H 1 3.074 . . 2 . . . . 35 ASN HB2 . 17880 1 272 . 1 1 36 36 ASN HB3 H 1 2.797 . . 2 . . . . 35 ASN HB3 . 17880 1 273 . 1 1 36 36 ASN CA C 13 53.995 . . 1 . . . . 35 ASN CA . 17880 1 274 . 1 1 36 36 ASN CB C 13 36.946 . . 1 . . . . 35 ASN CB . 17880 1 275 . 1 1 36 36 ASN N N 15 115.680 . . 1 . . . . 35 ASN N . 17880 1 276 . 1 1 37 37 MET H H 1 8.035 . . 1 . . . . 36 MET H . 17880 1 277 . 1 1 37 37 MET CA C 13 52.431 . . 1 . . . . 36 MET CA . 17880 1 278 . 1 1 37 37 MET CB C 13 33.342 . . 1 . . . . 36 MET CB . 17880 1 279 . 1 1 37 37 MET N N 15 116.786 . . 1 . . . . 36 MET N . 17880 1 280 . 1 1 38 38 PRO HA H 1 4.038 . . 1 . . . . 37 PRO HA . 17880 1 281 . 1 1 38 38 PRO HB2 H 1 1.978 . . 2 . . . . 37 PRO HB2 . 17880 1 282 . 1 1 38 38 PRO HB3 H 1 1.654 . . 2 . . . . 37 PRO HB3 . 17880 1 283 . 1 1 38 38 PRO CA C 13 62.642 . . 1 . . . . 37 PRO CA . 17880 1 284 . 1 1 38 38 PRO CB C 13 32.073 . . 1 . . . . 37 PRO CB . 17880 1 285 . 1 1 38 38 PRO CG C 13 28.155 . . 1 . . . . 37 PRO CG . 17880 1 286 . 1 1 39 39 LEU H H 1 8.647 . . 1 . . . . 38 LEU H . 17880 1 287 . 1 1 39 39 LEU HA H 1 4.289 . . 1 . . . . 38 LEU HA . 17880 1 288 . 1 1 39 39 LEU HB2 H 1 1.428 . . 2 . . . . 38 LEU HB2 . 17880 1 289 . 1 1 39 39 LEU CA C 13 54.446 . . 1 . . . . 38 LEU CA . 17880 1 290 . 1 1 39 39 LEU CB C 13 41.339 . . 1 . . . . 38 LEU CB . 17880 1 291 . 1 1 39 39 LEU N N 15 124.830 . . 1 . . . . 38 LEU N . 17880 1 292 . 1 1 40 40 GLN H H 1 8.665 . . 1 . . . . 39 GLN H . 17880 1 293 . 1 1 40 40 GLN HA H 1 4.212 . . 1 . . . . 39 GLN HA . 17880 1 294 . 1 1 40 40 GLN HB2 H 1 2.236 . . 2 . . . . 39 GLN HB2 . 17880 1 295 . 1 1 40 40 GLN HB3 H 1 1.931 . . 2 . . . . 39 GLN HB3 . 17880 1 296 . 1 1 40 40 GLN CA C 13 56.940 . . 1 . . . . 39 GLN CA . 17880 1 297 . 1 1 40 40 GLN CB C 13 29.255 . . 1 . . . . 39 GLN CB . 17880 1 298 . 1 1 40 40 GLN CG C 13 34.282 . . 1 . . . . 39 GLN CG . 17880 1 299 . 1 1 40 40 GLN N N 15 125.403 . . 1 . . . . 39 GLN N . 17880 1 300 . 1 1 41 41 SER H H 1 7.574 . . 1 . . . . 40 SER H . 17880 1 301 . 1 1 41 41 SER HA H 1 4.425 . . 1 . . . . 40 SER HA . 17880 1 302 . 1 1 41 41 SER HB2 H 1 3.741 . . 2 . . . . 40 SER HB2 . 17880 1 303 . 1 1 41 41 SER CA C 13 57.239 . . 1 . . . . 40 SER CA . 17880 1 304 . 1 1 41 41 SER CB C 13 64.477 . . 1 . . . . 40 SER CB . 17880 1 305 . 1 1 41 41 SER N N 15 111.927 . . 1 . . . . 40 SER N . 17880 1 306 . 1 1 42 42 ILE H H 1 8.584 . . 1 . . . . 41 ILE H . 17880 1 307 . 1 1 42 42 ILE N N 15 123.702 . . 1 . . . . 41 ILE N . 17880 1 308 . 1 1 43 43 PRO HA H 1 4.387 . . 1 . . . . 42 PRO HA . 17880 1 309 . 1 1 43 43 PRO HB2 H 1 2.348 . . 2 . . . . 42 PRO HB2 . 17880 1 310 . 1 1 43 43 PRO HB3 H 1 1.720 . . 2 . . . . 42 PRO HB3 . 17880 1 311 . 1 1 43 43 PRO HG2 H 1 1.865 . . 2 . . . . 42 PRO HG2 . 17880 1 312 . 1 1 43 43 PRO CA C 13 63.130 . . 1 . . . . 42 PRO CA . 17880 1 313 . 1 1 43 43 PRO CB C 13 32.873 . . 1 . . . . 42 PRO CB . 17880 1 314 . 1 1 43 43 PRO CG C 13 27.785 . . 1 . . . . 42 PRO CG . 17880 1 315 . 1 1 44 44 GLU H H 1 8.186 . . 1 . . . . 43 GLU H . 17880 1 316 . 1 1 44 44 GLU HA H 1 5.014 . . 1 . . . . 43 GLU HA . 17880 1 317 . 1 1 44 44 GLU HB2 H 1 1.906 . . 2 . . . . 43 GLU HB2 . 17880 1 318 . 1 1 44 44 GLU CA C 13 54.079 . . 1 . . . . 43 GLU CA . 17880 1 319 . 1 1 44 44 GLU CB C 13 33.195 . . 1 . . . . 43 GLU CB . 17880 1 320 . 1 1 44 44 GLU N N 15 117.475 . . 1 . . . . 43 GLU N . 17880 1 321 . 1 1 45 45 ILE H H 1 8.193 . . 1 . . . . 44 ILE H . 17880 1 322 . 1 1 45 45 ILE HA H 1 4.149 . . 1 . . . . 44 ILE HA . 17880 1 323 . 1 1 45 45 ILE HG21 H 1 0.929 . . 1 . . . . 44 ILE HG2 . 17880 1 324 . 1 1 45 45 ILE HG22 H 1 0.929 . . 1 . . . . 44 ILE HG2 . 17880 1 325 . 1 1 45 45 ILE HG23 H 1 0.929 . . 1 . . . . 44 ILE HG2 . 17880 1 326 . 1 1 45 45 ILE CA C 13 61.079 . . 1 . . . . 44 ILE CA . 17880 1 327 . 1 1 45 45 ILE CB C 13 40.606 . . 1 . . . . 44 ILE CB . 17880 1 328 . 1 1 45 45 ILE N N 15 119.586 . . 1 . . . . 44 ILE N . 17880 1 329 . 1 1 46 46 GLY H H 1 9.418 . . 1 . . . . 45 GLY H . 17880 1 330 . 1 1 46 46 GLY HA2 H 1 3.798 . . 2 . . . . 45 GLY HA2 . 17880 1 331 . 1 1 46 46 GLY CA C 13 47.564 . . 1 . . . . 45 GLY CA . 17880 1 332 . 1 1 46 46 GLY N N 15 120.314 . . 1 . . . . 45 GLY N . 17880 1 333 . 1 1 47 47 ASN H H 1 8.836 . . 1 . . . . 46 ASN H . 17880 1 334 . 1 1 47 47 ASN HA H 1 4.384 . . 1 . . . . 46 ASN HA . 17880 1 335 . 1 1 47 47 ASN HB2 H 1 2.960 . . 2 . . . . 46 ASN HB2 . 17880 1 336 . 1 1 47 47 ASN CA C 13 53.945 . . 1 . . . . 46 ASN CA . 17880 1 337 . 1 1 47 47 ASN CB C 13 37.676 . . 1 . . . . 46 ASN CB . 17880 1 338 . 1 1 47 47 ASN N N 15 114.472 . . 1 . . . . 46 ASN N . 17880 1 339 . 1 1 48 48 ARG H H 1 7.669 . . 1 . . . . 47 ARG H . 17880 1 340 . 1 1 48 48 ARG HA H 1 4.613 . . 1 . . . . 47 ARG HA . 17880 1 341 . 1 1 48 48 ARG HB2 H 1 1.823 . . 2 . . . . 47 ARG HB2 . 17880 1 342 . 1 1 48 48 ARG HG2 H 1 0.732 . . 2 . . . . 47 ARG HG2 . 17880 1 343 . 1 1 48 48 ARG HD2 H 1 3.223 . . 2 . . . . 47 ARG HD2 . 17880 1 344 . 1 1 48 48 ARG CA C 13 54.548 . . 1 . . . . 47 ARG CA . 17880 1 345 . 1 1 48 48 ARG CB C 13 31.805 . . 1 . . . . 47 ARG CB . 17880 1 346 . 1 1 48 48 ARG CD C 13 35.419 . . 1 . . . . 47 ARG CD . 17880 1 347 . 1 1 48 48 ARG N N 15 119.247 . . 1 . . . . 47 ARG N . 17880 1 348 . 1 1 49 49 LYS H H 1 8.634 . . 1 . . . . 48 LYS H . 17880 1 349 . 1 1 49 49 LYS HA H 1 4.179 . . 1 . . . . 48 LYS HA . 17880 1 350 . 1 1 49 49 LYS HB2 H 1 1.964 . . 2 . . . . 48 LYS HB2 . 