data_5748 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5748 _Entry.Title ; Assignment of 1H, 13C, and 15N Resonances of the ARID Domain of P270 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-19 _Entry.Accession_date 2003-03-19 _Entry.Last_release_date 2003-09-05 _Entry.Original_release_date 2003-09-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Suhkmann Kim . . . 5748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 5748 '15N chemical shifts' 113 5748 '1H chemical shifts' 823 5748 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-09-05 2003-03-19 original author . 5748 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1RYU 'BMRB Entry Tracking System' 5748 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5748 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Letter to the Editor: Assignment of 1H, 13C, and 15N Resonances of the ARID Domain of P270' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 3 _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 277 _Citation.Page_last 278 _Citation.Year 2003 _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 Suhkmann Kim . . . 5748 1 2 Lingyang Zhu . . . 5748 1 3 Bin Yu . . . 5748 1 4 Yuan Chen . . . 5748 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p270 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p270 _Assembly.Entry_ID 5748 _Assembly.ID 1 _Assembly.Name 'p270 or Human SWI1' _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5748 1 stop_ 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 'p270, DNA-binding domain ARID' 1 $ARID . . . native . . . . . 5748 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID p270 abbreviation 5748 1 'p270 or Human SWI1' system 5748 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA-binding protein' 5748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARID _Entity.Sf_category entity _Entity.Sf_framecode ARID _Entity.Entry_ID 5748 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SWI1 _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 ; SSTTTNEKITKLYELGGEPE RKMWVDRYLAFTEEKAMGMT NLPAVGRKPLDLYRLYVSVK EIGGLTQVNKNKKWRELATN LNVGTSSSAASSLKKQYIQC LYAFECKIERGEDPPPDIFA HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 2015-01-28 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 1RYU . "Solution Structure Of The Swi1 Arid" . . . . . 95.24 120 100.00 100.00 4.50e-83 . . . . 5748 1 2 no DBJ BAA23269 . "B120 [Homo sapiens]" . . . . . 95.24 1142 99.17 99.17 7.41e-70 . . . . 5748 1 3 no DBJ BAA83073 . "B120 [Homo sapiens]" . . . . . 95.24 1119 100.00 100.00 8.51e-71 . . . . 5748 1 4 no DBJ BAB55599 . "SWI related protein [Homo sapiens]" . . . . . 95.24 1208 100.00 100.00 3.17e-70 . . . . 5748 1 5 no DBJ BAE06104 . "ARID1A variant protein [Homo sapiens]" . . . . . 95.24 1374 100.00 100.00 2.43e-70 . . . . 5748 1 6 no DBJ BAG10234 . "AT-rich interactive domain-containing protein 1A [synthetic construct]" . . . . . 95.24 1359 100.00 100.00 2.26e-70 . . . . 5748 1 7 no GB AAF75765 . "SWI-SNF complex protein p270 [Homo sapiens]" . . . . . 95.24 1927 100.00 100.00 7.14e-71 . . . . 5748 1 8 no GB AAG17549 . "chromatin remodelling factor p250 [Homo sapiens]" . . . . . 95.24 1939 99.17 99.17 5.22e-70 . . . . 5748 1 9 no GB AAG33967 . "BRG1-Associated Factor 250a [Homo sapiens]" . . . . . 95.24 2285 99.17 99.17 4.48e-70 . . . . 5748 1 10 no GB AAH82554 . "AT rich interactive domain 1A (SWI-like) [Mus musculus]" . . . . . 95.24 1902 100.00 100.00 7.00e-71 . . . . 5748 1 11 no GB AAK54504 . "Osa1 nuclear protein [Mus musculus]" . . . . . 95.24 1902 99.17 100.00 1.52e-70 . . . . 5748 1 12 no REF NP_001074288 . "AT-rich interactive domain-containing protein 1A [Mus musculus]" . . . . . 95.24 2283 100.00 100.00 5.64e-71 . . . . 5748 1 13 no REF NP_001100105 . "AT-rich interactive domain-containing protein 1A [Rattus norvegicus]" . . . . . 95.24 1911 100.00 100.00 7.77e-71 . . . . 5748 1 14 no REF NP_001192714 . "AT-rich interactive domain-containing protein 1A [Bos taurus]" . . . . . 95.24 2286 100.00 100.00 4.83e-71 . . . . 5748 1 15 no REF NP_006006 . "AT-rich interactive domain-containing protein 1A isoform a [Homo sapiens]" . . . . . 95.24 2285 100.00 100.00 5.64e-71 . . . . 5748 1 16 no REF NP_624361 . "AT-rich interactive domain-containing protein 1A isoform b [Homo sapiens]" . . . . . 95.24 2068 100.00 100.00 2.60e-71 . . . . 5748 1 17 no SP A2BH40 . "RecName: Full=AT-rich interactive domain-containing protein 1A; Short=ARID domain-containing protein 1A; AltName: Full=BRG1-ass" . . . . . 95.24 2283 100.00 100.00 5.64e-71 . . . . 5748 1 18 no SP O14497 . "RecName: Full=AT-rich interactive domain-containing protein 1A; Short=ARID domain-containing protein 1A; AltName: Full=B120; Al" . . . . . 95.24 2285 100.00 100.00 5.64e-71 . . . . 5748 1 19 no TPG DAA32224 . "TPA: AT rich interactive domain 1A-like [Bos taurus]" . . . . . 95.24 2092 100.00 100.00 6.20e-71 . . . . 5748 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ARID abbreviation 5748 1 SWI1 common 5748 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 . SER . 5748 1 2 . SER . 5748 1 3 . THR . 5748 1 4 . THR . 5748 1 5 . THR . 5748 1 6 . ASN . 5748 1 7 . GLU . 5748 1 8 . LYS . 5748 1 9 . ILE . 5748 1 10 . THR . 5748 1 11 . LYS . 5748 1 12 . LEU . 5748 1 13 . TYR . 5748 1 14 . GLU . 5748 1 15 . LEU . 5748 1 16 . GLY . 5748 1 17 . GLY . 5748 1 18 . GLU . 5748 1 19 . PRO . 5748 1 20 . GLU . 5748 1 21 . ARG . 5748 1 22 . LYS . 5748 1 23 . MET . 5748 1 24 . TRP . 5748 1 25 . VAL . 5748 1 26 . ASP . 5748 1 27 . ARG . 5748 1 28 . TYR . 5748 1 29 . LEU . 5748 1 30 . ALA . 5748 1 31 . PHE . 5748 1 32 . THR . 5748 1 33 . GLU . 5748 1 34 . GLU . 5748 1 35 . LYS . 5748 1 36 . ALA . 5748 1 37 . MET . 5748 1 38 . GLY . 5748 1 39 . MET . 5748 1 40 . THR . 5748 1 41 . ASN . 5748 1 42 . LEU . 5748 1 43 . PRO . 5748 1 44 . ALA . 5748 1 45 . VAL . 5748 1 46 . GLY . 5748 1 47 . ARG . 5748 1 48 . LYS . 5748 1 49 . PRO . 5748 1 50 . LEU . 5748 1 51 . ASP . 5748 1 52 . LEU . 5748 1 53 . TYR . 5748 1 54 . ARG . 5748 1 55 . LEU . 5748 1 56 . TYR . 5748 1 57 . VAL . 5748 1 58 . SER . 5748 1 59 . VAL . 5748 1 60 . LYS . 5748 1 61 . GLU . 5748 1 62 . ILE . 5748 1 63 . GLY . 5748 1 64 . GLY . 5748 1 65 . LEU . 5748 1 66 . THR . 5748 1 67 . GLN . 5748 1 68 . VAL . 5748 1 69 . ASN . 5748 1 70 . LYS . 5748 1 71 . ASN . 5748 1 72 . LYS . 5748 1 73 . LYS . 5748 1 74 . TRP . 5748 1 75 . ARG . 5748 1 76 . GLU . 5748 1 77 . LEU . 5748 1 78 . ALA . 5748 1 79 . THR . 5748 1 80 . ASN . 5748 1 81 . LEU . 5748 1 82 . ASN . 5748 1 83 . VAL . 5748 1 84 . GLY . 5748 1 85 . THR . 5748 1 86 . SER . 5748 1 87 . SER . 5748 1 88 . SER . 5748 1 89 . ALA . 5748 1 90 . ALA . 5748 1 91 . SER . 5748 1 92 . SER . 5748 1 93 . LEU . 5748 1 94 . LYS . 5748 1 95 . LYS . 5748 1 96 . GLN . 5748 1 97 . TYR . 5748 1 98 . ILE . 5748 1 99 . GLN . 5748 1 100 . CYS . 5748 1 101 . LEU . 5748 1 102 . TYR . 5748 1 103 . ALA . 5748 1 104 . PHE . 5748 1 105 . GLU . 5748 1 106 . CYS . 5748 1 107 . LYS . 5748 1 108 . ILE . 5748 1 109 . GLU . 5748 1 110 . ARG . 5748 1 111 . GLY . 5748 1 112 . GLU . 5748 1 113 . ASP . 5748 1 114 . PRO . 5748 1 115 . PRO . 5748 1 116 . PRO . 5748 1 117 . ASP . 5748 1 118 . ILE . 5748 1 119 . PHE . 5748 1 120 . ALA . 5748 1 121 . HIS . 5748 1 122 . HIS . 5748 1 123 . HIS . 5748 1 124 . HIS . 5748 1 125 . HIS . 5748 1 126 . HIS . 5748 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 . SER 1 1 5748 1 . SER 2 2 5748 1 . THR 3 3 5748 1 . THR 4 4 5748 1 . THR 5 5 5748 1 . ASN 6 6 5748 1 . GLU 7 7 5748 1 . LYS 8 8 5748 1 . ILE 9 9 5748 1 . THR 10 10 5748 1 . LYS 11 11 5748 1 . LEU 12 12 5748 1 . TYR 13 13 5748 1 . GLU 14 14 5748 1 . LEU 15 15 5748 1 . GLY 16 16 5748 1 . GLY 17 17 5748 1 . GLU 18 18 5748 1 . PRO 19 19 5748 1 . GLU 20 20 5748 1 . ARG 21 21 5748 1 . LYS 22 22 5748 1 . MET 23 23 5748 1 . TRP 24 24 5748 1 . VAL 25 25 5748 1 . ASP 26 26 5748 1 . ARG 27 27 5748 1 . TYR 28 28 5748 1 . LEU 29 29 5748 1 . ALA 30 30 5748 1 . PHE 31 31 5748 1 . THR 32 32 5748 1 . GLU 33 33 5748 1 . GLU 34 34 5748 1 . LYS 35 35 5748 1 . ALA 36 36 5748 1 . MET 37 37 5748 1 . GLY 38 38 5748 1 . MET 39 39 5748 1 . THR 40 40 5748 1 . ASN 41 41 5748 1 . LEU 42 42 5748 1 . PRO 43 43 5748 1 . ALA 44 44 5748 1 . VAL 45 45 5748 1 . GLY 46 46 5748 1 . ARG 47 47 5748 1 . LYS 48 48 5748 1 . PRO 49 49 5748 1 . LEU 50 50 5748 1 . ASP 51 51 5748 1 . LEU 52 52 5748 1 . TYR 53 53 5748 1 . ARG 54 54 5748 1 . LEU 55 55 5748 1 . TYR 56 56 5748 1 . VAL 57 57 5748 1 . SER 58 58 5748 1 . VAL 59 59 5748 1 . LYS 60 60 5748 1 . GLU 61 61 5748 1 . ILE 62 62 5748 1 . GLY 63 63 5748 1 . GLY 64 64 5748 1 . LEU 65 65 5748 1 . THR 66 66 5748 1 . GLN 67 67 5748 1 . VAL 68 68 5748 1 . ASN 69 69 5748 1 . LYS 70 70 5748 1 . ASN 71 71 5748 1 . LYS 72 72 5748 1 . LYS 73 73 5748 1 . TRP 74 74 5748 1 . ARG 75 75 5748 1 . GLU 76 76 5748 1 . LEU 77 77 5748 1 . ALA 78 78 5748 1 . THR 79 79 5748 1 . ASN 80 80 5748 1 . LEU 81 81 5748 1 . ASN 82 82 5748 1 . VAL 83 83 5748 1 . GLY 84 84 5748 1 . THR 85 85 5748 1 . SER 86 86 5748 1 . SER 87 87 5748 1 . SER 88 88 5748 1 . ALA 89 89 5748 1 . ALA 90 90 5748 1 . SER 91 91 5748 1 . SER 92 92 5748 1 . LEU 93 93 5748 1 . LYS 94 94 5748 1 . LYS 95 95 5748 1 . GLN 96 96 5748 1 . TYR 97 97 5748 1 . ILE 98 98 5748 1 . GLN 99 99 5748 1 . CYS 100 100 5748 1 . LEU 101 101 5748 1 . TYR 102 102 5748 1 . ALA 103 103 5748 1 . PHE 104 104 5748 1 . GLU 105 105 5748 1 . CYS 106 106 5748 1 . LYS 107 107 5748 1 . ILE 108 108 5748 1 . GLU 109 109 5748 1 . ARG 110 110 5748 1 . GLY 111 111 5748 1 . GLU 112 112 5748 1 . ASP 113 113 5748 1 . PRO 114 114 5748 1 . PRO 115 115 5748 1 . PRO 116 116 5748 1 . ASP 117 117 5748 1 . ILE 118 118 5748 1 . PHE 119 119 5748 1 . ALA 120 120 5748 1 . HIS 121 121 5748 1 . HIS 122 122 5748 1 . HIS 123 123 5748 1 . HIS 124 124 5748 1 . HIS 125 125 5748 1 . HIS 126 126 5748 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 5748 _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 $ARID . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5748 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 5748 _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 $ARID . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5748 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 SWI1 . . . 1 $ARID . . . 0.5 1.0 mM . . . . 5748 1 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond_1 _Sample_condition_list.Entry_ID 5748 _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 pH 6.0 0.2 n/a 5748 1 temperature 293 0.5 K 5748 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5748 _Software.ID 1 _Software.Name FELIX _Software.Version 98 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'FT NMR spectrum' 5748 1 'peak picking' 5748 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 5748 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5748 _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 unknown unknown . 0 'spectrometer information not available' . . 5748 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 5748 _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 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 2 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 4 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 5 15N-edited . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 6 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 7 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5748 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5748 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5748 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5748 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5748 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5748 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5748 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 SER CA C 13 58.550 0.5 . 1 . . . . . . . . 5748 1 2 . 1 1 2 2 SER HA H 1 4.540 0.02 . 1 . . . . . . . . 5748 1 3 . 1 1 2 2 SER CB C 13 63.560 0.5 . 1 . . . . . . . . 5748 1 4 . 1 1 2 2 SER HB3 H 1 3.880 0.02 . 1 . . . . . . . . 5748 1 5 . 1 1 2 2 SER HB2 H 1 3.880 0.02 . 1 . . . . . . . . 5748 1 6 . 1 1 3 3 THR N N 15 113.920 0.5 . 1 . . . . . . . . 5748 1 7 . 1 1 3 3 THR H H 1 8.240 0.02 . 1 . . . . . . . . 5748 1 8 . 1 1 3 3 THR CA C 13 61.700 0.5 . 1 . . . . . . . . 5748 1 9 . 1 1 3 3 THR HA H 1 4.470 0.02 . 1 . . . . . . . . 5748 1 10 . 