data_11594 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11594 _Entry.Title ; Solution structure of the complex between XPC acidic domain and TFIIH p62 PH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-01 _Entry.Accession_date 2015-07-14 _Entry.Last_release_date 2016-02-15 _Entry.Original_release_date 2016-02-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Masahiko Okuda . . . . 11594 2 Yoshifumi Nishimura . . . . 11594 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' . 11594 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN COMPLEX' . 11594 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 11594 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 680 11594 '15N chemical shifts' 165 11594 '1H chemical shifts' 1036 11594 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-02-15 . original BMRB . 11594 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RVB 'BMRB Entry Tracking System' 11594 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11594 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26278177 _Citation.Full_citation . _Citation.Title ; Structural Insight into the Mechanism of TFIIH Recognition by the Acidic String of the Nucleotide Excision Repair Factor XPC ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 10 _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 1827 _Citation.Page_last 1837 _Citation.Year 2015 _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 Masahiko Okuda . . . . 11594 1 2 Minoru Kinoshita . . . . 11594 1 3 Erina Kakumu . . . . 11594 1 4 Kaoru Sugasawa . . . . 11594 1 5 Yoshifumi Nishimura . . . . 11594 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11594 _Assembly.ID 1 _Assembly.Name 'The Acidic String of the Nucleotide Excision Repair Factor XPC' _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 'XPC acidic domain' 1 $XPC_acidic_domain A . yes native no no . . . 11594 1 2 'TFIIH p62 PH domain' 2 $TFIIH_p62_PH_domain B . yes native no no . . . 11594 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XPC_acidic_domain _Entity.Sf_category entity _Entity.Sf_framecode XPC_acidic_domain _Entity.Entry_ID 11594 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XPC_acidic_domain _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 ; GSHMAHHLKRGATMNEDSNE EEEESENDWEEVEELSEPVL GDVRESTAFSRS ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5511.741 _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 . 11594 1 2 2 SER . 11594 1 3 3 HIS . 11594 1 4 4 MET . 11594 1 5 5 ALA . 11594 1 6 6 HIS . 11594 1 7 7 HIS . 11594 1 8 8 LEU . 11594 1 9 9 LYS . 11594 1 10 10 ARG . 11594 1 11 11 GLY . 11594 1 12 12 ALA . 11594 1 13 13 THR . 11594 1 14 14 MET . 11594 1 15 15 ASN . 11594 1 16 16 GLU . 11594 1 17 17 ASP . 11594 1 18 18 SER . 11594 1 19 19 ASN . 11594 1 20 20 GLU . 11594 1 21 21 GLU . 11594 1 22 22 GLU . 11594 1 23 23 GLU . 11594 1 24 24 GLU . 11594 1 25 25 SER . 11594 1 26 26 GLU . 11594 1 27 27 ASN . 11594 1 28 28 ASP . 11594 1 29 29 TRP . 11594 1 30 30 GLU . 11594 1 31 31 GLU . 11594 1 32 32 VAL . 11594 1 33 33 GLU . 11594 1 34 34 GLU . 11594 1 35 35 LEU . 11594 1 36 36 SER . 11594 1 37 37 GLU . 11594 1 38 38 PRO . 11594 1 39 39 VAL . 11594 1 40 40 LEU . 11594 1 41 41 GLY . 11594 1 42 42 ASP . 11594 1 43 43 VAL . 11594 1 44 44 ARG . 11594 1 45 45 GLU . 11594 1 46 46 SER . 11594 1 47 47 THR . 11594 1 48 48 ALA . 11594 1 49 49 PHE . 11594 1 50 50 SER . 11594 1 51 51 ARG . 11594 1 52 52 SER . 11594 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 11594 1 . SER 2 2 11594 1 . HIS 3 3 11594 1 . MET 4 4 11594 1 . ALA 5 5 11594 1 . HIS 6 6 11594 1 . HIS 7 7 11594 1 . LEU 8 8 11594 1 . LYS 9 9 11594 1 . ARG 10 10 11594 1 . GLY 11 11 11594 1 . ALA 12 12 11594 1 . THR 13 13 11594 1 . MET 14 14 11594 1 . ASN 15 15 11594 1 . GLU 16 16 11594 1 . ASP 17 17 11594 1 . SER 18 18 11594 1 . ASN 19 19 11594 1 . GLU 20 20 11594 1 . GLU 21 21 11594 1 . GLU 22 22 11594 1 . GLU 23 23 11594 1 . GLU 24 24 11594 1 . SER 25 25 11594 1 . GLU 26 26 11594 1 . ASN 27 27 11594 1 . ASP 28 28 11594 1 . TRP 29 29 11594 1 . GLU 30 30 11594 1 . GLU 31 31 11594 1 . VAL 32 32 11594 1 . GLU 33 33 11594 1 . GLU 34 34 11594 1 . LEU 35 35 11594 1 . SER 36 36 11594 1 . GLU 37 37 11594 1 . PRO 38 38 11594 1 . VAL 39 39 11594 1 . LEU 40 40 11594 1 . GLY 41 41 11594 1 . ASP 42 42 11594 1 . VAL 43 43 11594 1 . ARG 44 44 11594 1 . GLU 45 45 11594 1 . SER 46 46 11594 1 . THR 47 47 11594 1 . ALA 48 48 11594 1 . PHE 49 49 11594 1 . SER 50 50 11594 1 . ARG 51 51 11594 1 . SER 52 52 11594 1 stop_ save_ save_TFIIH_p62_PH_domain _Entity.Sf_category entity _Entity.Sf_framecode TFIIH_p62_PH_domain _Entity.Entry_ID 11594 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TFIIH_p62_PH_domain _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 ; GSMATSSEEVLLIVKKVRQK KQDGALYLMAERIAWAPEGK DRFTISHMYADIKCQKISPE GKAKIQLQLVLHAGDTTNFH FSNESTAVKERDAVKDLLQQ LLPKFKRKAN ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12306.429 _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 . 11594 2 2 2 SER . 11594 2 3 3 MET . 11594 2 4 4 ALA . 11594 2 5 5 THR . 11594 2 6 6 SER . 11594 2 7 7 SER . 11594 2 8 8 GLU . 11594 2 9 9 GLU . 11594 2 10 10 VAL . 11594 2 11 11 LEU . 11594 2 12 12 LEU . 11594 2 13 13 ILE . 11594 2 14 14 VAL . 11594 2 15 15 LYS . 11594 2 16 16 LYS . 11594 2 17 17 VAL . 11594 2 18 18 ARG . 11594 2 19 19 GLN . 11594 2 20 20 LYS . 11594 2 21 21 LYS . 11594 2 22 22 GLN . 11594 2 23 23 ASP . 11594 2 24 24 GLY . 11594 2 25 25 ALA . 11594 2 26 26 LEU . 11594 2 27 27 TYR . 11594 2 28 28 LEU . 11594 2 29 29 MET . 11594 2 30 30 ALA . 11594 2 31 31 GLU . 11594 2 32 32 ARG . 11594 2 33 33 ILE . 11594 2 34 34 ALA . 11594 2 35 35 TRP . 11594 2 36 36 ALA . 11594 2 37 37 PRO . 11594 2 38 38 GLU . 11594 2 39 39 GLY . 11594 2 40 40 LYS . 11594 2 41 41 ASP . 11594 2 42 42 ARG . 11594 2 43 43 PHE . 11594 2 44 44 THR . 11594 2 45 45 ILE . 11594 2 46 46 SER . 11594 2 47 47 HIS . 11594 2 48 48 MET . 11594 2 49 49 TYR . 11594 2 50 50 ALA . 11594 2 51 51 ASP . 11594 2 52 52 ILE . 11594 2 53 53 LYS . 11594 2 54 54 CYS . 11594 2 55 55 GLN . 11594 2 56 56 LYS . 11594 2 57 57 ILE . 11594 2 58 58 SER . 11594 2 59 59 PRO . 11594 2 60 60 GLU . 11594 2 61 61 GLY . 11594 2 62 62 LYS . 11594 2 63 63 ALA . 11594 2 64 64 LYS . 11594 2 65 65 ILE . 11594 2 66 66 GLN . 11594 2 67 67 LEU . 11594 2 68 68 GLN . 11594 2 69 69 LEU . 11594 2 70 70 VAL . 11594 2 71 71 LEU . 11594 2 72 72 HIS . 11594 2 73 73 ALA . 11594 2 74 74 GLY . 11594 2 75 75 ASP . 11594 2 76 76 THR . 11594 2 77 77 THR . 11594 2 78 78 ASN . 11594 2 79 79 PHE . 11594 2 80 80 HIS . 11594 2 81 81 PHE . 11594 2 82 82 SER . 11594 2 83 83 ASN . 11594 2 84 84 GLU . 11594 2 85 85 SER . 11594 2 86 86 THR . 11594 2 87 87 ALA . 11594 2 88 88 VAL . 11594 2 89 89 LYS . 11594 2 90 90 GLU . 11594 2 91 91 ARG . 11594 2 92 92 ASP . 11594 2 93 93 ALA . 11594 2 94 94 VAL . 11594 2 95 95 LYS . 11594 2 96 96 ASP . 11594 2 97 97 LEU . 11594 2 98 98 LEU . 11594 2 99 99 GLN . 11594 2 100 100 GLN . 11594 2 101 101 LEU . 11594 2 102 102 LEU . 11594 2 103 103 PRO . 11594 2 104 104 LYS . 11594 2 105 105 PHE . 11594 2 106 106 LYS . 11594 2 107 107 ARG . 11594 2 108 108 LYS . 11594 2 109 109 ALA . 11594 2 110 110 ASN . 11594 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 11594 2 . SER 2 2 11594 2 . MET 3 3 11594 2 . ALA 4 4 11594 2 . THR 5 5 11594 2 . SER 6 6 11594 2 . SER 7 7 11594 2 . GLU 8 8 11594 2 . GLU 9 9 11594 2 . VAL 10 10 11594 2 . LEU 11 11 11594 2 . LEU 12 12 11594 2 . ILE 13 13 11594 2 . VAL 14 14 11594 2 . LYS 15 15 11594 2 . LYS 16 16 11594 2 . VAL 17 17 11594 2 . ARG 18 18 11594 2 . GLN 19 19 11594 2 . LYS 20 20 11594 2 . LYS 21 21 11594 2 . GLN 22 22 11594 2 . ASP 23 23 11594 2 . GLY 24 24 11594 2 . ALA 25 25 11594 2 . LEU 26 26 11594 2 . TYR 27 27 11594 2 . LEU 28 28 11594 2 . MET 29 29 11594 2 . ALA 30 30 11594 2 . GLU 31 31 11594 2 . ARG 32 32 11594 2 . ILE 33 33 11594 2 . ALA 34 34 11594 2 . TRP 35 35 11594 2 . ALA 36 36 11594 2 . PRO 37 37 11594 2 . GLU 38 38 11594 2 . GLY 39 39 11594 2 . LYS 40 40 11594 2 . ASP 41 41 11594 2 . ARG 42 42 11594 2 . PHE 43 43 11594 2 . THR 44 44 11594 2 . ILE 45 45 11594 2 . SER 46 46 11594 2 . HIS 47 47 11594 2 . MET 48 48 11594 2 . TYR 49 49 11594 2 . ALA 50 50 11594 2 . ASP 51 51 11594 2 . ILE 52 52 11594 2 . LYS 53 53 11594 2 . CYS 54 54 11594 2 . GLN 55 55 11594 2 . LYS 56 56 11594 2 . ILE 57 57 11594 2 . SER 58 58 11594 2 . PRO 59 59 11594 2 . GLU 60 60 11594 2 . GLY 61 61 11594 2 . LYS 62 62 11594 2 . ALA 63 63 11594 2 . LYS 64 64 11594 2 . ILE 65 65 11594 2 . GLN 66 66 11594 2 . LEU 67 67 11594 2 . GLN 68 68 11594 2 . LEU 69 69 11594 2 . VAL 70 70 11594 2 . LEU 71 71 11594 2 . HIS 72 72 11594 2 . ALA 73 73 11594 2 . GLY 74 74 11594 2 . ASP 75 75 11594 2 . THR 76 76 11594 2 . THR 77 77 11594 2 . ASN 78 78 11594 2 . PHE 79 79 11594 2 . HIS 80 80 11594 2 . PHE 81 81 11594 2 . SER 82 82 11594 2 . ASN 83 83 11594 2 . GLU 84 84 11594 2 . SER 85 85 11594 2 . THR 86 86 11594 2 . ALA 87 87 11594 2 . VAL 88 88 11594 2 . LYS 89 89 11594 2 . GLU 90 90 11594 2 . ARG 91 91 11594 2 . ASP 92 92 11594 2 . ALA 93 93 11594 2 . VAL 94 94 11594 2 . LYS 95 95 11594 2 . ASP 96 96 11594 2 . LEU 97 97 11594 2 . LEU 98 98 11594 2 . GLN 99 99 11594 2 . GLN 100 100 11594 2 . LEU 101 101 11594 2 . LEU 102 102 11594 2 . PRO 103 103 11594 2 . LYS 104 104 11594 2 . PHE 105 105 11594 2 . LYS 106 106 11594 2 . ARG 107 107 11594 2 . LYS 108 108 11594 2 . ALA 109 109 11594 2 . ASN 110 110 11594 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 11594 _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 $XPC_acidic_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 11594 1 2 2 $TFIIH_p62_PH_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 11594 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 11594 _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 $XPC_acidic_domain . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET15b . . . 11594 1 2 2 $TFIIH_p62_PH_domain . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pGEX-4T . . . 11594 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11594 _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 'XPC acidic domain' '[U-99% 13C; U-99% 15N]' . . 1 $XPC_acidic_domain . protein 0.4 . . mM . . . . 11594 1 2 'TFIIH p62 PH domain' 'natural abundance' . . 2 $TFIIH_p62_PH_domain . protein 0.48 . . mM . . . . 11594 1 3 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11594 1 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 11594 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11594 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11594 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11594 _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 'XPC acidic domain' '[U-99% 13C; U-99% 15N]' . . 