data_15412 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15412 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Snu13p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-31 _Entry.Accession_date 2007-07-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hillary Workman . . . 15412 2 Jack Skalicky . J. . 15412 3 Peter Flynn . F. . 15412 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15412 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 15412 '15N chemical shifts' 130 15412 '1H chemical shifts' 900 15412 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 3 . . 2009-08-31 2007-07-31 update BMRB 'add PubMed ID' 15412 2 . . 2008-06-04 2007-07-31 update BMRB 'complete entry citation' 15412 1 . . 2007-12-10 2007-07-31 original author 'original release' 15412 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15412 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636910 _Citation.Full_citation . _Citation.Title 'Assignment of 1H, 13C, and 15N resonances of the RNA binding protein Snu13p from Saccharomyces cerevisiae' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _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 1 _Citation.Page_last 3 _Citation.Year 2008 _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 Hillary Workman . . . 15412 1 2 Jack Skalicky . J. . 15412 1 3 Peter Flynn . F. . 15412 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15412 _Assembly.ID 1 _Assembly.Name Snu13p _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 Snu13p 1 $Snu13p A . yes native no no . . . 15412 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Snu13p _Entity.Sf_category entity _Entity.Sf_framecode Snu13p _Entity.Entry_ID 15412 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Snu13p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASSAPNPKAFPLADAALTQ QILDVVQQAANLRQLKKGAN EATKTLNRGISEFIIMAADC EPIEILLHLPLLCEDKNVPY VFVPSRVALGRACGVSRPVI AASITTNDASAIKTQIYAVK DKIETLLILEHHHHHH ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ZWZ . "Structural Comparison Of Yeast Snornp And Splicesomal Protein Snu13p With Its Homologs" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 2 no PDB 2ALE . "Crystal Structure Of Yeast Rna Splicing Factor Snu13p" . . . . . 97.79 134 100.00 100.00 7.03e-91 . . . . 15412 1 3 no PDB 4NUT . "Crystal Structure Of The Complex Between Snu13p And The Pep Domain Of Rsa1" . . . . . 91.91 129 100.00 100.00 3.42e-83 . . . . 15412 1 4 no DBJ GAA22798 . "K7_Snu13p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 5 no EMBL CAY79137 . "Snu13p [Saccharomyces cerevisiae EC1118]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 6 no EMBL CCC67393 . "hypothetical protein NCAS_0A08350 [Naumovozyma castellii CBS 4309]" . . . . . 91.91 126 99.20 99.20 9.34e-83 . . . . 15412 1 7 no EMBL CCF58728 . "hypothetical protein KAFR_0F01320 [Kazachstania africana CBS 2517]" . . . . . 91.91 126 97.60 97.60 1.48e-81 . . . . 15412 1 8 no EMBL CCK73464 . "hypothetical protein NDAI_0G04810 [Naumovozyma dairenensis CBS 421]" . . . . . 91.91 126 98.40 98.40 1.06e-81 . . . . 15412 1 9 no GB AAB64503 . "Yel026wp [Saccharomyces cerevisiae]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 10 no GB AAS56703 . "YEL026W [Saccharomyces cerevisiae]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 11 no GB AHY75526 . "Snu13p [Saccharomyces cerevisiae YJM993]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 12 no GB AJP38240 . "Snu13p [Saccharomyces cerevisiae YJM1078]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 13 no GB AJU39930 . "Snu13p [Saccharomyces cerevisiae YJM693]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 14 no REF NP_010888 . "RNA binding protein SNU13 [Saccharomyces cerevisiae S288c]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 15 no REF XP_003673774 . "hypothetical protein NCAS_0A08350 [Naumovozyma castellii CBS 4309]" . . . . . 91.91 126 99.20 99.20 9.34e-83 . . . . 15412 1 16 no REF XP_003957863 . "hypothetical protein KAFR_0F01320 [Kazachstania africana CBS 2517]" . . . . . 91.91 126 97.60 97.60 1.48e-81 . . . . 15412 1 17 no REF XP_003980140 . "hypothetical protein NDAI_0G04810 [Naumovozyma dairenensis CBS 421]" . . . . . 91.91 126 98.40 98.40 1.06e-81 . . . . 15412 1 18 no SP P39990 . "RecName: Full=13 kDa ribonucleoprotein-associated protein; AltName: Full=Small nuclear ribonucleoprotein-associated protein 1" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 1 19 no TPG DAA07626 . "TPA: RNA binding protein SNU13 [Saccharomyces cerevisiae S288c]" . . . . . 91.91 126 100.00 100.00 1.31e-83 . . . . 15412 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 . MET . 15412 1 2 . ALA . 15412 1 3 . SER . 15412 1 4 . SER . 15412 1 5 . ALA . 15412 1 6 . PRO . 15412 1 7 . ASN . 15412 1 8 . PRO . 15412 1 9 . LYS . 15412 1 10 . ALA . 15412 1 11 . PHE . 15412 1 12 . PRO . 15412 1 13 . LEU . 15412 1 14 . ALA . 15412 1 15 . ASP . 15412 1 16 . ALA . 15412 1 17 . ALA . 15412 1 18 . LEU . 15412 1 19 . THR . 15412 1 20 . GLN . 15412 1 21 . GLN . 15412 1 22 . ILE . 15412 1 23 . LEU . 15412 1 24 . ASP . 15412 1 25 . VAL . 15412 1 26 . VAL . 15412 1 27 . GLN . 15412 1 28 . GLN . 15412 1 29 . ALA . 15412 1 30 . ALA . 15412 1 31 . ASN . 15412 1 32 . LEU . 15412 1 33 . ARG . 15412 1 34 . GLN . 15412 1 35 . LEU . 15412 1 36 . LYS . 15412 1 37 . LYS . 15412 1 38 . GLY . 15412 1 39 . ALA . 15412 1 40 . ASN . 15412 1 41 . GLU . 15412 1 42 . ALA . 15412 1 43 . THR . 15412 1 44 . LYS . 15412 1 45 . THR . 15412 1 46 . LEU . 15412 1 47 . ASN . 15412 1 48 . ARG . 15412 1 49 . GLY . 15412 1 50 . ILE . 15412 1 51 . SER . 15412 1 52 . GLU . 15412 1 53 . PHE . 15412 1 54 . ILE . 15412 1 55 . ILE . 15412 1 56 . MET . 15412 1 57 . ALA . 15412 1 58 . ALA . 15412 1 59 . ASP . 15412 1 60 . CYS . 15412 1 61 . GLU . 15412 1 62 . PRO . 15412 1 63 . ILE . 15412 1 64 . GLU . 15412 1 65 . ILE . 15412 1 66 . LEU . 15412 1 67 . LEU . 15412 1 68 . HIS . 15412 1 69 . LEU . 15412 1 70 . PRO . 15412 1 71 . LEU . 15412 1 72 . LEU . 15412 1 73 . CYS . 15412 1 74 . GLU . 15412 1 75 . ASP . 15412 1 76 . LYS . 15412 1 77 . ASN . 15412 1 78 . VAL . 15412 1 79 . PRO . 15412 1 80 . TYR . 15412 1 81 . VAL . 15412 1 82 . PHE . 15412 1 83 . VAL . 15412 1 84 . PRO . 15412 1 85 . SER . 15412 1 86 . ARG . 15412 1 87 . VAL . 15412 1 88 . ALA . 15412 1 89 . LEU . 15412 1 90 . GLY . 15412 1 91 . ARG . 15412 1 92 . ALA . 15412 1 93 . CYS . 15412 1 94 . GLY . 15412 1 95 . VAL . 15412 1 96 . SER . 15412 1 97 . ARG . 15412 1 98 . PRO . 15412 1 99 . VAL . 15412 1 100 . ILE . 15412 1 101 . ALA . 15412 1 102 . ALA . 15412 1 103 . SER . 15412 1 104 . ILE . 15412 1 105 . THR . 15412 1 106 . THR . 15412 1 107 . ASN . 15412 1 108 . ASP . 15412 1 109 . ALA . 15412 1 110 . SER . 15412 1 111 . ALA . 15412 1 112 . ILE . 15412 1 113 . LYS . 15412 1 114 . THR . 15412 1 115 . GLN . 15412 1 116 . ILE . 15412 1 117 . TYR . 15412 1 118 . ALA . 15412 1 119 . VAL . 15412 1 120 . LYS . 15412 1 121 . ASP . 15412 1 122 . LYS . 15412 1 123 . ILE . 15412 1 124 . GLU . 15412 1 125 . THR . 15412 1 126 . LEU . 15412 1 127 . LEU . 15412 1 128 . ILE . 15412 1 129 . LEU . 15412 1 130 . GLU . 15412 1 131 . HIS . 15412 1 132 . HIS . 15412 1 133 . HIS . 15412 1 134 . HIS . 15412 1 135 . HIS . 15412 1 136 . HIS . 15412 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15412 1 . ALA 2 2 15412 1 . SER 3 3 15412 1 . SER 4 4 15412 1 . ALA 5 5 15412 1 . PRO 6 6 15412 1 . ASN 7 7 15412 1 . PRO 8 8 15412 1 . LYS 9 9 15412 1 . ALA 10 10 15412 1 . PHE 11 11 15412 1 . PRO 12 12 15412 1 . LEU 13 13 15412 1 . ALA 14 14 15412 1 . ASP 15 15 15412 1 . ALA 16 16 15412 1 . ALA 17 17 15412 1 . LEU 18 18 15412 1 . THR 19 19 15412 1 . GLN 20 20 15412 1 . GLN 21 21 15412 1 . ILE 22 22 15412 1 . LEU 23 23 15412 1 . ASP 24 24 15412 1 . VAL 25 25 15412 1 . VAL 26 26 15412 1 . GLN 27 27 15412 1 . GLN 28 28 15412 1 . ALA 29 29 15412 1 . ALA 30 30 15412 1 . ASN 31 31 15412 1 . LEU 32 32 15412 1 . ARG 33 33 15412 1 . GLN 34 34 15412 1 . LEU 35 35 15412 1 . LYS 36 36 15412 1 . LYS 37 37 15412 1 . GLY 38 38 15412 1 . ALA 39 39 15412 1 . ASN 40 40 15412 1 . GLU 41 41 15412 1 . ALA 42 42 15412 1 . THR 43 43 15412 1 . LYS 44 44 15412 1 . THR 45 45 15412 1 . LEU 46 46 15412 1 . ASN 47 47 15412 1 . ARG 48 48 15412 1 . GLY 49 49 15412 1 . ILE 50 50 15412 1 . SER 51 51 15412 1 . GLU 52 52 15412 1 . PHE 53 53 15412 1 . ILE 54 54 15412 1 . ILE 55 55 15412 1 . MET 56 56 15412 1 . ALA 57 57 15412 1 . ALA 58 58 15412 1 . ASP 59 59 15412 1 . CYS 60 60 15412 1 . GLU 61 61 15412 1 . PRO 62 62 15412 1 . ILE 63 63 15412 1 . GLU 64 64 15412 1 . ILE 65 65 15412 1 . LEU 66 66 15412 1 . LEU 67 67 15412 1 . HIS 68 68 15412 1 . LEU 69 69 15412 1 . PRO 70 70 15412 1 . LEU 71 71 15412 1 . LEU 72 72 15412 1 . CYS 73 73 15412 1 . GLU 74 74 15412 1 . ASP 75 75 15412 1 . LYS 76 76 15412 1 . ASN 77 77 15412 1 . VAL 78 78 15412 1 . PRO 79 79 15412 1 . TYR 80 80 15412 1 . VAL 81 81 15412 1 . PHE 82 82 15412 1 . VAL 83 83 15412 1 . PRO 84 84 15412 1 . SER 85 85 15412 1 . ARG 86 86 15412 1 . VAL 87 87 15412 1 . ALA 88 88 15412 1 . LEU 89 89 15412 1 . GLY 90 90 15412 1 . ARG 91 91 15412 1 . ALA 92 92 15412 1 . CYS 93 93 15412 1 . GLY 94 94 15412 1 . VAL 95 95 15412 1 . SER 96 96 15412 1 . ARG 97 97 15412 1 . PRO 98 98 15412 1 . VAL 99 99 15412 1 . ILE 100 100 15412 1 . ALA 101 101 15412 1 . ALA 102 102 15412 1 . SER 103 103 15412 1 . ILE 104 104 15412 1 . THR 105 105 15412 1 . THR 106 106 15412 1 . ASN 107 107 15412 1 . ASP 108 108 15412 1 . ALA 109 109 15412 1 . SER 110 110 15412 1 . ALA 111 111 15412 1 . ILE 112 112 15412 1 . LYS 113 113 15412 1 . THR 114 114 15412 1 . GLN 115 115 15412 1 . ILE 116 116 15412 1 . TYR 117 117 15412 1 . ALA 118 118 15412 1 . VAL 119 119 15412 1 . LYS 120 120 15412 1 . ASP 121 121 15412 1 . LYS 122 122 15412 1 . ILE 123 123 15412 1 . GLU 124 124 15412 1 . THR 125 125 15412 1 . LEU 126 126 15412 1 . LEU 127 127 15412 1 . ILE 128 128 15412 1 . LEU 129 129 15412 1 . GLU 130 130 15412 1 . HIS 131 131 15412 1 . HIS 132 132 15412 1 . HIS 133 133 15412 1 . HIS 134 134 15412 1 . HIS 135 135 15412 1 . HIS 136 136 15412 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 15412 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Snu13p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 15412 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 15412 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Snu13p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21d . . . . . . 15412 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15412 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Snu13p '[U-100% 13C; U-100% 15N]' . . 1 $Snu13p . . 1 . . mM . . . . 15412 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 15412 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15412 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15412 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 15412 _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' 100 . mM 15412 1 pH 5.5 . pH 15412 1 pressure 1 . atm 15412 1 temperature 293 . K 15412 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15412 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15412 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15412 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15412 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15412 _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 Varian INOVA . 600 . . . 15412 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 15412 _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 . . . . . . . . . . . . . . . . 15412 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 1 10 '3D 13C-15N HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15412 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 15412 _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 external indirect 0.25144952 . . . 1 $entry_citation . . 1 $entry_citation 15412 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 15412 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132905 . . . 1 $entry_citation . . 1 $entry_citation 15412 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 15412 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15412 1 2 '2D 1H-13C HSQC' . . . 15412 1 3 '3D CBCA(CO)NH' . . . 15412 1 4 '3D HNCACB' . . . 15412 1 5 '3D C(CO)NH' . . . 15412 1 6 '3D HBHA(CO)NH' . . . 15412 1 7 '3D HCCH-TOCSY' . . . 15412 1 8 '3D HCCH-COSY' . . . 15412 1 9 '3D HNCO' . . . 15412 1 10 '3D 13C-15N HSQC-NOESY' . . . 15412 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 3 3 SER HA H 1 4.489 0.007 . 1 . . . . 3 S HA . 15412 1 2 . 1 1 3 3 SER HB2 H 1 3.834 0.005 . 2 . . . . 3 S HB . 15412 1 3 . 1 1 3 3 SER HB3 H 1 3.834 0.005 . 2 . . . . 3 S HB . 15412 1 4 . 1 1 3 3 SER C C 13 174.306 0.200 . 1 . . . . 3 S C . 15412 1 5 . 1 1 3 3 SER CA C 13 58.219 0.112 . 1 . . . . 3 S CA . 15412 1 6 . 1 1 3 3 SER CB C 13 63.949 0.097 . 1 . . . . 3 S CB . 15412 1 7 . 1 1 4 4 SER H H 1 8.465 0.005 . 1 . . . . 4 S H . 15412 1 8 . 1 1 4 4 SER HA H 1 4.441 0.009 . 1 . . . . 4 S HA . 15412 1 9 . 1 1 4 4 SER HB2 H 1 3.828 0.007 . 2 . . . . 4 S HB . 15412 1 10 . 1 1 4 4 SER HB3 H 1 3.828 0.007 . 2 . . . . 4 S HB . 15412 1 11 . 1 1 4 4 SER C C 13 173.601 0.200 . 1 . . . . 4 S C . 15412 1 12 . 1 1 4 4 SER CA C 13 58.140 0.107 . 1 . . . . 4 S CA . 15412 1 13 . 1 1 4 4 SER CB C 13 64.015 0.188 . 1 . . . . 4 S CB . 15412 1 14 . 1 1 4 4 SER N N 15 118.290 0.028 . 1 . . . . 4 S N . 15412 1 15 . 1 1 5 5 ALA H H 1 8.297 0.006 . 1 . . . . 5 A H . 15412 1 16 . 1 1 5 5 ALA HA H 1 2.789 0.008 . 1 . . . . 5 A HA . 15412 1 17 . 1 1 5 5 ALA HB1 H 1 0.547 0.040 . 1 . . . . 5 A HB . 15412 1 18 . 1 1 5 5 ALA HB2 H 1 0.547 0.040 . 1 . . . . 5 A HB . 15412 1 19 . 1 1 5 5 ALA HB3 H 1 0.547 0.040 . 1 . . . . 5 A HB . 15412 1 20 . 1 1 5 5 ALA CA C 13 50.440 0.200 . 1 . . . . 5 A CA . 15412 1 21 . 1 1 5 5 ALA CB C 13 18.630 0.088 . 1 . . . . 5 A CB . 15412 1 22 . 1 1 5 5 ALA N N 15 126.949 0.029 . 1 . . . . 5 A N . 15412 1 23 . 1 1 6 6 PRO HA H 1 4.217 0.004 . 1 . . . . 6 P HA . 15412 1 24 . 1 1 6 6 PRO HB2 H 1 2.110 0.009 . 1 . . . . 6 P HB2 . 15412 1 25 . 1 1 6 6 PRO HB3 H 1 1.783 0.005 . 1 . . . . 6 P HB3 . 15412 1 26 . 1 1 6 6 PRO HD2 H 1 3.711 0.007 . 1 . . . . 6 P HD2 . 15412 1 27 . 1 1 6 6 PRO HD3 H 1 3.544 0.008 . 1 . . . . 6 P HD3 . 15412 1 28 . 1 1 6 6 PRO HG2 H 1 1.922 0.008 . 2 . . . . 6 P HG . 15412 1 29 . 1 1 6 6 PRO HG3 H 1 1.922 0.008 . 2 . . . . 6 P HG . 15412 1 30 . 1 1 6 6 PRO C C 13 176.240 0.200 . 1 . . . . 6 P C . 15412 1 31 . 1 1 6 6 PRO CA C 13 62.713 0.163 . 1 . . . . 6 P CA . 15412 1 32 . 1 1 6 6 PRO CB C 13 32.067 0.037 . 1 . . . . 6 P CB . 15412 1 33 . 1 1 6 6 PRO CD C 13 50.477 0.105 . 1 . . . . 6 P CD . 15412 1 34 . 1 1 6 6 PRO CG C 13 27.451 0.048 . 1 . . . . 6 P CG . 15412 1 35 . 1 1 7 7 ASN H H 1 8.470 0.006 . 1 . . . . 7 N H . 15412 1 36 . 1 1 7 7 ASN HA H 1 4.755 0.020 . 1 . . . . 7 N HA . 15412 1 37 . 1 1 7 7 ASN HB2 H 1 2.836 0.034 . 1 . . . . 7 N HB2 . 15412 1 38 . 1 1 7 7 ASN HB3 H 1 2.598 0.008 . 1 . . . . 7 N HB3 . 15412 1 39 . 1 1 7 7 ASN HD21 H 1 8.148 0.008 . 1 . . . . 7 N HD21 . 15412 1 40 . 1 1 7 7 ASN HD22 H 1 6.920 0.008 . 1 . . . . 7 N HD22 . 15412 1 41 . 1 1 7 7 ASN CA C 13 51.924 0.003 . 1 . . . . 7 N CA . 15412 1 42 . 1 1 7 7 ASN CB C 13 39.554 0.049 . 1 . . . . 7 N CB . 15412 1 43 . 1 1 7 7 ASN N N 15 121.972 0.028 . 1 . . . . 7 N N . 15412 1 44 . 1 1 7 7 ASN ND2 N 15 115.216 0.259 . 1 . . . . 7 N ND2 . 15412 1 45 . 1 1 8 8 PRO HA H 1 4.287 0.007 . 1 . . . . 8 P HA . 15412 1 46 . 1 1 8 8 PRO HB2 H 1 2.272 0.011 . 1 . . . . 8 P HB2 . 15412 1 47 . 1 1 8 8 PRO HB3 H 1 1.862 0.012 . 1 . . . . 8 P HB3 . 15412 1 48 . 1 1 8 8 PRO HD2 H 1 3.627 0.020 . 1 . . . . 8 P HD2 . 15412 1 49 . 