1 1 3 3 THR CB C 13 69.360 0.5 . 1 . . . . . . . . 5748 1 11 . 1 1 3 3 THR HB H 1 4.310 0.02 . 1 . . . . . . . . 5748 1 12 . 1 1 3 3 THR CG2 C 13 21.440 0.5 . 1 . . . . . . . . 5748 1 13 . 1 1 3 3 THR HG21 H 1 1.160 0.02 . 1 . . . . . . . . 5748 1 14 . 1 1 3 3 THR HG22 H 1 1.160 0.02 . 1 . . . . . . . . 5748 1 15 . 1 1 3 3 THR HG23 H 1 1.160 0.02 . 1 . . . . . . . . 5748 1 16 . 1 1 4 4 THR N N 15 115.570 0.5 . 1 . . . . . . . . 5748 1 17 . 1 1 4 4 THR H H 1 8.010 0.02 . 1 . . . . . . . . 5748 1 18 . 1 1 4 4 THR CA C 13 61.330 0.5 . 1 . . . . . . . . 5748 1 19 . 1 1 4 4 THR HA H 1 4.600 0.02 . 1 . . . . . . . . 5748 1 20 . 1 1 4 4 THR CB C 13 70.710 0.5 . 1 . . . . . . . . 5748 1 21 . 1 1 4 4 THR HB H 1 4.170 0.02 . 1 . . . . . . . . 5748 1 22 . 1 1 4 4 THR CG2 C 13 21.140 0.5 . 1 . . . . . . . . 5748 1 23 . 1 1 4 4 THR HG21 H 1 1.140 0.02 . 1 . . . . . . . . 5748 1 24 . 1 1 4 4 THR HG22 H 1 1.140 0.02 . 1 . . . . . . . . 5748 1 25 . 1 1 4 4 THR HG23 H 1 1.140 0.02 . 1 . . . . . . . . 5748 1 26 . 1 1 5 5 THR N N 15 113.030 0.5 . 1 . . . . . . . . 5748 1 27 . 1 1 5 5 THR H H 1 8.140 0.02 . 1 . . . . . . . . 5748 1 28 . 1 1 5 5 THR CA C 13 61.350 0.5 . 1 . . . . . . . . 5748 1 29 . 1 1 5 5 THR HA H 1 4.500 0.02 . 1 . . . . . . . . 5748 1 30 . 1 1 5 5 THR CB C 13 70.520 0.5 . 1 . . . . . . . . 5748 1 31 . 1 1 5 5 THR HB H 1 4.320 0.02 . 1 . . . . . . . . 5748 1 32 . 1 1 5 5 THR CG2 C 13 21.680 0.5 . 1 . . . . . . . . 5748 1 33 . 1 1 5 5 THR HG21 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 34 . 1 1 5 5 THR HG22 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 35 . 1 1 5 5 THR HG23 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 36 . 1 1 6 6 ASN N N 15 117.530 0.5 . 1 . . . . . . . . 5748 1 37 . 1 1 6 6 ASN H H 1 8.470 0.02 . 1 . . . . . . . . 5748 1 38 . 1 1 6 6 ASN CA C 13 53.020 0.5 . 1 . . . . . . . . 5748 1 39 . 1 1 6 6 ASN HA H 1 4.710 0.02 . 1 . . . . . . . . 5748 1 40 . 1 1 6 6 ASN CB C 13 38.980 0.5 . 1 . . . . . . . . 5748 1 41 . 1 1 6 6 ASN HB3 H 1 2.660 0.02 . 1 . . . . . . . . 5748 1 42 . 1 1 6 6 ASN HB2 H 1 2.820 0.02 . 1 . . . . . . . . 5748 1 43 . 1 1 7 7 GLU N N 15 119.790 0.5 . 1 . . . . . . . . 5748 1 44 . 1 1 7 7 GLU H H 1 8.380 0.02 . 1 . . . . . . . . 5748 1 45 . 1 1 7 7 GLU CA C 13 55.130 0.5 . 1 . . . . . . . . 5748 1 46 . 1 1 7 7 GLU HA H 1 4.460 0.02 . 1 . . . . . . . . 5748 1 47 . 1 1 7 7 GLU CB C 13 30.800 0.5 . 1 . . . . . . . . 5748 1 48 . 1 1 7 7 GLU HB3 H 1 1.820 0.02 . 1 . . . . . . . . 5748 1 49 . 1 1 7 7 GLU HB2 H 1 2.040 0.02 . 1 . . . . . . . . 5748 1 50 . 1 1 7 7 GLU CG C 13 35.410 0.5 . 1 . . . . . . . . 5748 1 51 . 1 1 7 7 GLU HG3 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 52 . 1 1 7 7 GLU HG2 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 53 . 1 1 8 8 LYS N N 15 122.530 0.5 . 1 . . . . . . . . 5748 1 54 . 1 1 8 8 LYS H H 1 8.980 0.02 . 1 . . . . . . . . 5748 1 55 . 1 1 8 8 LYS CA C 13 56.660 0.5 . 1 . . . . . . . . 5748 1 56 . 1 1 8 8 LYS HA H 1 4.530 0.02 . 1 . . . . . . . . 5748 1 57 . 1 1 8 8 LYS CB C 13 34.000 0.5 . 1 . . . . . . . . 5748 1 58 . 1 1 8 8 LYS HB3 H 1 1.820 0.02 . 1 . . . . . . . . 5748 1 59 . 1 1 8 8 LYS HB2 H 1 2.040 0.02 . 1 . . . . . . . . 5748 1 60 . 1 1 8 8 LYS CG C 13 25.390 0.5 . 1 . . . . . . . . 5748 1 61 . 1 1 8 8 LYS HG3 H 1 1.560 0.02 . 1 . . . . . . . . 5748 1 62 . 1 1 8 8 LYS HG2 H 1 1.660 0.02 . 1 . . . . . . . . 5748 1 63 . 1 1 8 8 LYS CD C 13 28.800 0.5 . 1 . . . . . . . . 5748 1 64 . 1 1 8 8 LYS HD3 H 1 1.710 0.02 . 1 . . . . . . . . 5748 1 65 . 1 1 8 8 LYS HD2 H 1 1.710 0.02 . 1 . . . . . . . . 5748 1 66 . 1 1 8 8 LYS CE C 13 42.040 0.5 . 1 . . . . . . . . 5748 1 67 . 1 1 8 8 LYS HE3 H 1 3.010 0.02 . 1 . . . . . . . . 5748 1 68 . 1 1 8 8 LYS HE2 H 1 3.010 0.02 . 1 . . . . . . . . 5748 1 69 . 1 1 9 9 ILE N N 15 120.670 0.5 . 1 . . . . . . . . 5748 1 70 . 1 1 9 9 ILE H H 1 8.240 0.02 . 1 . . . . . . . . 5748 1 71 . 1 1 9 9 ILE CA C 13 61.740 0.5 . 1 . . . . . . . . 5748 1 72 . 1 1 9 9 ILE HA H 1 3.950 0.02 . 1 . . . . . . . . 5748 1 73 . 1 1 9 9 ILE CB C 13 39.270 0.5 . 1 . . . . . . . . 5748 1 74 . 1 1 9 9 ILE HB H 1 1.360 0.02 . 1 . . . . . . . . 5748 1 75 . 1 1 9 9 ILE CG1 C 13 29.500 0.5 . 1 . . . . . . . . 5748 1 76 . 1 1 9 9 ILE HG12 H 1 1.450 0.02 . 2 . . . . . . . . 5748 1 77 . 1 1 9 9 ILE CD1 C 13 14.870 0.5 . 1 . . . . . . . . 5748 1 78 . 1 1 9 9 ILE HD11 H 1 1.020 0.02 . 1 . . . . . . . . 5748 1 79 . 1 1 9 9 ILE HD12 H 1 1.020 0.02 . 1 . . . . . . . . 5748 1 80 . 1 1 9 9 ILE HD13 H 1 1.020 0.02 . 1 . . . . . . . . 5748 1 81 . 1 1 9 9 ILE CG2 C 13 17.760 0.5 . 1 . . . . . . . . 5748 1 82 . 1 1 9 9 ILE HG21 H 1 0.980 0.02 . 1 . . . . . . . . 5748 1 83 . 1 1 9 9 ILE HG22 H 1 0.980 0.02 . 1 . . . . . . . . 5748 1 84 . 1 1 9 9 ILE HG23 H 1 0.980 0.02 . 1 . . . . . . . . 5748 1 85 . 1 1 10 10 THR N N 15 108.310 0.5 . 1 . . . . . . . . 5748 1 86 . 1 1 10 10 THR H H 1 7.040 0.02 . 1 . . . . . . . . 5748 1 87 . 1 1 10 10 THR CA C 13 63.580 0.5 . 1 . . . . . . . . 5748 1 88 . 1 1 10 10 THR HA H 1 3.910 0.02 . 1 . . . . . . . . 5748 1 89 . 1 1 10 10 THR CB C 13 67.810 0.5 . 1 . . . . . . . . 5748 1 90 . 1 1 10 10 THR HB H 1 4.660 0.02 . 1 . . . . . . . . 5748 1 91 . 1 1 10 10 THR CG2 C 13 23.530 0.5 . 1 . . . . . . . . 5748 1 92 . 1 1 10 10 THR HG21 H 1 1.410 0.02 . 1 . . . . . . . . 5748 1 93 . 1 1 10 10 THR HG22 H 1 1.410 0.02 . 1 . . . . . . . . 5748 1 94 . 1 1 10 10 THR HG23 H 1 1.410 0.02 . 1 . . . . . . . . 5748 1 95 . 1 1 11 11 LYS N N 15 125.340 0.5 . 1 . . . . . . . . 5748 1 96 . 1 1 11 11 LYS H H 1 8.470 0.02 . 1 . . . . . . . . 5748 1 97 . 1 1 11 11 LYS CA C 13 57.460 0.5 . 1 . . . . . . . . 5748 1 98 . 1 1 11 11 LYS HA H 1 4.230 0.02 . 1 . . . . . . . . 5748 1 99 . 1 1 11 11 LYS CB C 13 32.390 0.5 . 1 . . . . . . . . 5748 1 100 . 1 1 11 11 LYS HB3 H 1 2.140 0.02 . 1 . . . . . . . . 5748 1 101 . 1 1 11 11 LYS HB2 H 1 2.140 0.02 . 1 . . . . . . . . 5748 1 102 . 1 1 11 11 LYS CG C 13 24.880 0.5 . 1 . . . . . . . . 5748 1 103 . 1 1 11 11 LYS HG3 H 1 1.550 0.02 . 1 . . . . . . . . 5748 1 104 . 1 1 11 11 LYS HG2 H 1 1.550 0.02 . 1 . . . . . . . . 5748 1 105 . 1 1 11 11 LYS CD C 13 28.810 0.5 . 1 . . . . . . . . 5748 1 106 . 1 1 11 11 LYS HD3 H 1 1.840 0.02 . 1 . . . . . . . . 5748 1 107 . 1 1 11 11 LYS HD2 H 1 1.840 0.02 . 1 . . . . . . . . 5748 1 108 . 1 1 11 11 LYS CE C 13 41.920 0.5 . 1 . . . . . . . . 5748 1 109 . 1 1 11 11 LYS HE3 H 1 2.860 0.02 . 1 . . . . . . . . 5748 1 110 . 1 1 11 11 LYS HE2 H 1 2.860 0.02 . 1 . . . . . . . . 5748 1 111 . 1 1 12 12 LEU N N 15 116.280 0.5 . 1 . . . . . . . . 5748 1 112 . 1 1 12 12 LEU H H 1 8.170 0.02 . 1 . . . . . . . . 5748 1 113 . 1 1 12 12 LEU CA C 13 58.010 0.5 . 1 . . . . . . . . 5748 1 114 . 1 1 12 12 LEU HA H 1 3.890 0.02 . 1 . . . . . . . . 5748 1 115 . 1 1 12 12 LEU CB C 13 44.800 0.5 . 1 . . . . . . . . 5748 1 116 . 1 1 12 12 LEU HB3 H 1 1.740 0.02 . 1 . . . . . . . . 5748 1 117 . 1 1 12 12 LEU HB2 H 1 1.410 0.02 . 1 . . . . . . . . 5748 1 118 . 1 1 12 12 LEU CG C 13 26.140 0.5 . 1 . . . . . . . . 5748 1 119 . 1 1 12 12 LEU HG H 1 2.210 0.02 . 1 . . . . . . . . 5748 1 120 . 1 1 12 12 LEU CD1 C 13 26.600 0.5 . 1 . . . . . . . . 5748 1 121 . 1 1 12 12 LEU HD11 H 1 1.120 0.02 . 1 . . . . . . . . 5748 1 122 . 1 1 12 12 LEU HD12 H 1 1.120 0.02 . 1 . . . . . . . . 5748 1 123 . 1 1 12 12 LEU HD13 H 1 1.120 0.02 . 1 . . . . . . . . 5748 1 124 . 1 1 12 12 LEU CD2 C 13 25.800 0.5 . 1 . . . . . . . . 5748 1 125 . 1 1 12 12 LEU HD21 H 1 1.120 0.02 . 1 . . . . . . . . 5748 1 126 . 1 1 12 12 LEU HD22 H 1 1.120 0.02 . 1 . . . . . . . . 5748 1 127 . 1 1 12 12 LEU HD23 H 1 1.120 0.02 . 1 . . . . . . . . 5748 1 128 . 1 1 13 13 TYR N N 15 113.080 0.5 . 1 . . . . . . . . 5748 1 129 . 1 1 13 13 TYR H H 1 7.480 0.02 . 1 . . . . . . . . 5748 1 130 . 1 1 13 13 TYR CA C 13 62.770 0.5 . 1 . . . . . . . . 5748 1 131 . 1 1 13 13 TYR HA H 1 4.010 0.02 . 1 . . . . . . . . 5748 1 132 . 1 1 13 13 TYR CB C 13 39.280 0.5 . 1 . . . . . . . . 5748 1 133 . 1 1 13 13 TYR HB3 H 1 2.920 0.02 . 1 . . . . . . . . 5748 1 134 . 1 1 13 13 TYR HB2 H 1 3.250 0.02 . 1 . . . . . . . . 5748 1 135 . 1 1 13 13 TYR HD1 H 1 7.500 0.02 . 1 . . . . . . . . 5748 1 136 . 1 1 14 14 GLU N N 15 111.980 0.5 . 1 . . . . . . . . 5748 1 137 . 1 1 14 14 GLU H H 1 7.770 0.02 . 1 . . . . . . . . 5748 1 138 . 1 1 14 14 GLU CA C 13 55.880 0.5 . 1 . . . . . . . . 5748 1 139 . 1 1 14 14 GLU HA H 1 4.580 0.02 . 1 . . . . . . . . 5748 1 140 . 1 1 14 14 GLU CB C 13 31.570 0.5 . 1 . . . . . . . . 5748 1 141 . 1 1 14 14 GLU HB3 H 1 1.960 0.02 . 1 . . . . . . . . 5748 1 142 . 1 1 14 14 GLU HB2 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 143 . 1 1 14 14 GLU CG C 13 36.210 0.5 . 1 . . . . . . . . 5748 1 144 . 1 1 14 14 GLU HG3 H 1 2.360 0.02 . 1 . . . . . . . . 5748 1 145 . 1 1 14 14 GLU HG2 H 1 2.360 0.02 . 1 . . . . . . . . 5748 1 146 . 1 1 15 15 LEU N N 15 116.100 0.5 . 1 . . . . . . . . 5748 1 147 . 1 1 15 15 LEU H H 1 6.810 0.02 . 1 . . . . . . . . 5748 1 148 . 1 1 15 15 LEU CA C 13 56.420 0.5 . 1 . . . . . . . . 5748 1 149 . 1 1 15 15 LEU HA H 1 4.170 0.02 . 1 . . . . . . . . 5748 1 150 . 1 1 15 15 LEU CB C 13 42.150 0.5 . 1 . . . . . . . . 5748 1 151 . 1 1 15 15 LEU HB3 H 1 1.730 0.02 . 1 . . . . . . . . 5748 1 152 . 1 1 15 15 LEU HB2 H 1 1.730 0.02 . 1 . . . . . . . . 5748 1 153 . 1 1 15 15 LEU CG C 13 25.660 0.5 . 1 . . . . . . . . 5748 1 154 . 1 1 15 15 LEU HG H 1 1.920 0.02 . 1 . . . . . . . . 5748 1 155 . 1 1 15 15 LEU CD1 C 13 21.690 0.5 . 1 . . . . . . . . 5748 1 156 . 1 1 15 15 LEU HD11 H 1 0.760 0.02 . 2 . . . . . . . . 5748 1 157 . 1 1 15 15 LEU HD12 H 1 0.760 0.02 . 2 . . . . . . . . 5748 1 158 . 1 1 15 15 LEU HD13 H 1 0.760 0.02 . 2 . . . . . . . . 5748 1 159 . 1 1 15 15 LEU CD2 C 13 25.770 0.5 . 1 . . . . . . . . 5748 1 160 . 1 1 15 15 LEU HD21 H 1 0.830 0.02 . 2 . . . . . . . . 5748 1 161 . 1 1 15 15 LEU HD22 H 1 0.830 0.02 . 2 . . . . . . . . 5748 1 162 . 1 1 15 15 LEU HD23 H 1 0.830 0.02 . 2 . . . . . . . . 5748 1 163 . 1 1 16 16 GLY N N 15 102.420 0.5 . 1 . . . . . . . . 5748 1 164 . 1 1 16 16 GLY H H 1 6.930 0.02 . 1 . . . . . . . . 5748 1 165 . 1 1 16 16 GLY CA C 13 45.340 0.5 . 1 . . . . . . . . 5748 1 166 . 1 1 16 16 GLY HA3 H 1 4.150 0.02 . 1 . . . . . . . . 5748 1 167 . 1 1 16 16 GLY HA2 H 1 4.150 0.02 . 1 . . . . . . . . 5748 1 168 . 1 1 17 17 GLY N N 15 107.260 0.5 . 1 . . . . . . . . 5748 1 169 . 1 1 17 17 GLY H H 1 8.470 0.02 . 1 . . . . . . . . 5748 1 170 . 1 1 17 17 GLY CA C 13 45.070 0.5 . 1 . . . . . . . . 5748 1 171 . 1 1 17 17 GLY HA3 H 1 3.540 0.02 . 1 . . . . . . . . 5748 1 172 . 1 1 17 17 GLY HA2 H 1 4.480 0.02 . 1 . . . . . . . . 5748 1 173 . 1 1 18 18 GLU N N 15 125.910 0.5 . 1 . . . . . . . . 5748 1 174 . 1 1 18 18 GLU H H 1 10.640 0.02 . 1 . . . . . . . . 5748 1 175 . 1 1 18 18 GLU CA C 13 56.170 0.5 . 1 . . . . . . . . 5748 1 176 . 1 1 18 18 GLU HA H 1 4.400 0.02 . 1 . . . . . . . . 5748 1 177 . 1 1 18 18 GLU CB C 13 27.620 0.5 . 1 . . . . . . . . 5748 1 178 . 1 1 18 18 GLU HB3 H 1 3.010 0.02 . 1 . . . . . . . . 5748 1 179 . 1 1 18 18 GLU HB2 H 1 3.010 0.02 . 1 . . . . . . . . 5748 1 180 . 1 1 18 18 GLU CG C 13 29.700 0.5 . 1 . . . . . . . . 5748 1 181 . 1 1 18 18 GLU HG3 H 1 3.160 0.02 . 1 . . . . . . . . 5748 1 182 . 1 1 18 18 GLU HG2 H 1 3.160 0.02 . 1 . . . . . . . . 5748 1 183 . 1 1 19 19 PRO CA C 13 65.430 0.5 . 1 . . . . . . . . 5748 1 184 . 1 1 19 19 PRO HA H 1 4.300 0.02 . 1 . . . . . . . . 5748 1 185 . 1 1 19 19 PRO CB C 13 32.120 0.5 . 1 . . . . . . . . 5748 1 186 . 1 1 19 19 PRO HB3 H 1 2.410 0.02 . 1 . . . . . . . . 5748 1 187 . 1 1 19 19 PRO HB2 H 1 2.410 0.02 . 1 . . . . . . . . 5748 1 188 . 1 1 19 19 PRO CG C 13 27.520 0.5 . 1 . . . . . . . . 5748 1 189 . 1 1 19 19 PRO HG3 H 1 1.980 0.02 . 1 . . . . . . . . 5748 1 190 . 1 1 19 19 PRO HG2 H 1 2.140 0.02 . 1 . . . . . . . . 5748 1 191 . 1 1 19 19 PRO CD C 13 50.790 0.5 . 1 . . . . . . . . 5748 1 192 . 1 1 19 19 PRO HD3 H 1 3.930 0.02 . 1 . . . . . . . . 5748 1 193 . 1 1 19 19 PRO HD2 H 1 4.010 0.02 . 1 . . . . . . . . 5748 1 194 . 1 1 20 20 GLU N N 15 113.910 0.5 . 1 . . . . . . . . 5748 1 195 . 1 1 20 20 GLU H H 1 8.840 0.02 . 1 . . . . . . . . 5748 1 196 . 1 1 20 20 GLU CA C 13 57.780 0.5 . 1 . . . . . . . . 5748 1 197 . 1 1 20 20 GLU HA H 1 4.230 0.02 . 1 . . . . . . . . 5748 1 198 . 1 1 20 20 GLU CB C 13 29.470 0.5 . 1 . . . . . . . . 5748 1 199 . 1 1 20 20 GLU HB3 H 1 2.120 0.02 . 1 . . . . . . . . 5748 1 200 . 