17880 1 351 . 1 1 49 49 LYS HB3 H 1 1.762 . . 2 . . . . 48 LYS HB3 . 17880 1 352 . 1 1 49 49 LYS HG2 H 1 1.660 . . 2 . . . . 48 LYS HG2 . 17880 1 353 . 1 1 49 49 LYS HD2 H 1 1.372 . . 2 . . . . 48 LYS HD2 . 17880 1 354 . 1 1 49 49 LYS HD3 H 1 2.218 . . 2 . . . . 48 LYS HD3 . 17880 1 355 . 1 1 49 49 LYS HE2 H 1 3.147 . . 2 . . . . 48 LYS HE2 . 17880 1 356 . 1 1 49 49 LYS CA C 13 56.964 . . 1 . . . . 48 LYS CA . 17880 1 357 . 1 1 49 49 LYS CB C 13 30.475 . . 1 . . . . 48 LYS CB . 17880 1 358 . 1 1 49 49 LYS CD C 13 27.197 . . 1 . . . . 48 LYS CD . 17880 1 359 . 1 1 49 49 LYS CE C 13 43.219 . . 1 . . . . 48 LYS CE . 17880 1 360 . 1 1 49 49 LYS N N 15 124.019 . . 1 . . . . 48 LYS N . 17880 1 361 . 1 1 50 50 ILE H H 1 8.078 . . 1 . . . . 49 ILE H . 17880 1 362 . 1 1 50 50 ILE HA H 1 3.999 . . 1 . . . . 49 ILE HA . 17880 1 363 . 1 1 50 50 ILE HB H 1 1.812 . . 1 . . . . 49 ILE HB . 17880 1 364 . 1 1 50 50 ILE HG12 H 1 1.128 . . 2 . . . . 49 ILE HG12 . 17880 1 365 . 1 1 50 50 ILE HG21 H 1 1.461 . . 1 . . . . 49 ILE HG21 . 17880 1 366 . 1 1 50 50 ILE HG22 H 1 1.461 . . 1 . . . . 49 ILE HG21 . 17880 1 367 . 1 1 50 50 ILE HG23 H 1 1.461 . . 1 . . . . 49 ILE HG21 . 17880 1 368 . 1 1 50 50 ILE HD11 H 1 0.812 . . 1 . . . . 49 ILE HD11 . 17880 1 369 . 1 1 50 50 ILE HD12 H 1 0.812 . . 1 . . . . 49 ILE HD11 . 17880 1 370 . 1 1 50 50 ILE HD13 H 1 0.812 . . 1 . . . . 49 ILE HD11 . 17880 1 371 . 1 1 50 50 ILE CA C 13 61.595 . . 1 . . . . 49 ILE CA . 17880 1 372 . 1 1 50 50 ILE CB C 13 38.302 . . 1 . . . . 49 ILE CB . 17880 1 373 . 1 1 50 50 ILE CG1 C 13 27.743 . . 1 . . . . 49 ILE CG1 . 17880 1 374 . 1 1 50 50 ILE CG2 C 13 17.910 . . 1 . . . . 49 ILE CG2 . 17880 1 375 . 1 1 50 50 ILE N N 15 121.399 . . 1 . . . . 49 ILE N . 17880 1 376 . 1 1 51 51 ASN H H 1 8.118 . . 1 . . . . 50 ASN H . 17880 1 377 . 1 1 51 51 ASN HA H 1 4.811 . . 1 . . . . 50 ASN HA . 17880 1 378 . 1 1 51 51 ASN HB2 H 1 3.053 . . 2 . . . . 50 ASN HB2 . 17880 1 379 . 1 1 51 51 ASN HB3 H 1 2.654 . . 2 . . . . 50 ASN HB3 . 17880 1 380 . 1 1 51 51 ASN CA C 13 52.194 . . 1 . . . . 50 ASN CA . 17880 1 381 . 1 1 51 51 ASN CB C 13 37.868 . . 1 . . . . 50 ASN CB . 17880 1 382 . 1 1 51 51 ASN N N 15 124.625 . . 1 . . . . 50 ASN N . 17880 1 383 . 1 1 52 52 LEU H H 1 9.431 . . 1 . . . . 51 LEU H . 17880 1 384 . 1 1 52 52 LEU HA H 1 3.941 . . 1 . . . . 51 LEU HA . 17880 1 385 . 1 1 52 52 LEU HB2 H 1 2.055 . . 2 . . . . 51 LEU HB2 . 17880 1 386 . 1 1 52 52 LEU CA C 13 57.869 . . 1 . . . . 51 LEU CA . 17880 1 387 . 1 1 52 52 LEU CB C 13 42.336 . . 1 . . . . 51 LEU CB . 17880 1 388 . 1 1 52 52 LEU CG C 13 26.947 . . 1 . . . . 51 LEU CG . 17880 1 389 . 1 1 52 52 LEU N N 15 126.126 . . 1 . . . . 51 LEU N . 17880 1 390 . 1 1 53 53 PHE H H 1 7.590 . . 1 . . . . 52 PHE H . 17880 1 391 . 1 1 53 53 PHE HB2 H 1 3.337 . . 2 . . . . 52 PHE HB2 . 17880 1 392 . 1 1 53 53 PHE HB3 H 1 2.857 . . 2 . . . . 52 PHE HB3 . 17880 1 393 . 1 1 53 53 PHE CA C 13 58.165 . . 1 . . . . 52 PHE CA . 17880 1 394 . 1 1 53 53 PHE CB C 13 39.353 . . 1 . . . . 52 PHE CB . 17880 1 395 . 1 1 53 53 PHE N N 15 118.393 . . 1 . . . . 52 PHE N . 17880 1 396 . 1 1 54 54 TYR H H 1 7.812 . . 1 . . . . 53 TYR H . 17880 1 397 . 1 1 54 54 TYR HA H 1 3.952 . . 1 . . . . 53 TYR HA . 17880 1 398 . 1 1 54 54 TYR HB2 H 1 2.924 . . 2 . . . . 53 TYR HB2 . 17880 1 399 . 1 1 54 54 TYR CB C 13 37.069 . . 1 . . . . 53 TYR CB . 17880 1 400 . 1 1 54 54 TYR N N 15 119.380 . . 1 . . . . 53 TYR N . 17880 1 401 . 1 1 55 55 LEU H H 1 8.236 . . 1 . . . . 54 LEU H . 17880 1 402 . 1 1 55 55 LEU HB2 H 1 1.804 . . 2 . . . . 54 LEU HB2 . 17880 1 403 . 1 1 55 55 LEU CA C 13 59.605 . . 1 . . . . 54 LEU CA . 17880 1 404 . 1 1 55 55 LEU CB C 13 37.991 . . 1 . . . . 54 LEU CB . 17880 1 405 . 1 1 55 55 LEU N N 15 117.851 . . 1 . . . . 54 LEU N . 17880 1 406 . 1 1 56 56 TYR H H 1 8.634 . . 1 . . . . 55 TYR H . 17880 1 407 . 1 1 56 56 TYR HA H 1 4.282 . . 1 . . . . 55 TYR HA . 17880 1 408 . 1 1 56 56 TYR HB2 H 1 3.405 . . 2 . . . . 55 TYR HB2 . 17880 1 409 . 1 1 56 56 TYR HB3 H 1 2.924 . . 2 . . . . 55 TYR HB3 . 17880 1 410 . 1 1 56 56 TYR CA C 13 63.116 . . 1 . . . . 55 TYR CA . 17880 1 411 . 1 1 56 56 TYR CB C 13 39.807 . . 1 . . . . 55 TYR CB . 17880 1 412 . 1 1 56 56 TYR N N 15 123.981 . . 1 . . . . 55 TYR N . 17880 1 413 . 1 1 57 57 MET H H 1 8.336 . . 1 . . . . 56 MET H . 17880 1 414 . 1 1 57 57 MET HA H 1 4.001 . . 1 . . . . 56 MET HA . 17880 1 415 . 1 1 57 57 MET HB2 H 1 1.947 . . 2 . . . . 56 MET HB2 . 17880 1 416 . 1 1 57 57 MET HB3 H 1 1.491 . . 2 . . . . 56 MET HB3 . 17880 1 417 . 1 1 57 57 MET HG2 H 1 2.213 . . 2 . . . . 56 MET HG2 . 17880 1 418 . 1 1 57 57 MET CA C 13 57.232 . . 1 . . . . 56 MET CA . 17880 1 419 . 1 1 57 57 MET CB C 13 30.878 . . 1 . . . . 56 MET CB . 17880 1 420 . 1 1 57 57 MET N N 15 115.966 . . 1 . . . . 56 MET N . 17880 1 421 . 1 1 58 58 LEU H H 1 8.368 . . 1 . . . . 57 LEU H . 17880 1 422 . 1 1 58 58 LEU HA H 1 3.876 . . 1 . . . . 57 LEU HA . 17880 1 423 . 1 1 58 58 LEU HB2 H 1 1.612 . . 2 . . . . 57 LEU HB2 . 17880 1 424 . 1 1 58 58 LEU HB3 H 1 1.392 . . 2 . . . . 57 LEU HB3 . 17880 1 425 . 1 1 58 58 LEU HD11 H 1 0.704 . . 2 . . . . 57 LEU HD11 . 17880 1 426 . 1 1 58 58 LEU HD12 H 1 0.704 . . 2 . . . . 57 LEU HD11 . 17880 1 427 . 1 1 58 58 LEU HD13 H 1 0.704 . . 2 . . . . 57 LEU HD11 . 17880 1 428 . 1 1 58 58 LEU CA C 13 57.667 . . 1 . . . . 57 LEU CA . 17880 1 429 . 1 1 58 58 LEU CB C 13 42.408 . . 1 . . . . 57 LEU CB . 17880 1 430 . 