1 $XPC_acidic_domain . protein 0.4 . . mM . . . . 11594 2 2 'TFIIH p62 PH domain' 'natural abundance' . . 2 $TFIIH_p62_PH_domain . protein 0.48 . . mM . . . . 11594 2 3 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11594 2 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 11594 2 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11594 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11594 _Sample.ID 3 _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 'TFIIH p62 PH domain' '[U-99% 13C; U-99% 15N]' . . 1 $XPC_acidic_domain . protein 0.4 . . mM . . . . 11594 3 2 'XPC acidic domain' 'natural abundance' . . 2 $TFIIH_p62_PH_domain . protein 0.48 . . mM . . . . 11594 3 3 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11594 3 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 11594 3 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11594 3 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11594 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 11594 _Sample.ID 4 _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 'TFIIH p62 PH domain' '[U-99% 13C; U-99% 15N]' . . 1 $XPC_acidic_domain . protein 0.4 . . mM . . . . 11594 4 2 'XPC acidic domain' 'natural abundance' . . 2 $TFIIH_p62_PH_domain . protein 0.48 . . mM . . . . 11594 4 3 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11594 4 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 11594 4 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11594 4 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 11594 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 11594 1 pH 6.8 . pH 11594 1 pressure 1 . atm 11594 1 temperature 305 . K 11594 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 11594 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11594 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11594 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11594 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11594 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11594 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11594 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11594 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11594 3 'structure solution' 11594 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 11594 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 11594 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11594 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 11594 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 11594 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11594 5 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 11594 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 11594 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11594 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11594 _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 . . . 11594 1 2 'spectrometer 2' Bruker Avance . 700 . . . 11594 1 3 'spectrometer 3' Bruker Avance . 600 . . . 11594 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 11594 _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 . . . . . . . . . . . . . . . . . . . . . 11594 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 8 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 14 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 17 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 18 '3D HNHB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 1 20 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11594 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 11594 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11594 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11594 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11594 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 11594 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11594 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11594 1 3 '3D HNCO' 1 $sample_1 isotropic 11594 1 4 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11594 1 5 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11594 1 6 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 11594 1 7 '3D HNHB' 1 $sample_1 isotropic 11594 1 8 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11594 1 9 '3D 1H-13C NOESY' 2 $sample_2 isotropic 11594 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 5 5 ALA HA H 1 4.2700 0.0000 . 1 . . . A 109 ALA HA . 11594 1 2 . 1 1 5 5 ALA HB1 H 1 1.3430 0.0000 . 1 . . . A 109 ALA HB1 . 11594 1 3 . 1 1 5 5 ALA HB2 H 1 1.3430 0.0000 . 1 . . . A 109 ALA HB1 . 11594 1 4 . 1 1 5 5 ALA HB3 H 1 1.3430 0.0000 . 1 . . . A 109 ALA HB1 . 11594 1 5 . 1 1 5 5 ALA C C 13 177.5760 0.0000 . 1 . . . A 109 ALA C . 11594 1 6 . 1 1 5 5 ALA CA C 13 52.5950 0.0000 . 1 . . . A 109 ALA CA . 11594 1 7 . 1 1 5 5 ALA CB C 13 18.9850 0.0000 . 1 . . . A 109 ALA CB . 11594 1 8 . 1 1 5 5 ALA N N 15 126.1720 0.0000 . 1 . . . A 109 ALA N . 11594 1 9 . 1 1 6 6 HIS H H 1 8.2350 0.0000 . 1 . . . A 110 HIS H . 11594 1 10 . 1 1 6 6 HIS HA H 1 4.5480 0.0000 . 1 . . . A 110 HIS HA . 11594 1 11 . 1 1 6 6 HIS HB2 H 1 3.0950 0.0000 . 2 . . . A 110 HIS HB2 . 11594 1 12 . 1 1 6 6 HIS HD2 H 1 7.0210 0.0000 . 1 . . . A 110 HIS HD2 . 11594 1 13 . 1 1 6 6 HIS CA C 13 56.6520 0.0000 . 1 . . . A 110 HIS CA . 11594 1 14 . 1 1 6 6 HIS CB C 13 30.5750 0.0000 . 1 . . . A 110 HIS CB . 11594 1 15 . 1 1 6 6 HIS CD2 C 13 119.2370 0.0000 . 1 . . . A 110 HIS CD2 . 11594 1 16 . 1 1 6 6 HIS N N 15 119.4100 0.0000 . 1 . . . A 110 HIS N . 11594 1 17 . 1 1 7 7 HIS HA H 1 4.5870 0.0000 . 1 . . . A 111 HIS HA . 11594 1 18 . 1 1 7 7 HIS HB2 H 1 3.1040 0.0000 . 2 . . . A 111 HIS HB2 . 11594 1 19 . 1 1 7 7 HIS HD2 H 1 6.9810 0.0000 . 1 . . . A 111 HIS HD2 . 11594 1 20 . 1 1 7 7 HIS C C 13 175.1880 0.0000 . 1 . . . A 111 HIS C . 11594 1 21 . 1 1 7 7 HIS CA C 13 56.6520 0.0000 . 1 . . . A 111 HIS CA . 11594 1 22 . 1 1 7 7 HIS CB C 13 30.5750 0.0000 . 1 . . . A 111 HIS CB . 11594 1 23 . 1 1 7 7 HIS CD2 C 13 119.2370 0.0000 . 1 . . . A 111 HIS CD2 . 11594 1 24 . 1 1 8 8 LEU H H 1 8.0650 0.0000 . 1 . . . A 112 LEU H . 11594 1 25 . 1 1 8 8 LEU HA H 1 4.3190 0.0000 . 1 . . . A 112 LEU HA . 11594 1 26 . 1 1 8 8 LEU HB2 H 1 1.6240 0.0000 . 2 . . . A 112 LEU HB2 . 11594 1 27 . 1 1 8 8 LEU HB3 H 1 1.5530 0.0000 . 2 . . . A 112 LEU HB3 . 11594 1 28 . 1 1 8 8 LEU HG H 1 1.4240 0.0000 . 1 . . . A 112 LEU HG . 11594 1 29 . 1 1 8 8 LEU HD11 H 1 0.9090 0.0000 . 2 . . . A 112 LEU HD11 . 11594 1 30 . 1 1 8 8 LEU HD12 H 1 0.9090 0.0000 . 2 . . . A 112 LEU HD11 . 11594 1 31 . 1 1 8 8 LEU HD13 H 1 0.9090 0.0000 . 2 . . . A 112 LEU HD11 . 11594 1 32 . 1 1 8 8 LEU HD21 H 1 0.8510 0.0000 . 2 . . . A 112 LEU HD21 . 11594 1 33 . 1 1 8 8 LEU HD22 H 1 0.8510 0.0000 . 2 . . . A 112 LEU HD21 . 11594 1 34 . 1 1 8 8 LEU HD23 H 1 0.8510 0.0000 . 2 . . . A 112 LEU HD21 . 11594 1 35 . 1 1 8 8 LEU C C 13 177.0940 0.0000 . 1 . . . A 112 LEU C . 11594 1 36 . 1 1 8 8 LEU CA C 13 54.9140 0.0000 . 1 . . . A 112 LEU CA . 11594 1 37 . 1 1 8 8 LEU CB C 13 42.1650 0.0000 . 1 . . . A 112 LEU CB . 11594 1 38 . 1 1 8 8 LEU CG C 13 26.5190 0.0000 . 1 . . . A 112 LEU CG . 11594 1 39 . 1 1 8 8 LEU CD1 C 13 24.7800 0.0000 . 2 . . . A 112 LEU CD1 . 11594 1 40 . 1 1 8 8 LEU CD2 C 13 23.0420 0.0000 . 2 . . . A 112 LEU CD2 . 11594 1 41 . 1 1 8 8 LEU N N 15 123.9700 0.0000 . 1 . . . A 112 LEU N . 11594 1 42 . 1 1 9 9 LYS H H 1 8.2330 0.0000 . 1 . . . A 113 LYS H . 11594 1 43 . 1 1 9 9 LYS HA H 1 4.3230 0.0000 . 1 . . . A 113 LYS HA . 11594 1 44 . 1 1 9 9 LYS HB2 H 1 1.8550 0.0000 . 2 . . . A 113 LYS HB2 . 11594 1 45 . 1 1 9 9 LYS HB3 H 1 1.7780 0.0000 . 2 . . . A 113 LYS HB3 . 11594 1 46 . 1 1 9 9 LYS HG2 H 1 1.4670 0.0000 . 2 . . . A 113 LYS HG2 . 11594 1 47 . 1 1 9 9 LYS HG3 H 1 1.4120 0.0000 . 2 . . . A 113 LYS HG3 . 11594 1 48 . 1 1 9 9 LYS HD2 H 1 1.6990 0.0000 . 2 . . . A 113 LYS HD2 . 11594 1 49 . 1 1 9 9 LYS HE2 H 1 3.0010 0.0000 . 2 . . . A 113 LYS HE2 . 11594 1 50 . 1 1 9 9 LYS C C 13 176.4210 0.0000 . 1 . . . A 113 LYS C . 11594 1 51 . 1 1 9 9 LYS CA C 13 56.6520 0.0000 . 1 . . . A 113 LYS CA . 11594 1 52 . 1 1 9 9 LYS CB C 13 32.8930 0.0000 . 1 . . . A 113 LYS CB . 11594 1 53 . 1 1 9 9 LYS CG C 13 24.7800 0.0000 . 1 . . . A 113 LYS CG . 11594 1 54 . 1 1 9 9 LYS CD C 13 28.8370 0.0000 . 1 . . . A 113 LYS CD . 11594 1 55 . 1 1 9 9 LYS CE C 13 42.1650 0.0000 . 1 . . . A 113 LYS CE . 11594 1 56 . 1 1 9 9 LYS N N 15 123.2640 0.0000 . 1 . . . A 113 LYS N . 11594 1 57 . 1 1 10 10 ARG H H 1 8.3510 0.0000 . 1 . . . A 114 ARG H . 11594 1 58 . 1 1 10 10 ARG HA H 1 4.3530 0.0000 . 1 . . . A 114 ARG HA . 11594 1 59 . 1 1 10 10 ARG HB2 H 1 1.8830 0.0000 . 2 . . . A 114 ARG HB2 . 11594 1 60 . 1 1 10 10 ARG HB3 H 1 1.8060 0.0000 . 2 . . . A 114 ARG HB3 . 11594 1 61 . 1 1 10 10 ARG HG2 H 1 1.6700 0.0000 . 2 . . . A 114 ARG HG2 . 11594 1 62 . 1 1 10 10 ARG HG3 H 1 1.6440 0.0000 . 2 . . . A 114 ARG HG3 . 11594 1 63 . 1 1 10 10 ARG HD2 H 1 3.2130 0.0000 . 2 . . . A 114 ARG HD2 . 11594 1 64 . 1 1 10 10 ARG C C 13 176.7430 0.0000 . 1 . . . A 114 ARG C . 11594 1 65 . 1 1 10 10 ARG CA C 13 56.0730 0.0000 . 1 . . . A 114 ARG CA . 11594 1 66 . 1 1 10 10 ARG CB C 13 30.5750 0.0000 . 1 . . . A 114 ARG CB . 11594 1 67 . 1 1 10 10 ARG CG C 13 27.0980 0.0000 . 1 . . . A 114 ARG CG . 11594 1 68 . 1 1 10 10 ARG CD C 13 43.3240 0.0000 . 1 . . . A 114 ARG CD . 11594 1 69 . 1 1 10 10 ARG N N 15 123.6700 0.0000 . 1 . . . A 114 ARG N . 11594 1 70 . 1 1 11 11 GLY H H 1 8.4590 0.0000 . 1 . . . A 115 GLY H . 11594 1 71 . 1 1 11 11 GLY HA2 H 1 3.9880 0.0000 . 2 . . . A 115 GLY HA2 . 11594 1 72 . 1 1 11 11 GLY C C 13 173.8160 0.0000 . 1 . . . A 115 GLY C . 11594 1 73 . 1 1 11 11 GLY CA C 13 45.0620 0.0000 . 1 . . . A 115 GLY CA . 11594 1 74 . 1 1 11 11 GLY N N 15 111.6640 0.0000 . 1 . . . A 115 GLY N . 11594 1 75 . 1 1 12 12 ALA H H 1 8.2220 0.0000 . 1 . . . A 116 ALA H . 11594 1 76 . 1 1 12 12 ALA HA H 1 4.4110 0.0000 . 1 . . . A 116 ALA HA . 11594 1 77 . 1 1 12 12 ALA HB1 H 1 1.4420 0.0000 . 1 . . . A 116 ALA HB1 . 11594 1 78 . 1 1 12 12 ALA HB2 H 1 1.4420 0.0000 . 1 . . . A 116 ALA HB1 . 11594 1 79 . 1 1 12 12 ALA HB3 H 1 1.4420 0.0000 . 1 . . . A 116 ALA HB1 . 11594 1 80 . 1 1 12 12 ALA C C 13 177.9790 0.0000 . 1 . . . A 116 ALA C . 11594 1 81 . 1 1 12 12 ALA CA C 13 52.5960 0.0000 . 1 . . . A 116 ALA CA . 11594 1 82 . 1 1 12 12 ALA CB C 13 19.5640 0.0000 . 1 . . . A 116 ALA CB . 11594 1 83 . 1 1 12 12 ALA N N 15 124.8350 0.0000 . 1 . . . A 116 ALA N . 11594 1 84 . 1 1 13 13 THR H H 1 8.1480 0.0000 . 1 . . . A 117 THR H . 11594 1 85 . 1 1 13 13 THR HA H 1 4.3940 0.0000 . 1 . . . A 117 THR HA . 11594 1 86 . 1 1 13 13 THR HB H 1 4.2780 0.0000 . 1 . . . A 117 THR HB . 11594 1 87 . 1 1 13 13 THR HG21 H 1 1.2240 0.0000 . 1 . . . A 117 THR HG21 . 11594 1 88 . 1 1 13 13 THR HG22 H 1 1.2240 0.0000 . 