1 1 20 20 GLU HB2 H 1 2.290 0.02 . 1 . . . . . . . . 5748 1 201 . 1 1 20 20 GLU CG C 13 36.690 0.5 . 1 . . . . . . . . 5748 1 202 . 1 1 20 20 GLU HG3 H 1 2.470 0.02 . 1 . . . . . . . . 5748 1 203 . 1 1 20 20 GLU HG2 H 1 2.470 0.02 . 1 . . . . . . . . 5748 1 204 . 1 1 21 21 ARG N N 15 118.920 0.5 . 1 . . . . . . . . 5748 1 205 . 1 1 21 21 ARG H H 1 7.350 0.02 . 1 . . . . . . . . 5748 1 206 . 1 1 21 21 ARG CA C 13 59.830 0.5 . 1 . . . . . . . . 5748 1 207 . 1 1 21 21 ARG HA H 1 3.890 0.02 . 1 . . . . . . . . 5748 1 208 . 1 1 21 21 ARG CB C 13 31.310 0.5 . 1 . . . . . . . . 5748 1 209 . 1 1 21 21 ARG HB3 H 1 1.300 0.02 . 1 . . . . . . . . 5748 1 210 . 1 1 21 21 ARG HB2 H 1 1.610 0.02 . 1 . . . . . . . . 5748 1 211 . 1 1 21 21 ARG CD C 13 42.060 0.5 . 1 . . . . . . . . 5748 1 212 . 1 1 21 21 ARG HG3 H 1 0.630 0.02 . 1 . . . . . . . . 5748 1 213 . 1 1 21 21 ARG HG2 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 214 . 1 1 21 21 ARG CG C 13 28.350 0.5 . 1 . . . . . . . . 5748 1 215 . 1 1 21 21 ARG HD3 H 1 2.840 0.02 . 1 . . . . . . . . 5748 1 216 . 1 1 21 21 ARG HD2 H 1 2.840 0.02 . 1 . . . . . . . . 5748 1 217 . 1 1 22 22 LYS N N 15 118.680 0.5 . 1 . . . . . . . . 5748 1 218 . 1 1 22 22 LYS H H 1 8.010 0.02 . 1 . . . . . . . . 5748 1 219 . 1 1 22 22 LYS CA C 13 61.480 0.5 . 1 . . . . . . . . 5748 1 220 . 1 1 22 22 LYS HA H 1 3.950 0.02 . 1 . . . . . . . . 5748 1 221 . 1 1 22 22 LYS CB C 13 31.120 0.5 . 1 . . . . . . . . 5748 1 222 . 1 1 22 22 LYS HB3 H 1 2.080 0.02 . 1 . . . . . . . . 5748 1 223 . 1 1 22 22 LYS HB2 H 1 2.080 0.02 . 1 . . . . . . . . 5748 1 224 . 1 1 22 22 LYS CG C 13 25.260 0.5 . 1 . . . . . . . . 5748 1 225 . 1 1 22 22 LYS HG3 H 1 1.510 0.02 . 1 . . . . . . . . 5748 1 226 . 1 1 22 22 LYS HG2 H 1 1.690 0.02 . 1 . . . . . . . . 5748 1 227 . 1 1 22 22 LYS CD C 13 28.920 0.5 . 1 . . . . . . . . 5748 1 228 . 1 1 22 22 LYS HD3 H 1 1.880 0.02 . 1 . . . . . . . . 5748 1 229 . 1 1 22 22 LYS HD2 H 1 1.880 0.02 . 1 . . . . . . . . 5748 1 230 . 1 1 22 22 LYS CE C 13 42.290 0.5 . 1 . . . . . . . . 5748 1 231 . 1 1 22 22 LYS HE3 H 1 2.920 0.02 . 1 . . . . . . . . 5748 1 232 . 1 1 22 22 LYS HE2 H 1 2.920 0.02 . 1 . . . . . . . . 5748 1 233 . 1 1 23 23 MET N N 15 115.000 0.5 . 1 . . . . . . . . 5748 1 234 . 1 1 23 23 MET H H 1 8.330 0.02 . 1 . . . . . . . . 5748 1 235 . 1 1 23 23 MET CA C 13 58.790 0.5 . 1 . . . . . . . . 5748 1 236 . 1 1 23 23 MET HA H 1 4.240 0.02 . 1 . . . . . . . . 5748 1 237 . 1 1 23 23 MET CB C 13 32.390 0.5 . 1 . . . . . . . . 5748 1 238 . 1 1 23 23 MET HB3 H 1 2.120 0.02 . 1 . . . . . . . . 5748 1 239 . 1 1 23 23 MET HB2 H 1 2.120 0.02 . 1 . . . . . . . . 5748 1 240 . 1 1 23 23 MET CG C 13 32.140 0.5 . 1 . . . . . . . . 5748 1 241 . 1 1 23 23 MET HG3 H 1 2.680 0.02 . 1 . . . . . . . . 5748 1 242 . 1 1 23 23 MET HG2 H 1 2.680 0.02 . 1 . . . . . . . . 5748 1 243 . 1 1 23 23 MET CE C 13 26.440 0.5 . 1 . . . . . . . . 5748 1 244 . 1 1 23 23 MET HE1 H 1 1.770 0.02 . 1 . . . . . . . . 5748 1 245 . 1 1 23 23 MET HE2 H 1 1.770 0.02 . 1 . . . . . . . . 5748 1 246 . 1 1 23 23 MET HE3 H 1 1.770 0.02 . 1 . . . . . . . . 5748 1 247 . 1 1 24 24 TRP N N 15 120.360 0.5 . 1 . . . . . . . . 5748 1 248 . 1 1 24 24 TRP H H 1 7.700 0.02 . 1 . . . . . . . . 5748 1 249 . 1 1 24 24 TRP CA C 13 62.760 0.5 . 1 . . . . . . . . 5748 1 250 . 1 1 24 24 TRP HA H 1 4.050 0.02 . 1 . . . . . . . . 5748 1 251 . 1 1 24 24 TRP CB C 13 30.300 0.5 . 1 . . . . . . . . 5748 1 252 . 1 1 24 24 TRP HB3 H 1 3.370 0.02 . 1 . . . . . . . . 5748 1 253 . 1 1 24 24 TRP HB2 H 1 3.370 0.02 . 1 . . . . . . . . 5748 1 254 . 1 1 24 24 TRP HD1 H 1 7.360 0.02 . 1 . . . . . . . . 5748 1 255 . 1 1 24 24 TRP HE1 H 1 10.640 0.02 . 1 . . . . . . . . 5748 1 256 . 1 1 24 24 TRP HZ2 H 1 7.110 0.02 . 1 . . . . . . . . 5748 1 257 . 1 1 24 24 TRP HH2 H 1 6.380 0.02 . 1 . . . . . . . . 5748 1 258 . 1 1 24 24 TRP HZ3 H 1 6.480 0.02 . 1 . . . . . . . . 5748 1 259 . 1 1 24 24 TRP HE3 H 1 7.290 0.02 . 1 . . . . . . . . 5748 1 260 . 1 1 25 25 VAL N N 15 118.900 0.5 . 1 . . . . . . . . 5748 1 261 . 1 1 25 25 VAL H H 1 9.100 0.02 . 1 . . . . . . . . 5748 1 262 . 1 1 25 25 VAL CA C 13 67.270 0.5 . 1 . . . . . . . . 5748 1 263 . 1 1 25 25 VAL HA H 1 3.350 0.02 . 1 . . . . . . . . 5748 1 264 . 1 1 25 25 VAL CB C 13 31.850 0.5 . 1 . . . . . . . . 5748 1 265 . 1 1 25 25 VAL HB H 1 1.920 0.02 . 1 . . . . . . . . 5748 1 266 . 1 1 25 25 VAL CG2 C 13 22.040 0.5 . 1 . . . . . . . . 5748 1 267 . 1 1 25 25 VAL HG21 H 1 0.080 0.02 . 2 . . . . . . . . 5748 1 268 . 1 1 25 25 VAL HG22 H 1 0.080 0.02 . 2 . . . . . . . . 5748 1 269 . 1 1 25 25 VAL HG23 H 1 0.080 0.02 . 2 . . . . . . . . 5748 1 270 . 1 1 25 25 VAL CG1 C 13 24.300 0.5 . 1 . . . . . . . . 5748 1 271 . 1 1 25 25 VAL HG11 H 1 0.920 0.02 . 2 . . . . . . . . 5748 1 272 . 1 1 25 25 VAL HG12 H 1 0.920 0.02 . 2 . . . . . . . . 5748 1 273 . 1 1 25 25 VAL HG13 H 1 0.920 0.02 . 2 . . . . . . . . 5748 1 274 . 1 1 26 26 ASP N N 15 118.470 0.5 . 1 . . . . . . . . 5748 1 275 . 1 1 26 26 ASP H H 1 8.850 0.02 . 1 . . . . . . . . 5748 1 276 . 1 1 26 26 ASP CA C 13 57.770 0.5 . 1 . . . . . . . . 5748 1 277 . 1 1 26 26 ASP HA H 1 4.230 0.02 . 1 . . . . . . . . 5748 1 278 . 1 1 26 26 ASP CB C 13 40.330 0.5 . 1 . . . . . . . . 5748 1 279 . 1 1 26 26 ASP HB3 H 1 2.670 0.02 . 1 . . . . . . . . 5748 1 280 . 1 1 26 26 ASP HB2 H 1 3.000 0.02 . 1 . . . . . . . . 5748 1 281 . 1 1 27 27 ARG N N 15 119.320 0.5 . 1 . . . . . . . . 5748 1 282 . 1 1 27 27 ARG H H 1 7.560 0.02 . 1 . . . . . . . . 5748 1 283 . 1 1 27 27 ARG CA C 13 58.810 0.5 . 1 . . . . . . . . 5748 1 284 . 1 1 27 27 ARG HA H 1 4.030 0.02 . 1 . . . . . . . . 5748 1 285 . 1 1 27 27 ARG CB C 13 30.550 0.5 . 1 . . . . . . . . 5748 1 286 . 1 1 27 27 ARG HB3 H 1 1.860 0.02 . 1 . . . . . . . . 5748 1 287 . 1 1 27 27 ARG HB2 H 1 1.860 0.02 . 1 . . . . . . . . 5748 1 288 . 1 1 27 27 ARG CG C 13 27.240 0.5 . 1 . . . . . . . . 5748 1 289 . 1 1 27 27 ARG HG3 H 1 1.690 0.02 . 1 . . . . . . . . 5748 1 290 . 1 1 27 27 ARG HG2 H 1 1.690 0.02 . 1 . . . . . . . . 5748 1 291 . 1 1 27 27 ARG CD C 13 43.590 0.5 . 1 . . . . . . . . 5748 1 292 . 1 1 27 27 ARG HD3 H 1 3.130 0.02 . 1 . . . . . . . . 5748 1 293 . 1 1 27 27 ARG HD2 H 1 3.130 0.02 . 1 . . . . . . . . 5748 1 294 . 1 1 28 28 TYR N N 15 123.210 0.5 . 1 . . . . . . . . 5748 1 295 . 1 1 28 28 TYR H H 1 8.800 0.02 . 1 . . . . . . . . 5748 1 296 . 1 1 28 28 TYR CA C 13 60.900 0.5 . 1 . . . . . . . . 5748 1 297 . 1 1 28 28 TYR HA H 1 3.170 0.02 . 1 . . . . . . . . 5748 1 298 . 1 1 28 28 TYR CB C 13 37.950 0.5 . 1 . . . . . . . . 5748 1 299 . 1 1 28 28 TYR HB3 H 1 0.830 0.02 . 1 . . . . . . . . 5748 1 300 . 1 1 28 28 TYR HB2 H 1 1.830 0.02 . 1 . . . . . . . . 5748 1 301 . 1 1 28 28 TYR HD1 H 1 6.390 0.02 . 1 . . . . . . . . 5748 1 302 . 1 1 28 28 TYR HE1 H 1 5.710 0.02 . 1 . . . . . . . . 5748 1 303 . 1 1 28 28 TYR HE2 H 1 5.710 0.02 . 1 . . . . . . . . 5748 1 304 . 1 1 28 28 TYR HD2 H 1 6.390 0.02 . 1 . . . . . . . . 5748 1 305 . 1 1 29 29 LEU N N 15 118.010 0.5 . 1 . . . . . . . . 5748 1 306 . 1 1 29 29 LEU H H 1 9.080 0.02 . 1 . . . . . . . . 5748 1 307 . 1 1 29 29 LEU CA C 13 57.470 0.5 . 1 . . . . . . . . 5748 1 308 . 1 1 29 29 LEU HA H 1 3.820 0.02 . 1 . . . . . . . . 5748 1 309 . 1 1 29 29 LEU CB C 13 39.780 0.5 . 1 . . . . . . . . 5748 1 310 . 1 1 29 29 LEU HB3 H 1 1.780 0.02 . 1 . . . . . . . . 5748 1 311 . 1 1 29 29 LEU HB2 H 1 1.780 0.02 . 1 . . . . . . . . 5748 1 312 . 1 1 29 29 LEU CG C 13 26.180 0.5 . 1 . . . . . . . . 5748 1 313 . 1 1 29 29 LEU HG H 1 1.340 0.02 . 1 . . . . . . . . 5748 1 314 . 1 1 29 29 LEU CD1 C 13 22.740 0.5 . 1 . . . . . . . . 5748 1 315 . 1 1 29 29 LEU HD11 H 1 0.750 0.02 . 2 . . . . . . . . 5748 1 316 . 1 1 29 29 LEU HD12 H 1 0.750 0.02 . 2 . . . . . . . . 5748 1 317 . 1 1 29 29 LEU HD13 H 1 0.750 0.02 . 2 . . . . . . . . 5748 1 318 . 1 1 29 29 LEU CD2 C 13 26.280 0.5 . 1 . . . . . . . . 5748 1 319 . 1 1 29 29 LEU HD21 H 1 0.840 0.02 . 2 . . . . . . . . 5748 1 320 . 1 1 29 29 LEU HD22 H 1 0.840 0.02 . 2 . . . . . . . . 5748 1 321 . 1 1 29 29 LEU HD23 H 1 0.840 0.02 . 2 . . . . . . . . 5748 1 322 . 1 1 30 30 ALA N N 15 120.600 0.5 . 1 . . . . . . . . 5748 1 323 . 1 1 30 30 ALA H H 1 7.350 0.02 . 1 . . . . . . . . 5748 1 324 . 1 1 30 30 ALA CA C 13 55.140 0.5 . 1 . . . . . . . . 5748 1 325 . 1 1 30 30 ALA HA H 1 4.110 0.02 . 1 . . . . . . . . 5748 1 326 . 1 1 30 30 ALA CB C 13 17.870 0.5 . 1 . . . . . . . . 5748 1 327 . 1 1 30 30 ALA HB1 H 1 1.470 0.02 . 1 . . . . . . . . 5748 1 328 . 1 1 30 30 ALA HB2 H 1 1.470 0.02 . 1 . . . . . . . . 5748 1 329 . 1 1 30 30 ALA HB3 H 1 1.470 0.02 . 1 . . . . . . . . 5748 1 330 . 1 1 31 31 PHE N N 15 121.080 0.5 . 1 . . . . . . . . 5748 1 331 . 1 1 31 31 PHE H H 1 7.820 0.02 . 1 . . . . . . . . 5748 1 332 . 1 1 31 31 PHE CA C 13 61.440 0.5 . 1 . . . . . . . . 5748 1 333 . 1 1 31 31 PHE HA H 1 4.260 0.02 . 1 . . . . . . . . 5748 1 334 . 1 1 31 31 PHE CB C 13 39.280 0.5 . 1 . . . . . . . . 5748 1 335 . 1 1 31 31 PHE HB3 H 1 3.210 0.02 . 1 . . . . . . . . 5748 1 336 . 1 1 31 31 PHE HB2 H 1 3.210 0.02 . 1 . . . . . . . . 5748 1 337 . 1 1 31 31 PHE HD1 H 1 6.980 0.02 . 1 . . . . . . . . 5748 1 338 . 1 1 31 31 PHE HE1 H 1 7.270 0.02 . 1 . . . . . . . . 5748 1 339 . 1 1 31 31 PHE HE2 H 1 7.270 0.02 . 1 . . . . . . . . 5748 1 340 . 1 1 31 31 PHE HD2 H 1 6.980 0.02 . 1 . . . . . . . . 5748 1 341 . 1 1 32 32 THR N N 15 109.990 0.5 . 1 . . . . . . . . 5748 1 342 . 1 1 32 32 THR H H 1 8.520 0.02 . 1 . . . . . . . . 5748 1 343 . 1 1 32 32 THR CA C 13 65.160 0.5 . 1 . . . . . . . . 5748 1 344 . 1 1 32 32 THR HA H 1 3.780 0.02 . 1 . . . . . . . . 5748 1 345 . 1 1 32 32 THR CB C 13 68.600 0.5 . 1 . . . . . . . . 5748 1 346 . 1 1 32 32 THR HB H 1 3.920 0.02 . 1 . . . . . . . . 5748 1 347 . 1 1 32 32 THR CG2 C 13 21.450 0.5 . 1 . . . . . . . . 5748 1 348 . 1 1 32 32 THR HG21 H 1 0.770 0.02 . 1 . . . . . . . . 5748 1 349 . 1 1 32 32 THR HG22 H 1 0.770 0.02 . 1 . . . . . . . . 5748 1 350 . 1 1 32 32 THR HG23 H 1 0.770 0.02 . 1 . . . . . . . . 5748 1 351 . 1 1 33 33 GLU N N 15 121.460 0.5 . 1 . . . . . . . . 5748 1 352 . 1 1 33 33 GLU H H 1 7.430 0.02 . 1 . . . . . . . . 5748 1 353 . 1 1 33 33 GLU CA C 13 58.580 0.5 . 1 . . . . . . . . 5748 1 354 . 1 1 33 33 GLU HA H 1 4.150 0.02 . 1 . . . . . . . . 5748 1 355 . 1 1 33 33 GLU CB C 13 29.500 0.5 . 1 . . . . . . . . 5748 1 356 . 1 1 33 33 GLU HB3 H 1 1.990 0.02 . 1 . . . . . . . . 5748 1 357 . 1 1 33 33 GLU HB2 H 1 2.140 0.02 . 1 . . . . . . . . 5748 1 358 . 1 1 33 33 GLU CG C 13 35.870 0.5 . 1 . . . . . . . . 5748 1 359 . 1 1 33 33 GLU HG3 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 360 . 1 1 33 33 GLU HG2 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 361 . 1 1 34 34 GLU N N 15 123.590 0.5 . 1 . . . . . . . . 5748 1 362 . 1 1 34 34 GLU H H 1 8.230 0.02 . 1 . . . . . . . . 5748 1 363 . 1 1 34 34 GLU CA C 13 59.320 0.5 . 1 . . . . . . . . 5748 1 364 . 1 1 34 34 GLU HA H 1 3.890 0.02 . 1 . . . . . . . . 5748 1 365 . 1 1 34 34 GLU CB C 13 29.490 0.5 . 1 . . . . . . . . 5748 1 366 . 1 1 34 34 GLU HB3 H 1 2.060 0.02 . 1 . . . . . . . . 5748 1 367 . 1 1 34 34 GLU HB2 H 1 2.060 0.02 . 1 . . . . . . . . 5748 1 368 . 1 1 34 34 GLU CG C 13 35.770 0.5 . 1 . . . . . . . . 5748 1 369 . 1 1 34 34 GLU HG3 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 370 . 1 1 34 34 GLU HG2 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 371 . 1 1 35 35 LYS N N 15 113.710 0.5 . 1 . . . . . . . . 5748 1 372 . 1 1 35 35 LYS H H 1 7.640 0.02 . 1 . . . . . . . . 5748 1 373 . 1 1 35 35 LYS CA C 13 53.780 0.5 . 1 . . . . . . . . 5748 1 374 . 1 1 35 35 LYS HA H 1 3.890 0.02 . 1 . . . . . . . . 5748 1 375 . 1 1 35 35 LYS CB C 13 31.070 0.5 . 1 . . . . . . . . 5748 1 376 . 1 1 35 35 LYS HB3 H 1 1.630 0.02 . 1 . . . . . . . . 5748 1 377 . 1 1 35 35 LYS HB2 H 1 1.630 0.02 . 1 . . . . . . . . 5748 1 378 . 1 1 35 35 LYS CG C 13 23.690 0.5 . 1 . . . . . . . . 5748 1 379 . 1 1 35 35 LYS HG3 H 1 0.550 0.02 . 1 . . . . . . . . 5748 1 380 . 1 1 35 35 LYS HG2 H 1 0.550 0.02 . 1 . . . . . . . . 5748 1 381 . 1 1 35 35 LYS CD C 13 27.290 0.5 . 1 . . . . . . . . 5748 1 382 . 1 1 35 35 LYS HD3 H 1 1.040 0.02 . 1 . . . . . . . . 5748 1 383 . 1 1 35 35 LYS HD2 H 1 1.200 0.02 . 1 . . . . . . . . 5748 1 384 . 1 1 35 35 LYS CE C 13 42.020 0.5 . 1 . . . . . . . . 5748 1 385 . 1 1 35 35 LYS HE3 H 1 2.570 0.02 . 1 . . . . . . . . 5748 1 386 . 1 1 35 35 LYS HE2 H 1 2.800 0.02 . 