data_25567 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25567 _Entry.Title ; NMR structure of the apo-form of the flavoprotein YP_193882.1 from Lactobacillus acidophilus NCFM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-08 _Entry.Accession_date 2015-04-08 _Entry.Last_release_date 2015-04-20 _Entry.Original_release_date 2015-04-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samit Dutta . K. . 25567 2 Pedro Serrano . . . 25567 3 Michael Geralt . . . 25567 4 Kurt Wuthrich . . . 25567 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 25567 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Flavodoxin 4' . 25567 'human gut microbiome secreted protein' . 25567 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25567 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 551 25567 '15N chemical shifts' 140 25567 '1H chemical shifts' 945 25567 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 . . 2015-04-20 . original BMRB . 25567 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N1M 'BMRB Entry Tracking System' 25567 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25567 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of the apo-form of the flavoprotein YP_193882.1 from Lactobacillus acidophilus NCFM ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 25567 1 2 Pedro Serrano . . . 25567 1 3 Michael Geralt . . . 25567 1 4 Kurt Wuthrich . . . 25567 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25567 _Assembly.ID 1 _Assembly.Name YP_193882.1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25567 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25567 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMAKKTLILYYSWSGETKKM AEKINSEIKDSELKEVKVSE GTFDADMYKTSDIALDQIQG NKDFPEIQLDNIDYNNYDLI LIGSPVWSGYPATPIKTLLD QMKNYRGEVASFFTSAGTNH KAYVSHFNEWADGLNVIGVA RDDSEVDKWSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17079.189 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25342 . entity . . . . . 100.00 151 100.00 100.00 3.07e-105 . . . . 25567 1 2 no PDB 2MWM . "Nmr Structure Of The Protein Yp_193882.1 From Lactobacillus Acidophilus Ncfm In Presence Of Fmn" . . . . . 100.00 151 100.00 100.00 3.07e-105 . . . . 25567 1 3 no PDB 2N1M . "Nmr Structure Of The Apo-form Of The Flavoprotein Yp_193882.1 From Lactobacillus Acidophilus Ncfm" . . . . . 100.00 151 100.00 100.00 3.07e-105 . . . . 25567 1 4 no PDB 3EDO . "Crystal Structure Of Flavoprotein In Complex With Fmn (Yp_193882.1) From Lactobacillus Acidophilus Ncfm At 1.20 A Resolution" . . . . . 100.00 151 97.35 97.35 5.54e-101 . . . . 25567 1 5 no EMBL CDF67787 . "Putative trp repressor binding protein [Lactobacillus acidophilus CIP 76.13]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 6 no EMBL CDF69462 . "Putative trp repressor binding protein [Lactobacillus acidophilus CIRM-BIA 442]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 7 no EMBL CDF71219 . "Putative trp repressor binding protein [Lactobacillus acidophilus CIRM-BIA 445]" . . . . . 99.34 150 99.33 100.00 1.31e-103 . . . . 25567 1 8 no EMBL CDF73047 . "Putative trp repressor binding protein [Lactobacillus acidophilus DSM 9126]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 9 no EMBL CDF75037 . "Putative trp repressor binding protein [Lactobacillus acidophilus DSM 20242]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 10 no GB AAV42851 . "putative trp repressor binding protein [Lactobacillus acidophilus NCFM]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 11 no GB AGK94185 . "Flavodoxin [Lactobacillus acidophilus La-14]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 12 no GB AJP46408 . "Trp operon repressor [Lactobacillus acidophilus]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 13 no GB EEJ75695 . "hypothetical protein HMPREF0492_1347 [Lactobacillus acidophilus ATCC 4796]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 14 no GB KHE30356 . "Trp operon repressor [Lactobacillus acidophilus]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 15 no REF WP_003547179 . "Trp operon repressor [Lactobacillus acidophilus]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 16 no REF WP_021874216 . "trp repressor-binding protein [Lactobacillus acidophilus]" . . . . . 99.34 150 99.33 100.00 1.31e-103 . . . . 25567 1 17 no REF YP_193882 . "trp repressor binding protein [Lactobacillus acidophilus NCFM]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25567 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25567 1 2 . MET . 25567 1 3 . ALA . 25567 1 4 . LYS . 25567 1 5 . LYS . 25567 1 6 . THR . 25567 1 7 . LEU . 25567 1 8 . ILE . 25567 1 9 . LEU . 25567 1 10 . TYR . 25567 1 11 . TYR . 25567 1 12 . SER . 25567 1 13 . TRP . 25567 1 14 . SER . 25567 1 15 . GLY . 25567 1 16 . GLU . 25567 1 17 . THR . 25567 1 18 . LYS . 25567 1 19 . LYS . 25567 1 20 . MET . 25567 1 21 . ALA . 25567 1 22 . GLU . 25567 1 23 . LYS . 25567 1 24 . ILE . 25567 1 25 . ASN . 25567 1 26 . SER . 25567 1 27 . GLU . 25567 1 28 . ILE . 25567 1 29 . LYS . 25567 1 30 . ASP . 25567 1 31 . SER . 25567 1 32 . GLU . 25567 1 33 . LEU . 25567 1 34 . LYS . 25567 1 35 . GLU . 25567 1 36 . VAL . 25567 1 37 . LYS . 25567 1 38 . VAL . 25567 1 39 . SER . 25567 1 40 . GLU . 25567 1 41 . GLY . 25567 1 42 . THR . 25567 1 43 . PHE . 25567 1 44 . ASP . 25567 1 45 . ALA . 25567 1 46 . ASP . 25567 1 47 . MET . 25567 1 48 . TYR . 25567 1 49 . LYS . 25567 1 50 . THR . 25567 1 51 . SER . 25567 1 52 . ASP . 25567 1 53 . ILE . 25567 1 54 . ALA . 25567 1 55 . LEU . 25567 1 56 . ASP . 25567 1 57 . GLN . 25567 1 58 . ILE . 25567 1 59 . GLN . 25567 1 60 . GLY . 25567 1 61 . ASN . 25567 1 62 . LYS . 25567 1 63 . ASP . 25567 1 64 . PHE . 25567 1 65 . PRO . 25567 1 66 . GLU . 25567 1 67 . ILE . 25567 1 68 . GLN . 25567 1 69 . LEU . 25567 1 70 . ASP . 25567 1 71 . ASN . 25567 1 72 . ILE . 25567 1 73 . ASP . 25567 1 74 . TYR . 25567 1 75 . ASN . 25567 1 76 . ASN . 25567 1 77 . TYR . 25567 1 78 . ASP . 25567 1 79 . LEU . 25567 1 80 . ILE . 25567 1 81 . LEU . 25567 1 82 . ILE . 25567 1 83 . GLY . 25567 1 84 . SER . 25567 1 85 . PRO . 25567 1 86 . VAL . 25567 1 87 . TRP . 25567 1 88 . SER . 25567 1 89 . GLY . 25567 1 90 . TYR . 25567 1 91 . PRO . 25567 1 92 . ALA . 25567 1 93 . THR . 25567 1 94 . PRO . 25567 1 95 . ILE . 25567 1 96 . LYS . 25567 1 97 . THR . 25567 1 98 . LEU . 25567 1 99 . LEU . 25567 1 100 . ASP . 25567 1 101 . GLN . 25567 1 102 . MET . 25567 1 103 . LYS . 25567 1 104 . ASN . 25567 1 105 . TYR . 25567 1 106 . ARG . 25567 1 107 . GLY . 25567 1 108 . GLU . 25567 1 109 . VAL . 25567 1 110 . ALA . 25567 1 111 . SER . 25567 1 112 . PHE . 25567 1 113 . PHE . 25567 1 114 . THR . 25567 1 115 . SER . 25567 1 116 . ALA . 25567 1 117 . GLY . 25567 1 118 . THR . 25567 1 119 . ASN . 25567 1 120 . HIS . 25567 1 121 . LYS . 25567 1 122 . ALA . 25567 1 123 . TYR . 25567 1 124 . VAL . 25567 1 125 . SER . 25567 1 126 . HIS . 25567 1 127 . PHE . 25567 1 128 . ASN . 25567 1 129 . GLU . 25567 1 130 . TRP . 25567 1 131 . ALA . 25567 1 132 . ASP . 25567 1 133 . GLY . 25567 1 134 . LEU . 25567 1 135 . ASN . 25567 1 136 . VAL . 25567 1 137 . ILE . 25567 1 138 . GLY . 25567 1 139 . VAL . 25567 1 140 . ALA . 25567 1 141 . ARG . 25567 1 142 . ASP . 25567 1 143 . ASP . 25567 1 144 . SER . 25567 1 145 . GLU . 25567 1 146 . VAL . 25567 1 147 . ASP . 25567 1 148 . LYS . 25567 1 149 . TRP . 25567 1 150 . SER . 25567 1 151 . LYS . 25567 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25567 1 . MET 2 2 25567 1 . ALA 3 3 25567 1 . LYS 4 4 25567 1 . LYS 5 5 25567 1 . THR 6 6 25567 1 . LEU 7 7 25567 1 . ILE 8 8 25567 1 . LEU 9 9 25567 1 . TYR 10 10 25567 1 . TYR 11 11 25567 1 . SER 12 12 25567 1 . TRP 13 13 25567 1 . SER 14 14 25567 1 . GLY 15 15 25567 1 . GLU 16 16 25567 1 . THR 17 17 25567 1 . LYS 18 18 25567 1 . LYS 19 19 25567 1 . MET 20 20 25567 1 . ALA 21 21 25567 1 . GLU 22 22 25567 1 . LYS 23 23 25567 1 . ILE 24 24 25567 1 . ASN 25 25 25567 1 . SER 26 26 25567 1 . GLU 27 27 25567 1 . ILE 28 28 25567 1 . LYS 29 29 25567 1 . ASP 30 30 25567 1 . SER 31 31 25567 1 . GLU 32 32 25567 1 . LEU 33 33 25567 1 . LYS 34 34 25567 1 . GLU 35 35 25567 1 . VAL 36 36 25567 1 . LYS 37 37 25567 1 . VAL 38 38 25567 1 . SER 39 39 25567 1 . GLU 40 40 25567 1 . GLY 41 41 25567 1 . THR 42 42 25567 1 . PHE 43 43 25567 1 . ASP 44 44 25567 1 . ALA 45 45 25567 1 . ASP 46 46 25567 1 . MET 47 47 25567 1 . TYR 48 48 25567 1 . LYS 49 49 25567 1 . THR 50 50 25567 1 . SER 51 51 25567 1 . ASP 52 52 25567 1 . ILE 53 53 25567 1 . ALA 54 54 25567 1 . LEU 55 55 25567 1 . ASP 56 56 25567 1 . GLN 57 57 25567 1 . ILE 58 58 25567 1 . GLN 59 59 25567 1 . GLY 60 60 25567 1 . ASN 61 61 25567 1 . LYS 62 62 25567 1 . ASP 63 63 25567 1 . PHE 64 64 25567 1 . PRO 65 65 25567 1 . GLU 66 66 25567 1 . ILE 67 67 25567 1 . GLN 68 68 25567 1 . LEU 69 69 25567 1 . ASP 70 70 25567 1 . ASN 71 71 25567 1 . ILE 72 72 25567 1 . ASP 73 73 25567 1 . TYR 74 74 25567 1 . ASN 75 75 25567 1 . ASN 76 76 25567 1 . TYR 77 77 25567 1 . ASP 78 78 25567 1 . LEU 79 79 25567 1 . ILE 80 80 25567 1 . LEU 81 81 25567 1 . ILE 82 82 25567 1 . GLY 83 83 25567 1 . SER 84 84 25567 1 . PRO 85 85 25567 1 . VAL 86 86 25567 1 . TRP 87 87 25567 1 . SER 88 88 25567 1 . GLY 89 89 25567 1 . TYR 90 90 25567 1 . PRO 91 91 25567 1 . ALA 92 92 25567 1 . THR 93 93 25567 1 . PRO 94 94 25567 1 . ILE 95 95 25567 1 . LYS 96 96 25567 1 . THR 97 97 25567 1 . LEU 98 98 25567 1 . LEU 99 99 25567 1 . ASP 100 100 25567 1 . GLN 101 101 25567 1 . MET 102 102 25567 1 . LYS 103 103 25567 1 . ASN 104 104 25567 1 . TYR 105 105 25567 1 . ARG 106 106 25567 1 . GLY 107 107 25567 1 . GLU 108 108 25567 1 . VAL 109 109 25567 1 . ALA 110 110 25567 1 . SER 111 111 25567 1 . PHE 112 112 25567 1 . PHE 113 113 25567 1 . THR 114 114 25567 1 . SER 115 115 25567 1 . ALA 116 116 25567 1 . GLY 117 117 25567 1 . THR 118 118 25567 1 . ASN 119 119 25567 1 . HIS 120 120 25567 1 . LYS 121 121 25567 1 . ALA 122 122 25567 1 . TYR 123 123 25567 1 . VAL 124 124 25567 1 . SER 125 125 25567 1 . HIS 126 126 25567 1 . PHE 127 127 25567 1 . ASN 128 128 25567 1 . GLU 129 129 25567 1 . TRP 130 130 25567 1 . ALA 131 131 25567 1 . ASP 132 132 25567 1 . GLY 133 133 25567 1 . LEU 134 134 25567 1 . ASN 135 135 25567 1 . VAL 136 136 25567 1 . ILE 137 137 25567 1 . GLY 138 138 25567 1 . VAL 139 139 25567 1 . ALA 140 140 25567 1 . ARG 141 141 25567 1 . ASP 142 142 25567 1 . ASP 143 143 25567 1 . SER 144 144 25567 1 . GLU 145 145 25567 1 . VAL 146 146 25567 1 . ASP 147 147 25567 1 . LYS 148 148 25567 1 . TRP 149 149 25567 1 . SER 150 150 25567 1 . LYS 151 151 25567 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 25567 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 272621 organism . 'Lactobacillus acidophilus NCFM' Firmicutes . . Bacteria . Lactobacillus acidophilus . . . . . . . . . . . . . 25567 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 25567 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli pSpeedET . . . . . BL21DE3 . . . 25567 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25567 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25567 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25567 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25567 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25567 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25567 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25567 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25567 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0798 . M 25567 1 pH 6.0 . pH 25567 1 pressure 1 . atm 25567 1 temperature 308 . K 25567 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25567 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 25567 1 'Herrmann, Guntert and Wuthrich' . . 25567 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25567 1 'data analysis' 25567 1 'peak picking' 25567 1 refinement 25567 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25567 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25567 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25567 2 processing 25567 2 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 25567 _Software.ID 3 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 25567 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25567 3 refinement 25567 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25567 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25567 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25567 4 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 25567 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25567 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25567 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25567 1 2 spectrometer_2 Bruker Avance . 800 . . . 25567 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 25567 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25567 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25567 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25567 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25567 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25567 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25567 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25567 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25567 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25567 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25567 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25567 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.166 _Assigned_chem_shift_list.Chem_shift_15N_err 0.121 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25567 1 2 '3D HNCA' . . . 25567 1 3 '3D HNCACB' . . . 25567 1 4 '3D 1H-15N NOESY' . . . 25567 1 5 '3D 1H-13C NOESY aliphatic' . . . 25567 1 6 '3D 1H-13C NOESY aromatic' . . . 25567 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 25567 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.801 0.007 . . . . . A 1 GLY QA . 25567 1 2 . 1 1 1 1 GLY HA3 H 1 3.801 0.007 . . . . . A 1 GLY QA . 25567 1 3 . 1 1 1 1 GLY C C 13 167.310 0.166 . . . . . A 1 GLY C . 25567 1 4 . 1 1 1 1 GLY CA C 13 40.787 0.166 . . . . . A 1 GLY CA . 25567 1 5 . 1 1 2 2 MET HA H 1 4.416 0.007 . . . . . A 2 MET HA . 25567 1 6 . 1 1 2 2 MET HE1 H 1 2.045 0.007 . . . . . A 2 MET QE . 25567 1 7 . 1 1 2 2 MET HE2 H 1 2.045 0.007 . . . . . A 2 MET QE . 25567 1 8 . 1 1 2 2 MET HE3 H 1 2.045 0.007 . . . . . A 2 MET QE . 25567 1 9 . 1 1 2 2 MET CA C 13 52.847 0.166 . . . . . A 2 MET CA . 25567 1 10 . 1 1 2 2 MET CB C 13 30.672 0.166 . . . . . A 2 MET CB . 25567 1 11 . 1 1 2 2 MET CE C 13 14.503 0.166 . . . . . A 2 MET CE . 25567 1 12 . 1 1 3 3 ALA H H 1 8.342 0.007 . . . . . A 3 ALA H . 25567 1 13 . 1 1 3 3 ALA HA H 1 4.372 0.007 . . . . . A 3 ALA HA . 25567 1 14 . 1 1 3 3 ALA HB1 H 1 1.337 0.007 . . . . . A 3 ALA QB . 25567 1 15 . 1 1 3 3 ALA HB2 H 1 1.337 0.007 . . . . . A 3 ALA QB . 25567 1 16 . 1 1 3 3 ALA HB3 H 1 1.337 0.007 . . . . . A 3 ALA QB . 25567 1 17 . 1 1 3 3 ALA C C 13 174.728 0.166 . . . . . A 3 ALA C . 25567 1 18 . 1 1 3 3 ALA CA C 13 49.348 0.166 . . . . . A 3 ALA CA . 25567 1 19 . 1 1 3 3 ALA CB C 13 16.935 0.166 . . . . . A 3 ALA CB . 25567 1 20 . 1 1 3 3 ALA N N 15 125.563 0.121 . . . . . A 3 ALA N . 25567 1 21 . 1 1 4 4 LYS H H 1 8.500 0.007 . . . . . A 4 LYS H . 25567 1 22 . 1 1 4 4 LYS HA H 1 4.230 0.007 . . . . . A 4 LYS HA . 25567 1 23 . 1 1 4 4 LYS HB2 H 1 1.487 0.007 . . . . . A 4 LYS HB2 . 25567 1 24 . 1 1 4 4 LYS HB3 H 1 1.660 0.007 . . . . . A 4 LYS HB3 . 25567 1 25 . 1 1 4 4 LYS HG2 H 1 1.284 0.007 . . . . . A 4 LYS HG2 . 25567 1 26 . 1 1 4 4 LYS HG3 H 1 1.393 0.007 . . . . . A 4 LYS HG3 . 25567 1 27 . 1 1 4 4 LYS HD2 H 1 1.523 0.007 . . . . . A 4 LYS HD2 . 25567 1 28 . 1 1 4 4 LYS HD3 H 1 1.616 0.007 . . . . . A 4 LYS HD3 . 25567 1 29 . 1 1 4 4 LYS HE2 H 1 2.794 0.007 . . . . . A 4 LYS QE . 25567 1 30 . 1 1 4 4 LYS HE3 H 1 2.794 0.007 . . . . . A 4 LYS QE . 25567 1 31 . 1 1 4 4 LYS C C 13 174.577 0.166 . . . . . A 4 LYS C . 25567 1 32 . 1 1 4 4 LYS CA C 13 53.989 0.166 . . . . . A 4 LYS CA . 25567 1 33 . 1 1 4 4 LYS CB C 13 31.555 0.166 . . . . . A 4 LYS CB . 25567 1 34 . 1 1 4 4 LYS CG C 13 23.195 0.166 . . . . . A 4 LYS CG . 25567 1 35 . 1 1 4 4 LYS CD C 13 28.282 0.166 . . . . . A 4 LYS CD . 25567 1 36 . 1 1 4 4 LYS CE C 13 39.900 0.166 . . . . . A 4 LYS CE . 25567 1 37 . 1 1 4 4 LYS N N 15 121.767 0.121 . . . . . A 4 LYS N . 25567 1 38 . 1 1 5 5 LYS H H 1 10.035 0.007 . . . . . A 5 LYS H . 25567 1 39 . 1 1 5 5 LYS HA H 1 4.526 0.007 . . . . . A 5 LYS HA . 25567 1 40 . 1 1 5 5 LYS HB2 H 1 1.898 0.007 . . . . . A 5 LYS HB2 . 25567 1 41 . 1 1 5 5 LYS HB3 H 1 1.865 0.007 . . . . . A 5 LYS HB3 . 25567 1 42 . 1 1 5 5 LYS HG2 H 1 1.470 0.007 . . . . . A 5 LYS HG2 . 25567 1 43 . 1 1 5 5 LYS HG3 H 1 1.580 0.007 . . . . . A 5 LYS HG3 . 25567 1 44 . 1 1 5 5 LYS HD2 H 1 1.651 0.007 . . . . . A 5 LYS HD2 . 