1 1 58 58 LEU CG C 13 26.375 . . 1 . . . . 57 LEU CG . 17880 1 431 . 1 1 58 58 LEU CD1 C 13 24.990 . . 2 . . . . 57 LEU CD1 . 17880 1 432 . 1 1 58 58 LEU N N 15 122.059 . . 1 . . . . 57 LEU N . 17880 1 433 . 1 1 59 59 VAL H H 1 7.950 . . 1 . . . . 58 VAL H . 17880 1 434 . 1 1 59 59 VAL HA H 1 4.180 . . 1 . . . . 58 VAL HA . 17880 1 435 . 1 1 59 59 VAL HB H 1 3.040 . . 1 . . . . 58 VAL HB . 17880 1 436 . 1 1 59 59 VAL HG11 H 1 0.675 . . 2 . . . . 58 VAL HG11 . 17880 1 437 . 1 1 59 59 VAL HG12 H 1 0.675 . . 2 . . . . 58 VAL HG11 . 17880 1 438 . 1 1 59 59 VAL HG13 H 1 0.675 . . 2 . . . . 58 VAL HG11 . 17880 1 439 . 1 1 59 59 VAL CA C 13 67.222 . . 1 . . . . 58 VAL CA . 17880 1 440 . 1 1 59 59 VAL CB C 13 30.291 . . 1 . . . . 58 VAL CB . 17880 1 441 . 1 1 59 59 VAL N N 15 118.223 . . 1 . . . . 58 VAL N . 17880 1 442 . 1 1 60 60 GLN H H 1 8.074 . . 1 . . . . 59 GLN H . 17880 1 443 . 1 1 60 60 GLN HA H 1 3.665 . . 1 . . . . 59 GLN HA . 17880 1 444 . 1 1 60 60 GLN HB2 H 1 1.953 . . 2 . . . . 59 GLN HB2 . 17880 1 445 . 1 1 60 60 GLN CA C 13 58.196 . . 1 . . . . 59 GLN CA . 17880 1 446 . 1 1 60 60 GLN CB C 13 27.238 . . 1 . . . . 59 GLN CB . 17880 1 447 . 1 1 60 60 GLN CG C 13 33.190 . . 1 . . . . 59 GLN CG . 17880 1 448 . 1 1 60 60 GLN N N 15 118.724 . . 1 . . . . 59 GLN N . 17880 1 449 . 1 1 61 61 LYS H H 1 7.835 . . 1 . . . . 60 LYS H . 17880 1 450 . 1 1 61 61 LYS HA H 1 3.864 . . 1 . . . . 60 LYS HA . 17880 1 451 . 1 1 61 61 LYS HB2 H 1 1.811 . . 2 . . . . 60 LYS HB2 . 17880 1 452 . 1 1 61 61 LYS HG2 H 1 1.099 . . 2 . . . . 60 LYS HG2 . 17880 1 453 . 1 1 61 61 LYS HG3 H 1 1.314 . . 2 . . . . 60 LYS HG3 . 17880 1 454 . 1 1 61 61 LYS HD2 H 1 1.410 . . 2 . . . . 60 LYS HD2 . 17880 1 455 . 1 1 61 61 LYS CA C 13 58.807 . . 1 . . . . 60 LYS CA . 17880 1 456 . 1 1 61 61 LYS CB C 13 31.322 . . 1 . . . . 60 LYS CB . 17880 1 457 . 1 1 61 61 LYS CG C 13 24.773 . . 1 . . . . 60 LYS CG . 17880 1 458 . 1 1 61 61 LYS CD C 13 29.269 . . 1 . . . . 60 LYS CD . 17880 1 459 . 1 1 61 61 LYS N N 15 122.835 . . 1 . . . . 60 LYS N . 17880 1 460 . 1 1 62 62 PHE H H 1 7.308 . . 1 . . . . 61 PHE H . 17880 1 461 . 1 1 62 62 PHE HA H 1 4.314 . . 1 . . . . 61 PHE HA . 17880 1 462 . 1 1 62 62 PHE HB2 H 1 3.060 . . 2 . . . . 61 PHE HB2 . 17880 1 463 . 1 1 62 62 PHE HB3 H 1 2.397 . . 2 . . . . 61 PHE HB3 . 17880 1 464 . 1 1 62 62 PHE CA C 13 57.627 . . 1 . . . . 61 PHE CA . 17880 1 465 . 1 1 62 62 PHE CB C 13 39.340 . . 1 . . . . 61 PHE CB . 17880 1 466 . 1 1 62 62 PHE N N 15 116.795 . . 1 . . . . 61 PHE N . 17880 1 467 . 1 1 63 63 GLY H H 1 7.462 . . 1 . . . . 62 GLY H . 17880 1 468 . 1 1 63 63 GLY HA2 H 1 4.271 . . 2 . . . . 62 GLY HA2 . 17880 1 469 . 1 1 63 63 GLY HA3 H 1 3.617 . . 2 . . . . 62 GLY HA3 . 17880 1 470 . 1 1 63 63 GLY CA C 13 45.146 . . 1 . . . . 62 GLY CA . 17880 1 471 . 1 1 63 63 GLY N N 15 105.339 . . 1 . . . . 62 GLY N . 17880 1 472 . 1 1 64 64 GLY H H 1 8.286 . . 1 . . . . 63 GLY H . 17880 1 473 . 1 1 64 64 GLY HA2 H 1 4.517 . . 2 . . . . 63 GLY HA2 . 17880 1 474 . 1 1 64 64 GLY HA3 H 1 3.258 . . 2 . . . . 63 GLY HA3 . 17880 1 475 . 1 1 64 64 GLY CA C 13 43.782 . . 1 . . . . 63 GLY CA . 17880 1 476 . 1 1 64 64 GLY N N 15 111.067 . . 1 . . . . 63 GLY N . 17880 1 477 . 1 1 65 65 ALA H H 1 9.279 . . 1 . . . . 64 ALA H . 17880 1 478 . 1 1 65 65 ALA HA H 1 3.434 . . 1 . . . . 64 ALA HA . 17880 1 479 . 1 1 65 65 ALA HB1 H 1 1.543 . . 1 . . . . 64 ALA HB1 . 17880 1 480 . 1 1 65 65 ALA HB2 H 1 1.543 . . 1 . . . . 64 ALA HB1 . 17880 1 481 . 1 1 65 65 ALA HB3 H 1 1.543 . . 1 . . . . 64 ALA HB1 . 17880 1 482 . 1 1 65 65 ALA CA C 13 56.322 . . 1 . . . . 64 ALA CA . 17880 1 483 . 1 1 65 65 ALA CB C 13 20.449 . . 1 . . . . 64 ALA CB . 17880 1 484 . 1 1 65 65 ALA N N 15 122.957 . . 1 . . . . 64 ALA N . 17880 1 485 . 1 1 66 66 ASP H H 1 9.423 . . 1 . . . . 65 ASP H . 17880 1 486 . 1 1 66 66 ASP HA H 1 4.495 . . 1 . . . . 65 ASP HA . 17880 1 487 . 1 1 66 66 ASP HB2 H 1 2.622 . . 2 . . . . 65 ASP HB2 . 17880 1 488 . 1 1 66 66 ASP CA C 13 57.867 . . 1 . . . . 65 ASP CA . 17880 1 489 . 1 1 66 66 ASP CB C 13 39.915 . . 1 . . . . 65 ASP CB . 17880 1 490 . 1 1 66 66 ASP N N 15 118.879 . . 1 . . . . 65 ASP N . 17880 1 491 . 1 1 67 67 GLN H H 1 7.965 . . 1 . . . . 66 GLN H . 17880 1 492 . 1 1 67 67 GLN HA H 1 4.086 . . 1 . . . . 66 GLN HA . 17880 1 493 . 1 1 67 67 GLN HG2 H 1 2.529 . . 2 . . . . 66 GLN HG2 . 17880 1 494 . 1 1 67 67 GLN HG3 H 1 2.260 . . 2 . . . . 66 GLN HG3 . 17880 1 495 . 1 1 67 67 GLN CA C 13 58.617 . . 1 . . . . 66 GLN CA . 17880 1 496 . 1 1 67 67 GLN CB C 13 27.576 . . 1 . . . . 66 GLN CB . 17880 1 497 . 1 1 67 67 GLN CG C 13 33.125 . . 1 . . . . 66 GLN CG . 17880 1 498 . 1 1 67 67 GLN N N 15 121.371 . . 1 . . . . 66 GLN N . 17880 1 499 . 1 1 68 68 VAL H H 1 8.051 . . 1 . . . . 67 VAL H . 17880 1 500 . 1 1 68 68 VAL HA H 1 4.742 . . 1 . . . . 67 VAL HA . 17880 1 501 . 1 1 68 68 VAL HB H 1 3.000 . . 1 . . . . 67 VAL HB . 17880 1 502 . 1 1 68 68 VAL HG11 H 1 0.358 . . 2 . . . . 67 VAL HG11 . 17880 1 503 . 1 1 68 68 VAL HG12 H 1 0.358 . . 2 . . . . 67 VAL HG11 . 17880 1 504 . 1 1 68 68 VAL HG13 H 1 0.358 . . 2 . . . . 67 VAL HG11 . 17880 1 505 . 1 1 68 68 VAL CA C 13 66.768 . . 1 . . . . 67 VAL CA . 17880 1 506 . 1 1 68 68 VAL CB C 13 31.401 . . 1 . . . . 67 VAL CB . 17880 1 507 . 1 1 68 68 VAL CG1 C 13 19.543 . . 2 . . . . 67 VAL CG1 . 17880 1 508 . 1 1 68 68 VAL CG2 C 13 24.827 . . 2 . . . . 67 VAL CG2 . 17880 1 509 . 1 1 68 68 VAL N N 15 122.318 . . 