1 . . . . . . . . 5748 1 387 . 1 1 36 36 ALA N N 15 122.350 0.5 . 1 . . . . . . . . 5748 1 388 . 1 1 36 36 ALA H H 1 7.690 0.02 . 1 . . . . . . . . 5748 1 389 . 1 1 36 36 ALA CA C 13 52.720 0.5 . 1 . . . . . . . . 5748 1 390 . 1 1 36 36 ALA HA H 1 4.090 0.02 . 1 . . . . . . . . 5748 1 391 . 1 1 36 36 ALA CB C 13 16.280 0.5 . 1 . . . . . . . . 5748 1 392 . 1 1 36 36 ALA HB1 H 1 1.260 0.02 . 1 . . . . . . . . 5748 1 393 . 1 1 36 36 ALA HB2 H 1 1.260 0.02 . 1 . . . . . . . . 5748 1 394 . 1 1 36 36 ALA HB3 H 1 1.260 0.02 . 1 . . . . . . . . 5748 1 395 . 1 1 37 37 MET N N 15 113.890 0.5 . 1 . . . . . . . . 5748 1 396 . 1 1 37 37 MET H H 1 8.090 0.02 . 1 . . . . . . . . 5748 1 397 . 1 1 37 37 MET CA C 13 57.540 0.5 . 1 . . . . . . . . 5748 1 398 . 1 1 37 37 MET HA H 1 4.030 0.02 . 1 . . . . . . . . 5748 1 399 . 1 1 37 37 MET CB C 13 34.500 0.5 . 1 . . . . . . . . 5748 1 400 . 1 1 37 37 MET HB3 H 1 1.590 0.02 . 1 . . . . . . . . 5748 1 401 . 1 1 37 37 MET HB2 H 1 1.590 0.02 . 1 . . . . . . . . 5748 1 402 . 1 1 37 37 MET CG C 13 32.450 0.5 . 1 . . . . . . . . 5748 1 403 . 1 1 37 37 MET HG3 H 1 2.550 0.02 . 1 . . . . . . . . 5748 1 404 . 1 1 37 37 MET HG2 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 405 . 1 1 37 37 MET CE C 13 15.640 0.5 . 1 . . . . . . . . 5748 1 406 . 1 1 37 37 MET HE1 H 1 2.260 0.02 . 1 . . . . . . . . 5748 1 407 . 1 1 37 37 MET HE2 H 1 2.260 0.02 . 1 . . . . . . . . 5748 1 408 . 1 1 37 37 MET HE3 H 1 2.260 0.02 . 1 . . . . . . . . 5748 1 409 . 1 1 38 38 GLY N N 15 109.140 0.5 . 1 . . . . . . . . 5748 1 410 . 1 1 38 38 GLY H H 1 8.540 0.02 . 1 . . . . . . . . 5748 1 411 . 1 1 38 38 GLY CA C 13 46.920 0.5 . 1 . . . . . . . . 5748 1 412 . 1 1 38 38 GLY HA3 H 1 3.740 0.02 . 1 . . . . . . . . 5748 1 413 . 1 1 38 38 GLY HA2 H 1 4.540 0.02 . 1 . . . . . . . . 5748 1 414 . 1 1 39 39 MET N N 15 120.640 0.5 . 1 . . . . . . . . 5748 1 415 . 1 1 39 39 MET H H 1 8.200 0.02 . 1 . . . . . . . . 5748 1 416 . 1 1 39 39 MET CA C 13 53.810 0.5 . 1 . . . . . . . . 5748 1 417 . 1 1 39 39 MET HA H 1 4.710 0.02 . 1 . . . . . . . . 5748 1 418 . 1 1 39 39 MET CB C 13 31.570 0.5 . 1 . . . . . . . . 5748 1 419 . 1 1 39 39 MET HB3 H 1 1.720 0.02 . 1 . . . . . . . . 5748 1 420 . 1 1 39 39 MET HB2 H 1 1.720 0.02 . 1 . . . . . . . . 5748 1 421 . 1 1 39 39 MET CG C 13 31.350 0.5 . 1 . . . . . . . . 5748 1 422 . 1 1 39 39 MET HG3 H 1 2.510 0.02 . 1 . . . . . . . . 5748 1 423 . 1 1 39 39 MET HG2 H 1 2.510 0.02 . 1 . . . . . . . . 5748 1 424 . 1 1 39 39 MET CE C 13 17.160 0.5 . 1 . . . . . . . . 5748 1 425 . 1 1 39 39 MET HE1 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 426 . 1 1 39 39 MET HE2 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 427 . 1 1 39 39 MET HE3 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 428 . 1 1 40 40 THR N N 15 114.410 0.5 . 1 . . . . . . . . 5748 1 429 . 1 1 40 40 THR H H 1 8.240 0.02 . 1 . . . . . . . . 5748 1 430 . 1 1 40 40 THR CA C 13 62.870 0.5 . 1 . . . . . . . . 5748 1 431 . 1 1 40 40 THR HA H 1 4.280 0.02 . 1 . . . . . . . . 5748 1 432 . 1 1 40 40 THR CB C 13 69.660 0.5 . 1 . . . . . . . . 5748 1 433 . 1 1 40 40 THR HB H 1 4.150 0.02 . 1 . . . . . . . . 5748 1 434 . 1 1 40 40 THR CG2 C 13 21.410 0.5 . 1 . . . . . . . . 5748 1 435 . 1 1 40 40 THR HG21 H 1 1.100 0.02 . 1 . . . . . . . . 5748 1 436 . 1 1 40 40 THR HG22 H 1 1.100 0.02 . 1 . . . . . . . . 5748 1 437 . 1 1 40 40 THR HG23 H 1 1.100 0.02 . 1 . . . . . . . . 5748 1 438 . 1 1 41 41 ASN N N 15 122.110 0.5 . 1 . . . . . . . . 5748 1 439 . 1 1 41 41 ASN H H 1 8.480 0.02 . 1 . . . . . . . . 5748 1 440 . 1 1 41 41 ASN CA C 13 52.150 0.5 . 1 . . . . . . . . 5748 1 441 . 1 1 41 41 ASN HA H 1 5.420 0.02 . 1 . . . . . . . . 5748 1 442 . 1 1 41 41 ASN CB C 13 41.380 0.5 . 1 . . . . . . . . 5748 1 443 . 1 1 41 41 ASN HB3 H 1 2.470 0.02 . 1 . . . . . . . . 5748 1 444 . 1 1 41 41 ASN HB2 H 1 2.760 0.02 . 1 . . . . . . . . 5748 1 445 . 1 1 41 41 ASN ND2 N 15 110.480 0.5 . 1 . . . . . . . . 5748 1 446 . 1 1 41 41 ASN HD21 H 1 6.920 0.02 . 2 . . . . . . . . 5748 1 447 . 1 1 41 41 ASN HD22 H 1 7.420 0.02 . 2 . . . . . . . . 5748 1 448 . 1 1 42 42 LEU N N 15 121.480 0.5 . 1 . . . . . . . . 5748 1 449 . 1 1 42 42 LEU H H 1 8.270 0.02 . 1 . . . . . . . . 5748 1 450 . 1 1 42 42 LEU CA C 13 53.000 0.5 . 1 . . . . . . . . 5748 1 451 . 1 1 42 42 LEU HA H 1 4.370 0.02 . 1 . . . . . . . . 5748 1 452 . 1 1 42 42 LEU CB C 13 42.680 0.5 . 1 . . . . . . . . 5748 1 453 . 1 1 42 42 LEU HB3 H 1 1.710 0.02 . 1 . . . . . . . . 5748 1 454 . 1 1 42 42 LEU HB2 H 1 1.320 0.02 . 1 . . . . . . . . 5748 1 455 . 1 1 42 42 LEU CG C 13 26.200 0.5 . 1 . . . . . . . . 5748 1 456 . 1 1 42 42 LEU HG H 1 1.930 0.02 . 1 . . . . . . . . 5748 1 457 . 1 1 42 42 LEU CD1 C 13 26.500 0.5 . 1 . . . . . . . . 5748 1 458 . 1 1 42 42 LEU HD11 H 1 0.860 0.02 . 2 . . . . . . . . 5748 1 459 . 1 1 42 42 LEU HD12 H 1 0.860 0.02 . 2 . . . . . . . . 5748 1 460 . 1 1 42 42 LEU HD13 H 1 0.860 0.02 . 2 . . . . . . . . 5748 1 461 . 1 1 42 42 LEU CD2 C 13 26.000 0.5 . 1 . . . . . . . . 5748 1 462 . 1 1 42 42 LEU HD21 H 1 0.960 0.02 . 2 . . . . . . . . 5748 1 463 . 1 1 42 42 LEU HD22 H 1 0.960 0.02 . 2 . . . . . . . . 5748 1 464 . 1 1 42 42 LEU HD23 H 1 0.960 0.02 . 2 . . . . . . . . 5748 1 465 . 1 1 43 43 PRO CA C 13 62.800 0.5 . 1 . . . . . . . . 5748 1 466 . 1 1 43 43 PRO HA H 1 4.660 0.02 . 1 . . . . . . . . 5748 1 467 . 1 1 43 43 PRO CB C 13 32.920 0.5 . 1 . . . . . . . . 5748 1 468 . 1 1 43 43 PRO HB3 H 1 1.770 0.02 . 1 . . . . . . . . 5748 1 469 . 1 1 43 43 PRO HB2 H 1 2.450 0.02 . 1 . . . . . . . . 5748 1 470 . 1 1 43 43 PRO CG C 13 27.810 0.5 . 1 . . . . . . . . 5748 1 471 . 1 1 43 43 PRO HG3 H 1 2.150 0.02 . 1 . . . . . . . . 5748 1 472 . 1 1 43 43 PRO HG2 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 473 . 1 1 43 43 PRO CD C 13 50.470 0.5 . 1 . . . . . . . . 5748 1 474 . 1 1 43 43 PRO HD3 H 1 3.660 0.02 . 1 . . . . . . . . 5748 1 475 . 1 1 43 43 PRO HD2 H 1 4.110 0.02 . 1 . . . . . . . . 5748 1 476 . 1 1 44 44 ALA N N 15 119.390 0.5 . 1 . . . . . . . . 5748 1 477 . 1 1 44 44 ALA H H 1 7.830 0.02 . 1 . . . . . . . . 5748 1 478 . 1 1 44 44 ALA CA C 13 50.600 0.5 . 1 . . . . . . . . 5748 1 479 . 1 1 44 44 ALA HA H 1 4.990 0.02 . 1 . . . . . . . . 5748 1 480 . 1 1 44 44 ALA CB C 13 23.920 0.5 . 1 . . . . . . . . 5748 1 481 . 1 1 44 44 ALA HB1 H 1 0.960 0.02 . 1 . . . . . . . . 5748 1 482 . 1 1 44 44 ALA HB2 H 1 0.960 0.02 . 1 . . . . . . . . 5748 1 483 . 1 1 44 44 ALA HB3 H 1 0.960 0.02 . 1 . . . . . . . . 5748 1 484 . 1 1 45 45 VAL N N 15 118.940 0.5 . 1 . . . . . . . . 5748 1 485 . 1 1 45 45 VAL H H 1 8.390 0.02 . 1 . . . . . . . . 5748 1 486 . 1 1 45 45 VAL CA C 13 62.220 0.5 . 1 . . . . . . . . 5748 1 487 . 1 1 45 45 VAL HA H 1 4.050 0.02 . 1 . . . . . . . . 5748 1 488 . 1 1 45 45 VAL CB C 13 33.970 0.5 . 1 . . . . . . . . 5748 1 489 . 1 1 45 45 VAL HB H 1 1.820 0.02 . 1 . . . . . . . . 5748 1 490 . 1 1 45 45 VAL CG2 C 13 20.890 0.5 . 1 . . . . . . . . 5748 1 491 . 1 1 45 45 VAL HG21 H 1 0.890 0.02 . 2 . . . . . . . . 5748 1 492 . 1 1 45 45 VAL HG22 H 1 0.890 0.02 . 2 . . . . . . . . 5748 1 493 . 1 1 45 45 VAL HG23 H 1 0.890 0.02 . 2 . . . . . . . . 5748 1 494 . 1 1 45 45 VAL CG1 C 13 22.150 0.5 . 1 . . . . . . . . 5748 1 495 . 1 1 45 45 VAL HG11 H 1 0.790 0.02 . 2 . . . . . . . . 5748 1 496 . 1 1 45 45 VAL HG12 H 1 0.790 0.02 . 2 . . . . . . . . 5748 1 497 . 1 1 45 45 VAL HG13 H 1 0.790 0.02 . 2 . . . . . . . . 5748 1 498 . 1 1 46 46 GLY N N 15 119.060 0.5 . 1 . . . . . . . . 5748 1 499 . 1 1 46 46 GLY H H 1 9.160 0.02 . 1 . . . . . . . . 5748 1 500 . 1 1 46 46 GLY CA C 13 47.420 0.5 . 1 . . . . . . . . 5748 1 501 . 1 1 46 46 GLY HA3 H 1 3.870 0.02 . 1 . . . . . . . . 5748 1 502 . 1 1 46 46 GLY HA2 H 1 3.720 0.02 . 1 . . . . . . . . 5748 1 503 . 1 1 47 47 ARG N N 15 116.540 0.5 . 1 . . . . . . . . 5748 1 504 . 1 1 47 47 ARG H H 1 8.790 0.02 . 1 . . . . . . . . 5748 1 505 . 1 1 47 47 ARG CA C 13 56.940 0.5 . 1 . . . . . . . . 5748 1 506 . 1 1 47 47 ARG HA H 1 3.930 0.02 . 1 . . . . . . . . 5748 1 507 . 1 1 47 47 ARG CB C 13 29.490 0.5 . 1 . . . . . . . . 5748 1 508 . 1 1 47 47 ARG HB3 H 1 1.990 0.02 . 1 . . . . . . . . 5748 1 509 . 1 1 47 47 ARG HB2 H 1 1.990 0.02 . 1 . . . . . . . . 5748 1 510 . 1 1 47 47 ARG CG C 13 27.580 0.5 . 1 . . . . . . . . 5748 1 511 . 1 1 47 47 ARG HG3 H 1 1.550 0.02 . 1 . . . . . . . . 5748 1 512 . 1 1 47 47 ARG HG2 H 1 1.550 0.02 . 1 . . . . . . . . 5748 1 513 . 1 1 47 47 ARG CD C 13 43.130 0.5 . 1 . . . . . . . . 5748 1 514 . 1 1 47 47 ARG HD3 H 1 3.150 0.02 . 1 . . . . . . . . 5748 1 515 . 1 1 47 47 ARG HD2 H 1 3.150 0.02 . 1 . . . . . . . . 5748 1 516 . 1 1 48 48 LYS N N 15 121.630 0.5 . 1 . . . . . . . . 5748 1 517 . 1 1 48 48 LYS H H 1 7.900 0.02 . 1 . . . . . . . . 5748 1 518 . 1 1 48 48 LYS CA C 13 53.020 0.5 . 1 . . . . . . . . 5748 1 519 . 1 1 48 48 LYS HA H 1 4.750 0.02 . 1 . . . . . . . . 5748 1 520 . 1 1 48 48 LYS CB C 13 32.910 0.5 . 1 . . . . . . . . 5748 1 521 . 1 1 48 48 LYS HB3 H 1 1.950 0.02 . 1 . . . . . . . . 5748 1 522 . 1 1 48 48 LYS HB2 H 1 2.100 0.02 . 1 . . . . . . . . 5748 1 523 . 1 1 48 48 LYS CG C 13 24.700 0.5 . 1 . . . . . . . . 5748 1 524 . 1 1 48 48 LYS HG3 H 1 1.430 0.02 . 1 . . . . . . . . 5748 1 525 . 1 1 48 48 LYS HG2 H 1 1.500 0.02 . 1 . . . . . . . . 5748 1 526 . 1 1 48 48 LYS CD C 13 28.800 0.5 . 1 . . . . . . . . 5748 1 527 . 1 1 48 48 LYS HD3 H 1 1.710 0.02 . 1 . . . . . . . . 5748 1 528 . 1 1 48 48 LYS HD2 H 1 1.710 0.02 . 1 . . . . . . . . 5748 1 529 . 1 1 48 48 LYS CE C 13 41.900 0.5 . 1 . . . . . . . . 5748 1 530 . 1 1 48 48 LYS HE3 H 1 2.980 0.02 . 1 . . . . . . . . 5748 1 531 . 1 1 48 48 LYS HE2 H 1 2.980 0.02 . 1 . . . . . . . . 5748 1 532 . 1 1 49 49 PRO CA C 13 62.540 0.5 . 1 . . . . . . . . 5748 1 533 . 1 1 49 49 PRO HA H 1 4.230 0.02 . 1 . . . . . . . . 5748 1 534 . 1 1 49 49 PRO CB C 13 32.670 0.5 . 1 . . . . . . . . 5748 1 535 . 1 1 49 49 PRO HB3 H 1 2.120 0.02 . 1 . . . . . . . . 5748 1 536 . 1 1 49 49 PRO HB2 H 1 2.120 0.02 . 1 . . . . . . . . 5748 1 537 . 1 1 49 49 PRO CG C 13 27.270 0.5 . 1 . . . . . . . . 5748 1 538 . 1 1 49 49 PRO HG3 H 1 1.720 0.02 . 1 . . . . . . . . 5748 1 539 . 1 1 49 49 PRO HG2 H 1 1.720 0.02 . 1 . . . . . . . . 5748 1 540 . 1 1 49 49 PRO CD C 13 50.550 0.5 . 1 . . . . . . . . 5748 1 541 . 1 1 49 49 PRO HD3 H 1 3.720 0.02 . 1 . . . . . . . . 5748 1 542 . 1 1 49 49 PRO HD2 H 1 3.910 0.02 . 1 . . . . . . . . 5748 1 543 . 1 1 50 50 LEU N N 15 123.820 0.5 . 1 . . . . . . . . 5748 1 544 . 1 1 50 50 LEU H H 1 8.460 0.02 . 1 . . . . . . . . 5748 1 545 . 1 1 50 50 LEU CA C 13 53.000 0.5 . 1 . . . . . . . . 5748 1 546 . 1 1 50 50 LEU HA H 1 4.340 0.02 . 1 . . . . . . . . 5748 1 547 . 1 1 50 50 LEU CB C 13 43.740 0.5 . 1 . . . . . . . . 5748 1 548 . 1 1 50 50 LEU HB3 H 1 0.940 0.02 . 1 . . . . . . . . 5748 1 549 . 1 1 50 50 LEU HB2 H 1 1.550 0.02 . 1 . . . . . . . . 5748 1 550 . 1 1 50 50 LEU CG C 13 25.640 0.5 . 1 . . . . . . . . 5748 1 551 . 1 1 50 50 LEU HG H 1 1.130 0.02 . 1 . . . . . . . . 5748 1 552 . 1 1 50 50 LEU CD1 C 13 23.380 0.5 . 1 . . . . . . . . 5748 1 553 . 1 1 50 50 LEU HD11 H 1 0.750 0.02 . 2 . . . . . . . . 5748 1 554 . 1 1 50 50 LEU HD12 H 1 0.750 0.02 . 2 . . . . . . . . 5748 1 555 . 1 1 50 50 LEU HD13 H 1 0.750 0.02 . 2 . . . . . . . . 5748 1 556 . 1 1 50 50 LEU CD2 C 13 21.420 0.5 . 1 . . . . . . . . 5748 1 557 . 1 1 50 50 LEU HD21 H 1 0.630 0.02 . 2 . . . . . . . . 5748 1 558 . 1 1 50 50 LEU HD22 H 1 0.630 0.02 . 2 . . . . . . . . 5748 1 559 . 1 1 50 50 LEU HD23 H 1 0.630 0.02 . 2 . . . . . . . . 5748 1 560 . 1 1 51 51 ASP N N 15 122.590 0.5 . 1 . . . . . . . . 5748 1 561 . 1 1 51 51 ASP H H 1 8.510 0.02 . 1 . . . . . . . . 5748 1 562 . 1 1 51 51 ASP CA C 13 52.450 0.5 . 1 . . . . . . . . 5748 1 563 . 1 1 51 51 ASP HA H 1 4.300 0.02 . 1 . . . . . . . . 5748 1 564 . 1 1 51 51 ASP CB C 13 39.260 0.5 . 1 . . . . . . . . 5748 1 565 . 1 1 51 51 ASP HB3 H 1 2.960 0.02 . 1 . . . . . . . . 5748 1 566 . 1 1 51 51 ASP HB2 H 1 3.180 0.02 . 1 . . . . . . . . 5748 1 567 . 1 1 52 52 LEU N N 15 122.590 0.5 . 1 . . . . . . . . 5748 1 568 . 1 1 52 52 LEU H H 1 6.820 0.02 . 1 . . . . . . . . 5748 1 569 . 1 1 52 52 LEU CA C 13 57.230 0.5 . 1 . . . . . . . . 5748 1 570 . 1 1 52 52 LEU HA H 1 3.760 0.02 . 1 . . . . . . . . 5748 1 571 . 1 1 52 52 LEU CB C 13 42.940 0.5 . 1 . . . . . . . . 5748 1 572 . 1 1 52 52 LEU HB3 H 1 1.450 0.02 . 1 . . . . . . . . 5748 1 573 . 