data_26060 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26060 _Entry.Title ; Solution NMR structures of AF9 yeats domain in complex with histone H3 crotonylation at K18 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-19 _Entry.Accession_date 2016-05-19 _Entry.Last_release_date 2016-09-01 _Entry.Original_release_date 2016-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Lei Zeng . . . . 26060 2 MING-MING ZHOU . . . . 26060 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26060 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AF9 . 26060 Histone . 26060 Yeats . 26060 acetylation . 26060 crotonylation . 26060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 665 26060 '15N chemical shifts' 123 26060 '1H chemical shifts' 1007 26060 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-12 2016-05-19 update BMRB 'update entry citation' 26060 1 . . 2016-09-01 2016-05-19 original author 'original release' 26060 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NDG 'BMRB Entry Tracking System' 26060 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26060 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27545619 _Citation.Full_citation . _Citation.Title ; Structural Insights into Histone Crotonyl-Lysine Recognition by the AF9 YEATS Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 9 _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 1606 _Citation.Page_last 1612 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qiang Zhang . . . . 26060 1 2 Lei Zeng . . . . 26060 1 3 Chengcheng Zhao . . . . 26060 1 4 Ying Ju . . . . 26060 1 5 Tsuyoshi Konuma . . . . 26060 1 6 MING-MING ZHOU . . . . 26060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26060 _Assembly.ID 1 _Assembly.Name 'AF9 yeats domain in complex with histone H3 crotonylation at K18' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 26060 1 2 entity_2 2 $entity_2 B . yes native no no . . . 26060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26060 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASSCAVQVKLELGHRA QVRKKPTVEGFTHDWMVFVR GPEHSNIQHFVEKVVFHLHE SFPRPKRVCKDPPYKVEESG YAGFILPIEVYFKNKEEPRK VRFDYDLFLHLEGHPPVNHL RCEKLTFNNPTEDFRRKLLK A ; _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 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16611.314 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 GLY . 26060 1 2 2 SER . 26060 1 3 3 HIS . 26060 1 4 4 MET . 26060 1 5 5 ALA . 26060 1 6 6 SER . 26060 1 7 7 SER . 26060 1 8 8 CYS . 26060 1 9 9 ALA . 26060 1 10 10 VAL . 26060 1 11 11 GLN . 26060 1 12 12 VAL . 26060 1 13 13 LYS . 26060 1 14 14 LEU . 26060 1 15 15 GLU . 26060 1 16 16 LEU . 26060 1 17 17 GLY . 26060 1 18 18 HIS . 26060 1 19 19 ARG . 26060 1 20 20 ALA . 26060 1 21 21 GLN . 26060 1 22 22 VAL . 26060 1 23 23 ARG . 26060 1 24 24 LYS . 26060 1 25 25 LYS . 26060 1 26 26 PRO . 26060 1 27 27 THR . 26060 1 28 28 VAL . 26060 1 29 29 GLU . 26060 1 30 30 GLY . 26060 1 31 31 PHE . 26060 1 32 32 THR . 26060 1 33 33 HIS . 26060 1 34 34 ASP . 26060 1 35 35 TRP . 26060 1 36 36 MET . 26060 1 37 37 VAL . 26060 1 38 38 PHE . 26060 1 39 39 VAL . 26060 1 40 40 ARG . 26060 1 41 41 GLY . 26060 1 42 42 PRO . 26060 1 43 43 GLU . 26060 1 44 44 HIS . 26060 1 45 45 SER . 26060 1 46 46 ASN . 26060 1 47 47 ILE . 26060 1 48 48 GLN . 26060 1 49 49 HIS . 26060 1 50 50 PHE . 26060 1 51 51 VAL . 26060 1 52 52 GLU . 26060 1 53 53 LYS . 26060 1 54 54 VAL . 26060 1 55 55 VAL . 26060 1 56 56 PHE . 26060 1 57 57 HIS . 26060 1 58 58 LEU . 26060 1 59 59 HIS . 26060 1 60 60 GLU . 26060 1 61 61 SER . 26060 1 62 62 PHE . 26060 1 63 63 PRO . 26060 1 64 64 ARG . 26060 1 65 65 PRO . 26060 1 66 66 LYS . 26060 1 67 67 ARG . 26060 1 68 68 VAL . 26060 1 69 69 CYS . 26060 1 70 70 LYS . 26060 1 71 71 ASP . 26060 1 72 72 PRO . 26060 1 73 73 PRO . 26060 1 74 74 TYR . 26060 1 75 75 LYS . 26060 1 76 76 VAL . 26060 1 77 77 GLU . 26060 1 78 78 GLU . 26060 1 79 79 SER . 26060 1 80 80 GLY . 26060 1 81 81 TYR . 26060 1 82 82 ALA . 26060 1 83 83 GLY . 26060 1 84 84 PHE . 26060 1 85 85 ILE . 26060 1 86 86 LEU . 26060 1 87 87 PRO . 26060 1 88 88 ILE . 26060 1 89 89 GLU . 26060 1 90 90 VAL . 26060 1 91 91 TYR . 26060 1 92 92 PHE . 26060 1 93 93 LYS . 26060 1 94 94 ASN . 26060 1 95 95 LYS . 26060 1 96 96 GLU . 26060 1 97 97 GLU . 26060 1 98 98 PRO . 26060 1 99 99 ARG . 26060 1 100 100 LYS . 26060 1 101 101 VAL . 26060 1 102 102 ARG . 26060 1 103 103 PHE . 26060 1 104 104 ASP . 26060 1 105 105 TYR . 26060 1 106 106 ASP . 26060 1 107 107 LEU . 26060 1 108 108 PHE . 26060 1 109 109 LEU . 26060 1 110 110 HIS . 26060 1 111 111 LEU . 26060 1 112 112 GLU . 26060 1 113 113 GLY . 26060 1 114 114 HIS . 26060 1 115 115 PRO . 26060 1 116 116 PRO . 26060 1 117 117 VAL . 26060 1 118 118 ASN . 26060 1 119 119 HIS . 26060 1 120 120 LEU . 26060 1 121 121 ARG . 26060 1 122 122 CYS . 26060 1 123 123 GLU . 26060 1 124 124 LYS . 26060 1 125 125 LEU . 26060 1 126 126 THR . 26060 1 127 127 PHE . 26060 1 128 128 ASN . 26060 1 129 129 ASN . 26060 1 130 130 PRO . 26060 1 131 131 THR . 26060 1 132 132 GLU . 26060 1 133 133 ASP . 26060 1 134 134 PHE . 26060 1 135 135 ARG . 26060 1 136 136 ARG . 26060 1 137 137 LYS . 26060 1 138 138 LEU . 26060 1 139 139 LEU . 26060 1 140 140 LYS . 26060 1 141 141 ALA . 26060 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26060 1 . SER 2 2 26060 1 . HIS 3 3 26060 1 . MET 4 4 26060 1 . ALA 5 5 26060 1 . SER 6 6 26060 1 . SER 7 7 26060 1 . CYS 8 8 26060 1 . ALA 9 9 26060 1 . VAL 10 10 26060 1 . GLN 11 11 26060 1 . VAL 12 12 26060 1 . LYS 13 13 26060 1 . LEU 14 14 26060 1 . GLU 15 15 26060 1 . LEU 16 16 26060 1 . GLY 17 17 26060 1 . HIS 18 18 26060 1 . ARG 19 19 26060 1 . ALA 20 20 26060 1 . GLN 21 21 26060 1 . VAL 22 22 26060 1 . ARG 23 23 26060 1 . LYS 24 24 26060 1 . LYS 25 25 26060 1 . PRO 26 26 26060 1 . THR 27 27 26060 1 . VAL 28 28 26060 1 . GLU 29 29 26060 1 . GLY 30 30 26060 1 . PHE 31 31 26060 1 . THR 32 32 26060 1 . HIS 33 33 26060 1 . ASP 34 34 26060 1 . TRP 35 35 26060 1 . MET 36 36 26060 1 . VAL 37 37 26060 1 . PHE 38 38 26060 1 . VAL 39 39 26060 1 . ARG 40 40 26060 1 . GLY 41 41 26060 1 . PRO 42 42 26060 1 . GLU 43 43 26060 1 . HIS 44 44 26060 1 . SER 45 45 26060 1 . ASN 46 46 26060 1 . ILE 47 47 26060 1 . GLN 48 48 26060 1 . HIS 49 49 26060 1 . PHE 50 50 26060 1 . VAL 51 51 26060 1 . GLU 52 52 26060 1 . LYS 53 53 26060 1 . VAL 54 54 26060 1 . VAL 55 55 26060 1 . PHE 56 56 26060 1 . HIS 57 57 26060 1 . LEU 58 58 26060 1 . HIS 59 59 26060 1 . GLU 60 60 26060 1 . SER 61 61 26060 1 . PHE 62 62 26060 1 . PRO 63 63 26060 1 . ARG 64 64 26060 1 . PRO 65 65 26060 1 . LYS 66 66 26060 1 . ARG 67 67 26060 1 . VAL 68 68 26060 1 . CYS 69 69 26060 1 . LYS 70 70 26060 1 . ASP 71 71 26060 1 . PRO 72 72 26060 1 . PRO 73 73 26060 1 . TYR 74 74 26060 1 . LYS 75 75 26060 1 . VAL 76 76 26060 1 . GLU 77 77 26060 1 . GLU 78 78 26060 1 . SER 79 79 26060 1 . GLY 80 80 26060 1 . TYR 81 81 26060 1 . ALA 82 82 26060 1 . GLY 83 83 26060 1 . PHE 84 84 26060 1 . ILE 85 85 26060 1 . LEU 86 86 26060 1 . PRO 87 87 26060 1 . ILE 88 88 26060 1 . GLU 89 89 26060 1 . VAL 90 90 26060 1 . TYR 91 91 26060 1 . PHE 92 92 26060 1 . LYS 93 93 26060 1 . ASN 94 94 26060 1 . LYS 95 95 26060 1 . GLU 96 96 26060 1 . GLU 97 97 26060 1 . PRO 98 98 26060 1 . ARG 99 99 26060 1 . LYS 100 100 26060 1 . VAL 101 101 26060 1 . ARG 102 102 26060 1 . PHE 103 103 26060 1 . ASP 104 104 26060 1 . TYR 105 105 26060 1 . ASP 106 106 26060 1 . LEU 107 107 26060 1 . PHE 108 108 26060 1 . LEU 109 109 26060 1 . HIS 110 110 26060 1 . LEU 111 111 26060 1 . GLU 112 112 26060 1 . GLY 113 113 26060 1 . HIS 114 114 26060 1 . PRO 115 115 26060 1 . PRO 116 116 26060 1 . VAL 117 117 26060 1 . ASN 118 118 26060 1 . HIS 119 119 26060 1 . LEU 120 120 26060 1 . ARG 121 121 26060 1 . CYS 122 122 26060 1 . GLU 123 123 26060 1 . LYS 124 124 26060 1 . LEU 125 125 26060 1 . THR 126 126 26060 1 . PHE 127 127 26060 1 . ASN 128 128 26060 1 . ASN 129 129 26060 1 . PRO 130 130 26060 1 . THR 131 131 26060 1 . GLU 132 132 26060 1 . ASP 133 133 26060 1 . PHE 134 134 26060 1 . ARG 135 135 26060 1 . ARG 136 136 26060 1 . LYS 137 137 26060 1 . LEU 138 138 26060 1 . LEU 139 139 26060 1 . LYS 140 140 26060 1 . ALA 141 141 26060 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 26060 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGKAPRXQLATKA ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1181.408 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 GLY . 26060 2 2 2 GLY . 26060 2 3 3 LYS . 26060 2 4 4 ALA . 26060 2 5 5 PRO . 26060 2 6 6 ARG . 26060 2 7 7 KCR . 26060 2 8 8 GLN . 26060 2 9 9 LEU . 26060 2 10 10 ALA . 26060 2 11 11 THR . 26060 2 12 12 LYS . 26060 2 13 13 ALA . 26060 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26060 2 . GLY 2 2 26060 2 . LYS 3 3 26060 2 . ALA 4 4 26060 2 . PRO 5 5 26060 2 . ARG 6 6 26060 2 . KCR 7 7 26060 2 . GLN 8 8 26060 2 . LEU 9 9 26060 2 . ALA 10 10 26060 2 . THR 11 11 26060 2 . LYS 12 12 26060 2 . ALA 13 13 26060 2 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 26060 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26060 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26060 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 26060 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'RIL strain cells' . . . . . BL21(DE3) . . . 26060 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 26060 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_KCR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_KCR _Chem_comp.Entry_ID 26060 _Chem_comp.ID KCR _Chem_comp.Provenance PDB _Chem_comp.Name N-6-crotonyl-L-lysine _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code KCR _Chem_comp.PDB_code KCR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2015-09-11 _Chem_comp.Modified_date 2015-09-11 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code KCR _Chem_comp.Number_atoms_all 33 _Chem_comp.Number_atoms_nh 15 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H18 N2 O3' _Chem_comp.Formula_weight 214.262 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 4YYD _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.9.2 26060 KCR CC=CC(=O)NCCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.9.2 26060 KCR CC=CC(=O)NCCCC[CH](N)C(O)=O SMILES CACTVS 3.385 26060 KCR C\C=C\C(=O)NCCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.385 26060 KCR IZHPCCLNIDDVFG-NCJLJLRUSA-N InChIKey InChI 1.03 26060 KCR InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1 InChI InChI 1.03 26060 KCR NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C SMILES ACDLabs 12.01 26060 KCR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-azanyl-6-[[(E)-but-2-enoyl]amino]hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.9.2 26060 KCR N~6~-[(2E)-but-2-enoyl]-L-lysine 'SYSTEMATIC NAME' ACDLabs 12.01 26060 KCR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N1 . N . . N 0 . . . 1 no no . . . . -5.674 . -23.216 . -0.829 . 3.859 1.675 -0.481 1 . 26060 KCR CA CA CA C1 . C . . S 0 . . . 1 no no . . . . -6.917 . -22.729 . -0.248 . 3.789 0.430 0.296 2 . 26060 KCR CB CB CB C2 . C . . N 0 . . . 1 no no . . . . -7.892 . -22.367 . -1.403 . 2.540 -0.355 -0.110 3 . 26060 KCR CG CG CG C3 . C . . N 0 . . . 1 no no . . . . -7.333 . -21.485 . -2.482 . 1.291 0.436 0.281 4 . 26060 KCR CD CD CD C4 . C . . N 0 . . . 1 no no . . . . -7.026 . -20.184 . -1.847 . 0.042 -0.349 -0.125 5 . 26060 KCR CE CE CE C5 . C . . N 0 . . . 1 no no . . . . -6.328 . -19.278 . -2.844 . -1.208 0.443 0.267 6 . 26060 KCR NZ NZ NZ N2 . N . . N 0 . . . 1 no no . . . . -7.346 . -18.961 . -3.866 . -2.404 -0.309 -0.122 7 . 26060 KCR CH CH CH C6 . C . . N 0 . . . 1 no no . . . . -6.995 . -18.513 . -5.063 . -3.628 0.197 0.125 8 . 26060 KCR OH OH OH O1 . O . . N 0 . . . 1 no no . . . . -5.772 . -18.290 . -5.282 . -3.740 1.278 0.671 9 . 26060 KCR CX CX CX C7 . C . . N 0 . . . 1 no no . . . . -8.077 . -18.370 . -6.107 . -4.829 -0.558 -0.265 10 . 26060 KCR CY CY CY C8 . C . . N 0 . . . 1 no no . . . . -7.845 . -18.698 . -7.420 . -6.037 -0.058 -0.021 11 . 26060 KCR CH3 CH3 CH3 C9 . C . . N 0 . . . 1 no no . . . . -8.817 . -18.718 . -8.564 . -7.267 -0.831 -0.420 12 . 26060 KCR C C C C10 . C . . N 0 . . . 1 no no . . . . -7.485 . -23.634 . 0.848 . 5.016 -0.402 0.023 13 . 26060 KCR O O O O2 . O . . N 0 . . . 1 no no . . . . -7.257 . -24.853 . 0.821 . 5.671 -0.203 -0.973 14 . 26060 KCR O1 O1 O1 O3 . O . . N 0 . . . 1 no yes . . . . -8.111 . -23.008 . 1.854 . 5.381 -1.363 0.886 15 . 26060 KCR H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -5.034 . -23.454 . -0.098 . 3.905 1.482 -1.470 16 . 26060 KCR H2 H2 H2 H2 . H . . N 0 . . . 1 no yes . . . . -5.861 . -24.026 . -1.385 . 3.079 2.279 -0.267 17 . 26060 KCR H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -6.680 . -21.775 . 0.246 . 3.740 0.667 1.358 18 . 26060 KCR H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -8.759 . -21.853 . -0.963 . 2.546 -0.515 -1.188 19 . 26060 KCR H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -8.222 . -23.306 . -1.872 . 2.535 -1.319 0.400 20 . 26060 KCR H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -8.074 . -21.351 . -3.284 . 1.285 0.596 1.359 21 . 26060 KCR H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -6.417 . -21.929 . -2.899 . 1.296 1.399 -0.229 22 . 26060 KCR H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . -6.370 . -20.347 . -0.980 . 0.047 -0.509 -1.203 23 . 26060 KCR H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . -7.961 . -19.710 . -1.515 . 0.036 -1.312 0.386 24 . 26060 KCR H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . -5.472 . -19.796 . -3.301 . -1.214 0.603 1.345 25 . 26060 KCR H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . -5.979 . -18.359 . -2.350 . -1.202 1.406 -0.244 26 . 26060 KCR H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . -8.315 . -19.086 . -3.652 . -2.315 -1.171 -0.557 27 . 26060 KCR H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -9.050 . -18.003 . -5.816 . -4.729 -1.518 -0.749 28 . 26060 KCR H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . -6.830 . -18.978 . -7.661 . -6.136 0.902 0.464 29 . 26060 KCR H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . -8.297 . -19.028 . -9.482 . -7.261 -0.991 -1.498 30 . 26060 KCR H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . -9.628 . -19.428 . -8.344 . -7.273 -1.794 0.090 31 . 26060 KCR H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . -9.239 . -17.712 . -8.704 . -8.157 -0.267 -0.142 32 . 26060 KCR H19 H19 H19 H19 . H . . N 0 . . . 1 no yes . . . . -8.344 . -23.639 . 2.524 . 6.175 -1.870 0.668 33 . 26060 KCR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CH3 CY no N 1 . 26060 KCR 2 . DOUB CY CX no E 2 . 26060 KCR 3 . SING CX CH no N 3 . 26060 KCR 4 . DOUB OH CH no N 4 . 26060 KCR 5 . SING CH NZ no N 5 . 26060 KCR 6 . SING NZ CE no N 6 . 26060 KCR 7 . SING CE CD no N 7 . 26060 KCR 8 . SING CG CD no N 8 . 26060 KCR 9 . SING CG CB no N 9 . 26060 KCR 10 . SING CB CA no N 10 . 26060 KCR 11 . SING N CA no N 11 . 26060 KCR 12 . SING CA C no N 12 . 26060 KCR 13 . DOUB O C no N 13 . 26060 KCR 14 . SING C O1 no N 14 . 26060 KCR 15 . SING N H1 no N 15 . 26060 KCR 16 . SING N H2 no N 16 . 26060 KCR 17 . SING CA H4 no N 17 . 26060 KCR 18 . SING CB H5 no N 18 . 26060 KCR 19 . SING CB H6 no N 19 . 26060 KCR 20 . SING CG H7 no N 20 . 26060 KCR 21 . SING CG H8 no N 21 . 26060 KCR 22 . SING CD H9 no N 22 . 26060 KCR 23 . SING CD H10 no N 23 . 26060 KCR 24 . SING CE H11 no N 24 . 26060 KCR 25 . SING CE H12 no N 25 . 26060 KCR 26 . SING NZ H13 no N 26 . 26060 KCR 27 . SING CX H14 no N 27 . 26060 KCR 28 . SING CY H15 no N 28 . 26060 KCR 29 . SING CH3 H16 no N 29 . 26060 KCR 30 . SING CH3 H17 no N 30 . 26060 KCR 31 . SING CH3 H18 no N 31 . 26060 KCR 32 . SING O1 H19 no N 32 . 26060 KCR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26060 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26060 1 2 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 26060 1 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 26060 1 4 DTT '[U-100% 2H]' . . . . . . 2 . . mM . . . . 26060 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 26060 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26060 1 7 entity_1 13C/15N-labelled . . 1 $entity_1 . . 0.5 . . mM . . . . 26060 1 8 entity_2 13C/15N-labelled . . 2 $entity_2 . . 0.25 . . mM . . . . 26060 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26060 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26060 2 2 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 26060 2 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 26060 2 4 DTT '[U-100% 2H]' . . . . . . 2 . . mM . . . . 26060 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 26060 2 6 entity_1 13C/15N-labelled . . 1 $entity_1 . . 0.5 . . mM . . . . 26060 2 7 entity_2 13C/15N-labelled . . 2 $entity_2 . . 0.25 . . mM . . . . 26060 2 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 26060 _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' 500 . mM 26060 1 pH 7.4 . pH 26060 1 pressure 1 . atm 26060 1 temperature 298 . K 26060 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 26060 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 26060 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26060 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26060 _Software.ID 2 _Software.Name NMRPipe _Software.Version 7.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26060 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 26060 2 processing 26060 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26060 _Software.ID 3 _Software.Name NMRView _Software.Version '5.04 C-version' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26060 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26060 3 'data analysis' 26060 3 'peak picking' 26060 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26060 _Software.ID 4 _Software.Name TALOS _Software.Version 'talosn, talosplus' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26060 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26060 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26060 _Software.ID 5 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26060 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 26060 5 refinement 26060 5 'structure solution' 26060 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26060 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26060 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26060 6 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 26060 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26060 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26060 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 26060 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26060 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 cryo-probe . . 26060 1 2 spectrometer_2 Bruker Avance . 900 cryo-probe . . 26060 1 3 spectrometer_3 Bruker Avance . 600 cryo-probe . . 26060 1 4 spectrometer_4 Bruker Avance . 500 cryo-probe . . 