1 . . . . 67 VAL N . 17880 1 510 . 1 1 69 69 THR H H 1 8.517 . . 1 . . . . 68 THR H . 17880 1 511 . 1 1 69 69 THR HA H 1 4.213 . . 1 . . . . 68 THR HA . 17880 1 512 . 1 1 69 69 THR HB H 1 4.535 . . 1 . . . . 68 THR HB . 17880 1 513 . 1 1 69 69 THR HG21 H 1 1.445 . . 1 . . . . 68 THR HG21 . 17880 1 514 . 1 1 69 69 THR HG22 H 1 1.445 . . 1 . . . . 68 THR HG21 . 17880 1 515 . 1 1 69 69 THR HG23 H 1 1.445 . . 1 . . . . 68 THR HG21 . 17880 1 516 . 1 1 69 69 THR CA C 13 67.376 . . 1 . . . . 68 THR CA . 17880 1 517 . 1 1 69 69 THR CB C 13 68.990 . . 1 . . . . 68 THR CB . 17880 1 518 . 1 1 69 69 THR CG2 C 13 21.701 . . 1 . . . . 68 THR CG2 . 17880 1 519 . 1 1 69 69 THR N N 15 116.517 . . 1 . . . . 68 THR N . 17880 1 520 . 1 1 70 70 ARG H H 1 8.699 . . 1 . . . . 69 ARG H . 17880 1 521 . 1 1 70 70 ARG HA H 1 4.151 . . 1 . . . . 69 ARG HA . 17880 1 522 . 1 1 70 70 ARG HB2 H 1 1.947 . . 2 . . . . 69 ARG HB2 . 17880 1 523 . 1 1 70 70 ARG HG2 H 1 1.709 . . 2 . . . . 69 ARG HG2 . 17880 1 524 . 1 1 70 70 ARG HD2 H 1 3.179 . . 2 . . . . 69 ARG HD2 . 17880 1 525 . 1 1 70 70 ARG CA C 13 59.634 . . 1 . . . . 69 ARG CA . 17880 1 526 . 1 1 70 70 ARG CB C 13 30.427 . . 1 . . . . 69 ARG CB . 17880 1 527 . 1 1 70 70 ARG CG C 13 27.859 . . 1 . . . . 69 ARG CG . 17880 1 528 . 1 1 70 70 ARG CD C 13 43.240 . . 1 . . . . 69 ARG CD . 17880 1 529 . 1 1 70 70 ARG N N 15 123.067 . . 1 . . . . 69 ARG N . 17880 1 530 . 1 1 71 71 THR H H 1 7.667 . . 1 . . . . 70 THR H . 17880 1 531 . 1 1 71 71 THR HA H 1 4.319 . . 1 . . . . 70 THR HA . 17880 1 532 . 1 1 71 71 THR HG21 H 1 1.200 . . 1 . . . . 70 THR HG21 . 17880 1 533 . 1 1 71 71 THR HG22 H 1 1.200 . . 1 . . . . 70 THR HG21 . 17880 1 534 . 1 1 71 71 THR HG23 H 1 1.200 . . 1 . . . . 70 THR HG21 . 17880 1 535 . 1 1 71 71 THR CA C 13 61.492 . . 1 . . . . 70 THR CA . 17880 1 536 . 1 1 71 71 THR CB C 13 69.613 . . 1 . . . . 70 THR CB . 17880 1 537 . 1 1 71 71 THR CG2 C 13 21.804 . . 1 . . . . 70 THR CG2 . 17880 1 538 . 1 1 71 71 THR N N 15 107.023 . . 1 . . . . 70 THR N . 17880 1 539 . 1 1 72 72 GLN H H 1 7.750 . . 1 . . . . 71 GLN H . 17880 1 540 . 1 1 72 72 GLN HA H 1 4.187 . . 1 . . . . 71 GLN HA . 17880 1 541 . 1 1 72 72 GLN HB2 H 1 2.257 . . 2 . . . . 71 GLN HB2 . 17880 1 542 . 1 1 72 72 GLN HB3 H 1 2.315 . . 2 . . . . 71 GLN HB3 . 17880 1 543 . 1 1 72 72 GLN CA C 13 56.794 . . 1 . . . . 71 GLN CA . 17880 1 544 . 1 1 72 72 GLN CB C 13 26.029 . . 1 . . . . 71 GLN CB . 17880 1 545 . 1 1 72 72 GLN CG C 13 34.644 . . 1 . . . . 71 GLN CG . 17880 1 546 . 1 1 72 72 GLN N N 15 118.170 . . 1 . . . . 71 GLN N . 17880 1 547 . 1 1 73 73 GLN H H 1 8.462 . . 1 . . . . 72 GLN H . 17880 1 548 . 1 1 73 73 GLN HA H 1 4.545 . . 1 . . . . 72 GLN HA . 17880 1 549 . 1 1 73 73 GLN HB2 H 1 3.006 . . 2 . . . . 72 GLN HB2 . 17880 1 550 . 1 1 73 73 GLN CA C 13 55.746 . . 1 . . . . 72 GLN CA . 17880 1 551 . 1 1 73 73 GLN CB C 13 30.020 . . 1 . . . . 72 GLN CB . 17880 1 552 . 1 1 73 73 GLN N N 15 115.169 . . 1 . . . . 72 GLN N . 17880 1 553 . 1 1 74 74 TRP H H 1 10.402 . . 1 . . . . 73 TRP H . 17880 1 554 . 1 1 74 74 TRP HB2 H 1 3.302 . . 2 . . . . 73 TRP HB2 . 17880 1 555 . 1 1 74 74 TRP HB3 H 1 3.784 . . 2 . . . . 73 TRP HB3 . 17880 1 556 . 1 1 74 74 TRP CA C 13 61.694 . . 1 . . . . 73 TRP CA . 17880 1 557 . 1 1 74 74 TRP CB C 13 28.332 . . 1 . . . . 73 TRP CB . 17880 1 558 . 1 1 74 74 TRP N N 15 129.729 . . 1 . . . . 73 TRP N . 17880 1 559 . 1 1 75 75 SER H H 1 8.339 . . 1 . . . . 74 SER H . 17880 1 560 . 1 1 75 75 SER HA H 1 3.653 . . 1 . . . . 74 SER HA . 17880 1 561 . 1 1 75 75 SER HB2 H 1 3.169 . . 2 . . . . 74 SER HB2 . 17880 1 562 . 1 1 75 75 SER HB3 H 1 2.837 . . 2 . . . . 74 SER HB3 . 17880 1 563 . 1 1 75 75 SER CA C 13 60.915 . . 1 . . . . 74 SER CA . 17880 1 564 . 1 1 75 75 SER N N 15 113.459 . . 1 . . . . 74 SER N . 17880 1 565 . 1 1 76 76 MET H H 1 6.934 . . 1 . . . . 75 MET H . 17880 1 566 . 1 1 76 76 MET HA H 1 4.163 . . 1 . . . . 75 MET HA . 17880 1 567 . 1 1 76 76 MET HB2 H 1 2.470 . . 2 . . . . 75 MET HB2 . 17880 1 568 . 1 1 76 76 MET HG2 H 1 1.998 . . 2 . . . . 75 MET HG2 . 17880 1 569 . 1 1 76 76 MET CA C 13 58.173 . . 1 . . . . 75 MET CA . 17880 1 570 . 1 1 76 76 MET CB C 13 31.370 . . 1 . . . . 75 MET CB . 17880 1 571 . 1 1 76 76 MET CG C 13 31.835 . . 1 . . . . 75 MET CG . 17880 1 572 . 1 1 76 76 MET N N 15 123.109 . . 1 . . . . 75 MET N . 17880 1 573 . 1 1 77 77 VAL H H 1 7.393 . . 1 . . . . 76 VAL H . 17880 1 574 . 1 1 77 77 VAL HA H 1 3.092 . . 1 . . . . 76 VAL HA . 17880 1 575 . 1 1 77 77 VAL HG11 H 1 0.131 . . 2 . . . . 76 VAL HG11 . 17880 1 576 . 1 1 77 77 VAL HG12 H 1 0.131 . . 2 . . . . 76 VAL HG11 . 17880 1 577 . 1 1 77 77 VAL HG13 H 1 0.131 . . 2 . . . . 76 VAL HG11 . 17880 1 578 . 1 1 77 77 VAL HG21 H 1 0.715 . . 2 . . . . 76 VAL HG21 . 17880 1 579 . 1 1 77 77 VAL HG22 H 1 0.715 . . 2 . . . . 76 VAL HG21 . 17880 1 580 . 1 1 77 77 VAL HG23 H 1 0.715 . . 2 . . . . 76 VAL HG21 . 17880 1 581 . 1 1 77 77 VAL CA C 13 66.645 . . 1 . . . . 76 VAL CA . 17880 1 582 . 1 1 77 77 VAL CG1 C 13 21.818 . . 2 . . . . 76 VAL CG1 . 17880 1 583 . 1 1 77 77 VAL N N 15 120.477 . . 1 . . . . 76 VAL N . 17880 1 584 . 1 1 78 78 ALA H H 1 8.252 . . 1 . . . . 77 ALA H . 17880 1 585 . 1 1 78 78 ALA HA H 1 4.160 . . 1 . . . . 77 ALA HA . 17880 1 586 . 1 1 78 78 ALA HB1 H 1 1.574 . . 1 . . . . 77 ALA HB1 . 17880 1 587 . 1 1 78 78 ALA HB2 H 1 1.574 . . 1 . . . . 77 ALA HB1 . 17880 1 588 . 1 1 78 78 ALA HB3 H 1 1.574 . . 