1 . . . A 117 THR HG21 . 11594 1 89 . 1 1 13 13 THR HG23 H 1 1.2240 0.0000 . 1 . . . A 117 THR HG21 . 11594 1 90 . 1 1 13 13 THR C C 13 174.5200 0.0000 . 1 . . . A 117 THR C . 11594 1 91 . 1 1 13 13 THR CA C 13 61.2890 0.0000 . 1 . . . A 117 THR CA . 11594 1 92 . 1 1 13 13 THR CB C 13 69.4020 0.0000 . 1 . . . A 117 THR CB . 11594 1 93 . 1 1 13 13 THR CG2 C 13 21.8830 0.0000 . 1 . . . A 117 THR CG2 . 11594 1 94 . 1 1 13 13 THR N N 15 113.7430 0.0000 . 1 . . . A 117 THR N . 11594 1 95 . 1 1 14 14 MET H H 1 8.3620 0.0000 . 1 . . . A 118 MET H . 11594 1 96 . 1 1 14 14 MET HA H 1 4.5140 0.0000 . 1 . . . A 118 MET HA . 11594 1 97 . 1 1 14 14 MET HB2 H 1 2.1340 0.0000 . 2 . . . A 118 MET HB2 . 11594 1 98 . 1 1 14 14 MET HB3 H 1 2.0390 0.0000 . 2 . . . A 118 MET HB3 . 11594 1 99 . 1 1 14 14 MET HG2 H 1 2.6110 0.0000 . 2 . . . A 118 MET HG2 . 11594 1 100 . 1 1 14 14 MET HG3 H 1 2.5460 0.0000 . 2 . . . A 118 MET HG3 . 11594 1 101 . 1 1 14 14 MET C C 13 175.7230 0.0000 . 1 . . . A 118 MET C . 11594 1 102 . 1 1 14 14 MET CA C 13 55.4930 0.0000 . 1 . . . A 118 MET CA . 11594 1 103 . 1 1 14 14 MET CB C 13 32.8930 0.0000 . 1 . . . A 118 MET CB . 11594 1 104 . 1 1 14 14 MET CG C 13 32.3140 0.0000 . 1 . . . A 118 MET CG . 11594 1 105 . 1 1 14 14 MET N N 15 123.0970 0.0000 . 1 . . . A 118 MET N . 11594 1 106 . 1 1 15 15 ASN H H 1 8.4460 0.0000 . 1 . . . A 119 ASN H . 11594 1 107 . 1 1 15 15 ASN HA H 1 4.7270 0.0000 . 1 . . . A 119 ASN HA . 11594 1 108 . 1 1 15 15 ASN HB2 H 1 2.8880 0.0000 . 2 . . . A 119 ASN HB2 . 11594 1 109 . 1 1 15 15 ASN HB3 H 1 2.7900 0.0000 . 2 . . . A 119 ASN HB3 . 11594 1 110 . 1 1 15 15 ASN HD21 H 1 6.9170 0.0000 . 2 . . . A 119 ASN HD21 . 11594 1 111 . 1 1 15 15 ASN HD22 H 1 7.6230 0.0000 . 2 . . . A 119 ASN HD22 . 11594 1 112 . 1 1 15 15 ASN C C 13 175.1240 0.0000 . 1 . . . A 119 ASN C . 11594 1 113 . 1 1 15 15 ASN CA C 13 53.1750 0.0000 . 1 . . . A 119 ASN CA . 11594 1 114 . 1 1 15 15 ASN CB C 13 38.6880 0.0000 . 1 . . . A 119 ASN CB . 11594 1 115 . 1 1 15 15 ASN N N 15 120.6470 0.0000 . 1 . . . A 119 ASN N . 11594 1 116 . 1 1 15 15 ASN ND2 N 15 114.1760 0.0000 . 1 . . . A 119 ASN ND2 . 11594 1 117 . 1 1 16 16 GLU H H 1 8.4630 0.0000 . 1 . . . A 120 GLU H . 11594 1 118 . 1 1 16 16 GLU HA H 1 4.2950 0.0000 . 1 . . . A 120 GLU HA . 11594 1 119 . 1 1 16 16 GLU HB2 H 1 2.0930 0.0000 . 2 . . . A 120 GLU HB2 . 11594 1 120 . 1 1 16 16 GLU HB3 H 1 1.9570 0.0000 . 2 . . . A 120 GLU HB3 . 11594 1 121 . 1 1 16 16 GLU HG2 H 1 2.2780 0.0000 . 2 . . . A 120 GLU HG2 . 11594 1 122 . 1 1 16 16 GLU C C 13 176.1370 0.0000 . 1 . . . A 120 GLU C . 11594 1 123 . 1 1 16 16 GLU CA C 13 56.9380 0.0000 . 1 . . . A 120 GLU CA . 11594 1 124 . 1 1 16 16 GLU CB C 13 30.3340 0.0000 . 1 . . . A 120 GLU CB . 11594 1 125 . 1 1 16 16 GLU CG C 13 36.3280 0.0000 . 1 . . . A 120 GLU CG . 11594 1 126 . 1 1 16 16 GLU N N 15 122.2710 0.0000 . 1 . . . A 120 GLU N . 11594 1 127 . 1 1 17 17 ASP H H 1 8.3510 0.0000 . 1 . . . A 121 ASP H . 11594 1 128 . 1 1 17 17 ASP HA H 1 4.6610 0.0000 . 1 . . . A 121 ASP HA . 11594 1 129 . 1 1 17 17 ASP HB2 H 1 2.7490 0.0000 . 2 . . . A 121 ASP HB2 . 11594 1 130 . 1 1 17 17 ASP HB3 H 1 2.6580 0.0000 . 2 . . . A 121 ASP HB3 . 11594 1 131 . 1 1 17 17 ASP C C 13 176.2300 0.0000 . 1 . . . A 121 ASP C . 11594 1 132 . 1 1 17 17 ASP CA C 13 54.3340 0.0000 . 1 . . . A 121 ASP CA . 11594 1 133 . 1 1 17 17 ASP CB C 13 41.0060 0.0000 . 1 . . . A 121 ASP CB . 11594 1 134 . 1 1 17 17 ASP N N 15 122.0140 0.0000 . 1 . . . A 121 ASP N . 11594 1 135 . 1 1 18 18 SER H H 1 8.1920 0.0000 . 1 . . . A 122 SER H . 11594 1 136 . 1 1 18 18 SER HA H 1 4.4890 0.0000 . 1 . . . A 122 SER HA . 11594 1 137 . 1 1 18 18 SER HB2 H 1 3.9150 0.0000 . 2 . . . A 122 SER HB2 . 11594 1 138 . 1 1 18 18 SER C C 13 174.3580 0.0000 . 1 . . . A 122 SER C . 11594 1 139 . 1 1 18 18 SER CA C 13 58.3910 0.0000 . 1 . . . A 122 SER CA . 11594 1 140 . 1 1 18 18 SER CB C 13 63.6070 0.0000 . 1 . . . A 122 SER CB . 11594 1 141 . 1 1 18 18 SER N N 15 117.0210 0.0000 . 1 . . . A 122 SER N . 11594 1 142 . 1 1 19 19 ASN H H 1 8.5020 0.0000 . 1 . . . A 123 ASN H . 11594 1 143 . 1 1 19 19 ASN HA H 1 4.7670 0.0000 . 1 . . . A 123 ASN HA . 11594 1 144 . 1 1 19 19 ASN HB2 H 1 2.8750 0.0000 . 2 . . . A 123 ASN HB2 . 11594 1 145 . 1 1 19 19 ASN HB3 H 1 2.7870 0.0000 . 2 . . . A 123 ASN HB3 . 11594 1 146 . 1 1 19 19 ASN HD21 H 1 6.9170 0.0000 . 2 . . . A 123 ASN HD21 . 11594 1 147 . 1 1 19 19 ASN HD22 H 1 7.6230 0.0000 . 2 . . . A 123 ASN HD22 . 11594 1 148 . 1 1 19 19 ASN C C 13 175.1880 0.0000 . 1 . . . A 123 ASN C . 11594 1 149 . 1 1 19 19 ASN CA C 13 53.1750 0.0000 . 1 . . . A 123 ASN CA . 11594 1 150 . 1 1 19 19 ASN CB C 13 38.6880 0.0000 . 1 . . . A 123 ASN CB . 11594 1 151 . 1 1 19 19 ASN N N 15 122.1390 0.0000 . 1 . . . A 123 ASN N . 11594 1 152 . 1 1 19 19 ASN ND2 N 15 114.1760 0.0000 . 1 . . . A 123 ASN ND2 . 11594 1 153 . 1 1 20 20 GLU H H 1 8.3750 0.0000 . 1 . . . A 124 GLU H . 11594 1 154 . 1 1 20 20 GLU HA H 1 4.2960 0.0000 . 1 . . . A 124 GLU HA . 11594 1 155 . 1 1 20 20 GLU HB2 H 1 2.0380 0.0000 . 2 . . . A 124 GLU HB2 . 11594 1 156 . 1 1 20 20 GLU HB3 H 1 1.8750 0.0000 . 2 . . . A 124 GLU HB3 . 11594 1 157 . 1 1 20 20 GLU HG2 H 1 2.2780 0.0000 . 2 . . . A 124 GLU HG2 . 11594 1 158 . 1 1 20 20 GLU C C 13 176.4200 0.0000 . 1 . . . A 124 GLU C . 11594 1 159 . 1 1 20 20 GLU CA C 13 56.8120 0.0000 . 1 . . . A 124 GLU CA . 11594 1 160 . 1 1 20 20 GLU CB C 13 30.5540 0.0000 . 1 . . . A 124 GLU CB . 11594 1 161 . 1 1 20 20 GLU CG C 13 36.3280 0.0000 . 1 . . . A 124 GLU CG . 11594 1 162 . 1 1 20 20 GLU N N 15 122.3230 0.0000 . 1 . . . A 124 GLU N . 11594 1 163 . 1 1 21 21 GLU H H 1 8.3810 0.0000 . 1 . . . A 125 GLU H . 11594 1 164 . 1 1 21 21 GLU HA H 1 4.2640 0.0000 . 1 . . . A 125 GLU HA . 11594 1 165 . 1 1 21 21 GLU HB2 H 1 2.0410 0.0000 . 2 . . . A 125 GLU HB2 . 11594 1 166 . 1 1 21 21 GLU HB3 H 1 1.9520 0.0000 . 2 . . . A 125 GLU HB3 . 11594 1 167 . 1 1 21 21 GLU HG2 H 1 2.2780 0.0000 . 2 . . . A 125 GLU HG2 . 11594 1 168 . 1 1 21 21 GLU C C 13 176.4960 0.0000 . 1 . . . A 125 GLU C . 11594 1 169 . 1 1 21 21 GLU CA C 13 56.6010 0.0000 . 1 . . . A 125 GLU CA . 11594 1 170 . 1 1 21 21 GLU CB C 13 30.4910 0.0000 . 1 . . . A 125 GLU CB . 11594 1 171 . 1 1 21 21 GLU CG C 13 36.3280 0.0000 . 1 . . . A 125 GLU CG . 11594 1 172 . 1 1 21 21 GLU N N 15 122.5790 0.0000 . 1 . . . A 125 GLU N . 11594 1 173 . 1 1 22 22 GLU H H 1 8.3580 0.0000 . 1 . . . A 126 GLU H . 11594 1 174 . 1 1 22 22 GLU HA H 1 4.2520 0.0000 . 1 . . . A 126 GLU HA . 11594 1 175 . 1 1 22 22 GLU HB2 H 1 2.0410 0.0000 . 2 . . . A 126 GLU HB2 . 11594 1 176 . 1 1 22 22 GLU HB3 H 1 1.9220 0.0000 . 2 . . . A 126 GLU HB3 . 11594 1 177 . 1 1 22 22 GLU HG2 H 1 2.2350 0.0000 . 2 . . . A 126 GLU HG2 . 11594 1 178 . 1 1 22 22 GLU C C 13 176.4750 0.0000 . 1 . . . A 126 GLU C . 11594 1 179 . 1 1 22 22 GLU CA C 13 56.5800 0.0000 . 1 . . . A 126 GLU CA . 11594 1 180 . 1 1 22 22 GLU CB C 13 30.5690 0.0000 . 1 . . . A 126 GLU CB . 11594 1 181 . 1 1 22 22 GLU CG C 13 36.3280 0.0000 . 1 . . . A 126 GLU CG . 11594 1 182 . 1 1 22 22 GLU N N 15 123.0980 0.0000 . 1 . . . A 126 GLU N . 11594 1 183 . 1 1 23 23 GLU H H 1 8.4360 0.0000 . 1 . . . A 127 GLU H . 11594 1 184 . 1 1 23 23 GLU HA H 1 4.2440 0.0000 . 1 . . . A 127 GLU HA . 11594 1 185 . 1 1 23 23 GLU HB2 H 1 1.9610 0.0000 . 2 . . . A 127 GLU HB2 . 11594 1 186 . 1 1 23 23 GLU HG2 H 1 2.2350 0.0000 . 2 . . . A 127 GLU HG2 . 11594 1 187 . 1 1 23 23 GLU C C 13 176.4970 0.0000 . 1 . . . A 127 GLU C . 11594 1 188 . 1 1 23 23 GLU CA C 13 56.6620 0.0000 . 1 . . . A 127 GLU CA . 11594 1 189 . 1 1 23 23 GLU CB C 13 30.5470 0.0000 . 1 . . . A 127 GLU CB . 11594 1 190 . 1 1 23 23 GLU CG C 13 36.3280 0.0000 . 1 . . . A 127 GLU CG . 11594 1 191 . 1 1 23 23 GLU N N 15 123.3840 0.0000 . 1 . . . A 127 GLU N . 11594 1 192 . 1 1 24 24 GLU H H 1 8.4750 0.0000 . 1 . . . A 128 GLU H . 11594 1 193 . 1 1 24 24 GLU HA H 1 4.2960 0.0000 . 1 . . . A 128 GLU HA . 11594 1 194 . 1 1 24 24 GLU HB2 H 1 2.0420 0.0000 . 2 . . . A 128 GLU HB2 . 11594 1 195 . 1 1 24 24 GLU HB3 H 1 1.9400 0.0000 . 2 . . . A 128 GLU HB3 . 11594 1 196 . 1 1 24 24 GLU HG2 H 1 2.2760 0.0000 . 2 . . . A 128 GLU HG2 . 11594 1 197 . 1 1 24 24 GLU C C 13 176.4640 0.0000 . 1 . . . A 128 GLU C . 11594 1 198 . 1 1 24 24 GLU CA C 13 56.6550 0.0000 . 1 . . . A 128 GLU CA . 11594 1 199 . 1 1 24 24 GLU CB C 13 30.5750 0.0000 . 1 . . . A 128 GLU CB . 11594 1 200 . 1 1 24 24 GLU CG C 13 36.3280 0.0000 . 1 . . . A 128 GLU CG . 11594 1 201 . 1 1 24 24 GLU N N 15 123.4570 0.0000 . 1 . . . A 128 GLU N . 11594 1 202 . 1 1 25 25 SER H H 1 8.4120 0.0000 . 1 . . . A 129 SER H . 11594 1 203 . 1 1 25 25 SER HA H 1 4.4640 0.0000 . 1 . . . A 129 SER HA . 11594 1 204 . 1 1 25 25 SER HB2 H 1 3.8480 0.0000 . 2 . . . A 129 SER HB2 . 11594 1 205 . 1 1 25 25 SER C C 13 174.6960 0.0000 . 1 . . . A 129 SER C . 11594 1 206 . 1 1 25 25 SER CA C 13 58.3910 0.0000 . 1 . . . A 129 SER CA . 11594 1 207 . 1 1 25 25 SER CB C 13 64.1860 0.0000 . 1 . . . A 129 SER CB . 11594 1 208 . 1 1 25 25 SER N N 15 118.6130 0.0000 . 1 . . . A 129 SER N . 11594 1 209 . 1 1 26 26 GLU H H 1 8.4810 0.0000 . 1 . . . A 130 GLU H . 11594 1 210 . 1 1 26 26 GLU HA H 1 4.2510 0.0000 . 1 . . . A 130 GLU HA . 11594 1 211 . 1 1 26 26 GLU HB2 H 1 1.9420 0.0000 . 2 . . . A 130 GLU HB2 . 11594 1 212 . 1 1 26 26 GLU HB3 H 1 1.8660 0.0000 . 2 . . . A 130 GLU HB3 . 11594 1 213 . 1 1 26 26 GLU HG2 H 1 1.9820 0.0000 . 2 . . . A 130 GLU HG2 . 11594 1 214 . 1 1 26 26 GLU C C 13 176.1790 0.0000 . 1 . . . A 130 GLU C . 11594 1 215 . 1 1 26 26 GLU CA C 13 56.6520 0.0000 . 1 . . . A 130 GLU CA . 11594 1 216 . 1 1 26 26 GLU CB C 13 29.9960 0.0000 . 1 . . . A 130 GLU CB . 11594 1 217 . 1 1 26 26 GLU CG C 13 35.7910 0.0000 . 1 . . . A 130 GLU CG . 11594 1 218 . 1 1 26 26 GLU N N 15 124.1210 0.0000 . 1 . . . A 130 GLU N . 11594 1 219 . 1 1 27 27 ASN H H 1 8.3080 0.0000 . 1 . . . A 131 ASN H . 11594 1 220 . 1 1 27 27 ASN HA H 1 4.8840 0.0000 . 1 . . . A 131 ASN HA . 11594 1 221 . 1 1 27 27 ASN HB2 H 1 2.7590 0.0000 . 2 . . . A 131 ASN HB2 . 11594 1 222 . 1 1 27 27 ASN HB3 H 1 2.6070 0.0000 . 2 . . . A 131 ASN HB3 . 11594 1 223 . 1 1 27 27 ASN HD21 H 1 6.7970 0.0000 . 2 . . . A 131 ASN HD21 . 11594 1 224 . 1 1 27 27 ASN HD22 H 1 7.4540 0.0000 . 2 . . . A 131 ASN HD22 . 11594 1 225 . 1 1 27 27 ASN C C 13 174.6350 0.0000 . 1 . . . A 131 ASN C . 11594 1 226 . 1 1 27 27 ASN CA C 13 53.1750 0.0000 . 1 . . . A 131 ASN CA . 11594 1 227 . 1 1 27 27 ASN CB C 13 39.2680 0.0000 . 1 . . . A 131 ASN CB . 11594 1 228 . 1 1 27 27 ASN N N 15 120.2610 0.0000 . 1 . . . A 131 ASN N . 11594 1 229 . 1 1 27 27 ASN ND2 N 15 113.8650 0.0000 . 1 . . . A 131 ASN ND2 . 11594 1 230 . 1 1 28 28 ASP H H 1 7.9560 0.0000 . 1 . . . A 132 ASP H . 11594 1 231 . 