1 1 52 52 LEU HB2 H 1 1.720 0.02 . 1 . . . . . . . . 5748 1 574 . 1 1 52 52 LEU CG C 13 26.250 0.5 . 1 . . . . . . . . 5748 1 575 . 1 1 52 52 LEU HG H 1 1.080 0.02 . 1 . . . . . . . . 5748 1 576 . 1 1 52 52 LEU CD1 C 13 21.610 0.5 . 1 . . . . . . . . 5748 1 577 . 1 1 52 52 LEU HD11 H 1 0.790 0.02 . 1 . . . . . . . . 5748 1 578 . 1 1 52 52 LEU HD12 H 1 0.790 0.02 . 1 . . . . . . . . 5748 1 579 . 1 1 52 52 LEU HD13 H 1 0.790 0.02 . 1 . . . . . . . . 5748 1 580 . 1 1 52 52 LEU CD2 C 13 26.280 0.5 . 1 . . . . . . . . 5748 1 581 . 1 1 52 52 LEU HD21 H 1 0.790 0.02 . 1 . . . . . . . . 5748 1 582 . 1 1 52 52 LEU HD22 H 1 0.790 0.02 . 1 . . . . . . . . 5748 1 583 . 1 1 52 52 LEU HD23 H 1 0.790 0.02 . 1 . . . . . . . . 5748 1 584 . 1 1 53 53 TYR N N 15 115.230 0.5 . 1 . . . . . . . . 5748 1 585 . 1 1 53 53 TYR H H 1 7.220 0.02 . 1 . . . . . . . . 5748 1 586 . 1 1 53 53 TYR CA C 13 60.410 0.5 . 1 . . . . . . . . 5748 1 587 . 1 1 53 53 TYR HA H 1 2.490 0.02 . 1 . . . . . . . . 5748 1 588 . 1 1 53 53 TYR CB C 13 37.400 0.5 . 1 . . . . . . . . 5748 1 589 . 1 1 53 53 TYR HB3 H 1 2.660 0.02 . 1 . . . . . . . . 5748 1 590 . 1 1 53 53 TYR HB2 H 1 2.400 0.02 . 1 . . . . . . . . 5748 1 591 . 1 1 53 53 TYR HD1 H 1 6.320 0.02 . 1 . . . . . . . . 5748 1 592 . 1 1 53 53 TYR HE1 H 1 6.220 0.02 . 1 . . . . . . . . 5748 1 593 . 1 1 53 53 TYR HE2 H 1 6.220 0.02 . 1 . . . . . . . . 5748 1 594 . 1 1 53 53 TYR HD2 H 1 6.320 0.02 . 1 . . . . . . . . 5748 1 595 . 1 1 54 54 ARG N N 15 116.920 0.5 . 1 . . . . . . . . 5748 1 596 . 1 1 54 54 ARG H H 1 6.480 0.02 . 1 . . . . . . . . 5748 1 597 . 1 1 54 54 ARG CA C 13 58.550 0.5 . 1 . . . . . . . . 5748 1 598 . 1 1 54 54 ARG HA H 1 3.320 0.02 . 1 . . . . . . . . 5748 1 599 . 1 1 54 54 ARG CB C 13 30.030 0.5 . 1 . . . . . . . . 5748 1 600 . 1 1 54 54 ARG HB3 H 1 1.420 0.02 . 1 . . . . . . . . 5748 1 601 . 1 1 54 54 ARG HB2 H 1 1.620 0.02 . 1 . . . . . . . . 5748 1 602 . 1 1 54 54 ARG CG C 13 27.990 0.5 . 1 . . . . . . . . 5748 1 603 . 1 1 54 54 ARG HG3 H 1 1.450 0.02 . 1 . . . . . . . . 5748 1 604 . 1 1 54 54 ARG HG2 H 1 1.450 0.02 . 1 . . . . . . . . 5748 1 605 . 1 1 54 54 ARG CD C 13 43.020 0.5 . 1 . . . . . . . . 5748 1 606 . 1 1 54 54 ARG HD3 H 1 3.150 0.02 . 1 . . . . . . . . 5748 1 607 . 1 1 54 54 ARG HD2 H 1 3.150 0.02 . 1 . . . . . . . . 5748 1 608 . 1 1 55 55 LEU N N 15 118.920 0.5 . 1 . . . . . . . . 5748 1 609 . 1 1 55 55 LEU H H 1 8.130 0.02 . 1 . . . . . . . . 5748 1 610 . 1 1 55 55 LEU CA C 13 58.150 0.5 . 1 . . . . . . . . 5748 1 611 . 1 1 55 55 LEU HA H 1 3.950 0.02 . 1 . . . . . . . . 5748 1 612 . 1 1 55 55 LEU CB C 13 41.120 0.5 . 1 . . . . . . . . 5748 1 613 . 1 1 55 55 LEU HB3 H 1 1.330 0.02 . 1 . . . . . . . . 5748 1 614 . 1 1 55 55 LEU HB2 H 1 1.860 0.02 . 1 . . . . . . . . 5748 1 615 . 1 1 55 55 LEU CG C 13 26.990 0.5 . 1 . . . . . . . . 5748 1 616 . 1 1 55 55 LEU HG H 1 1.690 0.02 . 1 . . . . . . . . 5748 1 617 . 1 1 55 55 LEU CD1 C 13 22.670 0.5 . 1 . . . . . . . . 5748 1 618 . 1 1 55 55 LEU HD11 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 619 . 1 1 55 55 LEU HD12 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 620 . 1 1 55 55 LEU HD13 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 621 . 1 1 55 55 LEU CD2 C 13 26.790 0.5 . 1 . . . . . . . . 5748 1 622 . 1 1 55 55 LEU HD21 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 623 . 1 1 55 55 LEU HD22 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 624 . 1 1 55 55 LEU HD23 H 1 1.060 0.02 . 1 . . . . . . . . 5748 1 625 . 1 1 56 56 TYR N N 15 119.320 0.5 . 1 . . . . . . . . 5748 1 626 . 1 1 56 56 TYR H H 1 8.070 0.02 . 1 . . . . . . . . 5748 1 627 . 1 1 56 56 TYR CA C 13 64.100 0.5 . 1 . . . . . . . . 5748 1 628 . 1 1 56 56 TYR HA H 1 3.780 0.02 . 1 . . . . . . . . 5748 1 629 . 1 1 56 56 TYR CB C 13 39.000 0.5 . 1 . . . . . . . . 5748 1 630 . 1 1 56 56 TYR HB3 H 1 2.590 0.02 . 1 . . . . . . . . 5748 1 631 . 1 1 56 56 TYR HB2 H 1 3.150 0.02 . 1 . . . . . . . . 5748 1 632 . 1 1 56 56 TYR HD1 H 1 6.430 0.02 . 1 . . . . . . . . 5748 1 633 . 1 1 56 56 TYR HE1 H 1 6.250 0.02 . 1 . . . . . . . . 5748 1 634 . 1 1 56 56 TYR HE2 H 1 6.250 0.02 . 1 . . . . . . . . 5748 1 635 . 1 1 56 56 TYR HD2 H 1 6.430 0.02 . 1 . . . . . . . . 5748 1 636 . 1 1 57 57 VAL N N 15 116.110 0.5 . 1 . . . . . . . . 5748 1 637 . 1 1 57 57 VAL H H 1 7.990 0.02 . 1 . . . . . . . . 5748 1 638 . 1 1 57 57 VAL CA C 13 66.210 0.5 . 1 . . . . . . . . 5748 1 639 . 1 1 57 57 VAL HA H 1 3.330 0.02 . 1 . . . . . . . . 5748 1 640 . 1 1 57 57 VAL CB C 13 31.590 0.5 . 1 . . . . . . . . 5748 1 641 . 1 1 57 57 VAL HB H 1 1.610 0.02 . 1 . . . . . . . . 5748 1 642 . 1 1 57 57 VAL CG2 C 13 20.920 0.5 . 1 . . . . . . . . 5748 1 643 . 1 1 57 57 VAL HG21 H 1 0.300 0.02 . 2 . . . . . . . . 5748 1 644 . 1 1 57 57 VAL HG22 H 1 0.300 0.02 . 2 . . . . . . . . 5748 1 645 . 1 1 57 57 VAL HG23 H 1 0.300 0.02 . 2 . . . . . . . . 5748 1 646 . 1 1 57 57 VAL CG1 C 13 20.920 0.5 . 1 . . . . . . . . 5748 1 647 . 1 1 57 57 VAL HG11 H 1 0.590 0.02 . 2 . . . . . . . . 5748 1 648 . 1 1 57 57 VAL HG12 H 1 0.590 0.02 . 2 . . . . . . . . 5748 1 649 . 1 1 57 57 VAL HG13 H 1 0.590 0.02 . 2 . . . . . . . . 5748 1 650 . 1 1 58 58 SER N N 15 116.380 0.5 . 1 . . . . . . . . 5748 1 651 . 1 1 58 58 SER H H 1 7.820 0.02 . 1 . . . . . . . . 5748 1 652 . 1 1 58 58 SER CA C 13 62.470 0.5 . 1 . . . . . . . . 5748 1 653 . 1 1 58 58 SER HA H 1 4.070 0.02 . 1 . . . . . . . . 5748 1 654 . 1 1 58 58 SER CB C 13 63.820 0.5 . 1 . . . . . . . . 5748 1 655 . 1 1 58 58 SER HB3 H 1 3.690 0.02 . 1 . . . . . . . . 5748 1 656 . 1 1 58 58 SER HB2 H 1 3.690 0.02 . 1 . . . . . . . . 5748 1 657 . 1 1 59 59 VAL N N 15 122.350 0.5 . 1 . . . . . . . . 5748 1 658 . 1 1 59 59 VAL H H 1 7.900 0.02 . 1 . . . . . . . . 5748 1 659 . 1 1 59 59 VAL CA C 13 66.460 0.5 . 1 . . . . . . . . 5748 1 660 . 1 1 59 59 VAL HA H 1 3.060 0.02 . 1 . . . . . . . . 5748 1 661 . 1 1 59 59 VAL CB C 13 30.800 0.5 . 1 . . . . . . . . 5748 1 662 . 1 1 59 59 VAL HB H 1 1.790 0.02 . 1 . . . . . . . . 5748 1 663 . 1 1 59 59 VAL CG2 C 13 19.450 0.5 . 1 . . . . . . . . 5748 1 664 . 1 1 59 59 VAL HG21 H 1 0.240 0.02 . 2 . . . . . . . . 5748 1 665 . 1 1 59 59 VAL HG22 H 1 0.240 0.02 . 2 . . . . . . . . 5748 1 666 . 1 1 59 59 VAL HG23 H 1 0.240 0.02 . 2 . . . . . . . . 5748 1 667 . 1 1 59 59 VAL CG1 C 13 24.070 0.5 . 1 . . . . . . . . 5748 1 668 . 1 1 59 59 VAL HG11 H 1 0.480 0.02 . 2 . . . . . . . . 5748 1 669 . 1 1 59 59 VAL HG12 H 1 0.480 0.02 . 2 . . . . . . . . 5748 1 670 . 1 1 59 59 VAL HG13 H 1 0.480 0.02 . 2 . . . . . . . . 5748 1 671 . 1 1 60 60 LYS N N 15 124.930 0.5 . 1 . . . . . . . . 5748 1 672 . 1 1 60 60 LYS H H 1 8.230 0.02 . 1 . . . . . . . . 5748 1 673 . 1 1 60 60 LYS CA C 13 59.660 0.5 . 1 . . . . . . . . 5748 1 674 . 1 1 60 60 LYS HA H 1 3.600 0.02 . 1 . . . . . . . . 5748 1 675 . 1 1 60 60 LYS CB C 13 32.190 0.5 . 1 . . . . . . . . 5748 1 676 . 1 1 60 60 LYS HB3 H 1 1.300 0.02 . 1 . . . . . . . . 5748 1 677 . 1 1 60 60 LYS HB2 H 1 1.730 0.02 . 1 . . . . . . . . 5748 1 678 . 1 1 60 60 LYS CG C 13 24.740 0.5 . 1 . . . . . . . . 5748 1 679 . 1 1 60 60 LYS HG3 H 1 1.080 0.02 . 1 . . . . . . . . 5748 1 680 . 1 1 60 60 LYS HG2 H 1 1.080 0.02 . 1 . . . . . . . . 5748 1 681 . 1 1 60 60 LYS CD C 13 29.680 0.5 . 1 . . . . . . . . 5748 1 682 . 1 1 60 60 LYS HD3 H 1 1.570 0.02 . 1 . . . . . . . . 5748 1 683 . 1 1 60 60 LYS HD2 H 1 1.570 0.02 . 1 . . . . . . . . 5748 1 684 . 1 1 60 60 LYS CE C 13 42.290 0.5 . 1 . . . . . . . . 5748 1 685 . 1 1 60 60 LYS HE3 H 1 2.980 0.02 . 1 . . . . . . . . 5748 1 686 . 1 1 60 60 LYS HE2 H 1 2.980 0.02 . 1 . . . . . . . . 5748 1 687 . 1 1 61 61 GLU N N 15 118.220 0.5 . 1 . . . . . . . . 5748 1 688 . 1 1 61 61 GLU H H 1 7.710 0.02 . 1 . . . . . . . . 5748 1 689 . 1 1 61 61 GLU CA C 13 58.830 0.5 . 1 . . . . . . . . 5748 1 690 . 1 1 61 61 GLU HA H 1 3.830 0.02 . 1 . . . . . . . . 5748 1 691 . 1 1 61 61 GLU CB C 13 29.490 0.5 . 1 . . . . . . . . 5748 1 692 . 1 1 61 61 GLU HB3 H 1 1.960 0.02 . 1 . . . . . . . . 5748 1 693 . 1 1 61 61 GLU HB2 H 1 2.140 0.02 . 1 . . . . . . . . 5748 1 694 . 1 1 61 61 GLU CG C 13 35.960 0.5 . 1 . . . . . . . . 5748 1 695 . 1 1 61 61 GLU HG3 H 1 2.310 0.02 . 1 . . . . . . . . 5748 1 696 . 1 1 61 61 GLU HG2 H 1 2.310 0.02 . 1 . . . . . . . . 5748 1 697 . 1 1 62 62 ILE N N 15 116.120 0.5 . 1 . . . . . . . . 5748 1 698 . 1 1 62 62 ILE H H 1 6.770 0.02 . 1 . . . . . . . . 5748 1 699 . 1 1 62 62 ILE CA C 13 62.530 0.5 . 1 . . . . . . . . 5748 1 700 . 1 1 62 62 ILE HA H 1 3.760 0.02 . 1 . . . . . . . . 5748 1 701 . 1 1 62 62 ILE CB C 13 38.180 0.5 . 1 . . . . . . . . 5748 1 702 . 1 1 62 62 ILE HB H 1 1.530 0.02 . 1 . . . . . . . . 5748 1 703 . 1 1 62 62 ILE CG1 C 13 28.660 0.5 . 1 . . . . . . . . 5748 1 704 . 1 1 62 62 ILE HG12 H 1 0.960 0.02 . 2 . . . . . . . . 5748 1 705 . 1 1 62 62 ILE CD1 C 13 14.100 0.5 . 1 . . . . . . . . 5748 1 706 . 1 1 62 62 ILE HD11 H 1 0.490 0.02 . 1 . . . . . . . . 5748 1 707 . 1 1 62 62 ILE HD12 H 1 0.490 0.02 . 1 . . . . . . . . 5748 1 708 . 1 1 62 62 ILE HD13 H 1 0.490 0.02 . 1 . . . . . . . . 5748 1 709 . 1 1 62 62 ILE CG2 C 13 17.110 0.5 . 1 . . . . . . . . 5748 1 710 . 1 1 62 62 ILE HG21 H 1 0.550 0.02 . 1 . . . . . . . . 5748 1 711 . 1 1 62 62 ILE HG22 H 1 0.550 0.02 . 1 . . . . . . . . 5748 1 712 . 1 1 62 62 ILE HG23 H 1 0.550 0.02 . 1 . . . . . . . . 5748 1 713 . 1 1 63 63 GLY N N 15 104.270 0.5 . 1 . . . . . . . . 5748 1 714 . 1 1 63 63 GLY H H 1 7.520 0.02 . 1 . . . . . . . . 5748 1 715 . 1 1 63 63 GLY CA C 13 44.830 0.5 . 1 . . . . . . . . 5748 1 716 . 1 1 63 63 GLY HA3 H 1 3.620 0.02 . 1 . . . . . . . . 5748 1 717 . 1 1 63 63 GLY HA2 H 1 4.300 0.02 . 1 . . . . . . . . 5748 1 718 . 1 1 64 64 GLY N N 15 109.970 0.5 . 1 . . . . . . . . 5748 1 719 . 1 1 64 64 GLY H H 1 7.650 0.02 . 1 . . . . . . . . 5748 1 720 . 1 1 64 64 GLY CA C 13 43.490 0.5 . 1 . . . . . . . . 5748 1 721 . 1 1 64 64 GLY HA3 H 1 3.290 0.02 . 1 . . . . . . . . 5748 1 722 . 1 1 64 64 GLY HA2 H 1 4.540 0.02 . 1 . . . . . . . . 5748 1 723 . 1 1 65 65 LEU N N 15 121.680 0.5 . 1 . . . . . . . . 5748 1 724 . 1 1 65 65 LEU H H 1 9.050 0.02 . 1 . . . . . . . . 5748 1 725 . 1 1 65 65 LEU CA C 13 59.850 0.5 . 1 . . . . . . . . 5748 1 726 . 1 1 65 65 LEU HA H 1 3.450 0.02 . 1 . . . . . . . . 5748 1 727 . 1 1 65 65 LEU CB C 13 42.430 0.5 . 1 . . . . . . . . 5748 1 728 . 1 1 65 65 LEU HB3 H 1 1.790 0.02 . 1 . . . . . . . . 5748 1 729 . 1 1 65 65 LEU HB2 H 1 1.900 0.02 . 1 . . . . . . . . 5748 1 730 . 1 1 65 65 LEU CG C 13 27.090 0.5 . 1 . . . . . . . . 5748 1 731 . 1 1 65 65 LEU HG H 1 1.430 0.02 . 1 . . . . . . . . 5748 1 732 . 1 1 65 65 LEU CD1 C 13 25.380 0.5 . 1 . . . . . . . . 5748 1 733 . 1 1 65 65 LEU HD11 H 1 0.980 0.02 . 2 . . . . . . . . 5748 1 734 . 1 1 65 65 LEU HD12 H 1 0.980 0.02 . 2 . . . . . . . . 5748 1 735 . 1 1 65 65 LEU HD13 H 1 0.980 0.02 . 2 . . . . . . . . 5748 1 736 . 1 1 65 65 LEU CD2 C 13 21.250 0.5 . 1 . . . . . . . . 5748 1 737 . 1 1 65 65 LEU HD21 H 1 0.280 0.02 . 2 . . . . . . . . 5748 1 738 . 1 1 65 65 LEU HD22 H 1 0.280 0.02 . 2 . . . . . . . . 5748 1 739 . 1 1 65 65 LEU HD23 H 1 0.280 0.02 . 2 . . . . . . . . 5748 1 740 . 1 1 66 66 THR N N 15 111.120 0.5 . 1 . . . . . . . . 5748 1 741 . 1 1 66 66 THR H H 1 8.960 0.02 . 1 . . . . . . . . 5748 1 742 . 1 1 66 66 THR CA C 13 66.460 0.5 . 1 . . . . . . . . 5748 1 743 . 1 1 66 66 THR HA H 1 3.820 0.02 . 1 . . . . . . . . 5748 1 744 . 1 1 66 66 THR CB C 13 68.060 0.5 . 1 . . . . . . . . 5748 1 745 . 1 1 66 66 THR HB H 1 4.070 0.02 . 1 . . . . . . . . 5748 1 746 . 1 1 66 66 THR CG2 C 13 21.970 0.5 . 1 . . . . . . . . 5748 1 747 . 1 1 66 66 THR HG21 H 1 1.220 0.02 . 1 . . . . . . . . 5748 1 748 . 1 1 66 66 THR HG22 H 1 1.220 0.02 . 1 . . . . . . . . 5748 1 749 . 1 1 66 66 THR HG23 H 1 1.220 0.02 . 1 . . . . . . . . 5748 1 750 . 1 1 67 67 GLN N N 15 119.330 0.5 . 1 . . . . . . . . 5748 1 751 . 1 1 67 67 GLN H H 1 7.210 0.02 . 1 . . . . . . . . 5748 1 752 . 1 1 67 67 GLN CA C 13 57.730 0.5 . 1 . . . . . . . . 5748 1 753 . 1 1 67 67 GLN HA H 1 3.970 0.02 . 1 . . . . . . . . 5748 1 754 . 1 1 67 67 GLN CB C 13 29.210 0.5 . 1 . . . . . . . . 5748 1 755 . 1 1 67 67 GLN HB3 H 1 1.610 0.02 . 1 . . . . . . . . 5748 1 756 . 1 1 67 67 GLN HB2 H 1 1.870 0.02 . 1 . . . . . . . . 5748 1 757 . 1 1 67 67 GLN CG C 13 33.570 0.5 . 1 . . . . . . . . 5748 1 758 . 1 1 67 67 GLN HG3 H 1 2.370 0.02 . 1 . . . . . . . . 5748 1 759 . 1 1 67 67 GLN HG2 H 1 2.210 0.02 . 