1 1 8 8 PRO HD3 H 1 3.638 0.020 . 1 . . . . 8 P HD3 . 15412 1 50 . 1 1 8 8 PRO HG2 H 1 1.886 0.020 . 1 . . . . 8 P HG2 . 15412 1 51 . 1 1 8 8 PRO HG3 H 1 1.892 0.020 . 1 . . . . 8 P HG3 . 15412 1 52 . 1 1 8 8 PRO C C 13 175.502 0.200 . 1 . . . . 8 P C . 15412 1 53 . 1 1 8 8 PRO CA C 13 64.270 0.242 . 1 . . . . 8 P CA . 15412 1 54 . 1 1 8 8 PRO CB C 13 32.389 0.134 . 1 . . . . 8 P CB . 15412 1 55 . 1 1 8 8 PRO CD C 13 51.374 0.200 . 1 . . . . 8 P CD . 15412 1 56 . 1 1 8 8 PRO CG C 13 27.398 0.200 . 1 . . . . 8 P CG . 15412 1 57 . 1 1 9 9 LYS H H 1 8.369 0.009 . 1 . . . . 9 K H . 15412 1 58 . 1 1 9 9 LYS HA H 1 4.142 0.018 . 1 . . . . 9 K HA . 15412 1 59 . 1 1 9 9 LYS HB2 H 1 1.848 0.033 . 1 . . . . 9 K HB2 . 15412 1 60 . 1 1 9 9 LYS HB3 H 1 1.603 0.118 . 1 . . . . 9 K HB3 . 15412 1 61 . 1 1 9 9 LYS C C 13 175.572 0.200 . 1 . . . . 9 K C . 15412 1 62 . 1 1 9 9 LYS CA C 13 56.862 0.078 . 1 . . . . 9 K CA . 15412 1 63 . 1 1 9 9 LYS CB C 13 32.960 0.093 . 1 . . . . 9 K CB . 15412 1 64 . 1 1 9 9 LYS CD C 13 29.514 0.200 . 1 . . . . 9 K CD . 15412 1 65 . 1 1 9 9 LYS CE C 13 42.478 0.200 . 1 . . . . 9 K CE . 15412 1 66 . 1 1 9 9 LYS CG C 13 26.259 0.200 . 1 . . . . 9 K CG . 15412 1 67 . 1 1 9 9 LYS N N 15 116.275 0.028 . 1 . . . . 9 K N . 15412 1 68 . 1 1 10 10 ALA H H 1 7.420 0.007 . 1 . . . . 10 A H . 15412 1 69 . 1 1 10 10 ALA HA H 1 2.787 0.009 . 1 . . . . 10 A HA . 15412 1 70 . 1 1 10 10 ALA HB1 H 1 0.515 0.011 . 1 . . . . 10 A HB . 15412 1 71 . 1 1 10 10 ALA HB2 H 1 0.515 0.011 . 1 . . . . 10 A HB . 15412 1 72 . 1 1 10 10 ALA HB3 H 1 0.515 0.011 . 1 . . . . 10 A HB . 15412 1 73 . 1 1 10 10 ALA C C 13 173.199 0.200 . 1 . . . . 10 A C . 15412 1 74 . 1 1 10 10 ALA CA C 13 49.804 0.077 . 1 . . . . 10 A CA . 15412 1 75 . 1 1 10 10 ALA CB C 13 17.596 0.068 . 1 . . . . 10 A CB . 15412 1 76 . 1 1 10 10 ALA N N 15 122.367 0.034 . 1 . . . . 10 A N . 15412 1 77 . 1 1 11 11 PHE H H 1 6.589 0.028 . 1 . . . . 11 F H . 15412 1 78 . 1 1 11 11 PHE HA H 1 4.683 0.038 . 1 . . . . 11 F HA . 15412 1 79 . 1 1 11 11 PHE HB2 H 1 2.853 0.020 . 1 . . . . 11 F HB2 . 15412 1 80 . 1 1 11 11 PHE HB3 H 1 2.648 0.020 . 1 . . . . 11 F HB3 . 15412 1 81 . 1 1 11 11 PHE HD1 H 1 6.740 0.006 . 3 . . . . 11 F HD1 . 15412 1 82 . 1 1 11 11 PHE HD2 H 1 6.946 0.020 . 3 . . . . 11 F HD2 . 15412 1 83 . 1 1 11 11 PHE HE1 H 1 6.946 0.020 . 3 . . . . 11 F HE1 . 15412 1 84 . 1 1 11 11 PHE CA C 13 53.605 0.065 . 1 . . . . 11 F CA . 15412 1 85 . 1 1 11 11 PHE CB C 13 41.030 0.032 . 1 . . . . 11 F CB . 15412 1 86 . 1 1 11 11 PHE CD1 C 13 130.754 0.035 . 3 . . . . 11 F CD1 . 15412 1 87 . 1 1 11 11 PHE CD2 C 13 131.081 0.200 . 3 . . . . 11 F CD2 . 15412 1 88 . 1 1 11 11 PHE CE1 C 13 130.781 0.200 . 3 . . . . 11 F CE1 . 15412 1 89 . 1 1 11 11 PHE N N 15 121.265 0.218 . 1 . . . . 11 F N . 15412 1 90 . 1 1 12 12 PRO HA H 1 4.209 0.025 . 1 . . . . 12 P HA . 15412 1 91 . 1 1 12 12 PRO HB2 H 1 2.095 0.012 . 1 . . . . 12 P HB2 . 15412 1 92 . 1 1 12 12 PRO HB3 H 1 1.772 0.011 . 1 . . . . 12 P HB3 . 15412 1 93 . 1 1 12 12 PRO HD2 H 1 3.715 0.001 . 1 . . . . 12 P HD2 . 15412 1 94 . 1 1 12 12 PRO HD3 H 1 3.547 0.003 . 1 . . . . 12 P HD3 . 15412 1 95 . 1 1 12 12 PRO HG2 H 1 1.820 0.147 . 1 . . . . 12 P HG2 . 15412 1 96 . 1 1 12 12 PRO HG3 H 1 1.604 0.020 . 1 . . . . 12 P HG3 . 15412 1 97 . 1 1 12 12 PRO C C 13 173.756 0.200 . 1 . . . . 12 P C . 15412 1 98 . 1 1 12 12 PRO CA C 13 62.666 0.189 . 1 . . . . 12 P CA . 15412 1 99 . 1 1 12 12 PRO CB C 13 33.279 1.041 . 1 . . . . 12 P CB . 15412 1 100 . 1 1 12 12 PRO CD C 13 50.000 0.200 . 1 . . . . 12 P CD . 15412 1 101 . 1 1 12 12 PRO CG C 13 31.568 0.007 . 1 . . . . 12 P CG . 15412 1 102 . 1 1 13 13 LEU H H 1 8.727 0.015 . 1 . . . . 13 L H . 15412 1 103 . 1 1 13 13 LEU HA H 1 4.739 0.005 . 1 . . . . 13 L HA . 15412 1 104 . 1 1 13 13 LEU HB2 H 1 1.716 0.007 . 1 . . . . 13 L HB2 . 15412 1 105 . 1 1 13 13 LEU HB3 H 1 1.286 0.008 . 1 . . . . 13 L HB3 . 15412 1 106 . 1 1 13 13 LEU HD11 H 1 0.737 0.025 . 1 . . . . 13 L HD1 . 15412 1 107 . 1 1 13 13 LEU HD12 H 1 0.737 0.025 . 1 . . . . 13 L HD1 . 15412 1 108 . 1 1 13 13 LEU HD13 H 1 0.737 0.025 . 1 . . . . 13 L HD1 . 15412 1 109 . 1 1 13 13 LEU HD21 H 1 0.582 0.019 . 1 . . . . 13 L HD2 . 15412 1 110 . 1 1 13 13 LEU HD22 H 1 0.582 0.019 . 1 . . . . 13 L HD2 . 15412 1 111 . 1 1 13 13 LEU HD23 H 1 0.582 0.019 . 1 . . . . 13 L HD2 . 15412 1 112 . 1 1 13 13 LEU HG H 1 1.400 0.010 . 1 . . . . 13 L HG . 15412 1 113 . 1 1 13 13 LEU C C 13 175.962 0.200 . 1 . . . . 13 L C . 15412 1 114 . 1 1 13 13 LEU CA C 13 53.087 0.220 . 1 . . . . 13 L CA . 15412 1 115 . 1 1 13 13 LEU CB C 13 43.628 0.129 . 1 . . . . 13 L CB . 15412 1 116 . 1 1 13 13 LEU CD1 C 13 23.798 0.277 . 1 . . . . 13 L CD1 . 15412 1 117 . 1 1 13 13 LEU CD2 C 13 23.569 0.102 . 1 . . . . 13 L CD2 . 15412 1 118 . 1 1 13 13 LEU CG C 13 26.540 0.040 . 1 . . . . 13 L CG . 15412 1 119 . 1 1 13 13 LEU N N 15 125.610 0.033 . 1 . . . . 13 L N . 15412 1 120 . 1 1 14 14 ALA H H 1 8.628 0.004 . 1 . . . . 14 A H . 15412 1 121 . 1 1 14 14 ALA HA H 1 4.040 0.026 . 1 . . . . 14 A HA . 15412 1 122 . 1 1 14 14 ALA HB1 H 1 1.244 0.010 . 1 . . . . 14 A HB . 15412 1 123 . 1 1 14 14 ALA HB2 H 1 1.244 0.010 . 1 . . . . 14 A HB . 15412 1 124 . 1 1 14 14 ALA HB3 H 1 1.244 0.010 . 1 . . . . 14 A HB . 15412 1 125 . 1 1 14 14 ALA C C 13 176.522 0.200 . 1 . . . . 14 A C . 15412 1 126 . 1 1 14 14 ALA CA C 13 52.458 0.315 . 1 . . . . 14 A CA . 15412 1 127 . 1 1 14 14 ALA CB C 13 20.268 0.161 . 1 . . . . 14 A CB . 15412 1 128 . 1 1 14 14 ALA N N 15 130.805 0.036 . 1 . . . . 14 A N . 15412 1 129 . 1 1 15 15 ASP H H 1 8.333 0.009 . 1 . . . . 15 D H . 15412 1 130 . 1 1 15 15 ASP HA H 1 4.236 0.195 . 1 . . . . 15 D HA . 15412 1 131 . 1 1 15 15 ASP HB2 H 1 3.180 0.027 . 1 . . . . 15 D HB2 . 15412 1 132 . 1 1 15 15 ASP HB3 H 1 2.835 0.033 . 1 . . . . 15 D HB3 . 15412 1 133 . 1 1 15 15 ASP C C 13 177.045 0.200 . 1 . . . . 15 D C . 15412 1 134 . 1 1 15 15 ASP CA C 13 52.418 0.102 . 1 . . . . 15 D CA . 15412 1 135 . 1 1 15 15 ASP CB C 13 40.389 0.173 . 1 . . . . 15 D CB . 15412 1 136 . 1 1 15 15 ASP N N 15 120.220 0.059 . 1 . . . . 15 D N . 15412 1 137 . 1 1 16 16 ALA H H 1 8.617 0.007 . 1 . . . . 16 A H . 15412 1 138 . 1 1 16 16 ALA HA H 1 3.968 0.009 . 1 . . . . 16 A HA . 15412 1 139 . 1 1 16 16 ALA HB1 H 1 1.333 0.070 . 1 . . . . 16 A HB . 15412 1 140 . 1 1 16 16 ALA HB2 H 1 1.333 0.070 . 1 . . . . 16 A HB . 15412 1 141 . 1 1 16 16 ALA HB3 H 1 1.333 0.070 . 1 . . . . 16 A HB . 15412 1 142 . 1 1 16 16 ALA C C 13 180.541 0.200 . 1 . . . . 16 A C . 15412 1 143 . 1 1 16 16 ALA CA C 13 56.402 0.088 . 1 . . . . 16 A CA . 15412 1 144 . 1 1 16 16 ALA CB C 13 18.237 0.134 . 1 . . . . 16 A CB . 15412 1 145 . 1 1 16 16 ALA N N 15 122.939 0.048 . 1 . . . . 16 A N . 15412 1 146 . 1 1 17 17 ALA H H 1 8.111 0.005 . 1 . . . . 17 A H . 15412 1 147 . 1 1 17 17 ALA HA H 1 4.108 0.008 . 1 . . . . 17 A HA . 15412 1 148 . 1 1 17 17 ALA HB1 H 1 1.375 0.011 . 1 . . . . 17 A HB . 15412 1 149 . 1 1 17 17 ALA HB2 H 1 1.375 0.011 . 1 . . . . 17 A HB . 15412 1 150 . 1 1 17 17 ALA HB3 H 1 1.375 0.011 . 1 . . . . 17 A HB . 15412 1 151 . 1 1 17 17 ALA C C 13 180.769 0.200 . 1 . . . . 17 A C . 15412 1 152 . 1 1 17 17 ALA CA C 13 54.953 0.075 . 1 . . . . 17 A CA . 15412 1 153 . 1 1 17 17 ALA CB C 13 18.397 0.222 . 1 . . . . 17 A CB . 15412 1 154 . 1 1 17 17 ALA N N 15 121.612 0.036 . 1 . . . . 17 A N . 15412 1 155 . 1 1 18 18 LEU H H 1 8.688 0.010 . 1 . . . . 18 L H . 15412 1 156 . 1 1 18 18 LEU HA H 1 4.234 0.004 . 1 . . . . 18 L HA . 15412 1 157 . 1 1 18 18 LEU HB2 H 1 1.760 0.033 . 1 . . . . 18 L HB2 . 15412 1 158 . 1 1 18 18 LEU HB3 H 1 1.660 0.015 . 1 . . . . 18 L HB3 . 15412 1 159 . 1 1 18 18 LEU HD11 H 1 0.846 0.020 . 1 . . . . 18 L HD1 . 15412 1 160 . 1 1 18 18 LEU HD12 H 1 0.846 0.020 . 1 . . . . 18 L HD1 . 15412 1 161 . 1 1 18 18 LEU HD13 H 1 0.846 0.020 . 1 . . . . 18 L HD1 . 15412 1 162 . 1 1 18 18 LEU HD21 H 1 0.752 0.018 . 1 . . . . 18 L HD2 . 15412 1 163 . 1 1 18 18 LEU HD22 H 1 0.752 0.018 . 1 . . . . 18 L HD2 . 15412 1 164 . 1 1 18 18 LEU HD23 H 1 0.752 0.018 . 1 . . . . 18 L HD2 . 15412 1 165 . 1 1 18 18 LEU HG H 1 1.510 0.031 . 1 . . . . 18 L HG . 15412 1 166 . 1 1 18 18 LEU C C 13 178.978 0.200 . 1 . . . . 18 L C . 15412 1 167 . 1 1 18 18 LEU CA C 13 57.076 0.628 . 1 . . . . 18 L CA . 15412 1 168 . 1 1 18 18 LEU CB C 13 40.253 0.085 . 1 . . . . 18 L CB . 15412 1 169 . 1 1 18 18 LEU CD1 C 13 24.008 0.200 . 1 . . . . 18 L CD1 . 15412 1 170 . 1 1 18 18 LEU CD2 C 13 23.435 0.307 . 1 . . . . 18 L CD2 . 15412 1 171 . 1 1 18 18 LEU CG C 13 26.350 0.041 . 1 . . . . 18 L CG . 15412 1 172 . 1 1 18 18 LEU N N 15 122.052 0.084 . 1 . . . . 18 L N . 15412 1 173 . 1 1 19 19 THR H H 1 9.080 0.009 . 1 . . . . 19 T H . 15412 1 174 . 1 1 19 19 THR HA H 1 3.505 0.011 . 1 . . . . 19 T HA . 15412 1 175 . 1 1 19 19 THR HB H 1 4.207 0.016 . 1 . . . . 19 T HB . 15412 1 176 . 1 1 19 19 THR HG21 H 1 1.098 0.016 . 1 . . . . 19 T HG2 . 15412 1 177 . 1 1 19 19 THR HG22 H 1 1.098 0.016 . 1 . . . . 19 T HG2 . 15412 1 178 . 1 1 19 19 THR HG23 H 1 1.098 0.016 . 1 . . . . 19 T HG2 . 15412 1 179 . 1 1 19 19 THR C C 13 176.304 0.200 . 1 . . . . 19 T C . 15412 1 180 . 1 1 19 19 THR CA C 13 68.313 0.764 . 1 . . . . 19 T CA . 15412 1 181 . 1 1 19 19 THR CB C 13 68.469 0.480 . 1 . . . . 19 T CB . 15412 1 182 . 1 1 19 19 THR CG2 C 13 21.054 0.136 . 1 . . . . 19 T CG2 . 15412 1 183 . 1 1 19 19 THR N N 15 117.640 0.055 . 1 . . . . 19 T N . 15412 1 184 . 1 1 20 20 GLN H H 1 7.467 0.006 . 1 . . . . 20 Q H . 15412 1 185 . 1 1 20 20 GLN HA H 1 3.828 0.031 . 1 . . . . 20 Q HA . 15412 1 186 . 1 1 20 20 GLN HB2 H 1 2.116 0.010 . 2 . . . . 20 Q HB . 15412 1 187 . 1 1 20 20 GLN HB3 H 1 2.116 0.010 . 2 . . . . 20 Q HB . 15412 1 188 . 1 1 20 20 GLN HE21 H 1 7.671 0.010 . 1 . . . . 20 Q HE21 . 15412 1 189 . 1 1 20 20 GLN HE22 H 1 6.853 0.010 . 1 . . . . 20 Q HE22 . 15412 1 190 . 1 1 20 20 GLN HG2 H 1 2.363 0.010 . 2 . . . . 20 Q HG . 15412 1 191 . 1 1 20 20 GLN HG3 H 1 2.363 0.010 . 2 . . . . 20 Q HG . 15412 1 192 . 1 1 20 20 GLN C C 13 177.712 0.200 . 1 . . . . 20 Q C . 15412 1 193 . 1 1 20 20 GLN CA C 13 59.129 0.106 . 1 . . . . 20 Q CA . 15412 1 194 . 1 1 20 20 GLN CB C 13 28.249 0.080 . 1 . . . . 20 Q CB . 15412 1 195 . 1 1 20 20 GLN CG C 13 33.830 0.088 . 1 . . . . 20 Q CG . 15412 1 196 . 1 1 20 20 GLN N N 15 118.972 0.055 . 1 . . . . 20 Q N . 15412 1 197 . 1 1 20 20 GLN NE2 N 15 114.750 0.255 . 1 . . . . 20 Q NE2 . 15412 1 198 . 1 1 21 21 GLN H H 1 7.454 0.008 . 1 . . . . 21 Q H . 15412 1 199 . 1 1 21 21 GLN HA H 1 4.070 0.007 . 1 . . . . 21 Q HA . 15412 1 200 . 1 1 21 21 GLN HB2 H 1 2.144 0.020 . 1 . . . . 21 Q HB2 . 15412 1 201 . 1 1 21 21 GLN HB3 H 1 2.030 0.025 . 1 . . . . 21 Q HB3 . 15412 1 202 . 1 1 21 21 GLN HE21 H 1 7.448 0.005 . 1 . . . . 21 Q HE21 . 15412 1 203 . 1 1 21 21 GLN HE22 H 1 6.761 0.015 . 1 . . . . 21 Q HE22 . 15412 1 204 . 1 1 21 21 GLN HG2 H 1 2.505 0.001 . 1 . . . . 21 Q HG2 . 15412 1 205 . 1 1 21 21 GLN HG3 H 1 2.254 0.002 . 1 . . . . 21 Q HG3 . 15412 1 206 . 1 1 21 21 GLN C C 13 179.496 0.200 . 1 . . . . 21 Q C . 15412 1 207 . 1 1 21 21 GLN CA C 13 59.345 0.195 . 1 . . . . 21 Q CA . 15412 1 208 . 1 1 21 21 GLN CB C 13 28.529 0.053 . 1 . . . . 21 Q CB . 15412 1 209 . 1 1 21 21 GLN CG C 13 34.241 0.130 . 1 . . . . 21 Q CG . 15412 1 210 . 1 1 21 21 GLN N N 15 118.741 0.090 . 1 . . . . 21 Q N . 15412 1 211 . 1 1 21 21 GLN NE2 N 15 111.103 0.036 . 1 . . . . 21 Q NE2 . 15412 1 212 . 1 1 22 22 ILE H H 1 8.847 0.006 . 1 . . . . 22 I H . 15412 1 213 . 1 1 22 22 ILE HA H 1 3.484 0.023 . 1 . . . . 22 I HA . 15412 1 214 . 1 1 22 22 ILE HB H 1 1.913 0.015 . 1 . . . . 22 I HB . 15412 1 215 . 1 1 22 22 ILE HD11 H 1 0.508 0.014 . 1 . . . . 22 I HD1 . 15412 1 216 . 1 1 22 22 ILE HD12 H 1 0.508 0.014 . 1 . . . . 22 I HD1 . 15412 1 217 . 1 1 22 22 ILE HD13 H 1 0.508 0.014 . 1 . . . . 22 I HD1 . 15412 1 218 . 1 1 22 22 ILE HG12 H 1 1.176 0.066 . 1 . . . . 22 I HG12 . 15412 1 219 . 1 1 22 22 ILE HG13 H 1 0.861 0.002 . 1 . . . . 22 I HG13 . 15412 1 220 . 1 1 22 22 ILE HG21 H 1 0.745 0.038 . 1 . . . . 22 I HG2 . 15412 1 221 . 1 1 22 22 ILE HG22 H 1 0.745 0.038 . 1 . . . . 22 I HG2 . 15412 1 222 . 1 1 22 22 ILE HG23 H 1 0.745 0.038 . 1 . . . . 22 I HG2 . 15412 1 223 . 1 1 22 22 ILE C C 13 177.430 0.200 . 1 . . . . 22 I C . 15412 1 224 . 1 1 22 22 ILE CA C 13 66.122 0.155 . 1 . . . . 22 I CA . 15412 1 225 . 1 1 22 22 ILE CB C 13 38.235 0.109 . 1 . . . . 22 I CB . 15412 1 226 . 1 1 22 22 ILE CD1 C 13 16.566 0.007 . 1 . . . . 22 I CD1 . 15412 1 227 . 1 1 22 22 ILE CG1 C 13 30.406 0.200 . 1 . . . . 22 I CG1 . 15412 1 228 . 1 1 22 22 ILE CG2 C 13 19.330 0.200 . 1 . . . . 22 I CG2 . 15412 1 229 . 1 1 22 22 ILE N N 15 119.911 0.046 . 1 . . . . 22 I N . 15412 1 230 . 1 1 23 23 LEU H H 1 8.880 0.008 . 1 . . . . 23 L H . 15412 1 231 . 1 1 23 23 LEU HA H 1 3.804 0.009 . 1 . . . . 23 L HA . 15412 1 232 . 1 1 23 23 LEU HB2 H 1 1.870 0.012 . 1 . . . . 23 L HB2 . 15412 1 233 . 1 1 23 23 LEU HB3 H 1 1.330 0.007 . 1 . . . . 23 L HB3 . 15412 1 234 . 1 1 23 23 LEU HD11 H 1 0.636 0.012 . 1 . . . . 23 L HD1 . 15412 1 235 . 1 1 23 23 LEU HD12 H 1 0.636 0.012 . 1 . . . . 23 L HD1 . 15412 1 236 . 1 1 23 23 LEU HD13 H 1 0.636 0.012 . 1 . . . . 23 L HD1 . 15412 1 237 . 1 1 23 23 LEU HD21 H 1 0.743 0.029 . 1 . . . . 23 L HD2 . 15412 1 238 . 1 1 23 23 LEU HD22 H 1 0.743 0.029 . 1 . . . . 23 L HD2 . 15412 1 239 . 1 1 23 23 LEU HD23 H 1 0.743 0.029 . 1 . . . . 23 L HD2 . 15412 1 240 . 1 1 23 23 LEU HG H 1 1.993 0.011 . 1 . . . . 23 L HG . 15412 1 241 . 1 1 23 23 LEU C C 13 179.628 0.200 . 1 . . . . 23 L C . 15412 1 242 . 1 1 23 23 LEU CA C 13 58.196 0.115 . 1 . . . . 23 L CA . 15412 1 243 . 1 1 23 23 LEU CB C 13 39.561 0.095 . 1 . . . . 23 L CB . 15412 1 244 . 1 1 23 23 LEU CD1 C 13 21.954 0.131 . 1 . . . . 23 L CD1 . 15412 1 245 . 1 1 23 23 LEU CD2 C 13 19.227 0.255 . 1 . . . . 23 L CD2 . 15412 1 246 . 1 1 23 23 LEU CG C 13 26.370 0.027 . 1 . . . . 23 L CG . 15412 1 247 . 1 1 23 23 LEU N N 15 118.444 0.071 . 1 . . . . 23 L N . 15412 1 248 . 1 1 24 24 ASP H H 1 8.232 0.007 . 1 . . . . 24 D H . 15412 1 249 . 1 1 24 24 ASP HA H 1 4.434 0.007 . 1 . . . . 24 D HA . 15412 1 250 . 1 1 24 24 ASP HB2 H 1 2.793 0.005 . 1 . . . . 24 D HB2 . 15412 1 251 . 1 1 24 24 ASP HB3 H 1 2.662 0.014 . 1 . . . . 24 D HB3 . 15412 1 252 . 1 1 24 24 ASP C C 13 179.020 0.200 . 1 . . . . 24 D C . 15412 1 253 . 1 1 24 24 ASP CA C 13 57.679 0.095 . 1 . . . . 24 D CA . 15412 1 254 . 1 1 24 24 ASP CB C 13 40.782 0.127 . 1 . . . . 24 D CB . 15412 1 255 . 1 1 24 24 ASP N N 15 120.452 0.054 . 1 . . . . 24 D N . 15412 1 256 . 1 1 25 25 VAL H H 1 7.657 0.009 . 1 . . . . 25 V H . 15412 1 257 . 1 1 25 25 VAL HA H 1 3.815 0.010 . 1 . . . . 25 V HA . 15412 1 258 . 1 1 25 25 VAL HB H 1 2.256 0.008 . 1 . . . . 25 V HB . 15412 1 259 . 1 1 25 25 VAL HG11 H 1 1.031 0.009 . 2 . . . . 25 V HG . 15412 1 260 . 1 1 25 25 VAL HG12 H 1 1.031 0.009 . 2 . . . . 25 V HG . 15412 1 261 . 1 1 25 25 VAL HG13 H 1 1.031 0.009 . 2 . . . . 25 V HG . 15412 1 262 . 1 1 25 25 VAL HG21 H 1 1.031 0.009 . 2 . . . . 25 V HG . 15412 1 263 . 1 1 25 25 VAL HG22 H 1 1.031 0.009 . 2 . . . . 25 V HG . 15412 1 264 . 1 1 25 25 VAL HG23 H 1 1.031 0.009 . 2 . . . . 25 V HG . 15412 1 265 . 1 1 25 25 VAL C C 13 177.212 0.200 . 1 . . . . 25 V C . 15412 1 266 . 1 1 25 25 VAL CA C 13 66.336 0.150 . 1 . . . . 25 V CA . 15412 1 267 . 1 1 25 25 VAL CB C 13 31.578 0.334 . 1 . . . . 25 V CB . 15412 1 268 . 1 1 25 25 VAL CG1 C 13 25.057 0.227 . 2 . . . . 25 V CG . 15412 1 269 . 1 1 25 25 VAL CG2 C 13 25.057 0.227 . 2 . . . . 25 V CG . 15412 1 270 . 1 1 25 25 VAL N N 15 120.672 0.037 . 1 . . . . 25 V N . 15412 1 271 . 1 1 26 26 VAL H H 1 8.779 0.006 . 1 . . . . 26 V H . 15412 1 272 . 1 1 26 26 VAL HA H 1 3.247 0.008 . 1 . . . . 