26060 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 26060 _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 . . . . . . . . . . . . . . . . . . . . . 26060 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 1 9 '3D filtered 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 1 10 '3D filtered 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26060 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 26060 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water 'methyl carbon' . . . . ppm 40 internal direct 1 . . . . . 26060 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 26060 1 N 15 water nitrogen . . . . ppm 118.5 internal direct 1 . . . . . 26060 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 26060 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _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' . . . 26060 1 2 '3D HNCACB' . . . 26060 1 3 '3D CBCA(CO)NH' . . . 26060 1 4 '3D HNCO' . . . 26060 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 4 4 MET C C 13 175.8000 0.4 . 1 . . . A 4 MET C . 26060 1 2 . 1 1 4 4 MET CA C 13 55.3500 0.4 . 1 . . . A 4 MET CA . 26060 1 3 . 1 1 4 4 MET CB C 13 32.8800 0.4 . 1 . . . A 4 MET CB . 26060 1 4 . 1 1 5 5 ALA H H 1 8.3200 0.04 . 1 . . . A 5 ALA H . 26060 1 5 . 1 1 5 5 ALA HA H 1 4.3500 0.04 . 1 . . . A 5 ALA HA . 26060 1 6 . 1 1 5 5 ALA HB1 H 1 1.4000 0.04 . 1 . . . A 5 ALA HB1 . 26060 1 7 . 1 1 5 5 ALA HB2 H 1 1.4000 0.04 . 1 . . . A 5 ALA HB2 . 26060 1 8 . 1 1 5 5 ALA HB3 H 1 1.4000 0.04 . 1 . . . A 5 ALA HB3 . 26060 1 9 . 1 1 5 5 ALA CA C 13 52.4300 0.4 . 1 . . . A 5 ALA CA . 26060 1 10 . 1 1 5 5 ALA CB C 13 19.3700 0.4 . 1 . . . A 5 ALA CB . 26060 1 11 . 1 1 5 5 ALA N N 15 125.2300 0.4 . 1 . . . A 5 ALA N . 26060 1 12 . 1 1 6 6 SER HA H 1 4.4900 0.04 . 1 . . . A 6 SER HA . 26060 1 13 . 1 1 6 6 SER HB2 H 1 3.8600 0.04 . 2 . . . A 6 SER HB2 . 26060 1 14 . 1 1 6 6 SER HB3 H 1 3.9400 0.04 . 2 . . . A 6 SER HB3 . 26060 1 15 . 1 1 6 6 SER CA C 13 58.2000 0.4 . 1 . . . A 6 SER CA . 26060 1 16 . 1 1 6 6 SER CB C 13 63.7000 0.4 . 1 . . . A 6 SER CB . 26060 1 17 . 1 1 7 7 SER HA H 1 4.5300 0.04 . 1 . . . A 7 SER HA . 26060 1 18 . 1 1 7 7 SER HB2 H 1 3.8800 0.04 . 2 . . . A 7 SER HB2 . 26060 1 19 . 1 1 7 7 SER HB3 H 1 3.9500 0.04 . 2 . . . A 7 SER HB3 . 26060 1 20 . 1 1 7 7 SER CA C 13 58.2000 0.4 . 1 . . . A 7 SER CA . 26060 1 21 . 1 1 7 7 SER CB C 13 63.7000 0.4 . 1 . . . A 7 SER CB . 26060 1 22 . 1 1 8 8 CYS HA H 1 4.6100 0.04 . 1 . . . A 8 CYS HA . 26060 1 23 . 1 1 8 8 CYS HB3 H 1 2.9800 0.04 . 2 . . . A 8 CYS HB3 . 26060 1 24 . 1 1 8 8 CYS C C 13 173.5000 0.4 . 1 . . . A 8 CYS C . 26060 1 25 . 1 1 8 8 CYS CA C 13 58.3400 0.4 . 1 . . . A 8 CYS CA . 26060 1 26 . 1 1 8 8 CYS CB C 13 28.4900 0.4 . 1 . . . A 8 CYS CB . 26060 1 27 . 1 1 9 9 ALA H H 1 7.9600 0.04 . 1 . . . A 9 ALA H . 26060 1 28 . 1 1 9 9 ALA HA H 1 4.7900 0.04 . 1 . . . A 9 ALA HA . 26060 1 29 . 1 1 9 9 ALA HB1 H 1 1.2860 0.04 . 1 . . . A 9 ALA HB1 . 26060 1 30 . 1 1 9 9 ALA HB2 H 1 1.2860 0.04 . 1 . . . A 9 ALA HB2 . 26060 1 31 . 1 1 9 9 ALA HB3 H 1 1.2860 0.04 . 1 . . . A 9 ALA HB3 . 26060 1 32 . 1 1 9 9 ALA C C 13 177.4000 0.4 . 1 . . . A 9 ALA C . 26060 1 33 . 1 1 9 9 ALA CA C 13 52.0700 0.4 . 1 . . . A 9 ALA CA . 26060 1 34 . 1 1 9 9 ALA CB C 13 20.6290 0.4 . 1 . . . A 9 ALA CB . 26060 1 35 . 1 1 9 9 ALA N N 15 124.7000 0.4 . 1 . . . A 9 ALA N . 26060 1 36 . 1 1 10 10 VAL H H 1 8.4240 0.04 . 1 . . . A 10 VAL H . 26060 1 37 . 1 1 10 10 VAL HA H 1 4.2900 0.04 . 1 . . . A 10 VAL HA . 26060 1 38 . 1 1 10 10 VAL HB H 1 1.7600 0.04 . 1 . . . A 10 VAL HB . 26060 1 39 . 1 1 10 10 VAL HG11 H 1 0.7700 0.04 . 2 . . . A 10 VAL HG11 . 26060 1 40 . 1 1 10 10 VAL HG12 H 1 0.7700 0.04 . 2 . . . A 10 VAL HG12 . 26060 1 41 . 1 1 10 10 VAL HG13 H 1 0.7700 0.04 . 2 . . . A 10 VAL HG13 . 26060 1 42 . 1 1 10 10 VAL HG21 H 1 0.8300 0.04 . 2 . . . A 10 VAL HG21 . 26060 1 43 . 1 1 10 10 VAL HG22 H 1 0.8300 0.04 . 2 . . . A 10 VAL HG22 . 26060 1 44 . 1 1 10 10 VAL HG23 H 1 0.8300 0.04 . 2 . . . A 10 VAL HG23 . 26060 1 45 . 1 1 10 10 VAL C C 13 173.9000 0.4 . 1 . . . A 10 VAL C . 26060 1 46 . 1 1 10 10 VAL CA C 13 61.5500 0.4 . 1 . . . A 10 VAL CA . 26060 1 47 . 1 1 10 10 VAL CB C 13 34.9000 0.4 . 1 . . . A 10 VAL CB . 26060 1 48 . 1 1 10 10 VAL CG1 C 13 22.1000 0.4 . 1 . . . A 10 VAL CG1 . 26060 1 49 . 1 1 10 10 VAL CG2 C 13 21.8000 0.4 . 1 . . . A 10 VAL CG2 . 26060 1 50 . 1 1 10 10 VAL N N 15 120.1240 0.4 . 1 . . . A 10 VAL N . 26060 1 51 . 1 1 11 11 GLN H H 1 8.6360 0.04 . 1 . . . A 11 GLN H . 26060 1 52 . 1 1 11 11 GLN HA H 1 5.5600 0.04 . 1 . . . A 11 GLN HA . 26060 1 53 . 1 1 11 11 GLN HB3 H 1 1.8700 0.04 . 2 . . . A 11 GLN HB3 . 26060 1 54 . 1 1 11 11 GLN HG2 H 1 2.1600 0.04 . 2 . . . A 11 GLN HG2 . 26060 1 55 . 1 1 11 11 GLN HG3 H 1 2.2100 0.04 . 2 . . . A 11 GLN HG3 . 26060 1 56 . 1 1 11 11 GLN HE21 H 1 7.4100 0.04 . 2 . . . A 11 GLN HE21 . 26060 1 57 . 1 1 11 11 GLN HE22 H 1 6.8800 0.04 . 2 . . . A 11 GLN HE22 . 26060 1 58 . 1 1 11 11 GLN C C 13 175.4000 0.4 . 1 . . . A 11 GLN C . 26060 1 59 . 1 1 11 11 GLN CA C 13 54.1230 0.4 . 1 . . . A 11 GLN CA . 26060 1 60 . 1 1 11 11 GLN CB C 13 32.0290 0.4 . 1 . . . A 11 GLN CB . 26060 1 61 . 1 1 11 11 GLN CG C 13 34.4800 0.4 . 1 . . . A 11 GLN CG . 26060 1 62 . 1 1 11 11 GLN N N 15 125.8180 0.4 . 1 . . . A 11 GLN N . 26060 1 63 . 1 1 11 11 GLN NE2 N 15 112.0900 0.4 . 1 . . . A 11 GLN NE2 . 26060 1 64 . 1 1 12 12 VAL H H 1 8.8270 0.04 . 1 . . . A 12 VAL H . 26060 1 65 . 1 1 12 12 VAL HA H 1 4.6300 0.04 . 1 . . . A 12 VAL HA . 26060 1 66 . 1 1 12 12 VAL HB H 1 2.1000 0.04 . 1 . . . A 12 VAL HB . 26060 1 67 . 1 1 12 12 VAL HG11 H 1 0.6900 0.04 . 2 . . . A 12 VAL HG11 . 26060 1 68 . 1 1 12 12 VAL HG12 H 1 0.6900 0.04 . 2 . . . A 12 VAL HG12 . 26060 1 69 . 1 1 12 12 VAL HG13 H 1 0.6900 0.04 . 2 . . . A 12 VAL HG13 . 26060 1 70 . 1 1 12 12 VAL HG21 H 1 0.6500 0.04 . 2 . . . A 12 VAL HG21 . 26060 1 71 . 1 1 12 12 VAL HG22 H 1 0.6500 0.04 . 2 . . . A 12 VAL HG22 . 26060 1 72 . 1 1 12 12 VAL HG23 H 1 0.6500 0.04 . 2 . . . A 12 VAL HG23 . 26060 1 73 . 1 1 12 12 VAL C C 13 173.8000 0.4 . 1 . . . A 12 VAL C . 26060 1 74 . 1 1 12 12 VAL CA C 13 59.8000 0.4 . 1 . . . A 12 VAL CA . 26060 1 75 . 1 1 12 12 VAL CB C 13 35.7110 0.4 . 1 . . . A 12 VAL CB . 26060 1 76 . 1 1 12 12 VAL CG1 C 13 21.9000 0.4 . 1 . . . A 12 VAL CG1 . 26060 1 77 . 1 1 12 12 VAL CG2 C 13 20.1000 0.4 . 1 . . . A 12 VAL CG2 . 26060 1 78 . 1 1 12 12 VAL N N 15 119.1060 0.4 . 1 . . . A 12 VAL N . 26060 1 79 . 1 1 13 13 LYS H H 1 8.2340 0.04 . 1 . . . A 13 LYS H . 26060 1 80 . 1 1 13 13 LYS HA H 1 5.2000 0.04 . 1 . . . A 13 LYS HA . 26060 1 81 . 1 1 13 13 LYS HB2 H 1 1.6400 0.04 . 2 . . . A 13 LYS HB2 . 26060 1 82 . 1 1 13 13 LYS HB3 H 1 1.8200 0.04 . 2 . . . A 13 LYS HB3 . 26060 1 83 . 1 1 13 13 LYS HG2 H 1 1.2600 0.04 . 2 . . . A 13 LYS HG2 . 26060 1 84 . 1 1 13 13 LYS HG3 H 1 1.4700 0.04 . 2 . . . A 13 LYS HG3 . 26060 1 85 . 1 1 13 13 LYS HD3 H 1 1.6700 0.04 . 2 . . . A 13 LYS HD3 . 26060 1 86 . 1 1 13 13 LYS HE3 H 1 2.9100 0.04 . 2 . . . A 13 LYS HE3 . 26060 1 87 . 1 1 13 13 LYS C C 13 175.0300 0.4 . 1 . . . A 13 LYS C . 26060 1 88 . 1 1 13 13 LYS CA C 13 55.4300 0.4 . 1 . . . A 13 LYS CA . 26060 1 89 . 1 1 13 13 LYS CB C 13 35.9200 0.4 . 1 . . . A 13 LYS CB . 26060 1 90 . 1 1 13 13 LYS CG C 13 25.8500 0.4 . 1 . . . A 13 LYS CG . 26060 1 91 . 1 1 13 13 LYS CD C 13 29.2500 0.4 . 1 . . . A 13 LYS CD . 26060 1 92 . 1 1 13 13 LYS CE C 13 41.7700 0.4 . 1 . . . A 13 LYS CE . 26060 1 93 . 1 1 13 13 LYS N N 15 121.7000 0.4 . 1 . . . A 13 LYS N . 26060 1 94 . 1 1 14 14 LEU H H 1 8.8400 0.04 . 1 . . . A 14 LEU H . 26060 1 95 . 1 1 14 14 LEU HA H 1 4.9500 0.04 . 1 . . . A 14 LEU HA . 26060 1 96 . 1 1 14 14 LEU HB2 H 1 1.3700 0.04 . 2 . . . A 14 LEU HB2 . 26060 1 97 . 1 1 14 14 LEU HB3 H 1 1.5100 0.04 . 2 . . . A 14 LEU HB3 . 26060 1 98 . 1 1 14 14 LEU HG H 1 1.7300 0.04 . 1 . . . A 14 LEU HG . 26060 1 99 . 1 1 14 14 LEU HD11 H 1 0.9900 0.04 . 2 . . . A 14 LEU HD11 . 26060 1 100 . 1 1 14 14 LEU HD12 H 1 0.9900 0.04 . 2 . . . A 14 LEU HD12 . 26060 1 101 . 1 1 14 14 LEU HD13 H 1 0.9900 0.04 . 2 . . . A 14 LEU HD13 . 26060 1 102 . 1 1 14 14 LEU HD21 H 1 1.0200 0.04 . 2 . . . A 14 LEU HD21 . 26060 1 103 . 1 1 14 14 LEU HD22 H 1 1.0200 0.04 . 2 . . . A 14 LEU HD22 . 26060 1 104 . 1 1 14 14 LEU HD23 H 1 1.0200 0.04 . 2 . . . A 14 LEU HD23 . 26060 1 105 . 1 1 14 14 LEU C C 13 175.1100 0.4 . 1 . . . A 14 LEU C . 26060 1 106 . 1 1 14 14 LEU CA C 13 53.3570 0.4 . 1 . . . A 14 LEU CA . 26060 1 107 . 1 1 14 14 LEU CB C 13 46.9210 0.4 . 1 . . . A 14 LEU CB . 26060 1 108 . 1 1 14 14 LEU CG C 13 27.1600 0.4 . 1 . . . A 14 LEU CG . 26060 1 109 . 1 1 14 14 LEU CD1 C 13 26.3800 0.4 . 1 . . . A 14 LEU CD1 . 26060 1 110 . 1 1 14 14 LEU CD2 C 13 24.2800 0.4 . 1 . . . A 14 LEU CD2 . 26060 1 111 . 1 1 14 14 LEU N N 15 119.1000 0.4 . 1 . . . A 14 LEU N . 26060 1 112 . 1 1 15 15 GLU H H 1 9.1810 0.04 . 1 . . . A 15 GLU H . 26060 1 113 . 1 1 15 15 GLU HA H 1 4.9900 0.04 . 1 . . . A 15 GLU HA . 26060 1 114 . 1 1 15 15 GLU HB3 H 1 1.8500 0.04 . 2 . . . A 15 GLU HB3 . 26060 1 115 . 1 1 15 15 GLU HG2 H 1 2.0900 0.04 . 2 . . . A 15 GLU HG2 . 26060 1 116 . 1 1 15 15 GLU HG3 H 1 2.2300 0.04 . 2 . . . A 15 GLU HG3 . 26060 1 117 . 1 1 15 15 GLU C C 13 173.8000 0.4 . 1 . . . A 15 GLU C . 26060 1 118 . 1 1 15 15 GLU CA C 13 55.4280 0.4 . 1 . . . A 15 GLU CA . 26060 1 119 . 1 1 15 15 GLU CB C 13 31.8260 0.4 . 1 . . . A 15 GLU CB . 26060 1 120 . 1 1 15 15 GLU CG C 13 36.9600 0.4 . 1 . . . A 15 GLU CG . 26060 1 121 . 1 1 15 15 GLU N N 15 120.9780 0.4 . 1 . . . A 15 GLU N . 26060 1 122 . 1 1 16 16 LEU H H 1 8.8910 0.04 . 1 . . . A 16 LEU H . 26060 1 123 . 1 1 16 16 LEU HA H 1 5.1100 0.04 . 1 . . . A 16 LEU HA . 26060 1 124 . 1 1 16 16 LEU HB2 H 1 1.3500 0.04 . 2 . . . A 16 LEU HB2 . 26060 1 125 . 1 1 16 16 LEU HB3 H 1 1.4600 0.04 . 2 . . . A 16 LEU HB3 . 26060 1 126 . 1 1 16 16 LEU HG H 1 1.5200 0.04 . 1 . . . A 16 LEU HG . 26060 1 127 . 1 1 16 16 LEU HD11 H 1 0.4900 0.04 . 2 . . . A 16 LEU HD11 . 26060 1 128 . 1 1 16 16 LEU HD12 H 1 0.4900 0.04 . 2 . . . A 16 LEU HD12 . 26060 1 129 . 1 1 16 16 LEU HD13 H 1 0.4900 0.04 . 2 . . . A 16 LEU HD13 . 26060 1 130 . 1 1 16 16 LEU HD21 H 1 0.3300 0.04 . 2 . . . A 16 LEU HD21 . 26060 1 131 . 1 1 16 16 LEU HD22 H 1 0.3300 0.04 . 2 . . . A 16 LEU HD22 . 26060 1 132 . 1 1 16 16 LEU HD23 H 1 0.3300 0.04 . 2 . . . A 16 LEU HD23 . 26060 1 133 . 1 1 16 16 LEU C C 13 174.7000 0.4 . 1 . . . A 16 LEU C . 26060 1 134 . 1 1 16 16 LEU CA C 13 53.0760 0.4 . 1 . . . A 16 LEU CA . 26060 1 135 . 1 1 16 16 LEU CB C 13 44.8920 0.4 . 1 . . . A 16 LEU CB . 26060 1 136 . 1 1 16 16 LEU CG C 13 28.7000 0.4 . 1 . . . A 16 LEU CG . 26060 1 137 . 1 1 16 16 LEU CD1 C 13 26.3700 0.4 . 1 . . . A 16 LEU CD1 . 26060 1 138 . 1 1 16 16 LEU CD2 C 13 25.3300 0.4 . 1 . . . A 16 LEU CD2 . 26060 1 139 . 1 1 16 16 LEU N N 15 124.4380 0.4 . 1 . . . A 16 LEU N . 26060 1 140 . 1 1 17 17 GLY H H 1 7.2270 0.04 . 1 . . . A 17 GLY H . 26060 1 141 . 1 1 17 17 GLY HA2 H 1 3.6800 0.04 . 2 . . . A 17 GLY HA2 . 26060 1 142 . 1 1 17 17 GLY HA3 H 1 4.5400 0.04 . 2 . . . A 17 GLY HA3 . 26060 1 143 . 1 1 17 17 GLY C C 13 170.3500 0.4 . 1 . . . A 17 GLY C . 26060 1 144 . 1 1 17 17 GLY CA C 13 46.9840 0.4 . 1 . . . A 17 GLY CA . 26060 1 145 . 1 1 17 17 GLY N N 15 108.0670 0.4 . 1 . . . A 17 GLY N . 26060 1 146 . 1 1 18 18 HIS H H 1 8.1500 0.04 . 1 . . . A 18 HIS H . 26060 1 147 . 1 1 18 18 HIS HA H 1 5.6200 0.04 . 1 . . . A 18 HIS HA . 26060 1 148 . 1 1 18 18 HIS HB2 H 1 2.8800 0.04 . 2 . . . A 18 HIS HB2 . 26060 1 149 . 1 1 18 18 HIS HB3 H 1 3.3200 0.04 . 2 . . . A 18 HIS HB3 . 26060 1 150 . 1 1 18 18 HIS HD2 H 1 6.0700 0.04 . 1 . . . A 18 HIS HD2 . 26060 1 151 . 1 1 18 18 HIS HE1 H 1 6.3500 0.04 . 1 . . . A 18 HIS HE1 . 26060 1 152 . 1 1 18 18 HIS C C 13 172.4000 0.4 . 1 . . . A 18 HIS C . 26060 1 153 . 1 1 18 18 HIS CA C 13 54.9400 0.4 . 1 . . . A 18 HIS CA . 26060 1 154 . 1 1 18 18 HIS CB C 13 34.1600 0.4 . 1 . . . A 18 HIS CB . 26060 1 155 . 1 1 18 18 HIS CD2 C 13 117.1400 0.4 . 1 . . . A 18 HIS CD2 . 26060 1 156 . 1 1 18 18 HIS CE1 C 13 137.1000 0.4 . 1 . . . A 18 HIS CE1 . 26060 1 157 . 1 1 18 18 HIS N N 15 111.2000 0.4 . 1 . . . A 18 HIS N . 26060 1 158 . 1 1 19 19 ARG H H 1 9.0100 0.04 . 1 . . . A 19 ARG H . 26060 1 159 . 1 1 19 19 ARG HA H 1 5.1000 0.04 . 1 . . . A 19 ARG HA . 26060 1 160 . 1 1 19 19 ARG HB2 H 1 1.7800 0.04 . 2 . . . A 19 ARG HB2 . 26060 1 161 . 1 1 19 19 ARG HB3 H 1 2.0000 0.04 . 2 . . . A 19 ARG HB3 . 26060 1 162 . 1 1 19 19 ARG HG3 H 1 1.8100 0.04 . 2 . . . A 19 ARG HG3 . 26060 1 163 . 1 1 19 19 ARG HD3 H 1 3.2100 0.04 . 2 . . . A 19 ARG HD3 . 26060 1 164 . 1 1 19 19 ARG C C 13 175.8000 0.4 . 1 . . . A 19 ARG C . 26060 1 165 . 1 1 19 19 ARG CA C 13 53.5000 0.4 . 1 . . . A 19 ARG CA . 26060 1 166 . 1 1 19 19 ARG CB C 13 34.6500 0.4 . 1 . . . A 19 ARG CB . 26060 1 167 . 1 1 19 19 ARG CG C 13 27.9400 0.4 . 1 . . . A 19 ARG CG . 26060 1 168 . 1 1 19 19 ARG CD C 13 43.6400 0.4 . 1 . . . A 19 ARG CD . 26060 1 169 . 1 1 19 19 ARG N N 15 117.8000 0.4 . 1 . . . A 19 ARG N . 26060 1 170 . 1 1 20 20 ALA H H 1 8.0700 0.04 . 1 . . . A 20 ALA H . 26060 1 171 . 1 1 20 20 ALA HA H 1 5.5300 0.04 . 1 . . . A 20 ALA HA . 26060 1 172 . 1 1 20 20 ALA HB1 H 1 1.4400 0.04 . 1 . . . A 20 ALA HB1 . 26060 1 173 . 1 1 20 20 ALA HB2 H 1 1.4400 0.04 . 1 . . . A 20 ALA HB2 . 26060 1 174 . 1 1 20 20 ALA HB3 H 1 1.4400 0.04 . 1 . . . A 20 ALA HB3 . 26060 1 175 . 1 1 20 20 ALA C C 13 175.8000 0.4 . 1 . . . A 20 ALA C . 26060 1 176 . 1 1 20 20 ALA CA C 13 52.1900 0.4 . 1 . . . A 20 ALA CA . 26060 1 177 . 1 1 20 20 ALA CB C 13 23.7500 0.4 . 1 . . . A 20 ALA CB . 26060 1 178 . 1 1 20 20 ALA N N 15 120.3900 0.4 . 1 . . . A 20 ALA N . 26060 1 179 . 1 1 21 21 GLN H H 1 9.2400 0.04 . 1 . . . A 21 GLN H . 26060 1 180 . 1 1 21 21 GLN HA H 1 5.2300 0.04 . 1 . . . A 21 GLN HA . 26060 1 181 . 1 1 21 21 GLN HB3 H 1 2.1400 0.04 . 2 . . . A 21 GLN HB3 . 26060 1 182 . 1 1 21 21 GLN HG2 H 1 2.3500 0.04 . 2 . . . A 21 GLN HG2 . 26060 1 183 . 1 1 21 21 GLN HG3 H 1 2.5200 0.04 . 2 . . . A 21 GLN HG3 . 26060 1 184 . 1 1 21 21 GLN HE21 H 1 7.7200 0.04 . 2 . . . A 21 GLN HE21 . 26060 1 185 . 1 1 21 21 GLN HE22 H 1 6.8500 0.04 . 2 . . . A 21 GLN HE22 . 26060 1 186 . 1 1 21 21 GLN CA C 13 54.3300 0.4 . 1 . . . A 21 GLN CA . 26060 1 187 . 1 1 21 21 GLN CB C 13 32.9000 0.4 . 1 . . . A 21 GLN CB . 26060 1 188 . 1 1 21 21 GLN CG C 13 33.4400 0.4 . 1 . . . A 21 GLN CG . 26060 1 189 . 1 1 21 21 GLN N N 15 121.7900 0.4 . 1 . . . A 21 GLN N . 26060 1 190 . 1 1 21 21 GLN NE2 N 15 111.8800 0.4 . 1 . . . A 21 GLN NE2 . 26060 1 191 . 1 1 22 22 VAL HA H 1 3.6300 0.04 . 1 . . . A 22 VAL HA . 26060 1 192 . 1 1 22 22 VAL HB H 1 1.8900 0.04 . 1 . . . A 22 VAL HB . 26060 1 193 . 1 1 22 22 VAL HG11 H 1 0.6900 0.04 . 2 . . . A 22 VAL HG11 . 26060 1 194 . 1 1 22 22 VAL HG12 H 1 0.6900 0.04 . 2 . . . A 22 VAL HG12 . 26060 1 195 . 1 1 22 22 VAL HG13 H 1 0.6900 0.04 . 2 . . . A 22 VAL HG13 . 26060 1 196 . 1 1 22 22 VAL HG21 H 1 0.8900 0.04 . 2 . . . A 22 VAL HG21 . 26060 1 197 . 1 1 22 22 VAL HG22 H 1 0.8900 0.04 . 2 . . . A 22 VAL HG22 . 26060 1 198 . 1 1 22 22 VAL HG23 H 1 0.8900 0.04 . 2 . . . A 22 VAL HG23 . 26060 1 199 . 1 1 22 22 VAL C C 13 176.5000 0.4 . 1 . . . A 22 VAL C . 26060 1 200 . 1 1 22 22 VAL CA C 13 63.0300 0.4 . 1 . . . A 22 VAL CA . 26060 1 201 . 1 1 22 22 VAL CB C 13 31.6000 0.4 . 1 . . . A 22 VAL CB . 26060 1 202 . 1 1 22 22 VAL CG1 C 13 21.9300 0.4 . 1 . . . A 22 VAL CG1 . 26060 1 203 . 1 1 22 22 VAL CG2 C 13 21.1000 0.4 . 1 . . . A 22 VAL CG2 . 26060 1 204 . 1 1 23 23 ARG H H 1 8.7200 0.04 . 1 . . . A 23 ARG H . 26060 1 205 . 1 1 23 23 ARG HA H 1 4.1300 0.04 . 1 . . . A 23 ARG HA . 26060 1 206 . 1 1 23 23 ARG HB2 H 1 1.1900 0.04 . 2 . . . A 23 ARG HB2 . 26060 1 207 . 1 1 23 23 ARG HB3 H 1 2.0300 0.04 . 2 . . . A 23 ARG HB3 . 26060 1 208 . 1 1 23 23 ARG HG2 H 1 1.2000 0.04 . 2 . . . A 23 ARG HG2 . 26060 1 209 . 1 1 23 23 ARG HG3 H 1 1.7400 0.04 . 2 . . . A 23 ARG HG3 . 26060 1 210 . 1 1 23 23 ARG HD2 H 1 3.0400 0.04 . 2 . . . A 23 ARG HD2 . 26060 1 211 . 1 1 23 23 ARG HD3 H 1 3.4900 0.04 . 2 . . . A 23 ARG HD3 . 26060 1 212 . 1 1 23 23 ARG CA C 13 56.6000 0.4 . 1 . . . A 23 ARG CA . 26060 1 213 . 1 1 23 23 ARG CB C 13 32.1500 0.4 . 1 . . . A 23 ARG CB . 26060 1 214 . 1 1 23 23 ARG CG C 13 29.3400 0.4 . 1 . . . A 23 ARG CG . 26060 1 215 . 1 1 23 23 ARG CD C 13 43.5500 0.4 . 1 . . . A 23 ARG CD . 26060 1 216 . 1 1 23 23 ARG N N 15 127.8400 0.4 . 1 . . . A 23 ARG N . 26060 1 217 . 1 1 24 24 LYS HA H 1 4.0400 0.04 . 1 . . . A 24 LYS HA . 26060 1 218 . 1 1 24 24 LYS HB3 H 1 1.8600 0.04 . 2 . . . A 24 LYS HB3 . 26060 1 219 . 1 1 24 24 LYS HG2 H 1 1.5100 0.04 . 2 . . . A 24 LYS HG2 . 26060 1 220 . 1 1 24 24 LYS HG3 H 1 1.5900 0.04 . 2 . . . A 24 LYS HG3 . 26060 1 221 . 1 1 24 24 LYS HD3 H 1 1.7300 0.04 . 2 . . . A 24 LYS HD3 . 26060 1 222 . 1 1 24 24 LYS HE3 H 1 3.0300 0.04 . 2 . . . A 24 LYS HE3 . 26060 1 223 . 1 1 24 24 LYS C C 13 176.9600 0.4 . 1 . . . A 24 LYS C . 26060 1 224 . 1 1 24 24 LYS CA C 13 58.8000 0.4 . 1 . . . A 24 LYS CA . 26060 1 225 . 1 1 24 24 LYS CB C 13 32.0600 0.4 . 1 . . . A 24 LYS CB . 26060 1 226 . 1 1 24 24 LYS CG C 13 25.0700 0.4 . 1 . . . A 24 LYS CG . 26060 1 227 . 1 1 24 24 LYS CD C 13 28.6500 0.4 . 1 . . . A 24 LYS CD . 26060 1 228 . 1 1 24 24 LYS CE C 13 41.8500 0.4 . 1 . . . A 24 LYS CE . 26060 1 229 . 1 1 25 25 LYS H H 1 7.7200 0.04 . 1 . . . A 25 LYS H . 26060 1 230 . 1 1 25 25 LYS HA H 1 4.8300 0.04 . 1 . . . A 25 LYS HA . 26060 1 231 . 1 1 25 25 LYS HB2 H 1 1.6800 0.04 . 2 . . . A 25 LYS HB2 . 26060 1 232 . 1 1 25 25 LYS HB3 H 1 1.7800 0.04 . 2 . . . A 25 LYS HB3 . 26060 1 233 . 1 1 25 25 LYS HG3 H 1 1.4500 0.04 . 2 . . . A 25 LYS HG3 . 26060 1 234 . 1 1 25 25 LYS HD3 H 1 1.6900 0.04 . 2 . . . A 25 LYS HD3 . 26060 1 235 . 1 1 25 25 LYS HE3 H 1 3.0100 0.04 . 2 . . . A 25 LYS HE3 . 26060 1 236 . 1 1 25 25 LYS CA C 13 52.9600 0.4 . 1 . . . A 25 LYS CA . 26060 1 237 . 1 1 25 25 LYS CB C 13 35.0800 0.4 . 1 . . . A 25 LYS CB . 26060 1 238 . 1 1 25 25 LYS CG C 13 24.3700 0.4 . 1 . . . A 25 LYS CG . 26060 1 239 . 1 1 25 25 LYS CD C 13 29.4400 0.4 . 1 . . . A 25 LYS CD . 26060 1 240 . 1 1 25 25 LYS CE C 13 41.8800 0.4 . 1 . . . A 25 LYS CE . 26060 1 241 . 1 1 25 25 LYS N N 15 115.8700 0.4 . 1 . . . A 25 LYS N . 26060 1 242 . 1 1 26 26 PRO HA H 1 4.8300 0.04 . 1 . . . A 26 PRO HA . 26060 1 243 . 1 1 26 26 PRO HB2 H 1 1.8900 0.04 . 2 . . . A 26 PRO HB2 . 26060 1 244 . 1 1 26 26 PRO HB3 H 1 2.0500 0.04 . 2 . . . A 26 PRO HB3 . 26060 1 245 . 1 1 26 26 PRO HG3 H 1 2.0500 0.04 . 2 . . . A 26 PRO HG3 . 26060 1 246 . 1 1 26 26 PRO HD2 H 1 3.6600 0.04 . 2 . . . A 26 PRO HD2 . 26060 1 247 . 1 1 26 26 PRO HD3 H 1 3.8100 0.04 . 2 . . . A 26 PRO HD3 . 26060 1 248 . 1 1 26 26 PRO C C 13 177.4000 0.4 . 1 . . . A 26 PRO C . 26060 1 249 . 1 1 26 26 PRO CA C 13 62.6500 0.4 . 1 . . . A 26 PRO CA . 26060 1 250 . 1 1 26 26 PRO CB C 13 32.3900 0.4 . 1 . . . A 26 PRO CB . 26060 1 251 . 1 1 26 26 PRO CG C 13 27.3200 0.4 . 1 . . . A 26 PRO CG . 26060 1 252 . 1 1 26 26 PRO CD C 13 51.2300 0.4 . 1 . . . A 26 PRO CD . 26060 1 253 . 1 1 27 27 THR H H 1 8.3800 0.04 . 