1 . . . . . . . . 5748 1 760 . 1 1 68 68 VAL N N 15 122.350 0.5 . 1 . . . . . . . . 5748 1 761 . 1 1 68 68 VAL H H 1 7.840 0.02 . 1 . . . . . . . . 5748 1 762 . 1 1 68 68 VAL CA C 13 66.710 0.5 . 1 . . . . . . . . 5748 1 763 . 1 1 68 68 VAL HA H 1 2.920 0.02 . 1 . . . . . . . . 5748 1 764 . 1 1 68 68 VAL CB C 13 30.810 0.5 . 1 . . . . . . . . 5748 1 765 . 1 1 68 68 VAL HB H 1 1.280 0.02 . 1 . . . . . . . . 5748 1 766 . 1 1 68 68 VAL CG2 C 13 19.540 0.5 . 1 . . . . . . . . 5748 1 767 . 1 1 68 68 VAL HG21 H 1 -1.300 0.02 . 2 . . . . . . . . 5748 1 768 . 1 1 68 68 VAL HG22 H 1 -1.300 0.02 . 2 . . . . . . . . 5748 1 769 . 1 1 68 68 VAL HG23 H 1 -1.300 0.02 . 2 . . . . . . . . 5748 1 770 . 1 1 68 68 VAL CG1 C 13 24.140 0.5 . 1 . . . . . . . . 5748 1 771 . 1 1 68 68 VAL HG11 H 1 0.280 0.02 . 2 . . . . . . . . 5748 1 772 . 1 1 68 68 VAL HG12 H 1 0.280 0.02 . 2 . . . . . . . . 5748 1 773 . 1 1 68 68 VAL HG13 H 1 0.280 0.02 . 2 . . . . . . . . 5748 1 774 . 1 1 69 69 ASN N N 15 116.110 0.5 . 1 . . . . . . . . 5748 1 775 . 1 1 69 69 ASN H H 1 8.070 0.02 . 1 . . . . . . . . 5748 1 776 . 1 1 69 69 ASN CA C 13 55.340 0.5 . 1 . . . . . . . . 5748 1 777 . 1 1 69 69 ASN HA H 1 4.560 0.02 . 1 . . . . . . . . 5748 1 778 . 1 1 69 69 ASN CB C 13 37.430 0.5 . 1 . . . . . . . . 5748 1 779 . 1 1 69 69 ASN HB3 H 1 2.880 0.02 . 1 . . . . . . . . 5748 1 780 . 1 1 69 69 ASN HB2 H 1 2.960 0.02 . 1 . . . . . . . . 5748 1 781 . 1 1 70 70 LYS N N 15 121.270 0.5 . 1 . . . . . . . . 5748 1 782 . 1 1 70 70 LYS H H 1 8.250 0.02 . 1 . . . . . . . . 5748 1 783 . 1 1 70 70 LYS CA C 13 59.350 0.5 . 1 . . . . . . . . 5748 1 784 . 1 1 70 70 LYS HA H 1 3.950 0.02 . 1 . . . . . . . . 5748 1 785 . 1 1 70 70 LYS CB C 13 32.930 0.5 . 1 . . . . . . . . 5748 1 786 . 1 1 70 70 LYS HB3 H 1 1.660 0.02 . 1 . . . . . . . . 5748 1 787 . 1 1 70 70 LYS HB2 H 1 1.860 0.02 . 1 . . . . . . . . 5748 1 788 . 1 1 70 70 LYS CG C 13 24.630 0.5 . 1 . . . . . . . . 5748 1 789 . 1 1 70 70 LYS HG3 H 1 1.320 0.02 . 1 . . . . . . . . 5748 1 790 . 1 1 70 70 LYS HG2 H 1 1.320 0.02 . 1 . . . . . . . . 5748 1 791 . 1 1 70 70 LYS CD C 13 29.140 0.5 . 1 . . . . . . . . 5748 1 792 . 1 1 70 70 LYS HD3 H 1 1.590 0.02 . 1 . . . . . . . . 5748 1 793 . 1 1 70 70 LYS HD2 H 1 1.590 0.02 . 1 . . . . . . . . 5748 1 794 . 1 1 70 70 LYS CE C 13 41.830 0.5 . 1 . . . . . . . . 5748 1 795 . 1 1 70 70 LYS HE3 H 1 2.900 0.02 . 1 . . . . . . . . 5748 1 796 . 1 1 70 70 LYS HE2 H 1 2.900 0.02 . 1 . . . . . . . . 5748 1 797 . 1 1 71 71 ASN N N 15 112.680 0.5 . 1 . . . . . . . . 5748 1 798 . 1 1 71 71 ASN H H 1 7.650 0.02 . 1 . . . . . . . . 5748 1 799 . 1 1 71 71 ASN CA C 13 53.370 0.5 . 1 . . . . . . . . 5748 1 800 . 1 1 71 71 ASN HA H 1 4.640 0.02 . 1 . . . . . . . . 5748 1 801 . 1 1 71 71 ASN CB C 13 38.910 0.5 . 1 . . . . . . . . 5748 1 802 . 1 1 71 71 ASN HB3 H 1 2.350 0.02 . 1 . . . . . . . . 5748 1 803 . 1 1 71 71 ASN HB2 H 1 2.760 0.02 . 1 . . . . . . . . 5748 1 804 . 1 1 72 72 LYS N N 15 118.220 0.5 . 1 . . . . . . . . 5748 1 805 . 1 1 72 72 LYS H H 1 7.770 0.02 . 1 . . . . . . . . 5748 1 806 . 1 1 72 72 LYS CA C 13 56.980 0.5 . 1 . . . . . . . . 5748 1 807 . 1 1 72 72 LYS HA H 1 4.050 0.02 . 1 . . . . . . . . 5748 1 808 . 1 1 72 72 LYS CB C 13 29.450 0.5 . 1 . . . . . . . . 5748 1 809 . 1 1 72 72 LYS HB3 H 1 1.870 0.02 . 1 . . . . . . . . 5748 1 810 . 1 1 72 72 LYS HB2 H 1 1.870 0.02 . 1 . . . . . . . . 5748 1 811 . 1 1 72 72 LYS CG C 13 22.710 0.5 . 1 . . . . . . . . 5748 1 812 . 1 1 72 72 LYS HG3 H 1 1.410 0.02 . 1 . . . . . . . . 5748 1 813 . 1 1 72 72 LYS HG2 H 1 1.410 0.02 . 1 . . . . . . . . 5748 1 814 . 1 1 72 72 LYS CD C 13 24.860 0.5 . 1 . . . . . . . . 5748 1 815 . 1 1 72 72 LYS HD3 H 1 1.750 0.02 . 1 . . . . . . . . 5748 1 816 . 1 1 72 72 LYS HD2 H 1 1.920 0.02 . 1 . . . . . . . . 5748 1 817 . 1 1 72 72 LYS CE C 13 42.290 0.5 . 1 . . . . . . . . 5748 1 818 . 1 1 72 72 LYS HE3 H 1 3.010 0.02 . 1 . . . . . . . . 5748 1 819 . 1 1 72 72 LYS HE2 H 1 3.010 0.02 . 1 . . . . . . . . 5748 1 820 . 1 1 73 73 LYS N N 15 114.240 0.5 . 1 . . . . . . . . 5748 1 821 . 1 1 73 73 LYS H H 1 7.430 0.02 . 1 . . . . . . . . 5748 1 822 . 1 1 73 73 LYS CA C 13 55.370 0.5 . 1 . . . . . . . . 5748 1 823 . 1 1 73 73 LYS HA H 1 4.480 0.02 . 1 . . . . . . . . 5748 1 824 . 1 1 73 73 LYS CB C 13 33.970 0.5 . 1 . . . . . . . . 5748 1 825 . 1 1 73 73 LYS HB3 H 1 1.860 0.02 . 1 . . . . . . . . 5748 1 826 . 1 1 73 73 LYS HB2 H 1 1.860 0.02 . 1 . . . . . . . . 5748 1 827 . 1 1 73 73 LYS CG C 13 24.820 0.5 . 1 . . . . . . . . 5748 1 828 . 1 1 73 73 LYS HG3 H 1 1.190 0.02 . 1 . . . . . . . . 5748 1 829 . 1 1 73 73 LYS HG2 H 1 1.310 0.02 . 1 . . . . . . . . 5748 1 830 . 1 1 73 73 LYS CD C 13 28.460 0.5 . 1 . . . . . . . . 5748 1 831 . 1 1 73 73 LYS HD3 H 1 1.510 0.02 . 1 . . . . . . . . 5748 1 832 . 1 1 73 73 LYS HD2 H 1 1.510 0.02 . 1 . . . . . . . . 5748 1 833 . 1 1 73 73 LYS CE C 13 41.640 0.5 . 1 . . . . . . . . 5748 1 834 . 1 1 73 73 LYS HE3 H 1 2.800 0.02 . 1 . . . . . . . . 5748 1 835 . 1 1 73 73 LYS HE2 H 1 2.800 0.02 . 1 . . . . . . . . 5748 1 836 . 1 1 74 74 TRP N N 15 118.720 0.5 . 1 . . . . . . . . 5748 1 837 . 1 1 74 74 TRP H H 1 7.430 0.02 . 1 . . . . . . . . 5748 1 838 . 1 1 74 74 TRP CA C 13 61.160 0.5 . 1 . . . . . . . . 5748 1 839 . 1 1 74 74 TRP HA H 1 4.050 0.02 . 1 . . . . . . . . 5748 1 840 . 1 1 74 74 TRP CB C 13 29.220 0.5 . 1 . . . . . . . . 5748 1 841 . 1 1 74 74 TRP HB3 H 1 3.070 0.02 . 1 . . . . . . . . 5748 1 842 . 1 1 74 74 TRP HB2 H 1 3.390 0.02 . 1 . . . . . . . . 5748 1 843 . 1 1 74 74 TRP HD1 H 1 7.400 0.02 . 1 . . . . . . . . 5748 1 844 . 1 1 74 74 TRP HZ2 H 1 7.290 0.02 . 1 . . . . . . . . 5748 1 845 . 1 1 74 74 TRP HH2 H 1 6.300 0.02 . 1 . . . . . . . . 5748 1 846 . 1 1 74 74 TRP HZ3 H 1 5.730 0.02 . 1 . . . . . . . . 5748 1 847 . 1 1 74 74 TRP HE3 H 1 6.420 0.02 . 1 . . . . . . . . 5748 1 848 . 1 1 75 75 ARG N N 15 119.210 0.5 . 1 . . . . . . . . 5748 1 849 . 1 1 75 75 ARG H H 1 8.310 0.02 . 1 . . . . . . . . 5748 1 850 . 1 1 75 75 ARG CA C 13 59.890 0.5 . 1 . . . . . . . . 5748 1 851 . 1 1 75 75 ARG HA H 1 3.990 0.02 . 1 . . . . . . . . 5748 1 852 . 1 1 75 75 ARG CB C 13 29.550 0.5 . 1 . . . . . . . . 5748 1 853 . 1 1 75 75 ARG HB3 H 1 1.750 0.02 . 1 . . . . . . . . 5748 1 854 . 1 1 75 75 ARG HB2 H 1 1.960 0.02 . 1 . . . . . . . . 5748 1 855 . 1 1 75 75 ARG CG C 13 27.300 0.5 . 1 . . . . . . . . 5748 1 856 . 1 1 75 75 ARG HG3 H 1 1.490 0.02 . 1 . . . . . . . . 5748 1 857 . 1 1 75 75 ARG HG2 H 1 1.490 0.02 . 1 . . . . . . . . 5748 1 858 . 1 1 75 75 ARG CD C 13 43.660 0.5 . 1 . . . . . . . . 5748 1 859 . 1 1 75 75 ARG HD3 H 1 3.110 0.02 . 1 . . . . . . . . 5748 1 860 . 1 1 75 75 ARG HD2 H 1 3.110 0.02 . 1 . . . . . . . . 5748 1 861 . 1 1 76 76 GLU N N 15 123.200 0.5 . 1 . . . . . . . . 5748 1 862 . 1 1 76 76 GLU H H 1 8.160 0.02 . 1 . . . . . . . . 5748 1 863 . 1 1 76 76 GLU CA C 13 59.600 0.5 . 1 . . . . . . . . 5748 1 864 . 1 1 76 76 GLU HA H 1 3.880 0.02 . 1 . . . . . . . . 5748 1 865 . 1 1 76 76 GLU CB C 13 29.730 0.5 . 1 . . . . . . . . 5748 1 866 . 1 1 76 76 GLU HB3 H 1 1.870 0.02 . 1 . . . . . . . . 5748 1 867 . 1 1 76 76 GLU HB2 H 1 2.040 0.02 . 1 . . . . . . . . 5748 1 868 . 1 1 76 76 GLU CG C 13 36.470 0.5 . 1 . . . . . . . . 5748 1 869 . 1 1 76 76 GLU HG3 H 1 2.210 0.02 . 1 . . . . . . . . 5748 1 870 . 1 1 76 76 GLU HG2 H 1 2.210 0.02 . 1 . . . . . . . . 5748 1 871 . 1 1 77 77 LEU N N 15 118.410 0.5 . 1 . . . . . . . . 5748 1 872 . 1 1 77 77 LEU H H 1 7.920 0.02 . 1 . . . . . . . . 5748 1 873 . 1 1 77 77 LEU CA C 13 58.030 0.5 . 1 . . . . . . . . 5748 1 874 . 1 1 77 77 LEU HA H 1 3.870 0.02 . 1 . . . . . . . . 5748 1 875 . 1 1 77 77 LEU CB C 13 42.420 0.5 . 1 . . . . . . . . 5748 1 876 . 1 1 77 77 LEU HB3 H 1 1.410 0.02 . 1 . . . . . . . . 5748 1 877 . 1 1 77 77 LEU HB2 H 1 1.740 0.02 . 1 . . . . . . . . 5748 1 878 . 1 1 77 77 LEU CG C 13 27.290 0.5 . 1 . . . . . . . . 5748 1 879 . 1 1 77 77 LEU HG H 1 1.040 0.02 . 1 . . . . . . . . 5748 1 880 . 1 1 77 77 LEU CD1 C 13 23.890 0.5 . 1 . . . . . . . . 5748 1 881 . 1 1 77 77 LEU HD11 H 1 0.530 0.02 . 2 . . . . . . . . 5748 1 882 . 1 1 77 77 LEU HD12 H 1 0.530 0.02 . 2 . . . . . . . . 5748 1 883 . 1 1 77 77 LEU HD13 H 1 0.530 0.02 . 2 . . . . . . . . 5748 1 884 . 1 1 77 77 LEU CD2 C 13 27.660 0.5 . 1 . . . . . . . . 5748 1 885 . 1 1 77 77 LEU HD21 H 1 0.140 0.02 . 2 . . . . . . . . 5748 1 886 . 1 1 77 77 LEU HD22 H 1 0.140 0.02 . 2 . . . . . . . . 5748 1 887 . 1 1 77 77 LEU HD23 H 1 0.140 0.02 . 2 . . . . . . . . 5748 1 888 . 1 1 78 78 ALA N N 15 120.700 0.5 . 1 . . . . . . . . 5748 1 889 . 1 1 78 78 ALA H H 1 8.330 0.02 . 1 . . . . . . . . 5748 1 890 . 1 1 78 78 ALA CA C 13 55.630 0.5 . 1 . . . . . . . . 5748 1 891 . 1 1 78 78 ALA HA H 1 3.780 0.02 . 1 . . . . . . . . 5748 1 892 . 1 1 78 78 ALA CB C 13 17.040 0.5 . 1 . . . . . . . . 5748 1 893 . 1 1 78 78 ALA HB1 H 1 1.350 0.02 . 1 . . . . . . . . 5748 1 894 . 1 1 78 78 ALA HB2 H 1 1.350 0.02 . 1 . . . . . . . . 5748 1 895 . 1 1 78 78 ALA HB3 H 1 1.350 0.02 . 1 . . . . . . . . 5748 1 896 . 1 1 79 79 THR N N 15 114.340 0.5 . 1 . . . . . . . . 5748 1 897 . 1 1 79 79 THR H H 1 7.930 0.02 . 1 . . . . . . . . 5748 1 898 . 1 1 79 79 THR CA C 13 66.220 0.5 . 1 . . . . . . . . 5748 1 899 . 1 1 79 79 THR HA H 1 3.870 0.02 . 1 . . . . . . . . 5748 1 900 . 1 1 79 79 THR CB C 13 68.840 0.5 . 1 . . . . . . . . 5748 1 901 . 1 1 79 79 THR HB H 1 4.300 0.02 . 1 . . . . . . . . 5748 1 902 . 1 1 79 79 THR CG2 C 13 20.640 0.5 . 1 . . . . . . . . 5748 1 903 . 1 1 79 79 THR HG21 H 1 1.160 0.02 . 1 . . . . . . . . 5748 1 904 . 1 1 79 79 THR HG22 H 1 1.160 0.02 . 1 . . . . . . . . 5748 1 905 . 1 1 79 79 THR HG23 H 1 1.160 0.02 . 1 . . . . . . . . 5748 1 906 . 1 1 80 80 ASN N N 15 122.380 0.5 . 1 . . . . . . . . 5748 1 907 . 1 1 80 80 ASN H H 1 8.380 0.02 . 1 . . . . . . . . 5748 1 908 . 1 1 80 80 ASN CA C 13 55.670 0.5 . 1 . . . . . . . . 5748 1 909 . 1 1 80 80 ASN HA H 1 4.380 0.02 . 1 . . . . . . . . 5748 1 910 . 1 1 80 80 ASN CB C 13 37.940 0.5 . 1 . . . . . . . . 5748 1 911 . 1 1 80 80 ASN HB3 H 1 2.720 0.02 . 1 . . . . . . . . 5748 1 912 . 1 1 80 80 ASN HB2 H 1 2.810 0.02 . 1 . . . . . . . . 5748 1 913 . 1 1 80 80 ASN ND2 N 15 111.960 0.5 . 1 . . . . . . . . 5748 1 914 . 1 1 80 80 ASN HD21 H 1 7.200 0.02 . 2 . . . . . . . . 5748 1 915 . 1 1 80 80 ASN HD22 H 1 6.890 0.02 . 2 . . . . . . . . 5748 1 916 . 1 1 81 81 LEU N N 15 118.470 0.5 . 1 . . . . . . . . 5748 1 917 . 1 1 81 81 LEU H H 1 8.100 0.02 . 1 . . . . . . . . 5748 1 918 . 1 1 81 81 LEU CA C 13 54.830 0.5 . 1 . . . . . . . . 5748 1 919 . 1 1 81 81 LEU HA H 1 4.250 0.02 . 1 . . . . . . . . 5748 1 920 . 1 1 81 81 LEU CB C 13 41.630 0.5 . 1 . . . . . . . . 5748 1 921 . 1 1 81 81 LEU HB3 H 1 1.650 0.02 . 1 . . . . . . . . 5748 1 922 . 1 1 81 81 LEU HB2 H 1 1.710 0.02 . 1 . . . . . . . . 5748 1 923 . 1 1 81 81 LEU CG C 13 26.970 0.5 . 1 . . . . . . . . 5748 1 924 . 1 1 81 81 LEU HG H 1 1.860 0.02 . 1 . . . . . . . . 5748 1 925 . 1 1 81 81 LEU CD1 C 13 23.040 0.5 . 1 . . . . . . . . 5748 1 926 . 1 1 81 81 LEU HD11 H 1 0.680 0.02 . 2 . . . . . . . . 5748 1 927 . 1 1 81 81 LEU HD12 H 1 0.680 0.02 . 2 . . . . . . . . 5748 1 928 . 1 1 81 81 LEU HD13 H 1 0.680 0.02 . 2 . . . . . . . . 5748 1 929 . 1 1 81 81 LEU CD2 C 13 21.640 0.5 . 1 . . . . . . . . 5748 1 930 . 1 1 81 81 LEU HD21 H 1 0.730 0.02 . 2 . . . . . . . . 5748 1 931 . 1 1 81 81 LEU HD22 H 1 0.730 0.02 . 2 . . . . . . . . 5748 1 932 . 1 1 81 81 LEU HD23 H 1 0.730 0.02 . 2 . . . . . . . . 5748 1 933 . 1 1 82 82 ASN N N 15 114.340 0.5 . 1 . . . . . . . . 5748 1 934 . 1 1 82 82 ASN H H 1 7.900 0.02 . 1 . . . . . . . . 5748 1 935 . 1 1 82 82 ASN CA C 13 54.340 0.5 . 1 . . . . . . . . 5748 1 936 . 1 1 82 82 ASN HA H 1 4.520 0.02 . 1 . . . . . . . . 5748 1 937 . 1 1 82 82 ASN CB C 13 37.150 0.5 . 1 . . . . . . . . 5748 1 938 . 1 1 82 82 ASN HB3 H 1 2.780 0.02 . 1 . . . . . . . . 5748 1 939 . 1 1 82 82 ASN HB2 H 1 2.780 0.02 . 1 . . . . . . . . 5748 1 940 . 1 1 83 83 VAL N N 15 109.190 0.5 . 1 . . . . . . . . 5748 1 941 . 1 1 83 83 VAL H H 1 8.130 0.02 . 1 . . . . . . . . 5748 1 942 . 1 1 83 83 VAL CA C 13 61.170 0.5 . 1 . . . . . . . . 5748 1 943 . 1 1 83 83 VAL HA H 1 4.460 0.02 . 1 . . . . . . . . 5748 1 944 . 1 1 83 83 VAL CB C 13 31.590 0.5 . 1 . . . . . . . . 5748 1 945 . 1 1 83 83 VAL HB H 1 2.410 0.02 . 1 . . . . . . . . 5748 1 946 . 1 1 83 83 VAL CG2 C 13 19.960 0.5 . 1 . . . . . . . . 