25567 1 45 . 1 1 5 5 LYS HD3 H 1 1.699 0.007 . . . . . A 5 LYS HD3 . 25567 1 46 . 1 1 5 5 LYS HE2 H 1 2.828 0.007 . . . . . A 5 LYS QE . 25567 1 47 . 1 1 5 5 LYS HE3 H 1 2.828 0.007 . . . . . A 5 LYS QE . 25567 1 48 . 1 1 5 5 LYS C C 13 174.731 0.166 . . . . . A 5 LYS C . 25567 1 49 . 1 1 5 5 LYS CA C 13 54.746 0.166 . . . . . A 5 LYS CA . 25567 1 50 . 1 1 5 5 LYS CB C 13 29.894 0.166 . . . . . A 5 LYS CB . 25567 1 51 . 1 1 5 5 LYS CG C 13 22.297 0.166 . . . . . A 5 LYS CG . 25567 1 52 . 1 1 5 5 LYS CD C 13 26.385 0.166 . . . . . A 5 LYS CD . 25567 1 53 . 1 1 5 5 LYS CE C 13 39.540 0.166 . . . . . A 5 LYS CE . 25567 1 54 . 1 1 5 5 LYS N N 15 129.654 0.121 . . . . . A 5 LYS N . 25567 1 55 . 1 1 6 6 THR H H 1 8.557 0.007 . . . . . A 6 THR H . 25567 1 56 . 1 1 6 6 THR HA H 1 5.654 0.007 . . . . . A 6 THR HA . 25567 1 57 . 1 1 6 6 THR HB H 1 3.730 0.007 . . . . . A 6 THR HB . 25567 1 58 . 1 1 6 6 THR HG21 H 1 0.988 0.007 . . . . . A 6 THR QG2 . 25567 1 59 . 1 1 6 6 THR HG22 H 1 0.988 0.007 . . . . . A 6 THR QG2 . 25567 1 60 . 1 1 6 6 THR HG23 H 1 0.988 0.007 . . . . . A 6 THR QG2 . 25567 1 61 . 1 1 6 6 THR C C 13 169.897 0.166 . . . . . A 6 THR C . 25567 1 62 . 1 1 6 6 THR CA C 13 60.647 0.166 . . . . . A 6 THR CA . 25567 1 63 . 1 1 6 6 THR CB C 13 68.152 0.166 . . . . . A 6 THR CB . 25567 1 64 . 1 1 6 6 THR CG2 C 13 18.493 0.166 . . . . . A 6 THR CG2 . 25567 1 65 . 1 1 6 6 THR N N 15 126.212 0.121 . . . . . A 6 THR N . 25567 1 66 . 1 1 7 7 LEU H H 1 8.610 0.007 . . . . . A 7 LEU H . 25567 1 67 . 1 1 7 7 LEU HA H 1 4.619 0.007 . . . . . A 7 LEU HA . 25567 1 68 . 1 1 7 7 LEU HB2 H 1 -0.216 0.007 . . . . . A 7 LEU HB2 . 25567 1 69 . 1 1 7 7 LEU HB3 H 1 1.178 0.007 . . . . . A 7 LEU HB3 . 25567 1 70 . 1 1 7 7 LEU HG H 1 1.050 0.007 . . . . . A 7 LEU HG . 25567 1 71 . 1 1 7 7 LEU HD11 H 1 0.421 0.007 . . . . . A 7 LEU QD1 . 25567 1 72 . 1 1 7 7 LEU HD12 H 1 0.421 0.007 . . . . . A 7 LEU QD1 . 25567 1 73 . 1 1 7 7 LEU HD13 H 1 0.421 0.007 . . . . . A 7 LEU QD1 . 25567 1 74 . 1 1 7 7 LEU HD21 H 1 0.384 0.007 . . . . . A 7 LEU QD2 . 25567 1 75 . 1 1 7 7 LEU HD22 H 1 0.384 0.007 . . . . . A 7 LEU QD2 . 25567 1 76 . 1 1 7 7 LEU HD23 H 1 0.384 0.007 . . . . . A 7 LEU QD2 . 25567 1 77 . 1 1 7 7 LEU CA C 13 50.096 0.166 . . . . . A 7 LEU CA . 25567 1 78 . 1 1 7 7 LEU CB C 13 41.043 0.166 . . . . . A 7 LEU CB . 25567 1 79 . 1 1 7 7 LEU CG C 13 24.339 0.166 . . . . . A 7 LEU CG . 25567 1 80 . 1 1 7 7 LEU CD1 C 13 19.511 0.166 . . . . . A 7 LEU CD1 . 25567 1 81 . 1 1 7 7 LEU CD2 C 13 24.253 0.166 . . . . . A 7 LEU CD2 . 25567 1 82 . 1 1 7 7 LEU N N 15 130.776 0.121 . . . . . A 7 LEU N . 25567 1 83 . 1 1 8 8 ILE H H 1 9.263 0.007 . . . . . A 8 ILE H . 25567 1 84 . 1 1 8 8 ILE HA H 1 4.856 0.007 . . . . . A 8 ILE HA . 25567 1 85 . 1 1 8 8 ILE HB H 1 1.931 0.007 . . . . . A 8 ILE HB . 25567 1 86 . 1 1 8 8 ILE HG12 H 1 1.590 0.007 . . . . . A 8 ILE HG12 . 25567 1 87 . 1 1 8 8 ILE HG13 H 1 0.874 0.007 . . . . . A 8 ILE HG13 . 25567 1 88 . 1 1 8 8 ILE HG21 H 1 0.953 0.007 . . . . . A 8 ILE QG2 . 25567 1 89 . 1 1 8 8 ILE HG22 H 1 0.953 0.007 . . . . . A 8 ILE QG2 . 25567 1 90 . 1 1 8 8 ILE HG23 H 1 0.953 0.007 . . . . . A 8 ILE QG2 . 25567 1 91 . 1 1 8 8 ILE HD11 H 1 0.830 0.007 . . . . . A 8 ILE QD1 . 25567 1 92 . 1 1 8 8 ILE HD12 H 1 0.830 0.007 . . . . . A 8 ILE QD1 . 25567 1 93 . 1 1 8 8 ILE HD13 H 1 0.830 0.007 . . . . . A 8 ILE QD1 . 25567 1 94 . 1 1 8 8 ILE CA C 13 57.392 0.166 . . . . . A 8 ILE CA . 25567 1 95 . 1 1 8 8 ILE CB C 13 36.864 0.166 . . . . . A 8 ILE CB . 25567 1 96 . 1 1 8 8 ILE CG1 C 13 25.666 0.166 . . . . . A 8 ILE CG1 . 25567 1 97 . 1 1 8 8 ILE CG2 C 13 16.012 0.166 . . . . . A 8 ILE CG2 . 25567 1 98 . 1 1 8 8 ILE CD1 C 13 13.420 0.166 . . . . . A 8 ILE CD1 . 25567 1 99 . 1 1 8 8 ILE N N 15 127.175 0.121 . . . . . A 8 ILE N . 25567 1 100 . 1 1 9 9 LEU H H 1 9.262 0.007 . . . . . A 9 LEU H . 25567 1 101 . 1 1 9 9 LEU HA H 1 5.696 0.007 . . . . . A 9 LEU HA . 25567 1 102 . 1 1 9 9 LEU HB2 H 1 1.576 0.007 . . . . . A 9 LEU HB2 . 25567 1 103 . 1 1 9 9 LEU HB3 H 1 1.055 0.007 . . . . . A 9 LEU HB3 . 25567 1 104 . 1 1 9 9 LEU HG H 1 1.376 0.007 . . . . . A 9 LEU HG . 25567 1 105 . 1 1 9 9 LEU HD11 H 1 0.771 0.007 . . . . . A 9 LEU QD1 . 25567 1 106 . 1 1 9 9 LEU HD12 H 1 0.771 0.007 . . . . . A 9 LEU QD1 . 25567 1 107 . 1 1 9 9 LEU HD13 H 1 0.771 0.007 . . . . . A 9 LEU QD1 . 25567 1 108 . 1 1 9 9 LEU HD21 H 1 0.784 0.007 . . . . . A 9 LEU QD2 . 25567 1 109 . 1 1 9 9 LEU HD22 H 1 0.784 0.007 . . . . . A 9 LEU QD2 . 25567 1 110 . 1 1 9 9 LEU HD23 H 1 0.784 0.007 . . . . . A 9 LEU QD2 . 25567 1 111 . 1 1 9 9 LEU CA C 13 49.952 0.166 . . . . . A 9 LEU CA . 25567 1 112 . 1 1 9 9 LEU CB C 13 43.827 0.166 . . . . . A 9 LEU CB . 25567 1 113 . 1 1 9 9 LEU CG C 13 24.792 0.166 . . . . . A 9 LEU CG . 25567 1 114 . 1 1 9 9 LEU CD1 C 13 23.042 0.166 . . . . . A 9 LEU CD1 . 25567 1 115 . 1 1 9 9 LEU CD2 C 13 24.900 0.166 . . . . . A 9 LEU CD2 . 25567 1 116 . 1 1 9 9 LEU N N 15 127.117 0.121 . . . . . A 9 LEU N . 25567 1 117 . 1 1 10 10 TYR H H 1 7.425 0.007 . . . . . A 10 TYR H . 25567 1 118 . 1 1 10 10 TYR HA H 1 5.531 0.007 . . . . . A 10 TYR HA . 25567 1 119 . 1 1 10 10 TYR HB2 H 1 2.491 0.007 . . . . . A 10 TYR HB2 . 25567 1 120 . 1 1 10 10 TYR HB3 H 1 2.620 0.007 . . . . . A 10 TYR HB3 . 25567 1 121 . 1 1 10 10 TYR HD1 H 1 6.664 0.007 . . . . . A 10 TYR QD . 25567 1 122 . 1 1 10 10 TYR HD2 H 1 6.664 0.007 . . . . . A 10 TYR QD . 25567 1 123 . 1 1 10 10 TYR HE1 H 1 6.871 0.007 . . . . . A 10 TYR QE . 25567 1 124 . 1 1 10 10 TYR HE2 H 1 6.871 0.007 . . . . . A 10 TYR QE . 25567 1 125 . 1 1 10 10 TYR CA C 13 52.829 0.166 . . . . . A 10 TYR CA . 25567 1 126 . 1 1 10 10 TYR CB C 13 38.615 0.166 . . . . . A 10 TYR CB . 25567 1 127 . 1 1 10 10 TYR CD1 C 13 122.963 0.166 . . . . . A 10 TYR CD1 . 25567 1 128 . 1 1 10 10 TYR CE1 C 13 113.954 0.166 . . . . . A 10 TYR CE1 . 25567 1 129 . 1 1 10 10 TYR N N 15 113.544 0.121 . . . . . A 10 TYR N . 25567 1 130 . 1 1 11 11 TYR H H 1 7.781 0.007 . . . . . A 11 TYR H . 25567 1 131 . 1 1 11 11 TYR HA H 1 4.810 0.007 . . . . . A 11 TYR HA . 25567 1 132 . 1 1 11 11 TYR HB2 H 1 2.482 0.007 . . . . . A 11 TYR HB2 . 25567 1 133 . 1 1 11 11 TYR HB3 H 1 2.612 0.007 . . . . . A 11 TYR HB3 . 25567 1 134 . 1 1 11 11 TYR HD1 H 1 6.870 0.007 . . . . . A 11 TYR QD . 25567 1 135 . 1 1 11 11 TYR HD2 H 1 6.870 0.007 . . . . . A 11 TYR QD . 25567 1 136 . 1 1 11 11 TYR HE1 H 1 6.847 0.007 . . . . . A 11 TYR QE . 25567 1 137 . 1 1 11 11 TYR HE2 H 1 6.847 0.007 . . . . . A 11 TYR QE . 25567 1 138 . 1 1 11 11 TYR CA C 13 53.889 0.166 . . . . . A 11 TYR CA . 25567 1 139 . 1 1 11 11 TYR CB C 13 40.467 0.166 . . . . . A 11 TYR CB . 25567 1 140 . 1 1 11 11 TYR CD2 C 13 125.599 0.166 . . . . . A 11 TYR CD2 . 25567 1 141 . 1 1 11 11 TYR CE1 C 13 113.972 0.166 . . . . . A 11 TYR CE1 . 25567 1 142 . 1 1 11 11 TYR N N 15 121.235 0.121 . . . . . A 11 TYR N . 25567 1 143 . 1 1 14 14 SER CA C 13 54.675 0.166 . . . . . A 14 SER CA . 25567 1 144 . 1 1 14 14 SER CB C 13 61.621 0.166 . . . . . A 14 SER CB . 25567 1 145 . 1 1 15 15 GLY H H 1 7.757 0.007 . . . . . A 15 GLY H . 25567 1 146 . 1 1 15 15 GLY HA2 H 1 3.635 0.007 . . . . . A 15 GLY HA2 . 25567 1 147 . 1 1 15 15 GLY HA3 H 1 4.384 0.007 . . . . . A 15 GLY HA3 . 25567 1 148 . 1 1 15 15 GLY CA C 13 43.727 0.166 . . . . . A 15 GLY CA . 25567 1 149 . 1 1 15 15 GLY N N 15 110.420 0.121 . . . . . A 15 GLY N . 25567 1 150 . 1 1 17 17 THR HA H 1 4.122 0.007 . . . . . A 17 THR HA . 25567 1 151 . 1 1 17 17 THR HB H 1 3.819 0.007 . . . . . A 17 THR HB . 25567 1 152 . 1 1 17 17 THR HG21 H 1 1.102 0.007 . . . . . A 17 THR QG2 . 25567 1 153 . 1 1 17 17 THR HG22 H 1 1.102 0.007 . . . . . A 17 THR QG2 . 25567 1 154 . 1 1 17 17 THR HG23 H 1 1.102 0.007 . . . . . A 17 THR QG2 . 25567 1 155 . 1 1 17 17 THR CA C 13 64.748 0.166 . . . . . A 17 THR CA . 25567 1 156 . 1 1 17 17 THR CB C 13 64.532 0.166 . . . . . A 17 THR CB . 25567 1 157 . 1 1 17 17 THR CG2 C 13 19.020 0.166 . . . . . A 17 THR CG2 . 25567 1 158 . 1 1 18 18 LYS HA H 1 2.918 0.007 . . . . . A 18 LYS HA . 25567 1 159 . 1 1 18 18 LYS HB2 H 1 1.538 0.007 . . . . . A 18 LYS HB2 . 25567 1 160 . 1 1 18 18 LYS HB3 H 1 1.713 0.007 . . . . . A 18 LYS HB3 . 25567 1 161 . 1 1 18 18 LYS HG2 H 1 0.924 0.007 . . . . . A 18 LYS HG2 . 25567 1 162 . 1 1 18 18 LYS HG3 H 1 1.074 0.007 . . . . . A 18 LYS HG3 . 25567 1 163 . 1 1 18 18 LYS HD2 H 1 1.603 0.007 . . . . . A 18 LYS QD . 25567 1 164 . 1 1 18 18 LYS HD3 H 1 1.603 0.007 . . . . . A 18 LYS QD . 25567 1 165 . 1 1 18 18 LYS HE2 H 1 2.892 0.007 . . . . . A 18 LYS QE . 25567 1 166 . 1 1 18 18 LYS HE3 H 1 2.892 0.007 . . . . . A 18 LYS QE . 25567 1 167 . 1 1 18 18 LYS C C 13 173.812 0.166 . . . . . A 18 LYS C . 25567 1 168 . 1 1 18 18 LYS CA C 13 57.003 0.166 . . . . . A 18 LYS CA . 25567 1 169 . 1 1 18 18 LYS CB C 13 29.768 0.166 . . . . . A 18 LYS CB . 25567 1 170 . 1 1 18 18 LYS CG C 13 21.323 0.166 . . . . . A 18 LYS CG . 25567 1 171 . 1 1 18 18 LYS CD C 13 25.692 0.166 . . . . . A 18 LYS CD . 25567 1 172 . 1 1 18 18 LYS CE C 13 39.445 0.166 . . . . . A 18 LYS CE . 25567 1 173 . 1 1 19 19 LYS H H 1 7.476 0.007 . . . . . A 19 LYS H . 25567 1 174 . 1 1 19 19 LYS HA H 1 3.948 0.007 . . . . . A 19 LYS HA . 25567 1 175 . 1 1 19 19 LYS HB2 H 1 1.732 0.007 . . . . . A 19 LYS QB . 25567 1 176 . 1 1 19 19 LYS HB3 H 1 1.732 0.007 . . . . . A 19 LYS QB . 25567 1 177 . 1 1 19 19 LYS HG2 H 1 1.352 0.007 . . . . . A 19 LYS HG2 . 25567 1 178 . 1 1 19 19 LYS HG3 H 1 1.472 0.007 . . . . . A 19 LYS HG3 . 25567 1 179 . 1 1 19 19 LYS HD2 H 1 1.609 0.007 . . . . . A 19 LYS HD2 . 25567 1 180 . 1 1 19 19 LYS HD3 H 1 1.554 0.007 . . . . . A 19 LYS HD3 . 25567 1 181 . 1 1 19 19 LYS HE2 H 1 2.854 0.007 . . . . . A 19 LYS QE . 25567 1 182 . 1 1 19 19 LYS HE3 H 1 2.854 0.007 . . . . . A 19 LYS QE . 25567 1 183 . 1 1 19 19 LYS C C 13 177.221 0.166 . . . . . A 19 LYS C . 25567 1 184 . 1 1 19 19 LYS CA C 13 56.421 0.166 . . . . . A 19 LYS CA . 25567 1 185 . 1 1 19 19 LYS CB C 13 29.634 0.166 . . . . . A 19 LYS CB . 25567 1 186 . 1 1 19 19 LYS CG C 13 22.674 0.166 . . . . . A 19 LYS CG . 25567 1 187 . 1 1 19 19 LYS CD C 13 26.686 0.166 . . . . . A 19 LYS CD . 25567 1 188 . 1 1 19 19 LYS CE C 13 39.419 0.166 . . . . . A 19 LYS CE . 25567 1 189 . 1 1 19 19 LYS N N 15 116.699 0.121 . . . . . A 19 LYS N . 25567 1 190 . 1 1 20 20 MET H H 1 7.457 0.007 . . . . . A 20 MET H . 25567 1 191 . 1 1 20 20 MET HA H 1 4.474 0.007 . . . . . A 20 MET HA . 25567 1 192 . 1 1 20 20 MET HB2 H 1 1.964 0.007 . . . . . A 20 MET HB2 . 25567 1 193 . 1 1 20 20 MET HB3 H 1 2.110 0.007 . . . . . A 20 MET HB3 . 25567 1 194 . 1 1 20 20 MET HE1 H 1 1.809 0.007 . . . . . A 20 MET QE . 25567 1 195 . 1 1 20 20 MET HE2 H 1 1.809 0.007 . . . . . A 20 MET QE . 25567 1 196 . 1 1 20 20 MET HE3 H 1 1.809 0.007 . . . . . A 20 MET QE . 25567 1 197 . 1 1 20 20 MET C C 13 173.826 0.166 . . . . . A 20 MET C . 25567 1 198 . 1 1 20 20 MET CA C 13 52.285 0.166 . . . . . A 20 MET CA . 25567 1 199 . 1 1 20 20 MET CB C 13 26.921 0.166 . . . . . A 20 MET CB . 25567 1 200 . 1 1 20 20 MET CE C 13 11.607 0.166 . . . . . A 20 MET CE . 25567 1 201 . 1 1 20 20 MET N N 15 118.946 0.121 . . . . . A 20 MET N . 25567 1 202 . 1 1 21 21 ALA H H 1 8.549 0.007 . . . . . A 21 ALA H . 25567 1 203 . 1 1 21 21 ALA HA H 1 3.552 0.007 . . . . . A 21 ALA HA . 25567 1 204 . 1 1 21 21 ALA HB1 H 1 0.935 0.007 . . . . . A 21 ALA QB . 25567 1 205 . 1 1 21 21 ALA HB2 H 1 0.935 0.007 . . . . . A 21 ALA QB . 25567 1 206 . 1 1 21 21 ALA HB3 H 1 0.935 0.007 . . . . . A 21 ALA QB . 25567 1 207 . 1 1 21 21 ALA C C 13 176.542 0.166 . . . . . A 21 ALA C . 25567 1 208 . 1 1 21 21 ALA CA C 13 52.651 0.166 . . . . . A 21 ALA CA . 25567 1 209 . 1 1 21 21 ALA CB C 13 16.282 0.166 . . . . . A 21 ALA CB . 25567 1 210 . 1 1 21 21 ALA N N 15 123.375 0.121 . . . . . A 21 ALA N . 25567 1 211 . 1 1 22 22 GLU H H 1 8.085 0.007 . . . . . A 22 GLU H . 25567 1 212 . 1 1 22 22 GLU HA H 1 3.673 0.007 . . . . . A 22 GLU HA . 25567 1 213 . 1 1 22 22 GLU HB2 H 1 2.026 0.007 . . . . . A 22 GLU HB2 . 25567 1 214 . 1 1 22 22 GLU HB3 H 1 1.755 0.007 . . . . . A 22 GLU HB3 . 25567 1 215 . 1 1 22 22 GLU HG2 H 1 1.979 0.007 . . . . . A 22 GLU HG2 . 25567 1 216 . 1 1 22 22 GLU HG3 H 1 2.251 0.007 . . . . . A 22 GLU HG3 . 25567 1 217 . 1 1 22 22 GLU C C 13 176.658 0.166 . . . . . A 22 GLU C . 25567 1 218 . 1 1 22 22 GLU CA C 13 56.605 0.166 . . . . . A 22 GLU CA . 25567 1 219 . 1 1 22 22 GLU CB C 13 26.649 0.166 . . . . . A 22 GLU CB . 25567 1 220 . 1 1 22 22 GLU CG C 13 34.465 0.166 . . . . . A 22 GLU CG . 25567 1 221 . 1 1 22 22 GLU N N 15 116.906 0.121 . . . . . A 22 GLU N . 25567 1 222 . 1 1 23 23 LYS H H 1 7.703 0.007 . . . . . A 23 LYS H . 25567 1 223 . 1 1 23 23 LYS HA H 1 3.820 0.007 . . . . . A 23 LYS HA . 25567 1 224 . 1 1 23 23 LYS HB2 H 1 1.729 0.007 . . . . . A 23 LYS HB2 . 25567 1 225 . 1 1 23 23 LYS HB3 H 1 2.068 0.007 . . . . . A 23 LYS HB3 . 25567 1 226 . 1 1 23 23 LYS HG2 H 1 1.182 0.007 . . . . . A 23 LYS HG2 . 25567 1 227 . 1 1 23 23 LYS HG3 H 1 1.118 0.007 . . . . . A 23 LYS HG3 . 25567 1 228 . 1 1 23 23 LYS HD2 H 1 1.369 0.007 . . . . . A 23 LYS HD2 . 25567 1 229 . 1 1 23 23 LYS HD3 H 1 1.433 0.007 . . . . . A 23 LYS HD3 . 25567 1 230 . 1 1 23 23 LYS HE2 H 1 2.744 0.007 . . . . . A 23 LYS QE . 25567 1 231 . 1 1 23 23 LYS HE3 H 1 2.744 0.007 . . . . . A 23 LYS QE . 25567 1 232 . 1 1 23 23 LYS C C 13 177.363 0.166 . . . . . A 23 LYS C . 25567 1 233 . 1 1 23 23 LYS CA C 13 56.971 0.166 . . . . . A 23 LYS CA . 25567 1 234 . 1 1 23 23 LYS CB C 13 29.531 0.166 . . . . . A 23 LYS CB . 25567 1 235 . 1 1 23 23 LYS CG C 13 22.096 0.166 . . . . . A 23 LYS CG . 25567 1 236 . 1 1 23 23 LYS CD C 13 27.139 0.166 . . . . . A 23 LYS CD . 25567 1 237 . 1 1 23 23 LYS CE C 13 39.420 0.166 . . . . . A 23 LYS CE . 25567 1 238 . 1 1 23 23 LYS N N 15 123.301 0.121 . . . . . A 23 LYS N . 25567 1 239 . 1 1 24 24 ILE H H 1 8.458 0.007 . . . . . A 24 ILE H . 25567 1 240 . 1 1 24 24 ILE HA H 1 3.296 0.007 . . . . . A 24 ILE HA . 25567 1 241 . 1 1 24 24 ILE HB H 1 1.268 0.007 . . . . . A 24 ILE HB . 25567 1 242 . 1 1 24 24 ILE HG12 H 1 0.361 0.007 . . . . . A 24 ILE HG12 . 25567 1 243 . 1 1 24 24 ILE HG13 H 1 1.346 0.007 . . . . . A 24 ILE HG13 . 25567 1 244 . 1 1 24 24 ILE HG21 H 1 0.521 0.007 . . . . . A 24 ILE QG2 . 25567 1 245 . 1 1 24 24 ILE HG22 H 1 0.521 0.007 . . . . . A 24 ILE QG2 . 25567 1 246 . 1 1 24 24 ILE HG23 H 1 0.521 0.007 . . . . . A 24 ILE QG2 . 25567 1 247 . 1 1 24 24 ILE HD11 H 1 -0.674 0.007 . . . . . A 24 ILE QD1 . 25567 1 248 . 1 1 24 24 ILE HD12 H 1 -0.674 0.007 . . . . . A 24 ILE QD1 . 25567 1 249 . 1 1 24 24 ILE HD13 H 1 -0.674 0.007 . . . . . A 24 ILE QD1 . 25567 1 250 . 1 1 24 24 ILE C C 13 174.944 0.166 . . . . . A 24 ILE C . 25567 1 251 . 1 1 24 24 ILE CA C 13 63.233 0.166 . . . . . A 24 ILE CA . 25567 1 252 . 1 1 24 24 ILE CB C 13 34.744 0.166 . . . . . A 24 ILE CB . 25567 1 253 . 1 1 24 24 ILE CG1 C 13 27.767 0.166 . . . . . A 24 ILE CG1 . 25567 1 254 . 1 1 24 24 ILE CG2 C 13 14.809 0.166 . . . . . A 24 ILE CG2 . 25567 1 255 . 1 1 24 24 ILE CD1 C 13 8.685 0.166 . . . . . A 24 ILE CD1 . 25567 1 256 . 1 1 24 24 ILE N N 15 121.894 0.121 . . . . . A 24 ILE N . 25567 1 257 . 1 1 25 25 ASN H H 1 8.273 0.007 . . . . . A 25 ASN H . 25567 1 258 . 1 1 25 25 ASN HA H 1 4.234 0.007 . . . . . A 25 ASN HA . 25567 1 259 . 1 1 25 25 ASN HB2 H 1 2.652 0.007 . . . . . A 25 ASN HB2 . 25567 1 260 . 1 1 25 25 ASN HB3 H 1 2.913 0.007 . . . . . A 25 ASN HB3 . 25567 1 261 . 1 1 25 25 ASN HD21 H 1 6.109 0.007 . . . . . A 25 ASN HD21 . 25567 1 262 . 1 1 25 25 ASN HD22 H 1 7.706 0.007 . . . . . A 25 ASN HD22 . 25567 1 263 . 1 1 25 25 ASN C C 13 173.567 0.166 . . . . . A 25 ASN C . 25567 1 264 . 1 1 25 25 ASN CA C 13 52.324 0.166 . . . . . A 25 ASN CA . 25567 1 265 . 1 1 25 25 ASN CB C 13 38.183 0.166 . . . . . A 25 ASN CB . 25567 1 266 . 1 1 25 25 ASN N N 15 118.580 0.121 . . . . . A 25 ASN N . 25567 1 267 . 1 1 25 25 ASN ND2 N 15 112.442 0.121 . . . . . A 25 ASN ND2 . 25567 1 268 . 1 1 26 26 SER H H 1 7.444 0.007 . . . . . A 26 SER H . 25567 1 269 . 1 1 26 26 SER HA H 1 4.148 0.007 . . . . . A 26 SER HA . 25567 1 270 . 1 1 26 26 SER HB2 H 1 3.916 0.007 . . . . . A 26 SER HB2 . 25567 1 271 . 1 1 26 26 SER HB3 H 1 3.871 0.007 . . . . . A 26 SER HB3 . 25567 1 272 . 1 1 26 26 SER C C 13 172.083 0.166 . . . . . A 26 SER C . 25567 1 273 . 1 1 26 26 SER CA C 13 57.865 0.166 . . . . . A 26 SER CA . 25567 1 274 . 1 1 26 26 SER CB C 13 60.816 0.166 . . . . . A 26 SER CB . 25567 1 275 . 1 1 26 26 SER N N 15 112.132 0.121 . . . . . A 26 SER N . 25567 1 276 . 1 1 27 27 GLU H H 1 7.453 0.007 . . . . . A 27 GLU H . 25567 1 277 . 1 1 27 27 GLU HA H 1 4.100 0.007 . . . . . A 27 GLU HA . 25567 1 278 . 1 1 27 27 GLU HB2 H 1 2.120 0.007 . . . . . A 27 GLU HB2 . 25567 1 279 . 1 1 27 27 GLU HB3 H 1 1.907 0.007 . . . . . A 27 GLU HB3 . 25567 1 280 . 