1 . . . A 27 THR H . 26060 1 254 . 1 1 27 27 THR HA H 1 4.5300 0.04 . 1 . . . A 27 THR HA . 26060 1 255 . 1 1 27 27 THR HB H 1 4.9000 0.04 . 1 . . . A 27 THR HB . 26060 1 256 . 1 1 27 27 THR HG1 H 1 5.5700 0.04 . 1 . . . A 27 THR HG1 . 26060 1 257 . 1 1 27 27 THR HG21 H 1 1.5100 0.04 . 1 . . . A 27 THR HG21 . 26060 1 258 . 1 1 27 27 THR HG22 H 1 1.5100 0.04 . 1 . . . A 27 THR HG22 . 26060 1 259 . 1 1 27 27 THR HG23 H 1 1.5100 0.04 . 1 . . . A 27 THR HG23 . 26060 1 260 . 1 1 27 27 THR C C 13 177.3000 0.4 . 1 . . . A 27 THR C . 26060 1 261 . 1 1 27 27 THR CA C 13 61.3000 0.4 . 1 . . . A 27 THR CA . 26060 1 262 . 1 1 27 27 THR CB C 13 71.4600 0.4 . 1 . . . A 27 THR CB . 26060 1 263 . 1 1 27 27 THR CG2 C 13 21.4000 0.4 . 1 . . . A 27 THR CG2 . 26060 1 264 . 1 1 27 27 THR N N 15 111.2700 0.4 . 1 . . . A 27 THR N . 26060 1 265 . 1 1 28 28 VAL H H 1 8.9100 0.04 . 1 . . . A 28 VAL H . 26060 1 266 . 1 1 28 28 VAL HA H 1 3.8830 0.04 . 1 . . . A 28 VAL HA . 26060 1 267 . 1 1 28 28 VAL HB H 1 2.1060 0.04 . 1 . . . A 28 VAL HB . 26060 1 268 . 1 1 28 28 VAL HG11 H 1 0.9700 0.04 . 2 . . . A 28 VAL HG11 . 26060 1 269 . 1 1 28 28 VAL HG12 H 1 0.9700 0.04 . 2 . . . A 28 VAL HG12 . 26060 1 270 . 1 1 28 28 VAL HG13 H 1 0.9700 0.04 . 2 . . . A 28 VAL HG13 . 26060 1 271 . 1 1 28 28 VAL HG21 H 1 0.9500 0.04 . 2 . . . A 28 VAL HG21 . 26060 1 272 . 1 1 28 28 VAL HG22 H 1 0.9500 0.04 . 2 . . . A 28 VAL HG22 . 26060 1 273 . 1 1 28 28 VAL HG23 H 1 0.9500 0.04 . 2 . . . A 28 VAL HG23 . 26060 1 274 . 1 1 28 28 VAL C C 13 177.0300 0.4 . 1 . . . A 28 VAL C . 26060 1 275 . 1 1 28 28 VAL CA C 13 65.2000 0.4 . 1 . . . A 28 VAL CA . 26060 1 276 . 1 1 28 28 VAL CB C 13 31.4000 0.4 . 1 . . . A 28 VAL CB . 26060 1 277 . 1 1 28 28 VAL CG1 C 13 20.6000 0.4 . 1 . . . A 28 VAL CG1 . 26060 1 278 . 1 1 28 28 VAL CG2 C 13 20.2000 0.4 . 1 . . . A 28 VAL CG2 . 26060 1 279 . 1 1 28 28 VAL N N 15 121.1700 0.4 . 1 . . . A 28 VAL N . 26060 1 280 . 1 1 29 29 GLU H H 1 7.9900 0.04 . 1 . . . A 29 GLU H . 26060 1 281 . 1 1 29 29 GLU HA H 1 3.9200 0.04 . 1 . . . A 29 GLU HA . 26060 1 282 . 1 1 29 29 GLU HB2 H 1 0.2300 0.04 . 2 . . . A 29 GLU HB2 . 26060 1 283 . 1 1 29 29 GLU HB3 H 1 1.4400 0.04 . 2 . . . A 29 GLU HB3 . 26060 1 284 . 1 1 29 29 GLU HG2 H 1 1.9200 0.04 . 2 . . . A 29 GLU HG2 . 26060 1 285 . 1 1 29 29 GLU HG3 H 1 2.0600 0.04 . 2 . . . A 29 GLU HG3 . 26060 1 286 . 1 1 29 29 GLU C C 13 176.2000 0.4 . 1 . . . A 29 GLU C . 26060 1 287 . 1 1 29 29 GLU CA C 13 57.2500 0.4 . 1 . . . A 29 GLU CA . 26060 1 288 . 1 1 29 29 GLU CB C 13 28.1700 0.4 . 1 . . . A 29 GLU CB . 26060 1 289 . 1 1 29 29 GLU CG C 13 35.8000 0.4 . 1 . . . A 29 GLU CG . 26060 1 290 . 1 1 29 29 GLU N N 15 116.8000 0.4 . 1 . . . A 29 GLU N . 26060 1 291 . 1 1 30 30 GLY H H 1 7.9500 0.04 . 1 . . . A 30 GLY H . 26060 1 292 . 1 1 30 30 GLY HA2 H 1 3.4900 0.04 . 2 . . . A 30 GLY HA2 . 26060 1 293 . 1 1 30 30 GLY HA3 H 1 4.1600 0.04 . 2 . . . A 30 GLY HA3 . 26060 1 294 . 1 1 30 30 GLY C C 13 174.9000 0.4 . 1 . . . A 30 GLY C . 26060 1 295 . 1 1 30 30 GLY CA C 13 44.4600 0.4 . 1 . . . A 30 GLY CA . 26060 1 296 . 1 1 30 30 GLY N N 15 105.5000 0.4 . 1 . . . A 30 GLY N . 26060 1 297 . 1 1 31 31 PHE H H 1 7.5200 0.04 . 1 . . . A 31 PHE H . 26060 1 298 . 1 1 31 31 PHE HA H 1 4.7600 0.04 . 1 . . . A 31 PHE HA . 26060 1 299 . 1 1 31 31 PHE HB2 H 1 3.2800 0.04 . 2 . . . A 31 PHE HB2 . 26060 1 300 . 1 1 31 31 PHE HB3 H 1 3.4900 0.04 . 2 . . . A 31 PHE HB3 . 26060 1 301 . 1 1 31 31 PHE HD1 H 1 7.0900 0.04 . 3 . . . A 31 PHE HD1 . 26060 1 302 . 1 1 31 31 PHE HD2 H 1 7.0900 0.04 . 3 . . . A 31 PHE HD2 . 26060 1 303 . 1 1 31 31 PHE HE1 H 1 7.3300 0.04 . 3 . . . A 31 PHE HE1 . 26060 1 304 . 1 1 31 31 PHE HE2 H 1 7.3300 0.04 . 3 . . . A 31 PHE HE2 . 26060 1 305 . 1 1 31 31 PHE C C 13 176.4000 0.4 . 1 . . . A 31 PHE C . 26060 1 306 . 1 1 31 31 PHE CA C 13 55.9000 0.4 . 1 . . . A 31 PHE CA . 26060 1 307 . 1 1 31 31 PHE CB C 13 35.5000 0.4 . 1 . . . A 31 PHE CB . 26060 1 308 . 1 1 31 31 PHE CD1 C 13 130.5500 0.4 . 2 . . . A 31 PHE CD1 . 26060 1 309 . 1 1 31 31 PHE CD2 C 13 130.5500 0.4 . 2 . . . A 31 PHE CD2 . 26060 1 310 . 1 1 31 31 PHE CE1 C 13 131.1600 0.4 . 2 . . . A 31 PHE CE1 . 26060 1 311 . 1 1 31 31 PHE CE2 C 13 131.1600 0.4 . 2 . . . A 31 PHE CE2 . 26060 1 312 . 1 1 31 31 PHE N N 15 119.3000 0.4 . 1 . . . A 31 PHE N . 26060 1 313 . 1 1 32 32 THR H H 1 7.7700 0.04 . 1 . . . A 32 THR H . 26060 1 314 . 1 1 32 32 THR HA H 1 4.3300 0.04 . 1 . . . A 32 THR HA . 26060 1 315 . 1 1 32 32 THR HB H 1 4.5200 0.04 . 1 . . . A 32 THR HB . 26060 1 316 . 1 1 32 32 THR HG21 H 1 1.4500 0.04 . 1 . . . A 32 THR HG21 . 26060 1 317 . 1 1 32 32 THR HG22 H 1 1.4500 0.04 . 1 . . . A 32 THR HG22 . 26060 1 318 . 1 1 32 32 THR HG23 H 1 1.4500 0.04 . 1 . . . A 32 THR HG23 . 26060 1 319 . 1 1 32 32 THR C C 13 175.2000 0.4 . 1 . . . A 32 THR C . 26060 1 320 . 1 1 32 32 THR CA C 13 62.7800 0.4 . 1 . . . A 32 THR CA . 26060 1 321 . 1 1 32 32 THR CB C 13 70.3500 0.4 . 1 . . . A 32 THR CB . 26060 1 322 . 1 1 32 32 THR CG2 C 13 21.7100 0.4 . 1 . . . A 32 THR CG2 . 26060 1 323 . 1 1 32 32 THR N N 15 112.3000 0.4 . 1 . . . A 32 THR N . 26060 1 324 . 1 1 33 33 HIS H H 1 9.1100 0.04 . 1 . . . A 33 HIS H . 26060 1 325 . 1 1 33 33 HIS HA H 1 5.5000 0.04 . 1 . . . A 33 HIS HA . 26060 1 326 . 1 1 33 33 HIS HB2 H 1 2.7800 0.04 . 2 . . . A 33 HIS HB2 . 26060 1 327 . 1 1 33 33 HIS HB3 H 1 2.8100 0.04 . 2 . . . A 33 HIS HB3 . 26060 1 328 . 1 1 33 33 HIS HD2 H 1 6.8400 0.04 . 1 . . . A 33 HIS HD2 . 26060 1 329 . 1 1 33 33 HIS HE1 H 1 7.7800 0.04 . 1 . . . A 33 HIS HE1 . 26060 1 330 . 1 1 33 33 HIS C C 13 173.8800 0.4 . 1 . . . A 33 HIS C . 26060 1 331 . 1 1 33 33 HIS CA C 13 56.7800 0.4 . 1 . . . A 33 HIS CA . 26060 1 332 . 1 1 33 33 HIS CB C 13 35.6400 0.4 . 1 . . . A 33 HIS CB . 26060 1 333 . 1 1 33 33 HIS CE1 C 13 138.6600 0.4 . 1 . . . A 33 HIS CE1 . 26060 1 334 . 1 1 33 33 HIS N N 15 121.9000 0.4 . 1 . . . A 33 HIS N . 26060 1 335 . 1 1 34 34 ASP H H 1 8.8100 0.04 . 1 . . . A 34 ASP H . 26060 1 336 . 1 1 34 34 ASP HA H 1 5.4000 0.04 . 1 . . . A 34 ASP HA . 26060 1 337 . 1 1 34 34 ASP HB2 H 1 2.5500 0.04 . 2 . . . A 34 ASP HB2 . 26060 1 338 . 1 1 34 34 ASP HB3 H 1 2.9200 0.04 . 2 . . . A 34 ASP HB3 . 26060 1 339 . 1 1 34 34 ASP C C 13 175.1000 0.4 . 1 . . . A 34 ASP C . 26060 1 340 . 1 1 34 34 ASP CA C 13 53.3100 0.4 . 1 . . . A 34 ASP CA . 26060 1 341 . 1 1 34 34 ASP CB C 13 43.1000 0.4 . 1 . . . A 34 ASP CB . 26060 1 342 . 1 1 34 34 ASP N N 15 120.3000 0.4 . 1 . . . A 34 ASP N . 26060 1 343 . 1 1 35 35 TRP H H 1 9.2500 0.04 . 1 . . . A 35 TRP H . 26060 1 344 . 1 1 35 35 TRP HA H 1 5.7300 0.04 . 1 . . . A 35 TRP HA . 26060 1 345 . 1 1 35 35 TRP HB2 H 1 3.1000 0.04 . 2 . . . A 35 TRP HB2 . 26060 1 346 . 1 1 35 35 TRP HB3 H 1 3.4200 0.04 . 2 . . . A 35 TRP HB3 . 26060 1 347 . 1 1 35 35 TRP HD1 H 1 6.4500 0.04 . 1 . . . A 35 TRP HD1 . 26060 1 348 . 1 1 35 35 TRP HE1 H 1 10.3300 0.04 . 1 . . . A 35 TRP HE1 . 26060 1 349 . 1 1 35 35 TRP HE3 H 1 7.1300 0.04 . 1 . . . A 35 TRP HE3 . 26060 1 350 . 1 1 35 35 TRP HZ2 H 1 7.1900 0.04 . 1 . . . A 35 TRP HZ2 . 26060 1 351 . 1 1 35 35 TRP HZ3 H 1 6.5300 0.04 . 1 . . . A 35 TRP HZ3 . 26060 1 352 . 1 1 35 35 TRP HH2 H 1 6.4900 0.04 . 1 . . . A 35 TRP HH2 . 26060 1 353 . 1 1 35 35 TRP C C 13 174.9000 0.4 . 1 . . . A 35 TRP C . 26060 1 354 . 1 1 35 35 TRP CA C 13 54.9000 0.4 . 1 . . . A 35 TRP CA . 26060 1 355 . 1 1 35 35 TRP CB C 13 35.0700 0.4 . 1 . . . A 35 TRP CB . 26060 1 356 . 1 1 35 35 TRP CD1 C 13 127.1300 0.4 . 1 . . . A 35 TRP CD1 . 26060 1 357 . 1 1 35 35 TRP CE3 C 13 121.4000 0.4 . 1 . . . A 35 TRP CE3 . 26060 1 358 . 1 1 35 35 TRP CZ2 C 13 114.8800 0.4 . 1 . . . A 35 TRP CZ2 . 26060 1 359 . 1 1 35 35 TRP CZ3 C 13 120.8000 0.4 . 1 . . . A 35 TRP CZ3 . 26060 1 360 . 1 1 35 35 TRP CH2 C 13 122.4300 0.4 . 1 . . . A 35 TRP CH2 . 26060 1 361 . 1 1 35 35 TRP N N 15 119.8000 0.4 . 1 . . . A 35 TRP N . 26060 1 362 . 1 1 35 35 TRP NE1 N 15 127.4400 0.4 . 1 . . . A 35 TRP NE1 . 26060 1 363 . 1 1 36 36 MET H H 1 9.0800 0.04 . 1 . . . A 36 MET H . 26060 1 364 . 1 1 36 36 MET HA H 1 5.7500 0.04 . 1 . . . A 36 MET HA . 26060 1 365 . 1 1 36 36 MET HB2 H 1 2.1400 0.04 . 2 . . . A 36 MET HB2 . 26060 1 366 . 1 1 36 36 MET HB3 H 1 2.2000 0.04 . 2 . . . A 36 MET HB3 . 26060 1 367 . 1 1 36 36 MET HG2 H 1 2.4500 0.04 . 2 . . . A 36 MET HG2 . 26060 1 368 . 1 1 36 36 MET HG3 H 1 2.7000 0.04 . 2 . . . A 36 MET HG3 . 26060 1 369 . 1 1 36 36 MET HE1 H 1 2.0300 0.04 . 1 . . . A 36 MET HE1 . 26060 1 370 . 1 1 36 36 MET HE2 H 1 2.0300 0.04 . 1 . . . A 36 MET HE2 . 26060 1 371 . 1 1 36 36 MET HE3 H 1 2.0300 0.04 . 1 . . . A 36 MET HE3 . 26060 1 372 . 1 1 36 36 MET C C 13 173.7000 0.4 . 1 . . . A 36 MET C . 26060 1 373 . 1 1 36 36 MET CA C 13 54.8300 0.4 . 1 . . . A 36 MET CA . 26060 1 374 . 1 1 36 36 MET CB C 13 35.2200 0.4 . 1 . . . A 36 MET CB . 26060 1 375 . 1 1 36 36 MET CG C 13 31.6100 0.4 . 1 . . . A 36 MET CG . 26060 1 376 . 1 1 36 36 MET CE C 13 16.9000 0.4 . 1 . . . A 36 MET CE . 26060 1 377 . 1 1 36 36 MET N N 15 120.9800 0.4 . 1 . . . A 36 MET N . 26060 1 378 . 1 1 37 37 VAL H H 1 9.0800 0.04 . 1 . . . A 37 VAL H . 26060 1 379 . 1 1 37 37 VAL HA H 1 5.3100 0.04 . 1 . . . A 37 VAL HA . 26060 1 380 . 1 1 37 37 VAL HB H 1 1.6100 0.04 . 1 . . . A 37 VAL HB . 26060 1 381 . 1 1 37 37 VAL HG11 H 1 0.5900 0.04 . 2 . . . A 37 VAL HG11 . 26060 1 382 . 1 1 37 37 VAL HG12 H 1 0.5900 0.04 . 2 . . . A 37 VAL HG12 . 26060 1 383 . 1 1 37 37 VAL HG13 H 1 0.5900 0.04 . 2 . . . A 37 VAL HG13 . 26060 1 384 . 1 1 37 37 VAL HG21 H 1 0.7300 0.04 . 2 . . . A 37 VAL HG21 . 26060 1 385 . 1 1 37 37 VAL HG22 H 1 0.7300 0.04 . 2 . . . A 37 VAL HG22 . 26060 1 386 . 1 1 37 37 VAL HG23 H 1 0.7300 0.04 . 2 . . . A 37 VAL HG23 . 26060 1 387 . 1 1 37 37 VAL C C 13 172.3000 0.4 . 1 . . . A 37 VAL C . 26060 1 388 . 1 1 37 37 VAL CA C 13 58.5400 0.4 . 1 . . . A 37 VAL CA . 26060 1 389 . 1 1 37 37 VAL CB C 13 35.0700 0.4 . 1 . . . A 37 VAL CB . 26060 1 390 . 1 1 37 37 VAL CG1 C 13 21.4000 0.4 . 1 . . . A 37 VAL CG1 . 26060 1 391 . 1 1 37 37 VAL CG2 C 13 20.3200 0.4 . 1 . . . A 37 VAL CG2 . 26060 1 392 . 1 1 37 37 VAL N N 15 126.2200 0.4 . 1 . . . A 37 VAL N . 26060 1 393 . 1 1 38 38 PHE H H 1 8.3200 0.04 . 1 . . . A 38 PHE H . 26060 1 394 . 1 1 38 38 PHE HA H 1 5.9700 0.04 . 1 . . . A 38 PHE HA . 26060 1 395 . 1 1 38 38 PHE HB2 H 1 2.9500 0.04 . 2 . . . A 38 PHE HB2 . 26060 1 396 . 1 1 38 38 PHE HB3 H 1 3.0900 0.04 . 2 . . . A 38 PHE HB3 . 26060 1 397 . 1 1 38 38 PHE HD1 H 1 6.8000 0.04 . 3 . . . A 38 PHE HD1 . 26060 1 398 . 1 1 38 38 PHE HD2 H 1 6.8000 0.04 . 3 . . . A 38 PHE HD2 . 26060 1 399 . 1 1 38 38 PHE HE1 H 1 6.9000 0.04 . 3 . . . A 38 PHE HE1 . 26060 1 400 . 1 1 38 38 PHE HE2 H 1 6.9000 0.04 . 3 . . . A 38 PHE HE2 . 26060 1 401 . 1 1 38 38 PHE HZ H 1 7.1700 0.04 . 1 . . . A 38 PHE HZ . 26060 1 402 . 1 1 38 38 PHE C C 13 172.9600 0.4 . 1 . . . A 38 PHE C . 26060 1 403 . 1 1 38 38 PHE CA C 13 56.1300 0.4 . 1 . . . A 38 PHE CA . 26060 1 404 . 1 1 38 38 PHE CB C 13 43.0000 0.4 . 1 . . . A 38 PHE CB . 26060 1 405 . 1 1 38 38 PHE CD1 C 13 132.5000 0.4 . 2 . . . A 38 PHE CD1 . 26060 1 406 . 1 1 38 38 PHE CD2 C 13 132.5000 0.4 . 2 . . . A 38 PHE CD2 . 26060 1 407 . 1 1 38 38 PHE CE1 C 13 129.5000 0.4 . 2 . . . A 38 PHE CE1 . 26060 1 408 . 1 1 38 38 PHE CE2 C 13 129.5000 0.4 . 2 . . . A 38 PHE CE2 . 26060 1 409 . 1 1 38 38 PHE CZ C 13 129.8000 0.4 . 1 . . . A 38 PHE CZ . 26060 1 410 . 1 1 38 38 PHE N N 15 120.6400 0.4 . 1 . . . A 38 PHE N . 26060 1 411 . 1 1 39 39 VAL H H 1 8.5800 0.04 . 1 . . . A 39 VAL H . 26060 1 412 . 1 1 39 39 VAL HA H 1 5.0100 0.04 . 1 . . . A 39 VAL HA . 26060 1 413 . 1 1 39 39 VAL HB H 1 1.9300 0.04 . 1 . . . A 39 VAL HB . 26060 1 414 . 1 1 39 39 VAL HG11 H 1 0.9140 0.04 . 2 . . . A 39 VAL HG11 . 26060 1 415 . 1 1 39 39 VAL HG12 H 1 0.9140 0.04 . 2 . . . A 39 VAL HG12 . 26060 1 416 . 1 1 39 39 VAL HG13 H 1 0.9140 0.04 . 2 . . . A 39 VAL HG13 . 26060 1 417 . 1 1 39 39 VAL HG21 H 1 0.8000 0.04 . 2 . . . A 39 VAL HG21 . 26060 1 418 . 1 1 39 39 VAL HG22 H 1 0.8000 0.04 . 2 . . . A 39 VAL HG22 . 26060 1 419 . 1 1 39 39 VAL HG23 H 1 0.8000 0.04 . 2 . . . A 39 VAL HG23 . 26060 1 420 . 1 1 39 39 VAL C C 13 174.7000 0.4 . 1 . . . A 39 VAL C . 26060 1 421 . 1 1 39 39 VAL CA C 13 61.6400 0.4 . 1 . . . A 39 VAL CA . 26060 1 422 . 1 1 39 39 VAL CB C 13 35.4000 0.4 . 1 . . . A 39 VAL CB . 26060 1 423 . 1 1 39 39 VAL CG1 C 13 22.7400 0.4 . 1 . . . A 39 VAL CG1 . 26060 1 424 . 1 1 39 39 VAL CG2 C 13 20.9000 0.4 . 1 . . . A 39 VAL CG2 . 26060 1 425 . 1 1 39 39 VAL N N 15 116.5000 0.4 . 1 . . . A 39 VAL N . 26060 1 426 . 1 1 40 40 ARG H H 1 9.8800 0.04 . 1 . . . A 40 ARG H . 26060 1 427 . 1 1 40 40 ARG HA H 1 5.0800 0.04 . 1 . . . A 40 ARG HA . 26060 1 428 . 1 1 40 40 ARG HB2 H 1 1.8800 0.04 . 2 . . . A 40 ARG HB2 . 26060 1 429 . 1 1 40 40 ARG HB3 H 1 2.2300 0.04 . 2 . . . A 40 ARG HB3 . 26060 1 430 . 1 1 40 40 ARG HG2 H 1 1.7200 0.04 . 2 . . . A 40 ARG HG2 . 26060 1 431 . 1 1 40 40 ARG HG3 H 1 1.8100 0.04 . 2 . . . A 40 ARG HG3 . 26060 1 432 . 1 1 40 40 ARG HD2 H 1 2.6900 0.04 . 2 . . . A 40 ARG HD2 . 26060 1 433 . 1 1 40 40 ARG HD3 H 1 2.8600 0.04 . 2 . . . A 40 ARG HD3 . 26060 1 434 . 1 1 40 40 ARG C C 13 173.8000 0.4 . 1 . . . A 40 ARG C . 26060 1 435 . 1 1 40 40 ARG CA C 13 54.9300 0.4 . 1 . . . A 40 ARG CA . 26060 1 436 . 1 1 40 40 ARG CB C 13 33.5800 0.4 . 1 . . . A 40 ARG CB . 26060 1 437 . 1 1 40 40 ARG CG C 13 26.0400 0.4 . 1 . . . A 40 ARG CG . 26060 1 438 . 1 1 40 40 ARG CD C 13 43.3800 0.4 . 1 . . . A 40 ARG CD . 26060 1 439 . 1 1 40 40 ARG N N 15 124.1000 0.4 . 1 . . . A 40 ARG N . 26060 1 440 . 1 1 41 41 GLY H H 1 8.9100 0.04 . 1 . . . A 41 GLY H . 26060 1 441 . 1 1 41 41 GLY HA2 H 1 3.8700 0.04 . 2 . . . A 41 GLY HA2 . 26060 1 442 . 1 1 41 41 GLY HA3 H 1 4.7900 0.04 . 2 . . . A 41 GLY HA3 . 26060 1 443 . 1 1 41 41 GLY CA C 13 43.9700 0.4 . 1 . . . A 41 GLY CA . 26060 1 444 . 1 1 41 41 GLY N N 15 107.6400 0.4 . 1 . . . A 41 GLY N . 26060 1 445 . 1 1 42 42 PRO HA H 1 4.4900 0.04 . 1 . . . A 42 PRO HA . 26060 1 446 . 1 1 42 42 PRO HB2 H 1 1.9600 0.04 . 2 . . . A 42 PRO HB2 . 26060 1 447 . 1 1 42 42 PRO HB3 H 1 2.3300 0.04 . 2 . . . A 42 PRO HB3 . 26060 1 448 . 1 1 42 42 PRO HG2 H 1 1.9500 0.04 . 2 . . . A 42 PRO HG2 . 26060 1 449 . 1 1 42 42 PRO HG3 H 1 2.1000 0.04 . 2 . . . A 42 PRO HG3 . 26060 1 450 . 1 1 42 42 PRO HD2 H 1 3.6300 0.04 . 2 . . . A 42 PRO HD2 . 26060 1 451 . 1 1 42 42 PRO HD3 H 1 3.6800 0.04 . 2 . . . A 42 PRO HD3 . 26060 1 452 . 1 1 42 42 PRO C C 13 177.3000 0.4 . 1 . . . A 42 PRO C . 26060 1 453 . 1 1 42 42 PRO CA C 13 62.4400 0.4 . 1 . . . A 42 PRO CA . 26060 1 454 . 1 1 42 42 PRO CB C 13 32.1100 0.4 . 1 . . . A 42 PRO CB . 26060 1 455 . 1 1 42 42 PRO CG C 13 28.0700 0.4 . 1 . . . A 42 PRO CG . 26060 1 456 . 1 1 42 42 PRO CD C 13 50.1600 0.4 . 1 . . . A 42 PRO CD . 26060 1 457 . 1 1 43 43 GLU H H 1 9.0600 0.04 . 1 . . . A 43 GLU H . 26060 1 458 . 1 1 43 43 GLU HA H 1 3.7900 0.04 . 1 . . . A 43 GLU HA . 26060 1 459 . 1 1 43 43 GLU HB3 H 1 1.9300 0.04 . 2 . . . A 43 GLU HB3 . 26060 1 460 . 1 1 43 43 GLU HG2 H 1 1.9600 0.04 . 2 . . . A 43 GLU HG2 . 26060 1 461 . 1 1 43 43 GLU HG3 H 1 2.1000 0.04 . 2 . . . A 43 GLU HG3 . 26060 1 462 . 1 1 43 43 GLU C C 13 176.1100 0.4 . 1 . . . A 43 GLU C . 26060 1 463 . 1 1 43 43 GLU CA C 13 57.8500 0.4 . 1 . . . A 43 GLU CA . 26060 1 464 . 1 1 43 43 GLU CB C 13 27.8500 0.4 . 1 . . . A 43 GLU CB . 26060 1 465 . 1 1 43 43 GLU CG C 13 36.0500 0.4 . 1 . . . A 43 GLU CG . 26060 1 466 . 1 1 43 43 GLU N N 15 121.0500 0.4 . 1 . . . A 43 GLU N . 26060 1 467 . 1 1 44 44 HIS H H 1 8.4200 0.04 . 1 . . . A 44 HIS H . 26060 1 468 . 1 1 44 44 HIS HA H 1 4.3510 0.04 . 1 . . . A 44 HIS HA . 26060 1 469 . 1 1 44 44 HIS HB2 H 1 3.3200 0.04 . 2 . . . A 44 HIS HB2 . 26060 1 470 . 1 1 44 44 HIS HB3 H 1 3.3900 0.04 . 2 . . . A 44 HIS HB3 . 26060 1 471 . 1 1 44 44 HIS HD2 H 1 6.9900 0.04 . 1 . . . A 44 HIS HD2 . 26060 1 472 . 1 1 44 44 HIS C C 13 175.1700 0.4 . 1 . . . A 44 HIS C . 26060 1 473 . 1 1 44 44 HIS CA C 13 57.6500 0.4 . 1 . . . A 44 HIS CA . 26060 1 474 . 1 1 44 44 HIS CB C 13 28.3700 0.4 . 1 . . . A 44 HIS CB . 26060 1 475 . 1 1 44 44 HIS CD2 C 13 120.1900 0.4 . 1 . . . A 44 HIS CD2 . 26060 1 476 . 1 1 44 44 HIS N N 15 114.1000 0.4 . 1 . . . A 44 HIS N . 26060 1 477 . 1 1 45 45 SER H H 1 7.8700 0.04 . 1 . . . A 45 SER H . 26060 1 478 . 1 1 45 45 SER HA H 1 4.5600 0.04 . 1 . . . A 45 SER HA . 26060 1 479 . 1 1 45 45 SER HB2 H 1 3.9500 0.04 . 2 . . . A 45 SER HB2 . 26060 1 480 . 1 1 45 45 SER HB3 H 1 4.0100 0.04 . 2 . . . A 45 SER HB3 . 26060 1 481 . 1 1 45 45 SER C C 13 173.7000 0.4 . 1 . . . A 45 SER C . 26060 1 482 . 1 1 45 45 SER CA C 13 58.7100 0.4 . 1 . . . A 45 SER CA . 26060 1 483 . 1 1 45 45 SER CB C 13 65.0400 0.4 . 1 . . . A 45 SER CB . 26060 1 484 . 1 1 45 45 SER N N 15 115.5400 0.4 . 1 . . . A 45 SER N . 26060 1 485 . 1 1 46 46 ASN H H 1 9.4800 0.04 . 1 . . . A 46 ASN H . 26060 1 486 . 1 1 46 46 ASN HA H 1 5.1200 0.04 . 1 . . . A 46 ASN HA . 26060 1 487 . 1 1 46 46 ASN HB2 H 1 2.8400 0.04 . 2 . . . A 46 ASN HB2 . 26060 1 488 . 1 1 46 46 ASN HB3 H 1 2.9000 0.04 . 2 . . . A 46 ASN HB3 . 26060 1 489 . 1 1 46 46 ASN HD21 H 1 7.6800 0.04 . 2 . . . A 46 ASN HD21 . 26060 1 490 . 1 1 46 46 ASN HD22 H 1 7.0100 0.04 . 2 . . . A 46 ASN HD22 . 26060 1 491 . 1 1 46 46 ASN C C 13 176.3000 0.4 . 1 . . . A 46 ASN C . 26060 1 492 . 1 1 46 46 ASN CA C 13 52.6900 0.4 . 1 . . . A 46 ASN CA . 26060 1 493 . 1 1 46 46 ASN CB C 13 38.7300 0.4 . 1 . . . A 46 ASN CB . 26060 1 494 . 1 1 46 46 ASN N N 15 123.9000 0.4 . 1 . . . A 46 ASN N . 26060 1 495 . 1 1 46 46 ASN ND2 N 15 113.2000 0.4 . 1 . . . A 46 ASN ND2 . 26060 1 496 . 1 1 47 47 ILE H H 1 8.1700 0.04 . 1 . . . A 47 ILE H . 26060 1 497 . 1 1 47 47 ILE HA H 1 3.9400 0.04 . 1 . . . A 47 ILE HA . 26060 1 498 . 1 1 47 47 ILE HB H 1 1.5400 0.04 . 1 . . . A 47 ILE HB . 26060 1 499 . 1 1 47 47 ILE HG12 H 1 1.1900 0.04 . 1 . . . A 47 ILE HG12 . 26060 1 500 . 1 1 47 47 ILE HG13 H 1 1.4100 0.04 . 1 . . . A 47 ILE HG13 . 26060 1 501 . 1 1 47 47 ILE HG21 H 1 1.0700 0.04 . 1 . . . A 47 ILE HG21 . 26060 1 502 . 1 1 47 47 ILE HG22 H 1 1.0700 0.04 . 1 . . . A 47 ILE HG22 . 26060 1 503 . 1 1 47 47 ILE HG23 H 1 1.0700 0.04 . 1 . . . A 47 ILE HG23 . 26060 1 504 . 1 1 47 47 ILE HD11 H 1 0.6500 0.04 . 1 . . . A 47 ILE HD11 . 26060 1 505 . 1 1 47 47 ILE HD12 H 1 0.6500 0.04 . 1 . . . A 47 ILE HD12 . 26060 1 506 . 1 1 47 47 ILE HD13 H 1 0.6500 0.04 . 1 . . . A 47 ILE HD13 . 26060 1 507 . 1 1 47 47 ILE C C 13 176.0000 0.4 . 1 . . . A 47 ILE C . 26060 1 508 . 1 1 47 47 ILE CA C 13 63.2000 0.4 . 1 . . . A 47 ILE CA . 26060 1 509 . 1 1 47 47 ILE CB C 13 36.7000 0.4 . 1 . . . A 47 ILE CB . 26060 1 510 . 1 1 47 47 ILE CG1 C 13 25.3300 0.4 . 1 . . . A 47 ILE CG1 . 26060 1 511 . 1 1 47 47 ILE CG2 C 13 17.7400 0.4 . 1 . . . A 47 ILE CG2 . 26060 1 512 . 1 1 47 47 ILE CD1 C 13 14.0000 0.4 . 1 . . . A 47 ILE CD1 . 26060 1 513 . 1 1 47 47 ILE N N 15 115.2400 0.4 . 1 . . . A 47 ILE N . 26060 1 514 . 1 1 48 48 GLN H H 1 8.8500 0.04 . 1 . . . A 48 GLN H . 26060 1 515 . 1 1 48 48 GLN HA H 1 4.2800 0.04 . 1 . . . A 48 GLN HA . 26060 1 516 . 