26 V HA . 15412 1 273 . 1 1 26 26 VAL HB H 1 2.134 0.005 . 1 . . . . 26 V HB . 15412 1 274 . 1 1 26 26 VAL HG11 H 1 0.782 0.009 . 1 . . . . 26 V HG1 . 15412 1 275 . 1 1 26 26 VAL HG12 H 1 0.782 0.009 . 1 . . . . 26 V HG1 . 15412 1 276 . 1 1 26 26 VAL HG13 H 1 0.782 0.009 . 1 . . . . 26 V HG1 . 15412 1 277 . 1 1 26 26 VAL HG21 H 1 0.731 0.012 . 1 . . . . 26 V HG2 . 15412 1 278 . 1 1 26 26 VAL HG22 H 1 0.731 0.012 . 1 . . . . 26 V HG2 . 15412 1 279 . 1 1 26 26 VAL HG23 H 1 0.731 0.012 . 1 . . . . 26 V HG2 . 15412 1 280 . 1 1 26 26 VAL C C 13 176.533 0.200 . 1 . . . . 26 V C . 15412 1 281 . 1 1 26 26 VAL CA C 13 67.379 0.123 . 1 . . . . 26 V CA . 15412 1 282 . 1 1 26 26 VAL CB C 13 32.406 1.965 . 1 . . . . 26 V CB . 15412 1 283 . 1 1 26 26 VAL CG1 C 13 23.669 0.056 . 1 . . . . 26 V CG1 . 15412 1 284 . 1 1 26 26 VAL CG2 C 13 23.550 0.106 . 1 . . . . 26 V CG2 . 15412 1 285 . 1 1 26 26 VAL N N 15 122.810 0.044 . 1 . . . . 26 V N . 15412 1 286 . 1 1 27 27 GLN H H 1 7.900 0.006 . 1 . . . . 27 Q H . 15412 1 287 . 1 1 27 27 GLN HA H 1 4.444 0.007 . 1 . . . . 27 Q HA . 15412 1 288 . 1 1 27 27 GLN HB2 H 1 2.251 0.011 . 1 . . . . 27 Q HB2 . 15412 1 289 . 1 1 27 27 GLN HB3 H 1 2.200 0.013 . 1 . . . . 27 Q HB3 . 15412 1 290 . 1 1 27 27 GLN HE21 H 1 7.313 0.004 . 1 . . . . 27 Q HE21 . 15412 1 291 . 1 1 27 27 GLN HE22 H 1 6.589 0.003 . 1 . . . . 27 Q HE22 . 15412 1 292 . 1 1 27 27 GLN HG2 H 1 2.551 0.055 . 1 . . . . 27 Q HG2 . 15412 1 293 . 1 1 27 27 GLN HG3 H 1 2.342 0.041 . 1 . . . . 27 Q HG3 . 15412 1 294 . 1 1 27 27 GLN C C 13 179.360 0.200 . 1 . . . . 27 Q C . 15412 1 295 . 1 1 27 27 GLN CA C 13 58.779 0.115 . 1 . . . . 27 Q CA . 15412 1 296 . 1 1 27 27 GLN CB C 13 28.850 0.094 . 1 . . . . 27 Q CB . 15412 1 297 . 1 1 27 27 GLN CG C 13 34.396 0.022 . 1 . . . . 27 Q CG . 15412 1 298 . 1 1 27 27 GLN N N 15 118.593 0.050 . 1 . . . . 27 Q N . 15412 1 299 . 1 1 27 27 GLN NE2 N 15 108.475 0.262 . 1 . . . . 27 Q NE2 . 15412 1 300 . 1 1 28 28 GLN H H 1 7.584 0.007 . 1 . . . . 28 Q H . 15412 1 301 . 1 1 28 28 GLN HA H 1 4.076 0.007 . 1 . . . . 28 Q HA . 15412 1 302 . 1 1 28 28 GLN HB2 H 1 2.121 0.049 . 1 . . . . 28 Q HB2 . 15412 1 303 . 1 1 28 28 GLN HB3 H 1 2.024 0.058 . 1 . . . . 28 Q HB3 . 15412 1 304 . 1 1 28 28 GLN HE21 H 1 7.183 0.008 . 1 . . . . 28 Q HE21 . 15412 1 305 . 1 1 28 28 GLN HE22 H 1 6.749 0.017 . 1 . . . . 28 Q HE22 . 15412 1 306 . 1 1 28 28 GLN HG2 H 1 2.618 0.009 . 1 . . . . 28 Q HG2 . 15412 1 307 . 1 1 28 28 GLN HG3 H 1 2.299 0.004 . 1 . . . . 28 Q HG3 . 15412 1 308 . 1 1 28 28 GLN C C 13 178.806 0.200 . 1 . . . . 28 Q C . 15412 1 309 . 1 1 28 28 GLN CA C 13 58.994 0.076 . 1 . . . . 28 Q CA . 15412 1 310 . 1 1 28 28 GLN CB C 13 29.937 0.044 . 1 . . . . 28 Q CB . 15412 1 311 . 1 1 28 28 GLN CG C 13 34.959 0.002 . 1 . . . . 28 Q CG . 15412 1 312 . 1 1 28 28 GLN N N 15 117.527 0.053 . 1 . . . . 28 Q N . 15412 1 313 . 1 1 28 28 GLN NE2 N 15 111.273 0.265 . 1 . . . . 28 Q NE2 . 15412 1 314 . 1 1 29 29 ALA H H 1 9.041 0.005 . 1 . . . . 29 A H . 15412 1 315 . 1 1 29 29 ALA HA H 1 3.737 0.010 . 1 . . . . 29 A HA . 15412 1 316 . 1 1 29 29 ALA HB1 H 1 1.290 0.005 . 1 . . . . 29 A HB . 15412 1 317 . 1 1 29 29 ALA HB2 H 1 1.290 0.005 . 1 . . . . 29 A HB . 15412 1 318 . 1 1 29 29 ALA HB3 H 1 1.290 0.005 . 1 . . . . 29 A HB . 15412 1 319 . 1 1 29 29 ALA C C 13 180.030 0.200 . 1 . . . . 29 A C . 15412 1 320 . 1 1 29 29 ALA CA C 13 55.208 0.180 . 1 . . . . 29 A CA . 15412 1 321 . 1 1 29 29 ALA CB C 13 18.279 0.270 . 1 . . . . 29 A CB . 15412 1 322 . 1 1 29 29 ALA N N 15 122.544 0.050 . 1 . . . . 29 A N . 15412 1 323 . 1 1 30 30 ALA H H 1 8.948 0.006 . 1 . . . . 30 A H . 15412 1 324 . 1 1 30 30 ALA HA H 1 3.952 0.008 . 1 . . . . 30 A HA . 15412 1 325 . 1 1 30 30 ALA HB1 H 1 1.434 0.010 . 1 . . . . 30 A HB . 15412 1 326 . 1 1 30 30 ALA HB2 H 1 1.434 0.010 . 1 . . . . 30 A HB . 15412 1 327 . 1 1 30 30 ALA HB3 H 1 1.434 0.010 . 1 . . . . 30 A HB . 15412 1 328 . 1 1 30 30 ALA C C 13 181.471 0.200 . 1 . . . . 30 A C . 15412 1 329 . 1 1 30 30 ALA CA C 13 56.017 1.493 . 1 . . . . 30 A CA . 15412 1 330 . 1 1 30 30 ALA CB C 13 17.722 0.133 . 1 . . . . 30 A CB . 15412 1 331 . 1 1 30 30 ALA N N 15 122.155 0.046 . 1 . . . . 30 A N . 15412 1 332 . 1 1 31 31 ASN H H 1 7.558 0.009 . 1 . . . . 31 N H . 15412 1 333 . 1 1 31 31 ASN HA H 1 4.530 0.005 . 1 . . . . 31 N HA . 15412 1 334 . 1 1 31 31 ASN HB2 H 1 2.896 0.011 . 2 . . . . 31 N HB . 15412 1 335 . 1 1 31 31 ASN HB3 H 1 2.896 0.011 . 2 . . . . 31 N HB . 15412 1 336 . 1 1 31 31 ASN HD21 H 1 7.587 0.005 . 1 . . . . 31 N HD21 . 15412 1 337 . 1 1 31 31 ASN HD22 H 1 6.971 0.004 . 1 . . . . 31 N HD22 . 15412 1 338 . 1 1 31 31 ASN C C 13 175.811 0.200 . 1 . . . . 31 N C . 15412 1 339 . 1 1 31 31 ASN CA C 13 55.434 0.060 . 1 . . . . 31 N CA . 15412 1 340 . 1 1 31 31 ASN CB C 13 38.765 0.108 . 1 . . . . 31 N CB . 15412 1 341 . 1 1 31 31 ASN N N 15 117.260 0.109 . 1 . . . . 31 N N . 15412 1 342 . 1 1 31 31 ASN ND2 N 15 112.900 0.258 . 1 . . . . 31 N ND2 . 15412 1 343 . 1 1 32 32 LEU H H 1 7.474 0.006 . 1 . . . . 32 L H . 15412 1 344 . 1 1 32 32 LEU HA H 1 4.423 0.011 . 1 . . . . 32 L HA . 15412 1 345 . 1 1 32 32 LEU HB2 H 1 1.902 0.007 . 1 . . . . 32 L HB2 . 15412 1 346 . 1 1 32 32 LEU HB3 H 1 1.517 0.009 . 1 . . . . 32 L HB3 . 15412 1 347 . 1 1 32 32 LEU HD11 H 1 0.856 0.010 . 2 . . . . 32 L HD . 15412 1 348 . 1 1 32 32 LEU HD12 H 1 0.856 0.010 . 2 . . . . 32 L HD . 15412 1 349 . 1 1 32 32 LEU HD13 H 1 0.856 0.010 . 2 . . . . 32 L HD . 15412 1 350 . 1 1 32 32 LEU HD21 H 1 0.856 0.010 . 2 . . . . 32 L HD . 15412 1 351 . 1 1 32 32 LEU HD22 H 1 0.856 0.010 . 2 . . . . 32 L HD . 15412 1 352 . 1 1 32 32 LEU HD23 H 1 0.856 0.010 . 2 . . . . 32 L HD . 15412 1 353 . 1 1 32 32 LEU HG H 1 1.704 0.017 . 1 . . . . 32 L HG . 15412 1 354 . 1 1 32 32 LEU C C 13 179.114 0.200 . 1 . . . . 32 L C . 15412 1 355 . 1 1 32 32 LEU CA C 13 54.349 0.082 . 1 . . . . 32 L CA . 15412 1 356 . 1 1 32 32 LEU CB C 13 42.200 0.067 . 1 . . . . 32 L CB . 15412 1 357 . 1 1 32 32 LEU CD1 C 13 22.718 0.127 . 2 . . . . 32 L CD . 15412 1 358 . 1 1 32 32 LEU CD2 C 13 22.718 0.127 . 2 . . . . 32 L CD . 15412 1 359 . 1 1 32 32 LEU CG C 13 26.770 0.013 . 1 . . . . 32 L CG . 15412 1 360 . 1 1 32 32 LEU N N 15 118.694 0.023 . 1 . . . . 32 L N . 15412 1 361 . 1 1 33 33 ARG H H 1 7.837 0.007 . 1 . . . . 33 R H . 15412 1 362 . 1 1 33 33 ARG HA H 1 4.050 0.005 . 1 . . . . 33 R HA . 15412 1 363 . 1 1 33 33 ARG HB2 H 1 2.089 0.013 . 1 . . . . 33 R HB2 . 15412 1 364 . 1 1 33 33 ARG HB3 H 1 1.988 0.009 . 1 . . . . 33 R HB3 . 15412 1 365 . 1 1 33 33 ARG HD2 H 1 3.183 0.009 . 2 . . . . 33 R HD . 15412 1 366 . 1 1 33 33 ARG HD3 H 1 3.183 0.009 . 2 . . . . 33 R HD . 15412 1 367 . 1 1 33 33 ARG HG2 H 1 1.555 0.003 . 2 . . . . 33 R HG . 15412 1 368 . 1 1 33 33 ARG HG3 H 1 1.555 0.003 . 2 . . . . 33 R HG . 15412 1 369 . 1 1 33 33 ARG C C 13 176.152 0.200 . 1 . . . . 33 R C . 15412 1 370 . 1 1 33 33 ARG CA C 13 57.685 0.200 . 1 . . . . 33 R CA . 15412 1 371 . 1 1 33 33 ARG CB C 13 26.418 0.557 . 1 . . . . 33 R CB . 15412 1 372 . 1 1 33 33 ARG CD C 13 43.649 0.004 . 1 . . . . 33 R CD . 15412 1 373 . 1 1 33 33 ARG CG C 13 27.899 0.111 . 1 . . . . 33 R CG . 15412 1 374 . 1 1 33 33 ARG N N 15 114.830 0.059 . 1 . . . . 33 R N . 15412 1 375 . 1 1 34 34 GLN H H 1 8.472 0.005 . 1 . . . . 34 Q H . 15412 1 376 . 1 1 34 34 GLN HA H 1 4.450 0.008 . 1 . . . . 34 Q HA . 15412 1 377 . 1 1 34 34 GLN HB2 H 1 2.261 0.012 . 1 . . . . 34 Q HB2 . 15412 1 378 . 1 1 34 34 GLN HB3 H 1 1.523 0.011 . 1 . . . . 34 Q HB3 . 15412 1 379 . 1 1 34 34 GLN HE21 H 1 8.181 0.006 . 1 . . . . 34 Q HE21 . 15412 1 380 . 1 1 34 34 GLN HE22 H 1 6.810 0.011 . 1 . . . . 34 Q HE22 . 15412 1 381 . 1 1 34 34 GLN HG2 H 1 2.695 0.018 . 2 . . . . 34 Q HG . 15412 1 382 . 1 1 34 34 GLN HG3 H 1 2.695 0.018 . 2 . . . . 34 Q HG . 15412 1 383 . 1 1 34 34 GLN C C 13 173.787 0.200 . 1 . . . . 34 Q C . 15412 1 384 . 1 1 34 34 GLN CA C 13 53.950 0.092 . 1 . . . . 34 Q CA . 15412 1 385 . 1 1 34 34 GLN CB C 13 31.080 0.197 . 1 . . . . 34 Q CB . 15412 1 386 . 1 1 34 34 GLN CG C 13 35.517 0.448 . 1 . . . . 34 Q CG . 15412 1 387 . 1 1 34 34 GLN N N 15 120.446 0.055 . 1 . . . . 34 Q N . 15412 1 388 . 1 1 34 34 GLN NE2 N 15 112.308 0.226 . 1 . . . . 34 Q NE2 . 15412 1 389 . 1 1 35 35 LEU H H 1 7.054 0.010 . 1 . . . . 35 L H . 15412 1 390 . 1 1 35 35 LEU HA H 1 5.232 0.006 . 1 . . . . 35 L HA . 15412 1 391 . 1 1 35 35 LEU HB2 H 1 1.573 0.009 . 1 . . . . 35 L HB2 . 15412 1 392 . 1 1 35 35 LEU HB3 H 1 0.961 0.010 . 1 . . . . 35 L HB3 . 15412 1 393 . 1 1 35 35 LEU HD11 H 1 0.872 0.017 . 1 . . . . 35 L HD1 . 15412 1 394 . 1 1 35 35 LEU HD12 H 1 0.872 0.017 . 1 . . . . 35 L HD1 . 15412 1 395 . 1 1 35 35 LEU HD13 H 1 0.872 0.017 . 1 . . . . 35 L HD1 . 15412 1 396 . 1 1 35 35 LEU HD21 H 1 0.797 0.015 . 1 . . . . 35 L HD2 . 15412 1 397 . 1 1 35 35 LEU HD22 H 1 0.797 0.015 . 1 . . . . 35 L HD2 . 15412 1 398 . 1 1 35 35 LEU HD23 H 1 0.797 0.015 . 1 . . . . 35 L HD2 . 15412 1 399 . 1 1 35 35 LEU HG H 1 1.170 0.098 . 1 . . . . 35 L HG . 15412 1 400 . 1 1 35 35 LEU C C 13 175.827 0.200 . 1 . . . . 35 L C . 15412 1 401 . 1 1 35 35 LEU CA C 13 53.674 0.179 . 1 . . . . 35 L CA . 15412 1 402 . 1 1 35 35 LEU CB C 13 47.241 0.065 . 1 . . . . 35 L CB . 15412 1 403 . 1 1 35 35 LEU CD1 C 13 25.236 0.200 . 1 . . . . 35 L CD1 . 15412 1 404 . 1 1 35 35 LEU CD2 C 13 25.120 0.200 . 1 . . . . 35 L CD2 . 15412 1 405 . 1 1 35 35 LEU CG C 13 27.495 0.010 . 1 . . . . 35 L CG . 15412 1 406 . 1 1 35 35 LEU N N 15 118.793 0.150 . 1 . . . . 35 L N . 15412 1 407 . 1 1 36 36 LYS H H 1 9.078 0.007 . 1 . . . . 36 K H . 15412 1 408 . 1 1 36 36 LYS HA H 1 4.779 0.008 . 1 . . . . 36 K HA . 15412 1 409 . 1 1 36 36 LYS HB2 H 1 1.474 0.009 . 2 . . . . 36 K HB . 15412 1 410 . 1 1 36 36 LYS HB3 H 1 1.474 0.009 . 2 . . . . 36 K HB . 15412 1 411 . 1 1 36 36 LYS HD2 H 1 1.749 0.041 . 2 . . . . 36 K HD . 15412 1 412 . 1 1 36 36 LYS HD3 H 1 1.749 0.041 . 2 . . . . 36 K HD . 15412 1 413 . 1 1 36 36 LYS HE2 H 1 2.868 0.010 . 2 . . . . 36 K HE . 15412 1 414 . 1 1 36 36 LYS HE3 H 1 2.868 0.010 . 2 . . . . 36 K HE . 15412 1 415 . 1 1 36 36 LYS HG2 H 1 1.210 0.008 . 2 . . . . 36 K HG . 15412 1 416 . 1 1 36 36 LYS HG3 H 1 1.210 0.008 . 2 . . . . 36 K HG . 15412 1 417 . 1 1 36 36 LYS C C 13 175.273 0.200 . 1 . . . . 36 K C . 15412 1 418 . 1 1 36 36 LYS CA C 13 53.126 0.062 . 1 . . . . 36 K CA . 15412 1 419 . 1 1 36 36 LYS CB C 13 34.905 0.102 . 1 . . . . 36 K CB . 15412 1 420 . 1 1 36 36 LYS CD C 13 32.182 0.024 . 1 . . . . 36 K CD . 15412 1 421 . 1 1 36 36 LYS CE C 13 42.728 0.024 . 1 . . . . 36 K CE . 15412 1 422 . 1 1 36 36 LYS CG C 13 24.011 0.045 . 1 . . . . 36 K CG . 15412 1 423 . 1 1 36 36 LYS N N 15 125.858 0.069 . 1 . . . . 36 K N . 15412 1 424 . 1 1 37 37 LYS H H 1 8.967 0.020 . 1 . . . . 37 K H . 15412 1 425 . 1 1 37 37 LYS HA H 1 4.563 0.065 . 1 . . . . 37 K HA . 15412 1 426 . 1 1 37 37 LYS HB2 H 1 1.834 0.004 . 1 . . . . 37 K HB2 . 15412 1 427 . 1 1 37 37 LYS HB3 H 1 1.724 0.012 . 1 . . . . 37 K HB3 . 15412 1 428 . 1 1 37 37 LYS HD2 H 1 1.588 0.013 . 2 . . . . 37 K HD . 15412 1 429 . 1 1 37 37 LYS HD3 H 1 1.588 0.013 . 2 . . . . 37 K HD . 15412 1 430 . 1 1 37 37 LYS HE2 H 1 2.910 0.002 . 2 . . . . 37 K HE . 15412 1 431 . 1 1 37 37 LYS HE3 H 1 2.910 0.002 . 2 . . . . 37 K HE . 15412 1 432 . 1 1 37 37 LYS HG2 H 1 1.397 0.020 . 1 . . . . 37 K HG2 . 15412 1 433 . 1 1 37 37 LYS HG3 H 1 1.333 0.020 . 1 . . . . 37 K HG3 . 15412 1 434 . 1 1 37 37 LYS C C 13 175.822 0.200 . 1 . . . . 37 K C . 15412 1 435 . 1 1 37 37 LYS CA C 13 56.020 0.118 . 1 . . . . 37 K CA . 15412 1 436 . 1 1 37 37 LYS CB C 13 34.719 0.085 . 1 . . . . 37 K CB . 15412 1 437 . 1 1 37 37 LYS CD C 13 29.492 0.068 . 1 . . . . 37 K CD . 15412 1 438 . 1 1 37 37 LYS CE C 13 43.079 0.050 . 1 . . . . 37 K CE . 15412 1 439 . 1 1 37 37 LYS CG C 13 24.116 0.042 . 1 . . . . 37 K CG . 15412 1 440 . 1 1 37 37 LYS N N 15 121.376 0.111 . 1 . . . . 37 K N . 15412 1 441 . 1 1 38 38 GLY H H 1 8.498 0.010 . 1 . . . . 38 G H . 15412 1 442 . 1 1 38 38 GLY HA2 H 1 4.736 0.005 . 1 . . . . 38 G HA2 . 15412 1 443 . 1 1 38 38 GLY HA3 H 1 3.966 0.008 . 1 . . . . 38 G HA3 . 15412 1 444 . 1 1 38 38 GLY C C 13 174.101 0.200 . 1 . . . . 38 G C . 15412 1 445 . 1 1 38 38 GLY CA C 13 44.524 0.081 . 1 . . . . 38 G CA . 15412 1 446 . 1 1 38 38 GLY N N 15 110.315 0.033 . 1 . . . . 38 G N . 15412 1 447 . 1 1 39 39 ALA H H 1 8.902 0.005 . 1 . . . . 39 A H . 15412 1 448 . 1 1 39 39 ALA HA H 1 3.650 0.008 . 1 . . . . 39 A HA . 15412 1 449 . 1 1 39 39 ALA HB1 H 1 1.330 0.010 . 1 . . . . 39 A HB . 15412 1 450 . 1 1 39 39 ALA HB2 H 1 1.330 0.010 . 1 . . . . 39 A HB . 15412 1 451 . 1 1 39 39 ALA HB3 H 1 1.330 0.010 . 1 . . . . 39 A HB . 15412 1 452 . 1 1 39 39 ALA CA C 13 56.295 0.033 . 1 . . . . 39 A CA . 15412 1 453 . 1 1 39 39 ALA CB C 13 17.884 0.026 . 1 . . . . 39 A CB . 15412 1 454 . 1 1 39 39 ALA N N 15 123.988 0.050 . 1 . . . . 39 A N . 15412 1 455 . 1 1 40 40 ASN HA H 1 4.375 0.027 . 1 . . . . 40 N HA . 15412 1 456 . 1 1 40 40 ASN HB2 H 1 2.845 0.008 . 1 . . . . 40 N HB2 . 15412 1 457 . 1 1 40 40 ASN HB3 H 1 2.773 0.007 . 1 . . . . 40 N HB3 . 15412 1 458 . 1 1 40 40 ASN HD21 H 1 7.712 0.020 . 1 . . . . 40 N HD21 . 15412 1 459 . 1 1 40 40 ASN HD22 H 1 6.986 0.005 . 1 . . . . 40 N HD22 . 15412 1 460 . 1 1 40 40 ASN C C 13 178.456 0.200 . 1 . . . . 40 N C . 15412 1 461 . 1 1 40 40 ASN CA C 13 57.031 0.309 . 1 . . . . 40 N CA . 15412 1 462 . 1 1 40 40 ASN CB C 13 37.656 0.106 . 1 . . . . 40 N CB . 15412 1 463 . 1 1 40 40 ASN ND2 N 15 112.918 0.273 . 1 . . . . 40 N ND2 . 15412 1 464 . 1 1 41 41 GLU H H 1 8.898 0.009 . 1 . . . . 41 E H . 15412 1 465 . 1 1 41 41 GLU HA H 1 3.943 0.050 . 1 . . . . 41 E HA . 15412 1 466 . 1 1 41 41 GLU HB2 H 1 1.800 0.010 . 2 . . . . 41 E HB . 15412 1 467 . 1 1 41 41 GLU HB3 H 1 1.800 0.010 . 2 . . . . 41 E HB . 15412 1 468 . 1 1 41 41 GLU HG2 H 1 2.396 0.031 . 2 . . . . 41 E HG . 15412 1 469 . 1 1 41 41 GLU HG3 H 1 2.396 0.031 . 2 . . . . 41 E HG . 15412 1 470 . 1 1 41 41 GLU C C 13 171.209 0.200 . 1 . . . . 41 E C . 15412 1 471 . 1 1 41 41 GLU CA C 13 59.178 0.212 . 1 . . . . 41 E CA . 15412 1 472 . 1 1 41 41 GLU CB C 13 28.772 0.093 . 1 . . . . 41 E CB . 15412 1 473 . 1 1 41 41 GLU CG C 13 36.657 0.042 . 1 . . . . 41 E CG . 15412 1 474 . 1 1 41 41 GLU N N 15 120.696 0.045 . 1 . . . . 41 E N . 15412 1 475 . 1 1 42 42 ALA H H 1 8.553 0.008 . 1 . . . . 42 A H . 15412 1 476 . 1 1 42 42 ALA HA H 1 3.744 0.009 . 1 . . . . 42 A HA . 15412 1 477 . 1 1 42 42 ALA HB1 H 1 1.111 0.008 . 1 . . . . 42 A HB . 15412 1 478 . 1 1 42 42 ALA HB2 H 1 1.111 0.008 . 1 . . . . 42 A HB . 15412 1 479 . 1 1 42 42 ALA HB3 H 1 1.111 0.008 . 1 . . . . 42 A HB . 15412 1 480 . 1 1 42 42 ALA C C 13 180.671 0.200 . 1 . . . . 42 A C . 15412 1 481 . 1 1 42 42 ALA CA C 13 55.614 0.048 . 1 . . . . 42 A CA . 15412 1 482 . 1 1 42 42 ALA CB C 13 17.040 0.137 . 1 . . . . 42 A CB . 15412 1 483 . 1 1 42 42 ALA N N 15 121.774 0.049 . 1 . . . . 42 A N . 15412 1 484 . 1 1 43 43 THR H H 1 8.184 0.005 . 1 . . . . 43 T H . 15412 1 485 . 1 1 43 43 THR HA H 1 4.457 0.020 . 1 . . . . 43 T HA . 15412 1 486 . 1 1 43 43 THR C C 13 175.572 0.200 . 1 . . . . 43 T C . 15412 1 487 . 1 1 43 43 THR CA C 13 65.935 1.733 . 1 . . . . 43 T CA . 15412 1 488 . 1 1 43 43 THR CB C 13 68.058 0.036 . 1 . . . . 43 T CB . 15412 1 489 . 1 1 43 43 THR CG2 C 13 20.272 0.200 . 1 . . . . 43 T CG2 . 15412 1 490 . 1 1 43 43 THR N N 15 117.765 0.063 . 1 . . . . 43 T N . 15412 1 491 . 1 1 44 44 LYS H H 1 7.741 0.008 . 1 . . . . 44 K H . 15412 1 492 . 1 1 44 44 LYS HA H 1 4.047 0.007 . 1 . . . . 44 K HA . 15412 1 493 . 1 1 44 44 LYS HB2 H 1 1.874 0.006 . 1 . . . . 44 K HB2 . 15412 1 494 . 1 1 44 44 LYS HB3 H 1 1.820 0.004 . 1 . . . . 44 K HB3 . 15412 1 495 . 