5748 1 947 . 1 1 83 83 VAL HG21 H 1 0.830 0.02 . 2 . . . . . . . . 5748 1 948 . 1 1 83 83 VAL HG22 H 1 0.830 0.02 . 2 . . . . . . . . 5748 1 949 . 1 1 83 83 VAL HG23 H 1 0.830 0.02 . 2 . . . . . . . . 5748 1 950 . 1 1 83 83 VAL CG1 C 13 21.620 0.5 . 1 . . . . . . . . 5748 1 951 . 1 1 83 83 VAL HG11 H 1 0.790 0.02 . 2 . . . . . . . . 5748 1 952 . 1 1 83 83 VAL HG12 H 1 0.790 0.02 . 2 . . . . . . . . 5748 1 953 . 1 1 83 83 VAL HG13 H 1 0.790 0.02 . 2 . . . . . . . . 5748 1 954 . 1 1 84 84 GLY N N 15 108.930 0.5 . 1 . . . . . . . . 5748 1 955 . 1 1 84 84 GLY H H 1 7.490 0.02 . 1 . . . . . . . . 5748 1 956 . 1 1 84 84 GLY CA C 13 44.780 0.5 . 1 . . . . . . . . 5748 1 957 . 1 1 84 84 GLY HA3 H 1 3.720 0.02 . 1 . . . . . . . . 5748 1 958 . 1 1 84 84 GLY HA2 H 1 4.340 0.02 . 1 . . . . . . . . 5748 1 959 . 1 1 85 85 THR N N 15 104.230 0.5 . 1 . . . . . . . . 5748 1 960 . 1 1 85 85 THR H H 1 7.990 0.02 . 1 . . . . . . . . 5748 1 961 . 1 1 85 85 THR CA C 13 60.660 0.5 . 1 . . . . . . . . 5748 1 962 . 1 1 85 85 THR HA H 1 4.540 0.02 . 1 . . . . . . . . 5748 1 963 . 1 1 85 85 THR CB C 13 69.910 0.5 . 1 . . . . . . . . 5748 1 964 . 1 1 85 85 THR HB H 1 4.380 0.02 . 1 . . . . . . . . 5748 1 965 . 1 1 85 85 THR CG2 C 13 21.440 0.5 . 1 . . . . . . . . 5748 1 966 . 1 1 85 85 THR HG21 H 1 1.180 0.02 . 1 . . . . . . . . 5748 1 967 . 1 1 85 85 THR HG22 H 1 1.180 0.02 . 1 . . . . . . . . 5748 1 968 . 1 1 85 85 THR HG23 H 1 1.180 0.02 . 1 . . . . . . . . 5748 1 969 . 1 1 86 86 SER N N 15 116.510 0.5 . 1 . . . . . . . . 5748 1 970 . 1 1 86 86 SER H H 1 7.570 0.02 . 1 . . . . . . . . 5748 1 971 . 1 1 86 86 SER CA C 13 56.940 0.5 . 1 . . . . . . . . 5748 1 972 . 1 1 86 86 SER HA H 1 4.600 0.02 . 1 . . . . . . . . 5748 1 973 . 1 1 86 86 SER CB C 13 66.180 0.5 . 1 . . . . . . . . 5748 1 974 . 1 1 86 86 SER HB3 H 1 3.990 0.02 . 1 . . . . . . . . 5748 1 975 . 1 1 86 86 SER HB2 H 1 4.400 0.02 . 1 . . . . . . . . 5748 1 976 . 1 1 87 87 SER N N 15 117.160 0.5 . 1 . . . . . . . . 5748 1 977 . 1 1 87 87 SER H H 1 9.360 0.02 . 1 . . . . . . . . 5748 1 978 . 1 1 87 87 SER CA C 13 61.730 0.5 . 1 . . . . . . . . 5748 1 979 . 1 1 87 87 SER HA H 1 3.840 0.02 . 1 . . . . . . . . 5748 1 980 . 1 1 87 87 SER CB C 13 69.640 0.5 . 1 . . . . . . . . 5748 1 981 . 1 1 87 87 SER HB3 H 1 3.870 0.02 . 1 . . . . . . . . 5748 1 982 . 1 1 87 87 SER HB2 H 1 3.870 0.02 . 1 . . . . . . . . 5748 1 983 . 1 1 88 88 SER CA C 13 60.940 0.5 . 1 . . . . . . . . 5748 1 984 . 1 1 88 88 SER HA H 1 4.230 0.02 . 1 . . . . . . . . 5748 1 985 . 1 1 88 88 SER CB C 13 62.220 0.5 . 1 . . . . . . . . 5748 1 986 . 1 1 88 88 SER HB3 H 1 3.840 0.02 . 1 . . . . . . . . 5748 1 987 . 1 1 88 88 SER HB2 H 1 3.840 0.02 . 1 . . . . . . . . 5748 1 988 . 1 1 89 89 ALA N N 15 126.660 0.5 . 1 . . . . . . . . 5748 1 989 . 1 1 89 89 ALA H H 1 7.900 0.02 . 1 . . . . . . . . 5748 1 990 . 1 1 89 89 ALA CA C 13 55.340 0.5 . 1 . . . . . . . . 5748 1 991 . 1 1 89 89 ALA HA H 1 3.890 0.02 . 1 . . . . . . . . 5748 1 992 . 1 1 89 89 ALA CB C 13 17.860 0.5 . 1 . . . . . . . . 5748 1 993 . 1 1 89 89 ALA HB1 H 1 1.300 0.02 . 1 . . . . . . . . 5748 1 994 . 1 1 89 89 ALA HB2 H 1 1.300 0.02 . 1 . . . . . . . . 5748 1 995 . 1 1 89 89 ALA HB3 H 1 1.300 0.02 . 1 . . . . . . . . 5748 1 996 . 1 1 90 90 ALA N N 15 118.680 0.5 . 1 . . . . . . . . 5748 1 997 . 1 1 90 90 ALA H H 1 7.530 0.02 . 1 . . . . . . . . 5748 1 998 . 1 1 90 90 ALA CA C 13 55.380 0.5 . 1 . . . . . . . . 5748 1 999 . 1 1 90 90 ALA HA H 1 3.800 0.02 . 1 . . . . . . . . 5748 1 1000 . 1 1 90 90 ALA CB C 13 18.130 0.5 . 1 . . . . . . . . 5748 1 1001 . 1 1 90 90 ALA HB1 H 1 1.390 0.02 . 1 . . . . . . . . 5748 1 1002 . 1 1 90 90 ALA HB2 H 1 1.390 0.02 . 1 . . . . . . . . 5748 1 1003 . 1 1 90 90 ALA HB3 H 1 1.390 0.02 . 1 . . . . . . . . 5748 1 1004 . 1 1 91 91 SER N N 15 112.410 0.5 . 1 . . . . . . . . 5748 1 1005 . 1 1 91 91 SER H H 1 8.030 0.02 . 1 . . . . . . . . 5748 1 1006 . 1 1 91 91 SER CA C 13 61.190 0.5 . 1 . . . . . . . . 5748 1 1007 . 1 1 91 91 SER HA H 1 3.930 0.02 . 1 . . . . . . . . 5748 1 1008 . 1 1 91 91 SER CB C 13 62.480 0.5 . 1 . . . . . . . . 5748 1 1009 . 1 1 91 91 SER HB3 H 1 3.930 0.02 . 1 . . . . . . . . 5748 1 1010 . 1 1 91 91 SER HB2 H 1 3.930 0.02 . 1 . . . . . . . . 5748 1 1011 . 1 1 92 92 SER N N 15 118.660 0.5 . 1 . . . . . . . . 5748 1 1012 . 1 1 92 92 SER H H 1 8.230 0.02 . 1 . . . . . . . . 5748 1 1013 . 1 1 92 92 SER CA C 13 61.690 0.5 . 1 . . . . . . . . 5748 1 1014 . 1 1 92 92 SER HA H 1 4.170 0.02 . 1 . . . . . . . . 5748 1 1015 . 1 1 92 92 SER CB C 13 62.810 0.5 . 1 . . . . . . . . 5748 1 1016 . 1 1 92 92 SER HB3 H 1 3.950 0.02 . 1 . . . . . . . . 5748 1 1017 . 1 1 92 92 SER HB2 H 1 3.950 0.02 . 1 . . . . . . . . 5748 1 1018 . 1 1 93 93 LEU N N 15 122.970 0.5 . 1 . . . . . . . . 5748 1 1019 . 1 1 93 93 LEU H H 1 8.400 0.02 . 1 . . . . . . . . 5748 1 1020 . 1 1 93 93 LEU CA C 13 58.040 0.5 . 1 . . . . . . . . 5748 1 1021 . 1 1 93 93 LEU HA H 1 3.820 0.02 . 1 . . . . . . . . 5748 1 1022 . 1 1 93 93 LEU CB C 13 42.150 0.5 . 1 . . . . . . . . 5748 1 1023 . 1 1 93 93 LEU HB3 H 1 1.410 0.02 . 1 . . . . . . . . 5748 1 1024 . 1 1 93 93 LEU HB2 H 1 2.180 0.02 . 1 . . . . . . . . 5748 1 1025 . 1 1 93 93 LEU CG C 13 26.750 0.5 . 1 . . . . . . . . 5748 1 1026 . 1 1 93 93 LEU HG H 1 1.800 0.02 . 1 . . . . . . . . 5748 1 1027 . 1 1 93 93 LEU CD1 C 13 26.750 0.5 . 1 . . . . . . . . 5748 1 1028 . 1 1 93 93 LEU HD11 H 1 1.000 0.02 . 1 . . . . . . . . 5748 1 1029 . 1 1 93 93 LEU HD12 H 1 1.000 0.02 . 1 . . . . . . . . 5748 1 1030 . 1 1 93 93 LEU HD13 H 1 1.000 0.02 . 1 . . . . . . . . 5748 1 1031 . 1 1 93 93 LEU CD2 C 13 26.750 0.5 . 1 . . . . . . . . 5748 1 1032 . 1 1 93 93 LEU HD21 H 1 1.000 0.02 . 1 . . . . . . . . 5748 1 1033 . 1 1 93 93 LEU HD22 H 1 1.000 0.02 . 1 . . . . . . . . 5748 1 1034 . 1 1 93 93 LEU HD23 H 1 1.000 0.02 . 1 . . . . . . . . 5748 1 1035 . 1 1 94 94 LYS N N 15 119.770 0.5 . 1 . . . . . . . . 5748 1 1036 . 1 1 94 94 LYS H H 1 7.320 0.02 . 1 . . . . . . . . 5748 1 1037 . 1 1 94 94 LYS CA C 13 58.820 0.5 . 1 . . . . . . . . 5748 1 1038 . 1 1 94 94 LYS HA H 1 2.020 0.02 . 1 . . . . . . . . 5748 1 1039 . 1 1 94 94 LYS CB C 13 31.840 0.5 . 1 . . . . . . . . 5748 1 1040 . 1 1 94 94 LYS HB3 H 1 1.220 0.02 . 1 . . . . . . . . 5748 1 1041 . 1 1 94 94 LYS HB2 H 1 1.220 0.02 . 1 . . . . . . . . 5748 1 1042 . 1 1 94 94 LYS CG C 13 24.830 0.5 . 1 . . . . . . . . 5748 1 1043 . 1 1 94 94 LYS HG3 H 1 0.380 0.02 . 1 . . . . . . . . 5748 1 1044 . 1 1 94 94 LYS HG2 H 1 0.670 0.02 . 1 . . . . . . . . 5748 1 1045 . 1 1 94 94 LYS CD C 13 30.230 0.5 . 1 . . . . . . . . 5748 1 1046 . 1 1 94 94 LYS HD3 H 1 1.040 0.02 . 1 . . . . . . . . 5748 1 1047 . 1 1 94 94 LYS HD2 H 1 1.040 0.02 . 1 . . . . . . . . 5748 1 1048 . 1 1 94 94 LYS CE C 13 42.200 0.5 . 1 . . . . . . . . 5748 1 1049 . 1 1 94 94 LYS HE3 H 1 2.700 0.02 . 1 . . . . . . . . 5748 1 1050 . 1 1 94 94 LYS HE2 H 1 2.900 0.02 . 1 . . . . . . . . 5748 1 1051 . 1 1 95 95 LYS N N 15 116.490 0.5 . 1 . . . . . . . . 5748 1 1052 . 1 1 95 95 LYS H H 1 7.430 0.02 . 1 . . . . . . . . 5748 1 1053 . 1 1 95 95 LYS CA C 13 59.880 0.5 . 1 . . . . . . . . 5748 1 1054 . 1 1 95 95 LYS HA H 1 3.780 0.02 . 1 . . . . . . . . 5748 1 1055 . 1 1 95 95 LYS CB C 13 32.130 0.5 . 1 . . . . . . . . 5748 1 1056 . 1 1 95 95 LYS HB3 H 1 1.840 0.02 . 1 . . . . . . . . 5748 1 1057 . 1 1 95 95 LYS HB2 H 1 1.840 0.02 . 1 . . . . . . . . 5748 1 1058 . 1 1 95 95 LYS CG C 13 25.190 0.5 . 1 . . . . . . . . 5748 1 1059 . 1 1 95 95 LYS HG3 H 1 1.290 0.02 . 1 . . . . . . . . 5748 1 1060 . 1 1 95 95 LYS HG2 H 1 1.290 0.02 . 1 . . . . . . . . 5748 1 1061 . 1 1 95 95 LYS CD C 13 29.150 0.5 . 1 . . . . . . . . 5748 1 1062 . 1 1 95 95 LYS HD3 H 1 1.590 0.02 . 1 . . . . . . . . 5748 1 1063 . 1 1 95 95 LYS HD2 H 1 1.590 0.02 . 1 . . . . . . . . 5748 1 1064 . 1 1 95 95 LYS CE C 13 42.110 0.5 . 1 . . . . . . . . 5748 1 1065 . 1 1 95 95 LYS HE3 H 1 2.860 0.02 . 1 . . . . . . . . 5748 1 1066 . 1 1 95 95 LYS HE2 H 1 2.860 0.02 . 1 . . . . . . . . 5748 1 1067 . 1 1 96 96 GLN N N 15 116.280 0.5 . 1 . . . . . . . . 5748 1 1068 . 1 1 96 96 GLN H H 1 8.170 0.02 . 1 . . . . . . . . 5748 1 1069 . 1 1 96 96 GLN CA C 13 57.890 0.5 . 1 . . . . . . . . 5748 1 1070 . 1 1 96 96 GLN HA H 1 4.620 0.02 . 1 . . . . . . . . 5748 1 1071 . 1 1 96 96 GLN CB C 13 28.450 0.5 . 1 . . . . . . . . 5748 1 1072 . 1 1 96 96 GLN HB3 H 1 1.860 0.02 . 1 . . . . . . . . 5748 1 1073 . 1 1 96 96 GLN HB2 H 1 2.020 0.02 . 1 . . . . . . . . 5748 1 1074 . 1 1 96 96 GLN CG C 13 32.020 0.5 . 1 . . . . . . . . 5748 1 1075 . 1 1 96 96 GLN HG3 H 1 2.250 0.02 . 1 . . . . . . . . 5748 1 1076 . 1 1 96 96 GLN HG2 H 1 2.570 0.02 . 1 . . . . . . . . 5748 1 1077 . 1 1 97 97 TYR N N 15 121.930 0.5 . 1 . . . . . . . . 5748 1 1078 . 1 1 97 97 TYR H H 1 8.960 0.02 . 1 . . . . . . . . 5748 1 1079 . 1 1 97 97 TYR CA C 13 63.820 0.5 . 1 . . . . . . . . 5748 1 1080 . 1 1 97 97 TYR HA H 1 3.700 0.02 . 1 . . . . . . . . 5748 1 1081 . 1 1 97 97 TYR CB C 13 39.520 0.5 . 1 . . . . . . . . 5748 1 1082 . 1 1 97 97 TYR HB3 H 1 3.010 0.02 . 1 . . . . . . . . 5748 1 1083 . 1 1 97 97 TYR HB2 H 1 3.340 0.02 . 1 . . . . . . . . 5748 1 1084 . 1 1 97 97 TYR HD1 H 1 6.950 0.02 . 1 . . . . . . . . 5748 1 1085 . 1 1 97 97 TYR HE1 H 1 6.760 0.02 . 1 . . . . . . . . 5748 1 1086 . 1 1 97 97 TYR HE2 H 1 6.760 0.02 . 1 . . . . . . . . 5748 1 1087 . 1 1 97 97 TYR HD2 H 1 6.950 0.02 . 1 . . . . . . . . 5748 1 1088 . 1 1 98 98 ILE N N 15 121.230 0.5 . 1 . . . . . . . . 5748 1 1089 . 1 1 98 98 ILE H H 1 8.620 0.02 . 1 . . . . . . . . 5748 1 1090 . 1 1 98 98 ILE CA C 13 66.500 0.5 . 1 . . . . . . . . 5748 1 1091 . 1 1 98 98 ILE HA H 1 3.700 0.02 . 1 . . . . . . . . 5748 1 1092 . 1 1 98 98 ILE CB C 13 39.190 0.5 . 1 . . . . . . . . 5748 1 1093 . 1 1 98 98 ILE HB H 1 1.960 0.02 . 1 . . . . . . . . 5748 1 1094 . 1 1 98 98 ILE CG1 C 13 30.650 0.5 . 1 . . . . . . . . 5748 1 1095 . 1 1 98 98 ILE HG12 H 1 0.800 0.02 . 2 . . . . . . . . 5748 1 1096 . 1 1 98 98 ILE CD1 C 13 13.800 0.5 . 1 . . . . . . . . 5748 1 1097 . 1 1 98 98 ILE HD11 H 1 0.730 0.02 . 1 . . . . . . . . 5748 1 1098 . 1 1 98 98 ILE HD12 H 1 0.730 0.02 . 1 . . . . . . . . 5748 1 1099 . 1 1 98 98 ILE HD13 H 1 0.730 0.02 . 1 . . . . . . . . 5748 1 1100 . 1 1 98 98 ILE CG2 C 13 17.210 0.5 . 1 . . . . . . . . 5748 1 1101 . 1 1 98 98 ILE HG21 H 1 0.850 0.02 . 1 . . . . . . . . 5748 1 1102 . 1 1 98 98 ILE HG22 H 1 0.850 0.02 . 1 . . . . . . . . 5748 1 1103 . 1 1 98 98 ILE HG23 H 1 0.850 0.02 . 1 . . . . . . . . 5748 1 1104 . 1 1 99 99 GLN N N 15 116.100 0.5 . 1 . . . . . . . . 5748 1 1105 . 1 1 99 99 GLN H H 1 8.540 0.02 . 1 . . . . . . . . 5748 1 1106 . 1 1 99 99 GLN CA C 13 58.810 0.5 . 1 . . . . . . . . 5748 1 1107 . 1 1 99 99 GLN HA H 1 4.210 0.02 . 1 . . . . . . . . 5748 1 1108 . 1 1 99 99 GLN CB C 13 29.500 0.5 . 1 . . . . . . . . 5748 1 1109 . 1 1 99 99 GLN HB3 H 1 2.210 0.02 . 1 . . . . . . . . 5748 1 1110 . 1 1 99 99 GLN HB2 H 1 2.210 0.02 . 1 . . . . . . . . 5748 1 1111 . 1 1 99 99 GLN CG C 13 34.080 0.5 . 1 . . . . . . . . 5748 1 1112 . 1 1 99 99 GLN HG3 H 1 2.530 0.02 . 1 . . . . . . . . 5748 1 1113 . 1 1 99 99 GLN HG2 H 1 2.530 0.02 . 1 . . . . . . . . 5748 1 1114 . 1 1 100 100 CYS N N 15 109.800 0.5 . 1 . . . . . . . . 5748 1 1115 . 1 1 100 100 CYS H H 1 8.590 0.02 . 1 . . . . . . . . 5748 1 1116 . 1 1 100 100 CYS CA C 13 61.190 0.5 . 1 . . . . . . . . 5748 1 1117 . 1 1 100 100 CYS HA H 1 4.600 0.02 . 1 . . . . . . . . 5748 1 1118 . 1 1 100 100 CYS CB C 13 29.730 0.5 . 1 . . . . . . . . 5748 1 1119 . 1 1 100 100 CYS HB3 H 1 2.920 0.02 . 1 . . . . . . . . 5748 1 1120 . 1 1 100 100 CYS HB2 H 1 2.920 0.02 . 1 . . . . . . . . 5748 1 1121 . 1 1 101 101 LEU N N 15 119.790 0.5 . 1 . . . . . . . . 5748 1 1122 . 1 1 101 101 LEU H H 1 8.790 0.02 . 1 . . . . . . . . 5748 1 1123 . 1 1 101 101 LEU CA C 13 55.900 0.5 . 1 . . . . . . . . 5748 1 1124 . 1 1 101 101 LEU HA H 1 4.630 0.02 . 1 . . . . . . . . 5748 1 1125 . 1 1 101 101 LEU CB C 13 45.590 0.5 . 1 . . . . . . . . 5748 1 1126 . 1 1 101 101 LEU CG C 13 27.520 0.5 . 1 . . . . . . . . 5748 1 1127 . 1 1 101 101 LEU HG H 1 1.380 0.02 . 1 . . . . . . . . 5748 1 1128 . 1 1 101 101 LEU CD1 C 13 23.830 0.5 . 1 . . . . . . . . 5748 1 1129 . 1 1 101 101 LEU HD11 H 1 1.120 0.02 . 2 . . . . . . . . 5748 1 1130 . 1 1 101 101 LEU HD12 H 1 1.120 0.02 . 2 . . . . . . . . 5748 1 1131 . 1 1 101 101 LEU HD13 H 1 1.120 0.02 . 