1 1 48 48 GLN HB2 H 1 2.0800 0.04 . 2 . . . A 48 GLN HB2 . 26060 1 517 . 1 1 48 48 GLN HB3 H 1 2.1800 0.04 . 2 . . . A 48 GLN HB3 . 26060 1 518 . 1 1 48 48 GLN HG2 H 1 2.0800 0.04 . 2 . . . A 48 GLN HG2 . 26060 1 519 . 1 1 48 48 GLN HG3 H 1 2.4800 0.04 . 2 . . . A 48 GLN HG3 . 26060 1 520 . 1 1 48 48 GLN HE21 H 1 7.6300 0.04 . 2 . . . A 48 GLN HE21 . 26060 1 521 . 1 1 48 48 GLN HE22 H 1 7.0900 0.04 . 2 . . . A 48 GLN HE22 . 26060 1 522 . 1 1 48 48 GLN C C 13 175.6700 0.4 . 1 . . . A 48 GLN C . 26060 1 523 . 1 1 48 48 GLN CA C 13 57.9000 0.4 . 1 . . . A 48 GLN CA . 26060 1 524 . 1 1 48 48 GLN CB C 13 26.9900 0.4 . 1 . . . A 48 GLN CB . 26060 1 525 . 1 1 48 48 GLN CG C 13 32.6500 0.4 . 1 . . . A 48 GLN CG . 26060 1 526 . 1 1 48 48 GLN N N 15 123.2000 0.4 . 1 . . . A 48 GLN N . 26060 1 527 . 1 1 48 48 GLN NE2 N 15 112.2700 0.4 . 1 . . . A 48 GLN NE2 . 26060 1 528 . 1 1 49 49 HIS H H 1 7.4000 0.04 . 1 . . . A 49 HIS H . 26060 1 529 . 1 1 49 49 HIS HA H 1 4.5700 0.04 . 1 . . . A 49 HIS HA . 26060 1 530 . 1 1 49 49 HIS HB2 H 1 3.0300 0.04 . 2 . . . A 49 HIS HB2 . 26060 1 531 . 1 1 49 49 HIS HB3 H 1 3.2700 0.04 . 2 . . . A 49 HIS HB3 . 26060 1 532 . 1 1 49 49 HIS HD2 H 1 7.3680 0.04 . 1 . . . A 49 HIS HD2 . 26060 1 533 . 1 1 49 49 HIS HE1 H 1 7.8600 0.04 . 1 . . . A 49 HIS HE1 . 26060 1 534 . 1 1 49 49 HIS C C 13 176.3800 0.4 . 1 . . . A 49 HIS C . 26060 1 535 . 1 1 49 49 HIS CA C 13 58.7500 0.4 . 1 . . . A 49 HIS CA . 26060 1 536 . 1 1 49 49 HIS CB C 13 31.6200 0.4 . 1 . . . A 49 HIS CB . 26060 1 537 . 1 1 49 49 HIS CD2 C 13 120.6900 0.4 . 1 . . . A 49 HIS CD2 . 26060 1 538 . 1 1 49 49 HIS CE1 C 13 138.8500 0.4 . 1 . . . A 49 HIS CE1 . 26060 1 539 . 1 1 49 49 HIS N N 15 115.4000 0.4 . 1 . . . A 49 HIS N . 26060 1 540 . 1 1 50 50 PHE H H 1 7.5700 0.04 . 1 . . . A 50 PHE H . 26060 1 541 . 1 1 50 50 PHE HA H 1 5.2300 0.04 . 1 . . . A 50 PHE HA . 26060 1 542 . 1 1 50 50 PHE HB2 H 1 2.3100 0.04 . 2 . . . A 50 PHE HB2 . 26060 1 543 . 1 1 50 50 PHE HB3 H 1 3.4600 0.04 . 2 . . . A 50 PHE HB3 . 26060 1 544 . 1 1 50 50 PHE HD1 H 1 7.1700 0.04 . 3 . . . A 50 PHE HD1 . 26060 1 545 . 1 1 50 50 PHE HD2 H 1 7.1700 0.04 . 3 . . . A 50 PHE HD2 . 26060 1 546 . 1 1 50 50 PHE HE1 H 1 7.2800 0.04 . 3 . . . A 50 PHE HE1 . 26060 1 547 . 1 1 50 50 PHE HE2 H 1 7.2800 0.04 . 3 . . . A 50 PHE HE2 . 26060 1 548 . 1 1 50 50 PHE HZ H 1 7.2600 0.04 . 1 . . . A 50 PHE HZ . 26060 1 549 . 1 1 50 50 PHE C C 13 173.8000 0.4 . 1 . . . A 50 PHE C . 26060 1 550 . 1 1 50 50 PHE CA C 13 56.6600 0.4 . 1 . . . A 50 PHE CA . 26060 1 551 . 1 1 50 50 PHE CB C 13 41.0000 0.4 . 1 . . . A 50 PHE CB . 26060 1 552 . 1 1 50 50 PHE CD1 C 13 133.1900 0.4 . 2 . . . A 50 PHE CD1 . 26060 1 553 . 1 1 50 50 PHE CD2 C 13 133.1900 0.4 . 2 . . . A 50 PHE CD2 . 26060 1 554 . 1 1 50 50 PHE CE1 C 13 130.9300 0.4 . 2 . . . A 50 PHE CE1 . 26060 1 555 . 1 1 50 50 PHE CE2 C 13 131.2300 0.4 . 2 . . . A 50 PHE CE2 . 26060 1 556 . 1 1 50 50 PHE CZ C 13 129.9000 0.4 . 1 . . . A 50 PHE CZ . 26060 1 557 . 1 1 50 50 PHE N N 15 109.8000 0.4 . 1 . . . A 50 PHE N . 26060 1 558 . 1 1 51 51 VAL H H 1 7.8100 0.04 . 1 . . . A 51 VAL H . 26060 1 559 . 1 1 51 51 VAL HA H 1 4.3700 0.04 . 1 . . . A 51 VAL HA . 26060 1 560 . 1 1 51 51 VAL HB H 1 1.6200 0.04 . 1 . . . A 51 VAL HB . 26060 1 561 . 1 1 51 51 VAL HG11 H 1 0.3500 0.04 . 2 . . . A 51 VAL HG11 . 26060 1 562 . 1 1 51 51 VAL HG12 H 1 0.3500 0.04 . 2 . . . A 51 VAL HG12 . 26060 1 563 . 1 1 51 51 VAL HG13 H 1 0.3500 0.04 . 2 . . . A 51 VAL HG13 . 26060 1 564 . 1 1 51 51 VAL HG21 H 1 0.3300 0.04 . 2 . . . A 51 VAL HG21 . 26060 1 565 . 1 1 51 51 VAL HG22 H 1 0.3300 0.04 . 2 . . . A 51 VAL HG22 . 26060 1 566 . 1 1 51 51 VAL HG23 H 1 0.3300 0.04 . 2 . . . A 51 VAL HG23 . 26060 1 567 . 1 1 51 51 VAL C C 13 174.5000 0.4 . 1 . . . A 51 VAL C . 26060 1 568 . 1 1 51 51 VAL CA C 13 63.0000 0.4 . 1 . . . A 51 VAL CA . 26060 1 569 . 1 1 51 51 VAL CB C 13 33.2800 0.4 . 1 . . . A 51 VAL CB . 26060 1 570 . 1 1 51 51 VAL CG1 C 13 22.7000 0.4 . 1 . . . A 51 VAL CG1 . 26060 1 571 . 1 1 51 51 VAL CG2 C 13 21.6000 0.4 . 1 . . . A 51 VAL CG2 . 26060 1 572 . 1 1 51 51 VAL N N 15 127.8100 0.4 . 1 . . . A 51 VAL N . 26060 1 573 . 1 1 52 52 GLU H H 1 9.3800 0.04 . 1 . . . A 52 GLU H . 26060 1 574 . 1 1 52 52 GLU HA H 1 3.9800 0.04 . 1 . . . A 52 GLU HA . 26060 1 575 . 1 1 52 52 GLU HB2 H 1 1.6400 0.04 . 2 . . . A 52 GLU HB2 . 26060 1 576 . 1 1 52 52 GLU HB3 H 1 1.7300 0.04 . 2 . . . A 52 GLU HB3 . 26060 1 577 . 1 1 52 52 GLU HG2 H 1 1.9500 0.04 . 2 . . . A 52 GLU HG2 . 26060 1 578 . 1 1 52 52 GLU HG3 H 1 2.1300 0.04 . 2 . . . A 52 GLU HG3 . 26060 1 579 . 1 1 52 52 GLU C C 13 175.4000 0.4 . 1 . . . A 52 GLU C . 26060 1 580 . 1 1 52 52 GLU CA C 13 58.1000 0.4 . 1 . . . A 52 GLU CA . 26060 1 581 . 1 1 52 52 GLU CB C 13 31.5800 0.4 . 1 . . . A 52 GLU CB . 26060 1 582 . 1 1 52 52 GLU CG C 13 35.9000 0.4 . 1 . . . A 52 GLU CG . 26060 1 583 . 1 1 52 52 GLU N N 15 130.7000 0.4 . 1 . . . A 52 GLU N . 26060 1 584 . 1 1 53 53 LYS H H 1 7.1900 0.04 . 1 . . . A 53 LYS H . 26060 1 585 . 1 1 53 53 LYS HA H 1 4.8000 0.04 . 1 . . . A 53 LYS HA . 26060 1 586 . 1 1 53 53 LYS HB2 H 1 1.2600 0.04 . 2 . . . A 53 LYS HB2 . 26060 1 587 . 1 1 53 53 LYS HB3 H 1 2.1100 0.04 . 2 . . . A 53 LYS HB3 . 26060 1 588 . 1 1 53 53 LYS HG2 H 1 0.6600 0.04 . 2 . . . A 53 LYS HG2 . 26060 1 589 . 1 1 53 53 LYS HG3 H 1 0.8600 0.04 . 2 . . . A 53 LYS HG3 . 26060 1 590 . 1 1 53 53 LYS HD3 H 1 1.1100 0.04 . 2 . . . A 53 LYS HD3 . 26060 1 591 . 1 1 53 53 LYS HE2 H 1 1.5400 0.04 . 2 . . . A 53 LYS HE2 . 26060 1 592 . 1 1 53 53 LYS HE3 H 1 1.6200 0.04 . 2 . . . A 53 LYS HE3 . 26060 1 593 . 1 1 53 53 LYS C C 13 172.3000 0.4 . 1 . . . A 53 LYS C . 26060 1 594 . 1 1 53 53 LYS CA C 13 54.8400 0.4 . 1 . . . A 53 LYS CA . 26060 1 595 . 1 1 53 53 LYS CB C 13 34.2500 0.4 . 1 . . . A 53 LYS CB . 26060 1 596 . 1 1 53 53 LYS CG C 13 23.5000 0.4 . 1 . . . A 53 LYS CG . 26060 1 597 . 1 1 53 53 LYS CD C 13 29.8500 0.4 . 1 . . . A 53 LYS CD . 26060 1 598 . 1 1 53 53 LYS CE C 13 40.5000 0.4 . 1 . . . A 53 LYS CE . 26060 1 599 . 1 1 53 53 LYS N N 15 109.2000 0.4 . 1 . . . A 53 LYS N . 26060 1 600 . 1 1 54 54 VAL H H 1 8.4500 0.04 . 1 . . . A 54 VAL H . 26060 1 601 . 1 1 54 54 VAL HA H 1 4.7700 0.04 . 1 . . . A 54 VAL HA . 26060 1 602 . 1 1 54 54 VAL HB H 1 1.5600 0.04 . 1 . . . A 54 VAL HB . 26060 1 603 . 1 1 54 54 VAL HG11 H 1 0.0890 0.04 . 2 . . . A 54 VAL HG11 . 26060 1 604 . 1 1 54 54 VAL HG12 H 1 0.0890 0.04 . 2 . . . A 54 VAL HG12 . 26060 1 605 . 1 1 54 54 VAL HG13 H 1 0.0890 0.04 . 2 . . . A 54 VAL HG13 . 26060 1 606 . 1 1 54 54 VAL HG21 H 1 0.1700 0.04 . 2 . . . A 54 VAL HG21 . 26060 1 607 . 1 1 54 54 VAL HG22 H 1 0.1700 0.04 . 2 . . . A 54 VAL HG22 . 26060 1 608 . 1 1 54 54 VAL HG23 H 1 0.1700 0.04 . 2 . . . A 54 VAL HG23 . 26060 1 609 . 1 1 54 54 VAL C C 13 173.6000 0.4 . 1 . . . A 54 VAL C . 26060 1 610 . 1 1 54 54 VAL CA C 13 61.0400 0.4 . 1 . . . A 54 VAL CA . 26060 1 611 . 1 1 54 54 VAL CB C 13 34.7000 0.4 . 1 . . . A 54 VAL CB . 26060 1 612 . 1 1 54 54 VAL CG1 C 13 22.7000 0.4 . 1 . . . A 54 VAL CG1 . 26060 1 613 . 1 1 54 54 VAL CG2 C 13 22.1900 0.4 . 1 . . . A 54 VAL CG2 . 26060 1 614 . 1 1 54 54 VAL N N 15 120.3800 0.4 . 1 . . . A 54 VAL N . 26060 1 615 . 1 1 55 55 VAL H H 1 9.2600 0.04 . 1 . . . A 55 VAL H . 26060 1 616 . 1 1 55 55 VAL HA H 1 4.7000 0.04 . 1 . . . A 55 VAL HA . 26060 1 617 . 1 1 55 55 VAL HB H 1 2.1500 0.04 . 1 . . . A 55 VAL HB . 26060 1 618 . 1 1 55 55 VAL HG11 H 1 0.8500 0.04 . 2 . . . A 55 VAL HG11 . 26060 1 619 . 1 1 55 55 VAL HG12 H 1 0.8500 0.04 . 2 . . . A 55 VAL HG12 . 26060 1 620 . 1 1 55 55 VAL HG13 H 1 0.8500 0.04 . 2 . . . A 55 VAL HG13 . 26060 1 621 . 1 1 55 55 VAL HG21 H 1 0.3900 0.04 . 2 . . . A 55 VAL HG21 . 26060 1 622 . 1 1 55 55 VAL HG22 H 1 0.3900 0.04 . 2 . . . A 55 VAL HG22 . 26060 1 623 . 1 1 55 55 VAL HG23 H 1 0.3900 0.04 . 2 . . . A 55 VAL HG23 . 26060 1 624 . 1 1 55 55 VAL C C 13 173.8000 0.4 . 1 . . . A 55 VAL C . 26060 1 625 . 1 1 55 55 VAL CA C 13 60.8700 0.4 . 1 . . . A 55 VAL CA . 26060 1 626 . 1 1 55 55 VAL CB C 13 34.1000 0.4 . 1 . . . A 55 VAL CB . 26060 1 627 . 1 1 55 55 VAL CG1 C 13 21.4000 0.4 . 1 . . . A 55 VAL CG1 . 26060 1 628 . 1 1 55 55 VAL CG2 C 13 21.1400 0.4 . 1 . . . A 55 VAL CG2 . 26060 1 629 . 1 1 55 55 VAL N N 15 126.9200 0.4 . 1 . . . A 55 VAL N . 26060 1 630 . 1 1 56 56 PHE H H 1 9.2900 0.04 . 1 . . . A 56 PHE H . 26060 1 631 . 1 1 56 56 PHE HA H 1 4.6900 0.04 . 1 . . . A 56 PHE HA . 26060 1 632 . 1 1 56 56 PHE HB2 H 1 2.7340 0.04 . 2 . . . A 56 PHE HB2 . 26060 1 633 . 1 1 56 56 PHE HB3 H 1 3.0500 0.04 . 2 . . . A 56 PHE HB3 . 26060 1 634 . 1 1 56 56 PHE HD1 H 1 7.0600 0.04 . 3 . . . A 56 PHE HD1 . 26060 1 635 . 1 1 56 56 PHE HD2 H 1 7.0600 0.04 . 3 . . . A 56 PHE HD2 . 26060 1 636 . 1 1 56 56 PHE HE1 H 1 7.0100 0.04 . 3 . . . A 56 PHE HE1 . 26060 1 637 . 1 1 56 56 PHE HE2 H 1 7.0100 0.04 . 3 . . . A 56 PHE HE2 . 26060 1 638 . 1 1 56 56 PHE HZ H 1 7.0440 0.04 . 1 . . . A 56 PHE HZ . 26060 1 639 . 1 1 56 56 PHE C C 13 174.0000 0.4 . 1 . . . A 56 PHE C . 26060 1 640 . 1 1 56 56 PHE CA C 13 56.5800 0.4 . 1 . . . A 56 PHE CA . 26060 1 641 . 1 1 56 56 PHE CB C 13 40.8900 0.4 . 1 . . . A 56 PHE CB . 26060 1 642 . 1 1 56 56 PHE CD1 C 13 132.7000 0.4 . 2 . . . A 56 PHE CD1 . 26060 1 643 . 1 1 56 56 PHE CD2 C 13 132.7000 0.4 . 2 . . . A 56 PHE CD2 . 26060 1 644 . 1 1 56 56 PHE CE1 C 13 130.7500 0.4 . 2 . . . A 56 PHE CE1 . 26060 1 645 . 1 1 56 56 PHE CE2 C 13 130.7500 0.4 . 2 . . . A 56 PHE CE2 . 26060 1 646 . 1 1 56 56 PHE CZ C 13 128.9000 0.4 . 1 . . . A 56 PHE CZ . 26060 1 647 . 1 1 56 56 PHE N N 15 126.1300 0.4 . 1 . . . A 56 PHE N . 26060 1 648 . 1 1 57 57 HIS H H 1 8.6900 0.04 . 1 . . . A 57 HIS H . 26060 1 649 . 1 1 57 57 HIS HA H 1 4.8000 0.04 . 1 . . . A 57 HIS HA . 26060 1 650 . 1 1 57 57 HIS HB2 H 1 2.9400 0.04 . 2 . . . A 57 HIS HB2 . 26060 1 651 . 1 1 57 57 HIS HB3 H 1 3.4200 0.04 . 2 . . . A 57 HIS HB3 . 26060 1 652 . 1 1 57 57 HIS HD2 H 1 6.7300 0.04 . 1 . . . A 57 HIS HD2 . 26060 1 653 . 1 1 57 57 HIS HE1 H 1 7.6900 0.04 . 1 . . . A 57 HIS HE1 . 26060 1 654 . 1 1 57 57 HIS C C 13 174.7000 0.4 . 1 . . . A 57 HIS C . 26060 1 655 . 1 1 57 57 HIS CA C 13 55.3200 0.4 . 1 . . . A 57 HIS CA . 26060 1 656 . 1 1 57 57 HIS CB C 13 30.1000 0.4 . 1 . . . A 57 HIS CB . 26060 1 657 . 1 1 57 57 HIS CD2 C 13 117.3500 0.4 . 1 . . . A 57 HIS CD2 . 26060 1 658 . 1 1 57 57 HIS CE1 C 13 137.5000 0.4 . 1 . . . A 57 HIS CE1 . 26060 1 659 . 1 1 57 57 HIS N N 15 124.1800 0.4 . 1 . . . A 57 HIS N . 26060 1 660 . 1 1 58 58 LEU H H 1 9.0500 0.04 . 1 . . . A 58 LEU H . 26060 1 661 . 1 1 58 58 LEU HA H 1 4.2400 0.04 . 1 . . . A 58 LEU HA . 26060 1 662 . 1 1 58 58 LEU HB2 H 1 1.4200 0.04 . 2 . . . A 58 LEU HB2 . 26060 1 663 . 1 1 58 58 LEU HB3 H 1 2.0300 0.04 . 2 . . . A 58 LEU HB3 . 26060 1 664 . 1 1 58 58 LEU HG H 1 1.8700 0.04 . 1 . . . A 58 LEU HG . 26060 1 665 . 1 1 58 58 LEU HD11 H 1 0.6600 0.04 . 2 . . . A 58 LEU HD11 . 26060 1 666 . 1 1 58 58 LEU HD12 H 1 0.6600 0.04 . 2 . . . A 58 LEU HD12 . 26060 1 667 . 1 1 58 58 LEU HD13 H 1 0.6600 0.04 . 2 . . . A 58 LEU HD13 . 26060 1 668 . 1 1 58 58 LEU HD21 H 1 0.6900 0.04 . 2 . . . A 58 LEU HD21 . 26060 1 669 . 1 1 58 58 LEU HD22 H 1 0.6900 0.04 . 2 . . . A 58 LEU HD22 . 26060 1 670 . 1 1 58 58 LEU HD23 H 1 0.6900 0.04 . 2 . . . A 58 LEU HD23 . 26060 1 671 . 1 1 58 58 LEU C C 13 174.4000 0.4 . 1 . . . A 58 LEU C . 26060 1 672 . 1 1 58 58 LEU CA C 13 55.4100 0.4 . 1 . . . A 58 LEU CA . 26060 1 673 . 1 1 58 58 LEU CB C 13 41.1600 0.4 . 1 . . . A 58 LEU CB . 26060 1 674 . 1 1 58 58 LEU CG C 13 28.7000 0.4 . 1 . . . A 58 LEU CG . 26060 1 675 . 1 1 58 58 LEU CD1 C 13 24.5700 0.4 . 1 . . . A 58 LEU CD1 . 26060 1 676 . 1 1 58 58 LEU CD2 C 13 24.0100 0.4 . 1 . . . A 58 LEU CD2 . 26060 1 677 . 1 1 58 58 LEU N N 15 122.0500 0.4 . 1 . . . A 58 LEU N . 26060 1 678 . 1 1 59 59 HIS H H 1 5.1600 0.04 . 1 . . . A 59 HIS H . 26060 1 679 . 1 1 59 59 HIS C C 13 175.3000 0.4 . 1 . . . A 59 HIS C . 26060 1 680 . 1 1 59 59 HIS CA C 13 59.1100 0.4 . 1 . . . A 59 HIS CA . 26060 1 681 . 1 1 59 59 HIS CB C 13 30.9300 0.4 . 1 . . . A 59 HIS CB . 26060 1 682 . 1 1 59 59 HIS N N 15 118.5100 0.4 . 1 . . . A 59 HIS N . 26060 1 683 . 1 1 60 60 GLU H H 1 7.9600 0.04 . 1 . . . A 60 GLU H . 26060 1 684 . 1 1 60 60 GLU HA H 1 3.9600 0.04 . 1 . . . A 60 GLU HA . 26060 1 685 . 1 1 60 60 GLU HB3 H 1 1.9400 0.04 . 2 . . . A 60 GLU HB3 . 26060 1 686 . 1 1 60 60 GLU HG3 H 1 2.0600 0.04 . 2 . . . A 60 GLU HG3 . 26060 1 687 . 1 1 60 60 GLU C C 13 175.1300 0.4 . 1 . . . A 60 GLU C . 26060 1 688 . 1 1 60 60 GLU CA C 13 59.0100 0.4 . 1 . . . A 60 GLU CA . 26060 1 689 . 1 1 60 60 GLU CB C 13 28.8200 0.4 . 1 . . . A 60 GLU CB . 26060 1 690 . 1 1 60 60 GLU CG C 13 35.8000 0.4 . 1 . . . A 60 GLU CG . 26060 1 691 . 1 1 60 60 GLU N N 15 122.1900 0.4 . 1 . . . A 60 GLU N . 26060 1 692 . 1 1 61 61 SER H H 1 8.5400 0.04 . 1 . . . A 61 SER H . 26060 1 693 . 1 1 61 61 SER HA H 1 4.2000 0.04 . 1 . . . A 61 SER HA . 26060 1 694 . 1 1 61 61 SER HB2 H 1 3.9800 0.04 . 2 . . . A 61 SER HB2 . 26060 1 695 . 1 1 61 61 SER HB3 H 1 4.2200 0.04 . 2 . . . A 61 SER HB3 . 26060 1 696 . 1 1 61 61 SER CA C 13 60.0100 0.4 . 1 . . . A 61 SER CA . 26060 1 697 . 1 1 61 61 SER CB C 13 63.1400 0.4 . 1 . . . A 61 SER CB . 26060 1 698 . 1 1 61 61 SER N N 15 116.9400 0.4 . 1 . . . A 61 SER N . 26060 1 699 . 1 1 62 62 PHE H H 1 8.6400 0.04 . 1 . . . A 62 PHE H . 26060 1 700 . 1 1 62 62 PHE HA H 1 4.5500 0.04 . 1 . . . A 62 PHE HA . 26060 1 701 . 1 1 62 62 PHE HB2 H 1 2.7100 0.04 . 2 . . . A 62 PHE HB2 . 26060 1 702 . 1 1 62 62 PHE HB3 H 1 3.0300 0.04 . 2 . . . A 62 PHE HB3 . 26060 1 703 . 1 1 62 62 PHE HD1 H 1 7.3400 0.04 . 3 . . . A 62 PHE HD1 . 26060 1 704 . 1 1 62 62 PHE HD2 H 1 7.3400 0.04 . 3 . . . A 62 PHE HD2 . 26060 1 705 . 1 1 62 62 PHE HE1 H 1 7.0800 0.04 . 3 . . . A 62 PHE HE1 . 26060 1 706 . 1 1 62 62 PHE HE2 H 1 7.0800 0.04 . 3 . . . A 62 PHE HE2 . 26060 1 707 . 1 1 62 62 PHE CA C 13 57.9400 0.4 . 1 . . . A 62 PHE CA . 26060 1 708 . 1 1 62 62 PHE CB C 13 38.4000 0.4 . 1 . . . A 62 PHE CB . 26060 1 709 . 1 1 62 62 PHE CD1 C 13 131.7200 0.4 . 2 . . . A 62 PHE CD1 . 26060 1 710 . 1 1 62 62 PHE CD2 C 13 131.7200 0.4 . 2 . . . A 62 PHE CD2 . 26060 1 711 . 1 1 62 62 PHE CE1 C 13 130.4600 0.4 . 2 . . . A 62 PHE CE1 . 26060 1 712 . 1 1 62 62 PHE CE2 C 13 130.4600 0.4 . 2 . . . A 62 PHE CE2 . 26060 1 713 . 1 1 62 62 PHE N N 15 123.7000 0.4 . 1 . . . A 62 PHE N . 26060 1 714 . 1 1 63 63 PRO HA H 1 4.4100 0.04 . 1 . . . A 63 PRO HA . 26060 1 715 . 1 1 63 63 PRO HB2 H 1 1.9400 0.04 . 2 . . . A 63 PRO HB2 . 26060 1 716 . 1 1 63 63 PRO HB3 H 1 2.3600 0.04 . 2 . . . A 63 PRO HB3 . 26060 1 717 . 1 1 63 63 PRO HG3 H 1 2.1600 0.04 . 2 . . . A 63 PRO HG3 . 26060 1 718 . 1 1 63 63 PRO HD2 H 1 3.8400 0.04 . 2 . . . A 63 PRO HD2 . 26060 1 719 . 1 1 63 63 PRO HD3 H 1 3.9300 0.04 . 2 . . . A 63 PRO HD3 . 26060 1 720 . 1 1 63 63 PRO C C 13 176.4000 0.4 . 1 . . . A 63 PRO C . 26060 1 721 . 1 1 63 63 PRO CA C 13 62.6000 0.4 . 1 . . . A 63 PRO CA . 26060 1 722 . 1 1 63 63 PRO CB C 13 31.8600 0.4 . 1 . . . A 63 PRO CB . 26060 1 723 . 1 1 63 63 PRO CG C 13 27.5700 0.4 . 1 . . . A 63 PRO CG . 26060 1 724 . 1 1 63 63 PRO CD C 13 50.9000 0.4 . 1 . . . A 63 PRO CD . 26060 1 725 . 1 1 64 64 ARG H H 1 8.8900 0.04 . 1 . . . A 64 ARG H . 26060 1 726 . 1 1 64 64 ARG HA H 1 4.1000 0.04 . 1 . . . A 64 ARG HA . 26060 1 727 . 1 1 64 64 ARG HB3 H 1 1.8800 0.04 . 2 . . . A 64 ARG HB3 . 26060 1 728 . 1 1 64 64 ARG HG3 H 1 1.6500 0.04 . 2 . . . A 64 ARG HG3 . 26060 1 729 . 1 1 64 64 ARG HD2 H 1 3.2700 0.04 . 2 . . . A 64 ARG HD2 . 26060 1 730 . 1 1 64 64 ARG HD3 H 1 3.3400 0.04 . 2 . . . A 64 ARG HD3 . 26060 1 731 . 1 1 64 64 ARG CA C 13 55.6100 0.4 . 1 . . . A 64 ARG CA . 26060 1 732 . 1 1 64 64 ARG CB C 13 28.8300 0.4 . 1 . . . A 64 ARG CB . 26060 1 733 . 1 1 64 64 ARG CG C 13 27.2200 0.4 . 1 . . . A 64 ARG CG . 26060 1 734 . 1 1 64 64 ARG CD C 13 43.4000 0.4 . 1 . . . A 64 ARG CD . 26060 1 735 . 1 1 64 64 ARG N N 15 116.8400 0.4 . 1 . . . A 64 ARG N . 26060 1 736 . 1 1 65 65 PRO HA H 1 3.9900 0.04 . 1 . . . A 65 PRO HA . 26060 1 737 . 1 1 65 65 PRO HB2 H 1 2.0000 0.04 . 2 . . . A 65 PRO HB2 . 26060 1 738 . 1 1 65 65 PRO HB3 H 1 2.2300 0.04 . 2 . . . A 65 PRO HB3 . 26060 1 739 . 1 1 65 65 PRO HG2 H 1 1.9200 0.04 . 2 . . . A 65 PRO HG2 . 26060 1 740 . 1 1 65 65 PRO HG3 H 1 2.1000 0.04 . 2 . . . A 65 PRO HG3 . 26060 1 741 . 1 1 65 65 PRO HD2 H 1 3.6600 0.04 . 2 . . . A 65 PRO HD2 . 26060 1 742 . 1 1 65 65 PRO HD3 H 1 3.9500 0.04 . 2 . . . A 65 PRO HD3 . 26060 1 743 . 1 1 65 65 PRO C C 13 175.8000 0.4 . 1 . . . A 65 PRO C . 26060 1 744 . 1 1 65 65 PRO CA C 13 65.8100 0.4 . 1 . . . A 65 PRO CA . 26060 1 745 . 1 1 65 65 PRO CB C 13 31.8800 0.4 . 1 . . . A 65 PRO CB . 26060 1 746 . 1 1 65 65 PRO CG C 13 27.3600 0.4 . 1 . . . A 65 PRO CG . 26060 1 747 . 1 1 65 65 PRO CD C 13 49.9000 0.4 . 1 . . . A 65 PRO CD . 26060 1 748 . 1 1 66 66 LYS H H 1 7.6300 0.04 . 1 . . . A 66 LYS H . 26060 1 749 . 1 1 66 66 LYS HA H 1 4.6100 0.04 . 1 . . . A 66 LYS HA . 26060 1 750 . 1 1 66 66 LYS HB2 H 1 1.6100 0.04 . 2 . . . A 66 LYS HB2 . 26060 1 751 . 1 1 66 66 LYS HB3 H 1 1.7100 0.04 . 2 . . . A 66 LYS HB3 . 26060 1 752 . 1 1 66 66 LYS HG2 H 1 0.9500 0.04 . 2 . . . A 66 LYS HG2 . 26060 1 753 . 1 1 66 66 LYS HG3 H 1 1.0200 0.04 . 2 . . . A 66 LYS HG3 . 26060 1 754 . 1 1 66 66 LYS HD3 H 1 1.6160 0.04 . 2 . . . A 66 LYS HD3 . 26060 1 755 . 1 1 66 66 LYS HE3 H 1 2.8900 0.04 . 2 . . . A 66 LYS HE3 . 26060 1 756 . 1 1 66 66 LYS C C 13 175.4000 0.4 . 1 . . . A 66 LYS C . 26060 1 757 . 1 1 66 66 LYS CA C 13 55.4530 0.4 . 1 . . . A 66 LYS CA . 26060 1 758 . 1 1 66 66 LYS CB C 13 31.7300 0.4 . 1 . . . A 66 LYS CB . 26060 1 759 . 1 1 66 66 LYS CG C 13 25.5900 0.4 . 1 . . . A 66 LYS CG . 26060 1 760 . 1 1 66 66 LYS CD C 13 29.3200 0.4 . 1 . . . A 66 LYS CD . 26060 1 761 . 1 1 66 66 LYS CE C 13 41.7500 0.4 . 1 . . . A 66 LYS CE . 26060 1 762 . 1 1 66 66 LYS N N 15 119.0350 0.4 . 1 . . . A 66 LYS N . 26060 1 763 . 1 1 67 67 ARG H H 1 8.8550 0.04 . 1 . . . A 67 ARG H . 26060 1 764 . 1 1 67 67 ARG HA H 1 4.7400 0.04 . 1 . . . A 67 ARG HA . 26060 1 765 . 1 1 67 67 ARG HB2 H 1 1.8500 0.04 . 2 . . . A 67 ARG HB2 . 26060 1 766 . 1 1 67 67 ARG HB3 H 1 2.1700 0.04 . 2 . . . A 67 ARG HB3 . 26060 1 767 . 1 1 67 67 ARG HG3 H 1 1.7400 0.04 . 2 . . . A 67 ARG HG3 . 26060 1 768 . 1 1 67 67 ARG HD3 H 1 3.2400 0.04 . 2 . . . A 67 ARG HD3 . 26060 1 769 . 1 1 67 67 ARG C C 13 174.5000 0.4 . 1 . . . A 67 ARG C . 26060 1 770 . 1 1 67 67 ARG CA C 13 52.8000 0.4 . 1 . . . A 67 ARG CA . 26060 1 771 . 1 1 67 67 ARG CB C 13 29.7140 0.4 . 1 . . . A 67 ARG CB . 26060 1 772 . 1 1 67 67 ARG CG C 13 26.0400 0.4 . 1 . . . A 67 ARG CG . 26060 1 773 . 1 1 67 67 ARG CD C 13 41.7000 0.4 . 1 . . . A 67 ARG CD . 26060 1 774 . 1 1 67 67 ARG N N 15 127.3940 0.4 . 1 . . . A 67 ARG N . 26060 1 775 . 1 1 68 68 VAL H H 1 8.6810 0.04 . 1 . . . A 68 VAL H . 26060 1 776 . 1 1 68 68 VAL HA H 1 4.5800 0.04 . 1 . . . A 68 VAL HA . 26060 1 777 . 1 1 68 68 VAL HB H 1 2.0600 0.04 . 1 . . . A 68 VAL HB . 26060 1 778 . 1 1 68 68 VAL HG11 H 1 0.9100 0.04 . 