1 1 44 44 LYS HD2 H 1 1.497 0.027 . 2 . . . . 44 K HD . 15412 1 496 . 1 1 44 44 LYS HD3 H 1 1.497 0.027 . 2 . . . . 44 K HD . 15412 1 497 . 1 1 44 44 LYS HE2 H 1 2.489 0.017 . 1 . . . . 44 K HE2 . 15412 1 498 . 1 1 44 44 LYS HE3 H 1 2.390 0.000 . 1 . . . . 44 K HE3 . 15412 1 499 . 1 1 44 44 LYS HG2 H 1 1.531 0.008 . 1 . . . . 44 K HG2 . 15412 1 500 . 1 1 44 44 LYS HG3 H 1 1.331 0.010 . 1 . . . . 44 K HG3 . 15412 1 501 . 1 1 44 44 LYS C C 13 179.467 0.200 . 1 . . . . 44 K C . 15412 1 502 . 1 1 44 44 LYS CA C 13 60.451 0.096 . 1 . . . . 44 K CA . 15412 1 503 . 1 1 44 44 LYS CB C 13 32.227 0.077 . 1 . . . . 44 K CB . 15412 1 504 . 1 1 44 44 LYS CD C 13 29.688 0.042 . 1 . . . . 44 K CD . 15412 1 505 . 1 1 44 44 LYS CE C 13 42.201 0.050 . 1 . . . . 44 K CE . 15412 1 506 . 1 1 44 44 LYS CG C 13 25.450 0.057 . 1 . . . . 44 K CG . 15412 1 507 . 1 1 44 44 LYS N N 15 120.911 0.077 . 1 . . . . 44 K N . 15412 1 508 . 1 1 45 45 THR H H 1 7.785 0.008 . 1 . . . . 45 T H . 15412 1 509 . 1 1 45 45 THR HA H 1 3.813 0.024 . 1 . . . . 45 T HA . 15412 1 510 . 1 1 45 45 THR HB H 1 4.494 0.008 . 1 . . . . 45 T HB . 15412 1 511 . 1 1 45 45 THR HG21 H 1 1.179 0.007 . 1 . . . . 45 T HG2 . 15412 1 512 . 1 1 45 45 THR HG22 H 1 1.179 0.007 . 1 . . . . 45 T HG2 . 15412 1 513 . 1 1 45 45 THR HG23 H 1 1.179 0.007 . 1 . . . . 45 T HG2 . 15412 1 514 . 1 1 45 45 THR C C 13 175.765 0.200 . 1 . . . . 45 T C . 15412 1 515 . 1 1 45 45 THR CA C 13 65.060 0.130 . 1 . . . . 45 T CA . 15412 1 516 . 1 1 45 45 THR CB C 13 69.246 0.144 . 1 . . . . 45 T CB . 15412 1 517 . 1 1 45 45 THR CG2 C 13 21.854 0.000 . 1 . . . . 45 T CG2 . 15412 1 518 . 1 1 45 45 THR N N 15 107.359 0.049 . 1 . . . . 45 T N . 15412 1 519 . 1 1 46 46 LEU H H 1 7.190 0.007 . 1 . . . . 46 L H . 15412 1 520 . 1 1 46 46 LEU HA H 1 4.113 0.014 . 1 . . . . 46 L HA . 15412 1 521 . 1 1 46 46 LEU HB2 H 1 2.430 0.879 . 1 . . . . 46 L HB2 . 15412 1 522 . 1 1 46 46 LEU HB3 H 1 2.080 1.065 . 1 . . . . 46 L HB3 . 15412 1 523 . 1 1 46 46 LEU HD11 H 1 0.827 0.020 . 1 . . . . 46 L HD1 . 15412 1 524 . 1 1 46 46 LEU HD12 H 1 0.827 0.020 . 1 . . . . 46 L HD1 . 15412 1 525 . 1 1 46 46 LEU HD13 H 1 0.827 0.020 . 1 . . . . 46 L HD1 . 15412 1 526 . 1 1 46 46 LEU HD21 H 1 0.741 0.020 . 1 . . . . 46 L HD2 . 15412 1 527 . 1 1 46 46 LEU HD22 H 1 0.741 0.020 . 1 . . . . 46 L HD2 . 15412 1 528 . 1 1 46 46 LEU HD23 H 1 0.741 0.020 . 1 . . . . 46 L HD2 . 15412 1 529 . 1 1 46 46 LEU HG H 1 1.051 0.077 . 1 . . . . 46 L HG . 15412 1 530 . 1 1 46 46 LEU C C 13 180.162 0.200 . 1 . . . . 46 L C . 15412 1 531 . 1 1 46 46 LEU CA C 13 57.006 0.019 . 1 . . . . 46 L CA . 15412 1 532 . 1 1 46 46 LEU CB C 13 42.271 0.078 . 1 . . . . 46 L CB . 15412 1 533 . 1 1 46 46 LEU CD1 C 13 25.090 0.200 . 1 . . . . 46 L CD1 . 15412 1 534 . 1 1 46 46 LEU CD2 C 13 23.527 0.200 . 1 . . . . 46 L CD2 . 15412 1 535 . 1 1 46 46 LEU CG C 13 27.294 0.049 . 1 . . . . 46 L CG . 15412 1 536 . 1 1 46 46 LEU N N 15 123.083 0.050 . 1 . . . . 46 L N . 15412 1 537 . 1 1 47 47 ASN H H 1 8.070 0.012 . 1 . . . . 47 N H . 15412 1 538 . 1 1 47 47 ASN HA H 1 4.396 0.008 . 1 . . . . 47 N HA . 15412 1 539 . 1 1 47 47 ASN HB2 H 1 2.797 0.034 . 1 . . . . 47 N HB . 15412 1 540 . 1 1 47 47 ASN HB3 H 1 2.797 0.034 . 1 . . . . 47 N HB . 15412 1 541 . 1 1 47 47 ASN C C 13 177.404 0.200 . 1 . . . . 47 N C . 15412 1 542 . 1 1 47 47 ASN CA C 13 56.017 0.100 . 1 . . . . 47 N CA . 15412 1 543 . 1 1 47 47 ASN CB C 13 38.243 0.074 . 1 . . . . 47 N CB . 15412 1 544 . 1 1 47 47 ASN N N 15 118.948 0.097 . 1 . . . . 47 N N . 15412 1 545 . 1 1 48 48 ARG H H 1 7.893 0.008 . 1 . . . . 48 R H . 15412 1 546 . 1 1 48 48 ARG HA H 1 4.264 0.007 . 1 . . . . 48 R HA . 15412 1 547 . 1 1 48 48 ARG HB2 H 1 1.969 0.007 . 1 . . . . 48 R HB2 . 15412 1 548 . 1 1 48 48 ARG HB3 H 1 1.618 0.049 . 1 . . . . 48 R HB3 . 15412 1 549 . 1 1 48 48 ARG HD2 H 1 3.066 0.020 . 1 . . . . 48 R HD2 . 15412 1 550 . 1 1 48 48 ARG HD3 H 1 2.999 0.008 . 1 . . . . 48 R HD3 . 15412 1 551 . 1 1 48 48 ARG HG2 H 1 1.778 0.020 . 1 . . . . 48 R HG2 . 15412 1 552 . 1 1 48 48 ARG HG3 H 1 1.644 0.020 . 1 . . . . 48 R HG3 . 15412 1 553 . 1 1 48 48 ARG C C 13 176.395 0.200 . 1 . . . . 48 R C . 15412 1 554 . 1 1 48 48 ARG CA C 13 56.260 0.066 . 1 . . . . 48 R CA . 15412 1 555 . 1 1 48 48 ARG CB C 13 31.683 0.081 . 1 . . . . 48 R CB . 15412 1 556 . 1 1 48 48 ARG CD C 13 43.603 0.048 . 1 . . . . 48 R CD . 15412 1 557 . 1 1 48 48 ARG CG C 13 27.879 0.002 . 1 . . . . 48 R CG . 15412 1 558 . 1 1 48 48 ARG N N 15 115.987 0.034 . 1 . . . . 48 R N . 15412 1 559 . 1 1 49 49 GLY H H 1 7.504 0.010 . 1 . . . . 49 G H . 15412 1 560 . 1 1 49 49 GLY HA2 H 1 4.017 0.000 . 1 . . . . 49 G HA2 . 15412 1 561 . 1 1 49 49 GLY HA3 H 1 3.954 0.008 . 1 . . . . 49 G HA3 . 15412 1 562 . 1 1 49 49 GLY C C 13 175.940 0.200 . 1 . . . . 49 G C . 15412 1 563 . 1 1 49 49 GLY CA C 13 46.821 0.087 . 1 . . . . 49 G CA . 15412 1 564 . 1 1 49 49 GLY N N 15 108.249 0.052 . 1 . . . . 49 G N . 15412 1 565 . 1 1 50 50 ILE H H 1 7.716 0.005 . 1 . . . . 50 I H . 15412 1 566 . 1 1 50 50 ILE HA H 1 4.614 0.009 . 1 . . . . 50 I HA . 15412 1 567 . 1 1 50 50 ILE HB H 1 2.413 0.008 . 1 . . . . 50 I HB . 15412 1 568 . 1 1 50 50 ILE HD11 H 1 0.409 0.008 . 1 . . . . 50 I HD1 . 15412 1 569 . 1 1 50 50 ILE HD12 H 1 0.409 0.008 . 1 . . . . 50 I HD1 . 15412 1 570 . 1 1 50 50 ILE HD13 H 1 0.409 0.008 . 1 . . . . 50 I HD1 . 15412 1 571 . 1 1 50 50 ILE HG12 H 1 0.834 0.011 . 1 . . . . 50 I HG12 . 15412 1 572 . 1 1 50 50 ILE HG13 H 1 0.721 0.029 . 1 . . . . 50 I HG13 . 15412 1 573 . 1 1 50 50 ILE HG21 H 1 0.925 0.004 . 1 . . . . 50 I HG2 . 15412 1 574 . 1 1 50 50 ILE HG22 H 1 0.925 0.004 . 1 . . . . 50 I HG2 . 15412 1 575 . 1 1 50 50 ILE HG23 H 1 0.925 0.004 . 1 . . . . 50 I HG2 . 15412 1 576 . 1 1 50 50 ILE C C 13 176.550 0.200 . 1 . . . . 50 I C . 15412 1 577 . 1 1 50 50 ILE CA C 13 60.292 0.094 . 1 . . . . 50 I CA . 15412 1 578 . 1 1 50 50 ILE CB C 13 38.560 0.109 . 1 . . . . 50 I CB . 15412 1 579 . 1 1 50 50 ILE CD1 C 13 12.669 0.152 . 1 . . . . 50 I CD1 . 15412 1 580 . 1 1 50 50 ILE CG1 C 13 26.955 0.034 . 1 . . . . 50 I CG1 . 15412 1 581 . 1 1 50 50 ILE N N 15 109.477 0.030 . 1 . . . . 50 I N . 15412 1 582 . 1 1 51 51 SER H H 1 7.929 0.006 . 1 . . . . 51 S H . 15412 1 583 . 1 1 51 51 SER HA H 1 4.302 0.010 . 1 . . . . 51 S HA . 15412 1 584 . 1 1 51 51 SER HB2 H 1 3.400 0.012 . 1 . . . . 51 S HB2 . 15412 1 585 . 1 1 51 51 SER HB3 H 1 3.314 0.015 . 1 . . . . 51 S HB3 . 15412 1 586 . 1 1 51 51 SER C C 13 176.729 0.200 . 1 . . . . 51 S C . 15412 1 587 . 1 1 51 51 SER CA C 13 57.721 0.231 . 1 . . . . 51 S CA . 15412 1 588 . 1 1 51 51 SER CB C 13 64.737 0.241 . 1 . . . . 51 S CB . 15412 1 589 . 1 1 51 51 SER N N 15 115.936 0.083 . 1 . . . . 51 S N . 15412 1 590 . 1 1 52 52 GLU H H 1 9.669 0.005 . 1 . . . . 52 E H . 15412 1 591 . 1 1 52 52 GLU HA H 1 4.246 0.014 . 1 . . . . 52 E HA . 15412 1 592 . 1 1 52 52 GLU HB2 H 1 1.815 0.024 . 1 . . . . 52 E HB2 . 15412 1 593 . 1 1 52 52 GLU HB3 H 1 1.392 0.052 . 1 . . . . 52 E HB3 . 15412 1 594 . 1 1 52 52 GLU HG2 H 1 2.634 0.020 . 1 . . . . 52 E HG2 . 15412 1 595 . 1 1 52 52 GLU HG3 H 1 2.550 0.020 . 1 . . . . 52 E HG3 . 15412 1 596 . 1 1 52 52 GLU C C 13 177.217 0.200 . 1 . . . . 52 E C . 15412 1 597 . 1 1 52 52 GLU CA C 13 57.988 0.158 . 1 . . . . 52 E CA . 15412 1 598 . 1 1 52 52 GLU CB C 13 30.661 0.143 . 1 . . . . 52 E CB . 15412 1 599 . 1 1 52 52 GLU CG C 13 34.931 0.200 . 1 . . . . 52 E CG . 15412 1 600 . 1 1 52 52 GLU N N 15 127.641 0.042 . 1 . . . . 52 E N . 15412 1 601 . 1 1 53 53 PHE H H 1 6.833 0.010 . 1 . . . . 53 F H . 15412 1 602 . 1 1 53 53 PHE HA H 1 4.712 0.028 . 1 . . . . 53 F HA . 15412 1 603 . 1 1 53 53 PHE HB2 H 1 3.409 0.017 . 1 . . . . 53 F HB2 . 15412 1 604 . 1 1 53 53 PHE HB3 H 1 2.651 0.022 . 1 . . . . 53 F HB3 . 15412 1 605 . 1 1 53 53 PHE HD1 H 1 6.652 0.020 . 3 . . . . 53 F HD1 . 15412 1 606 . 1 1 53 53 PHE HE1 H 1 6.831 0.020 . 3 . . . . 53 F HE1 . 15412 1 607 . 1 1 53 53 PHE C C 13 179.838 0.200 . 1 . . . . 53 F C . 15412 1 608 . 1 1 53 53 PHE CA C 13 56.726 0.126 . 1 . . . . 53 F CA . 15412 1 609 . 1 1 53 53 PHE CB C 13 39.882 0.256 . 1 . . . . 53 F CB . 15412 1 610 . 1 1 53 53 PHE CD1 C 13 130.984 0.200 . 3 . . . . 53 F CD1 . 15412 1 611 . 1 1 53 53 PHE CE1 C 13 128.102 0.200 . 3 . . . . 53 F CE1 . 15412 1 612 . 1 1 53 53 PHE N N 15 106.833 0.057 . 1 . . . . 53 F N . 15412 1 613 . 1 1 54 54 ILE H H 1 7.830 0.008 . 1 . . . . 54 I H . 15412 1 614 . 1 1 54 54 ILE HA H 1 4.577 0.125 . 1 . . . . 54 I HA . 15412 1 615 . 1 1 54 54 ILE HB H 1 2.136 0.093 . 1 . . . . 54 I HB . 15412 1 616 . 1 1 54 54 ILE HD11 H 1 0.512 0.020 . 1 . . . . 54 I HD1 . 15412 1 617 . 1 1 54 54 ILE HD12 H 1 0.512 0.020 . 1 . . . . 54 I HD1 . 15412 1 618 . 1 1 54 54 ILE HD13 H 1 0.512 0.020 . 1 . . . . 54 I HD1 . 15412 1 619 . 1 1 54 54 ILE HG12 H 1 0.979 0.020 . 1 . . . . 54 I HG12 . 15412 1 620 . 1 1 54 54 ILE HG13 H 1 0.901 0.020 . 1 . . . . 54 I HG13 . 15412 1 621 . 1 1 54 54 ILE HG21 H 1 0.576 0.020 . 1 . . . . 54 I HG2 . 15412 1 622 . 1 1 54 54 ILE HG22 H 1 0.576 0.020 . 1 . . . . 54 I HG2 . 15412 1 623 . 1 1 54 54 ILE HG23 H 1 0.576 0.020 . 1 . . . . 54 I HG2 . 15412 1 624 . 1 1 54 54 ILE C C 13 174.104 0.200 . 1 . . . . 54 I C . 15412 1 625 . 1 1 54 54 ILE CA C 13 57.022 0.060 . 1 . . . . 54 I CA . 15412 1 626 . 1 1 54 54 ILE CB C 13 39.450 0.201 . 1 . . . . 54 I CB . 15412 1 627 . 1 1 54 54 ILE CD1 C 13 16.691 0.200 . 1 . . . . 54 I CD1 . 15412 1 628 . 1 1 54 54 ILE CG1 C 13 27.506 0.200 . 1 . . . . 54 I CG1 . 15412 1 629 . 1 1 54 54 ILE CG2 C 13 21.857 0.200 . 1 . . . . 54 I CG2 . 15412 1 630 . 1 1 54 54 ILE N N 15 118.744 0.099 . 1 . . . . 54 I N . 15412 1 631 . 1 1 55 55 ILE H H 1 8.627 0.016 . 1 . . . . 55 I H . 15412 1 632 . 1 1 55 55 ILE HA H 1 4.751 0.003 . 1 . . . . 55 I HA . 15412 1 633 . 1 1 55 55 ILE HB H 1 1.333 0.008 . 1 . . . . 55 I HB . 15412 1 634 . 1 1 55 55 ILE HD11 H 1 0.492 0.011 . 1 . . . . 55 I HD1 . 15412 1 635 . 1 1 55 55 ILE HD12 H 1 0.492 0.011 . 1 . . . . 55 I HD1 . 15412 1 636 . 1 1 55 55 ILE HD13 H 1 0.492 0.011 . 1 . . . . 55 I HD1 . 15412 1 637 . 1 1 55 55 ILE HG12 H 1 1.262 0.013 . 1 . . . . 55 I HG12 . 15412 1 638 . 1 1 55 55 ILE HG13 H 1 0.865 0.015 . 1 . . . . 55 I HG13 . 15412 1 639 . 1 1 55 55 ILE HG21 H 1 0.737 0.010 . 1 . . . . 55 I HG2 . 15412 1 640 . 1 1 55 55 ILE HG22 H 1 0.737 0.010 . 1 . . . . 55 I HG2 . 15412 1 641 . 1 1 55 55 ILE HG23 H 1 0.737 0.010 . 1 . . . . 55 I HG2 . 15412 1 642 . 1 1 55 55 ILE C C 13 175.102 0.200 . 1 . . . . 55 I C . 15412 1 643 . 1 1 55 55 ILE CA C 13 59.581 0.094 . 1 . . . . 55 I CA . 15412 1 644 . 1 1 55 55 ILE CB C 13 41.423 0.056 . 1 . . . . 55 I CB . 15412 1 645 . 1 1 55 55 ILE CD1 C 13 16.486 0.082 . 1 . . . . 55 I CD1 . 15412 1 646 . 1 1 55 55 ILE CG1 C 13 28.681 0.063 . 1 . . . . 55 I CG1 . 15412 1 647 . 1 1 55 55 ILE N N 15 124.218 0.065 . 1 . . . . 55 I N . 15412 1 648 . 1 1 56 56 MET H H 1 8.524 0.014 . 1 . . . . 56 M H . 15412 1 649 . 1 1 56 56 MET HA H 1 4.813 0.003 . 1 . . . . 56 M HA . 15412 1 650 . 1 1 56 56 MET HB2 H 1 1.716 0.004 . 1 . . . . 56 M HB2 . 15412 1 651 . 1 1 56 56 MET C C 13 173.703 0.200 . 1 . . . . 56 M C . 15412 1 652 . 1 1 56 56 MET CA C 13 53.365 0.170 . 1 . . . . 56 M CA . 15412 1 653 . 1 1 56 56 MET CB C 13 37.932 0.114 . 1 . . . . 56 M CB . 15412 1 654 . 1 1 56 56 MET CG C 13 32.637 0.200 . 1 . . . . 56 M CG . 15412 1 655 . 1 1 56 56 MET N N 15 124.203 0.046 . 1 . . . . 56 M N . 15412 1 656 . 1 1 57 57 ALA H H 1 8.103 0.009 . 1 . . . . 57 A H . 15412 1 657 . 1 1 57 57 ALA HA H 1 4.787 0.002 . 1 . . . . 57 A HA . 15412 1 658 . 1 1 57 57 ALA HB1 H 1 1.406 0.008 . 1 . . . . 57 A HB . 15412 1 659 . 1 1 57 57 ALA HB2 H 1 1.406 0.008 . 1 . . . . 57 A HB . 15412 1 660 . 1 1 57 57 ALA HB3 H 1 1.406 0.008 . 1 . . . . 57 A HB . 15412 1 661 . 1 1 57 57 ALA C C 13 177.021 0.200 . 1 . . . . 57 A C . 15412 1 662 . 1 1 57 57 ALA CA C 13 50.542 0.102 . 1 . . . . 57 A CA . 15412 1 663 . 1 1 57 57 ALA CB C 13 20.599 0.197 . 1 . . . . 57 A CB . 15412 1 664 . 1 1 57 57 ALA N N 15 122.816 0.057 . 1 . . . . 57 A N . 15412 1 665 . 1 1 58 58 ALA H H 1 9.537 0.006 . 1 . . . . 58 A H . 15412 1 666 . 1 1 58 58 ALA HA H 1 4.011 0.009 . 1 . . . . 58 A HA . 15412 1 667 . 1 1 58 58 ALA HB1 H 1 1.305 0.007 . 1 . . . . 58 A HB . 15412 1 668 . 1 1 58 58 ALA HB2 H 1 1.305 0.007 . 1 . . . . 58 A HB . 15412 1 669 . 1 1 58 58 ALA HB3 H 1 1.305 0.007 . 1 . . . . 58 A HB . 15412 1 670 . 1 1 58 58 ALA C C 13 176.474 0.200 . 1 . . . . 58 A C . 15412 1 671 . 1 1 58 58 ALA CA C 13 53.760 0.065 . 1 . . . . 58 A CA . 15412 1 672 . 1 1 58 58 ALA CB C 13 20.328 0.129 . 1 . . . . 58 A CB . 15412 1 673 . 1 1 58 58 ALA N N 15 122.747 0.030 . 1 . . . . 58 A N . 15412 1 674 . 1 1 59 59 ASP H H 1 7.940 0.006 . 1 . . . . 59 D H . 15412 1 675 . 1 1 59 59 ASP HA H 1 4.461 0.071 . 1 . . . . 59 D HA . 15412 1 676 . 1 1 59 59 ASP HB2 H 1 3.118 0.041 . 1 . . . . 59 D HB2 . 15412 1 677 . 1 1 59 59 ASP HB3 H 1 2.667 0.136 . 1 . . . . 59 D HB3 . 15412 1 678 . 1 1 59 59 ASP C C 13 176.076 0.200 . 1 . . . . 59 D C . 15412 1 679 . 1 1 59 59 ASP CA C 13 52.360 0.154 . 1 . . . . 59 D CA . 15412 1 680 . 1 1 59 59 ASP CB C 13 38.911 0.192 . 1 . . . . 59 D CB . 15412 1 681 . 1 1 59 59 ASP N N 15 113.534 0.038 . 1 . . . . 59 D N . 15412 1 682 . 1 1 60 60 CYS H H 1 6.990 0.009 . 1 . . . . 60 C H . 15412 1 683 . 1 1 60 60 CYS HA H 1 3.936 0.009 . 1 . . . . 60 C HA . 15412 1 684 . 1 1 60 60 CYS HB2 H 1 2.963 0.008 . 1 . . . . 60 C HB2 . 15412 1 685 . 1 1 60 60 CYS HB3 H 1 2.666 0.011 . 1 . . . . 60 C HB3 . 15412 1 686 . 1 1 60 60 CYS C C 13 173.062 0.200 . 1 . . . . 60 C C . 15412 1 687 . 1 1 60 60 CYS CA C 13 60.422 0.031 . 1 . . . . 60 C CA . 15412 1 688 . 1 1 60 60 CYS CB C 13 28.140 0.054 . 1 . . . . 60 C CB . 15412 1 689 . 1 1 60 60 CYS N N 15 118.422 0.052 . 1 . . . . 60 C N . 15412 1 690 . 1 1 61 61 GLU H H 1 8.242 0.006 . 1 . . . . 61 E H . 15412 1 691 . 1 1 61 61 GLU HA H 1 4.352 0.020 . 1 . . . . 61 E HA . 15412 1 692 . 1 1 61 61 GLU HB2 H 1 1.872 0.020 . 1 . . . . 61 E HB2 . 15412 1 693 . 1 1 61 61 GLU HB3 H 1 1.836 0.020 . 1 . . . . 61 E HB3 . 15412 1 694 . 1 1 61 61 GLU HG2 H 1 2.126 0.020 . 2 . . . . 61 E HG . 15412 1 695 . 1 1 61 61 GLU HG3 H 1 2.126 0.020 . 2 . . . . 61 E HG . 15412 1 696 . 1 1 61 61 GLU CA C 13 52.118 0.149 . 1 . . . . 61 E CA . 15412 1 697 . 1 1 61 61 GLU CB C 13 32.742 0.050 . 1 . . . . 61 E CB . 15412 1 698 . 1 1 61 61 GLU CG C 13 39.145 0.200 . 1 . . . . 61 E CG . 15412 1 699 . 1 1 61 61 GLU N N 15 130.137 0.063 . 1 . . . . 61 E N . 15412 1 700 . 1 1 62 62 PRO HA H 1 4.964 0.011 . 1 . . . . 62 P HA . 15412 1 701 . 1 1 62 62 PRO HB2 H 1 2.420 0.009 . 2 . . . . 62 P HB . 15412 1 702 . 1 1 62 62 PRO HB3 H 1 2.420 0.009 . 2 . . . . 62 P HB . 15412 1 703 . 1 1 62 62 PRO HD2 H 1 3.557 0.028 . 1 . . . . 62 P HD2 . 15412 1 704 . 1 1 62 62 PRO HD3 H 1 3.518 0.011 . 1 . . . . 62 P HD3 . 15412 1 705 . 1 1 62 62 PRO HG2 H 1 1.999 0.012 . 2 . . . . 62 P HG . 15412 1 706 . 1 1 62 62 PRO HG3 H 1 1.999 0.012 . 2 . . . . 62 P HG . 15412 1 707 . 1 1 62 62 PRO C C 13 177.653 0.200 . 1 . . . . 62 P C . 15412 1 708 . 1 1 62 62 PRO CA C 13 63.053 0.293 . 1 . . . . 62 P CA . 15412 1 709 . 1 1 62 62 PRO CB C 13 33.694 0.052 . 1 . . . . 62 P CB . 15412 1 710 . 1 1 62 62 PRO CD C 13 51.440 0.200 . 1 . . . . 62 P CD . 15412 1 711 . 1 1 62 62 PRO CG C 13 25.181 0.002 . 1 . . . . 62 P CG . 15412 1 712 . 1 1 63 63 ILE H H 1 8.949 0.007 . 1 . . . . 63 I H . 15412 1 713 . 1 1 63 63 ILE HA H 1 3.919 0.015 . 1 . . . . 63 I HA . 15412 1 714 . 1 1 63 63 ILE HB H 1 1.959 0.010 . 1 . . . . 63 I HB . 15412 1 715 . 1 1 63 63 ILE HD11 H 1 0.910 0.011 . 1 . . . . 63 I HD1 . 15412 1 716 . 1 1 63 63 ILE HD12 H 1 0.910 0.011 . 1 . . . . 63 I HD1 . 15412 1 717 . 1 1 63 63 ILE HD13 H 1 0.910 0.011 . 