1 1 27 27 GLU HG2 H 1 2.517 0.007 . . . . . A 27 GLU HG2 . 25567 1 281 . 1 1 27 27 GLU HG3 H 1 2.250 0.007 . . . . . A 27 GLU HG3 . 25567 1 282 . 1 1 27 27 GLU C C 13 173.647 0.166 . . . . . A 27 GLU C . 25567 1 283 . 1 1 27 27 GLU CA C 13 54.202 0.166 . . . . . A 27 GLU CA . 25567 1 284 . 1 1 27 27 GLU CB C 13 26.884 0.166 . . . . . A 27 GLU CB . 25567 1 285 . 1 1 27 27 GLU CG C 13 30.375 0.166 . . . . . A 27 GLU CG . 25567 1 286 . 1 1 27 27 GLU N N 15 120.080 0.121 . . . . . A 27 GLU N . 25567 1 287 . 1 1 28 28 ILE H H 1 7.258 0.007 . . . . . A 28 ILE H . 25567 1 288 . 1 1 28 28 ILE HA H 1 4.204 0.007 . . . . . A 28 ILE HA . 25567 1 289 . 1 1 28 28 ILE HB H 1 1.573 0.007 . . . . . A 28 ILE HB . 25567 1 290 . 1 1 28 28 ILE HG12 H 1 1.594 0.007 . . . . . A 28 ILE HG12 . 25567 1 291 . 1 1 28 28 ILE HG13 H 1 0.742 0.007 . . . . . A 28 ILE HG13 . 25567 1 292 . 1 1 28 28 ILE HG21 H 1 0.898 0.007 . . . . . A 28 ILE QG2 . 25567 1 293 . 1 1 28 28 ILE HG22 H 1 0.898 0.007 . . . . . A 28 ILE QG2 . 25567 1 294 . 1 1 28 28 ILE HG23 H 1 0.898 0.007 . . . . . A 28 ILE QG2 . 25567 1 295 . 1 1 28 28 ILE HD11 H 1 0.702 0.007 . . . . . A 28 ILE QD1 . 25567 1 296 . 1 1 28 28 ILE HD12 H 1 0.702 0.007 . . . . . A 28 ILE QD1 . 25567 1 297 . 1 1 28 28 ILE HD13 H 1 0.702 0.007 . . . . . A 28 ILE QD1 . 25567 1 298 . 1 1 28 28 ILE C C 13 172.474 0.166 . . . . . A 28 ILE C . 25567 1 299 . 1 1 28 28 ILE CA C 13 57.747 0.166 . . . . . A 28 ILE CA . 25567 1 300 . 1 1 28 28 ILE CB C 13 35.798 0.166 . . . . . A 28 ILE CB . 25567 1 301 . 1 1 28 28 ILE CG1 C 13 23.550 0.166 . . . . . A 28 ILE CG1 . 25567 1 302 . 1 1 28 28 ILE CG2 C 13 15.591 0.166 . . . . . A 28 ILE CG2 . 25567 1 303 . 1 1 28 28 ILE CD1 C 13 12.757 0.166 . . . . . A 28 ILE CD1 . 25567 1 304 . 1 1 28 28 ILE N N 15 118.759 0.121 . . . . . A 28 ILE N . 25567 1 305 . 1 1 29 29 LYS H H 1 8.588 0.007 . . . . . A 29 LYS H . 25567 1 306 . 1 1 29 29 LYS HA H 1 4.005 0.007 . . . . . A 29 LYS HA . 25567 1 307 . 1 1 29 29 LYS HB2 H 1 1.665 0.007 . . . . . A 29 LYS HB2 . 25567 1 308 . 1 1 29 29 LYS HB3 H 1 1.735 0.007 . . . . . A 29 LYS HB3 . 25567 1 309 . 1 1 29 29 LYS HG2 H 1 1.401 0.007 . . . . . A 29 LYS HG2 . 25567 1 310 . 1 1 29 29 LYS HG3 H 1 1.361 0.007 . . . . . A 29 LYS HG3 . 25567 1 311 . 1 1 29 29 LYS HD2 H 1 1.604 0.007 . . . . . A 29 LYS QD . 25567 1 312 . 1 1 29 29 LYS HD3 H 1 1.604 0.007 . . . . . A 29 LYS QD . 25567 1 313 . 1 1 29 29 LYS HE2 H 1 2.898 0.007 . . . . . A 29 LYS QE . 25567 1 314 . 1 1 29 29 LYS HE3 H 1 2.898 0.007 . . . . . A 29 LYS QE . 25567 1 315 . 1 1 29 29 LYS C C 13 174.375 0.166 . . . . . A 29 LYS C . 25567 1 316 . 1 1 29 29 LYS CA C 13 55.659 0.166 . . . . . A 29 LYS CA . 25567 1 317 . 1 1 29 29 LYS CB C 13 29.560 0.166 . . . . . A 29 LYS CB . 25567 1 318 . 1 1 29 29 LYS CG C 13 22.007 0.166 . . . . . A 29 LYS CG . 25567 1 319 . 1 1 29 29 LYS CD C 13 26.486 0.166 . . . . . A 29 LYS CD . 25567 1 320 . 1 1 29 29 LYS CE C 13 39.652 0.166 . . . . . A 29 LYS CE . 25567 1 321 . 1 1 29 29 LYS N N 15 130.618 0.121 . . . . . A 29 LYS N . 25567 1 322 . 1 1 30 30 ASP H H 1 8.940 0.007 . . . . . A 30 ASP H . 25567 1 323 . 1 1 30 30 ASP HA H 1 4.402 0.007 . . . . . A 30 ASP HA . 25567 1 324 . 1 1 30 30 ASP HB2 H 1 2.960 0.007 . . . . . A 30 ASP HB2 . 25567 1 325 . 1 1 30 30 ASP HB3 H 1 2.931 0.007 . . . . . A 30 ASP HB3 . 25567 1 326 . 1 1 30 30 ASP C C 13 172.580 0.166 . . . . . A 30 ASP C . 25567 1 327 . 1 1 30 30 ASP CA C 13 53.624 0.166 . . . . . A 30 ASP CA . 25567 1 328 . 1 1 30 30 ASP CB C 13 36.828 0.166 . . . . . A 30 ASP CB . 25567 1 329 . 1 1 30 30 ASP N N 15 119.366 0.121 . . . . . A 30 ASP N . 25567 1 330 . 1 1 31 31 SER H H 1 8.030 0.007 . . . . . A 31 SER H . 25567 1 331 . 1 1 31 31 SER HA H 1 4.781 0.007 . . . . . A 31 SER HA . 25567 1 332 . 1 1 31 31 SER HB2 H 1 3.778 0.007 . . . . . A 31 SER HB2 . 25567 1 333 . 1 1 31 31 SER HB3 H 1 3.649 0.007 . . . . . A 31 SER HB3 . 25567 1 334 . 1 1 31 31 SER C C 13 171.136 0.166 . . . . . A 31 SER C . 25567 1 335 . 1 1 31 31 SER CA C 13 55.638 0.166 . . . . . A 31 SER CA . 25567 1 336 . 1 1 31 31 SER CB C 13 62.388 0.166 . . . . . A 31 SER CB . 25567 1 337 . 1 1 31 31 SER N N 15 114.035 0.121 . . . . . A 31 SER N . 25567 1 338 . 1 1 32 32 GLU H H 1 8.188 0.007 . . . . . A 32 GLU H . 25567 1 339 . 1 1 32 32 GLU HA H 1 4.735 0.007 . . . . . A 32 GLU HA . 25567 1 340 . 1 1 32 32 GLU HB2 H 1 1.918 0.007 . . . . . A 32 GLU HB2 . 25567 1 341 . 1 1 32 32 GLU HB3 H 1 1.961 0.007 . . . . . A 32 GLU HB3 . 25567 1 342 . 1 1 32 32 GLU HG2 H 1 2.356 0.007 . . . . . A 32 GLU HG2 . 25567 1 343 . 1 1 32 32 GLU HG3 H 1 2.209 0.007 . . . . . A 32 GLU HG3 . 25567 1 344 . 1 1 32 32 GLU C C 13 171.205 0.166 . . . . . A 32 GLU C . 25567 1 345 . 1 1 32 32 GLU CA C 13 52.069 0.166 . . . . . A 32 GLU CA . 25567 1 346 . 1 1 32 32 GLU CB C 13 30.890 0.166 . . . . . A 32 GLU CB . 25567 1 347 . 1 1 32 32 GLU CG C 13 34.134 0.166 . . . . . A 32 GLU CG . 25567 1 348 . 1 1 32 32 GLU N N 15 121.406 0.121 . . . . . A 32 GLU N . 25567 1 349 . 1 1 33 33 LEU H H 1 8.627 0.007 . . . . . A 33 LEU H . 25567 1 350 . 1 1 33 33 LEU HA H 1 5.285 0.007 . . . . . A 33 LEU HA . 25567 1 351 . 1 1 33 33 LEU HB2 H 1 1.772 0.007 . . . . . A 33 LEU HB2 . 25567 1 352 . 1 1 33 33 LEU HB3 H 1 1.002 0.007 . . . . . A 33 LEU HB3 . 25567 1 353 . 1 1 33 33 LEU HG H 1 1.446 0.007 . . . . . A 33 LEU HG . 25567 1 354 . 1 1 33 33 LEU HD11 H 1 0.791 0.007 . . . . . A 33 LEU QD1 . 25567 1 355 . 1 1 33 33 LEU HD12 H 1 0.791 0.007 . . . . . A 33 LEU QD1 . 25567 1 356 . 1 1 33 33 LEU HD13 H 1 0.791 0.007 . . . . . A 33 LEU QD1 . 25567 1 357 . 1 1 33 33 LEU HD21 H 1 0.840 0.007 . . . . . A 33 LEU QD2 . 25567 1 358 . 1 1 33 33 LEU HD22 H 1 0.840 0.007 . . . . . A 33 LEU QD2 . 25567 1 359 . 1 1 33 33 LEU HD23 H 1 0.840 0.007 . . . . . A 33 LEU QD2 . 25567 1 360 . 1 1 33 33 LEU C C 13 173.401 0.166 . . . . . A 33 LEU C . 25567 1 361 . 1 1 33 33 LEU CA C 13 51.334 0.166 . . . . . A 33 LEU CA . 25567 1 362 . 1 1 33 33 LEU CB C 13 43.623 0.166 . . . . . A 33 LEU CB . 25567 1 363 . 1 1 33 33 LEU CG C 13 24.968 0.166 . . . . . A 33 LEU CG . 25567 1 364 . 1 1 33 33 LEU CD1 C 13 24.234 0.166 . . . . . A 33 LEU CD1 . 25567 1 365 . 1 1 33 33 LEU CD2 C 13 23.533 0.166 . . . . . A 33 LEU CD2 . 25567 1 366 . 1 1 33 33 LEU N N 15 126.143 0.121 . . . . . A 33 LEU N . 25567 1 367 . 1 1 34 34 LYS H H 1 9.399 0.007 . . . . . A 34 LYS H . 25567 1 368 . 1 1 34 34 LYS HA H 1 4.599 0.007 . . . . . A 34 LYS HA . 25567 1 369 . 1 1 34 34 LYS HB2 H 1 1.684 0.007 . . . . . A 34 LYS HB2 . 25567 1 370 . 1 1 34 34 LYS HB3 H 1 1.558 0.007 . . . . . A 34 LYS HB3 . 25567 1 371 . 1 1 34 34 LYS HG2 H 1 1.269 0.007 . . . . . A 34 LYS HG2 . 25567 1 372 . 1 1 34 34 LYS HG3 H 1 1.154 0.007 . . . . . A 34 LYS HG3 . 25567 1 373 . 1 1 34 34 LYS HD2 H 1 1.499 0.007 . . . . . A 34 LYS HD2 . 25567 1 374 . 1 1 34 34 LYS HD3 H 1 1.761 0.007 . . . . . A 34 LYS HD3 . 25567 1 375 . 1 1 34 34 LYS HE2 H 1 2.798 0.007 . . . . . A 34 LYS HE2 . 25567 1 376 . 1 1 34 34 LYS HE3 H 1 2.896 0.007 . . . . . A 34 LYS HE3 . 25567 1 377 . 1 1 34 34 LYS C C 13 169.644 0.166 . . . . . A 34 LYS C . 25567 1 378 . 1 1 34 34 LYS CA C 13 52.353 0.166 . . . . . A 34 LYS CA . 25567 1 379 . 1 1 34 34 LYS CB C 13 34.172 0.166 . . . . . A 34 LYS CB . 25567 1 380 . 1 1 34 34 LYS CG C 13 22.863 0.166 . . . . . A 34 LYS CG . 25567 1 381 . 1 1 34 34 LYS CD C 13 26.492 0.166 . . . . . A 34 LYS CD . 25567 1 382 . 1 1 34 34 LYS CE C 13 39.695 0.166 . . . . . A 34 LYS CE . 25567 1 383 . 1 1 34 34 LYS N N 15 127.122 0.121 . . . . . A 34 LYS N . 25567 1 384 . 1 1 35 35 GLU H H 1 8.166 0.007 . . . . . A 35 GLU H . 25567 1 385 . 1 1 35 35 GLU HA H 1 3.358 0.007 . . . . . A 35 GLU HA . 25567 1 386 . 1 1 35 35 GLU HB2 H 1 1.656 0.007 . . . . . A 35 GLU QB . 25567 1 387 . 1 1 35 35 GLU HB3 H 1 1.656 0.007 . . . . . A 35 GLU QB . 25567 1 388 . 1 1 35 35 GLU HG2 H 1 1.672 0.007 . . . . . A 35 GLU QG . 25567 1 389 . 1 1 35 35 GLU HG3 H 1 1.672 0.007 . . . . . A 35 GLU QG . 25567 1 390 . 1 1 35 35 GLU C C 13 172.875 0.166 . . . . . A 35 GLU C . 25567 1 391 . 1 1 35 35 GLU CA C 13 52.640 0.166 . . . . . A 35 GLU CA . 25567 1 392 . 1 1 35 35 GLU CB C 13 29.268 0.166 . . . . . A 35 GLU CB . 25567 1 393 . 1 1 35 35 GLU CG C 13 33.978 0.166 . . . . . A 35 GLU CG . 25567 1 394 . 1 1 35 35 GLU N N 15 122.766 0.121 . . . . . A 35 GLU N . 25567 1 395 . 1 1 36 36 VAL H H 1 8.632 0.007 . . . . . A 36 VAL H . 25567 1 396 . 1 1 36 36 VAL HA H 1 3.861 0.007 . . . . . A 36 VAL HA . 25567 1 397 . 1 1 36 36 VAL HB H 1 1.938 0.007 . . . . . A 36 VAL HB . 25567 1 398 . 1 1 36 36 VAL HG11 H 1 0.761 0.007 . . . . . A 36 VAL QG1 . 25567 1 399 . 1 1 36 36 VAL HG12 H 1 0.761 0.007 . . . . . A 36 VAL QG1 . 25567 1 400 . 1 1 36 36 VAL HG13 H 1 0.761 0.007 . . . . . A 36 VAL QG1 . 25567 1 401 . 1 1 36 36 VAL HG21 H 1 0.787 0.007 . . . . . A 36 VAL QG2 . 25567 1 402 . 1 1 36 36 VAL HG22 H 1 0.787 0.007 . . . . . A 36 VAL QG2 . 25567 1 403 . 1 1 36 36 VAL HG23 H 1 0.787 0.007 . . . . . A 36 VAL QG2 . 25567 1 404 . 1 1 36 36 VAL C C 13 171.451 0.166 . . . . . A 36 VAL C . 25567 1 405 . 1 1 36 36 VAL CA C 13 59.537 0.166 . . . . . A 36 VAL CA . 25567 1 406 . 1 1 36 36 VAL CB C 13 29.689 0.166 . . . . . A 36 VAL CB . 25567 1 407 . 1 1 36 36 VAL CG1 C 13 19.350 0.166 . . . . . A 36 VAL CG1 . 25567 1 408 . 1 1 36 36 VAL CG2 C 13 19.926 0.166 . . . . . A 36 VAL CG2 . 25567 1 409 . 1 1 36 36 VAL N N 15 126.674 0.121 . . . . . A 36 VAL N . 25567 1 410 . 1 1 37 37 LYS H H 1 7.867 0.007 . . . . . A 37 LYS H . 25567 1 411 . 1 1 37 37 LYS HA H 1 4.939 0.007 . . . . . A 37 LYS HA . 25567 1 412 . 1 1 37 37 LYS HB2 H 1 1.676 0.007 . . . . . A 37 LYS HB2 . 25567 1 413 . 1 1 37 37 LYS HB3 H 1 1.893 0.007 . . . . . A 37 LYS HB3 . 25567 1 414 . 1 1 37 37 LYS HG2 H 1 1.314 0.007 . . . . . A 37 LYS QG . 25567 1 415 . 1 1 37 37 LYS HG3 H 1 1.314 0.007 . . . . . A 37 LYS QG . 25567 1 416 . 1 1 37 37 LYS HD2 H 1 1.601 0.007 . . . . . A 37 LYS QD . 25567 1 417 . 1 1 37 37 LYS HD3 H 1 1.601 0.007 . . . . . A 37 LYS QD . 25567 1 418 . 1 1 37 37 LYS HE2 H 1 2.901 0.007 . . . . . A 37 LYS QE . 25567 1 419 . 1 1 37 37 LYS HE3 H 1 2.901 0.007 . . . . . A 37 LYS QE . 25567 1 420 . 1 1 37 37 LYS CA C 13 52.179 0.166 . . . . . A 37 LYS CA . 25567 1 421 . 1 1 37 37 LYS CB C 13 32.898 0.166 . . . . . A 37 LYS CB . 25567 1 422 . 1 1 37 37 LYS CG C 13 22.968 0.166 . . . . . A 37 LYS CG . 25567 1 423 . 1 1 37 37 LYS CD C 13 26.413 0.166 . . . . . A 37 LYS CD . 25567 1 424 . 1 1 37 37 LYS CE C 13 39.691 0.166 . . . . . A 37 LYS CE . 25567 1 425 . 1 1 37 37 LYS N N 15 126.181 0.121 . . . . . A 37 LYS N . 25567 1 426 . 1 1 38 38 VAL H H 1 8.389 0.007 . . . . . A 38 VAL H . 25567 1 427 . 1 1 38 38 VAL HA H 1 4.686 0.007 . . . . . A 38 VAL HA . 25567 1 428 . 1 1 38 38 VAL HB H 1 2.276 0.007 . . . . . A 38 VAL HB . 25567 1 429 . 1 1 38 38 VAL HG11 H 1 0.935 0.007 . . . . . A 38 VAL QG1 . 25567 1 430 . 1 1 38 38 VAL HG12 H 1 0.935 0.007 . . . . . A 38 VAL QG1 . 25567 1 431 . 1 1 38 38 VAL HG13 H 1 0.935 0.007 . . . . . A 38 VAL QG1 . 25567 1 432 . 1 1 38 38 VAL HG21 H 1 0.998 0.007 . . . . . A 38 VAL QG2 . 25567 1 433 . 1 1 38 38 VAL HG22 H 1 0.998 0.007 . . . . . A 38 VAL QG2 . 25567 1 434 . 1 1 38 38 VAL HG23 H 1 0.998 0.007 . . . . . A 38 VAL QG2 . 25567 1 435 . 1 1 38 38 VAL C C 13 173.633 0.166 . . . . . A 38 VAL C . 25567 1 436 . 1 1 38 38 VAL CA C 13 57.284 0.166 . . . . . A 38 VAL CA . 25567 1 437 . 1 1 38 38 VAL CB C 13 31.964 0.166 . . . . . A 38 VAL CB . 25567 1 438 . 1 1 38 38 VAL CG1 C 13 19.820 0.166 . . . . . A 38 VAL CG1 . 25567 1 439 . 1 1 38 38 VAL CG2 C 13 17.816 0.166 . . . . . A 38 VAL CG2 . 25567 1 440 . 1 1 38 38 VAL N N 15 113.540 0.121 . . . . . A 38 VAL N . 25567 1 441 . 1 1 39 39 SER H H 1 8.668 0.007 . . . . . A 39 SER H . 25567 1 442 . 1 1 39 39 SER HA H 1 4.194 0.007 . . . . . A 39 SER HA . 25567 1 443 . 1 1 39 39 SER HB2 H 1 3.715 0.007 . . . . . A 39 SER HB2 . 25567 1 444 . 1 1 39 39 SER HB3 H 1 3.669 0.007 . . . . . A 39 SER HB3 . 25567 1 445 . 1 1 39 39 SER C C 13 173.059 0.166 . . . . . A 39 SER C . 25567 1 446 . 1 1 39 39 SER CA C 13 56.227 0.166 . . . . . A 39 SER CA . 25567 1 447 . 1 1 39 39 SER CB C 13 60.771 0.166 . . . . . A 39 SER CB . 25567 1 448 . 1 1 39 39 SER N N 15 118.860 0.121 . . . . . A 39 SER N . 25567 1 449 . 1 1 40 40 GLU H H 1 8.878 0.007 . . . . . A 40 GLU H . 25567 1 450 . 1 1 40 40 GLU HA H 1 4.157 0.007 . . . . . A 40 GLU HA . 25567 1 451 . 1 1 40 40 GLU HB2 H 1 1.980 0.007 . . . . . A 40 GLU QB . 25567 1 452 . 1 1 40 40 GLU HB3 H 1 1.980 0.007 . . . . . A 40 GLU QB . 25567 1 453 . 1 1 40 40 GLU HG2 H 1 2.305 0.007 . . . . . A 40 GLU QG . 25567 1 454 . 1 1 40 40 GLU HG3 H 1 2.305 0.007 . . . . . A 40 GLU QG . 25567 1 455 . 1 1 40 40 GLU C C 13 174.484 0.166 . . . . . A 40 GLU C . 25567 1 456 . 1 1 40 40 GLU CA C 13 55.550 0.166 . . . . . A 40 GLU CA . 25567 1 457 . 1 1 40 40 GLU CB C 13 27.054 0.166 . . . . . A 40 GLU CB . 25567 1 458 . 1 1 40 40 GLU CG C 13 33.567 0.166 . . . . . A 40 GLU CG . 25567 1 459 . 1 1 40 40 GLU N N 15 125.769 0.121 . . . . . A 40 GLU N . 25567 1 460 . 1 1 41 41 GLY H H 1 8.743 0.007 . . . . . A 41 GLY H . 25567 1 461 . 1 1 41 41 GLY HA2 H 1 4.095 0.007 . . . . . A 41 GLY HA2 . 25567 1 462 . 1 1 41 41 GLY HA3 H 1 3.811 0.007 . . . . . A 41 GLY HA3 . 25567 1 463 . 1 1 41 41 GLY CA C 13 42.707 0.166 . . . . . A 41 GLY CA . 25567 1 464 . 1 1 41 41 GLY N N 15 112.165 0.121 . . . . . A 41 GLY N . 25567 1 465 . 1 1 44 44 ASP H H 1 7.918 0.007 . . . . . A 44 ASP H . 25567 1 466 . 1 1 44 44 ASP HB2 H 1 2.390 0.007 . . . . . A 44 ASP HB2 . 25567 1 467 . 1 1 44 44 ASP HB3 H 1 2.675 0.007 . . . . . A 44 ASP HB3 . 25567 1 468 . 1 1 44 44 ASP CB C 13 42.156 0.166 . . . . . A 44 ASP CB . 25567 1 469 . 1 1 44 44 ASP N N 15 122.324 0.121 . . . . . A 44 ASP N . 25567 1 470 . 1 1 45 45 ALA HA H 1 4.062 0.007 . . . . . A 45 ALA HA . 25567 1 471 . 1 1 45 45 ALA CA C 13 51.410 0.166 . . . . . A 45 ALA CA . 25567 1 472 . 1 1 45 45 ALA CB C 13 16.376 0.166 . . . . . A 45 ALA CB . 25567 1 473 . 1 1 47 47 MET CA C 13 54.118 0.166 . . . . . A 47 MET CA . 25567 1 474 . 1 1 47 47 MET CB C 13 27.527 0.166 . . . . . A 47 MET CB . 25567 1 475 . 1 1 48 48 TYR H H 1 7.810 0.007 . . . . . A 48 TYR H . 25567 1 476 . 1 1 48 48 TYR HA H 1 4.154 0.007 . . . . . A 48 TYR HA . 25567 1 477 . 1 1 48 48 TYR HB2 H 1 3.006 0.007 . . . . . A 48 TYR QB . 25567 1 478 . 1 1 48 48 TYR HB3 H 1 3.006 0.007 . . . . . A 48 TYR QB . 25567 1 479 . 1 1 48 48 TYR HD1 H 1 7.014 0.007 . . . . . A 48 TYR QD . 25567 1 480 . 1 1 48 48 TYR HD2 H 1 7.014 0.007 . . . . . A 48 TYR QD . 25567 1 481 . 1 1 48 48 TYR HE1 H 1 6.698 0.007 . . . . . A 48 TYR QE . 25567 1 482 . 1 1 48 48 TYR HE2 H 1 6.698 0.007 . . . . . A 48 TYR QE . 25567 1 483 . 1 1 48 48 TYR C C 13 172.217 0.166 . . . . . A 48 TYR C . 25567 1 484 . 1 1 48 48 TYR CA C 13 57.377 0.166 . . . . . A 48 TYR CA . 25567 1 485 . 1 1 48 48 TYR CB C 13 34.496 0.166 . . . . . A 48 TYR CB . 25567 1 486 . 1 1 48 48 TYR CD1 C 13 128.175 0.166 . . . . . A 48 TYR CD1 . 25567 1 487 . 1 1 48 48 TYR CE1 C 13 113.563 0.166 . . . . . A 48 TYR CE1 . 25567 1 488 . 1 1 48 48 TYR N N 15 120.075 0.121 . . . . . A 48 TYR N . 25567 1 489 . 1 1 49 49 LYS H H 1 8.116 0.007 . . . . . A 49 LYS H . 25567 1 490 . 1 1 49 49 LYS N N 15 118.369 0.121 . . . . . A 49 LYS N . 25567 1 491 . 1 1 50 50 THR H H 1 7.741 0.007 . . . . . A 50 THR H . 25567 1 492 . 1 1 50 50 THR HB H 1 3.793 0.007 . . . . . A 50 THR HB . 25567 1 493 . 1 1 50 50 THR HG21 H 1 0.402 0.007 . . . . . A 50 THR QG2 . 25567 1 494 . 1 1 50 50 THR HG22 H 1 0.402 0.007 . . . . . A 50 THR QG2 . 25567 1 495 . 1 1 50 50 THR HG23 H 1 0.402 0.007 . . . . . A 50 THR QG2 . 25567 1 496 . 1 1 50 50 THR CB C 13 66.373 0.166 . . . . . A 50 THR CB . 25567 1 497 . 1 1 50 50 THR CG2 C 13 18.065 0.166 . . . . . A 50 THR CG2 . 25567 1 498 . 1 1 50 50 THR N N 15 116.979 0.121 . . . . . A 50 THR N . 25567 1 499 . 1 1 51 51 SER H H 1 7.853 0.007 . . . . . A 51 SER H . 25567 1 500 . 1 1 51 51 SER HA H 1 3.771 0.007 . . . . . A 51 SER HA . 25567 1 501 . 1 1 51 51 SER HB2 H 1 3.682 0.007 . . . . . A 51 SER QB . 25567 1 502 . 1 1 51 51 SER HB3 H 1 3.682 0.007 . . . . . A 51 SER QB . 25567 1 503 . 1 1 51 51 SER C C 13 170.563 0.166 . . . . . A 51 SER C . 25567 1 504 . 1 1 51 51 SER CA C 13 54.840 0.166 . . . . . A 51 SER CA . 25567 1 505 . 1 1 51 51 SER CB C 13 60.318 0.166 . . . . . A 51 SER CB . 25567 1 506 . 1 1 51 51 SER N N 15 116.155 0.121 . . . . . A 51 SER N . 25567 1 507 . 1 1 54 54 ALA H H 1 8.207 0.007 . . . . . A 54 ALA H . 25567 1 508 . 1 1 54 54 ALA HA H 1 4.248 0.007 . . . . . A 54 ALA HA . 25567 1 509 . 1 1 54 54 ALA HB1 H 1 1.438 0.007 . . . . . A 54 ALA QB . 25567 1 510 . 1 1 54 54 ALA HB2 H 1 1.438 0.007 . . . . . A 54 ALA QB . 25567 1 511 . 1 1 54 54 ALA HB3 H 1 1.438 0.007 . . . . . A 54 ALA QB . 25567 1 512 . 1 1 54 54 ALA CA C 13 51.268 0.166 . . . . . A 54 ALA CA . 