1 1 28 28 ASP HA H 1 4.6320 0.0000 . 1 . . . A 132 ASP HA . 11594 1 232 . 1 1 28 28 ASP HB2 H 1 2.4230 0.0000 . 2 . . . A 132 ASP HB2 . 11594 1 233 . 1 1 28 28 ASP C C 13 174.0840 0.0000 . 1 . . . A 132 ASP C . 11594 1 234 . 1 1 28 28 ASP CA C 13 53.7550 0.0000 . 1 . . . A 132 ASP CA . 11594 1 235 . 1 1 28 28 ASP CB C 13 41.0060 0.0000 . 1 . . . A 132 ASP CB . 11594 1 236 . 1 1 28 28 ASP N N 15 121.4560 0.0000 . 1 . . . A 132 ASP N . 11594 1 237 . 1 1 29 29 TRP H H 1 7.4700 0.0000 . 1 . . . A 133 TRP H . 11594 1 238 . 1 1 29 29 TRP HA H 1 4.5870 0.0000 . 1 . . . A 133 TRP HA . 11594 1 239 . 1 1 29 29 TRP HB2 H 1 3.0040 0.0000 . 1 . . . A 133 TRP HB2 . 11594 1 240 . 1 1 29 29 TRP HB3 H 1 2.7810 0.0000 . 1 . . . A 133 TRP HB3 . 11594 1 241 . 1 1 29 29 TRP HD1 H 1 7.2000 0.0000 . 1 . . . A 133 TRP HD1 . 11594 1 242 . 1 1 29 29 TRP HE1 H 1 9.8280 0.0000 . 1 . . . A 133 TRP HE1 . 11594 1 243 . 1 1 29 29 TRP HE3 H 1 6.9720 0.0000 . 1 . . . A 133 TRP HE3 . 11594 1 244 . 1 1 29 29 TRP HZ2 H 1 7.2790 0.0000 . 1 . . . A 133 TRP HZ2 . 11594 1 245 . 1 1 29 29 TRP HZ3 H 1 6.5420 0.0000 . 1 . . . A 133 TRP HZ3 . 11594 1 246 . 1 1 29 29 TRP HH2 H 1 6.7300 0.0000 . 1 . . . A 133 TRP HH2 . 11594 1 247 . 1 1 29 29 TRP C C 13 175.5690 0.0000 . 1 . . . A 133 TRP C . 11594 1 248 . 1 1 29 29 TRP CA C 13 56.0730 0.0000 . 1 . . . A 133 TRP CA . 11594 1 249 . 1 1 29 29 TRP CB C 13 33.4730 0.0000 . 1 . . . A 133 TRP CB . 11594 1 250 . 1 1 29 29 TRP CD1 C 13 127.9300 0.0000 . 1 . . . A 133 TRP CD1 . 11594 1 251 . 1 1 29 29 TRP CE3 C 13 119.8170 0.0000 . 1 . . . A 133 TRP CE3 . 11594 1 252 . 1 1 29 29 TRP CZ2 C 13 114.6020 0.0000 . 1 . . . A 133 TRP CZ2 . 11594 1 253 . 1 1 29 29 TRP CZ3 C 13 120.9760 0.0000 . 1 . . . A 133 TRP CZ3 . 11594 1 254 . 1 1 29 29 TRP CH2 C 13 123.2940 0.0000 . 1 . . . A 133 TRP CH2 . 11594 1 255 . 1 1 29 29 TRP N N 15 119.4590 0.0000 . 1 . . . A 133 TRP N . 11594 1 256 . 1 1 29 29 TRP NE1 N 15 130.4000 0.0000 . 1 . . . A 133 TRP NE1 . 11594 1 257 . 1 1 30 30 GLU H H 1 9.3510 0.0000 . 1 . . . A 134 GLU H . 11594 1 258 . 1 1 30 30 GLU HA H 1 4.7270 0.0000 . 1 . . . A 134 GLU HA . 11594 1 259 . 1 1 30 30 GLU HB2 H 1 1.9860 0.0000 . 2 . . . A 134 GLU HB2 . 11594 1 260 . 1 1 30 30 GLU HB3 H 1 2.0560 0.0000 . 2 . . . A 134 GLU HB3 . 11594 1 261 . 1 1 30 30 GLU HG2 H 1 2.2920 0.0000 . 2 . . . A 134 GLU HG2 . 11594 1 262 . 1 1 30 30 GLU HG3 H 1 2.2360 0.0000 . 2 . . . A 134 GLU HG3 . 11594 1 263 . 1 1 30 30 GLU C C 13 175.8500 0.0000 . 1 . . . A 134 GLU C . 11594 1 264 . 1 1 30 30 GLU CA C 13 54.9140 0.0000 . 1 . . . A 134 GLU CA . 11594 1 265 . 1 1 30 30 GLU CB C 13 31.7340 0.0000 . 1 . . . A 134 GLU CB . 11594 1 266 . 1 1 30 30 GLU CG C 13 36.3700 0.0000 . 1 . . . A 134 GLU CG . 11594 1 267 . 1 1 30 30 GLU N N 15 124.1980 0.0000 . 1 . . . A 134 GLU N . 11594 1 268 . 1 1 31 31 GLU H H 1 8.8750 0.0000 . 1 . . . A 135 GLU H . 11594 1 269 . 1 1 31 31 GLU HA H 1 4.3370 0.0000 . 1 . . . A 135 GLU HA . 11594 1 270 . 1 1 31 31 GLU HB2 H 1 1.9850 0.0000 . 1 . . . A 135 GLU HB2 . 11594 1 271 . 1 1 31 31 GLU HB3 H 1 2.0750 0.0000 . 1 . . . A 135 GLU HB3 . 11594 1 272 . 1 1 31 31 GLU HG2 H 1 2.3370 0.0000 . 2 . . . A 135 GLU HG2 . 11594 1 273 . 1 1 31 31 GLU HG3 H 1 2.2810 0.0000 . 2 . . . A 135 GLU HG3 . 11594 1 274 . 1 1 31 31 GLU C C 13 176.0420 0.0000 . 1 . . . A 135 GLU C . 11594 1 275 . 1 1 31 31 GLU CA C 13 57.2320 0.0000 . 1 . . . A 135 GLU CA . 11594 1 276 . 1 1 31 31 GLU CB C 13 29.9960 0.0000 . 1 . . . A 135 GLU CB . 11594 1 277 . 1 1 31 31 GLU CG C 13 36.9500 0.0000 . 1 . . . A 135 GLU CG . 11594 1 278 . 1 1 31 31 GLU N N 15 126.2510 0.0000 . 1 . . . A 135 GLU N . 11594 1 279 . 1 1 32 32 VAL H H 1 8.3240 0.0000 . 1 . . . A 136 VAL H . 11594 1 280 . 1 1 32 32 VAL HA H 1 4.0960 0.0000 . 1 . . . A 136 VAL HA . 11594 1 281 . 1 1 32 32 VAL HB H 1 1.9730 0.0000 . 1 . . . A 136 VAL HB . 11594 1 282 . 1 1 32 32 VAL HG11 H 1 1.0500 0.0000 . 1 . . . A 136 VAL HG11 . 11594 1 283 . 1 1 32 32 VAL HG12 H 1 1.0500 0.0000 . 1 . . . A 136 VAL HG11 . 11594 1 284 . 1 1 32 32 VAL HG13 H 1 1.0500 0.0000 . 1 . . . A 136 VAL HG11 . 11594 1 285 . 1 1 32 32 VAL HG21 H 1 0.9220 0.0000 . 1 . . . A 136 VAL HG21 . 11594 1 286 . 1 1 32 32 VAL HG22 H 1 0.9220 0.0000 . 1 . . . A 136 VAL HG21 . 11594 1 287 . 1 1 32 32 VAL HG23 H 1 0.9220 0.0000 . 1 . . . A 136 VAL HG21 . 11594 1 288 . 1 1 32 32 VAL C C 13 175.7360 0.0000 . 1 . . . A 136 VAL C . 11594 1 289 . 1 1 32 32 VAL CA C 13 61.8680 0.0000 . 1 . . . A 136 VAL CA . 11594 1 290 . 1 1 32 32 VAL CB C 13 32.3140 0.0000 . 1 . . . A 136 VAL CB . 11594 1 291 . 1 1 32 32 VAL CG1 C 13 21.3030 0.0000 . 1 . . . A 136 VAL CG1 . 11594 1 292 . 1 1 32 32 VAL CG2 C 13 21.8830 0.0000 . 1 . . . A 136 VAL CG2 . 11594 1 293 . 1 1 32 32 VAL N N 15 126.5270 0.0000 . 1 . . . A 136 VAL N . 11594 1 294 . 1 1 33 33 GLU H H 1 8.8120 0.0000 . 1 . . . A 137 GLU H . 11594 1 295 . 1 1 33 33 GLU HA H 1 4.2620 0.0000 . 1 . . . A 137 GLU HA . 11594 1 296 . 1 1 33 33 GLU HB2 H 1 2.0210 0.0000 . 2 . . . A 137 GLU HB2 . 11594 1 297 . 1 1 33 33 GLU HG2 H 1 2.3270 0.0000 . 2 . . . A 137 GLU HG2 . 11594 1 298 . 1 1 33 33 GLU HG3 H 1 2.2630 0.0000 . 2 . . . A 137 GLU HG3 . 11594 1 299 . 1 1 33 33 GLU C C 13 176.4010 0.0000 . 1 . . . A 137 GLU C . 11594 1 300 . 1 1 33 33 GLU CA C 13 57.2320 0.0000 . 1 . . . A 137 GLU CA . 11594 1 301 . 1 1 33 33 GLU CB C 13 30.5750 0.0000 . 1 . . . A 137 GLU CB . 11594 1 302 . 1 1 33 33 GLU CG C 13 36.3700 0.0000 . 1 . . . A 137 GLU CG . 11594 1 303 . 1 1 33 33 GLU N N 15 129.4910 0.0000 . 1 . . . A 137 GLU N . 11594 1 304 . 1 1 34 34 GLU H H 1 8.6470 0.0000 . 1 . . . A 138 GLU H . 11594 1 305 . 1 1 34 34 GLU HA H 1 4.4690 0.0000 . 1 . . . A 138 GLU HA . 11594 1 306 . 1 1 34 34 GLU HB2 H 1 2.0720 0.0000 . 2 . . . A 138 GLU HB2 . 11594 1 307 . 1 1 34 34 GLU HB3 H 1 2.0210 0.0000 . 2 . . . A 138 GLU HB3 . 11594 1 308 . 1 1 34 34 GLU HG2 H 1 2.4400 0.0000 . 2 . . . A 138 GLU HG2 . 11594 1 309 . 1 1 34 34 GLU HG3 H 1 2.3100 0.0000 . 2 . . . A 138 GLU HG3 . 11594 1 310 . 1 1 34 34 GLU C C 13 176.5040 0.0000 . 1 . . . A 138 GLU C . 11594 1 311 . 1 1 34 34 GLU CA C 13 56.0730 0.0000 . 1 . . . A 138 GLU CA . 11594 1 312 . 1 1 34 34 GLU CB C 13 30.5750 0.0000 . 1 . . . A 138 GLU CB . 11594 1 313 . 1 1 34 34 GLU CG C 13 36.3700 0.0000 . 1 . . . A 138 GLU CG . 11594 1 314 . 1 1 34 34 GLU N N 15 124.9800 0.0000 . 1 . . . A 138 GLU N . 11594 1 315 . 1 1 35 35 LEU H H 1 8.5360 0.0000 . 1 . . . A 139 LEU H . 11594 1 316 . 1 1 35 35 LEU HA H 1 4.4080 0.0000 . 1 . . . A 139 LEU HA . 11594 1 317 . 1 1 35 35 LEU HB2 H 1 1.6120 0.0000 . 2 . . . A 139 LEU HB2 . 11594 1 318 . 1 1 35 35 LEU HG H 1 1.6040 0.0000 . 1 . . . A 139 LEU HG . 11594 1 319 . 1 1 35 35 LEU HD11 H 1 0.8970 0.0000 . 2 . . . A 139 LEU HD11 . 11594 1 320 . 1 1 35 35 LEU HD12 H 1 0.8970 0.0000 . 2 . . . A 139 LEU HD11 . 11594 1 321 . 1 1 35 35 LEU HD13 H 1 0.8970 0.0000 . 2 . . . A 139 LEU HD11 . 11594 1 322 . 1 1 35 35 LEU HD21 H 1 0.8640 0.0000 . 2 . . . A 139 LEU HD21 . 11594 1 323 . 1 1 35 35 LEU HD22 H 1 0.8640 0.0000 . 2 . . . A 139 LEU HD21 . 11594 1 324 . 1 1 35 35 LEU HD23 H 1 0.8640 0.0000 . 2 . . . A 139 LEU HD21 . 11594 1 325 . 1 1 35 35 LEU C C 13 177.0000 0.0000 . 1 . . . A 139 LEU C . 11594 1 326 . 1 1 35 35 LEU CA C 13 54.9140 0.0000 . 1 . . . A 139 LEU CA . 11594 1 327 . 1 1 35 35 LEU CB C 13 42.1650 0.0000 . 1 . . . A 139 LEU CB . 11594 1 328 . 1 1 35 35 LEU CG C 13 27.0980 0.0000 . 1 . . . A 139 LEU CG . 11594 1 329 . 1 1 35 35 LEU CD1 C 13 25.3600 0.0000 . 2 . . . A 139 LEU CD1 . 11594 1 330 . 1 1 35 35 LEU CD2 C 13 23.0420 0.0000 . 2 . . . A 139 LEU CD2 . 11594 1 331 . 1 1 35 35 LEU N N 15 125.8690 0.0000 . 1 . . . A 139 LEU N . 11594 1 332 . 1 1 36 36 SER H H 1 8.3830 0.0000 . 1 . . . A 140 SER H . 11594 1 333 . 1 1 36 36 SER HA H 1 4.4800 0.0000 . 1 . . . A 140 SER HA . 11594 1 334 . 1 1 36 36 SER HB2 H 1 3.8560 0.0000 . 2 . . . A 140 SER HB2 . 11594 1 335 . 1 1 36 36 SER C C 13 174.0590 0.0000 . 1 . . . A 140 SER C . 11594 1 336 . 1 1 36 36 SER CA C 13 58.3910 0.0000 . 1 . . . A 140 SER CA . 11594 1 337 . 1 1 36 36 SER CB C 13 64.1860 0.0000 . 1 . . . A 140 SER CB . 11594 1 338 . 1 1 36 36 SER N N 15 118.7900 0.0000 . 1 . . . A 140 SER N . 11594 1 339 . 1 1 37 37 GLU H H 1 8.3240 0.0000 . 1 . . . A 141 GLU H . 11594 1 340 . 1 1 37 37 GLU HA H 1 4.6110 0.0000 . 1 . . . A 141 GLU HA . 11594 1 341 . 1 1 37 37 GLU HB2 H 1 2.0610 0.0000 . 2 . . . A 141 GLU HB2 . 11594 1 342 . 1 1 37 37 GLU HB3 H 1 1.9200 0.0000 . 2 . . . A 141 GLU HB3 . 11594 1 343 . 1 1 37 37 GLU HG2 H 1 2.2960 0.0000 . 2 . . . A 141 GLU HG2 . 11594 1 344 . 1 1 37 37 GLU CA C 13 54.3340 0.0000 . 1 . . . A 141 GLU CA . 11594 1 345 . 1 1 37 37 GLU CB C 13 29.9960 0.0000 . 1 . . . A 141 GLU CB . 11594 1 346 . 1 1 37 37 GLU CG C 13 35.7910 0.0000 . 1 . . . A 141 GLU CG . 11594 1 347 . 1 1 37 37 GLU N N 15 124.6320 0.0000 . 1 . . . A 141 GLU N . 11594 1 348 . 1 1 38 38 PRO HA H 1 4.4550 0.0000 . 1 . . . A 142 PRO HA . 11594 1 349 . 1 1 38 38 PRO HB2 H 1 1.8750 0.0000 . 2 . . . A 142 PRO HB2 . 11594 1 350 . 1 1 38 38 PRO HB3 H 1 2.2800 0.0000 . 2 . . . A 142 PRO HB3 . 11594 1 351 . 1 1 38 38 PRO HG2 H 1 2.0480 0.0000 . 2 . . . A 142 PRO HG2 . 11594 1 352 . 1 1 38 38 PRO HG3 H 1 2.0080 0.0000 . 2 . . . A 142 PRO HG3 . 11594 1 353 . 1 1 38 38 PRO HD2 H 1 3.8070 0.0000 . 2 . . . A 142 PRO HD2 . 11594 1 354 . 1 1 38 38 PRO HD3 H 1 3.7130 0.0000 . 2 . . . A 142 PRO HD3 . 11594 1 355 . 1 1 38 38 PRO C C 13 176.6300 0.0000 . 1 . . . A 142 PRO C . 11594 1 356 . 1 1 38 38 PRO CA C 13 63.0270 0.0000 . 1 . . . A 142 PRO CA . 11594 1 357 . 1 1 38 38 PRO CB C 13 32.3140 0.0000 . 1 . . . A 142 PRO CB . 11594 1 358 . 1 1 38 38 PRO CG C 13 27.0980 0.0000 . 1 . . . A 142 PRO CG . 11594 1 359 . 1 1 38 38 PRO CD C 13 50.8570 0.0000 . 1 . . . A 142 PRO CD . 11594 1 360 . 1 1 39 39 VAL H H 1 8.2690 0.0000 . 1 . . . A 143 VAL H . 11594 1 361 . 1 1 39 39 VAL HA H 1 4.0940 0.0000 . 1 . . . A 143 VAL HA . 11594 1 362 . 1 1 39 39 VAL HB H 1 2.0780 0.0000 . 1 . . . A 143 VAL HB . 11594 1 363 . 1 1 39 39 VAL HG11 H 1 0.9510 0.0000 . 2 . . . A 143 VAL HG11 . 11594 1 364 . 1 1 39 39 VAL HG12 H 1 0.9510 0.0000 . 2 . . . A 143 VAL HG11 . 11594 1 365 . 1 1 39 39 VAL HG13 H 1 0.9510 0.0000 . 2 . . . A 143 VAL HG11 . 11594 1 366 . 1 1 39 39 VAL HG21 H 1 0.9790 0.0000 . 2 . . . A 143 VAL HG21 . 11594 1 367 . 1 1 39 39 VAL HG22 H 1 0.9790 0.0000 . 2 . . . A 143 VAL HG21 . 11594 1 368 . 1 1 39 39 VAL HG23 H 1 0.9790 0.0000 . 2 . . . A 143 VAL HG21 . 11594 1 369 . 1 1 39 39 VAL C C 13 176.2550 0.0000 . 1 . . . A 143 VAL C . 11594 1 370 . 1 1 39 39 VAL CA C 13 61.8680 0.0000 . 1 . . . A 143 VAL CA . 11594 1 371 . 1 1 39 39 VAL CB C 13 32.3140 0.0000 . 1 . . . A 143 VAL CB . 11594 1 372 . 1 1 39 39 VAL CG1 C 13 21.3030 0.0000 . 2 . . . A 143 VAL CG1 . 11594 1 373 . 