1 . . . . 77 ALA HB1 . 17880 1 589 . 1 1 78 78 ALA CA C 13 55.692 . . 1 . . . . 77 ALA CA . 17880 1 590 . 1 1 78 78 ALA CB C 13 18.251 . . 1 . . . . 77 ALA CB . 17880 1 591 . 1 1 78 78 ALA N N 15 118.481 . . 1 . . . . 77 ALA N . 17880 1 592 . 1 1 79 79 GLN H H 1 8.114 . . 1 . . . . 78 GLN H . 17880 1 593 . 1 1 79 79 GLN HA H 1 4.040 . . 1 . . . . 78 GLN HA . 17880 1 594 . 1 1 79 79 GLN HB2 H 1 2.197 . . 2 . . . . 78 GLN HB2 . 17880 1 595 . 1 1 79 79 GLN HG2 H 1 2.527 . . 2 . . . . 78 GLN HG2 . 17880 1 596 . 1 1 79 79 GLN HG3 H 1 2.368 . . 2 . . . . 78 GLN HG3 . 17880 1 597 . 1 1 79 79 GLN CA C 13 59.218 . . 1 . . . . 78 GLN CA . 17880 1 598 . 1 1 79 79 GLN CB C 13 28.353 . . 1 . . . . 78 GLN CB . 17880 1 599 . 1 1 79 79 GLN CG C 13 34.103 . . 1 . . . . 78 GLN CG . 17880 1 600 . 1 1 79 79 GLN N N 15 118.364 . . 1 . . . . 78 GLN N . 17880 1 601 . 1 1 80 80 ARG H H 1 7.716 . . 1 . . . . 79 ARG H . 17880 1 602 . 1 1 80 80 ARG HA H 1 4.093 . . 1 . . . . 79 ARG HA . 17880 1 603 . 1 1 80 80 ARG HB2 H 1 2.053 . . 2 . . . . 79 ARG HB2 . 17880 1 604 . 1 1 80 80 ARG HB3 H 1 1.909 . . 2 . . . . 79 ARG HB3 . 17880 1 605 . 1 1 80 80 ARG HG2 H 1 1.788 . . 2 . . . . 79 ARG HG2 . 17880 1 606 . 1 1 80 80 ARG HD2 H 1 3.226 . . 2 . . . . 79 ARG HD2 . 17880 1 607 . 1 1 80 80 ARG CA C 13 57.748 . . 1 . . . . 79 ARG CA . 17880 1 608 . 1 1 80 80 ARG CB C 13 29.473 . . 1 . . . . 79 ARG CB . 17880 1 609 . 1 1 80 80 ARG CG C 13 27.651 . . 1 . . . . 79 ARG CG . 17880 1 610 . 1 1 80 80 ARG CD C 13 42.323 . . 1 . . . . 79 ARG CD . 17880 1 611 . 1 1 80 80 ARG N N 15 119.035 . . 1 . . . . 79 ARG N . 17880 1 612 . 1 1 81 81 LEU H H 1 7.361 . . 1 . . . . 80 LEU H . 17880 1 613 . 1 1 81 81 LEU HA H 1 4.379 . . 1 . . . . 80 LEU HA . 17880 1 614 . 1 1 81 81 LEU HB2 H 1 1.828 . . 2 . . . . 80 LEU HB2 . 17880 1 615 . 1 1 81 81 LEU HB3 H 1 1.614 . . 2 . . . . 80 LEU HB3 . 17880 1 616 . 1 1 81 81 LEU HD21 H 1 0.831 . . 2 . . . . 80 LEU HD2 . 17880 1 617 . 1 1 81 81 LEU HD22 H 1 0.831 . . 2 . . . . 80 LEU HD2 . 17880 1 618 . 1 1 81 81 LEU HD23 H 1 0.831 . . 2 . . . . 80 LEU HD2 . 17880 1 619 . 1 1 81 81 LEU CA C 13 54.391 . . 1 . . . . 80 LEU CA . 17880 1 620 . 1 1 81 81 LEU CB C 13 42.669 . . 1 . . . . 80 LEU CB . 17880 1 621 . 1 1 81 81 LEU CG C 13 27.522 . . 1 . . . . 80 LEU CG . 17880 1 622 . 1 1 81 81 LEU N N 15 118.255 . . 1 . . . . 80 LEU N . 17880 1 623 . 1 1 82 82 GLN H H 1 7.856 . . 1 . . . . 81 GLN H . 17880 1 624 . 1 1 82 82 GLN HA H 1 3.846 . . 1 . . . . 81 GLN HA . 17880 1 625 . 1 1 82 82 GLN HB2 H 1 2.253 . . 2 . . . . 81 GLN HB2 . 17880 1 626 . 1 1 82 82 GLN HB3 H 1 2.208 . . 2 . . . . 81 GLN HB3 . 17880 1 627 . 1 1 82 82 GLN CA C 13 57.186 . . 1 . . . . 81 GLN CA . 17880 1 628 . 1 1 82 82 GLN CB C 13 25.875 . . 1 . . . . 81 GLN CB . 17880 1 629 . 1 1 82 82 GLN CG C 13 34.480 . . 1 . . . . 81 GLN CG . 17880 1 630 . 1 1 82 82 GLN N N 15 114.871 . . 1 . . . . 81 GLN N . 17880 1 631 . 1 1 83 83 ILE H H 1 8.068 . . 1 . . . . 82 ILE H . 17880 1 632 . 1 1 83 83 ILE HA H 1 4.297 . . 1 . . . . 82 ILE HA . 17880 1 633 . 1 1 83 83 ILE HB H 1 1.531 . . 1 . . . . 82 ILE HB . 17880 1 634 . 1 1 83 83 ILE HD11 H 1 0.809 . . 1 . . . . 82 ILE HD11 . 17880 1 635 . 1 1 83 83 ILE HD12 H 1 0.809 . . 1 . . . . 82 ILE HD11 . 17880 1 636 . 1 1 83 83 ILE HD13 H 1 0.809 . . 1 . . . . 82 ILE HD11 . 17880 1 637 . 1 1 83 83 ILE CA C 13 59.225 . . 1 . . . . 82 ILE CA . 17880 1 638 . 1 1 83 83 ILE CB C 13 40.216 . . 1 . . . . 82 ILE CB . 17880 1 639 . 1 1 83 83 ILE CG1 C 13 18.737 . . 1 . . . . 82 ILE CG1 . 17880 1 640 . 1 1 83 83 ILE CD1 C 13 14.400 . . 1 . . . . 82 ILE CD1 . 17880 1 641 . 1 1 83 83 ILE N N 15 119.417 . . 1 . . . . 82 ILE N . 17880 1 642 . 1 1 84 84 SER H H 1 8.606 . . 1 . . . . 83 SER H . 17880 1 643 . 1 1 84 84 SER HA H 1 4.393 . . 1 . . . . 83 SER HA . 17880 1 644 . 1 1 84 84 SER HB2 H 1 3.874 . . 2 . . . . 83 SER HB2 . 17880 1 645 . 1 1 84 84 SER CA C 13 59.700 . . 1 . . . . 83 SER CA . 17880 1 646 . 1 1 84 84 SER CB C 13 63.871 . . 1 . . . . 83 SER CB . 17880 1 647 . 1 1 84 84 SER N N 15 120.857 . . 1 . . . . 83 SER N . 17880 1 648 . 1 1 85 85 ASP H H 1 7.341 . . 1 . . . . 84 ASP H . 17880 1 649 . 1 1 85 85 ASP HA H 1 4.751 . . 1 . . . . 84 ASP HA . 17880 1 650 . 1 1 85 85 ASP HB2 H 1 2.839 . . 2 . . . . 84 ASP HB2 . 17880 1 651 . 1 1 85 85 ASP HB3 H 1 2.356 . . 2 . . . . 84 ASP HB3 . 17880 1 652 . 1 1 85 85 ASP CA C 13 52.334 . . 1 . . . . 84 ASP CA . 17880 1 653 . 1 1 85 85 ASP CB C 13 39.553 . . 1 . . . . 84 ASP CB . 17880 1 654 . 1 1 85 85 ASP N N 15 121.817 . . 1 . . . . 84 ASP N . 17880 1 655 . 1 1 86 86 TYR H H 1 7.717 . . 1 . . . . 85 TYR H . 17880 1 656 . 1 1 86 86 TYR HB2 H 1 2.762 . . 2 . . . . 85 TYR HB2 . 17880 1 657 . 1 1 86 86 TYR CA C 13 58.826 . . 1 . . . . 85 TYR CA . 17880 1 658 . 1 1 86 86 TYR CB C 13 38.187 . . 1 . . . . 85 TYR CB . 17880 1 659 . 1 1 86 86 TYR N N 15 121.982 . . 1 . . . . 85 TYR N . 17880 1 660 . 1 1 87 87 GLN H H 1 8.129 . . 1 . . . . 86 GLN H . 17880 1 661 . 1 1 87 87 GLN HA H 1 3.952 . . 1 . . . . 86 GLN HA . 17880 1 662 . 1 1 87 87 GLN HB3 H 1 1.806 . . 2 . . . . 86 GLN HB3 . 17880 1 663 . 1 1 87 87 GLN HG2 H 1 2.094 . . 2 . . . . 86 GLN HG2 . 17880 1 664 . 1 1 87 87 GLN HG3 H 1 1.837 . . 2 . . . . 86 GLN HG3 . 17880 1 665 . 1 1 87 87 GLN CA C 13 58.803 . . 1 . . . . 86 GLN CA . 17880 1 666 . 1 1 87 87 GLN CB C 13 27.719 . . 1 . . . . 86 GLN CB . 17880 1 667 . 1 1 87 87 GLN CG C 13 34.545 . . 1 . . . . 86 GLN CG . 