1 . . . . 63 I HD1 . 15412 1 718 . 1 1 63 63 ILE HG12 H 1 1.465 0.009 . 1 . . . . 63 I HG12 . 15412 1 719 . 1 1 63 63 ILE HG13 H 1 1.209 0.006 . 1 . . . . 63 I HG13 . 15412 1 720 . 1 1 63 63 ILE HG21 H 1 0.836 0.003 . 1 . . . . 63 I HG2 . 15412 1 721 . 1 1 63 63 ILE HG22 H 1 0.836 0.003 . 1 . . . . 63 I HG2 . 15412 1 722 . 1 1 63 63 ILE HG23 H 1 0.836 0.003 . 1 . . . . 63 I HG2 . 15412 1 723 . 1 1 63 63 ILE C C 13 176.525 0.200 . 1 . . . . 63 I C . 15412 1 724 . 1 1 63 63 ILE CA C 13 62.114 0.524 . 1 . . . . 63 I CA . 15412 1 725 . 1 1 63 63 ILE CB C 13 38.465 0.049 . 1 . . . . 63 I CB . 15412 1 726 . 1 1 63 63 ILE CD1 C 13 14.478 0.048 . 1 . . . . 63 I CD1 . 15412 1 727 . 1 1 63 63 ILE CG1 C 13 29.933 0.047 . 1 . . . . 63 I CG1 . 15412 1 728 . 1 1 63 63 ILE CG2 C 13 17.961 0.201 . 1 . . . . 63 I CG2 . 15412 1 729 . 1 1 63 63 ILE N N 15 124.908 0.061 . 1 . . . . 63 I N . 15412 1 730 . 1 1 64 64 GLU H H 1 8.953 0.008 . 1 . . . . 64 E H . 15412 1 731 . 1 1 64 64 GLU HA H 1 3.741 0.013 . 1 . . . . 64 E HA . 15412 1 732 . 1 1 64 64 GLU HB2 H 1 1.984 0.005 . 2 . . . . 64 E HB . 15412 1 733 . 1 1 64 64 GLU HB3 H 1 1.984 0.005 . 2 . . . . 64 E HB . 15412 1 734 . 1 1 64 64 GLU HG2 H 1 2.185 0.012 . 2 . . . . 64 E HG . 15412 1 735 . 1 1 64 64 GLU HG3 H 1 2.185 0.012 . 2 . . . . 64 E HG . 15412 1 736 . 1 1 64 64 GLU C C 13 178.312 0.200 . 1 . . . . 64 E C . 15412 1 737 . 1 1 64 64 GLU CA C 13 61.009 0.134 . 1 . . . . 64 E CA . 15412 1 738 . 1 1 64 64 GLU CB C 13 28.852 0.038 . 1 . . . . 64 E CB . 15412 1 739 . 1 1 64 64 GLU CG C 13 38.524 0.018 . 1 . . . . 64 E CG . 15412 1 740 . 1 1 64 64 GLU N N 15 119.499 0.026 . 1 . . . . 64 E N . 15412 1 741 . 1 1 65 65 ILE H H 1 7.151 0.007 . 1 . . . . 65 I H . 15412 1 742 . 1 1 65 65 ILE HA H 1 4.027 0.009 . 1 . . . . 65 I HA . 15412 1 743 . 1 1 65 65 ILE HB H 1 1.844 0.007 . 1 . . . . 65 I HB . 15412 1 744 . 1 1 65 65 ILE HD11 H 1 0.532 0.005 . 1 . . . . 65 I HD1 . 15412 1 745 . 1 1 65 65 ILE HD12 H 1 0.532 0.005 . 1 . . . . 65 I HD1 . 15412 1 746 . 1 1 65 65 ILE HD13 H 1 0.532 0.005 . 1 . . . . 65 I HD1 . 15412 1 747 . 1 1 65 65 ILE HG12 H 1 1.378 0.007 . 1 . . . . 65 I HG12 . 15412 1 748 . 1 1 65 65 ILE HG13 H 1 0.861 0.000 . 1 . . . . 65 I HG13 . 15412 1 749 . 1 1 65 65 ILE HG21 H 1 0.820 0.026 . 1 . . . . 65 I HG2 . 15412 1 750 . 1 1 65 65 ILE HG22 H 1 0.820 0.026 . 1 . . . . 65 I HG2 . 15412 1 751 . 1 1 65 65 ILE HG23 H 1 0.820 0.026 . 1 . . . . 65 I HG2 . 15412 1 752 . 1 1 65 65 ILE C C 13 177.369 0.200 . 1 . . . . 65 I C . 15412 1 753 . 1 1 65 65 ILE CA C 13 64.198 0.173 . 1 . . . . 65 I CA . 15412 1 754 . 1 1 65 65 ILE CB C 13 38.310 0.053 . 1 . . . . 65 I CB . 15412 1 755 . 1 1 65 65 ILE CD1 C 13 17.567 0.066 . 1 . . . . 65 I CD1 . 15412 1 756 . 1 1 65 65 ILE CG1 C 13 27.311 0.033 . 1 . . . . 65 I CG1 . 15412 1 757 . 1 1 65 65 ILE CG2 C 13 21.088 0.065 . 1 . . . . 65 I CG2 . 15412 1 758 . 1 1 65 65 ILE N N 15 115.087 0.055 . 1 . . . . 65 I N . 15412 1 759 . 1 1 66 66 LEU H H 1 7.900 0.008 . 1 . . . . 66 L H . 15412 1 760 . 1 1 66 66 LEU HA H 1 4.566 0.010 . 1 . . . . 66 L HA . 15412 1 761 . 1 1 66 66 LEU HB2 H 1 1.863 0.011 . 1 . . . . 66 L HB2 . 15412 1 762 . 1 1 66 66 LEU HB3 H 1 1.681 0.016 . 1 . . . . 66 L HB3 . 15412 1 763 . 1 1 66 66 LEU HD11 H 1 0.775 0.020 . 1 . . . . 66 L HD1 . 15412 1 764 . 1 1 66 66 LEU HD12 H 1 0.775 0.020 . 1 . . . . 66 L HD1 . 15412 1 765 . 1 1 66 66 LEU HD13 H 1 0.775 0.020 . 1 . . . . 66 L HD1 . 15412 1 766 . 1 1 66 66 LEU HD21 H 1 0.748 0.020 . 1 . . . . 66 L HD2 . 15412 1 767 . 1 1 66 66 LEU HD22 H 1 0.748 0.020 . 1 . . . . 66 L HD2 . 15412 1 768 . 1 1 66 66 LEU HD23 H 1 0.748 0.020 . 1 . . . . 66 L HD2 . 15412 1 769 . 1 1 66 66 LEU HG H 1 1.087 0.009 . 1 . . . . 66 L HG . 15412 1 770 . 1 1 66 66 LEU C C 13 178.928 0.200 . 1 . . . . 66 L C . 15412 1 771 . 1 1 66 66 LEU CA C 13 54.323 0.143 . 1 . . . . 66 L CA . 15412 1 772 . 1 1 66 66 LEU CB C 13 43.945 0.090 . 1 . . . . 66 L CB . 15412 1 773 . 1 1 66 66 LEU CD1 C 13 24.513 0.003 . 2 . . . . 66 L CD . 15412 1 774 . 1 1 66 66 LEU CD2 C 13 24.513 0.003 . 2 . . . . 66 L CD . 15412 1 775 . 1 1 66 66 LEU CG C 13 26.878 0.092 . 1 . . . . 66 L CG . 15412 1 776 . 1 1 66 66 LEU N N 15 115.047 0.042 . 1 . . . . 66 L N . 15412 1 777 . 1 1 67 67 LEU H H 1 7.035 0.009 . 1 . . . . 67 L H . 15412 1 778 . 1 1 67 67 LEU HA H 1 3.793 0.008 . 1 . . . . 67 L HA . 15412 1 779 . 1 1 67 67 LEU HB2 H 1 1.804 0.012 . 1 . . . . 67 L HB2 . 15412 1 780 . 1 1 67 67 LEU HB3 H 1 1.702 0.002 . 1 . . . . 67 L HB3 . 15412 1 781 . 1 1 67 67 LEU HD11 H 1 0.761 0.020 . 1 . . . . 67 L HD1 . 15412 1 782 . 1 1 67 67 LEU HD12 H 1 0.761 0.020 . 1 . . . . 67 L HD1 . 15412 1 783 . 1 1 67 67 LEU HD13 H 1 0.761 0.020 . 1 . . . . 67 L HD1 . 15412 1 784 . 1 1 67 67 LEU HD21 H 1 0.761 0.020 . 1 . . . . 67 L HD2 . 15412 1 785 . 1 1 67 67 LEU HD22 H 1 0.761 0.020 . 1 . . . . 67 L HD2 . 15412 1 786 . 1 1 67 67 LEU HD23 H 1 0.761 0.020 . 1 . . . . 67 L HD2 . 15412 1 787 . 1 1 67 67 LEU HG H 1 0.894 0.003 . 1 . . . . 67 L HG . 15412 1 788 . 1 1 67 67 LEU C C 13 177.289 0.200 . 1 . . . . 67 L C . 15412 1 789 . 1 1 67 67 LEU CA C 13 58.145 0.121 . 1 . . . . 67 L CA . 15412 1 790 . 1 1 67 67 LEU CB C 13 40.436 0.128 . 1 . . . . 67 L CB . 15412 1 791 . 1 1 67 67 LEU CD1 C 13 22.854 0.200 . 2 . . . . 67 L CD . 15412 1 792 . 1 1 67 67 LEU CD2 C 13 22.854 0.200 . 2 . . . . 67 L CD . 15412 1 793 . 1 1 67 67 LEU CG C 13 26.262 0.083 . 1 . . . . 67 L CG . 15412 1 794 . 1 1 67 67 LEU N N 15 115.525 0.050 . 1 . . . . 67 L N . 15412 1 795 . 1 1 68 68 HIS H H 1 8.629 0.013 . 1 . . . . 68 H H . 15412 1 796 . 1 1 68 68 HIS HA H 1 4.476 0.006 . 1 . . . . 68 H HA . 15412 1 797 . 1 1 68 68 HIS HB2 H 1 3.075 0.017 . 1 . . . . 68 H HB2 . 15412 1 798 . 1 1 68 68 HIS HB3 H 1 2.923 0.015 . 1 . . . . 68 H HB3 . 15412 1 799 . 1 1 68 68 HIS C C 13 175.797 0.200 . 1 . . . . 68 H C . 15412 1 800 . 1 1 68 68 HIS CA C 13 58.031 0.156 . 1 . . . . 68 H CA . 15412 1 801 . 1 1 68 68 HIS CB C 13 29.300 0.236 . 1 . . . . 68 H CB . 15412 1 802 . 1 1 68 68 HIS N N 15 116.939 0.062 . 1 . . . . 68 H N . 15412 1 803 . 1 1 69 69 LEU H H 1 7.597 0.012 . 1 . . . . 69 L H . 15412 1 804 . 1 1 69 69 LEU HA H 1 3.799 0.020 . 1 . . . . 69 L HA . 15412 1 805 . 1 1 69 69 LEU CA C 13 59.177 0.089 . 1 . . . . 69 L CA . 15412 1 806 . 1 1 69 69 LEU CB C 13 39.369 0.200 . 1 . . . . 69 L CB . 15412 1 807 . 1 1 69 69 LEU N N 15 122.355 0.060 . 1 . . . . 69 L N . 15412 1 808 . 1 1 70 70 PRO HA H 1 2.702 0.006 . 1 . . . . 70 P HA . 15412 1 809 . 1 1 70 70 PRO HB2 H 1 1.787 0.009 . 1 . . . . 70 P HB2 . 15412 1 810 . 1 1 70 70 PRO HB3 H 1 1.373 0.008 . 1 . . . . 70 P HB3 . 15412 1 811 . 1 1 70 70 PRO HG2 H 1 1.922 0.020 . 2 . . . . 70 P HG . 15412 1 812 . 1 1 70 70 PRO HG3 H 1 1.922 0.020 . 2 . . . . 70 P HG . 15412 1 813 . 1 1 70 70 PRO C C 13 177.134 0.200 . 1 . . . . 70 P C . 15412 1 814 . 1 1 70 70 PRO CA C 13 66.207 0.125 . 1 . . . . 70 P CA . 15412 1 815 . 1 1 70 70 PRO CB C 13 31.509 0.031 . 1 . . . . 70 P CB . 15412 1 816 . 1 1 70 70 PRO CD C 13 49.826 0.200 . 1 . . . . 70 P CD . 15412 1 817 . 1 1 71 71 LEU H H 1 6.005 0.015 . 1 . . . . 71 L H . 15412 1 818 . 1 1 71 71 LEU HA H 1 3.909 0.017 . 1 . . . . 71 L HA . 15412 1 819 . 1 1 71 71 LEU HB2 H 1 1.636 0.010 . 1 . . . . 71 L HB2 . 15412 1 820 . 1 1 71 71 LEU HB3 H 1 1.505 0.013 . 1 . . . . 71 L HB3 . 15412 1 821 . 1 1 71 71 LEU HD11 H 1 0.864 0.007 . 1 . . . . 71 L HD1 . 15412 1 822 . 1 1 71 71 LEU HD12 H 1 0.864 0.007 . 1 . . . . 71 L HD1 . 15412 1 823 . 1 1 71 71 LEU HD13 H 1 0.864 0.007 . 1 . . . . 71 L HD1 . 15412 1 824 . 1 1 71 71 LEU HD21 H 1 0.519 0.016 . 1 . . . . 71 L HD2 . 15412 1 825 . 1 1 71 71 LEU HD22 H 1 0.519 0.016 . 1 . . . . 71 L HD2 . 15412 1 826 . 1 1 71 71 LEU HD23 H 1 0.519 0.016 . 1 . . . . 71 L HD2 . 15412 1 827 . 1 1 71 71 LEU HG H 1 1.727 0.031 . 1 . . . . 71 L HG . 15412 1 828 . 1 1 71 71 LEU C C 13 175.749 0.200 . 1 . . . . 71 L C . 15412 1 829 . 1 1 71 71 LEU CA C 13 57.532 0.065 . 1 . . . . 71 L CA . 15412 1 830 . 1 1 71 71 LEU CB C 13 41.537 0.081 . 1 . . . . 71 L CB . 15412 1 831 . 1 1 71 71 LEU CD1 C 13 25.459 0.001 . 1 . . . . 71 L CD1 . 15412 1 832 . 1 1 71 71 LEU CD2 C 13 23.455 0.025 . 1 . . . . 71 L CD2 . 15412 1 833 . 1 1 71 71 LEU CG C 13 27.075 0.066 . 1 . . . . 71 L CG . 15412 1 834 . 1 1 71 71 LEU N N 15 112.766 0.108 . 1 . . . . 71 L N . 15412 1 835 . 1 1 72 72 LEU H H 1 7.513 0.012 . 1 . . . . 72 L H . 15412 1 836 . 1 1 72 72 LEU HA H 1 4.169 0.006 . 1 . . . . 72 L HA . 15412 1 837 . 1 1 72 72 LEU HB2 H 1 1.637 0.006 . 1 . . . . 72 L HB2 . 15412 1 838 . 1 1 72 72 LEU HB3 H 1 1.534 0.038 . 1 . . . . 72 L HB3 . 15412 1 839 . 1 1 72 72 LEU HD11 H 1 0.928 0.021 . 1 . . . . 72 L HD1 . 15412 1 840 . 1 1 72 72 LEU HD12 H 1 0.928 0.021 . 1 . . . . 72 L HD1 . 15412 1 841 . 1 1 72 72 LEU HD13 H 1 0.928 0.021 . 1 . . . . 72 L HD1 . 15412 1 842 . 1 1 72 72 LEU HD21 H 1 0.851 0.010 . 1 . . . . 72 L HD2 . 15412 1 843 . 1 1 72 72 LEU HD22 H 1 0.851 0.010 . 1 . . . . 72 L HD2 . 15412 1 844 . 1 1 72 72 LEU HD23 H 1 0.851 0.010 . 1 . . . . 72 L HD2 . 15412 1 845 . 1 1 72 72 LEU HG H 1 0.919 0.038 . 1 . . . . 72 L HG . 15412 1 846 . 1 1 72 72 LEU C C 13 179.285 0.200 . 1 . . . . 72 L C . 15412 1 847 . 1 1 72 72 LEU CA C 13 57.487 0.043 . 1 . . . . 72 L CA . 15412 1 848 . 1 1 72 72 LEU CB C 13 42.598 0.051 . 1 . . . . 72 L CB . 15412 1 849 . 1 1 72 72 LEU CD1 C 13 24.390 0.097 . 2 . . . . 72 L CD . 15412 1 850 . 1 1 72 72 LEU CD2 C 13 24.390 0.097 . 2 . . . . 72 L CD . 15412 1 851 . 1 1 72 72 LEU CG C 13 25.894 0.086 . 1 . . . . 72 L CG . 15412 1 852 . 1 1 72 72 LEU N N 15 121.672 0.080 . 1 . . . . 72 L N . 15412 1 853 . 1 1 73 73 CYS H H 1 8.523 0.013 . 1 . . . . 73 C H . 15412 1 854 . 1 1 73 73 CYS HA H 1 4.686 0.006 . 1 . . . . 73 C HA . 15412 1 855 . 1 1 73 73 CYS HB2 H 1 1.705 0.055 . 1 . . . . 73 C HB2 . 15412 1 856 . 1 1 73 73 CYS HB3 H 1 1.543 0.005 . 1 . . . . 73 C HB3 . 15412 1 857 . 1 1 73 73 CYS C C 13 178.172 0.200 . 1 . . . . 73 C C . 15412 1 858 . 1 1 73 73 CYS CA C 13 65.270 0.095 . 1 . . . . 73 C CA . 15412 1 859 . 1 1 73 73 CYS CB C 13 27.147 0.062 . 1 . . . . 73 C CB . 15412 1 860 . 1 1 73 73 CYS N N 15 116.954 0.089 . 1 . . . . 73 C N . 15412 1 861 . 1 1 74 74 GLU H H 1 8.114 0.026 . 1 . . . . 74 E H . 15412 1 862 . 1 1 74 74 GLU HA H 1 4.171 0.007 . 1 . . . . 74 E HA . 15412 1 863 . 1 1 74 74 GLU HB2 H 1 2.112 0.006 . 1 . . . . 74 E HB2 . 15412 1 864 . 1 1 74 74 GLU HB3 H 1 1.891 0.092 . 1 . . . . 74 E HB3 . 15412 1 865 . 1 1 74 74 GLU HG2 H 1 2.683 0.003 . 1 . . . . 74 E HG2 . 15412 1 866 . 1 1 74 74 GLU HG3 H 1 2.466 0.003 . 1 . . . . 74 E HG3 . 15412 1 867 . 1 1 74 74 GLU C C 13 175.413 0.200 . 1 . . . . 74 E C . 15412 1 868 . 1 1 74 74 GLU CA C 13 59.488 0.098 . 1 . . . . 74 E CA . 15412 1 869 . 1 1 74 74 GLU CB C 13 29.075 0.026 . 1 . . . . 74 E CB . 15412 1 870 . 1 1 74 74 GLU CG C 13 37.050 0.079 . 1 . . . . 74 E CG . 15412 1 871 . 1 1 74 74 GLU N N 15 119.115 0.252 . 1 . . . . 74 E N . 15412 1 872 . 1 1 75 75 ASP H H 1 7.718 0.008 . 1 . . . . 75 D H . 15412 1 873 . 1 1 75 75 ASP HA H 1 4.376 0.004 . 1 . . . . 75 D HA . 15412 1 874 . 1 1 75 75 ASP HB2 H 1 2.838 0.017 . 1 . . . . 75 D HB2 . 15412 1 875 . 1 1 75 75 ASP HB3 H 1 2.735 0.013 . 1 . . . . 75 D HB3 . 15412 1 876 . 1 1 75 75 ASP C C 13 177.942 0.200 . 1 . . . . 75 D C . 15412 1 877 . 1 1 75 75 ASP CA C 13 57.375 0.064 . 1 . . . . 75 D CA . 15412 1 878 . 1 1 75 75 ASP CB C 13 41.610 0.114 . 1 . . . . 75 D CB . 15412 1 879 . 1 1 75 75 ASP N N 15 119.740 0.033 . 1 . . . . 75 D N . 15412 1 880 . 1 1 76 76 LYS H H 1 7.734 0.005 . 1 . . . . 76 K H . 15412 1 881 . 1 1 76 76 LYS HA H 1 4.279 0.009 . 1 . . . . 76 K HA . 15412 1 882 . 1 1 76 76 LYS HB2 H 1 2.127 0.022 . 1 . . . . 76 K HB2 . 15412 1 883 . 1 1 76 76 LYS HB3 H 1 1.615 0.012 . 1 . . . . 76 K HB3 . 15412 1 884 . 1 1 76 76 LYS HD2 H 1 1.535 0.004 . 1 . . . . 76 K HD2 . 15412 1 885 . 1 1 76 76 LYS HD3 H 1 1.453 0.009 . 1 . . . . 76 K HD3 . 15412 1 886 . 1 1 76 76 LYS HE2 H 1 2.898 0.004 . 2 . . . . 76 K HE . 15412 1 887 . 1 1 76 76 LYS HE3 H 1 2.898 0.004 . 2 . . . . 76 K HE . 15412 1 888 . 1 1 76 76 LYS HG2 H 1 1.314 0.016 . 2 . . . . 76 K HG . 15412 1 889 . 1 1 76 76 LYS HG3 H 1 1.314 0.016 . 2 . . . . 76 K HG . 15412 1 890 . 1 1 76 76 LYS C C 13 179.069 0.200 . 1 . . . . 76 K C . 15412 1 891 . 1 1 76 76 LYS CA C 13 54.644 0.085 . 1 . . . . 76 K CA . 15412 1 892 . 1 1 76 76 LYS CB C 13 32.568 0.112 . 1 . . . . 76 K CB . 15412 1 893 . 1 1 76 76 LYS CD C 13 28.167 0.109 . 1 . . . . 76 K CD . 15412 1 894 . 1 1 76 76 LYS CE C 13 42.795 0.012 . 1 . . . . 76 K CE . 15412 1 895 . 1 1 76 76 LYS CG C 13 24.859 0.100 . 1 . . . . 76 K CG . 15412 1 896 . 1 1 76 76 LYS N N 15 114.884 0.075 . 1 . . . . 76 K N . 15412 1 897 . 1 1 77 77 ASN H H 1 7.924 0.010 . 1 . . . . 77 N H . 15412 1 898 . 1 1 77 77 ASN HA H 1 4.340 0.008 . 1 . . . . 77 N HA . 15412 1 899 . 1 1 77 77 ASN HB2 H 1 3.115 0.007 . 1 . . . . 77 N HB2 . 15412 1 900 . 1 1 77 77 ASN HB3 H 1 2.742 0.012 . 1 . . . . 77 N HB3 . 15412 1 901 . 1 1 77 77 ASN HD21 H 1 7.461 0.004 . 1 . . . . 77 N HD21 . 15412 1 902 . 1 1 77 77 ASN HD22 H 1 6.757 0.011 . 1 . . . . 77 N HD22 . 15412 1 903 . 1 1 77 77 ASN C C 13 174.013 0.200 . 1 . . . . 77 N C . 15412 1 904 . 1 1 77 77 ASN CA C 13 54.519 0.049 . 1 . . . . 77 N CA . 15412 1 905 . 1 1 77 77 ASN CB C 13 37.558 0.336 . 1 . . . . 77 N CB . 15412 1 906 . 1 1 77 77 ASN N N 15 117.853 0.057 . 1 . . . . 77 N N . 15412 1 907 . 1 1 77 77 ASN ND2 N 15 111.917 0.298 . 1 . . . . 77 N ND2 . 15412 1 908 . 1 1 78 78 VAL H H 1 8.379 0.006 . 1 . . . . 78 V H . 15412 1 909 . 1 1 78 78 VAL HA H 1 4.171 0.000 . 1 . . . . 78 V HA . 15412 1 910 . 1 1 78 78 VAL HB H 1 2.181 0.012 . 1 . . . . 78 V HB . 15412 1 911 . 1 1 78 78 VAL HG11 H 1 0.792 0.044 . 1 . . . . 78 V HG1 . 15412 1 912 . 1 1 78 78 VAL HG12 H 1 0.792 0.044 . 1 . . . . 78 V HG1 . 15412 1 913 . 1 1 78 78 VAL HG13 H 1 0.792 0.044 . 1 . . . . 78 V HG1 . 15412 1 914 . 1 1 78 78 VAL HG21 H 1 0.735 0.019 . 1 . . . . 78 V HG2 . 15412 1 915 . 1 1 78 78 VAL HG22 H 1 0.735 0.019 . 1 . . . . 78 V HG2 . 15412 1 916 . 1 1 78 78 VAL HG23 H 1 0.735 0.019 . 1 . . . . 78 V HG2 . 15412 1 917 . 1 1 78 78 VAL CA C 13 59.388 0.200 . 1 . . . . 78 V CA . 15412 1 918 . 1 1 78 78 VAL CB C 13 35.791 0.025 . 1 . . . . 78 V CB . 15412 1 919 . 1 1 78 78 VAL CG1 C 13 19.309 0.001 . 1 . . . . 78 V CG1 . 15412 1 920 . 1 1 78 78 VAL CG2 C 13 20.252 0.003 . 1 . . . . 78 V CG2 . 15412 1 921 . 1 1 78 78 VAL N N 15 121.654 0.049 . 1 . . . . 78 V N . 15412 1 922 . 1 1 79 79 PRO HA H 1 4.261 0.014 . 1 . . . . 79 P HA . 15412 1 923 . 1 1 79 79 PRO HB2 H 1 2.096 0.016 . 1 . . . . 79 P HB2 . 15412 1 924 . 1 1 79 79 PRO HB3 H 1 1.596 0.007 . 1 . . . . 79 P HB3 . 15412 1 925 . 1 1 79 79 PRO HD2 H 1 3.743 0.020 . 1 . . . . 79 P HD2 . 15412 1 926 . 1 1 79 79 PRO HD3 H 1 3.534 0.013 . 1 . . . . 79 P HD3 . 15412 1 927 . 1 1 79 79 PRO HG2 H 1 2.048 0.025 . 1 . . . . 79 P HG2 . 15412 1 928 . 1 1 79 79 PRO HG3 H 1 1.821 0.008 . 1 . . . . 79 P HG3 . 15412 1 929 . 1 1 79 79 PRO C C 13 173.231 0.200 . 1 . . . . 79 P C . 15412 1 930 . 1 1 79 79 PRO CA C 13 62.938 0.159 . 1 . . . . 79 P CA . 15412 1 931 . 1 1 79 79 PRO CB C 13 32.530 0.084 . 1 . . . . 79 P CB . 15412 1 932 . 1 1 79 79 PRO CD C 13 45.781 0.009 . 1 . . . . 79 P CD . 15412 1 933 . 1 1 79 79 PRO CG C 13 27.779 0.113 . 1 . . . . 79 P CG . 15412 1 934 . 1 1 80 80 TYR H H 1 6.285 0.029 . 1 . . . . 80 Y H . 15412 1 935 . 1 1 80 80 TYR HA H 1 5.724 0.007 . 1 . . . . 80 Y HA . 15412 1 936 . 1 1 80 80 TYR HB2 H 1 3.237 0.051 . 1 . . . . 80 Y HB2 . 15412 1 937 . 1 1 80 80 TYR HB3 H 1 2.227 0.015 . 1 . . . . 80 Y HB3 . 15412 1 938 . 1 1 80 80 TYR HD1 H 1 6.951 0.020 . 3 . . . . 80 Y HD1 . 15412 1 939 . 