1 1 39 39 VAL CG2 C 13 20.7230 0.0000 . 2 . . . A 143 VAL CG2 . 11594 1 374 . 1 1 39 39 VAL N N 15 122.1040 0.0000 . 1 . . . A 143 VAL N . 11594 1 375 . 1 1 40 40 LEU H H 1 8.3530 0.0000 . 1 . . . A 144 LEU H . 11594 1 376 . 1 1 40 40 LEU HA H 1 4.4020 0.0000 . 1 . . . A 144 LEU HA . 11594 1 377 . 1 1 40 40 LEU HB2 H 1 1.6890 0.0000 . 2 . . . A 144 LEU HB2 . 11594 1 378 . 1 1 40 40 LEU HG H 1 1.6430 0.0000 . 1 . . . A 144 LEU HG . 11594 1 379 . 1 1 40 40 LEU HD11 H 1 0.9410 0.0000 . 2 . . . A 144 LEU HD11 . 11594 1 380 . 1 1 40 40 LEU HD12 H 1 0.9410 0.0000 . 2 . . . A 144 LEU HD11 . 11594 1 381 . 1 1 40 40 LEU HD13 H 1 0.9410 0.0000 . 2 . . . A 144 LEU HD11 . 11594 1 382 . 1 1 40 40 LEU HD21 H 1 0.8860 0.0000 . 2 . . . A 144 LEU HD21 . 11594 1 383 . 1 1 40 40 LEU HD22 H 1 0.8860 0.0000 . 2 . . . A 144 LEU HD21 . 11594 1 384 . 1 1 40 40 LEU HD23 H 1 0.8860 0.0000 . 2 . . . A 144 LEU HD21 . 11594 1 385 . 1 1 40 40 LEU C C 13 177.6580 0.0000 . 1 . . . A 144 LEU C . 11594 1 386 . 1 1 40 40 LEU CA C 13 54.9140 0.0000 . 1 . . . A 144 LEU CA . 11594 1 387 . 1 1 40 40 LEU CB C 13 42.1650 0.0000 . 1 . . . A 144 LEU CB . 11594 1 388 . 1 1 40 40 LEU CG C 13 27.0980 0.0000 . 1 . . . A 144 LEU CG . 11594 1 389 . 1 1 40 40 LEU CD1 C 13 24.7800 0.0000 . 2 . . . A 144 LEU CD1 . 11594 1 390 . 1 1 40 40 LEU CD2 C 13 23.6210 0.0000 . 2 . . . A 144 LEU CD2 . 11594 1 391 . 1 1 40 40 LEU N N 15 127.6580 0.0000 . 1 . . . A 144 LEU N . 11594 1 392 . 1 1 41 41 GLY H H 1 8.3090 0.0000 . 1 . . . A 145 GLY H . 11594 1 393 . 1 1 41 41 GLY HA2 H 1 3.9530 0.0000 . 2 . . . A 145 GLY HA2 . 11594 1 394 . 1 1 41 41 GLY C C 13 173.5760 0.0000 . 1 . . . A 145 GLY C . 11594 1 395 . 1 1 41 41 GLY CA C 13 45.0620 0.0000 . 1 . . . A 145 GLY CA . 11594 1 396 . 1 1 41 41 GLY N N 15 110.8040 0.0000 . 1 . . . A 145 GLY N . 11594 1 397 . 1 1 42 42 ASP H H 1 8.2150 0.0000 . 1 . . . A 146 ASP H . 11594 1 398 . 1 1 42 42 ASP HA H 1 4.6530 0.0000 . 1 . . . A 146 ASP HA . 11594 1 399 . 1 1 42 42 ASP HB2 H 1 2.7310 0.0000 . 2 . . . A 146 ASP HB2 . 11594 1 400 . 1 1 42 42 ASP HB3 H 1 2.6150 0.0000 . 2 . . . A 146 ASP HB3 . 11594 1 401 . 1 1 42 42 ASP C C 13 176.5010 0.0000 . 1 . . . A 146 ASP C . 11594 1 402 . 1 1 42 42 ASP CA C 13 54.3340 0.0000 . 1 . . . A 146 ASP CA . 11594 1 403 . 1 1 42 42 ASP CB C 13 41.5860 0.0000 . 1 . . . A 146 ASP CB . 11594 1 404 . 1 1 42 42 ASP N N 15 121.7840 0.0000 . 1 . . . A 146 ASP N . 11594 1 405 . 1 1 43 43 VAL H H 1 8.1400 0.0000 . 1 . . . A 147 VAL H . 11594 1 406 . 1 1 43 43 VAL HA H 1 4.1260 0.0000 . 1 . . . A 147 VAL HA . 11594 1 407 . 1 1 43 43 VAL HB H 1 2.1550 0.0000 . 1 . . . A 147 VAL HB . 11594 1 408 . 1 1 43 43 VAL HG11 H 1 0.9600 0.0000 . 2 . . . A 147 VAL HG11 . 11594 1 409 . 1 1 43 43 VAL HG12 H 1 0.9600 0.0000 . 2 . . . A 147 VAL HG11 . 11594 1 410 . 1 1 43 43 VAL HG13 H 1 0.9600 0.0000 . 2 . . . A 147 VAL HG11 . 11594 1 411 . 1 1 43 43 VAL C C 13 176.3430 0.0000 . 1 . . . A 147 VAL C . 11594 1 412 . 1 1 43 43 VAL CA C 13 62.4470 0.0000 . 1 . . . A 147 VAL CA . 11594 1 413 . 1 1 43 43 VAL CB C 13 32.3140 0.0000 . 1 . . . A 147 VAL CB . 11594 1 414 . 1 1 43 43 VAL CG1 C 13 20.7230 0.0000 . 2 . . . A 147 VAL CG1 . 11594 1 415 . 1 1 43 43 VAL N N 15 122.1210 0.0000 . 1 . . . A 147 VAL N . 11594 1 416 . 1 1 44 44 ARG H H 1 8.4060 0.0000 . 1 . . . A 148 ARG H . 11594 1 417 . 1 1 44 44 ARG HA H 1 4.3530 0.0000 . 1 . . . A 148 ARG HA . 11594 1 418 . 1 1 44 44 ARG HB2 H 1 1.8830 0.0000 . 2 . . . A 148 ARG HB2 . 11594 1 419 . 1 1 44 44 ARG HB3 H 1 1.8060 0.0000 . 2 . . . A 148 ARG HB3 . 11594 1 420 . 1 1 44 44 ARG HG2 H 1 1.6700 0.0000 . 2 . . . A 148 ARG HG2 . 11594 1 421 . 1 1 44 44 ARG HG3 H 1 1.6440 0.0000 . 2 . . . A 148 ARG HG3 . 11594 1 422 . 1 1 44 44 ARG HD2 H 1 3.2130 0.0000 . 2 . . . A 148 ARG HD2 . 11594 1 423 . 1 1 44 44 ARG C C 13 176.4210 0.0000 . 1 . . . A 148 ARG C . 11594 1 424 . 1 1 44 44 ARG CA C 13 56.0730 0.0000 . 1 . . . A 148 ARG CA . 11594 1 425 . 1 1 44 44 ARG CB C 13 30.5750 0.0000 . 1 . . . A 148 ARG CB . 11594 1 426 . 1 1 44 44 ARG CG C 13 27.0980 0.0000 . 1 . . . A 148 ARG CG . 11594 1 427 . 1 1 44 44 ARG CD C 13 43.3240 0.0000 . 1 . . . A 148 ARG CD . 11594 1 428 . 1 1 44 44 ARG N N 15 125.5050 0.0000 . 1 . . . A 148 ARG N . 11594 1 429 . 1 1 45 45 GLU H H 1 8.3860 0.0000 . 1 . . . A 149 GLU H . 11594 1 430 . 1 1 45 45 GLU HA H 1 4.3090 0.0000 . 1 . . . A 149 GLU HA . 11594 1 431 . 1 1 45 45 GLU HB2 H 1 2.0650 0.0000 . 2 . . . A 149 GLU HB2 . 11594 1 432 . 1 1 45 45 GLU HB3 H 1 1.9730 0.0000 . 2 . . . A 149 GLU HB3 . 11594 1 433 . 1 1 45 45 GLU HG2 H 1 2.2750 0.0000 . 2 . . . A 149 GLU HG2 . 11594 1 434 . 1 1 45 45 GLU C C 13 176.6590 0.0000 . 1 . . . A 149 GLU C . 11594 1 435 . 1 1 45 45 GLU CA C 13 56.7180 0.0000 . 1 . . . A 149 GLU CA . 11594 1 436 . 1 1 45 45 GLU CB C 13 30.3240 0.0000 . 1 . . . A 149 GLU CB . 11594 1 437 . 1 1 45 45 GLU CG C 13 36.1970 0.0000 . 1 . . . A 149 GLU CG . 11594 1 438 . 1 1 45 45 GLU N N 15 122.6100 0.0000 . 1 . . . A 149 GLU N . 11594 1 439 . 1 1 46 46 SER H H 1 8.3630 0.0000 . 1 . . . A 150 SER H . 11594 1 440 . 1 1 46 46 SER HA H 1 4.4980 0.0000 . 1 . . . A 150 SER HA . 11594 1 441 . 1 1 46 46 SER HB2 H 1 3.9590 0.0000 . 2 . . . A 150 SER HB2 . 11594 1 442 . 1 1 46 46 SER HB3 H 1 3.8920 0.0000 . 2 . . . A 150 SER HB3 . 11594 1 443 . 1 1 46 46 SER C C 13 175.0920 0.0000 . 1 . . . A 150 SER C . 11594 1 444 . 1 1 46 46 SER CA C 13 58.9700 0.0000 . 1 . . . A 150 SER CA . 11594 1 445 . 1 1 46 46 SER CB C 13 63.6070 0.0000 . 1 . . . A 150 SER CB . 11594 1 446 . 1 1 46 46 SER N N 15 117.8290 0.0000 . 1 . . . A 150 SER N . 11594 1 447 . 1 1 47 47 THR H H 1 8.1480 0.0000 . 1 . . . A 151 THR H . 11594 1 448 . 1 1 47 47 THR HA H 1 4.3550 0.0000 . 1 . . . A 151 THR HA . 11594 1 449 . 1 1 47 47 THR HB H 1 4.2780 0.0000 . 1 . . . A 151 THR HB . 11594 1 450 . 1 1 47 47 THR HG21 H 1 1.2230 0.0000 . 1 . . . A 151 THR HG21 . 11594 1 451 . 1 1 47 47 THR HG22 H 1 1.2230 0.0000 . 1 . . . A 151 THR HG21 . 11594 1 452 . 1 1 47 47 THR HG23 H 1 1.2230 0.0000 . 1 . . . A 151 THR HG21 . 11594 1 453 . 1 1 47 47 THR C C 13 174.4850 0.0000 . 1 . . . A 151 THR C . 11594 1 454 . 1 1 47 47 THR CA C 13 61.8680 0.0000 . 1 . . . A 151 THR CA . 11594 1 455 . 1 1 47 47 THR CB C 13 32.3140 0.0000 . 1 . . . A 151 THR CB . 11594 1 456 . 1 1 47 47 THR CG2 C 13 21.8820 0.0000 . 1 . . . A 151 THR CG2 . 11594 1 457 . 1 1 47 47 THR N N 15 116.6780 0.0000 . 1 . . . A 151 THR N . 11594 1 458 . 1 1 48 48 ALA H H 1 8.1650 0.0000 . 1 . . . A 152 ALA H . 11594 1 459 . 1 1 48 48 ALA HA H 1 4.2760 0.0000 . 1 . . . A 152 ALA HA . 11594 1 460 . 1 1 48 48 ALA HB1 H 1 1.2970 0.0000 . 1 . . . A 152 ALA HB1 . 11594 1 461 . 1 1 48 48 ALA HB2 H 1 1.2970 0.0000 . 1 . . . A 152 ALA HB1 . 11594 1 462 . 1 1 48 48 ALA HB3 H 1 1.2970 0.0000 . 1 . . . A 152 ALA HB1 . 11594 1 463 . 1 1 48 48 ALA C C 13 177.3790 0.0000 . 1 . . . A 152 ALA C . 11594 1 464 . 1 1 48 48 ALA CA C 13 52.5960 0.0000 . 1 . . . A 152 ALA CA . 11594 1 465 . 1 1 48 48 ALA CB C 13 18.9850 0.0000 . 1 . . . A 152 ALA CB . 11594 1 466 . 1 1 48 48 ALA N N 15 126.7570 0.0000 . 1 . . . A 152 ALA N . 11594 1 467 . 1 1 49 49 PHE H H 1 8.0190 0.0000 . 1 . . . A 153 PHE H . 11594 1 468 . 1 1 49 49 PHE HA H 1 4.6510 0.0000 . 1 . . . A 153 PHE HA . 11594 1 469 . 1 1 49 49 PHE HB2 H 1 3.1900 0.0000 . 2 . . . A 153 PHE HB2 . 11594 1 470 . 1 1 49 49 PHE HB3 H 1 3.0620 0.0000 . 2 . . . A 153 PHE HB3 . 11594 1 471 . 1 1 49 49 PHE HD2 H 1 7.2840 0.0000 . 3 . . . A 153 PHE HD2 . 11594 1 472 . 1 1 49 49 PHE HE2 H 1 7.3770 0.0000 . 3 . . . A 153 PHE HE2 . 11594 1 473 . 1 1 49 49 PHE HZ H 1 7.3230 0.0000 . 1 . . . A 153 PHE HZ . 11594 1 474 . 1 1 49 49 PHE C C 13 175.6760 0.0000 . 1 . . . A 153 PHE C . 11594 1 475 . 1 1 49 49 PHE CA C 13 57.8110 0.0000 . 1 . . . A 153 PHE CA . 11594 1 476 . 1 1 49 49 PHE CB C 13 39.2680 0.0000 . 1 . . . A 153 PHE CB . 11594 1 477 . 1 1 49 49 PHE CD2 C 13 131.9860 0.0000 . 3 . . . A 153 PHE CD2 . 11594 1 478 . 1 1 49 49 PHE CE2 C 13 131.4070 0.0000 . 3 . . . A 153 PHE CE2 . 11594 1 479 . 1 1 49 49 PHE CZ C 13 129.6680 0.0000 . 1 . . . A 153 PHE CZ . 11594 1 480 . 1 1 49 49 PHE N N 15 119.8210 0.0000 . 1 . . . A 153 PHE N . 11594 1 481 . 1 1 50 50 SER H H 1 8.1070 0.0000 . 1 . . . A 154 SER H . 11594 1 482 . 1 1 50 50 SER HA H 1 4.4720 0.0000 . 1 . . . A 154 SER HA . 11594 1 483 . 1 1 50 50 SER HB2 H 1 3.8250 0.0000 . 2 . . . A 154 SER HB2 . 11594 1 484 . 1 1 50 50 SER C C 13 174.0580 0.0000 . 1 . . . A 154 SER C . 11594 1 485 . 1 1 50 50 SER CA C 13 58.3910 0.0000 . 1 . . . A 154 SER CA . 11594 1 486 . 1 1 50 50 SER CB C 13 64.1860 0.0000 . 1 . . . A 154 SER CB . 11594 1 487 . 1 1 50 50 SER N N 15 118.3650 0.0000 . 1 . . . A 154 SER N . 11594 1 488 . 1 1 51 51 ARG H H 1 8.3050 0.0000 . 1 . . . A 155 ARG H . 11594 1 489 . 1 1 51 51 ARG HA H 1 4.4500 0.0000 . 1 . . . A 155 ARG HA . 11594 1 490 . 1 1 51 51 ARG HB2 H 1 1.9700 0.0000 . 2 . . . A 155 ARG HB2 . 11594 1 491 . 1 1 51 51 ARG HB3 H 1 1.8050 0.0000 . 2 . . . A 155 ARG HB3 . 11594 1 492 . 1 1 51 51 ARG HG2 H 1 1.7030 0.0000 . 2 . . . A 155 ARG HG2 . 11594 1 493 . 1 1 51 51 ARG HD2 H 1 3.2530 0.0000 . 2 . . . A 155 ARG HD2 . 11594 1 494 . 1 1 51 51 ARG C C 13 175.3950 0.0000 . 1 . . . A 155 ARG C . 11594 1 495 . 1 1 51 51 ARG CA C 13 56.0730 0.0000 . 1 . . . A 155 ARG CA . 11594 1 496 . 1 1 51 51 ARG CB C 13 30.5750 0.0000 . 1 . . . A 155 ARG CB . 11594 1 497 . 1 1 51 51 ARG CG C 13 27.0980 0.0000 . 1 . . . A 155 ARG CG . 11594 1 498 . 1 1 51 51 ARG CD C 13 43.3240 0.0000 . 1 . . . A 155 ARG CD . 11594 1 499 . 1 1 51 51 ARG N N 15 124.6670 0.0000 . 1 . . . A 155 ARG N . 11594 1 500 . 1 1 52 52 SER H H 1 7.9770 0.0000 . 1 . . . A 156 SER H . 11594 1 501 . 1 1 52 52 SER HA H 1 4.2970 0.0000 . 1 . . . A 156 SER HA . 11594 1 502 . 1 1 52 52 SER HB2 H 1 3.8610 0.0000 . 2 . . . A 156 SER HB2 . 11594 1 503 . 1 1 52 52 SER CA C 13 60.1290 0.0000 . 1 . . . A 156 SER CA . 11594 1 504 . 1 1 52 52 SER CB C 13 64.1860 0.0000 . 1 . . . A 156 SER CB . 11594 1 505 . 1 1 52 52 SER N N 15 123.8080 0.0000 . 1 . . . A 156 SER N . 11594 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 11594 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11594 2 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11594 2 4 '3D HNCO' 1 $sample_1 isotropic 11594 2 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11594 2 6 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11594 2 7 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 11594 2 8 '3D HNHB' 1 $sample_1 isotropic 11594 2 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11594 2 10 '3D 1H-13C NOESY' 2 $sample_2 isotropic 11594 2 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 . 2 2 3 3 MET HA H 1 4.4010 0.0000 . 1 . . . B 1 MET HA . 11594 2 2 . 2 2 3 3 MET HB2 H 1 1.9100 0.0000 . 