25567 1 513 . 1 1 54 54 ALA CB C 13 16.434 0.166 . . . . . A 54 ALA CB . 25567 1 514 . 1 1 54 54 ALA N N 15 123.234 0.121 . . . . . A 54 ALA N . 25567 1 515 . 1 1 55 55 LEU H H 1 7.960 0.007 . . . . . A 55 LEU H . 25567 1 516 . 1 1 55 55 LEU HA H 1 3.940 0.007 . . . . . A 55 LEU HA . 25567 1 517 . 1 1 55 55 LEU HB2 H 1 1.613 0.007 . . . . . A 55 LEU HB2 . 25567 1 518 . 1 1 55 55 LEU HB3 H 1 1.487 0.007 . . . . . A 55 LEU HB3 . 25567 1 519 . 1 1 55 55 LEU HG H 1 1.546 0.007 . . . . . A 55 LEU HG . 25567 1 520 . 1 1 55 55 LEU HD11 H 1 0.800 0.007 . . . . . A 55 LEU QD1 . 25567 1 521 . 1 1 55 55 LEU HD12 H 1 0.800 0.007 . . . . . A 55 LEU QD1 . 25567 1 522 . 1 1 55 55 LEU HD13 H 1 0.800 0.007 . . . . . A 55 LEU QD1 . 25567 1 523 . 1 1 55 55 LEU HD21 H 1 0.756 0.007 . . . . . A 55 LEU QD2 . 25567 1 524 . 1 1 55 55 LEU HD22 H 1 0.756 0.007 . . . . . A 55 LEU QD2 . 25567 1 525 . 1 1 55 55 LEU HD23 H 1 0.756 0.007 . . . . . A 55 LEU QD2 . 25567 1 526 . 1 1 55 55 LEU CA C 13 54.711 0.166 . . . . . A 55 LEU CA . 25567 1 527 . 1 1 55 55 LEU CB C 13 38.913 0.166 . . . . . A 55 LEU CB . 25567 1 528 . 1 1 55 55 LEU CG C 13 24.631 0.166 . . . . . A 55 LEU CG . 25567 1 529 . 1 1 55 55 LEU CD1 C 13 21.849 0.166 . . . . . A 55 LEU CD1 . 25567 1 530 . 1 1 55 55 LEU CD2 C 13 21.222 0.166 . . . . . A 55 LEU CD2 . 25567 1 531 . 1 1 55 55 LEU N N 15 118.603 0.121 . . . . . A 55 LEU N . 25567 1 532 . 1 1 58 58 ILE HA H 1 3.676 0.007 . . . . . A 58 ILE HA . 25567 1 533 . 1 1 58 58 ILE HB H 1 1.650 0.007 . . . . . A 58 ILE HB . 25567 1 534 . 1 1 58 58 ILE HG12 H 1 0.899 0.007 . . . . . A 58 ILE HG12 . 25567 1 535 . 1 1 58 58 ILE HG13 H 1 1.557 0.007 . . . . . A 58 ILE HG13 . 25567 1 536 . 1 1 58 58 ILE HG21 H 1 0.557 0.007 . . . . . A 58 ILE QG2 . 25567 1 537 . 1 1 58 58 ILE HG22 H 1 0.557 0.007 . . . . . A 58 ILE QG2 . 25567 1 538 . 1 1 58 58 ILE HG23 H 1 0.557 0.007 . . . . . A 58 ILE QG2 . 25567 1 539 . 1 1 58 58 ILE HD11 H 1 0.416 0.007 . . . . . A 58 ILE QD1 . 25567 1 540 . 1 1 58 58 ILE HD12 H 1 0.416 0.007 . . . . . A 58 ILE QD1 . 25567 1 541 . 1 1 58 58 ILE HD13 H 1 0.416 0.007 . . . . . A 58 ILE QD1 . 25567 1 542 . 1 1 58 58 ILE CA C 13 61.494 0.166 . . . . . A 58 ILE CA . 25567 1 543 . 1 1 58 58 ILE CB C 13 36.054 0.166 . . . . . A 58 ILE CB . 25567 1 544 . 1 1 58 58 ILE CG1 C 13 27.341 0.166 . . . . . A 58 ILE CG1 . 25567 1 545 . 1 1 58 58 ILE CG2 C 13 14.582 0.166 . . . . . A 58 ILE CG2 . 25567 1 546 . 1 1 58 58 ILE CD1 C 13 10.478 0.166 . . . . . A 58 ILE CD1 . 25567 1 547 . 1 1 59 59 GLN H H 1 8.268 0.007 . . . . . A 59 GLN H . 25567 1 548 . 1 1 59 59 GLN HA H 1 4.133 0.007 . . . . . A 59 GLN HA . 25567 1 549 . 1 1 59 59 GLN HB2 H 1 1.969 0.007 . . . . . A 59 GLN HB2 . 25567 1 550 . 1 1 59 59 GLN HB3 H 1 2.069 0.007 . . . . . A 59 GLN HB3 . 25567 1 551 . 1 1 59 59 GLN HG2 H 1 2.408 0.007 . . . . . A 59 GLN HG2 . 25567 1 552 . 1 1 59 59 GLN HG3 H 1 2.280 0.007 . . . . . A 59 GLN HG3 . 25567 1 553 . 1 1 59 59 GLN HE21 H 1 6.724 0.007 . . . . . A 59 GLN HE21 . 25567 1 554 . 1 1 59 59 GLN HE22 H 1 7.145 0.007 . . . . . A 59 GLN HE22 . 25567 1 555 . 1 1 59 59 GLN CA C 13 54.009 0.166 . . . . . A 59 GLN CA . 25567 1 556 . 1 1 59 59 GLN CB C 13 26.651 0.166 . . . . . A 59 GLN CB . 25567 1 557 . 1 1 59 59 GLN CG C 13 31.840 0.166 . . . . . A 59 GLN CG . 25567 1 558 . 1 1 59 59 GLN N N 15 117.579 0.121 . . . . . A 59 GLN N . 25567 1 559 . 1 1 59 59 GLN NE2 N 15 110.747 0.121 . . . . . A 59 GLN NE2 . 25567 1 560 . 1 1 60 60 GLY H H 1 7.780 0.007 . . . . . A 60 GLY H . 25567 1 561 . 1 1 60 60 GLY HA2 H 1 3.968 0.007 . . . . . A 60 GLY QA . 25567 1 562 . 1 1 60 60 GLY HA3 H 1 3.968 0.007 . . . . . A 60 GLY QA . 25567 1 563 . 1 1 60 60 GLY CA C 13 42.979 0.166 . . . . . A 60 GLY CA . 25567 1 564 . 1 1 60 60 GLY N N 15 107.308 0.121 . . . . . A 60 GLY N . 25567 1 565 . 1 1 61 61 ASN H H 1 8.108 0.007 . . . . . A 61 ASN H . 25567 1 566 . 1 1 61 61 ASN HA H 1 4.534 0.007 . . . . . A 61 ASN HA . 25567 1 567 . 1 1 61 61 ASN HB2 H 1 2.502 0.007 . . . . . A 61 ASN HB2 . 25567 1 568 . 1 1 61 61 ASN HB3 H 1 2.740 0.007 . . . . . A 61 ASN HB3 . 25567 1 569 . 1 1 61 61 ASN HD21 H 1 6.817 0.007 . . . . . A 61 ASN HD21 . 25567 1 570 . 1 1 61 61 ASN HD22 H 1 7.617 0.007 . . . . . A 61 ASN HD22 . 25567 1 571 . 1 1 61 61 ASN CA C 13 51.235 0.166 . . . . . A 61 ASN CA . 25567 1 572 . 1 1 61 61 ASN CB C 13 36.424 0.166 . . . . . A 61 ASN CB . 25567 1 573 . 1 1 61 61 ASN N N 15 117.747 0.121 . . . . . A 61 ASN N . 25567 1 574 . 1 1 61 61 ASN ND2 N 15 113.275 0.121 . . . . . A 61 ASN ND2 . 25567 1 575 . 1 1 64 64 PHE H H 1 8.300 0.007 . . . . . A 64 PHE H . 25567 1 576 . 1 1 64 64 PHE HA H 1 4.379 0.007 . . . . . A 64 PHE HA . 25567 1 577 . 1 1 64 64 PHE HB2 H 1 2.614 0.007 . . . . . A 64 PHE HB2 . 25567 1 578 . 1 1 64 64 PHE HB3 H 1 2.674 0.007 . . . . . A 64 PHE HB3 . 25567 1 579 . 1 1 64 64 PHE HD1 H 1 7.100 0.007 . . . . . A 64 PHE QD . 25567 1 580 . 1 1 64 64 PHE HD2 H 1 7.100 0.007 . . . . . A 64 PHE QD . 25567 1 581 . 1 1 64 64 PHE HE1 H 1 6.943 0.007 . . . . . A 64 PHE QE . 25567 1 582 . 1 1 64 64 PHE HE2 H 1 6.943 0.007 . . . . . A 64 PHE QE . 25567 1 583 . 1 1 64 64 PHE CA C 13 51.748 0.166 . . . . . A 64 PHE CA . 25567 1 584 . 1 1 64 64 PHE CB C 13 35.275 0.166 . . . . . A 64 PHE CB . 25567 1 585 . 1 1 64 64 PHE CD1 C 13 126.696 0.166 . . . . . A 64 PHE CD1 . 25567 1 586 . 1 1 64 64 PHE CE1 C 13 126.690 0.166 . . . . . A 64 PHE CE1 . 25567 1 587 . 1 1 64 64 PHE N N 15 120.102 0.121 . . . . . A 64 PHE N . 25567 1 588 . 1 1 65 65 PRO HA H 1 4.335 0.007 . . . . . A 65 PRO HA . 25567 1 589 . 1 1 65 65 PRO HB2 H 1 1.918 0.007 . . . . . A 65 PRO HB2 . 25567 1 590 . 1 1 65 65 PRO HB3 H 1 1.695 0.007 . . . . . A 65 PRO HB3 . 25567 1 591 . 1 1 65 65 PRO HG2 H 1 1.712 0.007 . . . . . A 65 PRO HG2 . 25567 1 592 . 1 1 65 65 PRO HG3 H 1 1.652 0.007 . . . . . A 65 PRO HG3 . 25567 1 593 . 1 1 65 65 PRO HD2 H 1 3.375 0.007 . . . . . A 65 PRO HD2 . 25567 1 594 . 1 1 65 65 PRO HD3 H 1 3.556 0.007 . . . . . A 65 PRO HD3 . 25567 1 595 . 1 1 65 65 PRO C C 13 173.870 0.166 . . . . . A 65 PRO C . 25567 1 596 . 1 1 65 65 PRO CA C 13 60.017 0.166 . . . . . A 65 PRO CA . 25567 1 597 . 1 1 65 65 PRO CB C 13 29.635 0.166 . . . . . A 65 PRO CB . 25567 1 598 . 1 1 65 65 PRO CG C 13 25.204 0.166 . . . . . A 65 PRO CG . 25567 1 599 . 1 1 65 65 PRO CD C 13 47.132 0.166 . . . . . A 65 PRO CD . 25567 1 600 . 1 1 66 66 GLU H H 1 8.316 0.007 . . . . . A 66 GLU H . 25567 1 601 . 1 1 66 66 GLU HA H 1 4.234 0.007 . . . . . A 66 GLU HA . 25567 1 602 . 1 1 66 66 GLU HB2 H 1 1.929 0.007 . . . . . A 66 GLU HB2 . 25567 1 603 . 1 1 66 66 GLU HB3 H 1 1.798 0.007 . . . . . A 66 GLU HB3 . 25567 1 604 . 1 1 66 66 GLU HG2 H 1 2.167 0.007 . . . . . A 66 GLU HG2 . 25567 1 605 . 1 1 66 66 GLU HG3 H 1 2.309 0.007 . . . . . A 66 GLU HG3 . 25567 1 606 . 1 1 66 66 GLU C C 13 173.981 0.166 . . . . . A 66 GLU C . 25567 1 607 . 1 1 66 66 GLU CA C 13 53.787 0.166 . . . . . A 66 GLU CA . 25567 1 608 . 1 1 66 66 GLU CB C 13 27.775 0.166 . . . . . A 66 GLU CB . 25567 1 609 . 1 1 66 66 GLU CG C 13 34.020 0.166 . . . . . A 66 GLU CG . 25567 1 610 . 1 1 66 66 GLU N N 15 121.258 0.121 . . . . . A 66 GLU N . 25567 1 611 . 1 1 67 67 ILE H H 1 8.366 0.007 . . . . . A 67 ILE H . 25567 1 612 . 1 1 67 67 ILE HA H 1 5.129 0.007 . . . . . A 67 ILE HA . 25567 1 613 . 1 1 67 67 ILE HB H 1 1.729 0.007 . . . . . A 67 ILE HB . 25567 1 614 . 1 1 67 67 ILE HG12 H 1 1.205 0.007 . . . . . A 67 ILE HG12 . 25567 1 615 . 1 1 67 67 ILE HG13 H 1 0.971 0.007 . . . . . A 67 ILE HG13 . 25567 1 616 . 1 1 67 67 ILE HG21 H 1 0.660 0.007 . . . . . A 67 ILE QG2 . 25567 1 617 . 1 1 67 67 ILE HG22 H 1 0.660 0.007 . . . . . A 67 ILE QG2 . 25567 1 618 . 1 1 67 67 ILE HG23 H 1 0.660 0.007 . . . . . A 67 ILE QG2 . 25567 1 619 . 1 1 67 67 ILE HD11 H 1 0.582 0.007 . . . . . A 67 ILE QD1 . 25567 1 620 . 1 1 67 67 ILE HD12 H 1 0.582 0.007 . . . . . A 67 ILE QD1 . 25567 1 621 . 1 1 67 67 ILE HD13 H 1 0.582 0.007 . . . . . A 67 ILE QD1 . 25567 1 622 . 1 1 67 67 ILE C C 13 172.700 0.166 . . . . . A 67 ILE C . 25567 1 623 . 1 1 67 67 ILE CA C 13 56.439 0.166 . . . . . A 67 ILE CA . 25567 1 624 . 1 1 67 67 ILE CB C 13 39.159 0.166 . . . . . A 67 ILE CB . 25567 1 625 . 1 1 67 67 ILE CG1 C 13 21.664 0.166 . . . . . A 67 ILE CG1 . 25567 1 626 . 1 1 67 67 ILE CG2 C 13 14.725 0.166 . . . . . A 67 ILE CG2 . 25567 1 627 . 1 1 67 67 ILE CD1 C 13 11.265 0.166 . . . . . A 67 ILE CD1 . 25567 1 628 . 1 1 67 67 ILE N N 15 114.290 0.121 . . . . . A 67 ILE N . 25567 1 629 . 1 1 68 68 GLN H H 1 8.737 0.007 . . . . . A 68 GLN H . 25567 1 630 . 1 1 68 68 GLN HA H 1 4.501 0.007 . . . . . A 68 GLN HA . 25567 1 631 . 1 1 68 68 GLN HB2 H 1 1.711 0.007 . . . . . A 68 GLN HB2 . 25567 1 632 . 1 1 68 68 GLN HB3 H 1 1.836 0.007 . . . . . A 68 GLN HB3 . 25567 1 633 . 1 1 68 68 GLN HG2 H 1 2.109 0.007 . . . . . A 68 GLN QG . 25567 1 634 . 1 1 68 68 GLN HG3 H 1 2.109 0.007 . . . . . A 68 GLN QG . 25567 1 635 . 1 1 68 68 GLN HE21 H 1 7.268 0.007 . . . . . A 68 GLN HE21 . 25567 1 636 . 1 1 68 68 GLN HE22 H 1 6.662 0.007 . . . . . A 68 GLN HE22 . 25567 1 637 . 1 1 68 68 GLN C C 13 171.675 0.166 . . . . . A 68 GLN C . 25567 1 638 . 1 1 68 68 GLN CA C 13 52.273 0.166 . . . . . A 68 GLN CA . 25567 1 639 . 1 1 68 68 GLN CB C 13 27.143 0.166 . . . . . A 68 GLN CB . 25567 1 640 . 1 1 68 68 GLN CG C 13 30.948 0.166 . . . . . A 68 GLN CG . 25567 1 641 . 1 1 68 68 GLN N N 15 121.422 0.121 . . . . . A 68 GLN N . 25567 1 642 . 1 1 68 68 GLN NE2 N 15 110.896 0.121 . . . . . A 68 GLN NE2 . 25567 1 643 . 1 1 69 69 LEU H H 1 8.051 0.007 . . . . . A 69 LEU H . 25567 1 644 . 1 1 69 69 LEU HA H 1 4.506 0.007 . . . . . A 69 LEU HA . 25567 1 645 . 1 1 69 69 LEU HB2 H 1 1.416 0.007 . . . . . A 69 LEU HB2 . 25567 1 646 . 1 1 69 69 LEU HB3 H 1 1.653 0.007 . . . . . A 69 LEU HB3 . 25567 1 647 . 1 1 69 69 LEU HG H 1 1.732 0.007 . . . . . A 69 LEU HG . 25567 1 648 . 1 1 69 69 LEU HD11 H 1 0.789 0.007 . . . . . A 69 LEU QD1 . 25567 1 649 . 1 1 69 69 LEU HD12 H 1 0.789 0.007 . . . . . A 69 LEU QD1 . 25567 1 650 . 1 1 69 69 LEU HD13 H 1 0.789 0.007 . . . . . A 69 LEU QD1 . 25567 1 651 . 1 1 69 69 LEU HD21 H 1 0.792 0.007 . . . . . A 69 LEU QD2 . 25567 1 652 . 1 1 69 69 LEU HD22 H 1 0.792 0.007 . . . . . A 69 LEU QD2 . 25567 1 653 . 1 1 69 69 LEU HD23 H 1 0.792 0.007 . . . . . A 69 LEU QD2 . 25567 1 654 . 1 1 69 69 LEU C C 13 172.634 0.166 . . . . . A 69 LEU C . 25567 1 655 . 1 1 69 69 LEU CA C 13 51.759 0.166 . . . . . A 69 LEU CA . 25567 1 656 . 1 1 69 69 LEU CB C 13 42.404 0.166 . . . . . A 69 LEU CB . 25567 1 657 . 1 1 69 69 LEU CG C 13 24.187 0.166 . . . . . A 69 LEU CG . 25567 1 658 . 1 1 69 69 LEU CD1 C 13 24.019 0.166 . . . . . A 69 LEU CD1 . 25567 1 659 . 1 1 69 69 LEU CD2 C 13 23.151 0.166 . . . . . A 69 LEU CD2 . 25567 1 660 . 1 1 69 69 LEU N N 15 125.311 0.121 . . . . . A 69 LEU N . 25567 1 661 . 1 1 70 70 ASP H H 1 8.313 0.007 . . . . . A 70 ASP H . 25567 1 662 . 1 1 70 70 ASP HA H 1 4.423 0.007 . . . . . A 70 ASP HA . 25567 1 663 . 1 1 70 70 ASP HB2 H 1 2.311 0.007 . . . . . A 70 ASP HB2 . 25567 1 664 . 1 1 70 70 ASP HB3 H 1 2.599 0.007 . . . . . A 70 ASP HB3 . 25567 1 665 . 1 1 70 70 ASP CA C 13 51.610 0.166 . . . . . A 70 ASP CA . 25567 1 666 . 1 1 70 70 ASP CB C 13 38.717 0.166 . . . . . A 70 ASP CB . 25567 1 667 . 1 1 70 70 ASP N N 15 122.763 0.121 . . . . . A 70 ASP N . 25567 1 668 . 1 1 71 71 ASN H H 1 8.407 0.007 . . . . . A 71 ASN H . 25567 1 669 . 1 1 71 71 ASN HA H 1 4.337 0.007 . . . . . A 71 ASN HA . 25567 1 670 . 1 1 71 71 ASN HB2 H 1 2.624 0.007 . . . . . A 71 ASN HB2 . 25567 1 671 . 1 1 71 71 ASN HB3 H 1 2.690 0.007 . . . . . A 71 ASN HB3 . 25567 1 672 . 1 1 71 71 ASN HD21 H 1 7.518 0.007 . . . . . A 71 ASN HD21 . 25567 1 673 . 1 1 71 71 ASN HD22 H 1 6.793 0.007 . . . . . A 71 ASN HD22 . 25567 1 674 . 1 1 71 71 ASN C C 13 171.770 0.166 . . . . . A 71 ASN C . 25567 1 675 . 1 1 71 71 ASN CA C 13 51.491 0.166 . . . . . A 71 ASN CA . 25567 1 676 . 1 1 71 71 ASN CB C 13 35.326 0.166 . . . . . A 71 ASN CB . 25567 1 677 . 1 1 71 71 ASN N N 15 117.413 0.121 . . . . . A 71 ASN N . 25567 1 678 . 1 1 71 71 ASN ND2 N 15 112.791 0.121 . . . . . A 71 ASN ND2 . 25567 1 679 . 1 1 72 72 ILE H H 1 7.639 0.007 . . . . . A 72 ILE H . 25567 1 680 . 1 1 72 72 ILE HA H 1 3.940 0.007 . . . . . A 72 ILE HA . 25567 1 681 . 1 1 72 72 ILE HB H 1 1.089 0.007 . . . . . A 72 ILE HB . 25567 1 682 . 1 1 72 72 ILE HG12 H 1 0.722 0.007 . . . . . A 72 ILE HG12 . 25567 1 683 . 1 1 72 72 ILE HG13 H 1 1.178 0.007 . . . . . A 72 ILE HG13 . 25567 1 684 . 1 1 72 72 ILE HG21 H 1 0.307 0.007 . . . . . A 72 ILE QG2 . 25567 1 685 . 1 1 72 72 ILE HG22 H 1 0.307 0.007 . . . . . A 72 ILE QG2 . 25567 1 686 . 1 1 72 72 ILE HG23 H 1 0.307 0.007 . . . . . A 72 ILE QG2 . 25567 1 687 . 1 1 72 72 ILE HD11 H 1 0.641 0.007 . . . . . A 72 ILE QD1 . 25567 1 688 . 1 1 72 72 ILE HD12 H 1 0.641 0.007 . . . . . A 72 ILE QD1 . 25567 1 689 . 1 1 72 72 ILE HD13 H 1 0.641 0.007 . . . . . A 72 ILE QD1 . 25567 1 690 . 1 1 72 72 ILE C C 13 171.621 0.166 . . . . . A 72 ILE C . 25567 1 691 . 1 1 72 72 ILE CA C 13 57.332 0.166 . . . . . A 72 ILE CA . 25567 1 692 . 1 1 72 72 ILE CB C 13 38.489 0.166 . . . . . A 72 ILE CB . 25567 1 693 . 1 1 72 72 ILE CG1 C 13 24.540 0.166 . . . . . A 72 ILE CG1 . 25567 1 694 . 1 1 72 72 ILE CG2 C 13 15.234 0.166 . . . . . A 72 ILE CG2 . 25567 1 695 . 1 1 72 72 ILE CD1 C 13 11.808 0.166 . . . . . A 72 ILE CD1 . 25567 1 696 . 1 1 72 72 ILE N N 15 123.752 0.121 . . . . . A 72 ILE N . 25567 1 697 . 1 1 73 73 ASP H H 1 8.394 0.007 . . . . . A 73 ASP H . 25567 1 698 . 1 1 73 73 ASP HA H 1 4.625 0.007 . . . . . A 73 ASP HA . 25567 1 699 . 1 1 73 73 ASP HB2 H 1 2.351 0.007 . . . . . A 73 ASP HB2 . 25567 1 700 . 1 1 73 73 ASP HB3 H 1 2.812 0.007 . . . . . A 73 ASP HB3 . 25567 1 701 . 1 1 73 73 ASP C C 13 174.034 0.166 . . . . . A 73 ASP C . 25567 1 702 . 1 1 73 73 ASP CA C 13 49.203 0.166 . . . . . A 73 ASP CA . 25567 1 703 . 1 1 73 73 ASP CB C 13 37.024 0.166 . . . . . A 73 ASP CB . 25567 1 704 . 1 1 73 73 ASP N N 15 125.252 0.121 . . . . . A 73 ASP N . 25567 1 705 . 1 1 74 74 TYR H H 1 7.392 0.007 . . . . . A 74 TYR H . 25567 1 706 . 1 1 74 74 TYR HA H 1 3.878 0.007 . . . . . A 74 TYR HA . 25567 1 707 . 1 1 74 74 TYR HB2 H 1 2.836 0.007 . . . . . A 74 TYR HB2 . 25567 1 708 . 1 1 74 74 TYR HB3 H 1 2.661 0.007 . . . . . A 74 TYR HB3 . 25567 1 709 . 1 1 74 74 TYR HD1 H 1 6.843 0.007 . . . . . A 74 TYR QD . 25567 1 710 . 1 1 74 74 TYR HD2 H 1 6.843 0.007 . . . . . A 74 TYR QD . 25567 1 711 . 1 1 74 74 TYR HE1 H 1 6.484 0.007 . . . . . A 74 TYR QE . 25567 1 712 . 1 1 74 74 TYR HE2 H 1 6.484 0.007 . . . . . A 74 TYR QE . 25567 1 713 . 1 1 74 74 TYR C C 13 173.637 0.166 . . . . . A 74 TYR C . 25567 1 714 . 1 1 74 74 TYR CA C 13 59.474 0.166 . . . . . A 74 TYR CA . 25567 1 715 . 1 1 74 74 TYR CB C 13 34.722 0.166 . . . . . A 74 TYR CB . 25567 1 716 . 1 1 74 74 TYR CD2 C 13 127.135 0.166 . . . . . A 74 TYR CD2 . 25567 1 717 . 1 1 74 74 TYR CE2 C 13 114.115 0.166 . . . . . A 74 TYR CE2 . 25567 1 718 . 1 1 74 74 TYR N N 15 123.108 0.121 . . . . . A 74 TYR N . 25567 1 719 . 1 1 75 75 ASN H H 1 8.058 0.007 . . . . . A 75 ASN H . 25567 1 720 . 1 1 75 75 ASN HA H 1 4.926 0.007 . . . . . A 75 ASN HA . 25567 1 721 . 1 1 75 75 ASN HB2 H 1 2.864 0.007 . . . . . A 75 ASN HB2 . 25567 1 722 . 1 1 75 75 ASN HB3 H 1 2.963 0.007 . . . . . A 75 ASN HB3 . 25567 1 723 . 1 1 75 75 ASN HD21 H 1 8.044 0.007 . . . . . A 75 ASN HD21 . 25567 1 724 . 1 1 75 75 ASN HD22 H 1 7.181 0.007 . . . . . A 75 ASN HD22 . 25567 1 725 . 1 1 75 75 ASN C C 13 172.574 0.166 . . . . . A 75 ASN C . 25567 1 726 . 1 1 75 75 ASN CA C 13 52.761 0.166 . . . . . A 75 ASN CA . 25567 1 727 . 1 1 75 75 ASN CB C 13 35.617 0.166 . . . . . A 75 ASN CB . 25567 1 728 . 1 1 75 75 ASN N N 15 109.422 0.121 . . . . . A 75 ASN N . 25567 1 729 . 1 1 75 75 ASN ND2 N 15 115.399 0.121 . . . . . A 75 ASN ND2 . 25567 1 730 . 1 1 76 76 ASN H H 1 7.768 0.007 . . . . . A 76 ASN H . 25567 1 731 . 1 1 76 76 ASN HA H 1 4.455 0.007 . . . . . A 76 ASN HA . 25567 1 732 . 1 1 76 76 ASN HB2 H 1 2.275 0.007 . . . . . A 76 ASN HB2 . 25567 1 733 . 1 1 76 76 ASN HB3 H 1 2.398 0.007 . . . . . A 76 ASN HB3 . 25567 1 734 . 1 1 76 76 ASN HD21 H 1 7.102 0.007 . . . . . A 76 ASN HD21 . 25567 1 735 . 1 1 76 76 ASN HD22 H 1 6.871 0.007 . . . . . A 76 ASN HD22 . 25567 1 736 . 1 1 76 76 ASN C C 13 171.132 0.166 . . . . . A 76 ASN C . 25567 1 737 . 1 1 76 76 ASN CA C 13 51.167 0.166 . . . . . A 76 ASN CA . 25567 1 738 . 1 1 76 76 ASN CB C 13 35.728 0.166 . . . . . A 76 ASN CB . 25567 1 739 . 1 1 76 76 ASN N N 15 117.422 0.121 . . . . . A 76 ASN N . 25567 1 740 . 1 1 76 76 ASN ND2 N 15 111.727 0.121 . . . . . A 76 ASN ND2 . 25567 1 741 . 1 1 77 77 TYR H H 1 7.825 0.007 . . . . . A 77 TYR H . 25567 1 742 . 1 1 77 77 TYR HA H 1 4.363 0.007 . . . . . A 77 TYR HA . 25567 1 743 . 1 1 77 77 TYR HB2 H 1 3.148 0.007 . . . . . A 77 TYR HB2 . 