2 . . . A 68 VAL HG11 . 26060 1 779 . 1 1 68 68 VAL HG12 H 1 0.9100 0.04 . 2 . . . A 68 VAL HG12 . 26060 1 780 . 1 1 68 68 VAL HG13 H 1 0.9100 0.04 . 2 . . . A 68 VAL HG13 . 26060 1 781 . 1 1 68 68 VAL HG21 H 1 0.8300 0.04 . 2 . . . A 68 VAL HG21 . 26060 1 782 . 1 1 68 68 VAL HG22 H 1 0.8300 0.04 . 2 . . . A 68 VAL HG22 . 26060 1 783 . 1 1 68 68 VAL HG23 H 1 0.8300 0.04 . 2 . . . A 68 VAL HG23 . 26060 1 784 . 1 1 68 68 VAL C C 13 176.8500 0.4 . 1 . . . A 68 VAL C . 26060 1 785 . 1 1 68 68 VAL CA C 13 62.0730 0.4 . 1 . . . A 68 VAL CA . 26060 1 786 . 1 1 68 68 VAL CB C 13 33.6040 0.4 . 1 . . . A 68 VAL CB . 26060 1 787 . 1 1 68 68 VAL CG1 C 13 21.6600 0.4 . 1 . . . A 68 VAL CG1 . 26060 1 788 . 1 1 68 68 VAL CG2 C 13 21.4000 0.4 . 1 . . . A 68 VAL CG2 . 26060 1 789 . 1 1 68 68 VAL N N 15 124.3880 0.4 . 1 . . . A 68 VAL N . 26060 1 790 . 1 1 69 69 CYS H H 1 9.4550 0.04 . 1 . . . A 69 CYS H . 26060 1 791 . 1 1 69 69 CYS HA H 1 5.0700 0.04 . 1 . . . A 69 CYS HA . 26060 1 792 . 1 1 69 69 CYS HB2 H 1 3.1500 0.04 . 2 . . . A 69 CYS HB2 . 26060 1 793 . 1 1 69 69 CYS HB3 H 1 3.3700 0.04 . 2 . . . A 69 CYS HB3 . 26060 1 794 . 1 1 69 69 CYS CA C 13 58.3460 0.4 . 1 . . . A 69 CYS CA . 26060 1 795 . 1 1 69 69 CYS CB C 13 30.7700 0.4 . 1 . . . A 69 CYS CB . 26060 1 796 . 1 1 69 69 CYS N N 15 127.0800 0.4 . 1 . . . A 69 CYS N . 26060 1 797 . 1 1 70 70 LYS H H 1 9.0500 0.04 . 1 . . . A 70 LYS H . 26060 1 798 . 1 1 70 70 LYS HA H 1 4.4900 0.04 . 1 . . . A 70 LYS HA . 26060 1 799 . 1 1 70 70 LYS HB2 H 1 1.8300 0.04 . 2 . . . A 70 LYS HB2 . 26060 1 800 . 1 1 70 70 LYS HB3 H 1 1.9600 0.04 . 2 . . . A 70 LYS HB3 . 26060 1 801 . 1 1 70 70 LYS HG2 H 1 1.3800 0.04 . 2 . . . A 70 LYS HG2 . 26060 1 802 . 1 1 70 70 LYS HG3 H 1 1.5300 0.04 . 2 . . . A 70 LYS HG3 . 26060 1 803 . 1 1 70 70 LYS HD3 H 1 1.7200 0.04 . 2 . . . A 70 LYS HD3 . 26060 1 804 . 1 1 70 70 LYS HE3 H 1 2.9800 0.04 . 2 . . . A 70 LYS HE3 . 26060 1 805 . 1 1 70 70 LYS C C 13 174.3000 0.4 . 1 . . . A 70 LYS C . 26060 1 806 . 1 1 70 70 LYS CA C 13 57.7600 0.4 . 1 . . . A 70 LYS CA . 26060 1 807 . 1 1 70 70 LYS CB C 13 33.1700 0.4 . 1 . . . A 70 LYS CB . 26060 1 808 . 1 1 70 70 LYS CG C 13 25.5900 0.4 . 1 . . . A 70 LYS CG . 26060 1 809 . 1 1 70 70 LYS CD C 13 29.0400 0.4 . 1 . . . A 70 LYS CD . 26060 1 810 . 1 1 70 70 LYS CE C 13 41.5500 0.4 . 1 . . . A 70 LYS CE . 26060 1 811 . 1 1 70 70 LYS N N 15 125.4800 0.4 . 1 . . . A 70 LYS N . 26060 1 812 . 1 1 71 71 ASP H H 1 7.6200 0.04 . 1 . . . A 71 ASP H . 26060 1 813 . 1 1 71 71 ASP HA H 1 5.1000 0.04 . 1 . . . A 71 ASP HA . 26060 1 814 . 1 1 71 71 ASP HB2 H 1 2.2000 0.04 . 2 . . . A 71 ASP HB2 . 26060 1 815 . 1 1 71 71 ASP HB3 H 1 2.6200 0.04 . 2 . . . A 71 ASP HB3 . 26060 1 816 . 1 1 71 71 ASP CA C 13 51.0800 0.4 . 1 . . . A 71 ASP CA . 26060 1 817 . 1 1 71 71 ASP CB C 13 43.3800 0.4 . 1 . . . A 71 ASP CB . 26060 1 818 . 1 1 71 71 ASP N N 15 116.9400 0.4 . 1 . . . A 71 ASP N . 26060 1 819 . 1 1 72 72 PRO HA H 1 3.2600 0.04 . 1 . . . A 72 PRO HA . 26060 1 820 . 1 1 72 72 PRO HB2 H 1 1.6400 0.04 . 2 . . . A 72 PRO HB2 . 26060 1 821 . 1 1 72 72 PRO HB3 H 1 1.8400 0.04 . 2 . . . A 72 PRO HB3 . 26060 1 822 . 1 1 72 72 PRO HG3 H 1 1.8600 0.04 . 2 . . . A 72 PRO HG3 . 26060 1 823 . 1 1 72 72 PRO HD2 H 1 3.5600 0.04 . 2 . . . A 72 PRO HD2 . 26060 1 824 . 1 1 72 72 PRO HD3 H 1 3.6100 0.04 . 2 . . . A 72 PRO HD3 . 26060 1 825 . 1 1 72 72 PRO CA C 13 60.6500 0.4 . 1 . . . A 72 PRO CA . 26060 1 826 . 1 1 72 72 PRO CB C 13 30.0400 0.4 . 1 . . . A 72 PRO CB . 26060 1 827 . 1 1 72 72 PRO CG C 13 26.6400 0.4 . 1 . . . A 72 PRO CG . 26060 1 828 . 1 1 72 72 PRO CD C 13 49.9200 0.4 . 1 . . . A 72 PRO CD . 26060 1 829 . 1 1 73 73 PRO HA H 1 4.1000 0.04 . 1 . . . A 73 PRO HA . 26060 1 830 . 1 1 73 73 PRO HB2 H 1 1.8400 0.04 . 2 . . . A 73 PRO HB2 . 26060 1 831 . 1 1 73 73 PRO HB3 H 1 2.3300 0.04 . 2 . . . A 73 PRO HB3 . 26060 1 832 . 1 1 73 73 PRO HG3 H 1 1.9000 0.04 . 2 . . . A 73 PRO HG3 . 26060 1 833 . 1 1 73 73 PRO HD2 H 1 3.3950 0.04 . 2 . . . A 73 PRO HD2 . 26060 1 834 . 1 1 73 73 PRO HD3 H 1 3.6100 0.04 . 2 . . . A 73 PRO HD3 . 26060 1 835 . 1 1 73 73 PRO C C 13 174.7000 0.4 . 1 . . . A 73 PRO C . 26060 1 836 . 1 1 73 73 PRO CA C 13 61.6900 0.4 . 1 . . . A 73 PRO CA . 26060 1 837 . 1 1 73 73 PRO CB C 13 34.0400 0.4 . 1 . . . A 73 PRO CB . 26060 1 838 . 1 1 73 73 PRO CG C 13 24.8000 0.4 . 1 . . . A 73 PRO CG . 26060 1 839 . 1 1 73 73 PRO CD C 13 50.1800 0.4 . 1 . . . A 73 PRO CD . 26060 1 840 . 1 1 74 74 TYR H H 1 8.9600 0.04 . 1 . . . A 74 TYR H . 26060 1 841 . 1 1 74 74 TYR HA H 1 4.8500 0.04 . 1 . . . A 74 TYR HA . 26060 1 842 . 1 1 74 74 TYR HB2 H 1 2.6600 0.04 . 2 . . . A 74 TYR HB2 . 26060 1 843 . 1 1 74 74 TYR HB3 H 1 4.1080 0.04 . 2 . . . A 74 TYR HB3 . 26060 1 844 . 1 1 74 74 TYR HD1 H 1 7.0600 0.04 . 3 . . . A 74 TYR HD1 . 26060 1 845 . 1 1 74 74 TYR HD2 H 1 7.0600 0.04 . 3 . . . A 74 TYR HD2 . 26060 1 846 . 1 1 74 74 TYR HE1 H 1 6.3100 0.04 . 3 . . . A 74 TYR HE1 . 26060 1 847 . 1 1 74 74 TYR HE2 H 1 6.3100 0.04 . 3 . . . A 74 TYR HE2 . 26060 1 848 . 1 1 74 74 TYR C C 13 172.9000 0.4 . 1 . . . A 74 TYR C . 26060 1 849 . 1 1 74 74 TYR CA C 13 55.6700 0.4 . 1 . . . A 74 TYR CA . 26060 1 850 . 1 1 74 74 TYR CB C 13 35.4000 0.4 . 1 . . . A 74 TYR CB . 26060 1 851 . 1 1 74 74 TYR CD1 C 13 133.4000 0.4 . 2 . . . A 74 TYR CD1 . 26060 1 852 . 1 1 74 74 TYR CD2 C 13 133.4000 0.4 . 2 . . . A 74 TYR CD2 . 26060 1 853 . 1 1 74 74 TYR CE1 C 13 117.1700 0.4 . 2 . . . A 74 TYR CE1 . 26060 1 854 . 1 1 74 74 TYR CE2 C 13 117.1700 0.4 . 2 . . . A 74 TYR CE2 . 26060 1 855 . 1 1 74 74 TYR N N 15 125.4000 0.4 . 1 . . . A 74 TYR N . 26060 1 856 . 1 1 75 75 LYS H H 1 7.6700 0.04 . 1 . . . A 75 LYS H . 26060 1 857 . 1 1 75 75 LYS HA H 1 5.5900 0.04 . 1 . . . A 75 LYS HA . 26060 1 858 . 1 1 75 75 LYS HB2 H 1 1.7700 0.04 . 2 . . . A 75 LYS HB2 . 26060 1 859 . 1 1 75 75 LYS HB3 H 1 1.8700 0.04 . 2 . . . A 75 LYS HB3 . 26060 1 860 . 1 1 75 75 LYS HG3 H 1 1.2400 0.04 . 2 . . . A 75 LYS HG3 . 26060 1 861 . 1 1 75 75 LYS HD2 H 1 1.5200 0.04 . 2 . . . A 75 LYS HD2 . 26060 1 862 . 1 1 75 75 LYS HD3 H 1 1.5800 0.04 . 2 . . . A 75 LYS HD3 . 26060 1 863 . 1 1 75 75 LYS HE3 H 1 2.8500 0.04 . 2 . . . A 75 LYS HE3 . 26060 1 864 . 1 1 75 75 LYS C C 13 173.8000 0.4 . 1 . . . A 75 LYS C . 26060 1 865 . 1 1 75 75 LYS CA C 13 54.6500 0.4 . 1 . . . A 75 LYS CA . 26060 1 866 . 1 1 75 75 LYS CB C 13 35.8900 0.4 . 1 . . . A 75 LYS CB . 26060 1 867 . 1 1 75 75 LYS CG C 13 23.2300 0.4 . 1 . . . A 75 LYS CG . 26060 1 868 . 1 1 75 75 LYS CD C 13 30.0400 0.4 . 1 . . . A 75 LYS CD . 26060 1 869 . 1 1 75 75 LYS CE C 13 41.8000 0.4 . 1 . . . A 75 LYS CE . 26060 1 870 . 1 1 75 75 LYS N N 15 121.4000 0.4 . 1 . . . A 75 LYS N . 26060 1 871 . 1 1 76 76 VAL H H 1 8.1800 0.04 . 1 . . . A 76 VAL H . 26060 1 872 . 1 1 76 76 VAL HA H 1 3.8900 0.04 . 1 . . . A 76 VAL HA . 26060 1 873 . 1 1 76 76 VAL HB H 1 1.4500 0.04 . 1 . . . A 76 VAL HB . 26060 1 874 . 1 1 76 76 VAL HG11 H 1 0.7100 0.04 . 2 . . . A 76 VAL HG11 . 26060 1 875 . 1 1 76 76 VAL HG12 H 1 0.7100 0.04 . 2 . . . A 76 VAL HG12 . 26060 1 876 . 1 1 76 76 VAL HG13 H 1 0.7100 0.04 . 2 . . . A 76 VAL HG13 . 26060 1 877 . 1 1 76 76 VAL HG21 H 1 0.2800 0.04 . 2 . . . A 76 VAL HG21 . 26060 1 878 . 1 1 76 76 VAL HG22 H 1 0.2800 0.04 . 2 . . . A 76 VAL HG22 . 26060 1 879 . 1 1 76 76 VAL HG23 H 1 0.2800 0.04 . 2 . . . A 76 VAL HG23 . 26060 1 880 . 1 1 76 76 VAL C C 13 173.9000 0.4 . 1 . . . A 76 VAL C . 26060 1 881 . 1 1 76 76 VAL CA C 13 61.7300 0.4 . 1 . . . A 76 VAL CA . 26060 1 882 . 1 1 76 76 VAL CB C 13 35.5400 0.4 . 1 . . . A 76 VAL CB . 26060 1 883 . 1 1 76 76 VAL CG1 C 13 22.0000 0.4 . 1 . . . A 76 VAL CG1 . 26060 1 884 . 1 1 76 76 VAL CG2 C 13 21.6000 0.4 . 1 . . . A 76 VAL CG2 . 26060 1 885 . 1 1 76 76 VAL N N 15 119.8000 0.4 . 1 . . . A 76 VAL N . 26060 1 886 . 1 1 77 77 GLU H H 1 8.2700 0.04 . 1 . . . A 77 GLU H . 26060 1 887 . 1 1 77 77 GLU HA H 1 4.9500 0.04 . 1 . . . A 77 GLU HA . 26060 1 888 . 1 1 77 77 GLU HB2 H 1 1.7800 0.04 . 2 . . . A 77 GLU HB2 . 26060 1 889 . 1 1 77 77 GLU HB3 H 1 1.9500 0.04 . 2 . . . A 77 GLU HB3 . 26060 1 890 . 1 1 77 77 GLU HG3 H 1 2.0700 0.04 . 2 . . . A 77 GLU HG3 . 26060 1 891 . 1 1 77 77 GLU C C 13 174.7000 0.4 . 1 . . . A 77 GLU C . 26060 1 892 . 1 1 77 77 GLU CA C 13 54.9400 0.4 . 1 . . . A 77 GLU CA . 26060 1 893 . 1 1 77 77 GLU CB C 13 31.5500 0.4 . 1 . . . A 77 GLU CB . 26060 1 894 . 1 1 77 77 GLU CG C 13 37.2000 0.4 . 1 . . . A 77 GLU CG . 26060 1 895 . 1 1 77 77 GLU N N 15 126.1900 0.4 . 1 . . . A 77 GLU N . 26060 1 896 . 1 1 78 78 GLU H H 1 7.8700 0.04 . 1 . . . A 78 GLU H . 26060 1 897 . 1 1 78 78 GLU HA H 1 4.4500 0.04 . 1 . . . A 78 GLU HA . 26060 1 898 . 1 1 78 78 GLU HB2 H 1 -0.6820 0.04 . 2 . . . A 78 GLU HB2 . 26060 1 899 . 1 1 78 78 GLU HB3 H 1 1.2700 0.04 . 2 . . . A 78 GLU HB3 . 26060 1 900 . 1 1 78 78 GLU HG2 H 1 1.5300 0.04 . 2 . . . A 78 GLU HG2 . 26060 1 901 . 1 1 78 78 GLU HG3 H 1 1.8000 0.04 . 2 . . . A 78 GLU HG3 . 26060 1 902 . 1 1 78 78 GLU C C 13 175.4000 0.4 . 1 . . . A 78 GLU C . 26060 1 903 . 1 1 78 78 GLU CA C 13 54.0420 0.4 . 1 . . . A 78 GLU CA . 26060 1 904 . 1 1 78 78 GLU CB C 13 37.1000 0.4 . 1 . . . A 78 GLU CB . 26060 1 905 . 1 1 78 78 GLU CG C 13 36.7000 0.4 . 1 . . . A 78 GLU CG . 26060 1 906 . 1 1 78 78 GLU N N 15 126.1800 0.4 . 1 . . . A 78 GLU N . 26060 1 907 . 1 1 79 79 SER H H 1 7.7140 0.04 . 1 . . . A 79 SER H . 26060 1 908 . 1 1 79 79 SER HA H 1 5.5600 0.04 . 1 . . . A 79 SER HA . 26060 1 909 . 1 1 79 79 SER HB2 H 1 3.5600 0.04 . 2 . . . A 79 SER HB2 . 26060 1 910 . 1 1 79 79 SER HB3 H 1 4.1500 0.04 . 2 . . . A 79 SER HB3 . 26060 1 911 . 1 1 79 79 SER C C 13 172.4900 0.4 . 1 . . . A 79 SER C . 26060 1 912 . 1 1 79 79 SER CA C 13 57.7540 0.4 . 1 . . . A 79 SER CA . 26060 1 913 . 1 1 79 79 SER CB C 13 65.8610 0.4 . 1 . . . A 79 SER CB . 26060 1 914 . 1 1 79 79 SER N N 15 112.1090 0.4 . 1 . . . A 79 SER N . 26060 1 915 . 1 1 80 80 GLY H H 1 8.8280 0.04 . 1 . . . A 80 GLY H . 26060 1 916 . 1 1 80 80 GLY HA2 H 1 3.8400 0.04 . 2 . . . A 80 GLY HA2 . 26060 1 917 . 1 1 80 80 GLY HA3 H 1 4.5200 0.04 . 2 . . . A 80 GLY HA3 . 26060 1 918 . 1 1 80 80 GLY C C 13 172.6300 0.4 . 1 . . . A 80 GLY C . 26060 1 919 . 1 1 80 80 GLY CA C 13 46.5700 0.4 . 1 . . . A 80 GLY CA . 26060 1 920 . 1 1 80 80 GLY N N 15 106.0480 0.4 . 1 . . . A 80 GLY N . 26060 1 921 . 1 1 81 81 TYR H H 1 8.7700 0.04 . 1 . . . A 81 TYR H . 26060 1 922 . 1 1 81 81 TYR HA H 1 5.6800 0.04 . 1 . . . A 81 TYR HA . 26060 1 923 . 1 1 81 81 TYR HB2 H 1 3.0600 0.04 . 2 . . . A 81 TYR HB2 . 26060 1 924 . 1 1 81 81 TYR HB3 H 1 3.6700 0.04 . 2 . . . A 81 TYR HB3 . 26060 1 925 . 1 1 81 81 TYR HD1 H 1 6.9400 0.04 . 3 . . . A 81 TYR HD1 . 26060 1 926 . 1 1 81 81 TYR HD2 H 1 6.9400 0.04 . 3 . . . A 81 TYR HD2 . 26060 1 927 . 1 1 81 81 TYR HE1 H 1 6.6500 0.04 . 3 . . . A 81 TYR HE1 . 26060 1 928 . 1 1 81 81 TYR HE2 H 1 6.6500 0.04 . 3 . . . A 81 TYR HE2 . 26060 1 929 . 1 1 81 81 TYR C C 13 174.1000 0.4 . 1 . . . A 81 TYR C . 26060 1 930 . 1 1 81 81 TYR CA C 13 55.5000 0.4 . 1 . . . A 81 TYR CA . 26060 1 931 . 1 1 81 81 TYR CB C 13 41.3400 0.4 . 1 . . . A 81 TYR CB . 26060 1 932 . 1 1 81 81 TYR CD1 C 13 133.5000 0.4 . 2 . . . A 81 TYR CD1 . 26060 1 933 . 1 1 81 81 TYR CD2 C 13 133.5000 0.4 . 2 . . . A 81 TYR CD2 . 26060 1 934 . 1 1 81 81 TYR CE1 C 13 118.0000 0.4 . 2 . . . A 81 TYR CE1 . 26060 1 935 . 1 1 81 81 TYR CE2 C 13 118.0000 0.4 . 2 . . . A 81 TYR CE2 . 26060 1 936 . 1 1 81 81 TYR N N 15 115.2800 0.4 . 1 . . . A 81 TYR N . 26060 1 937 . 1 1 82 82 ALA H H 1 7.1600 0.04 . 1 . . . A 82 ALA H . 26060 1 938 . 1 1 82 82 ALA HA H 1 4.4000 0.04 . 1 . . . A 82 ALA HA . 26060 1 939 . 1 1 82 82 ALA HB1 H 1 1.1100 0.04 . 1 . . . A 82 ALA HB1 . 26060 1 940 . 1 1 82 82 ALA HB2 H 1 1.1100 0.04 . 1 . . . A 82 ALA HB2 . 26060 1 941 . 1 1 82 82 ALA HB3 H 1 1.1100 0.04 . 1 . . . A 82 ALA HB3 . 26060 1 942 . 1 1 82 82 ALA CA C 13 52.0400 0.4 . 1 . . . A 82 ALA CA . 26060 1 943 . 1 1 82 82 ALA CB C 13 22.4000 0.4 . 1 . . . A 82 ALA CB . 26060 1 944 . 1 1 82 82 ALA N N 15 122.3500 0.4 . 1 . . . A 82 ALA N . 26060 1 945 . 1 1 83 83 GLY H H 1 8.2200 0.04 . 1 . . . A 83 GLY H . 26060 1 946 . 1 1 83 83 GLY HA2 H 1 3.9000 0.04 . 2 . . . A 83 GLY HA2 . 26060 1 947 . 1 1 83 83 GLY HA3 H 1 4.1700 0.04 . 2 . . . A 83 GLY HA3 . 26060 1 948 . 1 1 83 83 GLY C C 13 172.5000 0.4 . 1 . . . A 83 GLY C . 26060 1 949 . 1 1 83 83 GLY CA C 13 44.6100 0.4 . 1 . . . A 83 GLY CA . 26060 1 950 . 1 1 83 83 GLY N N 15 107.1000 0.4 . 1 . . . A 83 GLY N . 26060 1 951 . 1 1 84 84 PHE H H 1 7.7000 0.04 . 1 . . . A 84 PHE H . 26060 1 952 . 1 1 84 84 PHE HA H 1 4.6900 0.04 . 1 . . . A 84 PHE HA . 26060 1 953 . 1 1 84 84 PHE HB2 H 1 3.0700 0.04 . 2 . . . A 84 PHE HB2 . 26060 1 954 . 1 1 84 84 PHE HB3 H 1 3.4100 0.04 . 2 . . . A 84 PHE HB3 . 26060 1 955 . 1 1 84 84 PHE HD1 H 1 7.2300 0.04 . 3 . . . A 84 PHE HD1 . 26060 1 956 . 1 1 84 84 PHE HD2 H 1 7.2300 0.04 . 3 . . . A 84 PHE HD2 . 26060 1 957 . 1 1 84 84 PHE HE1 H 1 7.4400 0.04 . 3 . . . A 84 PHE HE1 . 26060 1 958 . 1 1 84 84 PHE HE2 H 1 7.4400 0.04 . 3 . . . A 84 PHE HE2 . 26060 1 959 . 1 1 84 84 PHE HZ H 1 7.0400 0.04 . 1 . . . A 84 PHE HZ . 26060 1 960 . 1 1 84 84 PHE C C 13 172.4600 0.4 . 1 . . . A 84 PHE C . 26060 1 961 . 1 1 84 84 PHE CA C 13 56.5000 0.4 . 1 . . . A 84 PHE CA . 26060 1 962 . 1 1 84 84 PHE CB C 13 38.5800 0.4 . 1 . . . A 84 PHE CB . 26060 1 963 . 1 1 84 84 PHE CD1 C 13 133.9000 0.4 . 2 . . . A 84 PHE CD1 . 26060 1 964 . 1 1 84 84 PHE CD2 C 13 133.9000 0.4 . 2 . . . A 84 PHE CD2 . 26060 1 965 . 1 1 84 84 PHE CE1 C 13 130.9500 0.4 . 2 . . . A 84 PHE CE1 . 26060 1 966 . 1 1 84 84 PHE CE2 C 13 130.9500 0.4 . 2 . . . A 84 PHE CE2 . 26060 1 967 . 1 1 84 84 PHE CZ C 13 129.0900 0.4 . 1 . . . A 84 PHE CZ . 26060 1 968 . 1 1 84 84 PHE N N 15 111.6600 0.4 . 1 . . . A 84 PHE N . 26060 1 969 . 1 1 85 85 ILE H H 1 8.3400 0.04 . 1 . . . A 85 ILE H . 26060 1 970 . 1 1 85 85 ILE HA H 1 4.3100 0.04 . 1 . . . A 85 ILE HA . 26060 1 971 . 1 1 85 85 ILE HB H 1 2.0000 0.04 . 1 . . . A 85 ILE HB . 26060 1 972 . 1 1 85 85 ILE HG12 H 1 1.3200 0.04 . 1 . . . A 85 ILE HG12 . 26060 1 973 . 1 1 85 85 ILE HG13 H 1 1.4000 0.04 . 1 . . . A 85 ILE HG13 . 26060 1 974 . 1 1 85 85 ILE HG21 H 1 0.6400 0.04 . 1 . . . A 85 ILE HG21 . 26060 1 975 . 1 1 85 85 ILE HG22 H 1 0.6400 0.04 . 1 . . . A 85 ILE HG22 . 26060 1 976 . 1 1 85 85 ILE HG23 H 1 0.6400 0.04 . 1 . . . A 85 ILE HG23 . 26060 1 977 . 1 1 85 85 ILE HD11 H 1 0.5500 0.04 . 1 . . . A 85 ILE HD11 . 26060 1 978 . 1 1 85 85 ILE HD12 H 1 0.5500 0.04 . 1 . . . A 85 ILE HD12 . 26060 1 979 . 1 1 85 85 ILE HD13 H 1 0.5500 0.04 . 1 . . . A 85 ILE HD13 . 26060 1 980 . 1 1 85 85 ILE CA C 13 59.3400 0.4 . 1 . . . A 85 ILE CA . 26060 1 981 . 1 1 85 85 ILE CB C 13 35.2600 0.4 . 1 . . . A 85 ILE CB . 26060 1 982 . 1 1 85 85 ILE CG1 C 13 26.6400 0.4 . 1 . . . A 85 ILE CG1 . 26060 1 983 . 1 1 85 85 ILE CG2 C 13 16.9600 0.4 . 1 . . . A 85 ILE CG2 . 26060 1 984 . 1 1 85 85 ILE CD1 C 13 9.3700 0.4 . 1 . . . A 85 ILE CD1 . 26060 1 985 . 1 1 85 85 ILE N N 15 117.8100 0.4 . 1 . . . A 85 ILE N . 26060 1 986 . 1 1 86 86 LEU H H 1 9.9000 0.04 . 1 . . . A 86 LEU H . 26060 1 987 . 1 1 86 86 LEU HA H 1 4.9800 0.04 . 1 . . . A 86 LEU HA . 26060 1 988 . 1 1 86 86 LEU HB2 H 1 1.2200 0.04 . 2 . . . A 86 LEU HB2 . 26060 1 989 . 1 1 86 86 LEU HB3 H 1 2.0800 0.04 . 2 . . . A 86 LEU HB3 . 26060 1 990 . 1 1 86 86 LEU HG H 1 1.8900 0.04 . 1 . . . A 86 LEU HG . 26060 1 991 . 1 1 86 86 LEU HD11 H 1 0.7300 0.04 . 2 . . . A 86 LEU HD11 . 26060 1 992 . 1 1 86 86 LEU HD12 H 1 0.7300 0.04 . 2 . . . A 86 LEU HD12 . 26060 1 993 . 1 1 86 86 LEU HD13 H 1 0.7300 0.04 . 2 . . . A 86 LEU HD13 . 26060 1 994 . 1 1 86 86 LEU HD21 H 1 0.9100 0.04 . 2 . . . A 86 LEU HD21 . 26060 1 995 . 1 1 86 86 LEU HD22 H 1 0.9100 0.04 . 2 . . . A 86 LEU HD22 . 26060 1 996 . 1 1 86 86 LEU HD23 H 1 0.9100 0.04 . 2 . . . A 86 LEU HD23 . 26060 1 997 . 1 1 86 86 LEU CA C 13 53.2000 0.4 . 1 . . . A 86 LEU CA . 26060 1 998 . 1 1 86 86 LEU CB C 13 45.3000 0.4 . 1 . . . A 86 LEU CB . 26060 1 999 . 1 1 86 86 LEU CG C 13 29.3000 0.4 . 1 . . . A 86 LEU CG . 26060 1 1000 . 1 1 86 86 LEU CD1 C 13 27.5300 0.4 . 1 . . . A 86 LEU CD1 . 26060 1 1001 . 1 1 86 86 LEU CD2 C 13 27.3000 0.4 . 1 . . . A 86 LEU CD2 . 26060 1 1002 . 1 1 86 86 LEU N N 15 108.1300 0.4 . 1 . . . A 86 LEU N . 26060 1 1003 . 1 1 87 87 PRO HA H 1 5.1000 0.04 . 1 . . . A 87 PRO HA . 26060 1 1004 . 1 1 87 87 PRO HB2 H 1 1.7500 0.04 . 2 . . . A 87 PRO HB2 . 26060 1 1005 . 1 1 87 87 PRO HB3 H 1 2.0500 0.04 . 2 . . . A 87 PRO HB3 . 26060 1 1006 . 1 1 87 87 PRO HG2 H 1 1.8200 0.04 . 2 . . . A 87 PRO HG2 . 26060 1 1007 . 1 1 87 87 PRO HG3 H 1 2.0400 0.04 . 2 . . . A 87 PRO HG3 . 26060 1 1008 . 1 1 87 87 PRO HD2 H 1 4.2100 0.04 . 2 . . . A 87 PRO HD2 . 26060 1 1009 . 1 1 87 87 PRO HD3 H 1 4.5700 0.04 . 2 . . . A 87 PRO HD3 . 26060 1 1010 . 1 1 87 87 PRO C C 13 175.3400 0.4 . 1 . . . A 87 PRO C . 26060 1 1011 . 1 1 87 87 PRO CA C 13 63.1100 0.4 . 1 . . . A 87 PRO CA . 26060 1 1012 . 1 1 87 87 PRO CB C 13 31.5600 0.4 . 1 . . . A 87 PRO CB . 26060 1 1013 . 1 1 87 87 PRO CG C 13 28.5800 0.4 . 1 . . . A 87 PRO CG . 26060 1 1014 . 1 1 87 87 PRO CD C 13 50.9000 0.4 . 1 . . . A 87 PRO CD . 26060 1 1015 . 1 1 88 88 ILE H H 1 9.3800 0.04 . 1 . . . A 88 ILE H . 26060 1 1016 . 1 1 88 88 ILE HA H 1 4.7900 0.04 . 1 . . . A 88 ILE HA . 26060 1 1017 . 1 1 88 88 ILE HB H 1 1.6600 0.04 . 1 . . . A 88 ILE HB . 26060 1 1018 . 1 1 88 88 ILE HG12 H 1 0.7500 0.04 . 1 . . . A 88 ILE HG12 . 26060 1 1019 . 1 1 88 88 ILE HG13 H 1 2.2400 0.04 . 1 . . . A 88 ILE HG13 . 26060 1 1020 . 1 1 88 88 ILE HG21 H 1 0.2970 0.04 . 1 . . . A 88 ILE HG21 . 26060 1 1021 . 1 1 88 88 ILE HG22 H 1 0.2970 0.04 . 1 . . . A 88 ILE HG22 . 26060 1 1022 . 1 1 88 88 ILE HG23 H 1 0.2970 0.04 . 1 . . . A 88 ILE HG23 . 26060 1 1023 . 1 1 88 88 ILE HD11 H 1 0.5880 0.04 . 1 . . . A 88 ILE HD11 . 26060 1 1024 . 1 1 88 88 ILE HD12 H 1 0.5880 0.04 . 1 . . . A 88 ILE HD12 . 26060 1 1025 . 1 1 88 88 ILE HD13 H 1 0.5880 0.04 . 1 . . . A 88 ILE HD13 . 26060 1 1026 . 1 1 88 88 ILE C C 13 176.1000 0.4 . 1 . . . A 88 ILE C . 26060 1 1027 . 1 1 88 88 ILE CA C 13 60.5600 0.4 . 1 . . . A 88 ILE CA . 26060 1 1028 . 1 1 88 88 ILE CB C 13 42.0000 0.4 . 1 . . . A 88 ILE CB . 26060 1 1029 . 1 1 88 88 ILE CG1 C 13 27.8000 0.4 . 1 . . . A 88 ILE CG1 . 26060 1 1030 . 1 1 88 88 ILE CG2 C 13 16.9000 0.4 . 1 . . . A 88 ILE CG2 . 26060 1 1031 . 1 1 88 88 ILE CD1 C 13 14.0600 0.4 . 1 . . . A 88 ILE CD1 . 26060 1 1032 . 1 1 88 88 ILE N N 15 126.0000 0.4 . 1 . . . A 88 ILE N . 26060 1 1033 . 1 1 89 89 GLU H H 1 9.3200 0.04 . 1 . . . A 89 GLU H . 26060 1 1034 . 1 1 89 89 GLU HA H 1 5.2000 0.04 . 1 . . . A 89 GLU HA . 26060 1 1035 . 1 1 89 89 GLU HB2 H 1 1.6600 0.04 . 2 . . . A 89 GLU HB2 . 26060 1 1036 . 1 1 89 89 GLU HB3 H 1 2.2200 0.04 . 2 . . . A 89 GLU HB3 . 26060 1 1037 . 1 1 89 89 GLU HG2 H 1 1.8100 0.04 . 2 . . . A 89 GLU HG2 . 26060 1 1038 . 1 1 89 89 GLU HG3 H 1 2.1400 0.04 . 2 . . . A 89 GLU HG3 . 26060 1 1039 . 1 1 89 89 GLU C C 13 173.8000 0.4 . 1 . . . A 89 GLU C . 26060 1 1040 . 1 1 89 89 GLU CA C 13 53.9700 0.4 . 