17880 1 668 . 1 1 87 87 GLN N N 15 124.207 . . 1 . . . . 86 GLN N . 17880 1 669 . 1 1 88 88 GLN H H 1 7.701 . . 1 . . . . 87 GLN H . 17880 1 670 . 1 1 88 88 GLN HA H 1 4.004 . . 1 . . . . 87 GLN HA . 17880 1 671 . 1 1 88 88 GLN HB2 H 1 1.893 . . 2 . . . . 87 GLN HB2 . 17880 1 672 . 1 1 88 88 GLN HG2 H 1 2.394 . . 2 . . . . 87 GLN HG2 . 17880 1 673 . 1 1 88 88 GLN HG3 H 1 2.230 . . 2 . . . . 87 GLN HG3 . 17880 1 674 . 1 1 88 88 GLN CA C 13 58.039 . . 1 . . . . 87 GLN CA . 17880 1 675 . 1 1 88 88 GLN CB C 13 28.341 . . 1 . . . . 87 GLN CB . 17880 1 676 . 1 1 88 88 GLN CG C 13 34.462 . . 1 . . . . 87 GLN CG . 17880 1 677 . 1 1 88 88 GLN N N 15 120.112 . . 1 . . . . 87 GLN N . 17880 1 678 . 1 1 89 89 LEU H H 1 7.394 . . 1 . . . . 88 LEU H . 17880 1 679 . 1 1 89 89 LEU HB2 H 1 1.568 . . 2 . . . . 88 LEU HB2 . 17880 1 680 . 1 1 89 89 LEU HD11 H 1 0.849 . . 2 . . . . 88 LEU HD11 . 17880 1 681 . 1 1 89 89 LEU HD12 H 1 0.849 . . 2 . . . . 88 LEU HD11 . 17880 1 682 . 1 1 89 89 LEU HD13 H 1 0.849 . . 2 . . . . 88 LEU HD11 . 17880 1 683 . 1 1 89 89 LEU CA C 13 55.466 . . 1 . . . . 88 LEU CA . 17880 1 684 . 1 1 89 89 LEU CB C 13 38.091 . . 1 . . . . 88 LEU CB . 17880 1 685 . 1 1 89 89 LEU CG C 13 27.368 . . 1 . . . . 88 LEU CG . 17880 1 686 . 1 1 89 89 LEU CD1 C 13 24.861 . . 2 . . . . 88 LEU CD1 . 17880 1 687 . 1 1 89 89 LEU N N 15 120.265 . . 1 . . . . 88 LEU N . 17880 1 688 . 1 1 90 90 GLU H H 1 8.067 . . 1 . . . . 89 GLU H . 17880 1 689 . 1 1 90 90 GLU HB2 H 1 2.095 . . 2 . . . . 89 GLU HB2 . 17880 1 690 . 1 1 90 90 GLU HG2 H 1 1.222 . . 2 . . . . 89 GLU HG2 . 17880 1 691 . 1 1 90 90 GLU HG3 H 1 0.869 . . 2 . . . . 89 GLU HG3 . 17880 1 692 . 1 1 90 90 GLU CA C 13 58.970 . . 1 . . . . 89 GLU CA . 17880 1 693 . 1 1 90 90 GLU CB C 13 28.961 . . 1 . . . . 89 GLU CB . 17880 1 694 . 1 1 90 90 GLU CG C 13 34.408 . . 1 . . . . 89 GLU CG . 17880 1 695 . 1 1 90 90 GLU N N 15 119.728 . . 1 . . . . 89 GLU N . 17880 1 696 . 1 1 91 91 SER H H 1 7.290 . . 1 . . . . 90 SER H . 17880 1 697 . 1 1 91 91 SER HA H 1 3.850 . . 1 . . . . 90 SER HA . 17880 1 698 . 1 1 91 91 SER CA C 13 61.428 . . 1 . . . . 90 SER CA . 17880 1 699 . 1 1 91 91 SER CB C 13 63.018 . . 1 . . . . 90 SER CB . 17880 1 700 . 1 1 91 91 SER N N 15 112.845 . . 1 . . . . 90 SER N . 17880 1 701 . 1 1 92 92 ILE H H 1 8.211 . . 1 . . . . 91 ILE H . 17880 1 702 . 1 1 92 92 ILE HA H 1 3.682 . . 1 . . . . 91 ILE HA . 17880 1 703 . 1 1 92 92 ILE HB H 1 1.915 . . 1 . . . . 91 ILE HB . 17880 1 704 . 1 1 92 92 ILE HD11 H 1 0.763 . . 1 . . . . 91 ILE HD11 . 17880 1 705 . 1 1 92 92 ILE HD12 H 1 0.763 . . 1 . . . . 91 ILE HD11 . 17880 1 706 . 1 1 92 92 ILE HD13 H 1 0.763 . . 1 . . . . 91 ILE HD11 . 17880 1 707 . 1 1 92 92 ILE CA C 13 65.021 . . 1 . . . . 91 ILE CA . 17880 1 708 . 1 1 92 92 ILE CD1 C 13 17.050 . . 1 . . . . 91 ILE CD1 . 17880 1 709 . 1 1 92 92 ILE N N 15 121.933 . . 1 . . . . 91 ILE N . 17880 1 710 . 1 1 93 93 TYR H H 1 8.656 . . 1 . . . . 92 TYR H . 17880 1 711 . 1 1 93 93 TYR HA H 1 3.608 . . 1 . . . . 92 TYR HA . 17880 1 712 . 1 1 93 93 TYR HB2 H 1 3.236 . . 2 . . . . 92 TYR HB2 . 17880 1 713 . 1 1 93 93 TYR HB3 H 1 2.776 . . 2 . . . . 92 TYR HB3 . 17880 1 714 . 1 1 93 93 TYR CA C 13 63.381 . . 1 . . . . 92 TYR CA . 17880 1 715 . 1 1 93 93 TYR CB C 13 39.528 . . 1 . . . . 92 TYR CB . 17880 1 716 . 1 1 93 93 TYR N N 15 121.166 . . 1 . . . . 92 TYR N . 17880 1 717 . 1 1 94 94 PHE H H 1 8.991 . . 1 . . . . 93 PHE H . 17880 1 718 . 1 1 94 94 PHE HA H 1 4.225 . . 1 . . . . 93 PHE HA . 17880 1 719 . 1 1 94 94 PHE HB2 H 1 3.134 . . 2 . . . . 93 PHE HB2 . 17880 1 720 . 1 1 94 94 PHE HB3 H 1 3.296 . . 2 . . . . 93 PHE HB3 . 17880 1 721 . 1 1 94 94 PHE CA C 13 61.749 . . 1 . . . . 93 PHE CA . 17880 1 722 . 1 1 94 94 PHE CB C 13 38.690 . . 1 . . . . 93 PHE CB . 17880 1 723 . 1 1 94 94 PHE N N 15 119.303 . . 1 . . . . 93 PHE N . 17880 1 724 . 1 1 95 95 ARG H H 1 7.942 . . 1 . . . . 94 ARG H . 17880 1 725 . 1 1 95 95 ARG HA H 1 4.123 . . 1 . . . . 94 ARG HA . 17880 1 726 . 1 1 95 95 ARG HB2 H 1 1.901 . . 2 . . . . 94 ARG HB2 . 17880 1 727 . 1 1 95 95 ARG HD2 H 1 3.186 . . 2 . . . . 94 ARG HD2 . 17880 1 728 . 1 1 95 95 ARG CA C 13 58.729 . . 1 . . . . 94 ARG CA . 17880 1 729 . 1 1 95 95 ARG CB C 13 31.456 . . 1 . . . . 94 ARG CB . 17880 1 730 . 1 1 95 95 ARG CD C 13 43.727 . . 1 . . . . 94 ARG CD . 17880 1 731 . 1 1 95 95 ARG N N 15 115.951 . . 1 . . . . 94 ARG N . 17880 1 732 . 1 1 96 96 ILE H H 1 8.162 . . 1 . . . . 95 ILE H . 17880 1 733 . 1 1 96 96 ILE HA H 1 4.002 . . 1 . . . . 95 ILE HA . 17880 1 734 . 1 1 96 96 ILE HB H 1 1.587 . . 1 . . . . 95 ILE HB . 17880 1 735 . 1 1 96 96 ILE HD11 H 1 0.754 . . 1 . . . . 95 ILE HD11 . 17880 1 736 . 1 1 96 96 ILE HD12 H 1 0.754 . . 1 . . . . 95 ILE HD11 . 17880 1 737 . 1 1 96 96 ILE HD13 H 1 0.754 . . 1 . . . . 95 ILE HD11 . 17880 1 738 . 1 1 96 96 ILE CA C 13 63.136 . . 1 . . . . 95 ILE CA . 17880 1 739 . 1 1 96 96 ILE CB C 13 39.877 . . 1 . . . . 95 ILE CB . 17880 1 740 . 1 1 96 96 ILE CG1 C 13 18.182 . . 1 . . . . 95 ILE CG1 . 17880 1 741 . 1 1 96 96 ILE N N 15 114.255 . . 1 . . . . 95 ILE N . 17880 1 742 . 1 1 97 97 LEU H H 1 7.636 . . 1 . . . . 96 LEU H . 17880 1 743 . 1 1 97 97 LEU CA C 13 55.358 . . 1 . . . . 96 LEU CA . 17880 1 744 . 1 1 97 97 LEU CB C 13 42.828 . . 1 . . . . 96 LEU CB . 17880 1 745 . 1 1 97 97 LEU N N 15 116.474 . . 1 . . . . 96 LEU N . 17880 1 746 . 1 1 98 98 LEU H H 1 8.341 . . 1 . . . . 97 LEU H . 17880 1 747 . 