25567 1 744 . 1 1 77 77 TYR HB3 H 1 2.762 0.007 . . . . . A 77 TYR HB3 . 25567 1 745 . 1 1 77 77 TYR HD1 H 1 6.889 0.007 . . . . . A 77 TYR QD . 25567 1 746 . 1 1 77 77 TYR HD2 H 1 6.889 0.007 . . . . . A 77 TYR QD . 25567 1 747 . 1 1 77 77 TYR HE1 H 1 6.736 0.007 . . . . . A 77 TYR QE . 25567 1 748 . 1 1 77 77 TYR HE2 H 1 6.736 0.007 . . . . . A 77 TYR QE . 25567 1 749 . 1 1 77 77 TYR C C 13 172.175 0.166 . . . . . A 77 TYR C . 25567 1 750 . 1 1 77 77 TYR CA C 13 55.364 0.166 . . . . . A 77 TYR CA . 25567 1 751 . 1 1 77 77 TYR CB C 13 37.165 0.166 . . . . . A 77 TYR CB . 25567 1 752 . 1 1 77 77 TYR CD2 C 13 129.408 0.166 . . . . . A 77 TYR CD2 . 25567 1 753 . 1 1 77 77 TYR CE2 C 13 113.607 0.166 . . . . . A 77 TYR CE2 . 25567 1 754 . 1 1 77 77 TYR N N 15 116.873 0.121 . . . . . A 77 TYR N . 25567 1 755 . 1 1 78 78 ASP H H 1 9.058 0.007 . . . . . A 78 ASP H . 25567 1 756 . 1 1 78 78 ASP HA H 1 4.805 0.007 . . . . . A 78 ASP HA . 25567 1 757 . 1 1 78 78 ASP HB2 H 1 2.873 0.007 . . . . . A 78 ASP HB2 . 25567 1 758 . 1 1 78 78 ASP HB3 H 1 2.447 0.007 . . . . . A 78 ASP HB3 . 25567 1 759 . 1 1 78 78 ASP C C 13 172.641 0.166 . . . . . A 78 ASP C . 25567 1 760 . 1 1 78 78 ASP CA C 13 53.255 0.166 . . . . . A 78 ASP CA . 25567 1 761 . 1 1 78 78 ASP CB C 13 41.075 0.166 . . . . . A 78 ASP CB . 25567 1 762 . 1 1 78 78 ASP N N 15 121.271 0.121 . . . . . A 78 ASP N . 25567 1 763 . 1 1 79 79 LEU H H 1 7.893 0.007 . . . . . A 79 LEU H . 25567 1 764 . 1 1 79 79 LEU HA H 1 5.114 0.007 . . . . . A 79 LEU HA . 25567 1 765 . 1 1 79 79 LEU HB2 H 1 1.821 0.007 . . . . . A 79 LEU HB2 . 25567 1 766 . 1 1 79 79 LEU HB3 H 1 1.203 0.007 . . . . . A 79 LEU HB3 . 25567 1 767 . 1 1 79 79 LEU HG H 1 1.160 0.007 . . . . . A 79 LEU HG . 25567 1 768 . 1 1 79 79 LEU HD11 H 1 0.649 0.007 . . . . . A 79 LEU QD1 . 25567 1 769 . 1 1 79 79 LEU HD12 H 1 0.649 0.007 . . . . . A 79 LEU QD1 . 25567 1 770 . 1 1 79 79 LEU HD13 H 1 0.649 0.007 . . . . . A 79 LEU QD1 . 25567 1 771 . 1 1 79 79 LEU HD21 H 1 0.785 0.007 . . . . . A 79 LEU QD2 . 25567 1 772 . 1 1 79 79 LEU HD22 H 1 0.785 0.007 . . . . . A 79 LEU QD2 . 25567 1 773 . 1 1 79 79 LEU HD23 H 1 0.785 0.007 . . . . . A 79 LEU QD2 . 25567 1 774 . 1 1 79 79 LEU C C 13 170.721 0.166 . . . . . A 79 LEU C . 25567 1 775 . 1 1 79 79 LEU CA C 13 51.316 0.166 . . . . . A 79 LEU CA . 25567 1 776 . 1 1 79 79 LEU CB C 13 42.342 0.166 . . . . . A 79 LEU CB . 25567 1 777 . 1 1 79 79 LEU CG C 13 25.475 0.166 . . . . . A 79 LEU CG . 25567 1 778 . 1 1 79 79 LEU CD1 C 13 20.612 0.166 . . . . . A 79 LEU CD1 . 25567 1 779 . 1 1 79 79 LEU CD2 C 13 23.225 0.166 . . . . . A 79 LEU CD2 . 25567 1 780 . 1 1 79 79 LEU N N 15 122.985 0.121 . . . . . A 79 LEU N . 25567 1 781 . 1 1 80 80 ILE H H 1 8.717 0.007 . . . . . A 80 ILE H . 25567 1 782 . 1 1 80 80 ILE HA H 1 5.089 0.007 . . . . . A 80 ILE HA . 25567 1 783 . 1 1 80 80 ILE HB H 1 1.334 0.007 . . . . . A 80 ILE HB . 25567 1 784 . 1 1 80 80 ILE HG12 H 1 1.725 0.007 . . . . . A 80 ILE HG12 . 25567 1 785 . 1 1 80 80 ILE HG13 H 1 0.770 0.007 . . . . . A 80 ILE HG13 . 25567 1 786 . 1 1 80 80 ILE HG21 H 1 0.562 0.007 . . . . . A 80 ILE QG2 . 25567 1 787 . 1 1 80 80 ILE HG22 H 1 0.562 0.007 . . . . . A 80 ILE QG2 . 25567 1 788 . 1 1 80 80 ILE HG23 H 1 0.562 0.007 . . . . . A 80 ILE QG2 . 25567 1 789 . 1 1 80 80 ILE HD11 H 1 0.097 0.007 . . . . . A 80 ILE QD1 . 25567 1 790 . 1 1 80 80 ILE HD12 H 1 0.097 0.007 . . . . . A 80 ILE QD1 . 25567 1 791 . 1 1 80 80 ILE HD13 H 1 0.097 0.007 . . . . . A 80 ILE QD1 . 25567 1 792 . 1 1 80 80 ILE C C 13 171.580 0.166 . . . . . A 80 ILE C . 25567 1 793 . 1 1 80 80 ILE CA C 13 57.417 0.166 . . . . . A 80 ILE CA . 25567 1 794 . 1 1 80 80 ILE CB C 13 38.136 0.166 . . . . . A 80 ILE CB . 25567 1 795 . 1 1 80 80 ILE CG1 C 13 25.138 0.166 . . . . . A 80 ILE CG1 . 25567 1 796 . 1 1 80 80 ILE CG2 C 13 14.300 0.166 . . . . . A 80 ILE CG2 . 25567 1 797 . 1 1 80 80 ILE CD1 C 13 10.945 0.166 . . . . . A 80 ILE CD1 . 25567 1 798 . 1 1 80 80 ILE N N 15 126.364 0.121 . . . . . A 80 ILE N . 25567 1 799 . 1 1 81 81 LEU H H 1 9.230 0.007 . . . . . A 81 LEU H . 25567 1 800 . 1 1 81 81 LEU HA H 1 5.135 0.007 . . . . . A 81 LEU HA . 25567 1 801 . 1 1 81 81 LEU HB2 H 1 1.884 0.007 . . . . . A 81 LEU HB2 . 25567 1 802 . 1 1 81 81 LEU HB3 H 1 1.451 0.007 . . . . . A 81 LEU HB3 . 25567 1 803 . 1 1 81 81 LEU HG H 1 1.595 0.007 . . . . . A 81 LEU HG . 25567 1 804 . 1 1 81 81 LEU HD11 H 1 0.819 0.007 . . . . . A 81 LEU QD1 . 25567 1 805 . 1 1 81 81 LEU HD12 H 1 0.819 0.007 . . . . . A 81 LEU QD1 . 25567 1 806 . 1 1 81 81 LEU HD13 H 1 0.819 0.007 . . . . . A 81 LEU QD1 . 25567 1 807 . 1 1 81 81 LEU HD21 H 1 0.798 0.007 . . . . . A 81 LEU QD2 . 25567 1 808 . 1 1 81 81 LEU HD22 H 1 0.798 0.007 . . . . . A 81 LEU QD2 . 25567 1 809 . 1 1 81 81 LEU HD23 H 1 0.798 0.007 . . . . . A 81 LEU QD2 . 25567 1 810 . 1 1 81 81 LEU C C 13 172.979 0.166 . . . . . A 81 LEU C . 25567 1 811 . 1 1 81 81 LEU CA C 13 49.633 0.166 . . . . . A 81 LEU CA . 25567 1 812 . 1 1 81 81 LEU CB C 13 42.159 0.166 . . . . . A 81 LEU CB . 25567 1 813 . 1 1 81 81 LEU CG C 13 25.832 0.166 . . . . . A 81 LEU CG . 25567 1 814 . 1 1 81 81 LEU CD1 C 13 23.265 0.166 . . . . . A 81 LEU CD1 . 25567 1 815 . 1 1 81 81 LEU CD2 C 13 24.573 0.166 . . . . . A 81 LEU CD2 . 25567 1 816 . 1 1 81 81 LEU N N 15 126.199 0.121 . . . . . A 81 LEU N . 25567 1 817 . 1 1 82 82 ILE H H 1 8.796 0.007 . . . . . A 82 ILE H . 25567 1 818 . 1 1 82 82 ILE HA H 1 4.916 0.007 . . . . . A 82 ILE HA . 25567 1 819 . 1 1 82 82 ILE HB H 1 1.518 0.007 . . . . . A 82 ILE HB . 25567 1 820 . 1 1 82 82 ILE HG12 H 1 1.556 0.007 . . . . . A 82 ILE HG12 . 25567 1 821 . 1 1 82 82 ILE HG13 H 1 0.867 0.007 . . . . . A 82 ILE HG13 . 25567 1 822 . 1 1 82 82 ILE HG21 H 1 0.763 0.007 . . . . . A 82 ILE QG2 . 25567 1 823 . 1 1 82 82 ILE HG22 H 1 0.763 0.007 . . . . . A 82 ILE QG2 . 25567 1 824 . 1 1 82 82 ILE HG23 H 1 0.763 0.007 . . . . . A 82 ILE QG2 . 25567 1 825 . 1 1 82 82 ILE HD11 H 1 0.765 0.007 . . . . . A 82 ILE QD1 . 25567 1 826 . 1 1 82 82 ILE HD12 H 1 0.765 0.007 . . . . . A 82 ILE QD1 . 25567 1 827 . 1 1 82 82 ILE HD13 H 1 0.765 0.007 . . . . . A 82 ILE QD1 . 25567 1 828 . 1 1 82 82 ILE C C 13 173.011 0.166 . . . . . A 82 ILE C . 25567 1 829 . 1 1 82 82 ILE CA C 13 56.828 0.166 . . . . . A 82 ILE CA . 25567 1 830 . 1 1 82 82 ILE CB C 13 38.068 0.166 . . . . . A 82 ILE CB . 25567 1 831 . 1 1 82 82 ILE CG1 C 13 25.441 0.166 . . . . . A 82 ILE CG1 . 25567 1 832 . 1 1 82 82 ILE CG2 C 13 15.842 0.166 . . . . . A 82 ILE CG2 . 25567 1 833 . 1 1 82 82 ILE CD1 C 13 12.201 0.166 . . . . . A 82 ILE CD1 . 25567 1 834 . 1 1 82 82 ILE N N 15 120.505 0.121 . . . . . A 82 ILE N . 25567 1 835 . 1 1 83 83 GLY H H 1 9.525 0.007 . . . . . A 83 GLY H . 25567 1 836 . 1 1 83 83 GLY HA2 H 1 1.926 0.007 . . . . . A 83 GLY HA2 . 25567 1 837 . 1 1 83 83 GLY HA3 H 1 4.027 0.007 . . . . . A 83 GLY HA3 . 25567 1 838 . 1 1 83 83 GLY CA C 13 40.803 0.166 . . . . . A 83 GLY CA . 25567 1 839 . 1 1 83 83 GLY N N 15 120.857 0.121 . . . . . A 83 GLY N . 25567 1 840 . 1 1 84 84 SER H H 1 7.617 0.007 . . . . . A 84 SER H . 25567 1 841 . 1 1 84 84 SER HA H 1 5.476 0.007 . . . . . A 84 SER HA . 25567 1 842 . 1 1 84 84 SER HB2 H 1 3.711 0.007 . . . . . A 84 SER HB2 . 25567 1 843 . 1 1 84 84 SER HB3 H 1 4.051 0.007 . . . . . A 84 SER HB3 . 25567 1 844 . 1 1 84 84 SER CA C 13 51.937 0.166 . . . . . A 84 SER CA . 25567 1 845 . 1 1 84 84 SER CB C 13 64.533 0.166 . . . . . A 84 SER CB . 25567 1 846 . 1 1 84 84 SER N N 15 116.007 0.121 . . . . . A 84 SER N . 25567 1 847 . 1 1 85 85 PRO HA H 1 5.201 0.007 . . . . . A 85 PRO HA . 25567 1 848 . 1 1 85 85 PRO HB2 H 1 1.969 0.007 . . . . . A 85 PRO HB2 . 25567 1 849 . 1 1 85 85 PRO HB3 H 1 2.693 0.007 . . . . . A 85 PRO HB3 . 25567 1 850 . 1 1 85 85 PRO HD2 H 1 3.921 0.007 . . . . . A 85 PRO HD2 . 25567 1 851 . 1 1 85 85 PRO HD3 H 1 4.170 0.007 . . . . . A 85 PRO HD3 . 25567 1 852 . 1 1 85 85 PRO C C 13 173.574 0.166 . . . . . A 85 PRO C . 25567 1 853 . 1 1 85 85 PRO CA C 13 59.488 0.166 . . . . . A 85 PRO CA . 25567 1 854 . 1 1 85 85 PRO CB C 13 31.140 0.166 . . . . . A 85 PRO CB . 25567 1 855 . 1 1 85 85 PRO CD C 13 47.830 0.166 . . . . . A 85 PRO CD . 25567 1 856 . 1 1 86 86 VAL H H 1 8.194 0.007 . . . . . A 86 VAL H . 25567 1 857 . 1 1 86 86 VAL HA H 1 4.373 0.007 . . . . . A 86 VAL HA . 25567 1 858 . 1 1 86 86 VAL HB H 1 2.032 0.007 . . . . . A 86 VAL HB . 25567 1 859 . 1 1 86 86 VAL HG11 H 1 0.810 0.007 . . . . . A 86 VAL QG1 . 25567 1 860 . 1 1 86 86 VAL HG12 H 1 0.810 0.007 . . . . . A 86 VAL QG1 . 25567 1 861 . 1 1 86 86 VAL HG13 H 1 0.810 0.007 . . . . . A 86 VAL QG1 . 25567 1 862 . 1 1 86 86 VAL HG21 H 1 0.522 0.007 . . . . . A 86 VAL QG2 . 25567 1 863 . 1 1 86 86 VAL HG22 H 1 0.522 0.007 . . . . . A 86 VAL QG2 . 25567 1 864 . 1 1 86 86 VAL HG23 H 1 0.522 0.007 . . . . . A 86 VAL QG2 . 25567 1 865 . 1 1 86 86 VAL C C 13 172.777 0.166 . . . . . A 86 VAL C . 25567 1 866 . 1 1 86 86 VAL CA C 13 59.603 0.166 . . . . . A 86 VAL CA . 25567 1 867 . 1 1 86 86 VAL CB C 13 29.573 0.166 . . . . . A 86 VAL CB . 25567 1 868 . 1 1 86 86 VAL CG1 C 13 19.251 0.166 . . . . . A 86 VAL CG1 . 25567 1 869 . 1 1 86 86 VAL CG2 C 13 18.520 0.166 . . . . . A 86 VAL CG2 . 25567 1 870 . 1 1 86 86 VAL N N 15 117.603 0.121 . . . . . A 86 VAL N . 25567 1 871 . 1 1 87 87 TRP H H 1 9.637 0.007 . . . . . A 87 TRP H . 25567 1 872 . 1 1 87 87 TRP HA H 1 5.198 0.007 . . . . . A 87 TRP HA . 25567 1 873 . 1 1 87 87 TRP HB2 H 1 3.196 0.007 . . . . . A 87 TRP HB2 . 25567 1 874 . 1 1 87 87 TRP HB3 H 1 2.911 0.007 . . . . . A 87 TRP HB3 . 25567 1 875 . 1 1 87 87 TRP HD1 H 1 7.382 0.007 . . . . . A 87 TRP HD1 . 25567 1 876 . 1 1 87 87 TRP HE1 H 1 9.755 0.007 . . . . . A 87 TRP HE1 . 25567 1 877 . 1 1 87 87 TRP HE3 H 1 7.581 0.007 . . . . . A 87 TRP HE3 . 25567 1 878 . 1 1 87 87 TRP HZ2 H 1 7.372 0.007 . . . . . A 87 TRP HZ2 . 25567 1 879 . 1 1 87 87 TRP HH2 H 1 7.155 0.007 . . . . . A 87 TRP HH2 . 25567 1 880 . 1 1 87 87 TRP C C 13 173.295 0.166 . . . . . A 87 TRP C . 25567 1 881 . 1 1 87 87 TRP CA C 13 50.784 0.166 . . . . . A 87 TRP CA . 25567 1 882 . 1 1 87 87 TRP CB C 13 27.746 0.166 . . . . . A 87 TRP CB . 25567 1 883 . 1 1 87 87 TRP CD1 C 13 122.374 0.166 . . . . . A 87 TRP CD1 . 25567 1 884 . 1 1 87 87 TRP CE3 C 13 115.766 0.166 . . . . . A 87 TRP CE3 . 25567 1 885 . 1 1 87 87 TRP CZ2 C 13 109.952 0.166 . . . . . A 87 TRP CZ2 . 25567 1 886 . 1 1 87 87 TRP CH2 C 13 120.064 0.166 . . . . . A 87 TRP CH2 . 25567 1 887 . 1 1 87 87 TRP N N 15 131.187 0.121 . . . . . A 87 TRP N . 25567 1 888 . 1 1 87 87 TRP NE1 N 15 129.071 0.121 . . . . . A 87 TRP NE1 . 25567 1 889 . 1 1 88 88 SER H H 1 9.272 0.007 . . . . . A 88 SER H . 25567 1 890 . 1 1 88 88 SER HA H 1 3.986 0.007 . . . . . A 88 SER HA . 25567 1 891 . 1 1 88 88 SER HB2 H 1 3.911 0.007 . . . . . A 88 SER HB2 . 25567 1 892 . 1 1 88 88 SER HB3 H 1 4.100 0.007 . . . . . A 88 SER HB3 . 25567 1 893 . 1 1 88 88 SER C C 13 172.375 0.166 . . . . . A 88 SER C . 25567 1 894 . 1 1 88 88 SER CA C 13 55.932 0.166 . . . . . A 88 SER CA . 25567 1 895 . 1 1 88 88 SER CB C 13 59.178 0.166 . . . . . A 88 SER CB . 25567 1 896 . 1 1 88 88 SER N N 15 119.829 0.121 . . . . . A 88 SER N . 25567 1 897 . 1 1 89 89 GLY H H 1 7.463 0.007 . . . . . A 89 GLY H . 25567 1 898 . 1 1 89 89 GLY HA2 H 1 4.141 0.007 . . . . . A 89 GLY HA2 . 25567 1 899 . 1 1 89 89 GLY HA3 H 1 3.415 0.007 . . . . . A 89 GLY HA3 . 25567 1 900 . 1 1 89 89 GLY CA C 13 42.671 0.166 . . . . . A 89 GLY CA . 25567 1 901 . 1 1 89 89 GLY N N 15 101.498 0.121 . . . . . A 89 GLY N . 25567 1 902 . 1 1 90 90 TYR H H 1 8.064 0.007 . . . . . A 90 TYR H . 25567 1 903 . 1 1 90 90 TYR HA H 1 4.216 0.007 . . . . . A 90 TYR HA . 25567 1 904 . 1 1 90 90 TYR HB2 H 1 2.803 0.007 . . . . . A 90 TYR QB . 25567 1 905 . 1 1 90 90 TYR HB3 H 1 2.803 0.007 . . . . . A 90 TYR QB . 25567 1 906 . 1 1 90 90 TYR HD1 H 1 6.513 0.007 . . . . . A 90 TYR QD . 25567 1 907 . 1 1 90 90 TYR HD2 H 1 6.513 0.007 . . . . . A 90 TYR QD . 25567 1 908 . 1 1 90 90 TYR HE1 H 1 6.315 0.007 . . . . . A 90 TYR QE . 25567 1 909 . 1 1 90 90 TYR HE2 H 1 6.315 0.007 . . . . . A 90 TYR QE . 25567 1 910 . 1 1 90 90 TYR CA C 13 54.090 0.166 . . . . . A 90 TYR CA . 25567 1 911 . 1 1 90 90 TYR CB C 13 37.195 0.166 . . . . . A 90 TYR CB . 25567 1 912 . 1 1 90 90 TYR CD2 C 13 127.946 0.166 . . . . . A 90 TYR CD2 . 25567 1 913 . 1 1 90 90 TYR CE2 C 13 112.495 0.166 . . . . . A 90 TYR CE2 . 25567 1 914 . 1 1 90 90 TYR N N 15 121.064 0.121 . . . . . A 90 TYR N . 25567 1 915 . 1 1 91 91 PRO HA H 1 4.932 0.007 . . . . . A 91 PRO HA . 25567 1 916 . 1 1 91 91 PRO HB2 H 1 1.900 0.007 . . . . . A 91 PRO QB . 25567 1 917 . 1 1 91 91 PRO HB3 H 1 1.900 0.007 . . . . . A 91 PRO QB . 25567 1 918 . 1 1 91 91 PRO HG2 H 1 1.240 0.007 . . . . . A 91 PRO QG . 25567 1 919 . 1 1 91 91 PRO HG3 H 1 1.240 0.007 . . . . . A 91 PRO QG . 25567 1 920 . 1 1 91 91 PRO HD2 H 1 2.550 0.007 . . . . . A 91 PRO HD2 . 25567 1 921 . 1 1 91 91 PRO HD3 H 1 2.034 0.007 . . . . . A 91 PRO HD3 . 25567 1 922 . 1 1 91 91 PRO C C 13 171.019 0.166 . . . . . A 91 PRO C . 25567 1 923 . 1 1 91 91 PRO CA C 13 58.994 0.166 . . . . . A 91 PRO CA . 25567 1 924 . 1 1 91 91 PRO CB C 13 26.493 0.166 . . . . . A 91 PRO CB . 25567 1 925 . 1 1 91 91 PRO CG C 13 25.246 0.166 . . . . . A 91 PRO CG . 25567 1 926 . 1 1 91 91 PRO CD C 13 46.073 0.166 . . . . . A 91 PRO CD . 25567 1 927 . 1 1 92 92 ALA H H 1 7.278 0.007 . . . . . A 92 ALA H . 25567 1 928 . 1 1 92 92 ALA HA H 1 3.451 0.007 . . . . . A 92 ALA HA . 25567 1 929 . 1 1 92 92 ALA HB1 H 1 0.062 0.007 . . . . . A 92 ALA QB . 25567 1 930 . 1 1 92 92 ALA HB2 H 1 0.062 0.007 . . . . . A 92 ALA QB . 25567 1 931 . 1 1 92 92 ALA HB3 H 1 0.062 0.007 . . . . . A 92 ALA QB . 25567 1 932 . 1 1 92 92 ALA C C 13 176.477 0.166 . . . . . A 92 ALA C . 25567 1 933 . 1 1 92 92 ALA CA C 13 49.567 0.166 . . . . . A 92 ALA CA . 25567 1 934 . 1 1 92 92 ALA CB C 13 15.801 0.166 . . . . . A 92 ALA CB . 25567 1 935 . 1 1 92 92 ALA N N 15 119.893 0.121 . . . . . A 92 ALA N . 25567 1 936 . 1 1 93 93 THR H H 1 6.861 0.007 . . . . . A 93 THR H . 25567 1 937 . 1 1 93 93 THR HA H 1 4.462 0.007 . . . . . A 93 THR HA . 25567 1 938 . 1 1 93 93 THR HB H 1 4.181 0.007 . . . . . A 93 THR HB . 25567 1 939 . 1 1 93 93 THR HG21 H 1 1.681 0.007 . . . . . A 93 THR QG2 . 25567 1 940 . 1 1 93 93 THR HG22 H 1 1.681 0.007 . . . . . A 93 THR QG2 . 25567 1 941 . 1 1 93 93 THR HG23 H 1 1.681 0.007 . . . . . A 93 THR QG2 . 25567 1 942 . 1 1 93 93 THR CA C 13 66.871 0.166 . . . . . A 93 THR CA . 25567 1 943 . 1 1 93 93 THR CB C 13 64.362 0.166 . . . . . A 93 THR CB . 25567 1 944 . 1 1 93 93 THR CG2 C 13 22.240 0.166 . . . . . A 93 THR CG2 . 25567 1 945 . 1 1 93 93 THR N N 15 112.992 0.121 . . . . . A 93 THR N . 25567 1 946 . 1 1 94 94 PRO HA H 1 3.866 0.007 . . . . . A 94 PRO HA . 25567 1 947 . 1 1 94 94 PRO HB2 H 1 0.775 0.007 . . . . . A 94 PRO QB . 25567 1 948 . 1 1 94 94 PRO HB3 H 1 0.775 0.007 . . . . . A 94 PRO QB . 25567 1 949 . 1 1 94 94 PRO HG2 H 1 0.626 0.007 . . . . . A 94 PRO HG2 . 25567 1 950 . 1 1 94 94 PRO HG3 H 1 1.159 0.007 . . . . . A 94 PRO HG3 . 25567 1 951 . 1 1 94 94 PRO HD2 H 1 3.983 0.007 . . . . . A 94 PRO HD2 . 25567 1 952 . 1 1 94 94 PRO HD3 H 1 2.486 0.007 . . . . . A 94 PRO HD3 . 25567 1 953 . 1 1 94 94 PRO CA C 13 63.021 0.166 . . . . . A 94 PRO CA . 25567 1 954 . 1 1 94 94 PRO CB C 13 29.279 0.166 . . . . . A 94 PRO CB . 25567 1 955 . 1 1 94 94 PRO CG C 13 26.020 0.166 . . . . . A 94 PRO CG . 25567 1 956 . 1 1 94 94 PRO CD C 13 47.553 0.166 . . . . . A 94 PRO CD . 25567 1 957 . 1 1 95 95 ILE H H 1 7.974 0.007 . . . . . A 95 ILE H . 25567 1 958 . 1 1 95 95 ILE HA H 1 3.623 0.007 . . . . . A 95 ILE HA . 25567 1 959 . 1 1 95 95 ILE HB H 1 2.707 0.007 . . . . . A 95 ILE HB . 25567 1 960 . 1 1 95 95 ILE HG12 H 1 1.699 0.007 . . . . . A 95 ILE HG12 . 25567 1 961 . 1 1 95 95 ILE HG13 H 1 1.445 0.007 . . . . . A 95 ILE HG13 . 25567 1 962 . 1 1 95 95 ILE HG21 H 1 1.037 0.007 . . . . . A 95 ILE QG2 . 25567 1 963 . 1 1 95 95 ILE HG22 H 1 1.037 0.007 . . . . . A 95 ILE QG2 . 25567 1 964 . 1 1 95 95 ILE HG23 H 1 1.037 0.007 . . . . . A 95 ILE QG2 . 25567 1 965 . 1 1 95 95 ILE HD11 H 1 0.656 0.007 . . . . . A 95 ILE QD1 . 25567 1 966 . 1 1 95 95 ILE HD12 H 1 0.656 0.007 . . . . . A 95 ILE QD1 . 25567 1 967 . 1 1 95 95 ILE HD13 H 1 0.656 0.007 . . . . . A 95 ILE QD1 . 25567 1 968 . 1 1 95 95 ILE C C 13 174.264 0.166 . . . . . A 95 ILE C . 25567 1 969 . 1 1 95 95 ILE CA C 13 57.448 0.166 . . . . . A 95 ILE CA . 25567 1 970 . 1 1 95 95 ILE CB C 13 31.929 0.166 . . . . . A 95 ILE CB . 25567 1 971 . 1 1 95 95 ILE CG1 C 13 25.908 0.166 . . . . . A 95 ILE CG1 . 25567 1 972 . 1 1 95 95 ILE CG2 C 13 16.225 0.166 . . . . . A 95 ILE CG2 . 25567 1 973 . 1 1 95 95 ILE CD1 C 13 5.778 0.166 . . . . . A 95 ILE CD1 . 25567 1 974 . 1 1 95 95 ILE N N 15 111.298 0.121 . . . . . A 95 ILE N . 