1 1 80 80 TYR HE1 H 1 6.986 0.020 . 3 . . . . 80 Y HE1 . 15412 1 940 . 1 1 80 80 TYR C C 13 171.016 0.200 . 1 . . . . 80 Y C . 15412 1 941 . 1 1 80 80 TYR CA C 13 54.163 0.095 . 1 . . . . 80 Y CA . 15412 1 942 . 1 1 80 80 TYR CB C 13 41.539 0.162 . 1 . . . . 80 Y CB . 15412 1 943 . 1 1 80 80 TYR CD1 C 13 129.136 0.200 . 3 . . . . 80 Y CD1 . 15412 1 944 . 1 1 80 80 TYR CE1 C 13 117.516 0.200 . 3 . . . . 80 Y CE1 . 15412 1 945 . 1 1 80 80 TYR N N 15 113.661 0.038 . 1 . . . . 80 Y N . 15412 1 946 . 1 1 81 81 VAL H H 1 7.843 0.012 . 1 . . . . 81 V H . 15412 1 947 . 1 1 81 81 VAL HA H 1 4.189 0.010 . 1 . . . . 81 V HA . 15412 1 948 . 1 1 81 81 VAL HB H 1 1.902 0.010 . 1 . . . . 81 V HB . 15412 1 949 . 1 1 81 81 VAL HG11 H 1 0.877 0.006 . 1 . . . . 81 V HG1 . 15412 1 950 . 1 1 81 81 VAL HG12 H 1 0.877 0.006 . 1 . . . . 81 V HG1 . 15412 1 951 . 1 1 81 81 VAL HG13 H 1 0.877 0.006 . 1 . . . . 81 V HG1 . 15412 1 952 . 1 1 81 81 VAL HG21 H 1 0.708 0.001 . 1 . . . . 81 V HG2 . 15412 1 953 . 1 1 81 81 VAL HG22 H 1 0.708 0.001 . 1 . . . . 81 V HG2 . 15412 1 954 . 1 1 81 81 VAL HG23 H 1 0.708 0.001 . 1 . . . . 81 V HG2 . 15412 1 955 . 1 1 81 81 VAL C C 13 176.499 0.200 . 1 . . . . 81 V C . 15412 1 956 . 1 1 81 81 VAL CA C 13 60.030 0.128 . 1 . . . . 81 V CA . 15412 1 957 . 1 1 81 81 VAL CB C 13 35.502 0.078 . 1 . . . . 81 V CB . 15412 1 958 . 1 1 81 81 VAL CG1 C 13 22.550 0.199 . 2 . . . . 81 V CG . 15412 1 959 . 1 1 81 81 VAL CG2 C 13 22.550 0.199 . 2 . . . . 81 V CG . 15412 1 960 . 1 1 81 81 VAL N N 15 113.253 0.076 . 1 . . . . 81 V N . 15412 1 961 . 1 1 82 82 PHE H H 1 8.525 0.013 . 1 . . . . 82 F H . 15412 1 962 . 1 1 82 82 PHE HA H 1 5.651 0.008 . 1 . . . . 82 F HA . 15412 1 963 . 1 1 82 82 PHE HB2 H 1 2.899 0.020 . 1 . . . . 82 F HB2 . 15412 1 964 . 1 1 82 82 PHE HB3 H 1 2.457 0.020 . 1 . . . . 82 F HB3 . 15412 1 965 . 1 1 82 82 PHE HD1 H 1 7.167 0.020 . 3 . . . . 82 F HD1 . 15412 1 966 . 1 1 82 82 PHE HE1 H 1 6.995 0.020 . 3 . . . . 82 F HE1 . 15412 1 967 . 1 1 82 82 PHE C C 13 175.955 0.200 . 1 . . . . 82 F C . 15412 1 968 . 1 1 82 82 PHE CA C 13 56.082 0.088 . 1 . . . . 82 F CA . 15412 1 969 . 1 1 82 82 PHE CB C 13 40.496 0.281 . 1 . . . . 82 F CB . 15412 1 970 . 1 1 82 82 PHE CD1 C 13 130.288 0.200 . 3 . . . . 82 F CD1 . 15412 1 971 . 1 1 82 82 PHE CE1 C 13 129.652 0.200 . 3 . . . . 82 F CE1 . 15412 1 972 . 1 1 82 82 PHE N N 15 121.973 0.113 . 1 . . . . 82 F N . 15412 1 973 . 1 1 83 83 VAL H H 1 9.085 0.006 . 1 . . . . 83 V H . 15412 1 974 . 1 1 83 83 VAL HA H 1 4.217 0.020 . 1 . . . . 83 V HA . 15412 1 975 . 1 1 83 83 VAL HB H 1 2.123 0.010 . 1 . . . . 83 V HB . 15412 1 976 . 1 1 83 83 VAL HG11 H 1 0.803 0.013 . 1 . . . . 83 V HG1 . 15412 1 977 . 1 1 83 83 VAL HG12 H 1 0.803 0.013 . 1 . . . . 83 V HG1 . 15412 1 978 . 1 1 83 83 VAL HG13 H 1 0.803 0.013 . 1 . . . . 83 V HG1 . 15412 1 979 . 1 1 83 83 VAL HG21 H 1 0.719 0.008 . 1 . . . . 83 V HG2 . 15412 1 980 . 1 1 83 83 VAL HG22 H 1 0.719 0.008 . 1 . . . . 83 V HG2 . 15412 1 981 . 1 1 83 83 VAL HG23 H 1 0.719 0.008 . 1 . . . . 83 V HG2 . 15412 1 982 . 1 1 83 83 VAL CA C 13 57.562 0.200 . 1 . . . . 83 V CA . 15412 1 983 . 1 1 83 83 VAL CB C 13 31.112 0.105 . 1 . . . . 83 V CB . 15412 1 984 . 1 1 83 83 VAL CG1 C 13 18.239 0.200 . 1 . . . . 83 V CG1 . 15412 1 985 . 1 1 83 83 VAL CG2 C 13 18.378 0.111 . 1 . . . . 83 V CG2 . 15412 1 986 . 1 1 83 83 VAL N N 15 113.032 0.044 . 1 . . . . 83 V N . 15412 1 987 . 1 1 84 84 PRO HA H 1 4.111 0.007 . 1 . . . . 84 P HA . 15412 1 988 . 1 1 84 84 PRO HB2 H 1 2.322 0.009 . 1 . . . . 84 P HB2 . 15412 1 989 . 1 1 84 84 PRO HB3 H 1 1.781 0.012 . 1 . . . . 84 P HB3 . 15412 1 990 . 1 1 84 84 PRO HD2 H 1 3.712 0.015 . 1 . . . . 84 P HD2 . 15412 1 991 . 1 1 84 84 PRO HD3 H 1 3.543 0.008 . 1 . . . . 84 P HD3 . 15412 1 992 . 1 1 84 84 PRO HG2 H 1 2.035 0.020 . 1 . . . . 84 P HG2 . 15412 1 993 . 1 1 84 84 PRO HG3 H 1 1.933 0.009 . 1 . . . . 84 P HG3 . 15412 1 994 . 1 1 84 84 PRO C C 13 176.904 0.200 . 1 . . . . 84 P C . 15412 1 995 . 1 1 84 84 PRO CA C 13 66.379 0.102 . 1 . . . . 84 P CA . 15412 1 996 . 1 1 84 84 PRO CB C 13 32.839 0.943 . 1 . . . . 84 P CB . 15412 1 997 . 1 1 84 84 PRO CD C 13 51.911 0.030 . 1 . . . . 84 P CD . 15412 1 998 . 1 1 84 84 PRO CG C 13 27.832 0.072 . 1 . . . . 84 P CG . 15412 1 999 . 1 1 85 85 SER H H 1 8.083 0.005 . 1 . . . . 85 S H . 15412 1 1000 . 1 1 85 85 SER HA H 1 4.436 0.022 . 1 . . . . 85 S HA . 15412 1 1001 . 1 1 85 85 SER HB2 H 1 3.829 0.012 . 2 . . . . 85 S HB . 15412 1 1002 . 1 1 85 85 SER HB3 H 1 3.829 0.012 . 2 . . . . 85 S HB . 15412 1 1003 . 1 1 85 85 SER C C 13 176.290 0.200 . 1 . . . . 85 S C . 15412 1 1004 . 1 1 85 85 SER CA C 13 54.680 0.057 . 1 . . . . 85 S CA . 15412 1 1005 . 1 1 85 85 SER CB C 13 64.379 0.156 . 1 . . . . 85 S CB . 15412 1 1006 . 1 1 85 85 SER N N 15 106.562 0.073 . 1 . . . . 85 S N . 15412 1 1007 . 1 1 86 86 ARG HA H 1 4.418 0.002 . 1 . . . . 86 R HA . 15412 1 1008 . 1 1 86 86 ARG HB2 H 1 1.455 0.020 . 2 . . . . 86 R HB . 15412 1 1009 . 1 1 86 86 ARG HB3 H 1 1.455 0.020 . 2 . . . . 86 R HB . 15412 1 1010 . 1 1 86 86 ARG HD2 H 1 2.822 0.004 . 2 . . . . 86 R HD . 15412 1 1011 . 1 1 86 86 ARG HD3 H 1 2.822 0.004 . 2 . . . . 86 R HD . 15412 1 1012 . 1 1 86 86 ARG C C 13 178.807 0.200 . 1 . . . . 86 R C . 15412 1 1013 . 1 1 86 86 ARG CA C 13 57.607 0.113 . 1 . . . . 86 R CA . 15412 1 1014 . 1 1 86 86 ARG CB C 13 28.930 0.004 . 1 . . . . 86 R CB . 15412 1 1015 . 1 1 86 86 ARG CD C 13 43.408 0.002 . 1 . . . . 86 R CD . 15412 1 1016 . 1 1 87 87 VAL H H 1 8.498 0.009 . 1 . . . . 87 V H . 15412 1 1017 . 1 1 87 87 VAL HA H 1 3.532 0.012 . 1 . . . . 87 V HA . 15412 1 1018 . 1 1 87 87 VAL HB H 1 1.698 0.007 . 1 . . . . 87 V HB . 15412 1 1019 . 1 1 87 87 VAL HG11 H 1 0.963 0.009 . 1 . . . . 87 V HG1 . 15412 1 1020 . 1 1 87 87 VAL HG12 H 1 0.963 0.009 . 1 . . . . 87 V HG1 . 15412 1 1021 . 1 1 87 87 VAL HG13 H 1 0.963 0.009 . 1 . . . . 87 V HG1 . 15412 1 1022 . 1 1 87 87 VAL HG21 H 1 0.794 0.005 . 1 . . . . 87 V HG2 . 15412 1 1023 . 1 1 87 87 VAL HG22 H 1 0.794 0.005 . 1 . . . . 87 V HG2 . 15412 1 1024 . 1 1 87 87 VAL HG23 H 1 0.794 0.005 . 1 . . . . 87 V HG2 . 15412 1 1025 . 1 1 87 87 VAL C C 13 178.411 0.200 . 1 . . . . 87 V C . 15412 1 1026 . 1 1 87 87 VAL CA C 13 67.068 0.109 . 1 . . . . 87 V CA . 15412 1 1027 . 1 1 87 87 VAL CB C 13 31.753 0.023 . 1 . . . . 87 V CB . 15412 1 1028 . 1 1 87 87 VAL CG1 C 13 23.581 0.111 . 1 . . . . 87 V CG1 . 15412 1 1029 . 1 1 87 87 VAL CG2 C 13 23.631 0.200 . 1 . . . . 87 V CG2 . 15412 1 1030 . 1 1 87 87 VAL N N 15 126.439 0.048 . 1 . . . . 87 V N . 15412 1 1031 . 1 1 88 88 ALA H H 1 7.979 0.006 . 1 . . . . 88 A H . 15412 1 1032 . 1 1 88 88 ALA HA H 1 4.306 0.020 . 1 . . . . 88 A HA . 15412 1 1033 . 1 1 88 88 ALA HB1 H 1 1.380 0.005 . 1 . . . . 88 A HB . 15412 1 1034 . 1 1 88 88 ALA HB2 H 1 1.380 0.005 . 1 . . . . 88 A HB . 15412 1 1035 . 1 1 88 88 ALA HB3 H 1 1.380 0.005 . 1 . . . . 88 A HB . 15412 1 1036 . 1 1 88 88 ALA C C 13 180.863 0.200 . 1 . . . . 88 A C . 15412 1 1037 . 1 1 88 88 ALA CA C 13 54.715 0.054 . 1 . . . . 88 A CA . 15412 1 1038 . 1 1 88 88 ALA CB C 13 18.924 0.156 . 1 . . . . 88 A CB . 15412 1 1039 . 1 1 88 88 ALA N N 15 124.061 0.081 . 1 . . . . 88 A N . 15412 1 1040 . 1 1 89 89 LEU H H 1 8.467 0.006 . 1 . . . . 89 L H . 15412 1 1041 . 1 1 89 89 LEU HA H 1 4.077 0.023 . 1 . . . . 89 L HA . 15412 1 1042 . 1 1 89 89 LEU HB2 H 1 2.256 0.015 . 1 . . . . 89 L HB2 . 15412 1 1043 . 1 1 89 89 LEU HB3 H 1 1.096 0.017 . 1 . . . . 89 L HB3 . 15412 1 1044 . 1 1 89 89 LEU HD11 H 1 0.639 0.009 . 1 . . . . 89 L HD1 . 15412 1 1045 . 1 1 89 89 LEU HD12 H 1 0.639 0.009 . 1 . . . . 89 L HD1 . 15412 1 1046 . 1 1 89 89 LEU HD13 H 1 0.639 0.009 . 1 . . . . 89 L HD1 . 15412 1 1047 . 1 1 89 89 LEU HD21 H 1 0.397 0.010 . 1 . . . . 89 L HD2 . 15412 1 1048 . 1 1 89 89 LEU HD22 H 1 0.397 0.010 . 1 . . . . 89 L HD2 . 15412 1 1049 . 1 1 89 89 LEU HD23 H 1 0.397 0.010 . 1 . . . . 89 L HD2 . 15412 1 1050 . 1 1 89 89 LEU HG H 1 1.160 0.005 . 1 . . . . 89 L HG . 15412 1 1051 . 1 1 89 89 LEU C C 13 178.742 0.200 . 1 . . . . 89 L C . 15412 1 1052 . 1 1 89 89 LEU CA C 13 57.765 0.098 . 1 . . . . 89 L CA . 15412 1 1053 . 1 1 89 89 LEU CB C 13 40.858 0.079 . 1 . . . . 89 L CB . 15412 1 1054 . 1 1 89 89 LEU CD1 C 13 24.670 0.123 . 1 . . . . 89 L CD1 . 15412 1 1055 . 1 1 89 89 LEU CD2 C 13 23.036 0.107 . 1 . . . . 89 L CD2 . 15412 1 1056 . 1 1 89 89 LEU CG C 13 27.380 0.102 . 1 . . . . 89 L CG . 15412 1 1057 . 1 1 89 89 LEU N N 15 119.520 0.048 . 1 . . . . 89 L N . 15412 1 1058 . 1 1 90 90 GLY H H 1 8.192 0.006 . 1 . . . . 90 G H . 15412 1 1059 . 1 1 90 90 GLY HA2 H 1 4.221 0.008 . 1 . . . . 90 G HA2 . 15412 1 1060 . 1 1 90 90 GLY HA3 H 1 3.473 0.003 . 1 . . . . 90 G HA3 . 15412 1 1061 . 1 1 90 90 GLY C C 13 179.840 0.200 . 1 . . . . 90 G C . 15412 1 1062 . 1 1 90 90 GLY CA C 13 48.449 0.083 . 1 . . . . 90 G CA . 15412 1 1063 . 1 1 90 90 GLY N N 15 107.792 0.045 . 1 . . . . 90 G N . 15412 1 1064 . 1 1 91 91 ARG H H 1 7.758 0.004 . 1 . . . . 91 R H . 15412 1 1065 . 1 1 91 91 ARG HA H 1 4.173 0.008 . 1 . . . . 91 R HA . 15412 1 1066 . 1 1 91 91 ARG HB2 H 1 1.844 0.008 . 2 . . . . 91 R HB . 15412 1 1067 . 1 1 91 91 ARG HB3 H 1 1.844 0.008 . 2 . . . . 91 R HB . 15412 1 1068 . 1 1 91 91 ARG HD2 H 1 3.120 0.020 . 2 . . . . 91 R HD . 15412 1 1069 . 1 1 91 91 ARG HD3 H 1 3.120 0.020 . 2 . . . . 91 R HD . 15412 1 1070 . 1 1 91 91 ARG HG2 H 1 1.707 0.045 . 1 . . . . 91 R HG2 . 15412 1 1071 . 1 1 91 91 ARG HG3 H 1 1.579 0.019 . 1 . . . . 91 R HG3 . 15412 1 1072 . 1 1 91 91 ARG C C 13 181.336 0.200 . 1 . . . . 91 R C . 15412 1 1073 . 1 1 91 91 ARG CA C 13 59.144 0.039 . 1 . . . . 91 R CA . 15412 1 1074 . 1 1 91 91 ARG CB C 13 29.666 0.088 . 1 . . . . 91 R CB . 15412 1 1075 . 1 1 91 91 ARG CD C 13 43.399 0.001 . 1 . . . . 91 R CD . 15412 1 1076 . 1 1 91 91 ARG CG C 13 27.543 0.067 . 1 . . . . 91 R CG . 15412 1 1077 . 1 1 91 91 ARG N N 15 120.422 0.036 . 1 . . . . 91 R N . 15412 1 1078 . 1 1 92 92 ALA H H 1 7.921 0.007 . 1 . . . . 92 A H . 15412 1 1079 . 1 1 92 92 ALA HA H 1 4.113 0.008 . 1 . . . . 92 A HA . 15412 1 1080 . 1 1 92 92 ALA HB1 H 1 1.568 0.009 . 1 . . . . 92 A HB . 15412 1 1081 . 1 1 92 92 ALA HB2 H 1 1.568 0.009 . 1 . . . . 92 A HB . 15412 1 1082 . 1 1 92 92 ALA HB3 H 1 1.568 0.009 . 1 . . . . 92 A HB . 15412 1 1083 . 1 1 92 92 ALA C C 13 177.776 0.200 . 1 . . . . 92 A C . 15412 1 1084 . 1 1 92 92 ALA CA C 13 55.272 0.047 . 1 . . . . 92 A CA . 15412 1 1085 . 1 1 92 92 ALA CB C 13 19.378 0.145 . 1 . . . . 92 A CB . 15412 1 1086 . 1 1 92 92 ALA N N 15 123.672 0.054 . 1 . . . . 92 A N . 15412 1 1087 . 1 1 93 93 CYS H H 1 7.542 0.006 . 1 . . . . 93 C H . 15412 1 1088 . 1 1 93 93 CYS HA H 1 3.856 0.006 . 1 . . . . 93 C HA . 15412 1 1089 . 1 1 93 93 CYS HB2 H 1 3.270 0.004 . 1 . . . . 93 C HB2 . 15412 1 1090 . 1 1 93 93 CYS HB3 H 1 2.648 0.005 . 1 . . . . 93 C HB3 . 15412 1 1091 . 1 1 93 93 CYS C C 13 174.120 0.200 . 1 . . . . 93 C C . 15412 1 1092 . 1 1 93 93 CYS CA C 13 60.832 0.031 . 1 . . . . 93 C CA . 15412 1 1093 . 1 1 93 93 CYS CB C 13 27.829 0.067 . 1 . . . . 93 C CB . 15412 1 1094 . 1 1 93 93 CYS N N 15 111.523 0.042 . 1 . . . . 93 C N . 15412 1 1095 . 1 1 94 94 GLY H H 1 7.840 0.005 . 1 . . . . 94 G H . 15412 1 1096 . 1 1 94 94 GLY HA2 H 1 4.021 0.004 . 1 . . . . 94 G HA2 . 15412 1 1097 . 1 1 94 94 GLY HA3 H 1 3.755 0.007 . 1 . . . . 94 G HA3 . 15412 1 1098 . 1 1 94 94 GLY C C 13 174.779 0.200 . 1 . . . . 94 G C . 15412 1 1099 . 1 1 94 94 GLY CA C 13 45.732 0.063 . 1 . . . . 94 G CA . 15412 1 1100 . 1 1 94 94 GLY N N 15 106.875 0.033 . 1 . . . . 94 G N . 15412 1 1101 . 1 1 95 95 VAL H H 1 7.585 0.005 . 1 . . . . 95 V H . 15412 1 1102 . 1 1 95 95 VAL HA H 1 4.759 0.020 . 1 . . . . 95 V HA . 15412 1 1103 . 1 1 95 95 VAL HB H 1 2.186 0.020 . 1 . . . . 95 V HB . 15412 1 1104 . 1 1 95 95 VAL HG11 H 1 0.707 0.020 . 1 . . . . 95 V HG1 . 15412 1 1105 . 1 1 95 95 VAL HG12 H 1 0.707 0.020 . 1 . . . . 95 V HG1 . 15412 1 1106 . 1 1 95 95 VAL HG13 H 1 0.707 0.020 . 1 . . . . 95 V HG1 . 15412 1 1107 . 1 1 95 95 VAL HG21 H 1 0.739 0.020 . 1 . . . . 95 V HG2 . 15412 1 1108 . 1 1 95 95 VAL HG22 H 1 0.739 0.020 . 1 . . . . 95 V HG2 . 15412 1 1109 . 1 1 95 95 VAL HG23 H 1 0.739 0.020 . 1 . . . . 95 V HG2 . 15412 1 1110 . 1 1 95 95 VAL C C 13 177.510 0.200 . 1 . . . . 95 V C . 15412 1 1111 . 1 1 95 95 VAL CA C 13 59.034 0.122 . 1 . . . . 95 V CA . 15412 1 1112 . 1 1 95 95 VAL CB C 13 34.938 0.067 . 1 . . . . 95 V CB . 15412 1 1113 . 1 1 95 95 VAL CG1 C 13 22.336 0.020 . 1 . . . . 95 V CG1 . 15412 1 1114 . 1 1 95 95 VAL CG2 C 13 21.486 0.059 . 1 . . . . 95 V CG2 . 15412 1 1115 . 1 1 95 95 VAL N N 15 111.533 0.026 . 1 . . . . 95 V N . 15412 1 1116 . 1 1 96 96 SER H H 1 8.420 0.035 . 1 . . . . 96 S H . 15412 1 1117 . 1 1 96 96 SER HA H 1 4.407 0.002 . 1 . . . . 96 S HA . 15412 1 1118 . 1 1 96 96 SER HB2 H 1 3.883 0.007 . 1 . . . . 96 S HB2 . 15412 1 1119 . 1 1 96 96 SER HB3 H 1 3.840 0.018 . 1 . . . . 96 S HB3 . 15412 1 1120 . 1 1 96 96 SER C C 13 173.691 0.200 . 1 . . . . 96 S C . 15412 1 1121 . 1 1 96 96 SER CA C 13 57.429 0.137 . 1 . . . . 96 S CA . 15412 1 1122 . 1 1 96 96 SER CB C 13 62.974 0.240 . 1 . . . . 96 S CB . 15412 1 1123 . 1 1 96 96 SER N N 15 116.267 0.040 . 1 . . . . 96 S N . 15412 1 1124 . 1 1 97 97 ARG H H 1 7.036 0.006 . 1 . . . . 97 R H . 15412 1 1125 . 1 1 97 97 ARG HA H 1 4.165 0.003 . 1 . . . . 97 R HA . 15412 1 1126 . 1 1 97 97 ARG HB2 H 1 1.838 0.003 . 2 . . . . 97 R HB . 15412 1 1127 . 1 1 97 97 ARG HB3 H 1 1.838 0.003 . 2 . . . . 97 R HB . 15412 1 1128 . 1 1 97 97 ARG HD2 H 1 3.114 0.004 . 2 . . . . 97 R HD . 15412 1 1129 . 1 1 97 97 ARG HD3 H 1 3.114 0.004 . 2 . . . . 97 R HD . 15412 1 1130 . 1 1 97 97 ARG HG2 H 1 1.665 0.003 . 1 . . . . 97 R HG2 . 15412 1 1131 . 1 1 97 97 ARG HG3 H 1 1.560 0.001 . 1 . . . . 97 R HG3 . 15412 1 1132 . 1 1 97 97 ARG CA C 13 52.785 0.200 . 1 . . . . 97 R CA . 15412 1 1133 . 1 1 97 97 ARG CB C 13 30.055 0.232 . 1 . . . . 97 R CB . 15412 1 1134 . 1 1 97 97 ARG CD C 13 43.266 0.116 . 1 . . . . 97 R CD . 15412 1 1135 . 1 1 97 97 ARG CG C 13 27.112 0.026 . 1 . . . . 97 R CG . 15412 1 1136 . 1 1 97 97 ARG N N 15 118.382 0.054 . 1 . . . . 97 R N . 15412 1 1137 . 1 1 98 98 PRO HA H 1 4.250 0.031 . 1 . . . . 98 P HA . 15412 1 1138 . 1 1 98 98 PRO HB2 H 1 1.621 0.005 . 2 . . . . 98 P HB . 15412 1 1139 . 1 1 98 98 PRO HB3 H 1 1.621 0.005 . 2 . . . . 98 P HB . 15412 1 1140 . 1 1 98 98 PRO C C 13 175.737 0.200 . 1 . . . . 98 P C . 15412 1 1141 . 1 1 98 98 PRO CA C 13 62.735 0.252 . 1 . . . . 98 P CA . 15412 1 1142 . 1 1 98 98 PRO CB C 13 32.370 0.070 . 1 . . . . 98 P CB . 15412 1 1143 . 1 1 98 98 PRO CG C 13 27.769 0.200 . 1 . . . . 98 P CG . 15412 1 1144 . 1 1 99 99 VAL H H 1 7.547 0.008 . 1 . . . . 99 V H . 15412 1 1145 . 1 1 99 99 VAL HA H 1 4.388 0.011 . 1 . . . . 99 V HA . 15412 1 1146 . 1 1 99 99 VAL HB H 1 1.294 0.007 . 1 . . . . 99 V HB . 15412 1 1147 . 1 1 99 99 VAL HG11 H 1 0.862 0.012 . 2 . . . . 99 V HG . 15412 1 1148 . 1 1 99 99 VAL HG12 H 1 0.862 0.012 . 2 . . . . 99 V HG . 15412 1 1149 . 1 1 99 99 VAL HG13 H 1 0.862 0.012 . 2 . . . . 99 V HG . 15412 1 1150 . 1 1 99 99 VAL HG21 H 1 0.862 0.012 . 2 . . . . 99 V HG . 15412 1 1151 . 1 1 99 99 VAL HG22 H 1 0.862 0.012 . 2 . . . . 99 V HG . 15412 1 1152 . 1 1 99 99 VAL HG23 H 1 0.862 0.012 . 2 . . . . 99 V HG . 15412 1 1153 . 1 1 99 99 VAL C C 13 174.592 0.200 . 1 . . . . 99 V C . 15412 1 1154 . 1 1 99 99 VAL CA C 13 61.240 0.125 . 1 . . . . 99 V CA . 15412 1 1155 . 1 1 99 99 VAL CB C 13 36.527 0.056 . 1 . . . . 99 V CB . 15412 1 1156 . 1 1 99 99 VAL CG1 C 13 23.770 0.001 . 2 . . . . 99 V CG . 15412 1 1157 . 1 1 99 99 VAL CG2 C 13 23.770 0.001 . 2 . . . . 99 V CG . 15412 1 1158 . 1 1 99 99 VAL N N 15 122.312 0.050 . 1 . . . . 99 V N . 15412 1 1159 . 