2 . . . . . . . . 5748 1 1132 . 1 1 101 101 LEU CD2 C 13 27.500 0.5 . 1 . . . . . . . . 5748 1 1133 . 1 1 101 101 LEU HD21 H 1 0.950 0.02 . 2 . . . . . . . . 5748 1 1134 . 1 1 101 101 LEU HD22 H 1 0.950 0.02 . 2 . . . . . . . . 5748 1 1135 . 1 1 101 101 LEU HD23 H 1 0.950 0.02 . 2 . . . . . . . . 5748 1 1136 . 1 1 102 102 TYR N N 15 120.210 0.5 . 1 . . . . . . . . 5748 1 1137 . 1 1 102 102 TYR H H 1 7.760 0.02 . 1 . . . . . . . . 5748 1 1138 . 1 1 102 102 TYR CA C 13 62.250 0.5 . 1 . . . . . . . . 5748 1 1139 . 1 1 102 102 TYR HA H 1 4.690 0.02 . 1 . . . . . . . . 5748 1 1140 . 1 1 102 102 TYR CB C 13 39.760 0.5 . 1 . . . . . . . . 5748 1 1141 . 1 1 102 102 TYR HB3 H 1 3.340 0.02 . 1 . . . . . . . . 5748 1 1142 . 1 1 102 102 TYR HB2 H 1 3.340 0.02 . 1 . . . . . . . . 5748 1 1143 . 1 1 102 102 TYR HD1 H 1 7.270 0.02 . 1 . . . . . . . . 5748 1 1144 . 1 1 102 102 TYR HE1 H 1 6.790 0.02 . 1 . . . . . . . . 5748 1 1145 . 1 1 102 102 TYR HE2 H 1 6.790 0.02 . 1 . . . . . . . . 5748 1 1146 . 1 1 102 102 TYR HD2 H 1 7.270 0.02 . 1 . . . . . . . . 5748 1 1147 . 1 1 103 103 ALA N N 15 121.890 0.5 . 1 . . . . . . . . 5748 1 1148 . 1 1 103 103 ALA H H 1 9.420 0.02 . 1 . . . . . . . . 5748 1 1149 . 1 1 103 103 ALA CA C 13 56.400 0.5 . 1 . . . . . . . . 5748 1 1150 . 1 1 103 103 ALA HA H 1 3.840 0.02 . 1 . . . . . . . . 5748 1 1151 . 1 1 103 103 ALA CB C 13 17.080 0.5 . 1 . . . . . . . . 5748 1 1152 . 1 1 103 103 ALA HB1 H 1 1.650 0.02 . 1 . . . . . . . . 5748 1 1153 . 1 1 103 103 ALA HB2 H 1 1.650 0.02 . 1 . . . . . . . . 5748 1 1154 . 1 1 103 103 ALA HB3 H 1 1.650 0.02 . 1 . . . . . . . . 5748 1 1155 . 1 1 104 104 PHE N N 15 121.700 0.5 . 1 . . . . . . . . 5748 1 1156 . 1 1 104 104 PHE H H 1 8.320 0.02 . 1 . . . . . . . . 5748 1 1157 . 1 1 104 104 PHE CA C 13 61.450 0.5 . 1 . . . . . . . . 5748 1 1158 . 1 1 104 104 PHE HA H 1 4.600 0.02 . 1 . . . . . . . . 5748 1 1159 . 1 1 104 104 PHE CB C 13 38.460 0.5 . 1 . . . . . . . . 5748 1 1160 . 1 1 104 104 PHE HB3 H 1 2.880 0.02 . 1 . . . . . . . . 5748 1 1161 . 1 1 104 104 PHE HB2 H 1 3.150 0.02 . 1 . . . . . . . . 5748 1 1162 . 1 1 105 105 GLU N N 15 120.180 0.5 . 1 . . . . . . . . 5748 1 1163 . 1 1 105 105 GLU H H 1 8.870 0.02 . 1 . . . . . . . . 5748 1 1164 . 1 1 105 105 GLU CA C 13 59.070 0.5 . 1 . . . . . . . . 5748 1 1165 . 1 1 105 105 GLU HA H 1 4.600 0.02 . 1 . . . . . . . . 5748 1 1166 . 1 1 105 105 GLU CB C 13 29.740 0.5 . 1 . . . . . . . . 5748 1 1167 . 1 1 105 105 GLU HB3 H 1 2.060 0.02 . 1 . . . . . . . . 5748 1 1168 . 1 1 105 105 GLU HB2 H 1 2.060 0.02 . 1 . . . . . . . . 5748 1 1169 . 1 1 105 105 GLU CG C 13 35.840 0.5 . 1 . . . . . . . . 5748 1 1170 . 1 1 105 105 GLU HG3 H 1 2.820 0.02 . 1 . . . . . . . . 5748 1 1171 . 1 1 105 105 GLU HG2 H 1 2.820 0.02 . 1 . . . . . . . . 5748 1 1172 . 1 1 106 106 CYS N N 15 114.570 0.5 . 1 . . . . . . . . 5748 1 1173 . 1 1 106 106 CYS H H 1 8.110 0.02 . 1 . . . . . . . . 5748 1 1174 . 1 1 106 106 CYS CA C 13 63.580 0.5 . 1 . . . . . . . . 5748 1 1175 . 1 1 106 106 CYS HA H 1 3.810 0.02 . 1 . . . . . . . . 5748 1 1176 . 1 1 106 106 CYS CB C 13 26.850 0.5 . 1 . . . . . . . . 5748 1 1177 . 1 1 106 106 CYS HB3 H 1 2.540 0.02 . 1 . . . . . . . . 5748 1 1178 . 1 1 106 106 CYS HB2 H 1 2.830 0.02 . 1 . . . . . . . . 5748 1 1179 . 1 1 107 107 LYS N N 15 120.190 0.5 . 1 . . . . . . . . 5748 1 1180 . 1 1 107 107 LYS H H 1 7.700 0.02 . 1 . . . . . . . . 5748 1 1181 . 1 1 107 107 LYS CA C 13 58.790 0.5 . 1 . . . . . . . . 5748 1 1182 . 1 1 107 107 LYS HA H 1 4.050 0.02 . 1 . . . . . . . . 5748 1 1183 . 1 1 107 107 LYS CB C 13 32.380 0.5 . 1 . . . . . . . . 5748 1 1184 . 1 1 107 107 LYS HB3 H 1 1.940 0.02 . 1 . . . . . . . . 5748 1 1185 . 1 1 107 107 LYS HB2 H 1 1.940 0.02 . 1 . . . . . . . . 5748 1 1186 . 1 1 107 107 LYS CG C 13 24.170 0.5 . 1 . . . . . . . . 5748 1 1187 . 1 1 107 107 LYS HG3 H 1 1.220 0.02 . 1 . . . . . . . . 5748 1 1188 . 1 1 107 107 LYS HG2 H 1 1.370 0.02 . 1 . . . . . . . . 5748 1 1189 . 1 1 107 107 LYS CD C 13 28.530 0.5 . 1 . . . . . . . . 5748 1 1190 . 1 1 107 107 LYS HD3 H 1 1.510 0.02 . 1 . . . . . . . . 5748 1 1191 . 1 1 107 107 LYS HD2 H 1 1.670 0.02 . 1 . . . . . . . . 5748 1 1192 . 1 1 107 107 LYS CE C 13 42.060 0.5 . 1 . . . . . . . . 5748 1 1193 . 1 1 107 107 LYS HE3 H 1 2.860 0.02 . 1 . . . . . . . . 5748 1 1194 . 1 1 107 107 LYS HE2 H 1 2.860 0.02 . 1 . . . . . . . . 5748 1 1195 . 1 1 108 108 ILE N N 15 117.410 0.5 . 1 . . . . . . . . 5748 1 1196 . 1 1 108 108 ILE H H 1 8.680 0.02 . 1 . . . . . . . . 5748 1 1197 . 1 1 108 108 ILE CA C 13 62.510 0.5 . 1 . . . . . . . . 5748 1 1198 . 1 1 108 108 ILE HA H 1 3.700 0.02 . 1 . . . . . . . . 5748 1 1199 . 1 1 108 108 ILE CB C 13 36.840 0.5 . 1 . . . . . . . . 5748 1 1200 . 1 1 108 108 ILE HB H 1 1.490 0.02 . 1 . . . . . . . . 5748 1 1201 . 1 1 108 108 ILE CG1 C 13 26.430 0.5 . 1 . . . . . . . . 5748 1 1202 . 1 1 108 108 ILE HG13 H 1 0.330 0.02 . 1 . . . . . . . . 5748 1 1203 . 1 1 108 108 ILE HG12 H 1 0.490 0.02 . 1 . . . . . . . . 5748 1 1204 . 1 1 108 108 ILE CD1 C 13 12.300 0.5 . 1 . . . . . . . . 5748 1 1205 . 1 1 108 108 ILE HD11 H 1 0.180 0.02 . 1 . . . . . . . . 5748 1 1206 . 1 1 108 108 ILE HD12 H 1 0.180 0.02 . 1 . . . . . . . . 5748 1 1207 . 1 1 108 108 ILE HD13 H 1 0.180 0.02 . 1 . . . . . . . . 5748 1 1208 . 1 1 108 108 ILE CG2 C 13 17.470 0.5 . 1 . . . . . . . . 5748 1 1209 . 1 1 108 108 ILE HG21 H 1 0.340 0.02 . 1 . . . . . . . . 5748 1 1210 . 1 1 108 108 ILE HG22 H 1 0.340 0.02 . 1 . . . . . . . . 5748 1 1211 . 1 1 108 108 ILE HG23 H 1 0.340 0.02 . 1 . . . . . . . . 5748 1 1212 . 1 1 109 109 GLU N N 15 115.380 0.5 . 1 . . . . . . . . 5748 1 1213 . 1 1 109 109 GLU H H 1 8.430 0.02 . 1 . . . . . . . . 5748 1 1214 . 1 1 109 109 GLU CA C 13 56.660 0.5 . 1 . . . . . . . . 5748 1 1215 . 1 1 109 109 GLU HA H 1 4.500 0.02 . 1 . . . . . . . . 5748 1 1216 . 1 1 109 109 GLU CB C 13 28.850 0.5 . 1 . . . . . . . . 5748 1 1217 . 1 1 109 109 GLU HB3 H 1 2.450 0.02 . 1 . . . . . . . . 5748 1 1218 . 1 1 109 109 GLU HB2 H 1 2.450 0.02 . 1 . . . . . . . . 5748 1 1219 . 1 1 109 109 GLU CG C 13 34.670 0.5 . 1 . . . . . . . . 5748 1 1220 . 1 1 109 109 GLU HG3 H 1 2.660 0.02 . 1 . . . . . . . . 5748 1 1221 . 1 1 109 109 GLU HG2 H 1 2.660 0.02 . 1 . . . . . . . . 5748 1 1222 . 1 1 110 110 ARG N N 15 113.030 0.5 . 1 . . . . . . . . 5748 1 1223 . 1 1 110 110 ARG H H 1 6.700 0.02 . 1 . . . . . . . . 5748 1 1224 . 1 1 110 110 ARG CA C 13 55.880 0.5 . 1 . . . . . . . . 5748 1 1225 . 1 1 110 110 ARG HA H 1 4.620 0.02 . 1 . . . . . . . . 5748 1 1226 . 1 1 110 110 ARG CB C 13 33.190 0.5 . 1 . . . . . . . . 5748 1 1227 . 1 1 110 110 ARG HB3 H 1 1.870 0.02 . 1 . . . . . . . . 5748 1 1228 . 1 1 110 110 ARG HB2 H 1 1.950 0.02 . 1 . . . . . . . . 5748 1 1229 . 1 1 110 110 ARG CG C 13 28.290 0.5 . 1 . . . . . . . . 5748 1 1230 . 1 1 110 110 ARG HG3 H 1 1.510 0.02 . 1 . . . . . . . . 5748 1 1231 . 1 1 110 110 ARG HG2 H 1 1.510 0.02 . 1 . . . . . . . . 5748 1 1232 . 1 1 110 110 ARG CD C 13 42.830 0.5 . 1 . . . . . . . . 5748 1 1233 . 1 1 110 110 ARG HD3 H 1 3.110 0.02 . 1 . . . . . . . . 5748 1 1234 . 1 1 110 110 ARG HD2 H 1 3.370 0.02 . 1 . . . . . . . . 5748 1 1235 . 1 1 111 111 GLY N N 15 110.290 0.5 . 1 . . . . . . . . 5748 1 1236 . 1 1 111 111 GLY H H 1 7.680 0.02 . 1 . . . . . . . . 5748 1 1237 . 1 1 111 111 GLY CA C 13 46.900 0.5 . 1 . . . . . . . . 5748 1 1238 . 1 1 111 111 GLY HA3 H 1 3.930 0.02 . 1 . . . . . . . . 5748 1 1239 . 1 1 111 111 GLY HA2 H 1 3.930 0.02 . 1 . . . . . . . . 5748 1 1240 . 1 1 112 112 GLU N N 15 121.260 0.5 . 1 . . . . . . . . 5748 1 1241 . 1 1 112 112 GLU H H 1 7.670 0.02 . 1 . . . . . . . . 5748 1 1242 . 1 1 112 112 GLU CA C 13 55.140 0.5 . 1 . . . . . . . . 5748 1 1243 . 1 1 112 112 GLU HA H 1 4.170 0.02 . 1 . . . . . . . . 5748 1 1244 . 1 1 112 112 GLU CB C 13 31.090 0.5 . 1 . . . . . . . . 5748 1 1245 . 1 1 112 112 GLU HB3 H 1 1.670 0.02 . 1 . . . . . . . . 5748 1 1246 . 1 1 112 112 GLU HB2 H 1 1.670 0.02 . 1 . . . . . . . . 5748 1 1247 . 1 1 112 112 GLU CG C 13 35.700 0.5 . 1 . . . . . . . . 5748 1 1248 . 1 1 112 112 GLU HG3 H 1 2.080 0.02 . 1 . . . . . . . . 5748 1 1249 . 1 1 112 112 GLU HG2 H 1 2.080 0.02 . 1 . . . . . . . . 5748 1 1250 . 1 1 113 113 ASP N N 15 122.760 0.5 . 1 . . . . . . . . 5748 1 1251 . 1 1 113 113 ASP H H 1 7.990 0.02 . 1 . . . . . . . . 5748 1 1252 . 1 1 113 113 ASP CA C 13 51.680 0.5 . 1 . . . . . . . . 5748 1 1253 . 1 1 113 113 ASP HA H 1 4.220 0.02 . 1 . . . . . . . . 5748 1 1254 . 1 1 113 113 ASP CB C 13 42.440 0.5 . 1 . . . . . . . . 5748 1 1255 . 1 1 113 113 ASP HB3 H 1 2.400 0.02 . 1 . . . . . . . . 5748 1 1256 . 1 1 113 113 ASP HB2 H 1 2.710 0.02 . 1 . . . . . . . . 5748 1 1257 . 1 1 116 116 PRO CA C 13 63.820 0.5 . 1 . . . . . . . . 5748 1 1258 . 1 1 116 116 PRO HA H 1 4.380 0.02 . 1 . . . . . . . . 5748 1 1259 . 1 1 116 116 PRO CB C 13 32.130 0.5 . 1 . . . . . . . . 5748 1 1260 . 1 1 116 116 PRO HB3 H 1 2.330 0.02 . 1 . . . . . . . . 5748 1 1261 . 1 1 116 116 PRO HB2 H 1 2.330 0.02 . 1 . . . . . . . . 5748 1 1262 . 1 1 116 116 PRO CG C 13 27.330 0.5 . 1 . . . . . . . . 5748 1 1263 . 1 1 116 116 PRO HG3 H 1 2.040 0.02 . 1 . . . . . . . . 5748 1 1264 . 1 1 116 116 PRO HG2 H 1 2.040 0.02 . 1 . . . . . . . . 5748 1 1265 . 1 1 116 116 PRO CD C 13 50.330 0.5 . 1 . . . . . . . . 5748 1 1266 . 1 1 116 116 PRO HD3 H 1 3.620 0.02 . 1 . . . . . . . . 5748 1 1267 . 1 1 116 116 PRO HD2 H 1 3.760 0.02 . 1 . . . . . . . . 5748 1 1268 . 1 1 117 117 ASP N N 15 117.180 0.5 . 1 . . . . . . . . 5748 1 1269 . 1 1 117 117 ASP H H 1 8.360 0.02 . 1 . . . . . . . . 5748 1 1270 . 1 1 117 117 ASP CA C 13 54.820 0.5 . 1 . . . . . . . . 5748 1 1271 . 1 1 117 117 ASP HA H 1 4.600 0.02 . 1 . . . . . . . . 5748 1 1272 . 1 1 117 117 ASP CB C 13 40.600 0.5 . 1 . . . . . . . . 5748 1 1273 . 1 1 117 117 ASP HB3 H 1 2.680 0.02 . 1 . . . . . . . . 5748 1 1274 . 1 1 117 117 ASP HB2 H 1 2.680 0.02 . 1 . . . . . . . . 5748 1 1275 . 1 1 118 118 ILE N N 15 120.380 0.5 . 1 . . . . . . . . 5748 1 1276 . 1 1 118 118 ILE H H 1 7.670 0.02 . 1 . . . . . . . . 5748 1 1277 . 1 1 118 118 ILE CA C 13 62.500 0.5 . 1 . . . . . . . . 5748 1 1278 . 1 1 118 118 ILE HA H 1 3.950 0.02 . 1 . . . . . . . . 5748 1 1279 . 1 1 118 118 ILE CB C 13 39.240 0.5 . 1 . . . . . . . . 5748 1 1280 . 1 1 118 118 ILE HB H 1 1.710 0.02 . 1 . . . . . . . . 5748 1 1281 . 1 1 118 118 ILE CG1 C 13 27.360 0.5 . 1 . . . . . . . . 5748 1 1282 . 1 1 118 118 ILE HG12 H 1 1.060 0.02 . 2 . . . . . . . . 5748 1 1283 . 1 1 118 118 ILE CD1 C 13 12.970 0.5 . 1 . . . . . . . . 5748 1 1284 . 1 1 118 118 ILE HD11 H 1 0.690 0.02 . 1 . . . . . . . . 5748 1 1285 . 1 1 118 118 ILE HD12 H 1 0.690 0.02 . 1 . . . . . . . . 5748 1 1286 . 1 1 118 118 ILE HD13 H 1 0.690 0.02 . 1 . . . . . . . . 5748 1 1287 . 1 1 118 118 ILE CG2 C 13 17.200 0.5 . 1 . . . . . . . . 5748 1 1288 . 1 1 118 118 ILE HG21 H 1 0.520 0.02 . 1 . . . . . . . . 5748 1 1289 . 1 1 118 118 ILE HG22 H 1 0.520 0.02 . 1 . . . . . . . . 5748 1 1290 . 1 1 118 118 ILE HG23 H 1 0.520 0.02 . 1 . . . . . . . . 5748 1 1291 . 1 1 119 119 PHE N N 15 120.020 0.5 . 1 . . . . . . . . 5748 1 1292 . 1 1 119 119 PHE H H 1 7.830 0.02 . 1 . . . . . . . . 5748 1 1293 . 1 1 119 119 PHE CA C 13 57.780 0.5 . 1 . . . . . . . . 5748 1 1294 . 1 1 119 119 PHE HA H 1 4.520 0.02 . 1 . . . . . . . . 5748 1 1295 . 1 1 119 119 PHE CB C 13 39.520 0.5 . 1 . . . . . . . . 5748 1 1296 . 1 1 119 119 PHE HB3 H 1 2.860 0.02 . 1 . . . . . . . . 5748 1 1297 . 1 1 119 119 PHE HB2 H 1 3.130 0.02 . 1 . . . . . . . . 5748 1 1298 . 1 1 119 119 PHE HD1 H 1 7.220 0.02 . 1 . . . . . . . . 5748 1 1299 . 1 1 119 119 PHE HE1 H 1 6.770 0.02 . 1 . . . . . . . . 5748 1 1300 . 1 1 119 119 PHE HZ H 1 6.510 0.02 . 1 . . . . . . . . 5748 1 1301 . 1 1 119 119 PHE HE2 H 1 6.770 0.02 . 1 . . . . . . . . 5748 1 1302 . 1 1 119 119 PHE HD2 H 1 7.220 0.02 . 1 . . . . . . . . 5748 1 1303 . 1 1 120 120 ALA N N 15 123.760 0.5 . 1 . . . . . . . . 5748 1 1304 . 1 1 120 120 ALA H H 1 7.890 0.02 . 1 . . . . . . . . 5748 1 1305 . 1 1 120 120 ALA CA C 13 52.500 0.5 . 1 . . . . . . . . 5748 1 1306 . 1 1 120 120 ALA HA H 1 4.150 0.02 . 1 . . . . . . . . 5748 1 1307 . 1 1 120 120 ALA CB C 13 19.210 0.5 . 1 . . . . . . . . 5748 1 1308 . 1 1 120 120 ALA HB1 H 1 1.240 0.02 . 1 . . . . . . . . 5748 1 1309 . 1 1 120 120 ALA HB2 H 1 1.240 0.02 . 1 . . . . . . . . 5748 1 1310 . 1 1 120 120 ALA HB3 H 1 1.240 0.02 . 1 . . . . . . . . 5748 1 stop_ save_