25567 1 975 . 1 1 96 96 LYS H H 1 6.958 0.007 . . . . . A 96 LYS H . 25567 1 976 . 1 1 96 96 LYS HA H 1 3.112 0.007 . . . . . A 96 LYS HA . 25567 1 977 . 1 1 96 96 LYS HB2 H 1 0.778 0.007 . . . . . A 96 LYS HB2 . 25567 1 978 . 1 1 96 96 LYS HB3 H 1 -0.666 0.007 . . . . . A 96 LYS HB3 . 25567 1 979 . 1 1 96 96 LYS HG2 H 1 -0.677 0.007 . . . . . A 96 LYS HG2 . 25567 1 980 . 1 1 96 96 LYS HG3 H 1 -0.452 0.007 . . . . . A 96 LYS HG3 . 25567 1 981 . 1 1 96 96 LYS HD2 H 1 0.032 0.007 . . . . . A 96 LYS HD2 . 25567 1 982 . 1 1 96 96 LYS HD3 H 1 -0.286 0.007 . . . . . A 96 LYS HD3 . 25567 1 983 . 1 1 96 96 LYS HE2 H 1 2.029 0.007 . . . . . A 96 LYS HE2 . 25567 1 984 . 1 1 96 96 LYS HE3 H 1 1.878 0.007 . . . . . A 96 LYS HE3 . 25567 1 985 . 1 1 96 96 LYS C C 13 174.590 0.166 . . . . . A 96 LYS C . 25567 1 986 . 1 1 96 96 LYS CA C 13 57.145 0.166 . . . . . A 96 LYS CA . 25567 1 987 . 1 1 96 96 LYS CB C 13 28.845 0.166 . . . . . A 96 LYS CB . 25567 1 988 . 1 1 96 96 LYS CG C 13 20.779 0.166 . . . . . A 96 LYS CG . 25567 1 989 . 1 1 96 96 LYS CD C 13 24.357 0.166 . . . . . A 96 LYS CD . 25567 1 990 . 1 1 96 96 LYS CE C 13 39.451 0.166 . . . . . A 96 LYS CE . 25567 1 991 . 1 1 96 96 LYS N N 15 123.045 0.121 . . . . . A 96 LYS N . 25567 1 992 . 1 1 97 97 THR H H 1 6.366 0.007 . . . . . A 97 THR H . 25567 1 993 . 1 1 97 97 THR HA H 1 3.461 0.007 . . . . . A 97 THR HA . 25567 1 994 . 1 1 97 97 THR HB H 1 3.983 0.007 . . . . . A 97 THR HB . 25567 1 995 . 1 1 97 97 THR HG21 H 1 1.203 0.007 . . . . . A 97 THR QG2 . 25567 1 996 . 1 1 97 97 THR HG22 H 1 1.203 0.007 . . . . . A 97 THR QG2 . 25567 1 997 . 1 1 97 97 THR HG23 H 1 1.203 0.007 . . . . . A 97 THR QG2 . 25567 1 998 . 1 1 97 97 THR C C 13 173.247 0.166 . . . . . A 97 THR C . 25567 1 999 . 1 1 97 97 THR CA C 13 62.809 0.166 . . . . . A 97 THR CA . 25567 1 1000 . 1 1 97 97 THR CB C 13 65.654 0.166 . . . . . A 97 THR CB . 25567 1 1001 . 1 1 97 97 THR CG2 C 13 20.735 0.166 . . . . . A 97 THR CG2 . 25567 1 1002 . 1 1 97 97 THR N N 15 113.412 0.121 . . . . . A 97 THR N . 25567 1 1003 . 1 1 98 98 LEU H H 1 7.554 0.007 . . . . . A 98 LEU H . 25567 1 1004 . 1 1 98 98 LEU HA H 1 3.634 0.007 . . . . . A 98 LEU HA . 25567 1 1005 . 1 1 98 98 LEU HB2 H 1 1.100 0.007 . . . . . A 98 LEU HB2 . 25567 1 1006 . 1 1 98 98 LEU HB3 H 1 1.919 0.007 . . . . . A 98 LEU HB3 . 25567 1 1007 . 1 1 98 98 LEU HG H 1 1.311 0.007 . . . . . A 98 LEU HG . 25567 1 1008 . 1 1 98 98 LEU HD11 H 1 0.717 0.007 . . . . . A 98 LEU QD1 . 25567 1 1009 . 1 1 98 98 LEU HD12 H 1 0.717 0.007 . . . . . A 98 LEU QD1 . 25567 1 1010 . 1 1 98 98 LEU HD13 H 1 0.717 0.007 . . . . . A 98 LEU QD1 . 25567 1 1011 . 1 1 98 98 LEU HD21 H 1 0.731 0.007 . . . . . A 98 LEU QD2 . 25567 1 1012 . 1 1 98 98 LEU HD22 H 1 0.731 0.007 . . . . . A 98 LEU QD2 . 25567 1 1013 . 1 1 98 98 LEU HD23 H 1 0.731 0.007 . . . . . A 98 LEU QD2 . 25567 1 1014 . 1 1 98 98 LEU C C 13 174.590 0.166 . . . . . A 98 LEU C . 25567 1 1015 . 1 1 98 98 LEU CA C 13 55.621 0.166 . . . . . A 98 LEU CA . 25567 1 1016 . 1 1 98 98 LEU CB C 13 39.895 0.166 . . . . . A 98 LEU CB . 25567 1 1017 . 1 1 98 98 LEU CG C 13 24.400 0.166 . . . . . A 98 LEU CG . 25567 1 1018 . 1 1 98 98 LEU CD1 C 13 20.836 0.166 . . . . . A 98 LEU CD1 . 25567 1 1019 . 1 1 98 98 LEU CD2 C 13 24.697 0.166 . . . . . A 98 LEU CD2 . 25567 1 1020 . 1 1 98 98 LEU N N 15 121.201 0.121 . . . . . A 98 LEU N . 25567 1 1021 . 1 1 99 99 LEU H H 1 8.160 0.007 . . . . . A 99 LEU H . 25567 1 1022 . 1 1 99 99 LEU HA H 1 3.702 0.007 . . . . . A 99 LEU HA . 25567 1 1023 . 1 1 99 99 LEU HB2 H 1 0.962 0.007 . . . . . A 99 LEU HB2 . 25567 1 1024 . 1 1 99 99 LEU HB3 H 1 1.657 0.007 . . . . . A 99 LEU HB3 . 25567 1 1025 . 1 1 99 99 LEU HG H 1 1.619 0.007 . . . . . A 99 LEU HG . 25567 1 1026 . 1 1 99 99 LEU HD11 H 1 0.355 0.007 . . . . . A 99 LEU QD1 . 25567 1 1027 . 1 1 99 99 LEU HD12 H 1 0.355 0.007 . . . . . A 99 LEU QD1 . 25567 1 1028 . 1 1 99 99 LEU HD13 H 1 0.355 0.007 . . . . . A 99 LEU QD1 . 25567 1 1029 . 1 1 99 99 LEU HD21 H 1 0.560 0.007 . . . . . A 99 LEU QD2 . 25567 1 1030 . 1 1 99 99 LEU HD22 H 1 0.560 0.007 . . . . . A 99 LEU QD2 . 25567 1 1031 . 1 1 99 99 LEU HD23 H 1 0.560 0.007 . . . . . A 99 LEU QD2 . 25567 1 1032 . 1 1 99 99 LEU C C 13 177.457 0.166 . . . . . A 99 LEU C . 25567 1 1033 . 1 1 99 99 LEU CA C 13 55.179 0.166 . . . . . A 99 LEU CA . 25567 1 1034 . 1 1 99 99 LEU CB C 13 38.988 0.166 . . . . . A 99 LEU CB . 25567 1 1035 . 1 1 99 99 LEU CG C 13 24.802 0.166 . . . . . A 99 LEU CG . 25567 1 1036 . 1 1 99 99 LEU CD1 C 13 24.762 0.166 . . . . . A 99 LEU CD1 . 25567 1 1037 . 1 1 99 99 LEU CD2 C 13 20.340 0.166 . . . . . A 99 LEU CD2 . 25567 1 1038 . 1 1 99 99 LEU N N 15 118.677 0.121 . . . . . A 99 LEU N . 25567 1 1039 . 1 1 100 100 ASP H H 1 7.872 0.007 . . . . . A 100 ASP H . 25567 1 1040 . 1 1 100 100 ASP HA H 1 4.229 0.007 . . . . . A 100 ASP HA . 25567 1 1041 . 1 1 100 100 ASP HB2 H 1 2.701 0.007 . . . . . A 100 ASP HB2 . 25567 1 1042 . 1 1 100 100 ASP HB3 H 1 2.484 0.007 . . . . . A 100 ASP HB3 . 25567 1 1043 . 1 1 100 100 ASP C C 13 176.585 0.166 . . . . . A 100 ASP C . 25567 1 1044 . 1 1 100 100 ASP CA C 13 54.516 0.166 . . . . . A 100 ASP CA . 25567 1 1045 . 1 1 100 100 ASP CB C 13 37.579 0.166 . . . . . A 100 ASP CB . 25567 1 1046 . 1 1 100 100 ASP N N 15 118.914 0.121 . . . . . A 100 ASP N . 25567 1 1047 . 1 1 101 101 GLN H H 1 7.673 0.007 . . . . . A 101 GLN H . 25567 1 1048 . 1 1 101 101 GLN HA H 1 4.160 0.007 . . . . . A 101 GLN HA . 25567 1 1049 . 1 1 101 101 GLN HB2 H 1 2.311 0.007 . . . . . A 101 GLN HB2 . 25567 1 1050 . 1 1 101 101 GLN HB3 H 1 2.211 0.007 . . . . . A 101 GLN HB3 . 25567 1 1051 . 1 1 101 101 GLN HG2 H 1 2.469 0.007 . . . . . A 101 GLN HG2 . 25567 1 1052 . 1 1 101 101 GLN HG3 H 1 2.625 0.007 . . . . . A 101 GLN HG3 . 25567 1 1053 . 1 1 101 101 GLN HE21 H 1 6.725 0.007 . . . . . A 101 GLN HE21 . 25567 1 1054 . 1 1 101 101 GLN HE22 H 1 7.335 0.007 . . . . . A 101 GLN HE22 . 25567 1 1055 . 1 1 101 101 GLN C C 13 174.601 0.166 . . . . . A 101 GLN C . 25567 1 1056 . 1 1 101 101 GLN CA C 13 54.960 0.166 . . . . . A 101 GLN CA . 25567 1 1057 . 1 1 101 101 GLN CB C 13 25.550 0.166 . . . . . A 101 GLN CB . 25567 1 1058 . 1 1 101 101 GLN CG C 13 31.727 0.166 . . . . . A 101 GLN CG . 25567 1 1059 . 1 1 101 101 GLN N N 15 118.135 0.121 . . . . . A 101 GLN N . 25567 1 1060 . 1 1 101 101 GLN NE2 N 15 110.229 0.121 . . . . . A 101 GLN NE2 . 25567 1 1061 . 1 1 102 102 MET H H 1 7.462 0.007 . . . . . A 102 MET H . 25567 1 1062 . 1 1 102 102 MET HA H 1 3.826 0.007 . . . . . A 102 MET HA . 25567 1 1063 . 1 1 102 102 MET HB2 H 1 1.620 0.007 . . . . . A 102 MET HB2 . 25567 1 1064 . 1 1 102 102 MET HB3 H 1 1.989 0.007 . . . . . A 102 MET HB3 . 25567 1 1065 . 1 1 102 102 MET HG2 H 1 1.875 0.007 . . . . . A 102 MET HG2 . 25567 1 1066 . 1 1 102 102 MET HG3 H 1 1.062 0.007 . . . . . A 102 MET HG3 . 25567 1 1067 . 1 1 102 102 MET HE1 H 1 1.352 0.007 . . . . . A 102 MET QE . 25567 1 1068 . 1 1 102 102 MET HE2 H 1 1.352 0.007 . . . . . A 102 MET QE . 25567 1 1069 . 1 1 102 102 MET HE3 H 1 1.352 0.007 . . . . . A 102 MET QE . 25567 1 1070 . 1 1 102 102 MET C C 13 172.780 0.166 . . . . . A 102 MET C . 25567 1 1071 . 1 1 102 102 MET CA C 13 53.428 0.166 . . . . . A 102 MET CA . 25567 1 1072 . 1 1 102 102 MET CB C 13 31.221 0.166 . . . . . A 102 MET CB . 25567 1 1073 . 1 1 102 102 MET CG C 13 28.251 0.166 . . . . . A 102 MET CG . 25567 1 1074 . 1 1 102 102 MET CE C 13 13.755 0.166 . . . . . A 102 MET CE . 25567 1 1075 . 1 1 102 102 MET N N 15 118.420 0.121 . . . . . A 102 MET N . 25567 1 1076 . 1 1 103 103 LYS H H 1 6.875 0.007 . . . . . A 103 LYS H . 25567 1 1077 . 1 1 103 103 LYS HA H 1 3.920 0.007 . . . . . A 103 LYS HA . 25567 1 1078 . 1 1 103 103 LYS HB2 H 1 1.850 0.007 . . . . . A 103 LYS HB2 . 25567 1 1079 . 1 1 103 103 LYS HB3 H 1 1.793 0.007 . . . . . A 103 LYS HB3 . 25567 1 1080 . 1 1 103 103 LYS HG2 H 1 1.495 0.007 . . . . . A 103 LYS QG . 25567 1 1081 . 1 1 103 103 LYS HG3 H 1 1.495 0.007 . . . . . A 103 LYS QG . 25567 1 1082 . 1 1 103 103 LYS HD2 H 1 1.599 0.007 . . . . . A 103 LYS QD . 25567 1 1083 . 1 1 103 103 LYS HD3 H 1 1.599 0.007 . . . . . A 103 LYS QD . 25567 1 1084 . 1 1 103 103 LYS HE2 H 1 2.941 0.007 . . . . . A 103 LYS HE2 . 25567 1 1085 . 1 1 103 103 LYS HE3 H 1 2.895 0.007 . . . . . A 103 LYS HE3 . 25567 1 1086 . 1 1 103 103 LYS C C 13 173.922 0.166 . . . . . A 103 LYS C . 25567 1 1087 . 1 1 103 103 LYS CA C 13 56.282 0.166 . . . . . A 103 LYS CA . 25567 1 1088 . 1 1 103 103 LYS CB C 13 29.491 0.166 . . . . . A 103 LYS CB . 25567 1 1089 . 1 1 103 103 LYS CG C 13 21.458 0.166 . . . . . A 103 LYS CG . 25567 1 1090 . 1 1 103 103 LYS CD C 13 25.888 0.166 . . . . . A 103 LYS CD . 25567 1 1091 . 1 1 103 103 LYS CE C 13 39.669 0.166 . . . . . A 103 LYS CE . 25567 1 1092 . 1 1 103 103 LYS N N 15 116.066 0.121 . . . . . A 103 LYS N . 25567 1 1093 . 1 1 104 104 ASN H H 1 8.517 0.007 . . . . . A 104 ASN H . 25567 1 1094 . 1 1 104 104 ASN HA H 1 4.741 0.007 . . . . . A 104 ASN HA . 25567 1 1095 . 1 1 104 104 ASN HB2 H 1 2.890 0.007 . . . . . A 104 ASN HB2 . 25567 1 1096 . 1 1 104 104 ASN HB3 H 1 2.749 0.007 . . . . . A 104 ASN HB3 . 25567 1 1097 . 1 1 104 104 ASN HD21 H 1 6.905 0.007 . . . . . A 104 ASN HD21 . 25567 1 1098 . 1 1 104 104 ASN HD22 H 1 7.549 0.007 . . . . . A 104 ASN HD22 . 25567 1 1099 . 1 1 104 104 ASN C C 13 172.587 0.166 . . . . . A 104 ASN C . 25567 1 1100 . 1 1 104 104 ASN CA C 13 50.469 0.166 . . . . . A 104 ASN CA . 25567 1 1101 . 1 1 104 104 ASN CB C 13 35.822 0.166 . . . . . A 104 ASN CB . 25567 1 1102 . 1 1 104 104 ASN N N 15 114.987 0.121 . . . . . A 104 ASN N . 25567 1 1103 . 1 1 104 104 ASN ND2 N 15 113.202 0.121 . . . . . A 104 ASN ND2 . 25567 1 1104 . 1 1 105 105 TYR H H 1 8.287 0.007 . . . . . A 105 TYR H . 25567 1 1105 . 1 1 105 105 TYR HA H 1 4.575 0.007 . . . . . A 105 TYR HA . 25567 1 1106 . 1 1 105 105 TYR HB2 H 1 3.028 0.007 . . . . . A 105 TYR HB2 . 25567 1 1107 . 1 1 105 105 TYR HB3 H 1 2.736 0.007 . . . . . A 105 TYR HB3 . 25567 1 1108 . 1 1 105 105 TYR HD1 H 1 6.449 0.007 . . . . . A 105 TYR QD . 25567 1 1109 . 1 1 105 105 TYR HD2 H 1 6.449 0.007 . . . . . A 105 TYR QD . 25567 1 1110 . 1 1 105 105 TYR HE1 H 1 6.427 0.007 . . . . . A 105 TYR QE . 25567 1 1111 . 1 1 105 105 TYR HE2 H 1 6.427 0.007 . . . . . A 105 TYR QE . 25567 1 1112 . 1 1 105 105 TYR C C 13 174.260 0.166 . . . . . A 105 TYR C . 25567 1 1113 . 1 1 105 105 TYR CA C 13 55.493 0.166 . . . . . A 105 TYR CA . 25567 1 1114 . 1 1 105 105 TYR CB C 13 36.064 0.166 . . . . . A 105 TYR CB . 25567 1 1115 . 1 1 105 105 TYR CD1 C 13 128.011 0.166 . . . . . A 105 TYR CD1 . 25567 1 1116 . 1 1 105 105 TYR CE1 C 13 112.692 0.166 . . . . . A 105 TYR CE1 . 25567 1 1117 . 1 1 105 105 TYR N N 15 122.755 0.121 . . . . . A 105 TYR N . 25567 1 1118 . 1 1 106 106 ARG H H 1 8.841 0.007 . . . . . A 106 ARG H . 25567 1 1119 . 1 1 106 106 ARG HA H 1 4.273 0.007 . . . . . A 106 ARG HA . 25567 1 1120 . 1 1 106 106 ARG HB2 H 1 1.532 0.007 . . . . . A 106 ARG HB2 . 25567 1 1121 . 1 1 106 106 ARG HB3 H 1 1.919 0.007 . . . . . A 106 ARG HB3 . 25567 1 1122 . 1 1 106 106 ARG HG2 H 1 1.497 0.007 . . . . . A 106 ARG HG2 . 25567 1 1123 . 1 1 106 106 ARG HG3 H 1 1.612 0.007 . . . . . A 106 ARG HG3 . 25567 1 1124 . 1 1 106 106 ARG HD2 H 1 3.132 0.007 . . . . . A 106 ARG HD2 . 25567 1 1125 . 1 1 106 106 ARG HD3 H 1 3.063 0.007 . . . . . A 106 ARG HD3 . 25567 1 1126 . 1 1 106 106 ARG CA C 13 53.021 0.166 . . . . . A 106 ARG CA . 25567 1 1127 . 1 1 106 106 ARG CB C 13 28.130 0.166 . . . . . A 106 ARG CB . 25567 1 1128 . 1 1 106 106 ARG CG C 13 24.349 0.166 . . . . . A 106 ARG CG . 25567 1 1129 . 1 1 106 106 ARG CD C 13 40.494 0.166 . . . . . A 106 ARG CD . 25567 1 1130 . 1 1 106 106 ARG N N 15 128.905 0.121 . . . . . A 106 ARG N . 25567 1 1131 . 1 1 107 107 GLY HA2 H 1 4.264 0.007 . . . . . A 107 GLY HA2 . 25567 1 1132 . 1 1 107 107 GLY HA3 H 1 3.448 0.007 . . . . . A 107 GLY HA3 . 25567 1 1133 . 1 1 107 107 GLY CA C 13 42.497 0.166 . . . . . A 107 GLY CA . 25567 1 1134 . 1 1 108 108 GLU H H 1 7.536 0.007 . . . . . A 108 GLU H . 25567 1 1135 . 1 1 108 108 GLU HA H 1 4.631 0.007 . . . . . A 108 GLU HA . 25567 1 1136 . 1 1 108 108 GLU HB2 H 1 2.340 0.007 . . . . . A 108 GLU HB2 . 25567 1 1137 . 1 1 108 108 GLU HB3 H 1 1.691 0.007 . . . . . A 108 GLU HB3 . 25567 1 1138 . 1 1 108 108 GLU HG2 H 1 2.463 0.007 . . . . . A 108 GLU HG2 . 25567 1 1139 . 1 1 108 108 GLU HG3 H 1 2.078 0.007 . . . . . A 108 GLU HG3 . 25567 1 1140 . 1 1 108 108 GLU CA C 13 53.676 0.166 . . . . . A 108 GLU CA . 25567 1 1141 . 1 1 108 108 GLU CB C 13 30.402 0.166 . . . . . A 108 GLU CB . 25567 1 1142 . 1 1 108 108 GLU CG C 13 34.366 0.166 . . . . . A 108 GLU CG . 25567 1 1143 . 1 1 108 108 GLU N N 15 116.989 0.121 . . . . . A 108 GLU N . 25567 1 1144 . 1 1 109 109 VAL H H 1 8.955 0.007 . . . . . A 109 VAL H . 25567 1 1145 . 1 1 109 109 VAL HA H 1 5.321 0.007 . . . . . A 109 VAL HA . 25567 1 1146 . 1 1 109 109 VAL HB H 1 1.724 0.007 . . . . . A 109 VAL HB . 25567 1 1147 . 1 1 109 109 VAL HG11 H 1 0.857 0.007 . . . . . A 109 VAL QG1 . 25567 1 1148 . 1 1 109 109 VAL HG12 H 1 0.857 0.007 . . . . . A 109 VAL QG1 . 25567 1 1149 . 1 1 109 109 VAL HG13 H 1 0.857 0.007 . . . . . A 109 VAL QG1 . 25567 1 1150 . 1 1 109 109 VAL HG21 H 1 1.029 0.007 . . . . . A 109 VAL QG2 . 25567 1 1151 . 1 1 109 109 VAL HG22 H 1 1.029 0.007 . . . . . A 109 VAL QG2 . 25567 1 1152 . 1 1 109 109 VAL HG23 H 1 1.029 0.007 . . . . . A 109 VAL QG2 . 25567 1 1153 . 1 1 109 109 VAL CA C 13 57.443 0.166 . . . . . A 109 VAL CA . 25567 1 1154 . 1 1 109 109 VAL CB C 13 32.661 0.166 . . . . . A 109 VAL CB . 25567 1 1155 . 1 1 109 109 VAL CG1 C 13 19.263 0.166 . . . . . A 109 VAL CG1 . 25567 1 1156 . 1 1 109 109 VAL CG2 C 13 21.090 0.166 . . . . . A 109 VAL CG2 . 25567 1 1157 . 1 1 109 109 VAL N N 15 123.416 0.121 . . . . . A 109 VAL N . 25567 1 1158 . 1 1 110 110 ALA H H 1 8.860 0.007 . . . . . A 110 ALA H . 25567 1 1159 . 1 1 110 110 ALA HA H 1 4.677 0.007 . . . . . A 110 ALA HA . 25567 1 1160 . 1 1 110 110 ALA HB1 H 1 -0.406 0.007 . . . . . A 110 ALA QB . 25567 1 1161 . 1 1 110 110 ALA HB2 H 1 -0.406 0.007 . . . . . A 110 ALA QB . 25567 1 1162 . 1 1 110 110 ALA HB3 H 1 -0.406 0.007 . . . . . A 110 ALA QB . 25567 1 1163 . 1 1 110 110 ALA CA C 13 47.441 0.166 . . . . . A 110 ALA CA . 25567 1 1164 . 1 1 110 110 ALA CB C 13 18.416 0.166 . . . . . A 110 ALA CB . 25567 1 1165 . 1 1 110 110 ALA N N 15 127.975 0.121 . . . . . A 110 ALA N . 25567 1 1166 . 1 1 111 111 SER H H 1 7.484 0.007 . . . . . A 111 SER H . 25567 1 1167 . 1 1 111 111 SER HA H 1 5.502 0.007 . . . . . A 111 SER HA . 25567 1 1168 . 1 1 111 111 SER HB2 H 1 2.564 0.007 . . . . . A 111 SER HB2 . 25567 1 1169 . 1 1 111 111 SER HB3 H 1 2.445 0.007 . . . . . A 111 SER HB3 . 25567 1 1170 . 1 1 111 111 SER CA C 13 51.630 0.166 . . . . . A 111 SER CA . 25567 1 1171 . 1 1 111 111 SER CB C 13 62.267 0.166 . . . . . A 111 SER CB . 25567 1 1172 . 1 1 111 111 SER N N 15 110.482 0.121 . . . . . A 111 SER N . 25567 1 1173 . 1 1 112 112 PHE H H 1 8.025 0.007 . . . . . A 112 PHE H . 25567 1 1174 . 1 1 112 112 PHE HA H 1 6.448 0.007 . . . . . A 112 PHE HA . 25567 1 1175 . 1 1 112 112 PHE HB2 H 1 3.492 0.007 . . . . . A 112 PHE HB2 . 25567 1 1176 . 1 1 112 112 PHE HB3 H 1 2.728 0.007 . . . . . A 112 PHE HB3 . 25567 1 1177 . 1 1 112 112 PHE HD1 H 1 6.757 0.007 . . . . . A 112 PHE QD . 25567 1 1178 . 1 1 112 112 PHE HD2 H 1 6.757 0.007 . . . . . A 112 PHE QD . 25567 1 1179 . 1 1 112 112 PHE HE1 H 1 6.876 0.007 . . . . . A 112 PHE QE . 25567 1 1180 . 1 1 112 112 PHE HE2 H 1 6.876 0.007 . . . . . A 112 PHE QE . 25567 1 1181 . 1 1 112 112 PHE CA C 13 50.434 0.166 . . . . . A 112 PHE CA . 25567 1 1182 . 1 1 112 112 PHE CB C 13 40.500 0.166 . . . . . A 112 PHE CB . 25567 1 1183 . 1 1 112 112 PHE CD1 C 13 127.609 0.166 . . . . . A 112 PHE CD1 . 25567 1 1184 . 1 1 112 112 PHE CE1 C 13 125.271 0.166 . . . . . A 112 PHE CE1 . 25567 1 1185 . 1 1 112 112 PHE N N 15 125.082 0.121 . . . . . A 112 PHE N . 25567 1 1186 . 1 1 113 113 PHE H H 1 7.391 0.007 . . . . . A 113 PHE H . 25567 1 1187 . 1 1 113 113 PHE HA H 1 5.924 0.007 . . . . . A 113 PHE HA . 25567 1 1188 . 1 1 113 113 PHE HB2 H 1 2.215 0.007 . . . . . A 113 PHE HB2 . 25567 1 1189 . 1 1 113 113 PHE HB3 H 1 1.683 0.007 . . . . . A 113 PHE HB3 . 25567 1 1190 . 1 1 113 113 PHE HD1 H 1 6.308 0.007 . . . . . A 113 PHE QD . 25567 1 1191 . 1 1 113 113 PHE HD2 H 1 6.308 0.007 . . . . . A 113 PHE QD . 25567 1 1192 . 1 1 113 113 PHE HE1 H 1 6.516 0.007 . . . . . A 113 PHE QE . 25567 1 1193 . 1 1 113 113 PHE HE2 H 1 6.516 0.007 . . . . . A 113 PHE QE . 25567 1 1194 . 1 1 113 113 PHE C C 13 173.293 0.166 . . . . . A 113 PHE C . 25567 1 1195 . 1 1 113 113 PHE CA C 13 50.468 0.166 . . . . . A 113 PHE CA . 25567 1 1196 . 1 1 113 113 PHE CB C 13 38.393 0.166 . . . . . A 113 PHE CB . 25567 1 1197 . 