1 1 98 98 LEU CB C 13 40.466 . . 1 . . . . 97 LEU CB . 17880 1 748 . 1 1 98 98 LEU N N 15 123.072 . . 1 . . . . 97 LEU N . 17880 1 749 . 1 1 99 99 PRO HA H 1 4.266 . . 1 . . . . 98 PRO HA . 17880 1 750 . 1 1 99 99 PRO CA C 13 65.784 . . 1 . . . . 98 PRO CA . 17880 1 751 . 1 1 99 99 PRO CB C 13 30.601 . . 1 . . . . 98 PRO CB . 17880 1 752 . 1 1 100 100 TYR H H 1 6.766 . . 1 . . . . 99 TYR H . 17880 1 753 . 1 1 100 100 TYR HA H 1 4.081 . . 1 . . . . 99 TYR HA . 17880 1 754 . 1 1 100 100 TYR HB2 H 1 2.712 . . 2 . . . . 99 TYR HB2 . 17880 1 755 . 1 1 100 100 TYR CA C 13 61.338 . . 1 . . . . 99 TYR CA . 17880 1 756 . 1 1 100 100 TYR CB C 13 38.655 . . 1 . . . . 99 TYR CB . 17880 1 757 . 1 1 100 100 TYR N N 15 118.341 . . 1 . . . . 99 TYR N . 17880 1 758 . 1 1 101 101 GLU H H 1 9.032 . . 1 . . . . 100 GLU H . 17880 1 759 . 1 1 101 101 GLU HA H 1 4.265 . . 1 . . . . 100 GLU HA . 17880 1 760 . 1 1 101 101 GLU HB2 H 1 2.629 . . 2 . . . . 100 GLU HB2 . 17880 1 761 . 1 1 101 101 GLU CA C 13 59.661 . . 1 . . . . 100 GLU CA . 17880 1 762 . 1 1 101 101 GLU CB C 13 30.487 . . 1 . . . . 100 GLU CB . 17880 1 763 . 1 1 101 101 GLU CG C 13 36.597 . . 1 . . . . 100 GLU CG . 17880 1 764 . 1 1 101 101 GLU N N 15 121.690 . . 1 . . . . 100 GLU N . 17880 1 765 . 1 1 102 102 ARG H H 1 8.485 . . 1 . . . . 101 ARG H . 17880 1 766 . 1 1 102 102 ARG HA H 1 3.978 . . 1 . . . . 101 ARG HA . 17880 1 767 . 1 1 102 102 ARG HB2 H 1 2.150 . . 2 . . . . 101 ARG HB2 . 17880 1 768 . 1 1 102 102 ARG HB3 H 1 1.820 . . 2 . . . . 101 ARG HB3 . 17880 1 769 . 1 1 102 102 ARG HG2 H 1 1.329 . . 2 . . . . 101 ARG HG2 . 17880 1 770 . 1 1 102 102 ARG HG3 H 1 1.014 . . 2 . . . . 101 ARG HG3 . 17880 1 771 . 1 1 102 102 ARG HD2 H 1 3.153 . . 2 . . . . 101 ARG HD2 . 17880 1 772 . 1 1 102 102 ARG CA C 13 58.879 . . 1 . . . . 101 ARG CA . 17880 1 773 . 1 1 102 102 ARG CB C 13 29.629 . . 1 . . . . 101 ARG CB . 17880 1 774 . 1 1 102 102 ARG CG C 13 27.673 . . 1 . . . . 101 ARG CG . 17880 1 775 . 1 1 102 102 ARG CD C 13 43.107 . . 1 . . . . 101 ARG CD . 17880 1 776 . 1 1 102 102 ARG N N 15 115.465 . . 1 . . . . 101 ARG N . 17880 1 777 . 1 1 103 103 HIS H H 1 7.716 . . 1 . . . . 102 HIS H . 17880 1 778 . 1 1 103 103 HIS HA H 1 4.337 . . 1 . . . . 102 HIS HA . 17880 1 779 . 1 1 103 103 HIS HB2 H 1 3.122 . . 2 . . . . 102 HIS HB2 . 17880 1 780 . 1 1 103 103 HIS CA C 13 58.779 . . 1 . . . . 102 HIS CA . 17880 1 781 . 1 1 103 103 HIS CB C 13 30.112 . . 1 . . . . 102 HIS CB . 17880 1 782 . 1 1 103 103 HIS N N 15 119.857 . . 1 . . . . 102 HIS N . 17880 1 783 . 1 1 104 104 MET H H 1 8.311 . . 1 . . . . 103 MET H . 17880 1 784 . 1 1 104 104 MET CA C 13 56.527 . . 1 . . . . 103 MET CA . 17880 1 785 . 1 1 104 104 MET CB C 13 32.237 . . 1 . . . . 103 MET CB . 17880 1 786 . 1 1 104 104 MET N N 15 118.353 . . 1 . . . . 103 MET N . 17880 1 787 . 1 1 105 105 ILE H H 1 8.022 . . 1 . . . . 104 ILE H . 17880 1 788 . 1 1 105 105 ILE HA H 1 4.024 . . 1 . . . . 104 ILE HA . 17880 1 789 . 1 1 105 105 ILE HB H 1 1.956 . . 1 . . . . 104 ILE HB . 17880 1 790 . 1 1 105 105 ILE HG12 H 1 1.334 . . 2 . . . . 104 ILE HG12 . 17880 1 791 . 1 1 105 105 ILE HG21 H 1 1.625 . . 1 . . . . 104 ILE HG21 . 17880 1 792 . 1 1 105 105 ILE HG22 H 1 1.625 . . 1 . . . . 104 ILE HG21 . 17880 1 793 . 1 1 105 105 ILE HG23 H 1 1.625 . . 1 . . . . 104 ILE HG21 . 17880 1 794 . 1 1 105 105 ILE HD11 H 1 0.885 . . 1 . . . . 104 ILE HD11 . 17880 1 795 . 1 1 105 105 ILE HD12 H 1 0.885 . . 1 . . . . 104 ILE HD11 . 17880 1 796 . 1 1 105 105 ILE HD13 H 1 0.885 . . 1 . . . . 104 ILE HD11 . 17880 1 797 . 1 1 105 105 ILE CA C 13 59.440 . . 1 . . . . 104 ILE CA . 17880 1 798 . 1 1 105 105 ILE CB C 13 38.023 . . 1 . . . . 104 ILE CB . 17880 1 799 . 1 1 105 105 ILE CG1 C 13 28.342 . . 1 . . . . 104 ILE CG1 . 17880 1 800 . 1 1 105 105 ILE CG2 C 13 17.743 . . 1 . . . . 104 ILE CG2 . 17880 1 801 . 1 1 105 105 ILE CD1 C 13 13.551 . . 1 . . . . 104 ILE CD1 . 17880 1 802 . 1 1 105 105 ILE N N 15 119.042 . . 1 . . . . 104 ILE N . 17880 1 803 . 1 1 106 106 SER H H 1 7.743 . . 1 . . . . 105 SER H . 17880 1 804 . 1 1 106 106 SER CA C 13 59.654 . . 1 . . . . 105 SER CA . 17880 1 805 . 1 1 106 106 SER CB C 13 64.003 . . 1 . . . . 105 SER CB . 17880 1 806 . 1 1 106 106 SER N N 15 117.085 . . 1 . . . . 105 SER N . 17880 1 807 . 1 1 107 107 GLN H H 1 8.170 . . 1 . . . . 106 GLN H . 17880 1 808 . 1 1 107 107 GLN HA H 1 4.078 . . 1 . . . . 106 GLN HA . 17880 1 809 . 1 1 107 107 GLN HB2 H 1 2.037 . . 2 . . . . 106 GLN HB2 . 17880 1 810 . 1 1 107 107 GLN HB3 H 1 1.989 . . 2 . . . . 106 GLN HB3 . 17880 1 811 . 1 1 107 107 GLN HG2 H 1 2.192 . . 2 . . . . 106 GLN HG2 . 17880 1 812 . 1 1 107 107 GLN CA C 13 57.055 . . 1 . . . . 106 GLN CA . 17880 1 813 . 1 1 107 107 GLN CB C 13 28.846 . . 1 . . . . 106 GLN CB . 17880 1 814 . 1 1 107 107 GLN CG C 13 33.963 . . 1 . . . . 106 GLN CG . 17880 1 815 . 1 1 107 107 GLN N N 15 120.293 . . 1 . . . . 106 GLN N . 17880 1 816 . 1 1 108 108 GLU H H 1 8.140 . . 1 . . . . 107 GLU H . 17880 1 817 . 1 1 108 108 GLU HA H 1 4.105 . . 1 . . . . 107 GLU HA . 17880 1 818 . 1 1 108 108 GLU HB2 H 1 2.246 . . 2 . . . . 107 GLU HB2 . 17880 1 819 . 1 1 108 108 GLU HB3 H 1 2.007 . . 2 . . . . 107 GLU HB3 . 17880 1 820 . 1 1 108 108 GLU CA C 13 57.894 . . 1 . . . . 107 GLU CA . 17880 1 821 . 1 1 108 108 GLU CB C 13 29.604 . . 1 . . . . 107 GLU CB . 17880 1 822 . 1 1 108 108 GLU CG C 13 36.214 . . 1 . . . . 107 GLU CG . 17880 1 823 . 