1 . . . A 89 GLU CA . 26060 1 1041 . 1 1 89 89 GLU CB C 13 34.3800 0.4 . 1 . . . A 89 GLU CB . 26060 1 1042 . 1 1 89 89 GLU CG C 13 37.9700 0.4 . 1 . . . A 89 GLU CG . 26060 1 1043 . 1 1 89 89 GLU N N 15 123.9000 0.4 . 1 . . . A 89 GLU N . 26060 1 1044 . 1 1 90 90 VAL H H 1 8.6300 0.04 . 1 . . . A 90 VAL H . 26060 1 1045 . 1 1 90 90 VAL HA H 1 4.1600 0.04 . 1 . . . A 90 VAL HA . 26060 1 1046 . 1 1 90 90 VAL HB H 1 1.8300 0.04 . 1 . . . A 90 VAL HB . 26060 1 1047 . 1 1 90 90 VAL HG11 H 1 0.5700 0.04 . 2 . . . A 90 VAL HG11 . 26060 1 1048 . 1 1 90 90 VAL HG12 H 1 0.5700 0.04 . 2 . . . A 90 VAL HG12 . 26060 1 1049 . 1 1 90 90 VAL HG13 H 1 0.5700 0.04 . 2 . . . A 90 VAL HG13 . 26060 1 1050 . 1 1 90 90 VAL HG21 H 1 0.8200 0.04 . 2 . . . A 90 VAL HG21 . 26060 1 1051 . 1 1 90 90 VAL HG22 H 1 0.8200 0.04 . 2 . . . A 90 VAL HG22 . 26060 1 1052 . 1 1 90 90 VAL HG23 H 1 0.8200 0.04 . 2 . . . A 90 VAL HG23 . 26060 1 1053 . 1 1 90 90 VAL C C 13 174.8000 0.4 . 1 . . . A 90 VAL C . 26060 1 1054 . 1 1 90 90 VAL CA C 13 61.9900 0.4 . 1 . . . A 90 VAL CA . 26060 1 1055 . 1 1 90 90 VAL CB C 13 32.4900 0.4 . 1 . . . A 90 VAL CB . 26060 1 1056 . 1 1 90 90 VAL CG1 C 13 22.2000 0.4 . 1 . . . A 90 VAL CG1 . 26060 1 1057 . 1 1 90 90 VAL CG2 C 13 20.6000 0.4 . 1 . . . A 90 VAL CG2 . 26060 1 1058 . 1 1 90 90 VAL N N 15 123.9800 0.4 . 1 . . . A 90 VAL N . 26060 1 1059 . 1 1 91 91 TYR H H 1 8.6400 0.04 . 1 . . . A 91 TYR H . 26060 1 1060 . 1 1 91 91 TYR HA H 1 4.6600 0.04 . 1 . . . A 91 TYR HA . 26060 1 1061 . 1 1 91 91 TYR HB3 H 1 2.9800 0.04 . 2 . . . A 91 TYR HB3 . 26060 1 1062 . 1 1 91 91 TYR HD1 H 1 6.9900 0.04 . 3 . . . A 91 TYR HD1 . 26060 1 1063 . 1 1 91 91 TYR HD2 H 1 6.9900 0.04 . 3 . . . A 91 TYR HD2 . 26060 1 1064 . 1 1 91 91 TYR HE1 H 1 6.7100 0.04 . 3 . . . A 91 TYR HE1 . 26060 1 1065 . 1 1 91 91 TYR HE2 H 1 6.7100 0.04 . 3 . . . A 91 TYR HE2 . 26060 1 1066 . 1 1 91 91 TYR C C 13 176.8000 0.4 . 1 . . . A 91 TYR C . 26060 1 1067 . 1 1 91 91 TYR CA C 13 56.7000 0.4 . 1 . . . A 91 TYR CA . 26060 1 1068 . 1 1 91 91 TYR CB C 13 40.2400 0.4 . 1 . . . A 91 TYR CB . 26060 1 1069 . 1 1 91 91 TYR CD1 C 13 133.1800 0.4 . 2 . . . A 91 TYR CD1 . 26060 1 1070 . 1 1 91 91 TYR CD2 C 13 133.1800 0.4 . 2 . . . A 91 TYR CD2 . 26060 1 1071 . 1 1 91 91 TYR CE1 C 13 118.9300 0.4 . 2 . . . A 91 TYR CE1 . 26060 1 1072 . 1 1 91 91 TYR CE2 C 13 118.9300 0.4 . 2 . . . A 91 TYR CE2 . 26060 1 1073 . 1 1 91 91 TYR N N 15 124.2300 0.4 . 1 . . . A 91 TYR N . 26060 1 1074 . 1 1 92 92 PHE H H 1 8.7500 0.04 . 1 . . . A 92 PHE H . 26060 1 1075 . 1 1 92 92 PHE HA H 1 5.6600 0.04 . 1 . . . A 92 PHE HA . 26060 1 1076 . 1 1 92 92 PHE HB2 H 1 2.8300 0.04 . 2 . . . A 92 PHE HB2 . 26060 1 1077 . 1 1 92 92 PHE HB3 H 1 3.4200 0.04 . 2 . . . A 92 PHE HB3 . 26060 1 1078 . 1 1 92 92 PHE HD1 H 1 7.4500 0.04 . 3 . . . A 92 PHE HD1 . 26060 1 1079 . 1 1 92 92 PHE HD2 H 1 7.4500 0.04 . 3 . . . A 92 PHE HD2 . 26060 1 1080 . 1 1 92 92 PHE HE1 H 1 7.1900 0.04 . 3 . . . A 92 PHE HE1 . 26060 1 1081 . 1 1 92 92 PHE HE2 H 1 7.1900 0.04 . 3 . . . A 92 PHE HE2 . 26060 1 1082 . 1 1 92 92 PHE HZ H 1 7.2100 0.04 . 1 . . . A 92 PHE HZ . 26060 1 1083 . 1 1 92 92 PHE CA C 13 56.5100 0.4 . 1 . . . A 92 PHE CA . 26060 1 1084 . 1 1 92 92 PHE CB C 13 42.7000 0.4 . 1 . . . A 92 PHE CB . 26060 1 1085 . 1 1 92 92 PHE CD1 C 13 131.6000 0.4 . 2 . . . A 92 PHE CD1 . 26060 1 1086 . 1 1 92 92 PHE CD2 C 13 131.6000 0.4 . 2 . . . A 92 PHE CD2 . 26060 1 1087 . 1 1 92 92 PHE CE1 C 13 130.5500 0.4 . 2 . . . A 92 PHE CE1 . 26060 1 1088 . 1 1 92 92 PHE CE2 C 13 130.5500 0.4 . 2 . . . A 92 PHE CE2 . 26060 1 1089 . 1 1 92 92 PHE CZ C 13 129.7000 0.4 . 1 . . . A 92 PHE CZ . 26060 1 1090 . 1 1 92 92 PHE N N 15 121.2000 0.4 . 1 . . . A 92 PHE N . 26060 1 1091 . 1 1 93 93 LYS H H 1 8.5600 0.04 . 1 . . . A 93 LYS H . 26060 1 1092 . 1 1 93 93 LYS HA H 1 4.6000 0.04 . 1 . . . A 93 LYS HA . 26060 1 1093 . 1 1 93 93 LYS HB2 H 1 1.6100 0.04 . 2 . . . A 93 LYS HB2 . 26060 1 1094 . 1 1 93 93 LYS HB3 H 1 2.1300 0.04 . 2 . . . A 93 LYS HB3 . 26060 1 1095 . 1 1 93 93 LYS HG2 H 1 1.1000 0.04 . 2 . . . A 93 LYS HG2 . 26060 1 1096 . 1 1 93 93 LYS HG3 H 1 1.3700 0.04 . 2 . . . A 93 LYS HG3 . 26060 1 1097 . 1 1 93 93 LYS HD2 H 1 1.5500 0.04 . 2 . . . A 93 LYS HD2 . 26060 1 1098 . 1 1 93 93 LYS HD3 H 1 1.7100 0.04 . 2 . . . A 93 LYS HD3 . 26060 1 1099 . 1 1 93 93 LYS HE2 H 1 3.0200 0.04 . 2 . . . A 93 LYS HE2 . 26060 1 1100 . 1 1 93 93 LYS HE3 H 1 3.1800 0.04 . 2 . . . A 93 LYS HE3 . 26060 1 1101 . 1 1 93 93 LYS C C 13 174.2000 0.4 . 1 . . . A 93 LYS C . 26060 1 1102 . 1 1 93 93 LYS CA C 13 55.1800 0.4 . 1 . . . A 93 LYS CA . 26060 1 1103 . 1 1 93 93 LYS CB C 13 31.6800 0.4 . 1 . . . A 93 LYS CB . 26060 1 1104 . 1 1 93 93 LYS CG C 13 25.5400 0.4 . 1 . . . A 93 LYS CG . 26060 1 1105 . 1 1 93 93 LYS CD C 13 30.1100 0.4 . 1 . . . A 93 LYS CD . 26060 1 1106 . 1 1 93 93 LYS CE C 13 42.0300 0.4 . 1 . . . A 93 LYS CE . 26060 1 1107 . 1 1 93 93 LYS N N 15 123.4500 0.4 . 1 . . . A 93 LYS N . 26060 1 1108 . 1 1 94 94 ASN H H 1 7.8200 0.04 . 1 . . . A 94 ASN H . 26060 1 1109 . 1 1 94 94 ASN HA H 1 4.4400 0.04 . 1 . . . A 94 ASN HA . 26060 1 1110 . 1 1 94 94 ASN HB3 H 1 1.9000 0.04 . 2 . . . A 94 ASN HB3 . 26060 1 1111 . 1 1 94 94 ASN CA C 13 51.2100 0.4 . 1 . . . A 94 ASN CA . 26060 1 1112 . 1 1 94 94 ASN CB C 13 39.8000 0.4 . 1 . . . A 94 ASN CB . 26060 1 1113 . 1 1 94 94 ASN N N 15 118.8000 0.4 . 1 . . . A 94 ASN N . 26060 1 1114 . 1 1 95 95 LYS HA H 1 4.3300 0.04 . 1 . . . A 95 LYS HA . 26060 1 1115 . 1 1 95 95 LYS HB2 H 1 1.7500 0.04 . 2 . . . A 95 LYS HB2 . 26060 1 1116 . 1 1 95 95 LYS HB3 H 1 1.9300 0.04 . 2 . . . A 95 LYS HB3 . 26060 1 1117 . 1 1 95 95 LYS HG2 H 1 1.4000 0.04 . 2 . . . A 95 LYS HG2 . 26060 1 1118 . 1 1 95 95 LYS HG3 H 1 1.4400 0.04 . 2 . . . A 95 LYS HG3 . 26060 1 1119 . 1 1 95 95 LYS HD3 H 1 1.6900 0.04 . 2 . . . A 95 LYS HD3 . 26060 1 1120 . 1 1 95 95 LYS HE3 H 1 2.9800 0.04 . 2 . . . A 95 LYS HE3 . 26060 1 1121 . 1 1 95 95 LYS C C 13 175.8000 0.4 . 1 . . . A 95 LYS C . 26060 1 1122 . 1 1 95 95 LYS CA C 13 56.2100 0.4 . 1 . . . A 95 LYS CA . 26060 1 1123 . 1 1 95 95 LYS CB C 13 33.0100 0.4 . 1 . . . A 95 LYS CB . 26060 1 1124 . 1 1 95 95 LYS CG C 13 25.0700 0.4 . 1 . . . A 95 LYS CG . 26060 1 1125 . 1 1 95 95 LYS CD C 13 29.1000 0.4 . 1 . . . A 95 LYS CD . 26060 1 1126 . 1 1 95 95 LYS CE C 13 42.0300 0.4 . 1 . . . A 95 LYS CE . 26060 1 1127 . 1 1 96 96 GLU H H 1 7.1200 0.04 . 1 . . . A 96 GLU H . 26060 1 1128 . 1 1 96 96 GLU HA H 1 4.5100 0.04 . 1 . . . A 96 GLU HA . 26060 1 1129 . 1 1 96 96 GLU HB2 H 1 1.9000 0.04 . 2 . . . A 96 GLU HB2 . 26060 1 1130 . 1 1 96 96 GLU HB3 H 1 2.1400 0.04 . 2 . . . A 96 GLU HB3 . 26060 1 1131 . 1 1 96 96 GLU HG2 H 1 2.0200 0.04 . 2 . . . A 96 GLU HG2 . 26060 1 1132 . 1 1 96 96 GLU HG3 H 1 2.1500 0.04 . 2 . . . A 96 GLU HG3 . 26060 1 1133 . 1 1 96 96 GLU C C 13 173.2000 0.4 . 1 . . . A 96 GLU C . 26060 1 1134 . 1 1 96 96 GLU CA C 13 54.1000 0.4 . 1 . . . A 96 GLU CA . 26060 1 1135 . 1 1 96 96 GLU CB C 13 31.4700 0.4 . 1 . . . A 96 GLU CB . 26060 1 1136 . 1 1 96 96 GLU CG C 13 35.6900 0.4 . 1 . . . A 96 GLU CG . 26060 1 1137 . 1 1 96 96 GLU N N 15 118.3300 0.4 . 1 . . . A 96 GLU N . 26060 1 1138 . 1 1 97 97 GLU H H 1 8.0600 0.04 . 1 . . . A 97 GLU H . 26060 1 1139 . 1 1 97 97 GLU HA H 1 4.4300 0.04 . 1 . . . A 97 GLU HA . 26060 1 1140 . 1 1 97 97 GLU HB2 H 1 1.8200 0.04 . 2 . . . A 97 GLU HB2 . 26060 1 1141 . 1 1 97 97 GLU HB3 H 1 2.0600 0.04 . 2 . . . A 97 GLU HB3 . 26060 1 1142 . 1 1 97 97 GLU HG2 H 1 2.3100 0.04 . 2 . . . A 97 GLU HG2 . 26060 1 1143 . 1 1 97 97 GLU HG3 H 1 2.4200 0.04 . 2 . . . A 97 GLU HG3 . 26060 1 1144 . 1 1 97 97 GLU CA C 13 54.8600 0.4 . 1 . . . A 97 GLU CA . 26060 1 1145 . 1 1 97 97 GLU CB C 13 29.2700 0.4 . 1 . . . A 97 GLU CB . 26060 1 1146 . 1 1 97 97 GLU CG C 13 35.5000 0.4 . 1 . . . A 97 GLU CG . 26060 1 1147 . 1 1 97 97 GLU N N 15 115.6300 0.4 . 1 . . . A 97 GLU N . 26060 1 1148 . 1 1 98 98 PRO HA H 1 5.0000 0.04 . 1 . . . A 98 PRO HA . 26060 1 1149 . 1 1 98 98 PRO HB2 H 1 2.2100 0.04 . 2 . . . A 98 PRO HB2 . 26060 1 1150 . 1 1 98 98 PRO HB3 H 1 2.4400 0.04 . 2 . . . A 98 PRO HB3 . 26060 1 1151 . 1 1 98 98 PRO HG2 H 1 2.0600 0.04 . 2 . . . A 98 PRO HG2 . 26060 1 1152 . 1 1 98 98 PRO HG3 H 1 2.2000 0.04 . 2 . . . A 98 PRO HG3 . 26060 1 1153 . 1 1 98 98 PRO HD3 H 1 3.6800 0.04 . 2 . . . A 98 PRO HD3 . 26060 1 1154 . 1 1 98 98 PRO C C 13 175.9000 0.4 . 1 . . . A 98 PRO C . 26060 1 1155 . 1 1 98 98 PRO CA C 13 62.1600 0.4 . 1 . . . A 98 PRO CA . 26060 1 1156 . 1 1 98 98 PRO CB C 13 34.0000 0.4 . 1 . . . A 98 PRO CB . 26060 1 1157 . 1 1 98 98 PRO CG C 13 24.8000 0.4 . 1 . . . A 98 PRO CG . 26060 1 1158 . 1 1 98 98 PRO CD C 13 50.1000 0.4 . 1 . . . A 98 PRO CD . 26060 1 1159 . 1 1 99 99 ARG H H 1 8.6020 0.04 . 1 . . . A 99 ARG H . 26060 1 1160 . 1 1 99 99 ARG HA H 1 4.6300 0.04 . 1 . . . A 99 ARG HA . 26060 1 1161 . 1 1 99 99 ARG HB2 H 1 1.8100 0.04 . 2 . . . A 99 ARG HB2 . 26060 1 1162 . 1 1 99 99 ARG HB3 H 1 1.9800 0.04 . 2 . . . A 99 ARG HB3 . 26060 1 1163 . 1 1 99 99 ARG HG3 H 1 1.6100 0.04 . 2 . . . A 99 ARG HG3 . 26060 1 1164 . 1 1 99 99 ARG HD2 H 1 3.0900 0.04 . 2 . . . A 99 ARG HD2 . 26060 1 1165 . 1 1 99 99 ARG HD3 H 1 3.3200 0.04 . 2 . . . A 99 ARG HD3 . 26060 1 1166 . 1 1 99 99 ARG C C 13 175.8000 0.4 . 1 . . . A 99 ARG C . 26060 1 1167 . 1 1 99 99 ARG CA C 13 56.4900 0.4 . 1 . . . A 99 ARG CA . 26060 1 1168 . 1 1 99 99 ARG CB C 13 30.4100 0.4 . 1 . . . A 99 ARG CB . 26060 1 1169 . 1 1 99 99 ARG CG C 13 27.4200 0.4 . 1 . . . A 99 ARG CG . 26060 1 1170 . 1 1 99 99 ARG CD C 13 41.8000 0.4 . 1 . . . A 99 ARG CD . 26060 1 1171 . 1 1 99 99 ARG N N 15 122.8000 0.4 . 1 . . . A 99 ARG N . 26060 1 1172 . 1 1 100 100 LYS H H 1 7.6500 0.04 . 1 . . . A 100 LYS H . 26060 1 1173 . 1 1 100 100 LYS HA H 1 4.9400 0.04 . 1 . . . A 100 LYS HA . 26060 1 1174 . 1 1 100 100 LYS HB2 H 1 0.6000 0.04 . 2 . . . A 100 LYS HB2 . 26060 1 1175 . 1 1 100 100 LYS HB3 H 1 0.8600 0.04 . 2 . . . A 100 LYS HB3 . 26060 1 1176 . 1 1 100 100 LYS HG2 H 1 0.5400 0.04 . 2 . . . A 100 LYS HG2 . 26060 1 1177 . 1 1 100 100 LYS HG3 H 1 0.8800 0.04 . 2 . . . A 100 LYS HG3 . 26060 1 1178 . 1 1 100 100 LYS HD2 H 1 0.8000 0.04 . 2 . . . A 100 LYS HD2 . 26060 1 1179 . 1 1 100 100 LYS HD3 H 1 0.9800 0.04 . 2 . . . A 100 LYS HD3 . 26060 1 1180 . 1 1 100 100 LYS HE2 H 1 2.6400 0.04 . 2 . . . A 100 LYS HE2 . 26060 1 1181 . 1 1 100 100 LYS HE3 H 1 2.7300 0.04 . 2 . . . A 100 LYS HE3 . 26060 1 1182 . 1 1 100 100 LYS C C 13 174.1000 0.4 . 1 . . . A 100 LYS C . 26060 1 1183 . 1 1 100 100 LYS CA C 13 53.9100 0.4 . 1 . . . A 100 LYS CA . 26060 1 1184 . 1 1 100 100 LYS CB C 13 34.7200 0.4 . 1 . . . A 100 LYS CB . 26060 1 1185 . 1 1 100 100 LYS CG C 13 22.1900 0.4 . 1 . . . A 100 LYS CG . 26060 1 1186 . 1 1 100 100 LYS CD C 13 30.0400 0.4 . 1 . . . A 100 LYS CD . 26060 1 1187 . 1 1 100 100 LYS CE C 13 42.3300 0.4 . 1 . . . A 100 LYS CE . 26060 1 1188 . 1 1 100 100 LYS N N 15 113.2200 0.4 . 1 . . . A 100 LYS N . 26060 1 1189 . 1 1 101 101 VAL H H 1 8.1200 0.04 . 1 . . . A 101 VAL H . 26060 1 1190 . 1 1 101 101 VAL HA H 1 4.2700 0.04 . 1 . . . A 101 VAL HA . 26060 1 1191 . 1 1 101 101 VAL HB H 1 1.8100 0.04 . 1 . . . A 101 VAL HB . 26060 1 1192 . 1 1 101 101 VAL HG11 H 1 0.8100 0.04 . 2 . . . A 101 VAL HG11 . 26060 1 1193 . 1 1 101 101 VAL HG12 H 1 0.8100 0.04 . 2 . . . A 101 VAL HG12 . 26060 1 1194 . 1 1 101 101 VAL HG13 H 1 0.8100 0.04 . 2 . . . A 101 VAL HG13 . 26060 1 1195 . 1 1 101 101 VAL HG21 H 1 0.6900 0.04 . 2 . . . A 101 VAL HG21 . 26060 1 1196 . 1 1 101 101 VAL HG22 H 1 0.6900 0.04 . 2 . . . A 101 VAL HG22 . 26060 1 1197 . 1 1 101 101 VAL HG23 H 1 0.6900 0.04 . 2 . . . A 101 VAL HG23 . 26060 1 1198 . 1 1 101 101 VAL C C 13 171.6000 0.4 . 1 . . . A 101 VAL C . 26060 1 1199 . 1 1 101 101 VAL CA C 13 60.2600 0.4 . 1 . . . A 101 VAL CA . 26060 1 1200 . 1 1 101 101 VAL CB C 13 35.1800 0.4 . 1 . . . A 101 VAL CB . 26060 1 1201 . 1 1 101 101 VAL CG1 C 13 21.2000 0.4 . 1 . . . A 101 VAL CG1 . 26060 1 1202 . 1 1 101 101 VAL CG2 C 13 20.6000 0.4 . 1 . . . A 101 VAL CG2 . 26060 1 1203 . 1 1 101 101 VAL N N 15 116.2300 0.4 . 1 . . . A 101 VAL N . 26060 1 1204 . 1 1 102 102 ARG H H 1 7.9300 0.04 . 1 . . . A 102 ARG H . 26060 1 1205 . 1 1 102 102 ARG HA H 1 5.1600 0.04 . 1 . . . A 102 ARG HA . 26060 1 1206 . 1 1 102 102 ARG HB2 H 1 1.4100 0.04 . 2 . . . A 102 ARG HB2 . 26060 1 1207 . 1 1 102 102 ARG HB3 H 1 1.5200 0.04 . 2 . . . A 102 ARG HB3 . 26060 1 1208 . 1 1 102 102 ARG HG3 H 1 1.2000 0.04 . 2 . . . A 102 ARG HG3 . 26060 1 1209 . 1 1 102 102 ARG HD2 H 1 2.9000 0.04 . 2 . . . A 102 ARG HD2 . 26060 1 1210 . 1 1 102 102 ARG HD3 H 1 3.0300 0.04 . 2 . . . A 102 ARG HD3 . 26060 1 1211 . 1 1 102 102 ARG C C 13 174.3400 0.4 . 1 . . . A 102 ARG C . 26060 1 1212 . 1 1 102 102 ARG CA C 13 53.7500 0.4 . 1 . . . A 102 ARG CA . 26060 1 1213 . 1 1 102 102 ARG CB C 13 33.3500 0.4 . 1 . . . A 102 ARG CB . 26060 1 1214 . 1 1 102 102 ARG CG C 13 27.6800 0.4 . 1 . . . A 102 ARG CG . 26060 1 1215 . 1 1 102 102 ARG CD C 13 43.3800 0.4 . 1 . . . A 102 ARG CD . 26060 1 1216 . 1 1 102 102 ARG N N 15 124.9800 0.4 . 1 . . . A 102 ARG N . 26060 1 1217 . 1 1 103 103 PHE H H 1 9.3900 0.04 . 1 . . . A 103 PHE H . 26060 1 1218 . 1 1 103 103 PHE HA H 1 4.7920 0.04 . 1 . . . A 103 PHE HA . 26060 1 1219 . 1 1 103 103 PHE HB2 H 1 2.6100 0.04 . 2 . . . A 103 PHE HB2 . 26060 1 1220 . 1 1 103 103 PHE HB3 H 1 2.8800 0.04 . 2 . . . A 103 PHE HB3 . 26060 1 1221 . 1 1 103 103 PHE HD1 H 1 7.0400 0.04 . 3 . . . A 103 PHE HD1 . 26060 1 1222 . 1 1 103 103 PHE HD2 H 1 7.0400 0.04 . 3 . . . A 103 PHE HD2 . 26060 1 1223 . 1 1 103 103 PHE HE1 H 1 7.0800 0.04 . 3 . . . A 103 PHE HE1 . 26060 1 1224 . 1 1 103 103 PHE HE2 H 1 7.0800 0.04 . 3 . . . A 103 PHE HE2 . 26060 1 1225 . 1 1 103 103 PHE HZ H 1 7.0600 0.04 . 1 . . . A 103 PHE HZ . 26060 1 1226 . 1 1 103 103 PHE C C 13 174.2800 0.4 . 1 . . . A 103 PHE C . 26060 1 1227 . 1 1 103 103 PHE CA C 13 55.9800 0.4 . 1 . . . A 103 PHE CA . 26060 1 1228 . 1 1 103 103 PHE CB C 13 42.2500 0.4 . 1 . . . A 103 PHE CB . 26060 1 1229 . 1 1 103 103 PHE CD1 C 13 131.9400 0.4 . 2 . . . A 103 PHE CD1 . 26060 1 1230 . 1 1 103 103 PHE CD2 C 13 131.9400 0.4 . 2 . . . A 103 PHE CD2 . 26060 1 1231 . 1 1 103 103 PHE CE1 C 13 130.5500 0.4 . 2 . . . A 103 PHE CE1 . 26060 1 1232 . 1 1 103 103 PHE CE2 C 13 130.5000 0.4 . 2 . . . A 103 PHE CE2 . 26060 1 1233 . 1 1 103 103 PHE CZ C 13 128.9000 0.4 . 1 . . . A 103 PHE CZ . 26060 1 1234 . 1 1 103 103 PHE N N 15 124.5900 0.4 . 1 . . . A 103 PHE N . 26060 1 1235 . 1 1 104 104 ASP H H 1 9.0100 0.04 . 1 . . . A 104 ASP H . 26060 1 1236 . 1 1 104 104 ASP HA H 1 4.7990 0.04 . 1 . . . A 104 ASP HA . 26060 1 1237 . 1 1 104 104 ASP HB2 H 1 2.1800 0.04 . 2 . . . A 104 ASP HB2 . 26060 1 1238 . 1 1 104 104 ASP HB3 H 1 2.5500 0.04 . 2 . . . A 104 ASP HB3 . 26060 1 1239 . 1 1 104 104 ASP C C 13 174.5000 0.4 . 1 . . . A 104 ASP C . 26060 1 1240 . 1 1 104 104 ASP CA C 13 54.3900 0.4 . 1 . . . A 104 ASP CA . 26060 1 1241 . 1 1 104 104 ASP CB C 13 40.2300 0.4 . 1 . . . A 104 ASP CB . 26060 1 1242 . 1 1 104 104 ASP N N 15 124.7000 0.4 . 1 . . . A 104 ASP N . 26060 1 1243 . 1 1 105 105 TYR H H 1 8.1400 0.04 . 1 . . . A 105 TYR H . 26060 1 1244 . 1 1 105 105 TYR HA H 1 4.1000 0.04 . 1 . . . A 105 TYR HA . 26060 1 1245 . 1 1 105 105 TYR HB2 H 1 2.4200 0.04 . 2 . . . A 105 TYR HB2 . 26060 1 1246 . 1 1 105 105 TYR HB3 H 1 3.5400 0.04 . 2 . . . A 105 TYR HB3 . 26060 1 1247 . 1 1 105 105 TYR HD1 H 1 6.4300 0.04 . 3 . . . A 105 TYR HD1 . 26060 1 1248 . 1 1 105 105 TYR HD2 H 1 6.4300 0.04 . 3 . . . A 105 TYR HD2 . 26060 1 1249 . 1 1 105 105 TYR HE1 H 1 6.0800 0.04 . 3 . . . A 105 TYR HE1 . 26060 1 1250 . 1 1 105 105 TYR HE2 H 1 6.0800 0.04 . 3 . . . A 105 TYR HE2 . 26060 1 1251 . 1 1 105 105 TYR C C 13 173.1000 0.4 . 1 . . . A 105 TYR C . 26060 1 1252 . 1 1 105 105 TYR CA C 13 58.6800 0.4 . 1 . . . A 105 TYR CA . 26060 1 1253 . 1 1 105 105 TYR CB C 13 41.8500 0.4 . 1 . . . A 105 TYR CB . 26060 1 1254 . 1 1 105 105 TYR CD1 C 13 131.6000 0.4 . 2 . . . A 105 TYR CD1 . 26060 1 1255 . 1 1 105 105 TYR CD2 C 13 131.6000 0.4 . 2 . . . A 105 TYR CD2 . 26060 1 1256 . 1 1 105 105 TYR CE1 C 13 117.1700 0.4 . 2 . . . A 105 TYR CE1 . 26060 1 1257 . 1 1 105 105 TYR CE2 C 13 117.1700 0.4 . 2 . . . A 105 TYR CE2 . 26060 1 1258 . 1 1 105 105 TYR N N 15 129.8400 0.4 . 1 . . . A 105 TYR N . 26060 1 1259 . 1 1 106 106 ASP H H 1 7.7300 0.04 . 1 . . . A 106 ASP H . 26060 1 1260 . 1 1 106 106 ASP HA H 1 4.2200 0.04 . 1 . . . A 106 ASP HA . 26060 1 1261 . 1 1 106 106 ASP HB2 H 1 2.1300 0.04 . 2 . . . A 106 ASP HB2 . 26060 1 1262 . 1 1 106 106 ASP HB3 H 1 2.5100 0.04 . 2 . . . A 106 ASP HB3 . 26060 1 1263 . 1 1 106 106 ASP C C 13 172.9000 0.4 . 1 . . . A 106 ASP C . 26060 1 1264 . 1 1 106 106 ASP CA C 13 53.5100 0.4 . 1 . . . A 106 ASP CA . 26060 1 1265 . 1 1 106 106 ASP CB C 13 39.5000 0.4 . 1 . . . A 106 ASP CB . 26060 1 1266 . 1 1 106 106 ASP N N 15 126.8000 0.4 . 1 . . . A 106 ASP N . 26060 1 1267 . 1 1 107 107 LEU H H 1 7.7700 0.04 . 1 . . . A 107 LEU H . 26060 1 1268 . 1 1 107 107 LEU HA H 1 2.8400 0.04 . 1 . . . A 107 LEU HA . 26060 1 1269 . 1 1 107 107 LEU HB2 H 1 0.1800 0.04 . 2 . . . A 107 LEU HB2 . 26060 1 1270 . 1 1 107 107 LEU HB3 H 1 1.1300 0.04 . 2 . . . A 107 LEU HB3 . 26060 1 1271 . 1 1 107 107 LEU HG H 1 -0.1400 0.04 . 1 . . . A 107 LEU HG . 26060 1 1272 . 1 1 107 107 LEU HD11 H 1 -0.6400 0.04 . 2 . . . A 107 LEU HD11 . 26060 1 1273 . 1 1 107 107 LEU HD12 H 1 -0.6400 0.04 . 2 . . . A 107 LEU HD12 . 26060 1 1274 . 1 1 107 107 LEU HD13 H 1 -0.6400 0.04 . 2 . . . A 107 LEU HD13 . 26060 1 1275 . 1 1 107 107 LEU HD21 H 1 -0.8800 0.04 . 2 . . . A 107 LEU HD21 . 26060 1 1276 . 1 1 107 107 LEU HD22 H 1 -0.8800 0.04 . 2 . . . A 107 LEU HD22 . 26060 1 1277 . 1 1 107 107 LEU HD23 H 1 -0.8800 0.04 . 2 . . . A 107 LEU HD23 . 26060 1 1278 . 1 1 107 107 LEU C C 13 172.1000 0.4 . 1 . . . A 107 LEU C . 26060 1 1279 . 1 1 107 107 LEU CA C 13 53.7000 0.4 . 1 . . . A 107 LEU CA . 26060 1 1280 . 1 1 107 107 LEU CB C 13 39.2400 0.4 . 1 . . . A 107 LEU CB . 26060 1 1281 . 1 1 107 107 LEU CG C 13 27.6000 0.4 . 1 . . . A 107 LEU CG . 26060 1 1282 . 1 1 107 107 LEU CD1 C 13 24.2700 0.4 . 1 . . . A 107 LEU CD1 . 26060 1 1283 . 1 1 107 107 LEU CD2 C 13 23.5000 0.4 . 1 . . . A 107 LEU CD2 . 26060 1 1284 . 1 1 107 107 LEU N N 15 132.1500 0.4 . 1 . . . A 107 LEU N . 26060 1 1285 . 1 1 108 108 PHE H H 1 6.0600 0.04 . 1 . . . A 108 PHE H . 26060 1 1286 . 1 1 108 108 PHE HA H 1 4.6900 0.04 . 1 . . . A 108 PHE HA . 26060 1 1287 . 1 1 108 108 PHE HB2 H 1 2.6400 0.04 . 2 . . . A 108 PHE HB2 . 26060 1 1288 . 1 1 108 108 PHE HB3 H 1 2.9500 0.04 . 2 . . . A 108 PHE HB3 . 26060 1 1289 . 1 1 108 108 PHE HD1 H 1 6.8160 0.04 . 3 . . . A 108 PHE HD1 . 26060 1 1290 . 1 1 108 108 PHE HD2 H 1 6.8160 0.04 . 3 . . . A 108 PHE HD2 . 26060 1 1291 . 1 1 108 108 PHE HE1 H 1 6.8800 0.04 . 3 . . . A 108 PHE HE1 . 26060 1 1292 . 1 1 108 108 PHE HE2 H 1 6.8800 0.04 . 3 . . . A 108 PHE HE2 . 26060 1 1293 . 1 1 108 108 PHE HZ H 1 7.0600 0.04 . 1 . . . A 108 PHE HZ . 26060 1 1294 . 1 1 108 108 PHE C C 13 174.3000 0.4 . 