1 1 113 113 PHE CD1 C 13 127.972 0.166 . . . . . A 113 PHE CD1 . 25567 1 1198 . 1 1 113 113 PHE CE1 C 13 124.243 0.166 . . . . . A 113 PHE CE1 . 25567 1 1199 . 1 1 113 113 PHE N N 15 115.872 0.121 . . . . . A 113 PHE N . 25567 1 1200 . 1 1 114 114 THR H H 1 7.951 0.007 . . . . . A 114 THR H . 25567 1 1201 . 1 1 114 114 THR HA H 1 4.933 0.007 . . . . . A 114 THR HA . 25567 1 1202 . 1 1 114 114 THR HB H 1 4.322 0.007 . . . . . A 114 THR HB . 25567 1 1203 . 1 1 114 114 THR HG21 H 1 1.188 0.007 . . . . . A 114 THR QG2 . 25567 1 1204 . 1 1 114 114 THR HG22 H 1 1.188 0.007 . . . . . A 114 THR QG2 . 25567 1 1205 . 1 1 114 114 THR HG23 H 1 1.188 0.007 . . . . . A 114 THR QG2 . 25567 1 1206 . 1 1 114 114 THR C C 13 171.891 0.166 . . . . . A 114 THR C . 25567 1 1207 . 1 1 114 114 THR CA C 13 56.815 0.166 . . . . . A 114 THR CA . 25567 1 1208 . 1 1 114 114 THR CB C 13 67.899 0.166 . . . . . A 114 THR CB . 25567 1 1209 . 1 1 114 114 THR CG2 C 13 19.334 0.166 . . . . . A 114 THR CG2 . 25567 1 1210 . 1 1 114 114 THR N N 15 108.721 0.121 . . . . . A 114 THR N . 25567 1 1211 . 1 1 115 115 SER H H 1 8.229 0.007 . . . . . A 115 SER H . 25567 1 1212 . 1 1 115 115 SER HA H 1 4.608 0.007 . . . . . A 115 SER HA . 25567 1 1213 . 1 1 115 115 SER HB2 H 1 3.787 0.007 . . . . . A 115 SER HB2 . 25567 1 1214 . 1 1 115 115 SER HB3 H 1 3.978 0.007 . . . . . A 115 SER HB3 . 25567 1 1215 . 1 1 115 115 SER C C 13 171.403 0.166 . . . . . A 115 SER C . 25567 1 1216 . 1 1 115 115 SER CA C 13 55.570 0.166 . . . . . A 115 SER CA . 25567 1 1217 . 1 1 115 115 SER CB C 13 61.418 0.166 . . . . . A 115 SER CB . 25567 1 1218 . 1 1 115 115 SER N N 15 115.159 0.121 . . . . . A 115 SER N . 25567 1 1219 . 1 1 116 116 ALA H H 1 8.813 0.007 . . . . . A 116 ALA H . 25567 1 1220 . 1 1 116 116 ALA HA H 1 4.456 0.007 . . . . . A 116 ALA HA . 25567 1 1221 . 1 1 116 116 ALA HB1 H 1 1.432 0.007 . . . . . A 116 ALA QB . 25567 1 1222 . 1 1 116 116 ALA HB2 H 1 1.432 0.007 . . . . . A 116 ALA QB . 25567 1 1223 . 1 1 116 116 ALA HB3 H 1 1.432 0.007 . . . . . A 116 ALA QB . 25567 1 1224 . 1 1 116 116 ALA C C 13 175.758 0.166 . . . . . A 116 ALA C . 25567 1 1225 . 1 1 116 116 ALA CA C 13 49.816 0.166 . . . . . A 116 ALA CA . 25567 1 1226 . 1 1 116 116 ALA CB C 13 16.831 0.166 . . . . . A 116 ALA CB . 25567 1 1227 . 1 1 116 116 ALA N N 15 127.211 0.121 . . . . . A 116 ALA N . 25567 1 1228 . 1 1 117 117 GLY H H 1 8.685 0.007 . . . . . A 117 GLY H . 25567 1 1229 . 1 1 117 117 GLY HA2 H 1 4.050 0.007 . . . . . A 117 GLY QA . 25567 1 1230 . 1 1 117 117 GLY HA3 H 1 4.050 0.007 . . . . . A 117 GLY QA . 25567 1 1231 . 1 1 117 117 GLY C C 13 171.805 0.166 . . . . . A 117 GLY C . 25567 1 1232 . 1 1 117 117 GLY CA C 13 42.869 0.166 . . . . . A 117 GLY CA . 25567 1 1233 . 1 1 117 117 GLY N N 15 108.099 0.121 . . . . . A 117 GLY N . 25567 1 1234 . 1 1 118 118 THR H H 1 7.998 0.007 . . . . . A 118 THR H . 25567 1 1235 . 1 1 118 118 THR HA H 1 4.343 0.007 . . . . . A 118 THR HA . 25567 1 1236 . 1 1 118 118 THR HB H 1 4.208 0.007 . . . . . A 118 THR HB . 25567 1 1237 . 1 1 118 118 THR HG21 H 1 1.047 0.007 . . . . . A 118 THR QG2 . 25567 1 1238 . 1 1 118 118 THR HG22 H 1 1.047 0.007 . . . . . A 118 THR QG2 . 25567 1 1239 . 1 1 118 118 THR HG23 H 1 1.047 0.007 . . . . . A 118 THR QG2 . 25567 1 1240 . 1 1 118 118 THR C C 13 171.769 0.166 . . . . . A 118 THR C . 25567 1 1241 . 1 1 118 118 THR CA C 13 58.933 0.166 . . . . . A 118 THR CA . 25567 1 1242 . 1 1 118 118 THR CB C 13 67.304 0.166 . . . . . A 118 THR CB . 25567 1 1243 . 1 1 118 118 THR CG2 C 13 19.106 0.166 . . . . . A 118 THR CG2 . 25567 1 1244 . 1 1 118 118 THR N N 15 111.284 0.121 . . . . . A 118 THR N . 25567 1 1245 . 1 1 119 119 ASN H H 1 8.381 0.007 . . . . . A 119 ASN H . 25567 1 1246 . 1 1 119 119 ASN HA H 1 4.703 0.007 . . . . . A 119 ASN HA . 25567 1 1247 . 1 1 119 119 ASN HB2 H 1 2.861 0.007 . . . . . A 119 ASN HB2 . 25567 1 1248 . 1 1 119 119 ASN HB3 H 1 2.671 0.007 . . . . . A 119 ASN HB3 . 25567 1 1249 . 1 1 119 119 ASN HD21 H 1 7.564 0.007 . . . . . A 119 ASN HD21 . 25567 1 1250 . 1 1 119 119 ASN HD22 H 1 6.876 0.007 . . . . . A 119 ASN HD22 . 25567 1 1251 . 1 1 119 119 ASN C C 13 172.353 0.166 . . . . . A 119 ASN C . 25567 1 1252 . 1 1 119 119 ASN CA C 13 50.228 0.166 . . . . . A 119 ASN CA . 25567 1 1253 . 1 1 119 119 ASN CB C 13 35.376 0.166 . . . . . A 119 ASN CB . 25567 1 1254 . 1 1 119 119 ASN N N 15 120.253 0.121 . . . . . A 119 ASN N . 25567 1 1255 . 1 1 119 119 ASN ND2 N 15 112.352 0.121 . . . . . A 119 ASN ND2 . 25567 1 1256 . 1 1 120 120 HIS HA H 1 4.086 0.007 . . . . . A 120 HIS HA . 25567 1 1257 . 1 1 120 120 HIS HB2 H 1 2.903 0.007 . . . . . A 120 HIS QB . 25567 1 1258 . 1 1 120 120 HIS HB3 H 1 2.903 0.007 . . . . . A 120 HIS QB . 25567 1 1259 . 1 1 120 120 HIS HD2 H 1 6.780 0.007 . . . . . A 120 HIS HD2 . 25567 1 1260 . 1 1 120 120 HIS C C 13 173.395 0.166 . . . . . A 120 HIS C . 25567 1 1261 . 1 1 120 120 HIS CA C 13 55.139 0.166 . . . . . A 120 HIS CA . 25567 1 1262 . 1 1 120 120 HIS CB C 13 28.422 0.166 . . . . . A 120 HIS CB . 25567 1 1263 . 1 1 120 120 HIS CD2 C 13 114.744 0.166 . . . . . A 120 HIS CD2 . 25567 1 1264 . 1 1 121 121 LYS H H 1 8.106 0.007 . . . . . A 121 LYS H . 25567 1 1265 . 1 1 121 121 LYS HA H 1 3.780 0.007 . . . . . A 121 LYS HA . 25567 1 1266 . 1 1 121 121 LYS HB2 H 1 1.732 0.007 . . . . . A 121 LYS HB2 . 25567 1 1267 . 1 1 121 121 LYS HB3 H 1 1.662 0.007 . . . . . A 121 LYS HB3 . 25567 1 1268 . 1 1 121 121 LYS HG2 H 1 1.267 0.007 . . . . . A 121 LYS HG2 . 25567 1 1269 . 1 1 121 121 LYS HG3 H 1 1.332 0.007 . . . . . A 121 LYS HG3 . 25567 1 1270 . 1 1 121 121 LYS HD2 H 1 1.597 0.007 . . . . . A 121 LYS QD . 25567 1 1271 . 1 1 121 121 LYS HD3 H 1 1.597 0.007 . . . . . A 121 LYS QD . 25567 1 1272 . 1 1 121 121 LYS HE2 H 1 2.937 0.007 . . . . . A 121 LYS QE . 25567 1 1273 . 1 1 121 121 LYS HE3 H 1 2.937 0.007 . . . . . A 121 LYS QE . 25567 1 1274 . 1 1 121 121 LYS C C 13 176.053 0.166 . . . . . A 121 LYS C . 25567 1 1275 . 1 1 121 121 LYS CA C 13 56.963 0.166 . . . . . A 121 LYS CA . 25567 1 1276 . 1 1 121 121 LYS CB C 13 29.660 0.166 . . . . . A 121 LYS CB . 25567 1 1277 . 1 1 121 121 LYS CG C 13 22.701 0.166 . . . . . A 121 LYS CG . 25567 1 1278 . 1 1 121 121 LYS CD C 13 26.369 0.166 . . . . . A 121 LYS CD . 25567 1 1279 . 1 1 121 121 LYS CE C 13 39.558 0.166 . . . . . A 121 LYS CE . 25567 1 1280 . 1 1 121 121 LYS N N 15 119.527 0.121 . . . . . A 121 LYS N . 25567 1 1281 . 1 1 122 122 ALA H H 1 7.702 0.007 . . . . . A 122 ALA H . 25567 1 1282 . 1 1 122 122 ALA HA H 1 3.721 0.007 . . . . . A 122 ALA HA . 25567 1 1283 . 1 1 122 122 ALA HB1 H 1 1.163 0.007 . . . . . A 122 ALA QB . 25567 1 1284 . 1 1 122 122 ALA HB2 H 1 1.163 0.007 . . . . . A 122 ALA QB . 25567 1 1285 . 1 1 122 122 ALA HB3 H 1 1.163 0.007 . . . . . A 122 ALA QB . 25567 1 1286 . 1 1 122 122 ALA C C 13 175.128 0.166 . . . . . A 122 ALA C . 25567 1 1287 . 1 1 122 122 ALA CA C 13 51.591 0.166 . . . . . A 122 ALA CA . 25567 1 1288 . 1 1 122 122 ALA CB C 13 15.704 0.166 . . . . . A 122 ALA CB . 25567 1 1289 . 1 1 122 122 ALA N N 15 121.585 0.121 . . . . . A 122 ALA N . 25567 1 1290 . 1 1 123 123 TYR H H 1 7.366 0.007 . . . . . A 123 TYR H . 25567 1 1291 . 1 1 123 123 TYR HA H 1 3.366 0.007 . . . . . A 123 TYR HA . 25567 1 1292 . 1 1 123 123 TYR HB2 H 1 2.159 0.007 . . . . . A 123 TYR HB2 . 25567 1 1293 . 1 1 123 123 TYR HB3 H 1 2.339 0.007 . . . . . A 123 TYR HB3 . 25567 1 1294 . 1 1 123 123 TYR HD1 H 1 6.156 0.007 . . . . . A 123 TYR QD . 25567 1 1295 . 1 1 123 123 TYR HD2 H 1 6.156 0.007 . . . . . A 123 TYR QD . 25567 1 1296 . 1 1 123 123 TYR HE1 H 1 6.171 0.007 . . . . . A 123 TYR QE . 25567 1 1297 . 1 1 123 123 TYR HE2 H 1 6.171 0.007 . . . . . A 123 TYR QE . 25567 1 1298 . 1 1 123 123 TYR CA C 13 60.091 0.166 . . . . . A 123 TYR CA . 25567 1 1299 . 1 1 123 123 TYR CB C 13 35.102 0.166 . . . . . A 123 TYR CB . 25567 1 1300 . 1 1 123 123 TYR CD1 C 13 128.565 0.166 . . . . . A 123 TYR CD1 . 25567 1 1301 . 1 1 123 123 TYR CE1 C 13 111.844 0.166 . . . . . A 123 TYR CE1 . 25567 1 1302 . 1 1 123 123 TYR N N 15 118.803 0.121 . . . . . A 123 TYR N . 25567 1 1303 . 1 1 124 124 VAL H H 1 7.757 0.007 . . . . . A 124 VAL H . 25567 1 1304 . 1 1 124 124 VAL HA H 1 3.199 0.007 . . . . . A 124 VAL HA . 25567 1 1305 . 1 1 124 124 VAL HB H 1 2.051 0.007 . . . . . A 124 VAL HB . 25567 1 1306 . 1 1 124 124 VAL HG11 H 1 0.878 0.007 . . . . . A 124 VAL QG1 . 25567 1 1307 . 1 1 124 124 VAL HG12 H 1 0.878 0.007 . . . . . A 124 VAL QG1 . 25567 1 1308 . 1 1 124 124 VAL HG13 H 1 0.878 0.007 . . . . . A 124 VAL QG1 . 25567 1 1309 . 1 1 124 124 VAL HG21 H 1 1.017 0.007 . . . . . A 124 VAL QG2 . 25567 1 1310 . 1 1 124 124 VAL HG22 H 1 1.017 0.007 . . . . . A 124 VAL QG2 . 25567 1 1311 . 1 1 124 124 VAL HG23 H 1 1.017 0.007 . . . . . A 124 VAL QG2 . 25567 1 1312 . 1 1 124 124 VAL C C 13 175.375 0.166 . . . . . A 124 VAL C . 25567 1 1313 . 1 1 124 124 VAL CA C 13 64.583 0.166 . . . . . A 124 VAL CA . 25567 1 1314 . 1 1 124 124 VAL CB C 13 29.203 0.166 . . . . . A 124 VAL CB . 25567 1 1315 . 1 1 124 124 VAL CG1 C 13 18.663 0.166 . . . . . A 124 VAL CG1 . 25567 1 1316 . 1 1 124 124 VAL CG2 C 13 19.276 0.166 . . . . . A 124 VAL CG2 . 25567 1 1317 . 1 1 124 124 VAL N N 15 117.530 0.121 . . . . . A 124 VAL N . 25567 1 1318 . 1 1 125 125 SER H H 1 7.622 0.007 . . . . . A 125 SER H . 25567 1 1319 . 1 1 125 125 SER HA H 1 4.035 0.007 . . . . . A 125 SER HA . 25567 1 1320 . 1 1 125 125 SER HB2 H 1 3.485 0.007 . . . . . A 125 SER HB2 . 25567 1 1321 . 1 1 125 125 SER HB3 H 1 3.522 0.007 . . . . . A 125 SER HB3 . 25567 1 1322 . 1 1 125 125 SER C C 13 174.636 0.166 . . . . . A 125 SER C . 25567 1 1323 . 1 1 125 125 SER CA C 13 58.885 0.166 . . . . . A 125 SER CA . 25567 1 1324 . 1 1 125 125 SER CB C 13 59.666 0.166 . . . . . A 125 SER CB . 25567 1 1325 . 1 1 125 125 SER N N 15 114.023 0.121 . . . . . A 125 SER N . 25567 1 1326 . 1 1 126 126 HIS H H 1 8.067 0.007 . . . . . A 126 HIS H . 25567 1 1327 . 1 1 126 126 HIS HA H 1 4.196 0.007 . . . . . A 126 HIS HA . 25567 1 1328 . 1 1 126 126 HIS HB2 H 1 2.366 0.007 . . . . . A 126 HIS HB2 . 25567 1 1329 . 1 1 126 126 HIS HB3 H 1 1.942 0.007 . . . . . A 126 HIS HB3 . 25567 1 1330 . 1 1 126 126 HIS HD2 H 1 6.961 0.007 . . . . . A 126 HIS HD2 . 25567 1 1331 . 1 1 126 126 HIS C C 13 172.942 0.166 . . . . . A 126 HIS C . 25567 1 1332 . 1 1 126 126 HIS CA C 13 54.918 0.166 . . . . . A 126 HIS CA . 25567 1 1333 . 1 1 126 126 HIS CB C 13 26.079 0.166 . . . . . A 126 HIS CB . 25567 1 1334 . 1 1 126 126 HIS CD2 C 13 114.637 0.166 . . . . . A 126 HIS CD2 . 25567 1 1335 . 1 1 126 126 HIS N N 15 119.457 0.121 . . . . . A 126 HIS N . 25567 1 1336 . 1 1 127 127 PHE H H 1 9.083 0.007 . . . . . A 127 PHE H . 25567 1 1337 . 1 1 127 127 PHE HA H 1 3.199 0.007 . . . . . A 127 PHE HA . 25567 1 1338 . 1 1 127 127 PHE HB2 H 1 2.241 0.007 . . . . . A 127 PHE HB2 . 25567 1 1339 . 1 1 127 127 PHE HB3 H 1 2.662 0.007 . . . . . A 127 PHE HB3 . 25567 1 1340 . 1 1 127 127 PHE HD1 H 1 6.765 0.007 . . . . . A 127 PHE QD . 25567 1 1341 . 1 1 127 127 PHE HD2 H 1 6.765 0.007 . . . . . A 127 PHE QD . 25567 1 1342 . 1 1 127 127 PHE HE1 H 1 6.767 0.007 . . . . . A 127 PHE QE . 25567 1 1343 . 1 1 127 127 PHE HE2 H 1 6.767 0.007 . . . . . A 127 PHE QE . 25567 1 1344 . 1 1 127 127 PHE C C 13 173.515 0.166 . . . . . A 127 PHE C . 25567 1 1345 . 1 1 127 127 PHE CA C 13 60.681 0.166 . . . . . A 127 PHE CA . 25567 1 1346 . 1 1 127 127 PHE CB C 13 36.367 0.166 . . . . . A 127 PHE CB . 25567 1 1347 . 1 1 127 127 PHE CD1 C 13 127.146 0.166 . . . . . A 127 PHE CD1 . 25567 1 1348 . 1 1 127 127 PHE CE1 C 13 123.907 0.166 . . . . . A 127 PHE CE1 . 25567 1 1349 . 1 1 127 127 PHE N N 15 120.628 0.121 . . . . . A 127 PHE N . 25567 1 1350 . 1 1 128 128 ASN H H 1 7.858 0.007 . . . . . A 128 ASN H . 25567 1 1351 . 1 1 128 128 ASN HA H 1 4.078 0.007 . . . . . A 128 ASN HA . 25567 1 1352 . 1 1 128 128 ASN HB2 H 1 2.830 0.007 . . . . . A 128 ASN HB2 . 25567 1 1353 . 1 1 128 128 ASN HB3 H 1 2.529 0.007 . . . . . A 128 ASN HB3 . 25567 1 1354 . 1 1 128 128 ASN HD21 H 1 6.663 0.007 . . . . . A 128 ASN HD21 . 25567 1 1355 . 1 1 128 128 ASN HD22 H 1 7.213 0.007 . . . . . A 128 ASN HD22 . 25567 1 1356 . 1 1 128 128 ASN C C 13 175.338 0.166 . . . . . A 128 ASN C . 25567 1 1357 . 1 1 128 128 ASN CA C 13 54.250 0.166 . . . . . A 128 ASN CA . 25567 1 1358 . 1 1 128 128 ASN CB C 13 36.021 0.166 . . . . . A 128 ASN CB . 25567 1 1359 . 1 1 128 128 ASN N N 15 114.858 0.121 . . . . . A 128 ASN N . 25567 1 1360 . 1 1 128 128 ASN ND2 N 15 110.122 0.121 . . . . . A 128 ASN ND2 . 25567 1 1361 . 1 1 129 129 GLU H H 1 7.569 0.007 . . . . . A 129 GLU H . 25567 1 1362 . 1 1 129 129 GLU HA H 1 4.041 0.007 . . . . . A 129 GLU HA . 25567 1 1363 . 1 1 129 129 GLU HB2 H 1 2.240 0.007 . . . . . A 129 GLU HB2 . 25567 1 1364 . 1 1 129 129 GLU HB3 H 1 2.100 0.007 . . . . . A 129 GLU HB3 . 25567 1 1365 . 1 1 129 129 GLU HG2 H 1 2.464 0.007 . . . . . A 129 GLU HG2 . 25567 1 1366 . 1 1 129 129 GLU HG3 H 1 2.213 0.007 . . . . . A 129 GLU HG3 . 25567 1 1367 . 1 1 129 129 GLU C C 13 176.941 0.166 . . . . . A 129 GLU C . 25567 1 1368 . 1 1 129 129 GLU CA C 13 56.632 0.166 . . . . . A 129 GLU CA . 25567 1 1369 . 1 1 129 129 GLU CB C 13 26.938 0.166 . . . . . A 129 GLU CB . 25567 1 1370 . 1 1 129 129 GLU CG C 13 33.521 0.166 . . . . . A 129 GLU CG . 25567 1 1371 . 1 1 129 129 GLU N N 15 119.811 0.121 . . . . . A 129 GLU N . 25567 1 1372 . 1 1 130 130 TRP H H 1 7.964 0.007 . . . . . A 130 TRP H . 25567 1 1373 . 1 1 130 130 TRP HA H 1 4.472 0.007 . . . . . A 130 TRP HA . 25567 1 1374 . 1 1 130 130 TRP HB2 H 1 2.773 0.007 . . . . . A 130 TRP HB2 . 25567 1 1375 . 1 1 130 130 TRP HB3 H 1 2.770 0.007 . . . . . A 130 TRP HB3 . 25567 1 1376 . 1 1 130 130 TRP HD1 H 1 6.906 0.007 . . . . . A 130 TRP HD1 . 25567 1 1377 . 1 1 130 130 TRP HE1 H 1 10.352 0.007 . . . . . A 130 TRP HE1 . 25567 1 1378 . 1 1 130 130 TRP HE3 H 1 7.425 0.007 . . . . . A 130 TRP HE3 . 25567 1 1379 . 1 1 130 130 TRP HZ2 H 1 7.303 0.007 . . . . . A 130 TRP HZ2 . 25567 1 1380 . 1 1 130 130 TRP HH2 H 1 6.989 0.007 . . . . . A 130 TRP HH2 . 25567 1 1381 . 1 1 130 130 TRP C C 13 174.262 0.166 . . . . . A 130 TRP C . 25567 1 1382 . 1 1 130 130 TRP CA C 13 54.673 0.166 . . . . . A 130 TRP CA . 25567 1 1383 . 1 1 130 130 TRP CB C 13 26.956 0.166 . . . . . A 130 TRP CB . 25567 1 1384 . 1 1 130 130 TRP CD1 C 13 119.111 0.166 . . . . . A 130 TRP CD1 . 25567 1 1385 . 1 1 130 130 TRP CE3 C 13 116.204 0.166 . . . . . A 130 TRP CE3 . 25567 1 1386 . 1 1 130 130 TRP CZ2 C 13 110.058 0.166 . . . . . A 130 TRP CZ2 . 25567 1 1387 . 1 1 130 130 TRP CH2 C 13 119.437 0.166 . . . . . A 130 TRP CH2 . 25567 1 1388 . 1 1 130 130 TRP N N 15 120.585 0.121 . . . . . A 130 TRP N . 25567 1 1389 . 1 1 130 130 TRP NE1 N 15 127.573 0.121 . . . . . A 130 TRP NE1 . 25567 1 1390 . 1 1 131 131 ALA H H 1 8.114 0.007 . . . . . A 131 ALA H . 25567 1 1391 . 1 1 131 131 ALA HA H 1 3.947 0.007 . . . . . A 131 ALA HA . 25567 1 1392 . 1 1 131 131 ALA HB1 H 1 0.833 0.007 . . . . . A 131 ALA QB . 25567 1 1393 . 1 1 131 131 ALA HB2 H 1 0.833 0.007 . . . . . A 131 ALA QB . 25567 1 1394 . 1 1 131 131 ALA HB3 H 1 0.833 0.007 . . . . . A 131 ALA QB . 25567 1 1395 . 1 1 131 131 ALA C C 13 172.489 0.166 . . . . . A 131 ALA C . 25567 1 1396 . 1 1 131 131 ALA CA C 13 48.580 0.166 . . . . . A 131 ALA CA . 25567 1 1397 . 1 1 131 131 ALA CB C 13 16.539 0.166 . . . . . A 131 ALA CB . 25567 1 1398 . 1 1 131 131 ALA N N 15 120.522 0.121 . . . . . A 131 ALA N . 25567 1 1399 . 1 1 132 132 ASP H H 1 6.768 0.007 . . . . . A 132 ASP H . 25567 1 1400 . 1 1 132 132 ASP HA H 1 4.206 0.007 . . . . . A 132 ASP HA . 25567 1 1401 . 1 1 132 132 ASP HB2 H 1 2.807 0.007 . . . . . A 132 ASP HB2 . 25567 1 1402 . 1 1 132 132 ASP HB3 H 1 2.522 0.007 . . . . . A 132 ASP HB3 . 25567 1 1403 . 1 1 132 132 ASP C C 13 173.779 0.166 . . . . . A 132 ASP C . 25567 1 1404 . 1 1 132 132 ASP CA C 13 54.313 0.166 . . . . . A 132 ASP CA . 25567 1 1405 . 1 1 132 132 ASP CB C 13 39.456 0.166 . . . . . A 132 ASP CB . 25567 1 1406 . 1 1 132 132 ASP N N 15 117.666 0.121 . . . . . A 132 ASP N . 25567 1 1407 . 1 1 133 133 GLY H H 1 8.645 0.007 . . . . . A 133 GLY H . 25567 1 1408 . 1 1 133 133 GLY HA2 H 1 4.355 0.007 . . . . . A 133 GLY HA2 . 25567 1 1409 . 1 1 133 133 GLY HA3 H 1 3.568 0.007 . . . . . A 133 GLY HA3 . 25567 1 1410 . 1 1 133 133 GLY C C 13 172.101 0.166 . . . . . A 133 GLY C . 25567 1 1411 . 1 1 133 133 GLY CA C 13 42.509 0.166 . . . . . A 133 GLY CA . 25567 1 1412 . 1 1 133 133 GLY N N 15 114.922 0.121 . . . . . A 133 GLY N . 25567 1 1413 . 1 1 134 134 LEU H H 1 8.049 0.007 . . . . . A 134 LEU H . 25567 1 1414 . 1 1 134 134 LEU HA H 1 4.462 0.007 . . . . . A 134 LEU HA . 25567 1 1415 . 1 1 134 134 LEU HB2 H 1 1.826 0.007 . . . . . A 134 LEU HB2 . 25567 1 1416 . 1 1 134 134 LEU HB3 H 1 1.197 0.007 . . . . . A 134 LEU HB3 . 25567 1 1417 . 