1 1 100 100 ILE H H 1 8.442 0.006 . 1 . . . . 100 I H . 15412 1 1160 . 1 1 100 100 ILE HA H 1 4.450 0.014 . 1 . . . . 100 I HA . 15412 1 1161 . 1 1 100 100 ILE HB H 1 2.162 0.028 . 1 . . . . 100 I HB . 15412 1 1162 . 1 1 100 100 ILE HD11 H 1 0.984 0.008 . 1 . . . . 100 I HD1 . 15412 1 1163 . 1 1 100 100 ILE HD12 H 1 0.984 0.008 . 1 . . . . 100 I HD1 . 15412 1 1164 . 1 1 100 100 ILE HD13 H 1 0.984 0.008 . 1 . . . . 100 I HD1 . 15412 1 1165 . 1 1 100 100 ILE HG12 H 1 1.303 0.009 . 1 . . . . 100 I HG1 . 15412 1 1166 . 1 1 100 100 ILE HG13 H 1 1.303 0.009 . 1 . . . . 100 I HG1 . 15412 1 1167 . 1 1 100 100 ILE HG21 H 1 0.913 0.008 . 1 . . . . 100 I HG2 . 15412 1 1168 . 1 1 100 100 ILE HG22 H 1 0.913 0.008 . 1 . . . . 100 I HG2 . 15412 1 1169 . 1 1 100 100 ILE HG23 H 1 0.913 0.008 . 1 . . . . 100 I HG2 . 15412 1 1170 . 1 1 100 100 ILE C C 13 174.901 0.200 . 1 . . . . 100 I C . 15412 1 1171 . 1 1 100 100 ILE CA C 13 61.224 0.137 . 1 . . . . 100 I CA . 15412 1 1172 . 1 1 100 100 ILE CB C 13 39.490 0.568 . 1 . . . . 100 I CB . 15412 1 1173 . 1 1 100 100 ILE CD1 C 13 15.061 0.001 . 1 . . . . 100 I CD1 . 15412 1 1174 . 1 1 100 100 ILE CG1 C 13 25.956 0.026 . 1 . . . . 100 I CG1 . 15412 1 1175 . 1 1 100 100 ILE CG2 C 13 19.736 0.060 . 1 . . . . 100 I CG2 . 15412 1 1176 . 1 1 100 100 ILE N N 15 114.644 0.041 . 1 . . . . 100 I N . 15412 1 1177 . 1 1 101 101 ALA H H 1 6.999 0.007 . 1 . . . . 101 A H . 15412 1 1178 . 1 1 101 101 ALA HA H 1 5.120 0.006 . 1 . . . . 101 A HA . 15412 1 1179 . 1 1 101 101 ALA HB1 H 1 0.864 0.010 . 1 . . . . 101 A HB . 15412 1 1180 . 1 1 101 101 ALA HB2 H 1 0.864 0.010 . 1 . . . . 101 A HB . 15412 1 1181 . 1 1 101 101 ALA HB3 H 1 0.864 0.010 . 1 . . . . 101 A HB . 15412 1 1182 . 1 1 101 101 ALA C C 13 174.098 0.200 . 1 . . . . 101 A C . 15412 1 1183 . 1 1 101 101 ALA CA C 13 50.826 0.079 . 1 . . . . 101 A CA . 15412 1 1184 . 1 1 101 101 ALA CB C 13 21.150 0.120 . 1 . . . . 101 A CB . 15412 1 1185 . 1 1 101 101 ALA N N 15 118.992 0.043 . 1 . . . . 101 A N . 15412 1 1186 . 1 1 102 102 ALA H H 1 9.387 0.008 . 1 . . . . 102 A H . 15412 1 1187 . 1 1 102 102 ALA HA H 1 4.836 0.005 . 1 . . . . 102 A HA . 15412 1 1188 . 1 1 102 102 ALA HB1 H 1 1.092 0.008 . 1 . . . . 102 A HB . 15412 1 1189 . 1 1 102 102 ALA HB2 H 1 1.092 0.008 . 1 . . . . 102 A HB . 15412 1 1190 . 1 1 102 102 ALA HB3 H 1 1.092 0.008 . 1 . . . . 102 A HB . 15412 1 1191 . 1 1 102 102 ALA C C 13 174.087 0.200 . 1 . . . . 102 A C . 15412 1 1192 . 1 1 102 102 ALA CA C 13 50.844 0.113 . 1 . . . . 102 A CA . 15412 1 1193 . 1 1 102 102 ALA CB C 13 22.498 0.122 . 1 . . . . 102 A CB . 15412 1 1194 . 1 1 102 102 ALA N N 15 121.695 0.055 . 1 . . . . 102 A N . 15412 1 1195 . 1 1 103 103 SER H H 1 8.739 0.007 . 1 . . . . 103 S H . 15412 1 1196 . 1 1 103 103 SER HA H 1 4.952 0.012 . 1 . . . . 103 S HA . 15412 1 1197 . 1 1 103 103 SER HB2 H 1 3.413 0.006 . 1 . . . . 103 S HB2 . 15412 1 1198 . 1 1 103 103 SER HB3 H 1 3.125 0.041 . 1 . . . . 103 S HB3 . 15412 1 1199 . 1 1 103 103 SER C C 13 174.144 0.200 . 1 . . . . 103 S C . 15412 1 1200 . 1 1 103 103 SER CA C 13 54.554 0.102 . 1 . . . . 103 S CA . 15412 1 1201 . 1 1 103 103 SER CB C 13 66.112 0.183 . 1 . . . . 103 S CB . 15412 1 1202 . 1 1 103 103 SER N N 15 113.021 0.046 . 1 . . . . 103 S N . 15412 1 1203 . 1 1 104 104 ILE H H 1 7.438 0.008 . 1 . . . . 104 I H . 15412 1 1204 . 1 1 104 104 ILE HA H 1 4.691 0.012 . 1 . . . . 104 I HA . 15412 1 1205 . 1 1 104 104 ILE HB H 1 0.920 0.008 . 1 . . . . 104 I HB . 15412 1 1206 . 1 1 104 104 ILE HD11 H 1 0.399 0.010 . 1 . . . . 104 I HD1 . 15412 1 1207 . 1 1 104 104 ILE HD12 H 1 0.399 0.010 . 1 . . . . 104 I HD1 . 15412 1 1208 . 1 1 104 104 ILE HD13 H 1 0.399 0.010 . 1 . . . . 104 I HD1 . 15412 1 1209 . 1 1 104 104 ILE HG12 H 1 0.822 0.020 . 1 . . . . 104 I HG12 . 15412 1 1210 . 1 1 104 104 ILE HG13 H 1 0.703 0.020 . 1 . . . . 104 I HG13 . 15412 1 1211 . 1 1 104 104 ILE HG21 H 1 0.688 0.001 . 1 . . . . 104 I HG2 . 15412 1 1212 . 1 1 104 104 ILE HG22 H 1 0.688 0.001 . 1 . . . . 104 I HG2 . 15412 1 1213 . 1 1 104 104 ILE HG23 H 1 0.688 0.001 . 1 . . . . 104 I HG2 . 15412 1 1214 . 1 1 104 104 ILE C C 13 175.975 0.200 . 1 . . . . 104 I C . 15412 1 1215 . 1 1 104 104 ILE CA C 13 59.340 0.130 . 1 . . . . 104 I CA . 15412 1 1216 . 1 1 104 104 ILE CB C 13 36.786 0.142 . 1 . . . . 104 I CB . 15412 1 1217 . 1 1 104 104 ILE CD1 C 13 12.983 0.200 . 1 . . . . 104 I CD1 . 15412 1 1218 . 1 1 104 104 ILE CG1 C 13 28.029 0.029 . 1 . . . . 104 I CG1 . 15412 1 1219 . 1 1 104 104 ILE CG2 C 13 17.721 0.200 . 1 . . . . 104 I CG2 . 15412 1 1220 . 1 1 104 104 ILE N N 15 128.916 0.047 . 1 . . . . 104 I N . 15412 1 1221 . 1 1 105 105 THR H H 1 8.079 0.010 . 1 . . . . 105 T H . 15412 1 1222 . 1 1 105 105 THR HA H 1 5.249 0.017 . 1 . . . . 105 T HA . 15412 1 1223 . 1 1 105 105 THR HB H 1 4.360 0.006 . 1 . . . . 105 T HB . 15412 1 1224 . 1 1 105 105 THR HG21 H 1 0.904 0.004 . 1 . . . . 105 T HG2 . 15412 1 1225 . 1 1 105 105 THR HG22 H 1 0.904 0.004 . 1 . . . . 105 T HG2 . 15412 1 1226 . 1 1 105 105 THR HG23 H 1 0.904 0.004 . 1 . . . . 105 T HG2 . 15412 1 1227 . 1 1 105 105 THR C C 13 174.548 0.200 . 1 . . . . 105 T C . 15412 1 1228 . 1 1 105 105 THR CA C 13 60.437 0.095 . 1 . . . . 105 T CA . 15412 1 1229 . 1 1 105 105 THR CB C 13 70.333 0.142 . 1 . . . . 105 T CB . 15412 1 1230 . 1 1 105 105 THR CG2 C 13 20.322 1.342 . 1 . . . . 105 T CG2 . 15412 1 1231 . 1 1 105 105 THR N N 15 118.394 0.082 . 1 . . . . 105 T N . 15412 1 1232 . 1 1 106 106 THR H H 1 8.162 0.007 . 1 . . . . 106 T H . 15412 1 1233 . 1 1 106 106 THR HA H 1 4.086 0.010 . 1 . . . . 106 T HA . 15412 1 1234 . 1 1 106 106 THR HB H 1 3.844 0.010 . 1 . . . . 106 T HB . 15412 1 1235 . 1 1 106 106 THR HG21 H 1 1.072 0.011 . 1 . . . . 106 T HG2 . 15412 1 1236 . 1 1 106 106 THR HG22 H 1 1.072 0.011 . 1 . . . . 106 T HG2 . 15412 1 1237 . 1 1 106 106 THR HG23 H 1 1.072 0.011 . 1 . . . . 106 T HG2 . 15412 1 1238 . 1 1 106 106 THR C C 13 176.456 0.200 . 1 . . . . 106 T C . 15412 1 1239 . 1 1 106 106 THR CA C 13 62.550 0.137 . 1 . . . . 106 T CA . 15412 1 1240 . 1 1 106 106 THR CB C 13 70.294 0.115 . 1 . . . . 106 T CB . 15412 1 1241 . 1 1 106 106 THR CG2 C 13 21.430 0.182 . 1 . . . . 106 T CG2 . 15412 1 1242 . 1 1 106 106 THR N N 15 113.498 0.035 . 1 . . . . 106 T N . 15412 1 1243 . 1 1 107 107 ASN H H 1 8.651 0.007 . 1 . . . . 107 N H . 15412 1 1244 . 1 1 107 107 ASN HA H 1 4.559 0.007 . 1 . . . . 107 N HA . 15412 1 1245 . 1 1 107 107 ASN HB2 H 1 3.035 0.021 . 1 . . . . 107 N HB2 . 15412 1 1246 . 1 1 107 107 ASN HB3 H 1 2.561 0.033 . 1 . . . . 107 N HB3 . 15412 1 1247 . 1 1 107 107 ASN C C 13 176.202 0.200 . 1 . . . . 107 N C . 15412 1 1248 . 1 1 107 107 ASN CA C 13 54.081 0.044 . 1 . . . . 107 N CA . 15412 1 1249 . 1 1 107 107 ASN CB C 13 38.209 0.085 . 1 . . . . 107 N CB . 15412 1 1250 . 1 1 107 107 ASN N N 15 121.312 0.068 . 1 . . . . 107 N N . 15412 1 1251 . 1 1 108 108 ASP H H 1 9.391 0.004 . 1 . . . . 108 D H . 15412 1 1252 . 1 1 108 108 ASP HA H 1 4.352 0.008 . 1 . . . . 108 D HA . 15412 1 1253 . 1 1 108 108 ASP HB2 H 1 2.630 0.008 . 2 . . . . 108 D HB . 15412 1 1254 . 1 1 108 108 ASP HB3 H 1 2.630 0.008 . 2 . . . . 108 D HB . 15412 1 1255 . 1 1 108 108 ASP C C 13 175.591 0.200 . 1 . . . . 108 D C . 15412 1 1256 . 1 1 108 108 ASP CA C 13 56.986 0.078 . 1 . . . . 108 D CA . 15412 1 1257 . 1 1 108 108 ASP CB C 13 40.513 0.143 . 1 . . . . 108 D CB . 15412 1 1258 . 1 1 108 108 ASP N N 15 128.818 0.037 . 1 . . . . 108 D N . 15412 1 1259 . 1 1 109 109 ALA H H 1 7.762 0.007 . 1 . . . . 109 A H . 15412 1 1260 . 1 1 109 109 ALA HA H 1 4.056 0.197 . 1 . . . . 109 A HA . 15412 1 1261 . 1 1 109 109 ALA HB1 H 1 1.448 0.051 . 1 . . . . 109 A HB . 15412 1 1262 . 1 1 109 109 ALA HB2 H 1 1.448 0.051 . 1 . . . . 109 A HB . 15412 1 1263 . 1 1 109 109 ALA HB3 H 1 1.448 0.051 . 1 . . . . 109 A HB . 15412 1 1264 . 1 1 109 109 ALA C C 13 177.294 0.200 . 1 . . . . 109 A C . 15412 1 1265 . 1 1 109 109 ALA CA C 13 51.057 0.081 . 1 . . . . 109 A CA . 15412 1 1266 . 1 1 109 109 ALA CB C 13 19.120 0.101 . 1 . . . . 109 A CB . 15412 1 1267 . 1 1 109 109 ALA N N 15 120.047 0.066 . 1 . . . . 109 A N . 15412 1 1268 . 1 1 110 110 SER H H 1 7.191 0.009 . 1 . . . . 110 S H . 15412 1 1269 . 1 1 110 110 SER HA H 1 4.076 0.010 . 1 . . . . 110 S HA . 15412 1 1270 . 1 1 110 110 SER HB2 H 1 3.652 0.011 . 2 . . . . 110 S HB . 15412 1 1271 . 1 1 110 110 SER HB3 H 1 3.652 0.011 . 2 . . . . 110 S HB . 15412 1 1272 . 1 1 110 110 SER C C 13 177.177 0.200 . 1 . . . . 110 S C . 15412 1 1273 . 1 1 110 110 SER CA C 13 58.300 0.093 . 1 . . . . 110 S CA . 15412 1 1274 . 1 1 110 110 SER CB C 13 63.769 0.091 . 1 . . . . 110 S CB . 15412 1 1275 . 1 1 110 110 SER N N 15 113.034 0.058 . 1 . . . . 110 S N . 15412 1 1276 . 1 1 111 111 ALA H H 1 9.244 0.006 . 1 . . . . 111 A H . 15412 1 1277 . 1 1 111 111 ALA HA H 1 4.288 0.010 . 1 . . . . 111 A HA . 15412 1 1278 . 1 1 111 111 ALA HB1 H 1 1.471 0.007 . 1 . . . . 111 A HB . 15412 1 1279 . 1 1 111 111 ALA HB2 H 1 1.471 0.007 . 1 . . . . 111 A HB . 15412 1 1280 . 1 1 111 111 ALA HB3 H 1 1.471 0.007 . 1 . . . . 111 A HB . 15412 1 1281 . 1 1 111 111 ALA C C 13 179.191 0.200 . 1 . . . . 111 A C . 15412 1 1282 . 1 1 111 111 ALA CA C 13 54.175 0.051 . 1 . . . . 111 A CA . 15412 1 1283 . 1 1 111 111 ALA CB C 13 19.377 0.129 . 1 . . . . 111 A CB . 15412 1 1284 . 1 1 111 111 ALA N N 15 130.813 0.048 . 1 . . . . 111 A N . 15412 1 1285 . 1 1 112 112 ILE H H 1 7.869 0.007 . 1 . . . . 112 I H . 15412 1 1286 . 1 1 112 112 ILE HA H 1 4.930 0.019 . 1 . . . . 112 I HA . 15412 1 1287 . 1 1 112 112 ILE HB H 1 2.136 0.007 . 1 . . . . 112 I HB . 15412 1 1288 . 1 1 112 112 ILE HD11 H 1 0.589 0.010 . 1 . . . . 112 I HD1 . 15412 1 1289 . 1 1 112 112 ILE HD12 H 1 0.589 0.010 . 1 . . . . 112 I HD1 . 15412 1 1290 . 1 1 112 112 ILE HD13 H 1 0.589 0.010 . 1 . . . . 112 I HD1 . 15412 1 1291 . 1 1 112 112 ILE HG12 H 1 0.896 0.005 . 1 . . . . 112 I HG12 . 15412 1 1292 . 1 1 112 112 ILE HG13 H 1 0.779 0.002 . 1 . . . . 112 I HG13 . 15412 1 1293 . 1 1 112 112 ILE HG21 H 1 0.722 0.009 . 1 . . . . 112 I HG2 . 15412 1 1294 . 1 1 112 112 ILE HG22 H 1 0.722 0.009 . 1 . . . . 112 I HG2 . 15412 1 1295 . 1 1 112 112 ILE HG23 H 1 0.722 0.009 . 1 . . . . 112 I HG2 . 15412 1 1296 . 1 1 112 112 ILE C C 13 175.737 0.200 . 1 . . . . 112 I C . 15412 1 1297 . 1 1 112 112 ILE CA C 13 60.609 0.163 . 1 . . . . 112 I CA . 15412 1 1298 . 1 1 112 112 ILE CB C 13 38.160 0.050 . 1 . . . . 112 I CB . 15412 1 1299 . 1 1 112 112 ILE CD1 C 13 14.540 0.034 . 1 . . . . 112 I CD1 . 15412 1 1300 . 1 1 112 112 ILE CG1 C 13 25.920 0.200 . 1 . . . . 112 I CG1 . 15412 1 1301 . 1 1 112 112 ILE CG2 C 13 17.480 0.088 . 1 . . . . 112 I CG2 . 15412 1 1302 . 1 1 112 112 ILE N N 15 108.852 0.048 . 1 . . . . 112 I N . 15412 1 1303 . 1 1 113 113 LYS H H 1 7.131 0.012 . 1 . . . . 113 K H . 15412 1 1304 . 1 1 113 113 LYS HA H 1 3.751 0.007 . 1 . . . . 113 K HA . 15412 1 1305 . 1 1 113 113 LYS HB2 H 1 1.787 0.013 . 1 . . . . 113 K HB2 . 15412 1 1306 . 1 1 113 113 LYS HB3 H 1 1.678 0.016 . 1 . . . . 113 K HB3 . 15412 1 1307 . 1 1 113 113 LYS HD2 H 1 1.458 0.007 . 1 . . . . 113 K HD2 . 15412 1 1308 . 1 1 113 113 LYS HD3 H 1 1.193 0.002 . 1 . . . . 113 K HD3 . 15412 1 1309 . 1 1 113 113 LYS HE2 H 1 2.918 0.003 . 1 . . . . 113 K HE2 . 15412 1 1310 . 1 1 113 113 LYS HE3 H 1 2.743 0.012 . 1 . . . . 113 K HE3 . 15412 1 1311 . 1 1 113 113 LYS HG2 H 1 0.965 0.007 . 1 . . . . 113 K HG2 . 15412 1 1312 . 1 1 113 113 LYS HG3 H 1 0.798 0.004 . 1 . . . . 113 K HG3 . 15412 1 1313 . 1 1 113 113 LYS C C 13 177.756 0.200 . 1 . . . . 113 K C . 15412 1 1314 . 1 1 113 113 LYS CA C 13 60.813 0.137 . 1 . . . . 113 K CA . 15412 1 1315 . 1 1 113 113 LYS CB C 13 32.718 0.082 . 1 . . . . 113 K CB . 15412 1 1316 . 1 1 113 113 LYS CD C 13 29.865 0.004 . 1 . . . . 113 K CD . 15412 1 1317 . 1 1 113 113 LYS CE C 13 42.180 0.013 . 1 . . . . 113 K CE . 15412 1 1318 . 1 1 113 113 LYS CG C 13 24.703 0.075 . 1 . . . . 113 K CG . 15412 1 1319 . 1 1 113 113 LYS N N 15 123.153 0.056 . 1 . . . . 113 K N . 15412 1 1320 . 1 1 114 114 THR H H 1 8.468 0.007 . 1 . . . . 114 T H . 15412 1 1321 . 1 1 114 114 THR HA H 1 3.798 0.003 . 1 . . . . 114 T HA . 15412 1 1322 . 1 1 114 114 THR HB H 1 4.078 0.003 . 1 . . . . 114 T HB . 15412 1 1323 . 1 1 114 114 THR HG21 H 1 1.176 0.016 . 1 . . . . 114 T HG2 . 15412 1 1324 . 1 1 114 114 THR HG22 H 1 1.176 0.016 . 1 . . . . 114 T HG2 . 15412 1 1325 . 1 1 114 114 THR HG23 H 1 1.176 0.016 . 1 . . . . 114 T HG2 . 15412 1 1326 . 1 1 114 114 THR C C 13 177.129 0.200 . 1 . . . . 114 T C . 15412 1 1327 . 1 1 114 114 THR CA C 13 66.560 0.099 . 1 . . . . 114 T CA . 15412 1 1328 . 1 1 114 114 THR CB C 13 68.388 0.174 . 1 . . . . 114 T CB . 15412 1 1329 . 1 1 114 114 THR CG2 C 13 19.140 0.235 . 1 . . . . 114 T CG2 . 15412 1 1330 . 1 1 114 114 THR N N 15 111.816 0.047 . 1 . . . . 114 T N . 15412 1 1331 . 1 1 115 115 GLN H H 1 8.028 0.008 . 1 . . . . 115 Q H . 15412 1 1332 . 1 1 115 115 GLN HA H 1 4.109 0.039 . 1 . . . . 115 Q HA . 15412 1 1333 . 1 1 115 115 GLN HB2 H 1 2.068 0.014 . 1 . . . . 115 Q HB2 . 15412 1 1334 . 1 1 115 115 GLN HB3 H 1 1.985 0.011 . 1 . . . . 115 Q HB3 . 15412 1 1335 . 1 1 115 115 GLN HE21 H 1 7.513 0.006 . 1 . . . . 115 Q HE21 . 15412 1 1336 . 1 1 115 115 GLN HE22 H 1 6.876 0.006 . 1 . . . . 115 Q HE22 . 15412 1 1337 . 1 1 115 115 GLN HG2 H 1 2.494 0.026 . 1 . . . . 115 Q HG2 . 15412 1 1338 . 1 1 115 115 GLN HG3 H 1 2.359 0.010 . 1 . . . . 115 Q HG3 . 15412 1 1339 . 1 1 115 115 GLN C C 13 179.373 0.200 . 1 . . . . 115 Q C . 15412 1 1340 . 1 1 115 115 GLN CA C 13 59.765 0.128 . 1 . . . . 115 Q CA . 15412 1 1341 . 1 1 115 115 GLN CB C 13 29.002 0.581 . 1 . . . . 115 Q CB . 15412 1 1342 . 1 1 115 115 GLN CG C 13 34.907 0.046 . 1 . . . . 115 Q CG . 15412 1 1343 . 1 1 115 115 GLN N N 15 123.336 0.045 . 1 . . . . 115 Q N . 15412 1 1344 . 1 1 115 115 GLN NE2 N 15 110.429 0.239 . 1 . . . . 115 Q NE2 . 15412 1 1345 . 1 1 116 116 ILE H H 1 8.292 0.006 . 1 . . . . 116 I H . 15412 1 1346 . 1 1 116 116 ILE HA H 1 3.573 0.003 . 1 . . . . 116 I HA . 15412 1 1347 . 1 1 116 116 ILE HB H 1 1.976 0.002 . 1 . . . . 116 I HB . 15412 1 1348 . 1 1 116 116 ILE HD11 H 1 0.535 0.005 . 1 . . . . 116 I HD1 . 15412 1 1349 . 1 1 116 116 ILE HD12 H 1 0.535 0.005 . 1 . . . . 116 I HD1 . 15412 1 1350 . 1 1 116 116 ILE HD13 H 1 0.535 0.005 . 1 . . . . 116 I HD1 . 15412 1 1351 . 1 1 116 116 ILE HG12 H 1 0.879 0.020 . 1 . . . . 116 I HG12 . 15412 1 1352 . 1 1 116 116 ILE HG13 H 1 0.834 0.004 . 1 . . . . 116 I HG13 . 15412 1 1353 . 1 1 116 116 ILE HG21 H 1 0.723 0.009 . 1 . . . . 116 I HG2 . 15412 1 1354 . 1 1 116 116 ILE HG22 H 1 0.723 0.009 . 1 . . . . 116 I HG2 . 15412 1 1355 . 1 1 116 116 ILE HG23 H 1 0.723 0.009 . 1 . . . . 116 I HG2 . 15412 1 1356 . 1 1 116 116 ILE C C 13 177.884 0.200 . 1 . . . . 116 I C . 15412 1 1357 . 1 1 116 116 ILE CA C 13 66.389 0.098 . 1 . . . . 116 I CA . 15412 1 1358 . 1 1 116 116 ILE CB C 13 38.014 0.069 . 1 . . . . 116 I CB . 15412 1 1359 . 1 1 116 116 ILE CD1 C 13 16.625 0.200 . 1 . . . . 116 I CD1 . 15412 1 1360 . 1 1 116 116 ILE CG1 C 13 30.527 0.200 . 1 . . . . 116 I CG1 . 15412 1 1361 . 1 1 116 116 ILE CG2 C 13 18.928 0.221 . 1 . . . . 116 I CG2 . 15412 1 1362 . 1 1 116 116 ILE N N 15 120.597 0.063 . 1 . . . . 116 I N . 15412 1 1363 . 1 1 117 117 TYR H H 1 8.758 0.006 . 1 . . . . 117 Y H . 15412 1 1364 . 1 1 117 117 TYR HA H 1 4.144 0.009 . 1 . . . . 117 Y HA . 15412 1 1365 . 1 1 117 117 TYR HB2 H 1 3.106 0.014 . 2 . . . . 117 Y HB . 15412 1 1366 . 1 1 117 117 TYR HB3 H 1 3.106 0.014 . 2 . . . . 117 Y HB . 15412 1 1367 . 1 1 117 117 TYR HD1 H 1 7.071 0.020 . 3 . . . . 117 Y HD1 . 15412 1 1368 . 1 1 117 117 TYR HE1 H 1 7.181 0.020 . 3 . . . . 117 Y HE1 . 15412 1 1369 . 