1 . . . A 108 PHE C . 26060 1 1295 . 1 1 108 108 PHE CA C 13 54.6900 0.4 . 1 . . . A 108 PHE CA . 26060 1 1296 . 1 1 108 108 PHE CB C 13 40.2900 0.4 . 1 . . . A 108 PHE CB . 26060 1 1297 . 1 1 108 108 PHE CD1 C 13 132.9900 0.4 . 2 . . . A 108 PHE CD1 . 26060 1 1298 . 1 1 108 108 PHE CD2 C 13 132.9900 0.4 . 2 . . . A 108 PHE CD2 . 26060 1 1299 . 1 1 108 108 PHE CE1 C 13 131.9700 0.4 . 2 . . . A 108 PHE CE1 . 26060 1 1300 . 1 1 108 108 PHE CE2 C 13 131.9700 0.4 . 2 . . . A 108 PHE CE2 . 26060 1 1301 . 1 1 108 108 PHE CZ C 13 130.3500 0.4 . 1 . . . A 108 PHE CZ . 26060 1 1302 . 1 1 108 108 PHE N N 15 118.9600 0.4 . 1 . . . A 108 PHE N . 26060 1 1303 . 1 1 109 109 LEU H H 1 8.3880 0.04 . 1 . . . A 109 LEU H . 26060 1 1304 . 1 1 109 109 LEU HA H 1 4.4000 0.04 . 1 . . . A 109 LEU HA . 26060 1 1305 . 1 1 109 109 LEU HB2 H 1 0.7040 0.04 . 2 . . . A 109 LEU HB2 . 26060 1 1306 . 1 1 109 109 LEU HB3 H 1 1.1100 0.04 . 2 . . . A 109 LEU HB3 . 26060 1 1307 . 1 1 109 109 LEU HG H 1 1.0100 0.04 . 1 . . . A 109 LEU HG . 26060 1 1308 . 1 1 109 109 LEU HD11 H 1 -0.0700 0.04 . 2 . . . A 109 LEU HD11 . 26060 1 1309 . 1 1 109 109 LEU HD12 H 1 -0.0700 0.04 . 2 . . . A 109 LEU HD12 . 26060 1 1310 . 1 1 109 109 LEU HD13 H 1 -0.0700 0.04 . 2 . . . A 109 LEU HD13 . 26060 1 1311 . 1 1 109 109 LEU HD21 H 1 0.2380 0.04 . 2 . . . A 109 LEU HD21 . 26060 1 1312 . 1 1 109 109 LEU HD22 H 1 0.2380 0.04 . 2 . . . A 109 LEU HD22 . 26060 1 1313 . 1 1 109 109 LEU HD23 H 1 0.2380 0.04 . 2 . . . A 109 LEU HD23 . 26060 1 1314 . 1 1 109 109 LEU CA C 13 52.1600 0.4 . 1 . . . A 109 LEU CA . 26060 1 1315 . 1 1 109 109 LEU CB C 13 43.0800 0.4 . 1 . . . A 109 LEU CB . 26060 1 1316 . 1 1 109 109 LEU CG C 13 26.5000 0.4 . 1 . . . A 109 LEU CG . 26060 1 1317 . 1 1 109 109 LEU CD1 C 13 23.0000 0.4 . 1 . . . A 109 LEU CD1 . 26060 1 1318 . 1 1 109 109 LEU CD2 C 13 22.2000 0.4 . 1 . . . A 109 LEU CD2 . 26060 1 1319 . 1 1 109 109 LEU N N 15 118.9000 0.4 . 1 . . . A 109 LEU N . 26060 1 1320 . 1 1 111 111 LEU HA H 1 4.4400 0.04 . 1 . . . A 111 LEU HA . 26060 1 1321 . 1 1 111 111 LEU HB2 H 1 1.4200 0.04 . 2 . . . A 111 LEU HB2 . 26060 1 1322 . 1 1 111 111 LEU HB3 H 1 1.6600 0.04 . 2 . . . A 111 LEU HB3 . 26060 1 1323 . 1 1 111 111 LEU HG H 1 1.4600 0.04 . 1 . . . A 111 LEU HG . 26060 1 1324 . 1 1 111 111 LEU HD11 H 1 0.8100 0.04 . 2 . . . A 111 LEU HD11 . 26060 1 1325 . 1 1 111 111 LEU HD12 H 1 0.8100 0.04 . 2 . . . A 111 LEU HD12 . 26060 1 1326 . 1 1 111 111 LEU HD13 H 1 0.8100 0.04 . 2 . . . A 111 LEU HD13 . 26060 1 1327 . 1 1 111 111 LEU HD21 H 1 0.9650 0.04 . 2 . . . A 111 LEU HD21 . 26060 1 1328 . 1 1 111 111 LEU HD22 H 1 0.9650 0.04 . 2 . . . A 111 LEU HD22 . 26060 1 1329 . 1 1 111 111 LEU HD23 H 1 0.9650 0.04 . 2 . . . A 111 LEU HD23 . 26060 1 1330 . 1 1 111 111 LEU C C 13 177.3000 0.4 . 1 . . . A 111 LEU C . 26060 1 1331 . 1 1 111 111 LEU CA C 13 54.2200 0.4 . 1 . . . A 111 LEU CA . 26060 1 1332 . 1 1 111 111 LEU CB C 13 43.8700 0.4 . 1 . . . A 111 LEU CB . 26060 1 1333 . 1 1 111 111 LEU CG C 13 27.3000 0.4 . 1 . . . A 111 LEU CG . 26060 1 1334 . 1 1 111 111 LEU CD1 C 13 25.3300 0.4 . 1 . . . A 111 LEU CD1 . 26060 1 1335 . 1 1 111 111 LEU CD2 C 13 22.8900 0.4 . 1 . . . A 111 LEU CD2 . 26060 1 1336 . 1 1 112 112 GLU H H 1 8.7800 0.04 . 1 . . . A 112 GLU H . 26060 1 1337 . 1 1 112 112 GLU HA H 1 4.1700 0.04 . 1 . . . A 112 GLU HA . 26060 1 1338 . 1 1 112 112 GLU HB2 H 1 2.0300 0.04 . 2 . . . A 112 GLU HB2 . 26060 1 1339 . 1 1 112 112 GLU HB3 H 1 2.0900 0.04 . 2 . . . A 112 GLU HB3 . 26060 1 1340 . 1 1 112 112 GLU HG3 H 1 2.3100 0.04 . 2 . . . A 112 GLU HG3 . 26060 1 1341 . 1 1 112 112 GLU CA C 13 58.4600 0.4 . 1 . . . A 112 GLU CA . 26060 1 1342 . 1 1 112 112 GLU CB C 13 29.6900 0.4 . 1 . . . A 112 GLU CB . 26060 1 1343 . 1 1 112 112 GLU CG C 13 36.0900 0.4 . 1 . . . A 112 GLU CG . 26060 1 1344 . 1 1 112 112 GLU N N 15 120.6600 0.4 . 1 . . . A 112 GLU N . 26060 1 1345 . 1 1 113 113 GLY HA2 H 1 3.6800 0.04 . 2 . . . A 113 GLY HA2 . 26060 1 1346 . 1 1 113 113 GLY HA3 H 1 4.3000 0.04 . 2 . . . A 113 GLY HA3 . 26060 1 1347 . 1 1 113 113 GLY C C 13 173.9000 0.4 . 1 . . . A 113 GLY C . 26060 1 1348 . 1 1 113 113 GLY CA C 13 44.9500 0.4 . 1 . . . A 113 GLY CA . 26060 1 1349 . 1 1 114 114 HIS H H 1 7.9340 0.04 . 1 . . . A 114 HIS H . 26060 1 1350 . 1 1 114 114 HIS HA H 1 4.9060 0.04 . 1 . . . A 114 HIS HA . 26060 1 1351 . 1 1 114 114 HIS HB2 H 1 3.1400 0.04 . 2 . . . A 114 HIS HB2 . 26060 1 1352 . 1 1 114 114 HIS HB3 H 1 3.2870 0.04 . 2 . . . A 114 HIS HB3 . 26060 1 1353 . 1 1 114 114 HIS HD2 H 1 6.8900 0.04 . 1 . . . A 114 HIS HD2 . 26060 1 1354 . 1 1 114 114 HIS CA C 13 54.7700 0.4 . 1 . . . A 114 HIS CA . 26060 1 1355 . 1 1 114 114 HIS CB C 13 30.5900 0.4 . 1 . . . A 114 HIS CB . 26060 1 1356 . 1 1 114 114 HIS CD2 C 13 110.5800 0.4 . 1 . . . A 114 HIS CD2 . 26060 1 1357 . 1 1 114 114 HIS N N 15 120.8900 0.4 . 1 . . . A 114 HIS N . 26060 1 1358 . 1 1 115 115 PRO HA H 1 4.8000 0.04 . 1 . . . A 115 PRO HA . 26060 1 1359 . 1 1 115 115 PRO HB2 H 1 1.9800 0.04 . 2 . . . A 115 PRO HB2 . 26060 1 1360 . 1 1 115 115 PRO HB3 H 1 2.5500 0.04 . 2 . . . A 115 PRO HB3 . 26060 1 1361 . 1 1 115 115 PRO HG2 H 1 2.1000 0.04 . 2 . . . A 115 PRO HG2 . 26060 1 1362 . 1 1 115 115 PRO HG3 H 1 2.1600 0.04 . 2 . . . A 115 PRO HG3 . 26060 1 1363 . 1 1 115 115 PRO HD2 H 1 3.6700 0.04 . 2 . . . A 115 PRO HD2 . 26060 1 1364 . 1 1 115 115 PRO HD3 H 1 3.9100 0.04 . 2 . . . A 115 PRO HD3 . 26060 1 1365 . 1 1 115 115 PRO CA C 13 62.0900 0.4 . 1 . . . A 115 PRO CA . 26060 1 1366 . 1 1 115 115 PRO CB C 13 30.6800 0.4 . 1 . . . A 115 PRO CB . 26060 1 1367 . 1 1 115 115 PRO CG C 13 27.8000 0.4 . 1 . . . A 115 PRO CG . 26060 1 1368 . 1 1 115 115 PRO CD C 13 50.6700 0.4 . 1 . . . A 115 PRO CD . 26060 1 1369 . 1 1 116 116 PRO HB2 H 1 1.9600 0.04 . 2 . . . A 116 PRO HB2 . 26060 1 1370 . 1 1 116 116 PRO HB3 H 1 2.4500 0.04 . 2 . . . A 116 PRO HB3 . 26060 1 1371 . 1 1 116 116 PRO HG2 H 1 2.1000 0.04 . 2 . . . A 116 PRO HG2 . 26060 1 1372 . 1 1 116 116 PRO HG3 H 1 2.1600 0.04 . 2 . . . A 116 PRO HG3 . 26060 1 1373 . 1 1 116 116 PRO HD2 H 1 3.7000 0.04 . 2 . . . A 116 PRO HD2 . 26060 1 1374 . 1 1 116 116 PRO HD3 H 1 3.8800 0.04 . 2 . . . A 116 PRO HD3 . 26060 1 1375 . 1 1 116 116 PRO C C 13 176.6000 0.4 . 1 . . . A 116 PRO C . 26060 1 1376 . 1 1 116 116 PRO CB C 13 32.3000 0.4 . 1 . . . A 116 PRO CB . 26060 1 1377 . 1 1 116 116 PRO CG C 13 27.5700 0.4 . 1 . . . A 116 PRO CG . 26060 1 1378 . 1 1 116 116 PRO CD C 13 50.1600 0.4 . 1 . . . A 116 PRO CD . 26060 1 1379 . 1 1 117 117 VAL H H 1 8.8900 0.04 . 1 . . . A 117 VAL H . 26060 1 1380 . 1 1 117 117 VAL HA H 1 3.7900 0.04 . 1 . . . A 117 VAL HA . 26060 1 1381 . 1 1 117 117 VAL HB H 1 1.7100 0.04 . 1 . . . A 117 VAL HB . 26060 1 1382 . 1 1 117 117 VAL HG11 H 1 0.1800 0.04 . 2 . . . A 117 VAL HG11 . 26060 1 1383 . 1 1 117 117 VAL HG12 H 1 0.1800 0.04 . 2 . . . A 117 VAL HG12 . 26060 1 1384 . 1 1 117 117 VAL HG13 H 1 0.1800 0.04 . 2 . . . A 117 VAL HG13 . 26060 1 1385 . 1 1 117 117 VAL HG21 H 1 0.6100 0.04 . 2 . . . A 117 VAL HG21 . 26060 1 1386 . 1 1 117 117 VAL HG22 H 1 0.6100 0.04 . 2 . . . A 117 VAL HG22 . 26060 1 1387 . 1 1 117 117 VAL HG23 H 1 0.6100 0.04 . 2 . . . A 117 VAL HG23 . 26060 1 1388 . 1 1 117 117 VAL CA C 13 62.7000 0.4 . 1 . . . A 117 VAL CA . 26060 1 1389 . 1 1 117 117 VAL CB C 13 33.2000 0.4 . 1 . . . A 117 VAL CB . 26060 1 1390 . 1 1 117 117 VAL CG1 C 13 21.7000 0.4 . 1 . . . A 117 VAL CG1 . 26060 1 1391 . 1 1 117 117 VAL CG2 C 13 21.4000 0.4 . 1 . . . A 117 VAL CG2 . 26060 1 1392 . 1 1 117 117 VAL N N 15 127.4800 0.4 . 1 . . . A 117 VAL N . 26060 1 1393 . 1 1 118 118 ASN HA H 1 4.9900 0.04 . 1 . . . A 118 ASN HA . 26060 1 1394 . 1 1 118 118 ASN HB2 H 1 2.6300 0.04 . 2 . . . A 118 ASN HB2 . 26060 1 1395 . 1 1 118 118 ASN HB3 H 1 2.8700 0.04 . 2 . . . A 118 ASN HB3 . 26060 1 1396 . 1 1 118 118 ASN HD21 H 1 7.5680 0.04 . 2 . . . A 118 ASN HD21 . 26060 1 1397 . 1 1 118 118 ASN HD22 H 1 6.7760 0.04 . 2 . . . A 118 ASN HD22 . 26060 1 1398 . 1 1 118 118 ASN C C 13 172.7000 0.4 . 1 . . . A 118 ASN C . 26060 1 1399 . 1 1 118 118 ASN CA C 13 53.3600 0.4 . 1 . . . A 118 ASN CA . 26060 1 1400 . 1 1 118 118 ASN CB C 13 39.2000 0.4 . 1 . . . A 118 ASN CB . 26060 1 1401 . 1 1 118 118 ASN ND2 N 15 111.6400 0.4 . 1 . . . A 118 ASN ND2 . 26060 1 1402 . 1 1 119 119 HIS H H 1 8.7900 0.04 . 1 . . . A 119 HIS H . 26060 1 1403 . 1 1 119 119 HIS HA H 1 4.8200 0.04 . 1 . . . A 119 HIS HA . 26060 1 1404 . 1 1 119 119 HIS HB2 H 1 2.5400 0.04 . 2 . . . A 119 HIS HB2 . 26060 1 1405 . 1 1 119 119 HIS HB3 H 1 3.0400 0.04 . 2 . . . A 119 HIS HB3 . 26060 1 1406 . 1 1 119 119 HIS C C 13 173.5000 0.4 . 1 . . . A 119 HIS C . 26060 1 1407 . 1 1 119 119 HIS CA C 13 56.9700 0.4 . 1 . . . A 119 HIS CA . 26060 1 1408 . 1 1 119 119 HIS CB C 13 34.6700 0.4 . 1 . . . A 119 HIS CB . 26060 1 1409 . 1 1 119 119 HIS N N 15 124.9300 0.4 . 1 . . . A 119 HIS N . 26060 1 1410 . 1 1 120 120 LEU H H 1 7.4600 0.04 . 1 . . . A 120 LEU H . 26060 1 1411 . 1 1 120 120 LEU HA H 1 4.9500 0.04 . 1 . . . A 120 LEU HA . 26060 1 1412 . 1 1 120 120 LEU HB2 H 1 1.3700 0.04 . 2 . . . A 120 LEU HB2 . 26060 1 1413 . 1 1 120 120 LEU HB3 H 1 1.6200 0.04 . 2 . . . A 120 LEU HB3 . 26060 1 1414 . 1 1 120 120 LEU HG H 1 1.4500 0.04 . 1 . . . A 120 LEU HG . 26060 1 1415 . 1 1 120 120 LEU HD11 H 1 0.8400 0.04 . 2 . . . A 120 LEU HD11 . 26060 1 1416 . 1 1 120 120 LEU HD12 H 1 0.8400 0.04 . 2 . . . A 120 LEU HD12 . 26060 1 1417 . 1 1 120 120 LEU HD13 H 1 0.8400 0.04 . 2 . . . A 120 LEU HD13 . 26060 1 1418 . 1 1 120 120 LEU HD21 H 1 0.9500 0.04 . 2 . . . A 120 LEU HD21 . 26060 1 1419 . 1 1 120 120 LEU HD22 H 1 0.9500 0.04 . 2 . . . A 120 LEU HD22 . 26060 1 1420 . 1 1 120 120 LEU HD23 H 1 0.9500 0.04 . 2 . . . A 120 LEU HD23 . 26060 1 1421 . 1 1 120 120 LEU C C 13 174.0300 0.4 . 1 . . . A 120 LEU C . 26060 1 1422 . 1 1 120 120 LEU CA C 13 54.4400 0.4 . 1 . . . A 120 LEU CA . 26060 1 1423 . 1 1 120 120 LEU CB C 13 46.6000 0.4 . 1 . . . A 120 LEU CB . 26060 1 1424 . 1 1 120 120 LEU CG C 13 27.1600 0.4 . 1 . . . A 120 LEU CG . 26060 1 1425 . 1 1 120 120 LEU CD1 C 13 25.4200 0.4 . 1 . . . A 120 LEU CD1 . 26060 1 1426 . 1 1 120 120 LEU CD2 C 13 24.2600 0.4 . 1 . . . A 120 LEU CD2 . 26060 1 1427 . 1 1 120 120 LEU N N 15 128.2800 0.4 . 1 . . . A 120 LEU N . 26060 1 1428 . 1 1 121 121 ARG H H 1 9.8600 0.04 . 1 . . . A 121 ARG H . 26060 1 1429 . 1 1 121 121 ARG HA H 1 4.6400 0.04 . 1 . . . A 121 ARG HA . 26060 1 1430 . 1 1 121 121 ARG HB2 H 1 1.9100 0.04 . 2 . . . A 121 ARG HB2 . 26060 1 1431 . 1 1 121 121 ARG HB3 H 1 2.0900 0.04 . 2 . . . A 121 ARG HB3 . 26060 1 1432 . 1 1 121 121 ARG HG2 H 1 1.5300 0.04 . 2 . . . A 121 ARG HG2 . 26060 1 1433 . 1 1 121 121 ARG HG3 H 1 1.8700 0.04 . 2 . . . A 121 ARG HG3 . 26060 1 1434 . 1 1 121 121 ARG HD2 H 1 2.9900 0.04 . 2 . . . A 121 ARG HD2 . 26060 1 1435 . 1 1 121 121 ARG HD3 H 1 3.5200 0.04 . 2 . . . A 121 ARG HD3 . 26060 1 1436 . 1 1 121 121 ARG C C 13 173.4000 0.4 . 1 . . . A 121 ARG C . 26060 1 1437 . 1 1 121 121 ARG CA C 13 54.3600 0.4 . 1 . . . A 121 ARG CA . 26060 1 1438 . 1 1 121 121 ARG CB C 13 34.2600 0.4 . 1 . . . A 121 ARG CB . 26060 1 1439 . 1 1 121 121 ARG CG C 13 26.3700 0.4 . 1 . . . A 121 ARG CG . 26060 1 1440 . 1 1 121 121 ARG CD C 13 44.9000 0.4 . 1 . . . A 121 ARG CD . 26060 1 1441 . 1 1 121 121 ARG N N 15 128.0600 0.4 . 1 . . . A 121 ARG N . 26060 1 1442 . 1 1 122 122 CYS H H 1 8.8350 0.04 . 1 . . . A 122 CYS H . 26060 1 1443 . 1 1 122 122 CYS HA H 1 5.0200 0.04 . 1 . . . A 122 CYS HA . 26060 1 1444 . 1 1 122 122 CYS HB2 H 1 2.8800 0.04 . 2 . . . A 122 CYS HB2 . 26060 1 1445 . 1 1 122 122 CYS HB3 H 1 2.9500 0.04 . 2 . . . A 122 CYS HB3 . 26060 1 1446 . 1 1 122 122 CYS C C 13 174.6000 0.4 . 1 . . . A 122 CYS C . 26060 1 1447 . 1 1 122 122 CYS CA C 13 58.2900 0.4 . 1 . . . A 122 CYS CA . 26060 1 1448 . 1 1 122 122 CYS CB C 13 28.0300 0.4 . 1 . . . A 122 CYS CB . 26060 1 1449 . 1 1 122 122 CYS N N 15 125.2900 0.4 . 1 . . . A 122 CYS N . 26060 1 1450 . 1 1 123 123 GLU H H 1 8.9700 0.04 . 1 . . . A 123 GLU H . 26060 1 1451 . 1 1 123 123 GLU HA H 1 4.6800 0.04 . 1 . . . A 123 GLU HA . 26060 1 1452 . 1 1 123 123 GLU HB2 H 1 1.2100 0.04 . 2 . . . A 123 GLU HB2 . 26060 1 1453 . 1 1 123 123 GLU HB3 H 1 2.0300 0.04 . 2 . . . A 123 GLU HB3 . 26060 1 1454 . 1 1 123 123 GLU HG2 H 1 1.4700 0.04 . 2 . . . A 123 GLU HG2 . 26060 1 1455 . 1 1 123 123 GLU HG3 H 1 1.7600 0.04 . 2 . . . A 123 GLU HG3 . 26060 1 1456 . 1 1 123 123 GLU C C 13 174.5000 0.4 . 1 . . . A 123 GLU C . 26060 1 1457 . 1 1 123 123 GLU CA C 13 54.4200 0.4 . 1 . . . A 123 GLU CA . 26060 1 1458 . 1 1 123 123 GLU CB C 13 32.5830 0.4 . 1 . . . A 123 GLU CB . 26060 1 1459 . 1 1 123 123 GLU CG C 13 34.6700 0.4 . 1 . . . A 123 GLU CG . 26060 1 1460 . 1 1 123 123 GLU N N 15 125.9200 0.4 . 1 . . . A 123 GLU N . 26060 1 1461 . 1 1 124 124 LYS H H 1 8.6520 0.04 . 1 . . . A 124 LYS H . 26060 1 1462 . 1 1 124 124 LYS HA H 1 4.9600 0.04 . 1 . . . A 124 LYS HA . 26060 1 1463 . 1 1 124 124 LYS HB3 H 1 1.6500 0.04 . 2 . . . A 124 LYS HB3 . 26060 1 1464 . 1 1 124 124 LYS HG2 H 1 1.2100 0.04 . 2 . . . A 124 LYS HG2 . 26060 1 1465 . 1 1 124 124 LYS HG3 H 1 1.3800 0.04 . 2 . . . A 124 LYS HG3 . 26060 1 1466 . 1 1 124 124 LYS HD3 H 1 1.6100 0.04 . 2 . . . A 124 LYS HD3 . 26060 1 1467 . 1 1 124 124 LYS HE3 H 1 2.8800 0.04 . 2 . . . A 124 LYS HE3 . 26060 1 1468 . 1 1 124 124 LYS C C 13 175.7000 0.4 . 1 . . . A 124 LYS C . 26060 1 1469 . 1 1 124 124 LYS CA C 13 55.3570 0.4 . 1 . . . A 124 LYS CA . 26060 1 1470 . 1 1 124 124 LYS CB C 13 34.1890 0.4 . 1 . . . A 124 LYS CB . 26060 1 1471 . 1 1 124 124 LYS CG C 13 25.0800 0.4 . 1 . . . A 124 LYS CG . 26060 1 1472 . 1 1 124 124 LYS CD C 13 29.1500 0.4 . 1 . . . A 124 LYS CD . 26060 1 1473 . 1 1 124 124 LYS CE C 13 41.8000 0.4 . 1 . . . A 124 LYS CE . 26060 1 1474 . 1 1 124 124 LYS N N 15 121.8370 0.4 . 1 . . . A 124 LYS N . 26060 1 1475 . 1 1 125 125 LEU H H 1 9.1750 0.04 . 1 . . . A 125 LEU H . 26060 1 1476 . 1 1 125 125 LEU HA H 1 4.6500 0.04 . 1 . . . A 125 LEU HA . 26060 1 1477 . 1 1 125 125 LEU HB2 H 1 1.1100 0.04 . 2 . . . A 125 LEU HB2 . 26060 1 1478 . 1 1 125 125 LEU HB3 H 1 1.5800 0.04 . 2 . . . A 125 LEU HB3 . 26060 1 1479 . 1 1 125 125 LEU HG H 1 1.6700 0.04 . 1 . . . A 125 LEU HG . 26060 1 1480 . 1 1 125 125 LEU HD11 H 1 1.0700 0.04 . 2 . . . A 125 LEU HD11 . 26060 1 1481 . 1 1 125 125 LEU HD12 H 1 1.0700 0.04 . 2 . . . A 125 LEU HD12 . 26060 1 1482 . 1 1 125 125 LEU HD13 H 1 1.0700 0.04 . 2 . . . A 125 LEU HD13 . 26060 1 1483 . 1 1 125 125 LEU HD21 H 1 1.0500 0.04 . 2 . . . A 125 LEU HD21 . 26060 1 1484 . 1 1 125 125 LEU HD22 H 1 1.0500 0.04 . 2 . . . A 125 LEU HD22 . 26060 1 1485 . 1 1 125 125 LEU HD23 H 1 1.0500 0.04 . 2 . . . A 125 LEU HD23 . 26060 1 1486 . 1 1 125 125 LEU C C 13 175.1100 0.4 . 1 . . . A 125 LEU C . 26060 1 1487 . 1 1 125 125 LEU CA C 13 53.8540 0.4 . 1 . . . A 125 LEU CA . 26060 1 1488 . 1 1 125 125 LEU CB C 13 44.2670 0.4 . 1 . . . A 125 LEU CB . 26060 1 1489 . 1 1 125 125 LEU CG C 13 27.4000 0.4 . 1 . . . A 125 LEU CG . 26060 1 1490 . 1 1 125 125 LEU CD1 C 13 26.3000 0.4 . 1 . . . A 125 LEU CD1 . 26060 1 1491 . 1 1 125 125 LEU CD2 C 13 24.8100 0.4 . 1 . . . A 125 LEU CD2 . 26060 1 1492 . 1 1 125 125 LEU N N 15 127.0000 0.4 . 1 . . . A 125 LEU N . 26060 1 1493 . 1 1 126 126 THR H H 1 8.3310 0.04 . 1 . . . A 126 THR H . 26060 1 1494 . 1 1 126 126 THR HA H 1 4.6500 0.04 . 1 . . . A 126 THR HA . 26060 1 1495 . 1 1 126 126 THR HB H 1 3.7700 0.04 . 1 . . . A 126 THR HB . 26060 1 1496 . 1 1 126 126 THR HG21 H 1 0.9400 0.04 . 1 . . . A 126 THR HG21 . 26060 1 1497 . 1 1 126 126 THR HG22 H 1 0.9400 0.04 . 1 . . . A 126 THR HG22 . 26060 1 1498 . 1 1 126 126 THR HG23 H 1 0.9400 0.04 . 1 . . . A 126 THR HG23 . 26060 1 1499 . 1 1 126 126 THR C C 13 173.2000 0.4 . 1 . . . A 126 THR C . 26060 1 1500 . 1 1 126 126 THR CA C 13 62.0360 0.4 . 1 . . . A 126 THR CA . 26060 1 1501 . 1 1 126 126 THR CB C 13 70.2840 0.4 . 1 . . . A 126 THR CB . 26060 1 1502 . 1 1 126 126 THR CG2 C 13 21.7600 0.4 . 1 . . . A 126 THR CG2 . 26060 1 1503 . 1 1 126 126 THR N N 15 117.7790 0.4 . 1 . . . A 126 THR N . 26060 1 1504 . 1 1 127 127 PHE H H 1 9.0510 0.04 . 1 . . . A 127 PHE H . 26060 1 1505 . 1 1 127 127 PHE HA H 1 4.5900 0.04 . 1 . . . A 127 PHE HA . 26060 1 1506 . 1 1 127 127 PHE HB2 H 1 2.6500 0.04 . 2 . . . A 127 PHE HB2 . 26060 1 1507 . 1 1 127 127 PHE HB3 H 1 2.9500 0.04 . 2 . . . A 127 PHE HB3 . 26060 1 1508 . 1 1 127 127 PHE HD1 H 1 6.9800 0.04 . 3 . . . A 127 PHE HD1 . 26060 1 1509 . 1 1 127 127 PHE HD2 H 1 6.9800 0.04 . 3 . . . A 127 PHE HD2 . 26060 1 1510 . 1 1 127 127 PHE HE1 H 1 6.6400 0.04 . 3 . . . A 127 PHE HE1 . 26060 1 1511 . 1 1 127 127 PHE HE2 H 1 6.6400 0.04 . 3 . . . A 127 PHE HE2 . 26060 1 1512 . 1 1 127 127 PHE HZ H 1 5.8900 0.04 . 1 . . . A 127 PHE HZ . 26060 1 1513 . 1 1 127 127 PHE C C 13 174.8600 0.4 . 1 . . . A 127 PHE C . 26060 1 1514 . 1 1 127 127 PHE CA C 13 56.8640 0.4 . 1 . . . A 127 PHE CA . 26060 1 1515 . 1 1 127 127 PHE CB C 13 39.0000 0.4 . 1 . . . A 127 PHE CB . 26060 1 1516 . 1 1 127 127 PHE CD1 C 13 132.2100 0.4 . 2 . . . A 127 PHE CD1 . 26060 1 1517 . 1 1 127 127 PHE CD2 C 13 132.2100 0.4 . 2 . . . A 127 PHE CD2 . 26060 1 1518 . 1 1 127 127 PHE CE1 C 13 130.6500 0.4 . 2 . . . A 127 PHE CE1 . 26060 1 1519 . 1 1 127 127 PHE CE2 C 13 130.6500 0.4 . 2 . . . A 127 PHE CE2 . 26060 1 1520 . 1 1 127 127 PHE CZ C 13 128.7000 0.4 . 1 . . . A 127 PHE CZ . 26060 1 1521 . 1 1 127 127 PHE N N 15 126.5760 0.4 . 1 . . . A 127 PHE N . 26060 1 1522 . 1 1 128 128 ASN H H 1 8.8800 0.04 . 1 . . . A 128 ASN H . 26060 1 1523 . 1 1 128 128 ASN HA H 1 4.6200 0.04 . 1 . . . A 128 ASN HA . 26060 1 1524 . 1 1 128 128 ASN HB3 H 1 2.6700 0.04 . 2 . . . A 128 ASN HB3 . 26060 1 1525 . 1 1 128 128 ASN HD21 H 1 7.5400 0.04 . 2 . . . A 128 ASN HD21 . 26060 1 1526 . 1 1 128 128 ASN HD22 H 1 6.8400 0.04 . 2 . . . A 128 ASN HD22 . 26060 1 1527 . 1 1 128 128 ASN CA C 13 54.4800 0.4 . 1 . . . A 128 ASN CA . 26060 1 1528 . 1 1 128 128 ASN CB C 13 39.4600 0.4 . 1 . . . A 128 ASN CB . 26060 1 1529 . 1 1 128 128 ASN N N 15 123.0400 0.4 . 1 . . . A 128 ASN N . 26060 1 1530 . 1 1 128 128 ASN ND2 N 15 112.7400 0.4 . 1 . . . A 128 ASN ND2 . 26060 1 1531 . 1 1 129 129 ASN HA H 1 4.7600 0.04 . 1 . . . A 129 ASN HA . 26060 1 1532 . 1 1 129 129 ASN HB2 H 1 2.6500 0.04 . 2 . . . A 129 ASN HB2 . 26060 1 1533 . 1 1 129 129 ASN HB3 H 1 2.8500 0.04 . 2 . . . A 129 ASN HB3 . 26060 1 1534 . 1 1 129 129 ASN HD21 H 1 7.6000 0.04 . 2 . . . A 129 ASN HD21 . 26060 1 1535 . 1 1 129 129 ASN HD22 H 1 6.8000 0.04 . 2 . . . A 129 ASN HD22 . 26060 1 1536 . 1 1 129 129 ASN CA C 13 52.9000 0.4 . 1 . . . A 129 ASN CA . 26060 1 1537 . 1 1 129 129 ASN CB C 13 38.7300 0.4 . 1 . . . A 129 ASN CB . 26060 1 1538 . 1 1 129 129 ASN ND2 N 15 112.3400 0.4 . 1 . . . A 129 ASN ND2 . 26060 1 1539 . 1 1 130 130 PRO HA H 1 4.7900 0.04 . 1 . . . A 130 PRO HA . 26060 1 1540 . 1 1 130 130 PRO HB2 H 1 1.9700 0.04 . 2 . . . A 130 PRO HB2 . 26060 1 1541 . 1 1 130 130 PRO HB3 H 1 2.0500 0.04 . 2 . . . A 130 PRO HB3 . 26060 1 1542 . 1 1 130 130 PRO HG3 H 1 1.6100 0.04 . 2 . . . A 130 PRO HG3 . 