1 1 134 134 LEU HG H 1 1.523 0.007 . . . . . A 134 LEU HG . 25567 1 1418 . 1 1 134 134 LEU HD11 H 1 0.725 0.007 . . . . . A 134 LEU QD1 . 25567 1 1419 . 1 1 134 134 LEU HD12 H 1 0.725 0.007 . . . . . A 134 LEU QD1 . 25567 1 1420 . 1 1 134 134 LEU HD13 H 1 0.725 0.007 . . . . . A 134 LEU QD1 . 25567 1 1421 . 1 1 134 134 LEU HD21 H 1 1.004 0.007 . . . . . A 134 LEU QD2 . 25567 1 1422 . 1 1 134 134 LEU HD22 H 1 1.004 0.007 . . . . . A 134 LEU QD2 . 25567 1 1423 . 1 1 134 134 LEU HD23 H 1 1.004 0.007 . . . . . A 134 LEU QD2 . 25567 1 1424 . 1 1 134 134 LEU C C 13 174.098 0.166 . . . . . A 134 LEU C . 25567 1 1425 . 1 1 134 134 LEU CA C 13 51.084 0.166 . . . . . A 134 LEU CA . 25567 1 1426 . 1 1 134 134 LEU CB C 13 40.509 0.166 . . . . . A 134 LEU CB . 25567 1 1427 . 1 1 134 134 LEU CG C 13 24.424 0.166 . . . . . A 134 LEU CG . 25567 1 1428 . 1 1 134 134 LEU CD1 C 13 24.046 0.166 . . . . . A 134 LEU CD1 . 25567 1 1429 . 1 1 134 134 LEU CD2 C 13 21.024 0.166 . . . . . A 134 LEU CD2 . 25567 1 1430 . 1 1 134 134 LEU N N 15 120.101 0.121 . . . . . A 134 LEU N . 25567 1 1431 . 1 1 135 135 ASN H H 1 8.567 0.007 . . . . . A 135 ASN H . 25567 1 1432 . 1 1 135 135 ASN HA H 1 4.639 0.007 . . . . . A 135 ASN HA . 25567 1 1433 . 1 1 135 135 ASN HB2 H 1 3.177 0.007 . . . . . A 135 ASN HB2 . 25567 1 1434 . 1 1 135 135 ASN HB3 H 1 2.553 0.007 . . . . . A 135 ASN HB3 . 25567 1 1435 . 1 1 135 135 ASN HD21 H 1 6.844 0.007 . . . . . A 135 ASN HD21 . 25567 1 1436 . 1 1 135 135 ASN HD22 H 1 7.365 0.007 . . . . . A 135 ASN HD22 . 25567 1 1437 . 1 1 135 135 ASN C C 13 170.564 0.166 . . . . . A 135 ASN C . 25567 1 1438 . 1 1 135 135 ASN CA C 13 49.253 0.166 . . . . . A 135 ASN CA . 25567 1 1439 . 1 1 135 135 ASN CB C 13 33.618 0.166 . . . . . A 135 ASN CB . 25567 1 1440 . 1 1 135 135 ASN N N 15 119.258 0.121 . . . . . A 135 ASN N . 25567 1 1441 . 1 1 135 135 ASN ND2 N 15 110.339 0.121 . . . . . A 135 ASN ND2 . 25567 1 1442 . 1 1 136 136 VAL H H 1 7.660 0.007 . . . . . A 136 VAL H . 25567 1 1443 . 1 1 136 136 VAL HA H 1 4.596 0.007 . . . . . A 136 VAL HA . 25567 1 1444 . 1 1 136 136 VAL HB H 1 2.069 0.007 . . . . . A 136 VAL HB . 25567 1 1445 . 1 1 136 136 VAL HG11 H 1 0.855 0.007 . . . . . A 136 VAL QG1 . 25567 1 1446 . 1 1 136 136 VAL HG12 H 1 0.855 0.007 . . . . . A 136 VAL QG1 . 25567 1 1447 . 1 1 136 136 VAL HG13 H 1 0.855 0.007 . . . . . A 136 VAL QG1 . 25567 1 1448 . 1 1 136 136 VAL HG21 H 1 0.799 0.007 . . . . . A 136 VAL QG2 . 25567 1 1449 . 1 1 136 136 VAL HG22 H 1 0.799 0.007 . . . . . A 136 VAL QG2 . 25567 1 1450 . 1 1 136 136 VAL HG23 H 1 0.799 0.007 . . . . . A 136 VAL QG2 . 25567 1 1451 . 1 1 136 136 VAL C C 13 175.318 0.166 . . . . . A 136 VAL C . 25567 1 1452 . 1 1 136 136 VAL CA C 13 58.722 0.166 . . . . . A 136 VAL CA . 25567 1 1453 . 1 1 136 136 VAL CB C 13 29.299 0.166 . . . . . A 136 VAL CB . 25567 1 1454 . 1 1 136 136 VAL CG1 C 13 19.141 0.166 . . . . . A 136 VAL CG1 . 25567 1 1455 . 1 1 136 136 VAL CG2 C 13 19.547 0.166 . . . . . A 136 VAL CG2 . 25567 1 1456 . 1 1 136 136 VAL N N 15 125.460 0.121 . . . . . A 136 VAL N . 25567 1 1457 . 1 1 137 137 ILE H H 1 9.151 0.007 . . . . . A 137 ILE H . 25567 1 1458 . 1 1 137 137 ILE HA H 1 4.428 0.007 . . . . . A 137 ILE HA . 25567 1 1459 . 1 1 137 137 ILE HB H 1 1.989 0.007 . . . . . A 137 ILE HB . 25567 1 1460 . 1 1 137 137 ILE HG12 H 1 0.668 0.007 . . . . . A 137 ILE QG1 . 25567 1 1461 . 1 1 137 137 ILE HG13 H 1 0.668 0.007 . . . . . A 137 ILE QG1 . 25567 1 1462 . 1 1 137 137 ILE HG21 H 1 0.815 0.007 . . . . . A 137 ILE QG2 . 25567 1 1463 . 1 1 137 137 ILE HG22 H 1 0.815 0.007 . . . . . A 137 ILE QG2 . 25567 1 1464 . 1 1 137 137 ILE HG23 H 1 0.815 0.007 . . . . . A 137 ILE QG2 . 25567 1 1465 . 1 1 137 137 ILE HD11 H 1 0.661 0.007 . . . . . A 137 ILE QD1 . 25567 1 1466 . 1 1 137 137 ILE HD12 H 1 0.661 0.007 . . . . . A 137 ILE QD1 . 25567 1 1467 . 1 1 137 137 ILE HD13 H 1 0.661 0.007 . . . . . A 137 ILE QD1 . 25567 1 1468 . 1 1 137 137 ILE C C 13 173.943 0.166 . . . . . A 137 ILE C . 25567 1 1469 . 1 1 137 137 ILE CA C 13 58.958 0.166 . . . . . A 137 ILE CA . 25567 1 1470 . 1 1 137 137 ILE CB C 13 36.169 0.166 . . . . . A 137 ILE CB . 25567 1 1471 . 1 1 137 137 ILE CG1 C 13 23.893 0.166 . . . . . A 137 ILE CG1 . 25567 1 1472 . 1 1 137 137 ILE CG2 C 13 15.604 0.166 . . . . . A 137 ILE CG2 . 25567 1 1473 . 1 1 137 137 ILE CD1 C 13 12.122 0.166 . . . . . A 137 ILE CD1 . 25567 1 1474 . 1 1 137 137 ILE N N 15 122.021 0.121 . . . . . A 137 ILE N . 25567 1 1475 . 1 1 138 138 GLY H H 1 6.675 0.007 . . . . . A 138 GLY H . 25567 1 1476 . 1 1 138 138 GLY HA2 H 1 4.292 0.007 . . . . . A 138 GLY HA2 . 25567 1 1477 . 1 1 138 138 GLY HA3 H 1 4.089 0.007 . . . . . A 138 GLY HA3 . 25567 1 1478 . 1 1 138 138 GLY CA C 13 43.494 0.166 . . . . . A 138 GLY CA . 25567 1 1479 . 1 1 138 138 GLY N N 15 108.192 0.121 . . . . . A 138 GLY N . 25567 1 1480 . 1 1 139 139 VAL H H 1 8.158 0.007 . . . . . A 139 VAL H . 25567 1 1481 . 1 1 139 139 VAL HA H 1 5.320 0.007 . . . . . A 139 VAL HA . 25567 1 1482 . 1 1 139 139 VAL HB H 1 2.102 0.007 . . . . . A 139 VAL HB . 25567 1 1483 . 1 1 139 139 VAL HG11 H 1 1.043 0.007 . . . . . A 139 VAL QG1 . 25567 1 1484 . 1 1 139 139 VAL HG12 H 1 1.043 0.007 . . . . . A 139 VAL QG1 . 25567 1 1485 . 1 1 139 139 VAL HG13 H 1 1.043 0.007 . . . . . A 139 VAL QG1 . 25567 1 1486 . 1 1 139 139 VAL HG21 H 1 0.812 0.007 . . . . . A 139 VAL QG2 . 25567 1 1487 . 1 1 139 139 VAL HG22 H 1 0.812 0.007 . . . . . A 139 VAL QG2 . 25567 1 1488 . 1 1 139 139 VAL HG23 H 1 0.812 0.007 . . . . . A 139 VAL QG2 . 25567 1 1489 . 1 1 139 139 VAL C C 13 172.291 0.166 . . . . . A 139 VAL C . 25567 1 1490 . 1 1 139 139 VAL CA C 13 58.209 0.166 . . . . . A 139 VAL CA . 25567 1 1491 . 1 1 139 139 VAL CB C 13 32.639 0.166 . . . . . A 139 VAL CB . 25567 1 1492 . 1 1 139 139 VAL CG1 C 13 21.097 0.166 . . . . . A 139 VAL CG1 . 25567 1 1493 . 1 1 139 139 VAL CG2 C 13 19.911 0.166 . . . . . A 139 VAL CG2 . 25567 1 1494 . 1 1 139 139 VAL N N 15 119.673 0.121 . . . . . A 139 VAL N . 25567 1 1495 . 1 1 140 140 ALA H H 1 9.145 0.007 . . . . . A 140 ALA H . 25567 1 1496 . 1 1 140 140 ALA HA H 1 4.596 0.007 . . . . . A 140 ALA HA . 25567 1 1497 . 1 1 140 140 ALA HB1 H 1 1.258 0.007 . . . . . A 140 ALA QB . 25567 1 1498 . 1 1 140 140 ALA HB2 H 1 1.258 0.007 . . . . . A 140 ALA QB . 25567 1 1499 . 1 1 140 140 ALA HB3 H 1 1.258 0.007 . . . . . A 140 ALA QB . 25567 1 1500 . 1 1 140 140 ALA C C 13 171.057 0.166 . . . . . A 140 ALA C . 25567 1 1501 . 1 1 140 140 ALA CA C 13 48.883 0.166 . . . . . A 140 ALA CA . 25567 1 1502 . 1 1 140 140 ALA CB C 13 21.428 0.166 . . . . . A 140 ALA CB . 25567 1 1503 . 1 1 140 140 ALA N N 15 127.104 0.121 . . . . . A 140 ALA N . 25567 1 1504 . 1 1 141 141 ARG H H 1 7.759 0.007 . . . . . A 141 ARG H . 25567 1 1505 . 1 1 141 141 ARG HA H 1 2.740 0.007 . . . . . A 141 ARG HA . 25567 1 1506 . 1 1 141 141 ARG HB2 H 1 1.093 0.007 . . . . . A 141 ARG HB2 . 25567 1 1507 . 1 1 141 141 ARG HB3 H 1 1.289 0.007 . . . . . A 141 ARG HB3 . 25567 1 1508 . 1 1 141 141 ARG HG2 H 1 1.090 0.007 . . . . . A 141 ARG HG2 . 25567 1 1509 . 1 1 141 141 ARG HG3 H 1 1.282 0.007 . . . . . A 141 ARG HG3 . 25567 1 1510 . 1 1 141 141 ARG HD2 H 1 2.979 0.007 . . . . . A 141 ARG QD . 25567 1 1511 . 1 1 141 141 ARG HD3 H 1 2.979 0.007 . . . . . A 141 ARG QD . 25567 1 1512 . 1 1 141 141 ARG C C 13 173.524 0.166 . . . . . A 141 ARG C . 25567 1 1513 . 1 1 141 141 ARG CA C 13 51.886 0.166 . . . . . A 141 ARG CA . 25567 1 1514 . 1 1 141 141 ARG CB C 13 28.454 0.166 . . . . . A 141 ARG CB . 25567 1 1515 . 1 1 141 141 ARG CG C 13 23.955 0.166 . . . . . A 141 ARG CG . 25567 1 1516 . 1 1 141 141 ARG CD C 13 41.088 0.166 . . . . . A 141 ARG CD . 25567 1 1517 . 1 1 141 141 ARG N N 15 118.828 0.121 . . . . . A 141 ARG N . 25567 1 1518 . 1 1 142 142 ASP H H 1 9.087 0.007 . . . . . A 142 ASP H . 25567 1 1519 . 1 1 142 142 ASP HA H 1 3.779 0.007 . . . . . A 142 ASP HA . 25567 1 1520 . 1 1 142 142 ASP HB2 H 1 2.666 0.007 . . . . . A 142 ASP QB . 25567 1 1521 . 1 1 142 142 ASP HB3 H 1 2.666 0.007 . . . . . A 142 ASP QB . 25567 1 1522 . 1 1 142 142 ASP C C 13 169.292 0.166 . . . . . A 142 ASP C . 25567 1 1523 . 1 1 142 142 ASP CA C 13 53.622 0.166 . . . . . A 142 ASP CA . 25567 1 1524 . 1 1 142 142 ASP CB C 13 37.080 0.166 . . . . . A 142 ASP CB . 25567 1 1525 . 1 1 142 142 ASP N N 15 125.557 0.121 . . . . . A 142 ASP N . 25567 1 1526 . 1 1 143 143 ASP H H 1 8.175 0.007 . . . . . A 143 ASP H . 25567 1 1527 . 1 1 143 143 ASP HA H 1 4.254 0.007 . . . . . A 143 ASP HA . 25567 1 1528 . 1 1 143 143 ASP HB2 H 1 3.049 0.007 . . . . . A 143 ASP HB2 . 25567 1 1529 . 1 1 143 143 ASP HB3 H 1 1.969 0.007 . . . . . A 143 ASP HB3 . 25567 1 1530 . 1 1 143 143 ASP C C 13 175.557 0.166 . . . . . A 143 ASP C . 25567 1 1531 . 1 1 143 143 ASP CA C 13 49.079 0.166 . . . . . A 143 ASP CA . 25567 1 1532 . 1 1 143 143 ASP CB C 13 36.442 0.166 . . . . . A 143 ASP CB . 25567 1 1533 . 1 1 143 143 ASP N N 15 119.094 0.121 . . . . . A 143 ASP N . 25567 1 1534 . 1 1 144 144 SER H H 1 7.742 0.007 . . . . . A 144 SER H . 25567 1 1535 . 1 1 144 144 SER HA H 1 3.745 0.007 . . . . . A 144 SER HA . 25567 1 1536 . 1 1 144 144 SER HB2 H 1 3.905 0.007 . . . . . A 144 SER HB2 . 25567 1 1537 . 1 1 144 144 SER HB3 H 1 3.720 0.007 . . . . . A 144 SER HB3 . 25567 1 1538 . 1 1 144 144 SER C C 13 172.820 0.166 . . . . . A 144 SER C . 25567 1 1539 . 1 1 144 144 SER CA C 13 59.336 0.166 . . . . . A 144 SER CA . 25567 1 1540 . 1 1 144 144 SER CB C 13 60.839 0.166 . . . . . A 144 SER CB . 25567 1 1541 . 1 1 144 144 SER N N 15 115.438 0.121 . . . . . A 144 SER N . 25567 1 1542 . 1 1 145 145 GLU H H 1 7.924 0.007 . . . . . A 145 GLU H . 25567 1 1543 . 1 1 145 145 GLU HA H 1 4.319 0.007 . . . . . A 145 GLU HA . 25567 1 1544 . 1 1 145 145 GLU HB2 H 1 1.368 0.007 . . . . . A 145 GLU HB2 . 25567 1 1545 . 1 1 145 145 GLU HB3 H 1 0.151 0.007 . . . . . A 145 GLU HB3 . 25567 1 1546 . 1 1 145 145 GLU HG2 H 1 1.761 0.007 . . . . . A 145 GLU HG2 . 25567 1 1547 . 1 1 145 145 GLU HG3 H 1 1.858 0.007 . . . . . A 145 GLU HG3 . 25567 1 1548 . 1 1 145 145 GLU C C 13 171.927 0.166 . . . . . A 145 GLU C . 25567 1 1549 . 1 1 145 145 GLU CA C 13 52.084 0.166 . . . . . A 145 GLU CA . 25567 1 1550 . 1 1 145 145 GLU CB C 13 26.774 0.166 . . . . . A 145 GLU CB . 25567 1 1551 . 1 1 145 145 GLU CG C 13 34.134 0.166 . . . . . A 145 GLU CG . 25567 1 1552 . 1 1 145 145 GLU N N 15 119.631 0.121 . . . . . A 145 GLU N . 25567 1 1553 . 1 1 146 146 VAL H H 1 6.393 0.007 . . . . . A 146 VAL H . 25567 1 1554 . 1 1 146 146 VAL HA H 1 2.956 0.007 . . . . . A 146 VAL HA . 25567 1 1555 . 1 1 146 146 VAL HB H 1 1.701 0.007 . . . . . A 146 VAL HB . 25567 1 1556 . 1 1 146 146 VAL HG11 H 1 0.744 0.007 . . . . . A 146 VAL QG1 . 25567 1 1557 . 1 1 146 146 VAL HG12 H 1 0.744 0.007 . . . . . A 146 VAL QG1 . 25567 1 1558 . 1 1 146 146 VAL HG13 H 1 0.744 0.007 . . . . . A 146 VAL QG1 . 25567 1 1559 . 1 1 146 146 VAL HG21 H 1 0.751 0.007 . . . . . A 146 VAL QG2 . 25567 1 1560 . 1 1 146 146 VAL HG22 H 1 0.751 0.007 . . . . . A 146 VAL QG2 . 25567 1 1561 . 1 1 146 146 VAL HG23 H 1 0.751 0.007 . . . . . A 146 VAL QG2 . 25567 1 1562 . 1 1 146 146 VAL C C 13 174.582 0.166 . . . . . A 146 VAL C . 25567 1 1563 . 1 1 146 146 VAL CA C 13 64.078 0.166 . . . . . A 146 VAL CA . 25567 1 1564 . 1 1 146 146 VAL CB C 13 29.140 0.166 . . . . . A 146 VAL CB . 25567 1 1565 . 1 1 146 146 VAL CG1 C 13 18.760 0.166 . . . . . A 146 VAL CG1 . 25567 1 1566 . 1 1 146 146 VAL CG2 C 13 21.156 0.166 . . . . . A 146 VAL CG2 . 25567 1 1567 . 1 1 146 146 VAL N N 15 118.791 0.121 . . . . . A 146 VAL N . 25567 1 1568 . 1 1 147 147 ASP H H 1 8.393 0.007 . . . . . A 147 ASP H . 25567 1 1569 . 1 1 147 147 ASP HA H 1 4.070 0.007 . . . . . A 147 ASP HA . 25567 1 1570 . 1 1 147 147 ASP HB2 H 1 2.418 0.007 . . . . . A 147 ASP QB . 25567 1 1571 . 1 1 147 147 ASP HB3 H 1 2.418 0.007 . . . . . A 147 ASP QB . 25567 1 1572 . 1 1 147 147 ASP C C 13 174.774 0.166 . . . . . A 147 ASP C . 25567 1 1573 . 1 1 147 147 ASP CA C 13 54.322 0.166 . . . . . A 147 ASP CA . 25567 1 1574 . 1 1 147 147 ASP CB C 13 37.204 0.166 . . . . . A 147 ASP CB . 25567 1 1575 . 1 1 147 147 ASP N N 15 119.410 0.121 . . . . . A 147 ASP N . 25567 1 1576 . 1 1 148 148 LYS H H 1 7.078 0.007 . . . . . A 148 LYS H . 25567 1 1577 . 1 1 148 148 LYS HA H 1 3.951 0.007 . . . . . A 148 LYS HA . 25567 1 1578 . 1 1 148 148 LYS HB2 H 1 1.709 0.007 . . . . . A 148 LYS QB . 25567 1 1579 . 1 1 148 148 LYS HB3 H 1 1.709 0.007 . . . . . A 148 LYS QB . 25567 1 1580 . 1 1 148 148 LYS HG2 H 1 1.374 0.007 . . . . . A 148 LYS HG2 . 25567 1 1581 . 1 1 148 148 LYS HG3 H 1 1.295 0.007 . . . . . A 148 LYS HG3 . 25567 1 1582 . 1 1 148 148 LYS HD2 H 1 1.581 0.007 . . . . . A 148 LYS QD . 25567 1 1583 . 1 1 148 148 LYS HD3 H 1 1.581 0.007 . . . . . A 148 LYS QD . 25567 1 1584 . 1 1 148 148 LYS HE2 H 1 2.935 0.007 . . . . . A 148 LYS QE . 25567 1 1585 . 1 1 148 148 LYS HE3 H 1 2.935 0.007 . . . . . A 148 LYS QE . 25567 1 1586 . 1 1 148 148 LYS C C 13 176.410 0.166 . . . . . A 148 LYS C . 25567 1 1587 . 1 1 148 148 LYS CA C 13 55.736 0.166 . . . . . A 148 LYS CA . 25567 1 1588 . 1 1 148 148 LYS CB C 13 29.576 0.166 . . . . . A 148 LYS CB . 25567 1 1589 . 1 1 148 148 LYS CG C 13 22.195 0.166 . . . . . A 148 LYS CG . 25567 1 1590 . 1 1 148 148 LYS CD C 13 26.559 0.166 . . . . . A 148 LYS CD . 25567 1 1591 . 1 1 148 148 LYS CE C 13 39.521 0.166 . . . . . A 148 LYS CE . 25567 1 1592 . 1 1 148 148 LYS N N 15 119.422 0.121 . . . . . A 148 LYS N . 25567 1 1593 . 1 1 149 149 TRP H H 1 7.914 0.007 . . . . . A 149 TRP H . 25567 1 1594 . 1 1 149 149 TRP HA H 1 4.601 0.007 . . . . . A 149 TRP HA . 25567 1 1595 . 1 1 149 149 TRP HB2 H 1 2.923 0.007 . . . . . A 149 TRP HB2 . 25567 1 1596 . 1 1 149 149 TRP HB3 H 1 3.105 0.007 . . . . . A 149 TRP HB3 . 25567 1 1597 . 1 1 149 149 TRP HD1 H 1 6.880 0.007 . . . . . A 149 TRP HD1 . 25567 1 1598 . 1 1 149 149 TRP HE1 H 1 10.386 0.007 . . . . . A 149 TRP HE1 . 25567 1 1599 . 1 1 149 149 TRP HE3 H 1 7.049 0.007 . . . . . A 149 TRP HE3 . 25567 1 1600 . 1 1 149 149 TRP HZ2 H 1 6.958 0.007 . . . . . A 149 TRP HZ2 . 25567 1 1601 . 1 1 149 149 TRP HZ3 H 1 6.584 0.007 . . . . . A 149 TRP HZ3 . 25567 1 1602 . 1 1 149 149 TRP HH2 H 1 6.987 0.007 . . . . . A 149 TRP HH2 . 25567 1 1603 . 1 1 149 149 TRP C C 13 174.199 0.166 . . . . . A 149 TRP C . 25567 1 1604 . 1 1 149 149 TRP CA C 13 53.795 0.166 . . . . . A 149 TRP CA . 25567 1 1605 . 1 1 149 149 TRP CB C 13 27.011 0.166 . . . . . A 149 TRP CB . 25567 1 1606 . 1 1 149 149 TRP CD1 C 13 120.628 0.166 . . . . . A 149 TRP CD1 . 25567 1 1607 . 1 1 149 149 TRP CE3 C 13 115.761 0.166 . . . . . A 149 TRP CE3 . 25567 1 1608 . 1 1 149 149 TRP CZ2 C 13 110.264 0.166 . . . . . A 149 TRP CZ2 . 25567 1 1609 . 1 1 149 149 TRP CZ3 C 13 113.344 0.166 . . . . . A 149 TRP CZ3 . 25567 1 1610 . 1 1 149 149 TRP CH2 C 13 118.733 0.166 . . . . . A 149 TRP CH2 . 25567 1 1611 . 1 1 149 149 TRP N N 15 118.168 0.121 . . . . . A 149 TRP N . 25567 1 1612 . 1 1 149 149 TRP NE1 N 15 129.143 0.121 . . . . . A 149 TRP NE1 . 25567 1 1613 . 1 1 150 150 SER H H 1 7.814 0.007 . . . . . A 150 SER H . 25567 1 1614 . 1 1 150 150 SER HA H 1 4.242 0.007 . . . . . A 150 SER HA . 25567 1 1615 . 1 1 150 150 SER HB2 H 1 3.694 0.007 . . . . . A 150 SER HB2 . 25567 1 1616 . 1 1 150 150 SER HB3 H 1 4.008 0.007 . . . . . A 150 SER HB3 . 25567 1 1617 . 1 1 150 150 SER C C 13 170.173 0.166 . . . . . A 150 SER C . 25567 1 1618 . 1 1 150 150 SER CA C 13 56.912 0.166 . . . . . A 150 SER CA . 25567 1 1619 . 1 1 150 150 SER CB C 13 62.087 0.166 . . . . . A 150 SER CB . 25567 1 1620 . 1 1 150 150 SER N N 15 109.636 0.121 . . . . . A 150 SER N . 25567 1 1621 . 1 1 151 151 LYS H H 1 7.224 0.007 . . . . . A 151 LYS H . 25567 1 1622 . 1 1 151 151 LYS HA H 1 4.177 0.007 . . . . . A 151 LYS HA . 25567 1 1623 . 1 1 151 151 LYS HB2 H 1 1.791 0.007 . . . . . A 151 LYS HB2 . 25567 1 1624 . 1 1 151 151 LYS HB3 H 1 1.742 0.007 . . . . . A 151 LYS HB3 . 25567 1 1625 . 1 1 151 151 LYS HG2 H 1 1.397 0.007 . . . . . A 151 LYS QG . 25567 1 1626 . 1 1 151 151 LYS HG3 H 1 1.397 0.007 . . . . . A 151 LYS QG . 25567 1 1627 . 1 1 151 151 LYS HD2 H 1 1.604 0.007 . . . . . A 151 LYS QD . 25567 1 1628 . 1 1 151 151 LYS HD3 H 1 1.604 0.007 . . . . . A 151 LYS QD . 25567 1 1629 . 1 1 151 151 LYS HE2 H 1 2.902 0.007 . . . . . A 151 LYS QE . 25567 1 1630 . 1 1 151 151 LYS HE3 H 1 2.902 0.007 . . . . . A 151 LYS QE . 25567 1 1631 . 1 1 151 151 LYS CA C 13 55.377 0.166 . . . . . A 151 LYS CA . 25567 1 1632 . 1 1 151 151 LYS CB C 13 31.361 0.166 . . . . . A 151 LYS CB . 25567 1 1633 . 1 1 151 151 LYS CG C 13 22.234 0.166 . . . . . A 151 LYS CG . 25567 1 1634 . 1 1 151 151 LYS CD C 13 26.688 0.166 . . . . . A 151 LYS CD . 25567 1 1635 . 1 1 151 151 LYS CE C 13 39.744 0.166 . . . . . A 151 LYS CE . 25567 1 1636 . 1 1 151 151 LYS N N 15 127.346 0.121 . . . . . A 151 LYS N . 25567 1 stop_ save_