1 1 117 117 TYR HE2 H 1 7.128 0.020 . 3 . . . . 117 Y HE2 . 15412 1 1370 . 1 1 117 117 TYR C C 13 177.870 0.200 . 1 . . . . 117 Y C . 15412 1 1371 . 1 1 117 117 TYR CA C 13 60.296 0.022 . 1 . . . . 117 Y CA . 15412 1 1372 . 1 1 117 117 TYR CB C 13 36.434 0.105 . 1 . . . . 117 Y CB . 15412 1 1373 . 1 1 117 117 TYR CD1 C 13 130.244 0.200 . 3 . . . . 117 Y CD1 . 15412 1 1374 . 1 1 117 117 TYR CE1 C 13 118.789 0.200 . 3 . . . . 117 Y CE1 . 15412 1 1375 . 1 1 117 117 TYR CE2 C 13 118.715 0.200 . 3 . . . . 117 Y CE2 . 15412 1 1376 . 1 1 117 117 TYR N N 15 119.776 0.069 . 1 . . . . 117 Y N . 15412 1 1377 . 1 1 118 118 ALA H H 1 8.020 0.005 . 1 . . . . 118 A H . 15412 1 1378 . 1 1 118 118 ALA HA H 1 4.166 0.008 . 1 . . . . 118 A HA . 15412 1 1379 . 1 1 118 118 ALA HB1 H 1 1.446 0.008 . 1 . . . . 118 A HB . 15412 1 1380 . 1 1 118 118 ALA HB2 H 1 1.446 0.008 . 1 . . . . 118 A HB . 15412 1 1381 . 1 1 118 118 ALA HB3 H 1 1.446 0.008 . 1 . . . . 118 A HB . 15412 1 1382 . 1 1 118 118 ALA C C 13 180.994 0.200 . 1 . . . . 118 A C . 15412 1 1383 . 1 1 118 118 ALA CA C 13 55.093 0.051 . 1 . . . . 118 A CA . 15412 1 1384 . 1 1 118 118 ALA CB C 13 18.158 0.114 . 1 . . . . 118 A CB . 15412 1 1385 . 1 1 118 118 ALA N N 15 121.669 0.045 . 1 . . . . 118 A N . 15412 1 1386 . 1 1 119 119 VAL H H 1 7.425 0.005 . 1 . . . . 119 V H . 15412 1 1387 . 1 1 119 119 VAL HA H 1 3.488 0.009 . 1 . . . . 119 V HA . 15412 1 1388 . 1 1 119 119 VAL HB H 1 1.937 0.008 . 1 . . . . 119 V HB . 15412 1 1389 . 1 1 119 119 VAL HG11 H 1 0.877 0.010 . 1 . . . . 119 V HG1 . 15412 1 1390 . 1 1 119 119 VAL HG12 H 1 0.877 0.010 . 1 . . . . 119 V HG1 . 15412 1 1391 . 1 1 119 119 VAL HG13 H 1 0.877 0.010 . 1 . . . . 119 V HG1 . 15412 1 1392 . 1 1 119 119 VAL HG21 H 1 0.508 0.009 . 1 . . . . 119 V HG2 . 15412 1 1393 . 1 1 119 119 VAL HG22 H 1 0.508 0.009 . 1 . . . . 119 V HG2 . 15412 1 1394 . 1 1 119 119 VAL HG23 H 1 0.508 0.009 . 1 . . . . 119 V HG2 . 15412 1 1395 . 1 1 119 119 VAL C C 13 176.785 0.200 . 1 . . . . 119 V C . 15412 1 1396 . 1 1 119 119 VAL CA C 13 66.060 0.161 . 1 . . . . 119 V CA . 15412 1 1397 . 1 1 119 119 VAL CB C 13 31.409 0.081 . 1 . . . . 119 V CB . 15412 1 1398 . 1 1 119 119 VAL CG1 C 13 24.591 0.123 . 1 . . . . 119 V CG1 . 15412 1 1399 . 1 1 119 119 VAL CG2 C 13 23.171 0.057 . 1 . . . . 119 V CG2 . 15412 1 1400 . 1 1 119 119 VAL N N 15 117.352 0.048 . 1 . . . . 119 V N . 15412 1 1401 . 1 1 120 120 LYS H H 1 8.528 0.010 . 1 . . . . 120 K H . 15412 1 1402 . 1 1 120 120 LYS HA H 1 3.127 0.006 . 1 . . . . 120 K HA . 15412 1 1403 . 1 1 120 120 LYS HB2 H 1 1.904 0.009 . 1 . . . . 120 K HB2 . 15412 1 1404 . 1 1 120 120 LYS HB3 H 1 1.731 0.010 . 1 . . . . 120 K HB3 . 15412 1 1405 . 1 1 120 120 LYS HD2 H 1 1.509 0.020 . 2 . . . . 120 K HD . 15412 1 1406 . 1 1 120 120 LYS HD3 H 1 1.509 0.020 . 2 . . . . 120 K HD . 15412 1 1407 . 1 1 120 120 LYS HE2 H 1 3.044 0.006 . 2 . . . . 120 K HE . 15412 1 1408 . 1 1 120 120 LYS HE3 H 1 3.044 0.006 . 2 . . . . 120 K HE . 15412 1 1409 . 1 1 120 120 LYS HG2 H 1 1.645 0.024 . 1 . . . . 120 K HG2 . 15412 1 1410 . 1 1 120 120 LYS HG3 H 1 1.326 0.037 . 1 . . . . 120 K HG3 . 15412 1 1411 . 1 1 120 120 LYS C C 13 175.759 0.200 . 1 . . . . 120 K C . 15412 1 1412 . 1 1 120 120 LYS CA C 13 61.012 0.156 . 1 . . . . 120 K CA . 15412 1 1413 . 1 1 120 120 LYS CB C 13 33.142 0.058 . 1 . . . . 120 K CB . 15412 1 1414 . 1 1 120 120 LYS CD C 13 30.622 0.200 . 1 . . . . 120 K CD . 15412 1 1415 . 1 1 120 120 LYS CE C 13 41.614 0.249 . 1 . . . . 120 K CE . 15412 1 1416 . 1 1 120 120 LYS CG C 13 26.019 0.022 . 1 . . . . 120 K CG . 15412 1 1417 . 1 1 120 120 LYS N N 15 122.182 0.072 . 1 . . . . 120 K N . 15412 1 1418 . 1 1 121 121 ASP H H 1 7.980 0.007 . 1 . . . . 121 D H . 15412 1 1419 . 1 1 121 121 ASP HA H 1 4.249 0.007 . 1 . . . . 121 D HA . 15412 1 1420 . 1 1 121 121 ASP HB2 H 1 2.622 0.007 . 1 . . . . 121 D HB2 . 15412 1 1421 . 1 1 121 121 ASP HB3 H 1 2.559 0.005 . 1 . . . . 121 D HB3 . 15412 1 1422 . 1 1 121 121 ASP C C 13 174.148 0.200 . 1 . . . . 121 D C . 15412 1 1423 . 1 1 121 121 ASP CA C 13 57.448 0.051 . 1 . . . . 121 D CA . 15412 1 1424 . 1 1 121 121 ASP CB C 13 41.277 0.110 . 1 . . . . 121 D CB . 15412 1 1425 . 1 1 121 121 ASP N N 15 117.066 0.083 . 1 . . . . 121 D N . 15412 1 1426 . 1 1 122 122 LYS H H 1 7.094 0.006 . 1 . . . . 122 K H . 15412 1 1427 . 1 1 122 122 LYS HA H 1 3.960 0.006 . 1 . . . . 122 K HA . 15412 1 1428 . 1 1 122 122 LYS HB2 H 1 1.904 0.009 . 1 . . . . 122 K HB2 . 15412 1 1429 . 1 1 122 122 LYS HB3 H 1 1.736 0.009 . 1 . . . . 122 K HB3 . 15412 1 1430 . 1 1 122 122 LYS HD2 H 1 1.615 0.003 . 2 . . . . 122 K HD . 15412 1 1431 . 1 1 122 122 LYS HD3 H 1 1.615 0.003 . 2 . . . . 122 K HD . 15412 1 1432 . 1 1 122 122 LYS HE2 H 1 2.892 0.045 . 2 . . . . 122 K HE . 15412 1 1433 . 1 1 122 122 LYS HE3 H 1 2.892 0.045 . 2 . . . . 122 K HE . 15412 1 1434 . 1 1 122 122 LYS HG2 H 1 1.632 0.009 . 1 . . . . 122 K HG2 . 15412 1 1435 . 1 1 122 122 LYS HG3 H 1 1.442 0.015 . 1 . . . . 122 K HG3 . 15412 1 1436 . 1 1 122 122 LYS C C 13 180.153 0.200 . 1 . . . . 122 K C . 15412 1 1437 . 1 1 122 122 LYS CA C 13 59.414 0.130 . 1 . . . . 122 K CA . 15412 1 1438 . 1 1 122 122 LYS CB C 13 33.002 0.054 . 1 . . . . 122 K CB . 15412 1 1439 . 1 1 122 122 LYS CD C 13 29.331 0.031 . 1 . . . . 122 K CD . 15412 1 1440 . 1 1 122 122 LYS CE C 13 42.394 0.077 . 1 . . . . 122 K CE . 15412 1 1441 . 1 1 122 122 LYS CG C 13 25.912 0.279 . 1 . . . . 122 K CG . 15412 1 1442 . 1 1 122 122 LYS N N 15 118.565 0.017 . 1 . . . . 122 K N . 15412 1 1443 . 1 1 123 123 ILE H H 1 8.163 0.007 . 1 . . . . 123 I H . 15412 1 1444 . 1 1 123 123 ILE HA H 1 3.339 0.007 . 1 . . . . 123 I HA . 15412 1 1445 . 1 1 123 123 ILE HB H 1 1.485 0.011 . 1 . . . . 123 I HB . 15412 1 1446 . 1 1 123 123 ILE HD11 H 1 -0.106 0.008 . 1 . . . . 123 I HD1 . 15412 1 1447 . 1 1 123 123 ILE HD12 H 1 -0.106 0.008 . 1 . . . . 123 I HD1 . 15412 1 1448 . 1 1 123 123 ILE HD13 H 1 -0.106 0.008 . 1 . . . . 123 I HD1 . 15412 1 1449 . 1 1 123 123 ILE HG12 H 1 0.375 0.014 . 1 . . . . 123 I HG1 . 15412 1 1450 . 1 1 123 123 ILE HG13 H 1 0.375 0.014 . 1 . . . . 123 I HG1 . 15412 1 1451 . 1 1 123 123 ILE HG21 H 1 0.503 0.010 . 1 . . . . 123 I HG2 . 15412 1 1452 . 1 1 123 123 ILE HG22 H 1 0.503 0.010 . 1 . . . . 123 I HG2 . 15412 1 1453 . 1 1 123 123 ILE HG23 H 1 0.503 0.010 . 1 . . . . 123 I HG2 . 15412 1 1454 . 1 1 123 123 ILE C C 13 174.350 0.200 . 1 . . . . 123 I C . 15412 1 1455 . 1 1 123 123 ILE CA C 13 65.708 0.114 . 1 . . . . 123 I CA . 15412 1 1456 . 1 1 123 123 ILE CB C 13 37.780 0.030 . 1 . . . . 123 I CB . 15412 1 1457 . 1 1 123 123 ILE CD1 C 13 14.571 0.106 . 1 . . . . 123 I CD1 . 15412 1 1458 . 1 1 123 123 ILE CG1 C 13 28.808 0.221 . 1 . . . . 123 I CG1 . 15412 1 1459 . 1 1 123 123 ILE CG2 C 13 19.644 0.156 . 1 . . . . 123 I CG2 . 15412 1 1460 . 1 1 123 123 ILE N N 15 120.670 0.096 . 1 . . . . 123 I N . 15412 1 1461 . 1 1 124 124 GLU H H 1 8.553 0.019 . 1 . . . . 124 E H . 15412 1 1462 . 1 1 124 124 GLU HA H 1 3.841 0.011 . 1 . . . . 124 E HA . 15412 1 1463 . 1 1 124 124 GLU HB2 H 1 2.090 0.014 . 1 . . . . 124 E HB2 . 15412 1 1464 . 1 1 124 124 GLU HB3 H 1 1.982 0.013 . 1 . . . . 124 E HB3 . 15412 1 1465 . 1 1 124 124 GLU HG2 H 1 2.340 0.013 . 1 . . . . 124 E HG2 . 15412 1 1466 . 1 1 124 124 GLU HG3 H 1 2.124 0.021 . 1 . . . . 124 E HG3 . 15412 1 1467 . 1 1 124 124 GLU C C 13 175.925 0.200 . 1 . . . . 124 E C . 15412 1 1468 . 1 1 124 124 GLU CA C 13 60.166 0.015 . 1 . . . . 124 E CA . 15412 1 1469 . 1 1 124 124 GLU CB C 13 29.359 0.043 . 1 . . . . 124 E CB . 15412 1 1470 . 1 1 124 124 GLU CG C 13 37.606 0.106 . 1 . . . . 124 E CG . 15412 1 1471 . 1 1 124 124 GLU N N 15 119.837 0.075 . 1 . . . . 124 E N . 15412 1 1472 . 1 1 125 125 THR H H 1 7.732 0.021 . 1 . . . . 125 T H . 15412 1 1473 . 1 1 125 125 THR HA H 1 3.863 0.014 . 1 . . . . 125 T HA . 15412 1 1474 . 1 1 125 125 THR HB H 1 4.156 0.024 . 1 . . . . 125 T HB . 15412 1 1475 . 1 1 125 125 THR HG21 H 1 1.202 0.010 . 1 . . . . 125 T HG2 . 15412 1 1476 . 1 1 125 125 THR HG22 H 1 1.202 0.010 . 1 . . . . 125 T HG2 . 15412 1 1477 . 1 1 125 125 THR HG23 H 1 1.202 0.010 . 1 . . . . 125 T HG2 . 15412 1 1478 . 1 1 125 125 THR C C 13 179.139 0.200 . 1 . . . . 125 T C . 15412 1 1479 . 1 1 125 125 THR CA C 13 66.570 0.088 . 1 . . . . 125 T CA . 15412 1 1480 . 1 1 125 125 THR CB C 13 68.768 0.095 . 1 . . . . 125 T CB . 15412 1 1481 . 1 1 125 125 THR CG2 C 13 22.159 0.001 . 1 . . . . 125 T CG2 . 15412 1 1482 . 1 1 125 125 THR N N 15 114.212 0.150 . 1 . . . . 125 T N . 15412 1 1483 . 1 1 126 126 LEU H H 1 7.510 0.006 . 1 . . . . 126 L H . 15412 1 1484 . 1 1 126 126 LEU HA H 1 4.025 0.043 . 1 . . . . 126 L HA . 15412 1 1485 . 1 1 126 126 LEU HB2 H 1 1.728 0.010 . 1 . . . . 126 L HB2 . 15412 1 1486 . 1 1 126 126 LEU HB3 H 1 1.557 0.010 . 1 . . . . 126 L HB3 . 15412 1 1487 . 1 1 126 126 LEU HD11 H 1 0.784 0.010 . 1 . . . . 126 L HD1 . 15412 1 1488 . 1 1 126 126 LEU HD12 H 1 0.784 0.010 . 1 . . . . 126 L HD1 . 15412 1 1489 . 1 1 126 126 LEU HD13 H 1 0.784 0.010 . 1 . . . . 126 L HD1 . 15412 1 1490 . 1 1 126 126 LEU HD21 H 1 0.785 0.011 . 1 . . . . 126 L HD2 . 15412 1 1491 . 1 1 126 126 LEU HD22 H 1 0.785 0.011 . 1 . . . . 126 L HD2 . 15412 1 1492 . 1 1 126 126 LEU HD23 H 1 0.785 0.011 . 1 . . . . 126 L HD2 . 15412 1 1493 . 1 1 126 126 LEU HG H 1 1.647 0.013 . 1 . . . . 126 L HG . 15412 1 1494 . 1 1 126 126 LEU C C 13 175.444 0.200 . 1 . . . . 126 L C . 15412 1 1495 . 1 1 126 126 LEU CA C 13 57.641 0.106 . 1 . . . . 126 L CA . 15412 1 1496 . 1 1 126 126 LEU CB C 13 41.896 0.101 . 1 . . . . 126 L CB . 15412 1 1497 . 1 1 126 126 LEU CD1 C 13 24.798 0.081 . 1 . . . . 126 L CD1 . 15412 1 1498 . 1 1 126 126 LEU CD2 C 13 24.142 0.056 . 1 . . . . 126 L CD2 . 15412 1 1499 . 1 1 126 126 LEU CG C 13 26.428 0.022 . 1 . . . . 126 L CG . 15412 1 1500 . 1 1 126 126 LEU N N 15 121.777 0.054 . 1 . . . . 126 L N . 15412 1 1501 . 1 1 127 127 LEU H H 1 7.744 0.041 . 1 . . . . 127 L H . 15412 1 1502 . 1 1 127 127 LEU HA H 1 3.923 0.007 . 1 . . . . 127 L HA . 15412 1 1503 . 1 1 127 127 LEU HB2 H 1 1.756 0.008 . 1 . . . . 127 L HB2 . 15412 1 1504 . 1 1 127 127 LEU HB3 H 1 1.440 0.016 . 1 . . . . 127 L HB3 . 15412 1 1505 . 1 1 127 127 LEU HD11 H 1 0.514 0.010 . 2 . . . . 127 L HD . 15412 1 1506 . 1 1 127 127 LEU HD12 H 1 0.514 0.010 . 2 . . . . 127 L HD . 15412 1 1507 . 1 1 127 127 LEU HD13 H 1 0.514 0.010 . 2 . . . . 127 L HD . 15412 1 1508 . 1 1 127 127 LEU HD21 H 1 0.514 0.010 . 2 . . . . 127 L HD . 15412 1 1509 . 1 1 127 127 LEU HD22 H 1 0.514 0.010 . 2 . . . . 127 L HD . 15412 1 1510 . 1 1 127 127 LEU HD23 H 1 0.514 0.010 . 2 . . . . 127 L HD . 15412 1 1511 . 1 1 127 127 LEU HG H 1 1.924 0.016 . 1 . . . . 127 L HG . 15412 1 1512 . 1 1 127 127 LEU C C 13 178.933 0.200 . 1 . . . . 127 L C . 15412 1 1513 . 1 1 127 127 LEU CA C 13 57.372 0.095 . 1 . . . . 127 L CA . 15412 1 1514 . 1 1 127 127 LEU CB C 13 42.218 0.061 . 1 . . . . 127 L CB . 15412 1 1515 . 1 1 127 127 LEU CD1 C 13 24.042 0.055 . 2 . . . . 127 L CD . 15412 1 1516 . 1 1 127 127 LEU CD2 C 13 24.042 0.055 . 2 . . . . 127 L CD . 15412 1 1517 . 1 1 127 127 LEU CG C 13 25.873 0.081 . 1 . . . . 127 L CG . 15412 1 1518 . 1 1 127 127 LEU N N 15 118.270 0.118 . 1 . . . . 127 L N . 15412 1 1519 . 1 1 128 128 ILE H H 1 7.664 0.037 . 1 . . . . 128 I H . 15412 1 1520 . 1 1 128 128 ILE HA H 1 3.833 0.008 . 1 . . . . 128 I HA . 15412 1 1521 . 1 1 128 128 ILE HB H 1 1.908 0.008 . 1 . . . . 128 I HB . 15412 1 1522 . 1 1 128 128 ILE HD11 H 1 0.798 0.005 . 1 . . . . 128 I HD1 . 15412 1 1523 . 1 1 128 128 ILE HD12 H 1 0.798 0.005 . 1 . . . . 128 I HD1 . 15412 1 1524 . 1 1 128 128 ILE HD13 H 1 0.798 0.005 . 1 . . . . 128 I HD1 . 15412 1 1525 . 1 1 128 128 ILE HG12 H 1 1.609 0.010 . 1 . . . . 128 I HG12 . 15412 1 1526 . 1 1 128 128 ILE HG13 H 1 1.129 0.008 . 1 . . . . 128 I HG13 . 15412 1 1527 . 1 1 128 128 ILE HG21 H 1 0.862 0.015 . 1 . . . . 128 I HG2 . 15412 1 1528 . 1 1 128 128 ILE HG22 H 1 0.862 0.015 . 1 . . . . 128 I HG2 . 15412 1 1529 . 1 1 128 128 ILE HG23 H 1 0.862 0.015 . 1 . . . . 128 I HG2 . 15412 1 1530 . 1 1 128 128 ILE C C 13 178.788 0.200 . 1 . . . . 128 I C . 15412 1 1531 . 1 1 128 128 ILE CA C 13 64.042 0.191 . 1 . . . . 128 I CA . 15412 1 1532 . 1 1 128 128 ILE CB C 13 38.278 0.029 . 1 . . . . 128 I CB . 15412 1 1533 . 1 1 128 128 ILE CD1 C 13 13.866 0.099 . 1 . . . . 128 I CD1 . 15412 1 1534 . 1 1 128 128 ILE CG1 C 13 28.564 0.054 . 1 . . . . 128 I CG1 . 15412 1 1535 . 1 1 128 128 ILE CG2 C 13 17.207 0.057 . 1 . . . . 128 I CG2 . 15412 1 1536 . 1 1 128 128 ILE N N 15 119.197 0.225 . 1 . . . . 128 I N . 15412 1 1537 . 1 1 129 129 LEU H H 1 7.924 0.007 . 1 . . . . 129 L H . 15412 1 1538 . 1 1 129 129 LEU HA H 1 4.105 0.007 . 1 . . . . 129 L HA . 15412 1 1539 . 1 1 129 129 LEU HB2 H 1 2.082 0.011 . 1 . . . . 129 L HB2 . 15412 1 1540 . 1 1 129 129 LEU HB3 H 1 1.125 0.004 . 1 . . . . 129 L HB3 . 15412 1 1541 . 1 1 129 129 LEU HD11 H 1 0.811 0.013 . 1 . . . . 129 L HD1 . 15412 1 1542 . 1 1 129 129 LEU HD12 H 1 0.811 0.013 . 1 . . . . 129 L HD1 . 15412 1 1543 . 1 1 129 129 LEU HD13 H 1 0.811 0.013 . 1 . . . . 129 L HD1 . 15412 1 1544 . 1 1 129 129 LEU HD21 H 1 0.750 0.017 . 1 . . . . 129 L HD2 . 15412 1 1545 . 1 1 129 129 LEU HD22 H 1 0.750 0.017 . 1 . . . . 129 L HD2 . 15412 1 1546 . 1 1 129 129 LEU HD23 H 1 0.750 0.017 . 1 . . . . 129 L HD2 . 15412 1 1547 . 1 1 129 129 LEU HG H 1 1.507 0.017 . 1 . . . . 129 L HG . 15412 1 1548 . 1 1 129 129 LEU C C 13 179.172 0.200 . 1 . . . . 129 L C . 15412 1 1549 . 1 1 129 129 LEU CA C 13 57.211 0.152 . 1 . . . . 129 L CA . 15412 1 1550 . 1 1 129 129 LEU CB C 13 42.358 0.262 . 1 . . . . 129 L CB . 15412 1 1551 . 1 1 129 129 LEU CD1 C 13 23.265 0.065 . 1 . . . . 129 L CD . 15412 1 1552 . 1 1 129 129 LEU CD2 C 13 23.265 0.065 . 1 . . . . 129 L CD . 15412 1 1553 . 1 1 129 129 LEU CG C 13 26.871 0.270 . 1 . . . . 129 L CG . 15412 1 1554 . 1 1 129 129 LEU N N 15 121.203 0.248 . 1 . . . . 129 L N . 15412 1 1555 . 1 1 130 130 GLU H H 1 8.045 0.007 . 1 . . . . 130 E H . 15412 1 1556 . 1 1 130 130 GLU HA H 1 4.163 0.008 . 1 . . . . 130 E HA . 15412 1 1557 . 1 1 130 130 GLU HB2 H 1 2.061 0.032 . 1 . . . . 130 E HB2 . 15412 1 1558 . 1 1 130 130 GLU HB3 H 1 1.915 0.010 . 1 . . . . 130 E HB3 . 15412 1 1559 . 1 1 130 130 GLU HG2 H 1 2.664 0.028 . 1 . . . . 130 E HG2 . 15412 1 1560 . 1 1 130 130 GLU HG3 H 1 2.450 0.045 . 1 . . . . 130 E HG3 . 15412 1 1561 . 1 1 130 130 GLU C C 13 177.725 0.200 . 1 . . . . 130 E C . 15412 1 1562 . 1 1 130 130 GLU CA C 13 56.987 0.197 . 1 . . . . 130 E CA . 15412 1 1563 . 1 1 130 130 GLU CB C 13 29.588 0.192 . 1 . . . . 130 E CB . 15412 1 1564 . 1 1 130 130 GLU CG C 13 37.772 0.039 . 1 . . . . 130 E CG . 15412 1 1565 . 1 1 130 130 GLU N N 15 118.510 0.109 . 1 . . . . 130 E N . 15412 1 1566 . 1 1 131 131 HIS H H 1 8.065 0.010 . 1 . . . . 131 H H . 15412 1 1567 . 1 1 131 131 HIS HA H 1 4.464 0.020 . 1 . . . . 131 H HA . 15412 1 1568 . 1 1 131 131 HIS HB2 H 1 3.066 0.020 . 2 . . . . 131 H HB . 15412 1 1569 . 1 1 131 131 HIS HB3 H 1 3.066 0.020 . 2 . . . . 131 H HB . 15412 1 1570 . 1 1 131 131 HIS C C 13 179.689 0.200 . 1 . . . . 131 H C . 15412 1 1571 . 1 1 131 131 HIS CA C 13 56.893 0.200 . 1 . . . . 131 H CA . 15412 1 1572 . 1 1 131 131 HIS CB C 13 29.175 0.200 . 1 . . . . 131 H CB . 15412 1 1573 . 1 1 131 131 HIS N N 15 117.454 0.324 . 1 . . . . 131 H N . 15412 1 1574 . 1 1 132 132 HIS H H 1 8.214 0.020 . 1 . . . . 132 H H . 15412 1 1575 . 1 1 132 132 HIS C C 13 175.907 0.200 . 1 . . . . 132 H C . 15412 1 1576 . 1 1 132 132 HIS N N 15 118.542 0.083 . 1 . . . . 132 H N . 15412 1 1577 . 1 1 133 133 HIS H H 1 8.252 0.020 . 1 . . . . 133 H H . 15412 1 1578 . 1 1 133 133 HIS N N 15 117.966 0.200 . 1 . . . . 133 H N . 15412 1 stop_ save_