26060 1 1543 . 1 1 130 130 PRO HD2 H 1 3.4100 0.04 . 2 . . . A 130 PRO HD2 . 26060 1 1544 . 1 1 130 130 PRO HD3 H 1 3.7000 0.04 . 2 . . . A 130 PRO HD3 . 26060 1 1545 . 1 1 130 130 PRO C C 13 177.4700 0.4 . 1 . . . A 130 PRO C . 26060 1 1546 . 1 1 130 130 PRO CA C 13 62.5740 0.4 . 1 . . . A 130 PRO CA . 26060 1 1547 . 1 1 130 130 PRO CB C 13 32.3100 0.4 . 1 . . . A 130 PRO CB . 26060 1 1548 . 1 1 130 130 PRO CG C 13 27.0600 0.4 . 1 . . . A 130 PRO CG . 26060 1 1549 . 1 1 130 130 PRO CD C 13 50.1500 0.4 . 1 . . . A 130 PRO CD . 26060 1 1550 . 1 1 131 131 THR H H 1 8.9500 0.04 . 1 . . . A 131 THR H . 26060 1 1551 . 1 1 131 131 THR HA H 1 4.3000 0.04 . 1 . . . A 131 THR HA . 26060 1 1552 . 1 1 131 131 THR HB H 1 4.6700 0.04 . 1 . . . A 131 THR HB . 26060 1 1553 . 1 1 131 131 THR HG21 H 1 1.4500 0.04 . 1 . . . A 131 THR HG21 . 26060 1 1554 . 1 1 131 131 THR HG22 H 1 1.4500 0.04 . 1 . . . A 131 THR HG22 . 26060 1 1555 . 1 1 131 131 THR HG23 H 1 1.4500 0.04 . 1 . . . A 131 THR HG23 . 26060 1 1556 . 1 1 131 131 THR C C 13 175.2000 0.4 . 1 . . . A 131 THR C . 26060 1 1557 . 1 1 131 131 THR CA C 13 62.2000 0.4 . 1 . . . A 131 THR CA . 26060 1 1558 . 1 1 131 131 THR CB C 13 70.6000 0.4 . 1 . . . A 131 THR CB . 26060 1 1559 . 1 1 131 131 THR CG2 C 13 22.1900 0.4 . 1 . . . A 131 THR CG2 . 26060 1 1560 . 1 1 131 131 THR N N 15 113.4000 0.4 . 1 . . . A 131 THR N . 26060 1 1561 . 1 1 132 132 GLU H H 1 8.9320 0.04 . 1 . . . A 132 GLU H . 26060 1 1562 . 1 1 132 132 GLU HA H 1 4.0100 0.04 . 1 . . . A 132 GLU HA . 26060 1 1563 . 1 1 132 132 GLU HB2 H 1 2.0100 0.04 . 2 . . . A 132 GLU HB2 . 26060 1 1564 . 1 1 132 132 GLU HB3 H 1 2.1100 0.04 . 2 . . . A 132 GLU HB3 . 26060 1 1565 . 1 1 132 132 GLU HG3 H 1 2.3300 0.04 . 2 . . . A 132 GLU HG3 . 26060 1 1566 . 1 1 132 132 GLU C C 13 178.7000 0.4 . 1 . . . A 132 GLU C . 26060 1 1567 . 1 1 132 132 GLU CA C 13 60.2940 0.4 . 1 . . . A 132 GLU CA . 26060 1 1568 . 1 1 132 132 GLU CB C 13 29.1610 0.4 . 1 . . . A 132 GLU CB . 26060 1 1569 . 1 1 132 132 GLU CG C 13 35.7900 0.4 . 1 . . . A 132 GLU CG . 26060 1 1570 . 1 1 132 132 GLU N N 15 122.1990 0.4 . 1 . . . A 132 GLU N . 26060 1 1571 . 1 1 133 133 ASP H H 1 8.4900 0.04 . 1 . . . A 133 ASP H . 26060 1 1572 . 1 1 133 133 ASP HA H 1 4.3300 0.04 . 1 . . . A 133 ASP HA . 26060 1 1573 . 1 1 133 133 ASP HB2 H 1 2.5700 0.04 . 2 . . . A 133 ASP HB2 . 26060 1 1574 . 1 1 133 133 ASP HB3 H 1 2.7100 0.04 . 2 . . . A 133 ASP HB3 . 26060 1 1575 . 1 1 133 133 ASP C C 13 177.8000 0.4 . 1 . . . A 133 ASP C . 26060 1 1576 . 1 1 133 133 ASP CA C 13 57.5460 0.4 . 1 . . . A 133 ASP CA . 26060 1 1577 . 1 1 133 133 ASP CB C 13 41.8230 0.4 . 1 . . . A 133 ASP CB . 26060 1 1578 . 1 1 133 133 ASP N N 15 116.3240 0.4 . 1 . . . A 133 ASP N . 26060 1 1579 . 1 1 134 134 PHE H H 1 7.7870 0.04 . 1 . . . A 134 PHE H . 26060 1 1580 . 1 1 134 134 PHE HA H 1 4.6100 0.04 . 1 . . . A 134 PHE HA . 26060 1 1581 . 1 1 134 134 PHE HB2 H 1 2.8700 0.04 . 2 . . . A 134 PHE HB2 . 26060 1 1582 . 1 1 134 134 PHE HB3 H 1 3.3100 0.04 . 2 . . . A 134 PHE HB3 . 26060 1 1583 . 1 1 134 134 PHE HD1 H 1 7.0800 0.04 . 3 . . . A 134 PHE HD1 . 26060 1 1584 . 1 1 134 134 PHE HD2 H 1 7.0800 0.04 . 3 . . . A 134 PHE HD2 . 26060 1 1585 . 1 1 134 134 PHE HE1 H 1 6.5200 0.04 . 3 . . . A 134 PHE HE1 . 26060 1 1586 . 1 1 134 134 PHE HE2 H 1 6.5200 0.04 . 3 . . . A 134 PHE HE2 . 26060 1 1587 . 1 1 134 134 PHE HZ H 1 6.1700 0.04 . 1 . . . A 134 PHE HZ . 26060 1 1588 . 1 1 134 134 PHE C C 13 177.3000 0.4 . 1 . . . A 134 PHE C . 26060 1 1589 . 1 1 134 134 PHE CA C 13 59.5380 0.4 . 1 . . . A 134 PHE CA . 26060 1 1590 . 1 1 134 134 PHE CB C 13 39.2000 0.4 . 1 . . . A 134 PHE CB . 26060 1 1591 . 1 1 134 134 PHE CD1 C 13 131.8000 0.4 . 2 . . . A 134 PHE CD1 . 26060 1 1592 . 1 1 134 134 PHE CD2 C 13 131.8000 0.4 . 2 . . . A 134 PHE CD2 . 26060 1 1593 . 1 1 134 134 PHE CE1 C 13 130.7500 0.4 . 2 . . . A 134 PHE CE1 . 26060 1 1594 . 1 1 134 134 PHE CE2 C 13 130.7500 0.4 . 2 . . . A 134 PHE CE2 . 26060 1 1595 . 1 1 134 134 PHE CZ C 13 128.9000 0.4 . 1 . . . A 134 PHE CZ . 26060 1 1596 . 1 1 134 134 PHE N N 15 119.9140 0.4 . 1 . . . A 134 PHE N . 26060 1 1597 . 1 1 135 135 ARG H H 1 9.0870 0.04 . 1 . . . A 135 ARG H . 26060 1 1598 . 1 1 135 135 ARG HA H 1 3.3500 0.04 . 1 . . . A 135 ARG HA . 26060 1 1599 . 1 1 135 135 ARG HB2 H 1 1.6700 0.04 . 2 . . . A 135 ARG HB2 . 26060 1 1600 . 1 1 135 135 ARG HB3 H 1 1.8600 0.04 . 2 . . . A 135 ARG HB3 . 26060 1 1601 . 1 1 135 135 ARG HG2 H 1 1.3300 0.04 . 2 . . . A 135 ARG HG2 . 26060 1 1602 . 1 1 135 135 ARG HG3 H 1 1.4500 0.04 . 2 . . . A 135 ARG HG3 . 26060 1 1603 . 1 1 135 135 ARG HD2 H 1 3.1500 0.04 . 2 . . . A 135 ARG HD2 . 26060 1 1604 . 1 1 135 135 ARG HD3 H 1 3.2600 0.04 . 2 . . . A 135 ARG HD3 . 26060 1 1605 . 1 1 135 135 ARG C C 13 177.3700 0.4 . 1 . . . A 135 ARG C . 26060 1 1606 . 1 1 135 135 ARG CA C 13 60.3760 0.4 . 1 . . . A 135 ARG CA . 26060 1 1607 . 1 1 135 135 ARG CB C 13 30.3960 0.4 . 1 . . . A 135 ARG CB . 26060 1 1608 . 1 1 135 135 ARG CG C 13 28.1000 0.4 . 1 . . . A 135 ARG CG . 26060 1 1609 . 1 1 135 135 ARG CD C 13 43.0000 0.4 . 1 . . . A 135 ARG CD . 26060 1 1610 . 1 1 135 135 ARG N N 15 119.7940 0.4 . 1 . . . A 135 ARG N . 26060 1 1611 . 1 1 136 136 ARG H H 1 7.7470 0.04 . 1 . . . A 136 ARG H . 26060 1 1612 . 1 1 136 136 ARG HA H 1 3.8200 0.04 . 1 . . . A 136 ARG HA . 26060 1 1613 . 1 1 136 136 ARG HB2 H 1 1.8700 0.04 . 2 . . . A 136 ARG HB2 . 26060 1 1614 . 1 1 136 136 ARG HB3 H 1 1.9400 0.04 . 2 . . . A 136 ARG HB3 . 26060 1 1615 . 1 1 136 136 ARG HG2 H 1 1.6300 0.04 . 2 . . . A 136 ARG HG2 . 26060 1 1616 . 1 1 136 136 ARG HG3 H 1 1.8800 0.04 . 2 . . . A 136 ARG HG3 . 26060 1 1617 . 1 1 136 136 ARG HD3 H 1 3.2200 0.04 . 2 . . . A 136 ARG HD3 . 26060 1 1618 . 1 1 136 136 ARG C C 13 178.9500 0.4 . 1 . . . A 136 ARG C . 26060 1 1619 . 1 1 136 136 ARG CA C 13 59.8000 0.4 . 1 . . . A 136 ARG CA . 26060 1 1620 . 1 1 136 136 ARG CB C 13 30.2170 0.4 . 1 . . . A 136 ARG CB . 26060 1 1621 . 1 1 136 136 ARG CG C 13 28.2000 0.4 . 1 . . . A 136 ARG CG . 26060 1 1622 . 1 1 136 136 ARG CD C 13 43.3800 0.4 . 1 . . . A 136 ARG CD . 26060 1 1623 . 1 1 136 136 ARG N N 15 114.5540 0.4 . 1 . . . A 136 ARG N . 26060 1 1624 . 1 1 137 137 LYS H H 1 7.1540 0.04 . 1 . . . A 137 LYS H . 26060 1 1625 . 1 1 137 137 LYS HA H 1 3.9000 0.04 . 1 . . . A 137 LYS HA . 26060 1 1626 . 1 1 137 137 LYS HB2 H 1 1.9500 0.04 . 2 . . . A 137 LYS HB2 . 26060 1 1627 . 1 1 137 137 LYS HB3 H 1 2.1200 0.04 . 2 . . . A 137 LYS HB3 . 26060 1 1628 . 1 1 137 137 LYS HG2 H 1 1.5400 0.04 . 2 . . . A 137 LYS HG2 . 26060 1 1629 . 1 1 137 137 LYS HG3 H 1 1.9400 0.04 . 2 . . . A 137 LYS HG3 . 26060 1 1630 . 1 1 137 137 LYS HD3 H 1 1.9500 0.04 . 2 . . . A 137 LYS HD3 . 26060 1 1631 . 1 1 137 137 LYS HE3 H 1 3.2200 0.04 . 2 . . . A 137 LYS HE3 . 26060 1 1632 . 1 1 137 137 LYS C C 13 177.9800 0.4 . 1 . . . A 137 LYS C . 26060 1 1633 . 1 1 137 137 LYS CA C 13 60.3950 0.4 . 1 . . . A 137 LYS CA . 26060 1 1634 . 1 1 137 137 LYS CB C 13 32.4470 0.4 . 1 . . . A 137 LYS CB . 26060 1 1635 . 1 1 137 137 LYS CG C 13 26.3700 0.4 . 1 . . . A 137 LYS CG . 26060 1 1636 . 1 1 137 137 LYS CD C 13 30.2700 0.4 . 1 . . . A 137 LYS CD . 26060 1 1637 . 1 1 137 137 LYS CE C 13 42.4300 0.4 . 1 . . . A 137 LYS CE . 26060 1 1638 . 1 1 137 137 LYS N N 15 118.2980 0.4 . 1 . . . A 137 LYS N . 26060 1 1639 . 1 1 138 138 LEU H H 1 7.7090 0.04 . 1 . . . A 138 LEU H . 26060 1 1640 . 1 1 138 138 LEU HA H 1 3.4200 0.04 . 1 . . . A 138 LEU HA . 26060 1 1641 . 1 1 138 138 LEU HB2 H 1 0.6800 0.04 . 2 . . . A 138 LEU HB2 . 26060 1 1642 . 1 1 138 138 LEU HB3 H 1 1.4800 0.04 . 2 . . . A 138 LEU HB3 . 26060 1 1643 . 1 1 138 138 LEU HG H 1 0.3140 0.04 . 1 . . . A 138 LEU HG . 26060 1 1644 . 1 1 138 138 LEU HD11 H 1 -0.3400 0.04 . 2 . . . A 138 LEU HD11 . 26060 1 1645 . 1 1 138 138 LEU HD12 H 1 -0.3400 0.04 . 2 . . . A 138 LEU HD12 . 26060 1 1646 . 1 1 138 138 LEU HD13 H 1 -0.3400 0.04 . 2 . . . A 138 LEU HD13 . 26060 1 1647 . 1 1 138 138 LEU HD21 H 1 -0.6500 0.04 . 2 . . . A 138 LEU HD21 . 26060 1 1648 . 1 1 138 138 LEU HD22 H 1 -0.6500 0.04 . 2 . . . A 138 LEU HD22 . 26060 1 1649 . 1 1 138 138 LEU HD23 H 1 -0.6500 0.04 . 2 . . . A 138 LEU HD23 . 26060 1 1650 . 1 1 138 138 LEU C C 13 179.1000 0.4 . 1 . . . A 138 LEU C . 26060 1 1651 . 1 1 138 138 LEU CA C 13 57.2310 0.4 . 1 . . . A 138 LEU CA . 26060 1 1652 . 1 1 138 138 LEU CB C 13 42.3280 0.4 . 1 . . . A 138 LEU CB . 26060 1 1653 . 1 1 138 138 LEU CG C 13 26.0400 0.4 . 1 . . . A 138 LEU CG . 26060 1 1654 . 1 1 138 138 LEU CD1 C 13 25.0700 0.4 . 1 . . . A 138 LEU CD1 . 26060 1 1655 . 1 1 138 138 LEU CD2 C 13 22.1900 0.4 . 1 . . . A 138 LEU CD2 . 26060 1 1656 . 1 1 138 138 LEU N N 15 117.1590 0.4 . 1 . . . A 138 LEU N . 26060 1 1657 . 1 1 139 139 LEU H H 1 7.5070 0.04 . 1 . . . A 139 LEU H . 26060 1 1658 . 1 1 139 139 LEU HA H 1 4.1500 0.04 . 1 . . . A 139 LEU HA . 26060 1 1659 . 1 1 139 139 LEU HB2 H 1 1.5900 0.04 . 2 . . . A 139 LEU HB2 . 26060 1 1660 . 1 1 139 139 LEU HB3 H 1 1.6500 0.04 . 2 . . . A 139 LEU HB3 . 26060 1 1661 . 1 1 139 139 LEU HG H 1 1.6900 0.04 . 1 . . . A 139 LEU HG . 26060 1 1662 . 1 1 139 139 LEU HD11 H 1 0.7800 0.04 . 2 . . . A 139 LEU HD11 . 26060 1 1663 . 1 1 139 139 LEU HD12 H 1 0.7800 0.04 . 2 . . . A 139 LEU HD12 . 26060 1 1664 . 1 1 139 139 LEU HD13 H 1 0.7800 0.04 . 2 . . . A 139 LEU HD13 . 26060 1 1665 . 1 1 139 139 LEU HD21 H 1 0.7800 0.04 . 2 . . . A 139 LEU HD21 . 26060 1 1666 . 1 1 139 139 LEU HD22 H 1 0.7800 0.04 . 2 . . . A 139 LEU HD22 . 26060 1 1667 . 1 1 139 139 LEU HD23 H 1 0.7800 0.04 . 2 . . . A 139 LEU HD23 . 26060 1 1668 . 1 1 139 139 LEU C C 13 177.6000 0.4 . 1 . . . A 139 LEU C . 26060 1 1669 . 1 1 139 139 LEU CA C 13 55.5290 0.4 . 1 . . . A 139 LEU CA . 26060 1 1670 . 1 1 139 139 LEU CB C 13 41.7440 0.4 . 1 . . . A 139 LEU CB . 26060 1 1671 . 1 1 139 139 LEU CG C 13 26.9000 0.4 . 1 . . . A 139 LEU CG . 26060 1 1672 . 1 1 139 139 LEU CD1 C 13 25.3000 0.4 . 1 . . . A 139 LEU CD1 . 26060 1 1673 . 1 1 139 139 LEU CD2 C 13 22.4800 0.4 . 1 . . . A 139 LEU CD2 . 26060 1 1674 . 1 1 139 139 LEU N N 15 115.1580 0.4 . 1 . . . A 139 LEU N . 26060 1 1675 . 1 1 140 140 LYS H H 1 7.3040 0.04 . 1 . . . A 140 LYS H . 26060 1 1676 . 1 1 140 140 LYS HA H 1 4.1100 0.04 . 1 . . . A 140 LYS HA . 26060 1 1677 . 1 1 140 140 LYS HB2 H 1 1.4040 0.04 . 2 . . . A 140 LYS HB2 . 26060 1 1678 . 1 1 140 140 LYS HB3 H 1 1.6990 0.04 . 2 . . . A 140 LYS HB3 . 26060 1 1679 . 1 1 140 140 LYS HG2 H 1 1.2100 0.04 . 2 . . . A 140 LYS HG2 . 26060 1 1680 . 1 1 140 140 LYS HG3 H 1 1.4230 0.04 . 2 . . . A 140 LYS HG3 . 26060 1 1681 . 1 1 140 140 LYS HD2 H 1 1.3490 0.04 . 2 . . . A 140 LYS HD2 . 26060 1 1682 . 1 1 140 140 LYS HD3 H 1 1.4770 0.04 . 2 . . . A 140 LYS HD3 . 26060 1 1683 . 1 1 140 140 LYS HE3 H 1 2.7600 0.04 . 2 . . . A 140 LYS HE3 . 26060 1 1684 . 1 1 140 140 LYS C C 13 175.8000 0.4 . 1 . . . A 140 LYS C . 26060 1 1685 . 1 1 140 140 LYS CA C 13 57.0520 0.4 . 1 . . . A 140 LYS CA . 26060 1 1686 . 1 1 140 140 LYS CB C 13 32.6460 0.4 . 1 . . . A 140 LYS CB . 26060 1 1687 . 1 1 140 140 LYS CG C 13 25.0400 0.4 . 1 . . . A 140 LYS CG . 26060 1 1688 . 1 1 140 140 LYS CD C 13 29.1200 0.4 . 1 . . . A 140 LYS CD . 26060 1 1689 . 1 1 140 140 LYS CE C 13 41.8000 0.4 . 1 . . . A 140 LYS CE . 26060 1 1690 . 1 1 140 140 LYS N N 15 120.2560 0.4 . 1 . . . A 140 LYS N . 26060 1 1691 . 1 1 141 141 ALA H H 1 7.3470 0.04 . 1 . . . A 141 ALA H . 26060 1 1692 . 1 1 141 141 ALA HA H 1 4.2700 0.04 . 1 . . . A 141 ALA HA . 26060 1 1693 . 1 1 141 141 ALA HB1 H 1 1.5500 0.04 . 1 . . . A 141 ALA HB1 . 26060 1 1694 . 1 1 141 141 ALA HB2 H 1 1.5500 0.04 . 1 . . . A 141 ALA HB2 . 26060 1 1695 . 1 1 141 141 ALA HB3 H 1 1.5500 0.04 . 1 . . . A 141 ALA HB3 . 26060 1 1696 . 1 1 141 141 ALA CA C 13 54.7010 0.4 . 1 . . . A 141 ALA CA . 26060 1 1697 . 1 1 141 141 ALA CB C 13 20.2400 0.4 . 1 . . . A 141 ALA CB . 26060 1 1698 . 1 1 141 141 ALA N N 15 128.1440 0.4 . 1 . . . A 141 ALA N . 26060 1 1699 . 2 2 1 1 GLY HA3 H 1 4.0100 0.04 . 2 . . . . 212 GLY HA3 . 26060 1 1700 . 2 2 1 1 GLY CA C 13 44.6000 0.4 . 1 . . . . 212 GLY CA . 26060 1 1701 . 2 2 2 2 GLY HA3 H 1 3.8200 0.04 . 2 . . . . 213 GLY HA3 . 26060 1 1702 . 2 2 2 2 GLY CA C 13 43.4000 0.4 . 1 . . . . 213 GLY CA . 26060 1 1703 . 2 2 3 3 LYS H H 1 8.4100 0.04 . 1 . . . . 214 LYS HN . 26060 1 1704 . 2 2 3 3 LYS HA H 1 4.3300 0.04 . 1 . . . . 214 LYS HA . 26060 1 1705 . 2 2 3 3 LYS HB3 H 1 1.8600 0.04 . 2 . . . . 214 LYS HB3 . 26060 1 1706 . 2 2 3 3 LYS HG3 H 1 1.4400 0.04 . 2 . . . . 214 LYS HG3 . 26060 1 1707 . 2 2 3 3 LYS HD3 H 1 1.6600 0.04 . 2 . . . . 214 LYS HD3 . 26060 1 1708 . 2 2 3 3 LYS HE3 H 1 2.9900 0.04 . 2 . . . . 214 LYS HE3 . 26060 1 1709 . 2 2 3 3 LYS CB C 13 32.8900 0.4 . 1 . . . . 214 LYS CB . 26060 1 1710 . 2 2 3 3 LYS CG C 13 24.3200 0.4 . 1 . . . . 214 LYS CG . 26060 1 1711 . 2 2 3 3 LYS CD C 13 28.8000 0.4 . 1 . . . . 214 LYS CD . 26060 1 1712 . 2 2 3 3 LYS CE C 13 41.8000 0.4 . 1 . . . . 214 LYS CE . 26060 1 1713 . 2 2 4 4 ALA H H 1 8.5100 0.04 . 1 . . . . 215 ALA HN . 26060 1 1714 . 2 2 4 4 ALA HA H 1 4.5900 0.04 . 1 . . . . 215 ALA HA . 26060 1 1715 . 2 2 4 4 ALA HB1 H 1 1.3600 0.04 . 1 . . . . 215 ALA HB3 . 26060 1 1716 . 2 2 4 4 ALA HB2 H 1 1.3600 0.04 . 1 . . . . 215 ALA HB3 . 26060 1 1717 . 2 2 4 4 ALA HB3 H 1 1.3600 0.04 . 1 . . . . 215 ALA HB3 . 26060 1 1718 . 2 2 4 4 ALA CA C 13 50.3100 0.4 . 1 . . . . 215 ALA CA . 26060 1 1719 . 2 2 4 4 ALA CB C 13 17.7100 0.4 . 1 . . . . 215 ALA CB . 26060 1 1720 . 2 2 5 5 PRO HA H 1 4.4100 0.04 . 1 . . . . 216 PRO HA . 26060 1 1721 . 2 2 5 5 PRO HB2 H 1 1.8800 0.04 . 2 . . . . 216 PRO HB2 . 26060 1 1722 . 2 2 5 5 PRO HB3 H 1 2.2900 0.04 . 2 . . . . 216 PRO HB3 . 26060 1 1723 . 2 2 5 5 PRO HG3 H 1 2.0160 0.04 . 2 . . . . 216 PRO HG3 . 26060 1 1724 . 2 2 5 5 PRO HD2 H 1 3.6500 0.04 . 2 . . . . 216 PRO HD2 . 26060 1 1725 . 2 2 5 5 PRO HD3 H 1 3.8300 0.04 . 2 . . . . 216 PRO HD3 . 26060 1 1726 . 2 2 5 5 PRO CA C 13 62.6100 0.4 . 1 . . . . 216 PRO CA . 26060 1 1727 . 2 2 5 5 PRO CB C 13 31.8600 0.4 . 1 . . . . 216 PRO CB . 26060 1 1728 . 2 2 5 5 PRO CG C 13 27.1300 0.4 . 1 . . . . 216 PRO CG . 26060 1 1729 . 2 2 5 5 PRO CD C 13 50.2700 0.4 . 1 . . . . 216 PRO CD . 26060 1 1730 . 2 2 6 6 ARG H H 1 8.5100 0.04 . 1 . . . . 217 ARG HN . 26060 1 1731 . 2 2 6 6 ARG HA H 1 4.2800 0.04 . 1 . . . . 217 ARG HA . 26060 1 1732 . 2 2 6 6 ARG HB3 H 1 1.8100 0.04 . 2 . . . . 217 ARG HB3 . 26060 1 1733 . 2 2 6 6 ARG HG3 H 1 1.6400 0.04 . 2 . . . . 217 ARG HG3 . 26060 1 1734 . 2 2 6 6 ARG HD3 H 1 3.2000 0.04 . 2 . . . . 217 ARG HD3 . 26060 1 1735 . 2 2 6 6 ARG CB C 13 30.4800 0.4 . 1 . . . . 217 ARG CB . 26060 1 1736 . 2 2 6 6 ARG CD C 13 43.0600 0.4 . 1 . . . . 217 ARG CD . 26060 1 1737 . 2 2 7 7 KCR CB C 13 32.9200 0.4 . 1 . . . . 218 KCR CB . 26060 1 1738 . 2 2 7 7 KCR CD C 13 30.2400 0.4 . 1 . . . . 218 KCR CD . 26060 1 1739 . 2 2 7 7 KCR CE C 13 41.5000 0.4 . 1 . . . . 218 KCR CE . 26060 1 1740 . 2 2 7 7 KCR CG C 13 24.8300 0.4 . 1 . . . . 218 KCR CG . 26060 1 1741 . 2 2 7 7 KCR HA H 1 4.2400 0.04 . 1 . . . . 218 KCR HA . 26060 1 1742 . 2 2 7 7 KCR HB3 H 1 1.7550 0.04 . 2 . . . . 218 KCR HB3 . 26060 1 1743 . 2 2 7 7 KCR HD1 H 1 1.5300 0.04 . 2 . . . . 218 KCR HD1 . 26060 1 1744 . 2 2 7 7 KCR HE1 H 1 3.2200 0.04 . 2 . . . . 218 KCR HE1 . 26060 1 1745 . 2 2 7 7 KCR HG3 H 1 1.3500 0.04 . 2 . . . . 218 KCR HG3 . 26060 1 1746 . 2 2 7 7 KCR HN H 1 8.4100 0.04 . 1 . . . . 218 KCR HN . 26060 1 1747 . 2 2 7 7 KCR HZ1 H 1 8.0100 0.04 . 1 . . . . 218 KCR HZ1 . 26060 1 1748 . 2 2 8 8 GLN H H 1 8.5200 0.04 . 1 . . . . 219 GLN HN . 26060 1 1749 . 2 2 8 8 GLN HA H 1 4.3100 0.04 . 1 . . . . 219 GLN HA . 26060 1 1750 . 2 2 8 8 GLN HB2 H 1 1.9600 0.04 . 2 . . . . 219 GLN HB2 . 26060 1 1751 . 2 2 8 8 GLN HB3 H 1 2.0600 0.04 . 2 . . . . 219 GLN HB3 . 26060 1 1752 . 2 2 8 8 GLN HG3 H 1 2.3500 0.04 . 2 . . . . 219 GLN HG3 . 26060 1 1753 . 2 2 8 8 GLN CB C 13 29.2200 0.4 . 1 . . . . 219 GLN CB . 26060 1 1754 . 2 2 8 8 GLN CG C 13 33.4800 0.4 . 1 . . . . 219 GLN CG . 26060 1 1755 . 2 2 9 9 LEU H H 1 8.3800 0.04 . 1 . . . . 220 LEU HN . 26060 1 1756 . 2 2 9 9 LEU HA H 1 4.3300 0.04 . 1 . . . . 220 LEU HA . 26060 1 1757 . 2 2 9 9 LEU HB2 H 1 1.5700 0.04 . 2 . . . . 220 LEU HB2 . 26060 1 1758 . 2 2 9 9 LEU HB3 H 1 1.6200 0.04 . 2 . . . . 220 LEU HB3 . 26060 1 1759 . 2 2 9 9 LEU HG H 1 1.6200 0.04 . 1 . . . . 220 LEU HG . 26060 1 1760 . 2 2 9 9 LEU HD11 H 1 0.9200 0.04 . 2 . . . . 220 LEU HD11 . 26060 1 1761 . 2 2 9 9 LEU HD12 H 1 0.9200 0.04 . 2 . . . . 220 LEU HD11 . 26060 1 1762 . 2 2 9 9 LEU HD13 H 1 0.9200 0.04 . 2 . . . . 220 LEU HD11 . 26060 1 1763 . 2 2 9 9 LEU HD21 H 1 0.8600 0.04 . 2 . . . . 220 LEU HD21 . 26060 1 1764 . 2 2 9 9 LEU HD22 H 1 0.8600 0.04 . 2 . . . . 220 LEU HD21 . 26060 1 1765 . 2 2 9 9 LEU HD23 H 1 0.8600 0.04 . 2 . . . . 220 LEU HD21 . 26060 1 1766 . 2 2 9 9 LEU CB C 13 42.2600 0.4 . 1 . . . . 220 LEU CB . 26060 1 1767 . 2 2 9 9 LEU CG C 13 26.7700 0.4 . 1 . . . . 220 LEU CG . 26060 1 1768 . 2 2 9 9 LEU CD1 C 13 24.6400 0.4 . 1 . . . . 220 LEU CD1 . 26060 1 1769 . 2 2 9 9 LEU CD2 C 13 23.0900 0.4 . 1 . . . . 220 LEU CD2 . 26060 1 1770 . 2 2 10 10 ALA H H 1 8.4400 0.04 . 1 . . . . 221 ALA HN . 26060 1 1771 . 2 2 10 10 ALA HA H 1 4.3700 0.04 . 1 . . . . 221 ALA HA . 26060 1 1772 . 2 2 10 10 ALA HB1 H 1 1.4000 0.04 . 1 . . . . 221 ALA HB3 . 26060 1 1773 . 2 2 10 10 ALA HB2 H 1 1.4000 0.04 . 1 . . . . 221 ALA HB3 . 26060 1 1774 . 2 2 10 10 ALA HB3 H 1 1.4000 0.04 . 1 . . . . 221 ALA HB3 . 26060 1 1775 . 2 2 10 10 ALA CA C 13 52.1500 0.4 . 1 . . . . 221 ALA CA . 26060 1 1776 . 2 2 10 10 ALA CB C 13 18.9500 0.4 . 1 . . . . 221 ALA CB . 26060 1 1777 . 2 2 11 11 THR H H 1 8.2100 0.04 . 1 . . . . 222 THR HN . 26060 1 1778 . 2 2 11 11 THR HA H 1 4.2700 0.04 . 1 . . . . 222 THR HA . 26060 1 1779 . 2 2 11 11 THR HB H 1 4.1700 0.04 . 1 . . . . 222 THR HB . 26060 1 1780 . 2 2 11 11 THR HG21 H 1 1.2000 0.04 . 1 . . . . 222 THR HG21 . 26060 1 1781 . 2 2 11 11 THR HG22 H 1 1.2000 0.04 . 1 . . . . 222 THR HG21 . 26060 1 1782 . 2 2 11 11 THR HG23 H 1 1.2000 0.04 . 1 . . . . 222 THR HG21 . 26060 1 1783 . 2 2 11 11 THR CA C 13 61.5000 0.4 . 1 . . . . 222 THR CA . 26060 1 1784 . 2 2 11 11 THR CB C 13 69.6600 0.4 . 1 . . . . 222 THR CB . 26060 1 1785 . 2 2 11 11 THR CG2 C 13 21.3700 0.4 . 1 . . . . 222 THR CG2 . 26060 1 1786 . 2 2 12 12 LYS HG3 H 1 1.3900 0.04 . 2 . . . . 223 LYS HG3 . 26060 1 1787 . 2 2 12 12 LYS HE3 H 1 2.9900 0.04 . 2 . . . . 223 LYS HE3 . 26060 1 1788 . 2 2 12 12 LYS CE C 13 41.8000 0.4 . 1 . . . . 223 LYS CE . 26060 1 1789 . 2 2 13 13 ALA H H 1 8.1500 0.04 . 1 . . . . 224 ALA HN . 26060 1 1790 . 2 2 13 13 ALA HA H 1 4.1000 0.04 . 1 . . . . 224 ALA HA . 26060 1 1791 . 2 2 13 13 ALA HB1 H 1 1.3200 0.04 . 1 . . . . 224 ALA HB3 . 26060 1 1792 . 2 2 13 13 ALA HB2 H 1 1.3200 0.04 . 1 . . . . 224 ALA HB3 . 26060 1 1793 . 2 2 13 13 ALA HB3 H 1 1.3200 0.04 . 1 . . . . 224 ALA HB3 . 26060 1 1794 . 2 2 13 13 ALA CA C 13 53.5600 0.4 . 1 . . . . 224 ALA CA . 26060 1 1795 . 2 2 13 13 ALA CB C 13 19.6900 0.4 . 1 . . . . 224 ALA CB . 26060 1 stop_ save_