2 . . . B 1 MET HB2 . 11594 2 3 . 2 2 3 3 MET HB3 H 1 1.8650 0.0000 . 2 . . . B 1 MET HB3 . 11594 2 4 . 2 2 3 3 MET HG2 H 1 2.3960 0.0000 . 2 . . . B 1 MET HG2 . 11594 2 5 . 2 2 3 3 MET HG3 H 1 2.3410 0.0000 . 2 . . . B 1 MET HG3 . 11594 2 6 . 2 2 3 3 MET C C 13 175.8990 0.0000 . 1 . . . B 1 MET C . 11594 2 7 . 2 2 3 3 MET CA C 13 55.4930 0.0000 . 1 . . . B 1 MET CA . 11594 2 8 . 2 2 3 3 MET CB C 13 32.3140 0.0000 . 1 . . . B 1 MET CB . 11594 2 9 . 2 2 3 3 MET CG C 13 31.7340 0.0000 . 1 . . . B 1 MET CG . 11594 2 10 . 2 2 4 4 ALA H H 1 8.2470 0.0000 . 1 . . . B 2 ALA H . 11594 2 11 . 2 2 4 4 ALA HA H 1 4.3740 0.0000 . 1 . . . B 2 ALA HA . 11594 2 12 . 2 2 4 4 ALA HB1 H 1 1.3770 0.0000 . 1 . . . B 2 ALA HB1 . 11594 2 13 . 2 2 4 4 ALA HB2 H 1 1.3770 0.0000 . 1 . . . B 2 ALA HB1 . 11594 2 14 . 2 2 4 4 ALA HB3 H 1 1.3770 0.0000 . 1 . . . B 2 ALA HB1 . 11594 2 15 . 2 2 4 4 ALA C C 13 177.8160 0.0000 . 1 . . . B 2 ALA C . 11594 2 16 . 2 2 4 4 ALA CA C 13 52.5960 0.0000 . 1 . . . B 2 ALA CA . 11594 2 17 . 2 2 4 4 ALA CB C 13 18.9850 0.0000 . 1 . . . B 2 ALA CB . 11594 2 18 . 2 2 4 4 ALA N N 15 125.9900 0.0000 . 1 . . . B 2 ALA N . 11594 2 19 . 2 2 5 5 THR H H 1 8.1270 0.0000 . 1 . . . B 3 THR H . 11594 2 20 . 2 2 5 5 THR HA H 1 4.3700 0.0000 . 1 . . . B 3 THR HA . 11594 2 21 . 2 2 5 5 THR HB H 1 4.3300 0.0000 . 1 . . . B 3 THR HB . 11594 2 22 . 2 2 5 5 THR HG21 H 1 1.1720 0.0000 . 1 . . . B 3 THR HG21 . 11594 2 23 . 2 2 5 5 THR HG22 H 1 1.1720 0.0000 . 1 . . . B 3 THR HG21 . 11594 2 24 . 2 2 5 5 THR HG23 H 1 1.1720 0.0000 . 1 . . . B 3 THR HG21 . 11594 2 25 . 2 2 5 5 THR C C 13 174.7830 0.0000 . 1 . . . B 3 THR C . 11594 2 26 . 2 2 5 5 THR CA C 13 61.2880 0.0000 . 1 . . . B 3 THR CA . 11594 2 27 . 2 2 5 5 THR CB C 13 69.4010 0.0000 . 1 . . . B 3 THR CB . 11594 2 28 . 2 2 5 5 THR CG2 C 13 21.8820 0.0000 . 1 . . . B 3 THR CG2 . 11594 2 29 . 2 2 5 5 THR N N 15 113.6610 0.0000 . 1 . . . B 3 THR N . 11594 2 30 . 2 2 6 6 SER H H 1 8.2840 0.0000 . 1 . . . B 4 SER H . 11594 2 31 . 2 2 6 6 SER HA H 1 4.5310 0.0000 . 1 . . . B 4 SER HA . 11594 2 32 . 2 2 6 6 SER HB2 H 1 3.8800 0.0000 . 2 . . . B 4 SER HB2 . 11594 2 33 . 2 2 6 6 SER HB3 H 1 3.8610 0.0000 . 2 . . . B 4 SER HB3 . 11594 2 34 . 2 2 6 6 SER C C 13 174.6850 0.0000 . 1 . . . B 4 SER C . 11594 2 35 . 2 2 6 6 SER CA C 13 58.3910 0.0000 . 1 . . . B 4 SER CA . 11594 2 36 . 2 2 6 6 SER CB C 13 63.6180 0.0000 . 1 . . . B 4 SER CB . 11594 2 37 . 2 2 6 6 SER N N 15 118.3120 0.0000 . 1 . . . B 4 SER N . 11594 2 38 . 2 2 7 7 SER H H 1 8.3240 0.0000 . 1 . . . B 5 SER H . 11594 2 39 . 2 2 7 7 SER HA H 1 4.4970 0.0000 . 1 . . . B 5 SER HA . 11594 2 40 . 2 2 7 7 SER HB2 H 1 3.9700 0.0000 . 2 . . . B 5 SER HB2 . 11594 2 41 . 2 2 7 7 SER HB3 H 1 3.9040 0.0000 . 2 . . . B 5 SER HB3 . 11594 2 42 . 2 2 7 7 SER C C 13 173.9190 0.0000 . 1 . . . B 5 SER C . 11594 2 43 . 2 2 7 7 SER CA C 13 58.3910 0.0000 . 1 . . . B 5 SER CA . 11594 2 44 . 2 2 7 7 SER CB C 13 63.6180 0.0000 . 1 . . . B 5 SER CB . 11594 2 45 . 2 2 7 7 SER N N 15 118.4250 0.0000 . 1 . . . B 5 SER N . 11594 2 46 . 2 2 8 8 GLU H H 1 8.0580 0.0000 . 1 . . . B 6 GLU H . 11594 2 47 . 2 2 8 8 GLU HA H 1 4.3200 0.0000 . 1 . . . B 6 GLU HA . 11594 2 48 . 2 2 8 8 GLU HB2 H 1 2.0290 0.0000 . 2 . . . B 6 GLU HB2 . 11594 2 49 . 2 2 8 8 GLU HB3 H 1 1.9360 0.0000 . 2 . . . B 6 GLU HB3 . 11594 2 50 . 2 2 8 8 GLU HG2 H 1 2.3140 0.0000 . 2 . . . B 6 GLU HG2 . 11594 2 51 . 2 2 8 8 GLU C C 13 175.4020 0.0000 . 1 . . . B 6 GLU C . 11594 2 52 . 2 2 8 8 GLU CA C 13 56.0730 0.0000 . 1 . . . B 6 GLU CA . 11594 2 53 . 2 2 8 8 GLU CB C 13 31.1550 0.0000 . 1 . . . B 6 GLU CB . 11594 2 54 . 2 2 8 8 GLU CG C 13 36.3700 0.0000 . 1 . . . B 6 GLU CG . 11594 2 55 . 2 2 8 8 GLU N N 15 124.8740 0.0000 . 1 . . . B 6 GLU N . 11594 2 56 . 2 2 9 9 GLU H H 1 8.5760 0.0000 . 1 . . . B 7 GLU H . 11594 2 57 . 2 2 9 9 GLU HA H 1 4.2250 0.0000 . 1 . . . B 7 GLU HA . 11594 2 58 . 2 2 9 9 GLU HB2 H 1 2.0310 0.0000 . 2 . . . B 7 GLU HB2 . 11594 2 59 . 2 2 9 9 GLU HG2 H 1 2.3100 0.0000 . 2 . . . B 7 GLU HG2 . 11594 2 60 . 2 2 9 9 GLU HG3 H 1 2.1640 0.0000 . 2 . . . B 7 GLU HG3 . 11594 2 61 . 2 2 9 9 GLU C C 13 175.0340 0.0000 . 1 . . . B 7 GLU C . 11594 2 62 . 2 2 9 9 GLU CA C 13 57.2320 0.0000 . 1 . . . B 7 GLU CA . 11594 2 63 . 2 2 9 9 GLU CB C 13 30.5750 0.0000 . 1 . . . B 7 GLU CB . 11594 2 64 . 2 2 9 9 GLU CG C 13 35.7910 0.0000 . 1 . . . B 7 GLU CG . 11594 2 65 . 2 2 9 9 GLU N N 15 126.8570 0.0000 . 1 . . . B 7 GLU N . 11594 2 66 . 2 2 10 10 VAL H H 1 8.4170 0.0000 . 1 . . . B 8 VAL H . 11594 2 67 . 2 2 10 10 VAL HA H 1 4.2840 0.0000 . 1 . . . B 8 VAL HA . 11594 2 68 . 2 2 10 10 VAL HB H 1 2.1160 0.0000 . 1 . . . B 8 VAL HB . 11594 2 69 . 2 2 10 10 VAL HG11 H 1 0.9700 0.0000 . 1 . . . B 8 VAL HG11 . 11594 2 70 . 2 2 10 10 VAL HG12 H 1 0.9700 0.0000 . 1 . . . B 8 VAL HG11 . 11594 2 71 . 2 2 10 10 VAL HG13 H 1 0.9700 0.0000 . 1 . . . B 8 VAL HG11 . 11594 2 72 . 2 2 10 10 VAL HG21 H 1 1.1550 0.0000 . 1 . . . B 8 VAL HG21 . 11594 2 73 . 2 2 10 10 VAL HG22 H 1 1.1550 0.0000 . 1 . . . B 8 VAL HG21 . 11594 2 74 . 2 2 10 10 VAL HG23 H 1 1.1550 0.0000 . 1 . . . B 8 VAL HG21 . 11594 2 75 . 2 2 10 10 VAL C C 13 176.0960 0.0000 . 1 . . . B 8 VAL C . 11594 2 76 . 2 2 10 10 VAL CA C 13 62.4470 0.0000 . 1 . . . B 8 VAL CA . 11594 2 77 . 2 2 10 10 VAL CB C 13 32.8930 0.0000 . 1 . . . B 8 VAL CB . 11594 2 78 . 2 2 10 10 VAL CG1 C 13 21.8830 0.0000 . 1 . . . B 8 VAL CG1 . 11594 2 79 . 2 2 10 10 VAL CG2 C 13 21.8830 0.0000 . 1 . . . B 8 VAL CG2 . 11594 2 80 . 2 2 10 10 VAL N N 15 125.8530 0.0000 . 1 . . . B 8 VAL N . 11594 2 81 . 2 2 11 11 LEU H H 1 9.5300 0.0000 . 1 . . . B 9 LEU H . 11594 2 82 . 2 2 11 11 LEU HA H 1 4.4200 0.0000 . 1 . . . B 9 LEU HA . 11594 2 83 . 2 2 11 11 LEU HB2 H 1 1.4960 0.0000 . 1 . . . B 9 LEU HB2 . 11594 2 84 . 2 2 11 11 LEU HB3 H 1 1.5800 0.0000 . 1 . . . B 9 LEU HB3 . 11594 2 85 . 2 2 11 11 LEU HG H 1 1.4990 0.0000 . 1 . . . B 9 LEU HG . 11594 2 86 . 2 2 11 11 LEU HD11 H 1 0.9170 0.0000 . 1 . . . B 9 LEU HD11 . 11594 2 87 . 2 2 11 11 LEU HD12 H 1 0.9170 0.0000 . 1 . . . B 9 LEU HD11 . 11594 2 88 . 2 2 11 11 LEU HD13 H 1 0.9170 0.0000 . 1 . . . B 9 LEU HD11 . 11594 2 89 . 2 2 11 11 LEU HD21 H 1 0.8460 0.0000 . 1 . . . B 9 LEU HD21 . 11594 2 90 . 2 2 11 11 LEU HD22 H 1 0.8460 0.0000 . 1 . . . B 9 LEU HD21 . 11594 2 91 . 2 2 11 11 LEU HD23 H 1 0.8460 0.0000 . 1 . . . B 9 LEU HD21 . 11594 2 92 . 2 2 11 11 LEU C C 13 177.3810 0.0000 . 1 . . . B 9 LEU C . 11594 2 93 . 2 2 11 11 LEU CA C 13 56.0730 0.0000 . 1 . . . B 9 LEU CA . 11594 2 94 . 2 2 11 11 LEU CB C 13 42.7440 0.0000 . 1 . . . B 9 LEU CB . 11594 2 95 . 2 2 11 11 LEU CG C 13 28.2570 0.0000 . 1 . . . B 9 LEU CG . 11594 2 96 . 2 2 11 11 LEU CD1 C 13 26.5190 0.0000 . 1 . . . B 9 LEU CD1 . 11594 2 97 . 2 2 11 11 LEU CD2 C 13 22.4620 0.0000 . 1 . . . B 9 LEU CD2 . 11594 2 98 . 2 2 11 11 LEU N N 15 129.1980 0.0000 . 1 . . . B 9 LEU N . 11594 2 99 . 2 2 12 12 LEU H H 1 7.6730 0.0000 . 1 . . . B 10 LEU H . 11594 2 100 . 2 2 12 12 LEU HA H 1 4.4550 0.0000 . 1 . . . B 10 LEU HA . 11594 2 101 . 2 2 12 12 LEU HB2 H 1 1.5760 0.0000 . 1 . . . B 10 LEU HB2 . 11594 2 102 . 2 2 12 12 LEU HB3 H 1 1.5510 0.0000 . 1 . . . B 10 LEU HB3 . 11594 2 103 . 2 2 12 12 LEU HG H 1 1.4110 0.0000 . 1 . . . B 10 LEU HG . 11594 2 104 . 2 2 12 12 LEU HD11 H 1 1.0030 0.0000 . 1 . . . B 10 LEU HD11 . 11594 2 105 . 2 2 12 12 LEU HD12 H 1 1.0030 0.0000 . 1 . . . B 10 LEU HD11 . 11594 2 106 . 2 2 12 12 LEU HD13 H 1 1.0030 0.0000 . 1 . . . B 10 LEU HD11 . 11594 2 107 . 2 2 12 12 LEU HD21 H 1 0.8050 0.0000 . 1 . . . B 10 LEU HD21 . 11594 2 108 . 2 2 12 12 LEU HD22 H 1 0.8050 0.0000 . 1 . . . B 10 LEU HD21 . 11594 2 109 . 2 2 12 12 LEU HD23 H 1 0.8050 0.0000 . 1 . . . B 10 LEU HD21 . 11594 2 110 . 2 2 12 12 LEU C C 13 173.1100 0.0000 . 1 . . . B 10 LEU C . 11594 2 111 . 2 2 12 12 LEU CA C 13 55.4930 0.0000 . 1 . . . B 10 LEU CA . 11594 2 112 . 2 2 12 12 LEU CB C 13 46.2210 0.0000 . 1 . . . B 10 LEU CB . 11594 2 113 . 2 2 12 12 LEU CG C 13 27.0980 0.0000 . 1 . . . B 10 LEU CG . 11594 2 114 . 2 2 12 12 LEU CD1 C 13 23.0420 0.0000 . 1 . . . B 10 LEU CD1 . 11594 2 115 . 2 2 12 12 LEU CD2 C 13 26.5190 0.0000 . 1 . . . B 10 LEU CD2 . 11594 2 116 . 2 2 12 12 LEU N N 15 120.4290 0.0000 . 1 . . . B 10 LEU N . 11594 2 117 . 2 2 13 13 ILE H H 1 8.0640 0.0000 . 1 . . . B 11 ILE H . 11594 2 118 . 2 2 13 13 ILE HA H 1 4.8170 0.0000 . 1 . . . B 11 ILE HA . 11594 2 119 . 2 2 13 13 ILE HB H 1 1.3270 0.0000 . 1 . . . B 11 ILE HB . 11594 2 120 . 2 2 13 13 ILE HG12 H 1 1.2620 0.0000 . 2 . . . B 11 ILE HG12 . 11594 2 121 . 2 2 13 13 ILE HG13 H 1 0.2050 0.0000 . 2 . . . B 11 ILE HG13 . 11594 2 122 . 2 2 13 13 ILE HG21 H 1 0.2630 0.0000 . 1 . . . B 11 ILE HG21 . 11594 2 123 . 2 2 13 13 ILE HG22 H 1 0.2630 0.0000 . 1 . . . B 11 ILE HG21 . 11594 2 124 . 2 2 13 13 ILE HG23 H 1 0.2630 0.0000 . 1 . . . B 11 ILE HG21 . 11594 2 125 . 2 2 13 13 ILE HD11 H 1 0.7370 0.0000 . 1 . . . B 11 ILE HD11 . 11594 2 126 . 2 2 13 13 ILE HD12 H 1 0.7370 0.0000 . 1 . . . B 11 ILE HD11 . 11594 2 127 . 2 2 13 13 ILE HD13 H 1 0.7370 0.0000 . 1 . . . B 11 ILE HD11 . 11594 2 128 . 2 2 13 13 ILE C C 13 175.8990 0.0000 . 1 . . . B 11 ILE C . 11594 2 129 . 2 2 13 13 ILE CA C 13 60.1290 0.0000 . 1 . . . B 11 ILE CA . 11594 2 130 . 2 2 13 13 ILE CB C 13 40.4270 0.0000 . 1 . . . B 11 ILE CB . 11594 2 131 . 2 2 13 13 ILE CG1 C 13 27.0980 0.0000 . 1 . . . B 11 ILE CG1 . 11594 2 132 . 2 2 13 13 ILE CG2 C 13 16.0880 0.0000 . 1 . . . B 11 ILE CG2 . 11594 2 133 . 2 2 13 13 ILE CD1 C 13 14.3490 0.0000 . 1 . . . B 11 ILE CD1 . 11594 2 134 . 2 2 13 13 ILE N N 15 126.3750 0.0000 . 1 . . . B 11 ILE N . 11594 2 135 . 2 2 14 14 VAL H H 1 9.2430 0.0000 . 1 . . . B 12 VAL H . 11594 2 136 . 2 2 14 14 VAL HA H 1 4.3540 0.0000 . 1 . . . B 12 VAL HA . 11594 2 137 . 2 2 14 14 VAL HB H 1 1.9120 0.0000 . 1 . . . B 12 VAL HB . 11594 2 138 . 2 2 14 14 VAL HG11 H 1 1.1760 0.0000 . 1 . . . B 12 VAL HG11 . 11594 2 139 . 2 2 14 14 VAL HG12 H 1 1.1760 0.0000 . 1 . . . B 12 VAL HG11 . 11594 2 140 . 2 2 14 14 VAL HG13 H 1 1.1760 0.0000 . 1 . . . B 12 VAL HG11 . 11594 2 141 . 2 2 14 14 VAL HG21 H 1 0.8840 0.0000 . 1 . . . B 12 VAL HG21 . 11594 2 142 . 2 2 14 14 VAL HG22 H 1 0.8840 0.0000 . 1 . . . B 12 VAL HG21 . 11594 2 143 . 2 2 14 14 VAL HG23 H 1 0.8840 0.0000 . 1 . . . B 12 VAL HG21 . 11594 2 144 . 2 2 14 14 VAL C C 13 174.9870 0.0000 . 1 . . . B 12 VAL C . 11594 2 145 . 2 2 14 14 VAL CA C 13 61.2880 0.0000 . 1 . . . B 12 VAL CA . 11594 2 146 . 2 2 14 14 VAL CB C 13 34.0520 0.0000 . 1 . . . B 12 VAL CB . 11594 2 147 . 2 2 14 14 VAL CG1 C 13 22.4620 0.0000 . 1 . . . B 12 VAL CG1 . 11594 2 148 . 2 2 14 14 VAL CG2 C 13 20.1440 0.0000 . 1 . . . B 12 VAL CG2 . 11594 2 149 . 2 2 14 14 VAL N N 15 129.2090 0.0000 . 1 . . . B 12 VAL N . 11594 2 150 . 2 2 15 15 LYS H H 1 8.6130 0.0000 . 