1 1 108 108 GLU N N 15 119.817 . . 1 . . . . 107 GLU N . 17880 1 824 . 1 1 109 109 GLY H H 1 8.088 . . 1 . . . . 108 GLY H . 17880 1 825 . 1 1 109 109 GLY HA2 H 1 3.847 . . 2 . . . . 108 GLY HA2 . 17880 1 826 . 1 1 109 109 GLY CA C 13 45.815 . . 1 . . . . 108 GLY CA . 17880 1 827 . 1 1 109 109 GLY N N 15 109.710 . . 1 . . . . 108 GLY N . 17880 1 828 . 1 1 110 110 ILE H H 1 7.933 . . 1 . . . . 109 ILE H . 17880 1 829 . 1 1 110 110 ILE HA H 1 3.956 . . 1 . . . . 109 ILE HA . 17880 1 830 . 1 1 110 110 ILE HB H 1 1.811 . . 1 . . . . 109 ILE HB . 17880 1 831 . 1 1 110 110 ILE HG12 H 1 1.126 . . 2 . . . . 109 ILE HG12 . 17880 1 832 . 1 1 110 110 ILE HG13 H 1 1.486 . . 2 . . . . 109 ILE HG13 . 17880 1 833 . 1 1 110 110 ILE HG21 H 1 0.840 . . 1 . . . . 109 ILE HG21 . 17880 1 834 . 1 1 110 110 ILE HG22 H 1 0.840 . . 1 . . . . 109 ILE HG21 . 17880 1 835 . 1 1 110 110 ILE HG23 H 1 0.840 . . 1 . . . . 109 ILE HG21 . 17880 1 836 . 1 1 110 110 ILE CA C 13 62.531 . . 1 . . . . 109 ILE CA . 17880 1 837 . 1 1 110 110 ILE CB C 13 38.231 . . 1 . . . . 109 ILE CB . 17880 1 838 . 1 1 110 110 ILE CG1 C 13 28.450 . . 1 . . . . 109 ILE CG1 . 17880 1 839 . 1 1 110 110 ILE CG2 C 13 17.497 . . 1 . . . . 109 ILE CG2 . 17880 1 840 . 1 1 110 110 ILE CD1 C 13 13.115 . . 1 . . . . 109 ILE CD1 . 17880 1 841 . 1 1 110 110 ILE N N 15 121.188 . . 1 . . . . 109 ILE N . 17880 1 842 . 1 1 111 111 LYS H H 1 8.181 . . 1 . . . . 110 LYS H . 17880 1 843 . 1 1 111 111 LYS HA H 1 4.167 . . 1 . . . . 110 LYS HA . 17880 1 844 . 1 1 111 111 LYS HB2 H 1 1.806 . . 2 . . . . 110 LYS HB2 . 17880 1 845 . 1 1 111 111 LYS HD2 H 1 1.443 . . 2 . . . . 110 LYS HD2 . 17880 1 846 . 1 1 111 111 LYS HD3 H 1 1.630 . . 2 . . . . 110 LYS HD3 . 17880 1 847 . 1 1 111 111 LYS HE2 H 1 2.921 . . 2 . . . . 110 LYS HE2 . 17880 1 848 . 1 1 111 111 LYS CA C 13 57.521 . . 1 . . . . 110 LYS CA . 17880 1 849 . 1 1 111 111 LYS CB C 13 32.642 . . 1 . . . . 110 LYS CB . 17880 1 850 . 1 1 111 111 LYS CG C 13 25.018 . . 1 . . . . 110 LYS CG . 17880 1 851 . 1 1 111 111 LYS CD C 13 29.124 . . 1 . . . . 110 LYS CD . 17880 1 852 . 1 1 111 111 LYS N N 15 123.214 . . 1 . . . . 110 LYS N . 17880 1 853 . 1 1 112 112 GLU H H 1 8.325 . . 1 . . . . 111 GLU H . 17880 1 854 . 1 1 112 112 GLU HA H 1 4.220 . . 1 . . . . 111 GLU HA . 17880 1 855 . 1 1 112 112 GLU HB2 H 1 2.262 . . 2 . . . . 111 GLU HB2 . 17880 1 856 . 1 1 112 112 GLU HB3 H 1 2.022 . . 2 . . . . 111 GLU HB3 . 17880 1 857 . 1 1 112 112 GLU CA C 13 57.617 . . 1 . . . . 111 GLU CA . 17880 1 858 . 1 1 112 112 GLU CB C 13 29.821 . . 1 . . . . 111 GLU CB . 17880 1 859 . 1 1 112 112 GLU CG C 13 36.330 . . 1 . . . . 111 GLU CG . 17880 1 860 . 1 1 112 112 GLU N N 15 121.270 . . 1 . . . . 111 GLU N . 17880 1 861 . 1 1 113 113 THR H H 1 8.181 . . 1 . . . . 112 THR H . 17880 1 862 . 1 1 113 113 THR HB H 1 4.185 . . 1 . . . . 112 THR HB . 17880 1 863 . 1 1 113 113 THR HG21 H 1 1.164 . . 1 . . . . 112 THR HG21 . 17880 1 864 . 1 1 113 113 THR HG22 H 1 1.164 . . 1 . . . . 112 THR HG21 . 17880 1 865 . 1 1 113 113 THR HG23 H 1 1.164 . . 1 . . . . 112 THR HG21 . 17880 1 866 . 1 1 113 113 THR CA C 13 63.525 . . 1 . . . . 112 THR CA . 17880 1 867 . 1 1 113 113 THR CB C 13 69.431 . . 1 . . . . 112 THR CB . 17880 1 868 . 1 1 113 113 THR CG2 C 13 21.827 . . 1 . . . . 112 THR CG2 . 17880 1 869 . 1 1 113 113 THR N N 15 115.616 . . 1 . . . . 112 THR N . 17880 1 870 . 1 1 114 114 GLN H H 1 8.302 . . 1 . . . . 113 GLN H . 17880 1 871 . 1 1 114 114 GLN HA H 1 4.163 . . 1 . . . . 113 GLN HA . 17880 1 872 . 1 1 114 114 GLN HB2 H 1 2.034 . . 2 . . . . 113 GLN HB2 . 17880 1 873 . 1 1 114 114 GLN HB3 H 1 2.233 . . 2 . . . . 113 GLN HB3 . 17880 1 874 . 1 1 114 114 GLN HG2 H 1 2.332 . . 2 . . . . 113 GLN HG2 . 17880 1 875 . 1 1 114 114 GLN CA C 13 56.902 . . 1 . . . . 113 GLN CA . 17880 1 876 . 1 1 114 114 GLN CB C 13 28.798 . . 1 . . . . 113 GLN CB . 17880 1 877 . 1 1 114 114 GLN CG C 13 33.875 . . 1 . . . . 113 GLN CG . 17880 1 878 . 1 1 114 114 GLN N N 15 121.848 . . 1 . . . . 113 GLN N . 17880 1 879 . 1 1 115 115 ALA H H 1 8.161 . . 1 . . . . 114 ALA H . 17880 1 880 . 1 1 115 115 ALA HA H 1 4.200 . . 1 . . . . 114 ALA HA . 17880 1 881 . 1 1 115 115 ALA HB1 H 1 1.386 . . 1 . . . . 114 ALA HB1 . 17880 1 882 . 1 1 115 115 ALA HB2 H 1 1.386 . . 1 . . . . 114 ALA HB1 . 17880 1 883 . 1 1 115 115 ALA HB3 H 1 1.386 . . 1 . . . . 114 ALA HB1 . 17880 1 884 . 1 1 115 115 ALA CA C 13 53.322 . . 1 . . . . 114 ALA CA . 17880 1 885 . 1 1 115 115 ALA CB C 13 18.732 . . 1 . . . . 114 ALA CB . 17880 1 886 . 1 1 115 115 ALA N N 15 123.401 . . 1 . . . . 114 ALA N . 17880 1 887 . 1 1 116 116 LYS H H 1 8.062 . . 1 . . . . 115 LYS H . 17880 1 888 . 1 1 116 116 LYS HA H 1 4.330 . . 1 . . . . 115 LYS HA . 17880 1 889 . 1 1 116 116 LYS HB2 H 1 1.633 . . 2 . . . . 115 LYS HB2 . 17880 1 890 . 1 1 116 116 LYS HB3 H 1 1.705 . . 2 . . . . 115 LYS HB3 . 17880 1 891 . 1 1 116 116 LYS HG2 H 1 1.433 . . 2 . . . . 115 LYS HG2 . 17880 1 892 . 1 1 116 116 LYS CA C 13 56.688 . . 1 . . . . 115 LYS CA . 17880 1 893 . 1 1 116 116 LYS CB C 13 32.849 . . 1 . . . . 115 LYS CB . 17880 1 894 . 1 1 116 116 LYS CG C 13 25.815 . . 1 . . . . 115 LYS CG . 17880 1 895 . 1 1 116 116 LYS N N 15 119.441 . . 1 . . . . 115 LYS N . 17880 1 896 . 1 1 117 117 ARG H H 1 8.328 . . 1 . . . . 116 ARG H . 17880 1 897 . 1 1 117 117 ARG CA C 13 59.526 . . 1 . . . . 116 ARG CA . 17880 1 898 . 1 1 117 117 ARG N N 15 123.509 . . 1 . . . . 116 ARG N . 17880 1 stop_ save_