1 . . . B 13 LYS H . 11594 2 151 . 2 2 15 15 LYS HA H 1 4.4670 0.0000 . 1 . . . B 13 LYS HA . 11594 2 152 . 2 2 15 15 LYS HB2 H 1 1.8180 0.0000 . 1 . . . B 13 LYS HB2 . 11594 2 153 . 2 2 15 15 LYS HB3 H 1 1.9670 0.0000 . 1 . . . B 13 LYS HB3 . 11594 2 154 . 2 2 15 15 LYS HG2 H 1 1.5290 0.0000 . 2 . . . B 13 LYS HG2 . 11594 2 155 . 2 2 15 15 LYS HG3 H 1 1.3530 0.0000 . 2 . . . B 13 LYS HG3 . 11594 2 156 . 2 2 15 15 LYS HD2 H 1 1.6710 0.0000 . 2 . . . B 13 LYS HD2 . 11594 2 157 . 2 2 15 15 LYS HE2 H 1 2.9540 0.0000 . 2 . . . B 13 LYS HE2 . 11594 2 158 . 2 2 15 15 LYS HE3 H 1 2.9270 0.0000 . 2 . . . B 13 LYS HE3 . 11594 2 159 . 2 2 15 15 LYS C C 13 176.0450 0.0000 . 1 . . . B 13 LYS C . 11594 2 160 . 2 2 15 15 LYS CA C 13 56.0730 0.0000 . 1 . . . B 13 LYS CA . 11594 2 161 . 2 2 15 15 LYS CB C 13 33.4730 0.0000 . 1 . . . B 13 LYS CB . 11594 2 162 . 2 2 15 15 LYS CG C 13 25.9390 0.0000 . 1 . . . B 13 LYS CG . 11594 2 163 . 2 2 15 15 LYS CD C 13 28.8370 0.0000 . 1 . . . B 13 LYS CD . 11594 2 164 . 2 2 15 15 LYS CE C 13 41.5860 0.0000 . 1 . . . B 13 LYS CE . 11594 2 165 . 2 2 15 15 LYS N N 15 126.5300 0.0000 . 1 . . . B 13 LYS N . 11594 2 166 . 2 2 16 16 LYS H H 1 8.6830 0.0000 . 1 . . . B 14 LYS H . 11594 2 167 . 2 2 16 16 LYS HA H 1 4.2280 0.0000 . 1 . . . B 14 LYS HA . 11594 2 168 . 2 2 16 16 LYS HB2 H 1 1.8150 0.0000 . 1 . . . B 14 LYS HB2 . 11594 2 169 . 2 2 16 16 LYS HB3 H 1 2.1230 0.0000 . 1 . . . B 14 LYS HB3 . 11594 2 170 . 2 2 16 16 LYS HG2 H 1 1.4100 0.0000 . 2 . . . B 14 LYS HG2 . 11594 2 171 . 2 2 16 16 LYS HG3 H 1 1.3710 0.0000 . 2 . . . B 14 LYS HG3 . 11594 2 172 . 2 2 16 16 LYS HD2 H 1 1.7050 0.0000 . 2 . . . B 14 LYS HD2 . 11594 2 173 . 2 2 16 16 LYS HD3 H 1 1.6540 0.0000 . 2 . . . B 14 LYS HD3 . 11594 2 174 . 2 2 16 16 LYS HE2 H 1 2.9720 0.0000 . 2 . . . B 14 LYS HE2 . 11594 2 175 . 2 2 16 16 LYS C C 13 176.3730 0.0000 . 1 . . . B 14 LYS C . 11594 2 176 . 2 2 16 16 LYS CA C 13 56.6520 0.0000 . 1 . . . B 14 LYS CA . 11594 2 177 . 2 2 16 16 LYS CB C 13 28.8370 0.0000 . 1 . . . B 14 LYS CB . 11594 2 178 . 2 2 16 16 LYS CG C 13 24.7800 0.0000 . 1 . . . B 14 LYS CG . 11594 2 179 . 2 2 16 16 LYS CD C 13 28.8370 0.0000 . 1 . . . B 14 LYS CD . 11594 2 180 . 2 2 16 16 LYS CE C 13 42.1650 0.0000 . 1 . . . B 14 LYS CE . 11594 2 181 . 2 2 16 16 LYS N N 15 117.2720 0.0000 . 1 . . . B 14 LYS N . 11594 2 182 . 2 2 17 17 VAL H H 1 8.3830 0.0000 . 1 . . . B 15 VAL H . 11594 2 183 . 2 2 17 17 VAL HA H 1 4.6130 0.0000 . 1 . . . B 15 VAL HA . 11594 2 184 . 2 2 17 17 VAL HB H 1 1.6600 0.0000 . 1 . . . B 15 VAL HB . 11594 2 185 . 2 2 17 17 VAL HG11 H 1 0.4700 0.0000 . 1 . . . B 15 VAL HG11 . 11594 2 186 . 2 2 17 17 VAL HG12 H 1 0.4700 0.0000 . 1 . . . B 15 VAL HG11 . 11594 2 187 . 2 2 17 17 VAL HG13 H 1 0.4700 0.0000 . 1 . . . B 15 VAL HG11 . 11594 2 188 . 2 2 17 17 VAL HG21 H 1 0.5050 0.0000 . 1 . . . B 15 VAL HG21 . 11594 2 189 . 2 2 17 17 VAL HG22 H 1 0.5050 0.0000 . 1 . . . B 15 VAL HG21 . 11594 2 190 . 2 2 17 17 VAL HG23 H 1 0.5050 0.0000 . 1 . . . B 15 VAL HG21 . 11594 2 191 . 2 2 17 17 VAL C C 13 176.6530 0.0000 . 1 . . . B 15 VAL C . 11594 2 192 . 2 2 17 17 VAL CA C 13 61.2880 0.0000 . 1 . . . B 15 VAL CA . 11594 2 193 . 2 2 17 17 VAL CB C 13 32.8930 0.0000 . 1 . . . B 15 VAL CB . 11594 2 194 . 2 2 17 17 VAL CG1 C 13 22.4620 0.0000 . 1 . . . B 15 VAL CG1 . 11594 2 195 . 2 2 17 17 VAL CG2 C 13 23.0420 0.0000 . 1 . . . B 15 VAL CG2 . 11594 2 196 . 2 2 17 17 VAL N N 15 122.8860 0.0000 . 1 . . . B 15 VAL N . 11594 2 197 . 2 2 18 18 ARG H H 1 9.9760 0.0000 . 1 . . . B 16 ARG H . 11594 2 198 . 2 2 18 18 ARG HA H 1 5.7040 0.0000 . 1 . . . B 16 ARG HA . 11594 2 199 . 2 2 18 18 ARG HB2 H 1 1.6760 0.0000 . 1 . . . B 16 ARG HB2 . 11594 2 200 . 2 2 18 18 ARG HB3 H 1 1.9300 0.0000 . 1 . . . B 16 ARG HB3 . 11594 2 201 . 2 2 18 18 ARG HG2 H 1 1.6050 0.0000 . 2 . . . B 16 ARG HG2 . 11594 2 202 . 2 2 18 18 ARG HG3 H 1 1.5360 0.0000 . 2 . . . B 16 ARG HG3 . 11594 2 203 . 2 2 18 18 ARG HD2 H 1 3.3010 0.0000 . 2 . . . B 16 ARG HD2 . 11594 2 204 . 2 2 18 18 ARG HD3 H 1 3.0600 0.0000 . 2 . . . B 16 ARG HD3 . 11594 2 205 . 2 2 18 18 ARG C C 13 175.9460 0.0000 . 1 . . . B 16 ARG C . 11594 2 206 . 2 2 18 18 ARG CA C 13 54.9140 0.0000 . 1 . . . B 16 ARG CA . 11594 2 207 . 2 2 18 18 ARG CB C 13 33.4730 0.0000 . 1 . . . B 16 ARG CB . 11594 2 208 . 2 2 18 18 ARG CG C 13 28.2570 0.0000 . 1 . . . B 16 ARG CG . 11594 2 209 . 2 2 18 18 ARG CD C 13 43.9030 0.0000 . 1 . . . B 16 ARG CD . 11594 2 210 . 2 2 18 18 ARG N N 15 131.2600 0.0000 . 1 . . . B 16 ARG N . 11594 2 211 . 2 2 19 19 GLN H H 1 8.2270 0.0000 . 1 . . . B 17 GLN H . 11594 2 212 . 2 2 19 19 GLN HA H 1 4.2870 0.0000 . 1 . . . B 17 GLN HA . 11594 2 213 . 2 2 19 19 GLN HB2 H 1 0.4330 0.0000 . 1 . . . B 17 GLN HB2 . 11594 2 214 . 2 2 19 19 GLN HB3 H 1 0.4030 0.0000 . 1 . . . B 17 GLN HB3 . 11594 2 215 . 2 2 19 19 GLN HG2 H 1 1.6620 0.0000 . 2 . . . B 17 GLN HG2 . 11594 2 216 . 2 2 19 19 GLN HG3 H 1 1.1670 0.0000 . 2 . . . B 17 GLN HG3 . 11594 2 217 . 2 2 19 19 GLN HE21 H 1 6.6570 0.0000 . 2 . . . B 17 GLN HE21 . 11594 2 218 . 2 2 19 19 GLN HE22 H 1 5.8610 0.0000 . 2 . . . B 17 GLN HE22 . 11594 2 219 . 2 2 19 19 GLN C C 13 174.9040 0.0000 . 1 . . . B 17 GLN C . 11594 2 220 . 2 2 19 19 GLN CA C 13 56.0730 0.0000 . 1 . . . B 17 GLN CA . 11594 2 221 . 2 2 19 19 GLN CB C 13 28.8370 0.0000 . 1 . . . B 17 GLN CB . 11594 2 222 . 2 2 19 19 GLN CG C 13 34.0520 0.0000 . 1 . . . B 17 GLN CG . 11594 2 223 . 2 2 19 19 GLN N N 15 124.5360 0.0000 . 1 . . . B 17 GLN N . 11594 2 224 . 2 2 19 19 GLN NE2 N 15 111.6190 0.0000 . 1 . . . B 17 GLN NE2 . 11594 2 225 . 2 2 20 20 LYS H H 1 9.5100 0.0000 . 1 . . . B 18 LYS H . 11594 2 226 . 2 2 20 20 LYS HA H 1 3.7790 0.0000 . 1 . . . B 18 LYS HA . 11594 2 227 . 2 2 20 20 LYS HB2 H 1 1.9380 0.0000 . 2 . . . B 18 LYS HB2 . 11594 2 228 . 2 2 20 20 LYS HB3 H 1 1.7110 0.0000 . 2 . . . B 18 LYS HB3 . 11594 2 229 . 2 2 20 20 LYS HG2 H 1 1.4170 0.0000 . 2 . . . B 18 LYS HG2 . 11594 2 230 . 2 2 20 20 LYS HG3 H 1 1.3070 0.0000 . 2 . . . B 18 LYS HG3 . 11594 2 231 . 2 2 20 20 LYS HD2 H 1 1.7110 0.0000 . 2 . . . B 18 LYS HD2 . 11594 2 232 . 2 2 20 20 LYS HE2 H 1 3.0240 0.0000 . 2 . . . B 18 LYS HE2 . 11594 2 233 . 2 2 20 20 LYS C C 13 175.6120 0.0000 . 1 . . . B 18 LYS C . 11594 2 234 . 2 2 20 20 LYS CA C 13 57.8110 0.0000 . 1 . . . B 18 LYS CA . 11594 2 235 . 2 2 20 20 LYS CB C 13 29.9960 0.0000 . 1 . . . B 18 LYS CB . 11594 2 236 . 2 2 20 20 LYS CG C 13 25.3600 0.0000 . 1 . . . B 18 LYS CG . 11594 2 237 . 2 2 20 20 LYS CD C 13 29.4160 0.0000 . 1 . . . B 18 LYS CD . 11594 2 238 . 2 2 20 20 LYS CE C 13 42.1650 0.0000 . 1 . . . B 18 LYS CE . 11594 2 239 . 2 2 20 20 LYS N N 15 128.2460 0.0000 . 1 . . . B 18 LYS N . 11594 2 240 . 2 2 21 21 LYS H H 1 8.8160 0.0000 . 1 . . . B 19 LYS H . 11594 2 241 . 2 2 21 21 LYS HA H 1 3.7580 0.0000 . 1 . . . B 19 LYS HA . 11594 2 242 . 2 2 21 21 LYS HB2 H 1 2.1480 0.0000 . 2 . . . B 19 LYS HB2 . 11594 2 243 . 2 2 21 21 LYS HB3 H 1 2.0770 0.0000 . 2 . . . B 19 LYS HB3 . 11594 2 244 . 2 2 21 21 LYS HG2 H 1 1.3730 0.0000 . 2 . . . B 19 LYS HG2 . 11594 2 245 . 2 2 21 21 LYS HD2 H 1 1.7220 0.0000 . 2 . . . B 19 LYS HD2 . 11594 2 246 . 2 2 21 21 LYS HD3 H 1 1.6830 0.0000 . 2 . . . B 19 LYS HD3 . 11594 2 247 . 2 2 21 21 LYS HE2 H 1 2.9860 0.0000 . 2 . . . B 19 LYS HE2 . 11594 2 248 . 2 2 21 21 LYS C C 13 174.9780 0.0000 . 1 . . . B 19 LYS C . 11594 2 249 . 2 2 21 21 LYS CA C 13 57.8110 0.0000 . 1 . . . B 19 LYS CA . 11594 2 250 . 2 2 21 21 LYS CB C 13 29.9960 0.0000 . 1 . . . B 19 LYS CB . 11594 2 251 . 2 2 21 21 LYS CG C 13 25.3600 0.0000 . 1 . . . B 19 LYS CG . 11594 2 252 . 2 2 21 21 LYS CD C 13 29.4160 0.0000 . 1 . . . B 19 LYS CD . 11594 2 253 . 2 2 21 21 LYS CE C 13 42.1650 0.0000 . 1 . . . B 19 LYS CE . 11594 2 254 . 2 2 21 21 LYS N N 15 111.2140 0.0000 . 1 . . . B 19 LYS N . 11594 2 255 . 2 2 22 22 GLN H H 1 7.7590 0.0000 . 1 . . . B 20 GLN H . 11594 2 256 . 2 2 22 22 GLN HA H 1 4.7620 0.0000 . 1 . . . B 20 GLN HA . 11594 2 257 . 2 2 22 22 GLN HB2 H 1 2.5360 0.0000 . 2 . . . B 20 GLN HB2 . 11594 2 258 . 2 2 22 22 GLN HB3 H 1 2.4360 0.0000 . 2 . . . B 20 GLN HB3 . 11594 2 259 . 2 2 22 22 GLN HG2 H 1 2.6510 0.0000 . 2 . . . B 20 GLN HG2 . 11594 2 260 . 2 2 22 22 GLN HG3 H 1 2.6320 0.0000 . 2 . . . B 20 GLN HG3 . 11594 2 261 . 2 2 22 22 GLN HE21 H 1 7.6720 0.0000 . 2 . . . B 20 GLN HE21 . 11594 2 262 . 2 2 22 22 GLN HE22 H 1 6.9760 0.0000 . 2 . . . B 20 GLN HE22 . 11594 2 263 . 2 2 22 22 GLN C C 13 175.3620 0.0000 . 1 . . . B 20 GLN C . 11594 2 264 . 2 2 22 22 GLN CA C 13 54.9140 0.0000 . 1 . . . B 20 GLN CA . 11594 2 265 . 2 2 22 22 GLN CB C 13 31.7340 0.0000 . 1 . . . B 20 GLN CB . 11594 2 266 . 2 2 22 22 GLN CG C 13 34.0520 0.0000 . 1 . . . B 20 GLN CG . 11594 2 267 . 2 2 22 22 GLN N N 15 120.4380 0.0000 . 1 . . . B 20 GLN N . 11594 2 268 . 2 2 22 22 GLN NE2 N 15 113.2070 0.0000 . 1 . . . B 20 GLN NE2 . 11594 2 269 . 2 2 23 23 ASP H H 1 8.8280 0.0000 . 1 . . . B 21 ASP H . 11594 2 270 . 2 2 23 23 ASP HA H 1 4.6880 0.0000 . 1 . . . B 21 ASP HA . 11594 2 271 . 2 2 23 23 ASP HB2 H 1 2.6390 0.0000 . 1 . . . B 21 ASP HB2 . 11594 2 272 . 2 2 23 23 ASP HB3 H 1 2.7040 0.0000 . 1 . . . B 21 ASP HB3 . 11594 2 273 . 2 2 23 23 ASP C C 13 177.0970 0.0000 . 1 . . . B 21 ASP C . 11594 2 274 . 2 2 23 23 ASP CA C 13 56.0730 0.0000 . 1 . . . B 21 ASP CA . 11594 2 275 . 2 2 23 23 ASP CB C 13 42.1650 0.0000 . 1 . . . B 21 ASP CB . 11594 2 276 . 2 2 23 23 ASP N N 15 124.6710 0.0000 . 1 . . . B 21 ASP N . 11594 2 277 . 2 2 24 24 GLY H H 1 7.8500 0.0000 . 1 . . . B 22 GLY H . 11594 2 278 . 2 2 24 24 GLY HA2 H 1 4.1470 0.0000 . 2 . . . B 22 GLY HA2 . 11594 2 279 . 2 2 24 24 GLY HA3 H 1 4.0180 0.0000 . 2 . . . B 22 GLY HA3 . 11594 2 280 . 2 2 24 24 GLY C C 13 170.5160 0.0000 . 1 . . . B 22 GLY C . 11594 2 281 . 2 2 24 24 GLY CA C 13 46.8010 0.0000 . 1 . . . B 22 GLY CA . 11594 2 282 . 2 2 24 24 GLY N N 15 113.4250 0.0000 . 1 . . . B 22 GLY N . 11594 2 283 . 2 2 25 25 ALA H H 1 7.8600 0.0000 . 1 . . . B 23 ALA H . 11594 2 284 . 2 2 25 25 ALA HA H 1 5.1670 0.0000 . 1 . . . B 23 ALA HA . 11594 2 285 . 2 2 25 25 ALA HB1 H 1 1.2620 0.0000 . 1 . . . B 23 ALA HB1 . 11594 2 286 . 2 2 25 25 ALA HB2 H 1 1.2620 0.0000 . 1 . . . B 23 ALA HB1 . 11594 2 287 . 2 2 25 25 ALA HB3 H 1 1.2620 0.0000 . 1 . . . B 23 ALA HB1 . 11594 2 288 . 2 2 25 25 ALA C C 13 173.5730 0.0000 . 1 . . . B 23 ALA C . 11594 2 289 . 2 2 25 25 ALA CA C 13 50.2780 0.0000 . 1 . . . B 23 ALA CA . 11594 2 290 . 2 2 25 25 ALA CB C 13 22.4620 0.0000 . 1 . . . B 23 ALA CB . 11594 2 291 . 2 2 25 25 ALA N N 15 123.0570 0.0000 . 1 . . . B 23 ALA N . 11594 2 292 . 2 2 26 26 LEU H H 1 9.0330 0.0000 . 1 . . . B 24 LEU H . 11594 2 293 . 2 2 26 26 LEU HA H 1 4.9630 0.0000 . 1 . . . B 24 LEU HA . 11594 2 294 . 2 2 26 26 LEU HB2 H 1 1.8670 0.0000 . 1 . . . B 24 LEU HB2 . 11594 2 295 . 2 2 26 26 LEU HB3 H 1 0.9740 0.0000 . 1 . . . B 24 LEU HB3 . 11594 2 296 . 2 2 26 26 LEU HG H 1 1.3230 0.0000 . 1 . . . B 24 LEU HG . 11594 2 297 . 2 2 26 26 LEU HD11 H 1 0.5780 0.0000 . 1 . . . B 24 LEU HD11 . 11594 2 298 . 2 2 26 26 LEU HD12 H 1 0.5780 0.0000 . 1 . . . B 24 LEU HD11 . 11594 2 299 . 2 2 26 26 LEU HD13 H 1 0.5780 0.0000 . 1 . . . B 24 LEU HD11 . 11594 2 300 . 2 2 26 26 LEU HD21 H 1 0.2570 0.0000 . 1 . . . B 24 LEU HD21 . 11594 2 301 . 2 2 26 26 LEU HD22 H 1 0.2570 0.0000 . 1 . . . B 24 LEU HD21 . 11594 2 302 . 2 2 26 26 LEU HD23 H 1 0.2570 0.0000 . 1 . . . B 24 LEU HD21 . 11594 2 303 . 2 2 26 26 LEU C C 13 173.8120 0.0000 . 1 . . . B 24 LEU C . 11594 2 304 . 2 2 26 26 LEU CA C 13 53.1750 0.0000 . 1 . . . B 24 LEU CA . 11594 2 305 . 2 2 26 26 LEU CB C 13 47.3800 0.0000 . 1 . . . B 24 LEU CB . 11594 2 306 . 2 2 26 26 LEU CG C 13 26.5190 0.0000 . 1 . . . B 24 LEU CG . 11594 2 307 . 2 2 26 26 LEU CD1 C 13 26.5190 0.0000 . 1 . . . B 24 LEU CD1 . 11594 2 308 . 2 2 26 26 LEU CD2 C 13 23.6210 0.0000 . 1 . . . B 24 LEU CD2 . 11594 2 309 . 2 2 26 26 LEU N N 15 124.8570 0.0000 . 1 . . . B 24 LEU N . 11594 2 310 . 2 2 27 27 TYR H H 1 9.6360 0.0000 . 1 . . . B 25 TYR H . 11594 2 311 . 2 2 27 27 TYR HA H 1 5.0190 0.0000 . 1 . . . B 25 TYR HA . 11594 2 312 . 2 2 27 27 TYR HB2 H 1 2.6910 0.0000 . 1 . . . B 25 TYR HB2 . 11594 2 313 . 2 2 27 27 TYR HB3 H 1 2.8130 0.0000 . 1 . . . B 25 TYR HB3 . 11594 2 314 . 2 2 27 27 TYR HD2 H 1 7.1260 0.0000 . 3 . . . B 25 TYR HD2 . 11594 2 315 . 2 2 27 27 TYR HE2 H 1 6.7490 0.0000 . 3 . . . B 25 TYR HE2 . 11594 2 316 . 2 2 27 27 TYR C C 13 174.2350 0.0000 . 1 . . . B 25 TYR C . 11594 2 317 . 2 2 27 27 TYR CA C 13 56.6520 0.0000 . 1 . . . B 25 TYR CA . 11594 2 318 . 2 2 27 27 TYR CB C 13 41.0060 0.0000 . 1 . . . B 25 TYR CB . 11594 2 319 . 2 2 27 27 TYR CD2 C 13 133.1450 0.0000 . 3 . . . B 25 TYR CD2 . 11594 2 320 . 2 2 27 27 TYR CE2 C 13 118.0780 0.0000 . 3 . . . B 25 TYR CE2 . 11594 2 321 . 2 2 27 27 TYR N N 15 126.5660 0.0000 . 1 . . . B 25 TYR N . 11594 2 322 . 2 2 28 28 LEU H H 1 9.2980 0.0000 . 1 . . . B 26 LEU H . 11594 2 323 . 2 2 28 28 LEU HA H 1 4.8480 0.0000 . 1 . . . B 26 LEU HA . 11594 2 324 . 2 2 28 28 LEU HB2 H 1 1.8010 0.0000 . 2 . . . B 26 LEU HB2 . 11594 2 325 . 2 2 28 28 LEU HG H 1 1.9230 0.0000 . 1 . . . B 26 LEU HG . 11594 2 326 . 2 2 28 28 LEU HD11 H 1 1.0800 0.0000 . 1 . . . B 26 LEU HD11 . 11594 2 327 . 2 2 28 28 LEU HD12 H 1 1.0800 0.0000 . 1 . . . B 26 LEU HD11 . 11594 2 328 . 2 2 28 28 LEU HD13 H 1 1.0800 0.0000 . 1 . . . B 26 LEU HD11 . 11594 2 329 . 2 2 28 28 LEU HD21 H 1 1.0370 0.0000 . 1 . . . B 26 LEU HD21 . 11594 2 330 . 2 2 28 28 LEU HD22 H 1 1.0370 0.0000 . 1 . . . B 26 LEU HD21 . 11594 2 331 . 2 2 28 28 LEU HD23 H 1 1.0370 0.0000 . 1 . . . B 26 LEU HD21 . 11594 2 332 . 2 2 28 28 LEU C C 13 175.3450 0.0000 . 1 . . . B 26 LEU C . 11594 2 333 . 2 2 28 28 LEU CA C 13 56.6520 0.0000 . 1 . . . B 26 LEU CA . 11594 2 334 . 2 2 28 28 LEU CB C 13 41.5860 0.0000 . 1 . . . B 26 LEU CB . 11594 2 335 . 2 2 28 28 LEU CG C 13 31.7340 0.0000 . 1 . . . B 26 LEU CG . 11594 2 336 . 2 2 28 28 LEU CD1 C 13 27.0980 0.0000 . 1 . . . B 26 LEU CD1 . 11594 2 337 . 2 2 28 28 LEU CD2 C 13 24.7800 0.0000 . 1 . . . B 26 LEU CD2 . 11594 2 338 . 2 2 28 28 LEU N N 15 126.0860 0.0000 . 1 . . . B 26 LEU N . 11594 2 339 . 2 2 29 29 MET H H 1 8.8850 0.0000 . 1 . . . B 27 MET H . 11594 2 340 . 2 2 29 29 MET HA H 1 5.3500 0.0000 . 1 . . . B 27 MET HA . 11594 2 341 . 2 2 29 29 MET HB2 H 1 2.1200 0.0000 . 1 . . . B 27 MET HB2 . 11594 2 342 . 2 2 29 29 MET HB3 H 1 2.5430 0.0000 . 1 . . . B 27 MET HB3 . 11594 2 343 . 2 2 29 29 MET HG2 H 1 2.6070 0.0000 . 2 . . . B 27 MET HG2 . 11594 2 344 . 2 2 29 29 MET HG3 H 1 2.3540 0.0000 . 2 . . . B 27 MET HG3 . 11594 2 345 . 2 2 29 29 MET HE1 H 1 1.6710 0.0000 . 1 . . . B 27 MET HE1 . 11594 2 346 . 2 2 29 29 MET HE2 H 1 1.6710 0.0000 . 1 . . . B 27 MET HE1 . 11594 2 347 . 2 2 29 29 MET HE3 H 1 1.6710 0.0000 . 1 . . . B 27 MET HE1 . 11594 2 348 . 2 2 29 29 MET C C 13 176.0810 0.0000 . 1 . . . B 27 MET C . 11594 2 349 . 2 2 29 29 MET CA C 13 53.7550 0.0000 . 1 . . . B 27 MET CA . 11594 2 350 . 2 2 29 29 MET CB C 13 34.0520 0.0000 . 1 . . . B 27 MET CB . 11594 2 351 . 2 2 29 29 MET CG C 13 34.0520 0.0000 . 1 . . . B 27 MET CG . 11594 2 352 . 2 2 29 29 MET CE C 13 18.4060 0.0000 . 1 . . . B 27 MET CE . 11594 2 353 . 2 2 29 29 MET N N 15 123.7520 0.0000 . 1 . . . B 27 MET N . 11594 2 354 . 2 2 30 30 ALA H H 1 8.0480 0.0000 . 1 . . . B 28 ALA H . 11594 2 355 . 2 2 30 30 ALA HA H 1 4.2560 0.0000 . 1 . . . B 28 ALA HA . 11594 2 356 . 2 2 30 30 ALA HB1 H 1 1.7160 0.0000 . 1 . . . B 28 ALA HB1 . 11594 2 357 . 2 2 30 30 ALA HB2 H 1 1.7160 0.0000 . 1 . . . B 28 ALA HB1 . 11594 2 358 . 2 2 30 30 ALA HB3 H 1 1.7160 0.0000 . 1 . . . B 28 ALA HB1 . 11594 2 359 . 2 2 30 30 ALA C C 13 178.8600 0.0000 . 1 . . . B 28 ALA C . 11594 2 360 . 2 2 30 30 ALA CA C 13 56.6520 0.0000 . 1 . . . B 28 ALA CA . 11594 2 361 . 2 2 30 30 ALA CB C 13 19.5640 0.0000 . 1 . . . B 28 ALA CB . 11594 2 362 . 2 2 30 30 ALA N N 15 122.5320 0.0000 . 1 . . . B 28 ALA N . 11594 2 363 . 2 2 31 31 GLU H H 1 8.6140 0.0000 . 1 . . . B 29 GLU H . 11594 2 364 . 2 2 31 31 GLU HA H 1 4.3590 0.0000 . 1 . . . B 29 GLU HA . 11594 2 365 . 2 2 31 31 GLU HB2 H 1 1.9520 0.0000 . 1 . . . B 29 GLU HB2 . 11594 2 366 . 2 2 31 31 GLU HB3 H 1 1.7470 0.0000 . 1 . . . B 29 GLU HB3 . 11594 2 367 . 2 2 31 31 GLU HG2 H 1 2.3220 0.0000 . 2 . . . B 29 GLU HG2 . 11594 2 368 . 2 2 31 31 GLU HG3 H 1 2.1780 0.0000 . 2 . . . B 29 GLU HG3 . 11594 2 369 . 2 2 31 31 GLU C C 13 175.5250 0.0000 . 1 . . . B 29 GLU C . 11594 2 370 . 2 2 31 31 GLU CA C 13 55.4930 0.0000 . 1 . . . B 29 GLU CA . 11594 2 371 . 2 2 31 31 GLU CB C 13 31.7340 0.0000 . 1 . . . B 29 GLU CB . 11594 2 372 . 2 2 31 31 GLU CG C 13 36.9500 0.0000 . 1 . . . B 29 GLU CG . 11594 2 373 . 2 2 31 31 GLU N N 15 109.0580 0.0000 . 1 . . . B 29 GLU N . 11594 2 374 . 2 2 32 32 ARG H H 1 6.5950 0.0000 . 1 . . . B 30 ARG H . 11594 2 375 . 2 2 32 32 ARG HA H 1 3.8960 0.0000 . 1 . . . B 30 ARG HA . 11594 2 376 . 2 2 32 32 ARG HB2 H 1 1.9110 0.0000 . 1 . . . B 30 ARG HB2 . 11594 2 377 . 2 2 32 32 ARG HB3 H 1 1.0550 0.0000 . 1 . . . B 30 ARG HB3 . 11594 2 378 . 2 2 32 32 ARG HG2 H 1 1.3940 0.0000 . 2 . . . B 30 ARG HG2 . 11594 2 379 . 2 2 32 32 ARG HG3 H 1 0.8500 0.0000 . 2 . . . B 30 ARG HG3 . 11594 2 380 . 2 2 32 32 ARG HD2 H 1 2.8150 0.0000 . 2 . . . B 30 ARG HD2 . 11594 2 381 . 2 2 32 32 ARG HD3 H 1 2.6780 0.0000 . 2 . . . B 30 ARG HD3 . 11594 2 382 . 2 2 32 32 ARG C C 13 170.3780 0.0000 . 1 . . . B 30 ARG C . 11594 2 383 . 2 2 32 32 ARG CA C 13 53.1750 0.0000 . 1 . . . B 30 ARG CA . 11594 2 384 . 2 2 32 32 ARG CB C 13 33.4730 0.0000 . 1 . . . B 30 ARG CB . 11594 2 385 . 2 2 32 32 ARG CG C 13 24.7800 0.0000 . 1 . . . B 30 ARG CG . 11594 2 386 . 2 2 32 32 ARG CD C 13 43.9030 0.0000 . 1 . . . B 30 ARG CD . 11594 2 387 . 2 2 32 32 ARG N N 15 117.1630 0.0000 . 1 . . . B 30 ARG N . 11594 2 388 . 2 2 33 33 ILE H H 1 8.2720 0.0000 . 1 . . . B 31 ILE H . 11594 2 389 . 2 2 33 33 ILE HA H 1 5.2030 0.0000 . 1 . . . B 31 ILE HA . 11594 2 390 . 2 2 33 33 ILE HB H 1 2.0170 0.0000 . 1 . . . B 31 ILE HB . 11594 2 391 . 2 2 33 33 ILE HG12 H 1 1.8620 0.0000 . 2 . . . B 31 ILE HG12 . 11594 2 392 . 2 2 33 33 ILE HG13 H 1 0.9550 0.0000 . 2 . . . B 31 ILE HG13 . 11594 2 393 . 2 2 33 33 ILE HG21 H 1 1.1320 0.0000 . 1 . . . B 31 ILE HG21 . 11594 2 394 . 2 2 33 33 ILE HG22 H 1 1.1320 0.0000 . 1 . . . B 31 ILE HG21 . 11594 2 395 . 2 2 33 33 ILE HG23 H 1 1.1320 0.0000 . 1 . . . B 31 ILE HG21 . 11594 2 396 . 2 2 33 33 ILE HD11 H 1 0.9750 0.0000 . 1 . . . B 31 ILE HD11 . 11594 2 397 . 2 2 33 33 ILE HD12 H 1 0.9750 0.0000 . 1 . . . B 31 ILE HD11 . 11594 2 398 . 2 2 33 33 ILE HD13 H 1 0.9750 0.0000 . 1 . . . B 31 ILE HD11 . 11594 2 399 . 2 2 33 33 ILE C C 13 171.4950 0.0000 . 1 . . . B 31 ILE C . 11594 2 400 . 2 2 33 33 ILE CA C 13 57.8110 0.0000 . 1 . . . B 31 ILE CA . 11594 2 401 . 2 2 33 33 ILE CB C 13 41.5860 0.0000 . 1 . . . B 31 ILE CB . 11594 2 402 . 2 2 33 33 ILE CG1 C 13 28.8370 0.0000 . 1 . . . B 31 ILE CG1 . 11594 2 403 . 2 2 33 33 ILE CG2 C 13 16.0880 0.0000 . 1 . . . B 31 ILE CG2 . 11594 2 404 . 2 2 33 33 ILE CD1 C 13 15.5080 0.0000 . 1 . . . B 31 ILE CD1 . 11594 2 405 . 2 2 33 33 ILE N N 15 118.9740 0.0000 . 1 . . . B 31 ILE N . 11594 2 406 . 2 2 34 34 ALA H H 1 9.2420 0.0000 . 1 . . . B 32 ALA H . 11594 2 407 . 2 2 34 34 ALA HA H 1 5.0460 0.0000 . 1 . . . B 32 ALA HA . 11594 2 408 . 2 2 34 34 ALA HB1 H 1 0.3250 0.0000 . 1 . . . B 32 ALA HB1 . 11594 2 409 . 2 2 34 34 ALA HB2 H 1 0.3250 0.0000 . 1 . . . B 32 ALA HB1 . 11594 2 410 . 2 2 34 34 ALA HB3 H 1 0.3250 0.0000 . 1 . . . B 32 ALA HB1 . 11594 2 411 . 2 2 34 34 ALA C C 13 173.9550 0.0000 . 1 . . . B 32 ALA C . 11594 2 412 . 2 2 34 34 ALA CA C 13 50.2780 0.0000 . 1 . . . B 32 ALA CA . 11594 2 413 . 2 2 34 34 ALA CB C 13 21.8830 0.0000 . 1 . . . B 32 ALA CB . 11594 2 414 . 2 2 34 34 ALA N N 15 130.0330 0.0000 . 1 . . . B 32 ALA N . 11594 2 415 . 2 2 35 35 TRP H H 1 8.8000 0.0000 . 1 . . . B 33 TRP H . 11594 2 416 . 2 2 35 35 TRP HA H 1 5.7610 0.0000 . 1 . . . B 33 TRP HA . 11594 2 417 . 2 2 35 35 TRP HB2 H 1 3.2500 0.0000 . 1 . . . B 33 TRP HB2 . 11594 2 418 . 2 2 35 35 TRP HB3 H 1 3.0150 0.0000 . 1 . . . B 33 TRP HB3 . 11594 2 419 . 2 2 35 35 TRP HD1 H 1 6.4650 0.0000 . 1 . . . B 33 TRP HD1 . 11594 2 420 . 2 2 35 35 TRP HE1 H 1 9.9830 0.0000 . 1 . . . B 33 TRP HE1 . 11594 2 421 . 2 2 35 35 TRP HE3 H 1 7.5620 0.0000 . 1 . . . B 33 TRP HE3 . 11594 2 422 . 2 2 35 35 TRP HZ2 H 1 7.8480 0.0000 . 1 . . . B 33 TRP HZ2 . 11594 2 423 . 2 2 35 35 TRP HZ3 H 1 7.1280 0.0000 . 1 . . . B 33 TRP HZ3 . 11594 2 424 . 2 2 35 35 TRP HH2 H 1 7.1940 0.0000 . 1 . . . B 33 TRP HH2 . 11594 2 425 . 2 2 35 35 TRP C C 13 174.3220 0.0000 . 1 . . . B 33 TRP C . 11594 2 426 . 2 2 35 35 TRP CA C 13 56.6520 0.0000 . 1 . . . B 33 TRP CA . 11594 2 427 . 2 2 35 35 TRP CB C 13 34.0520 0.0000 . 1 . . . B 33 TRP CB . 11594 2 428 . 2 2 35 35 TRP CD1 C 13 125.6120 0.0000 . 1 . . . B 33 TRP CD1 . 11594 2 429 . 2 2 35 35 TRP CE3 C 13 120.3960 0.0000 . 1 . . . B 33 TRP CE3 . 11594 2 430 . 2 2 35 35 TRP CZ2 C 13 115.1810 0.0000 . 1 . . . B 33 TRP CZ2 . 11594 2 431 . 2 2 35 35 TRP CZ3 C 13 122.1350 0.0000 . 1 . . . B 33 TRP CZ3 . 11594 2 432 . 2 2 35 35 TRP CH2 C 13 124.4530 0.0000 . 1 . . . B 33 TRP CH2 . 11594 2 433 . 2 2 35 35 TRP N N 15 121.5100 0.0000 . 1 . . . B 33 TRP N . 11594 2 434 . 2 2 35 35 TRP NE1 N 15 129.7290 0.0000 . 1 . . . B 33 TRP NE1 . 11594 2 435 . 2 2 36 36 ALA H H 1 8.0970 0.0000 . 1 . . . B 34 ALA H . 11594 2 436 . 2 2 36 36 ALA HA H 1 5.0960 0.0000 . 1 . . . B 34 ALA HA . 11594 2 437 . 2 2 36 36 ALA HB1 H 1 1.0950 0.0000 . 1 . . . B 34 ALA HB1 . 11594 2 438 . 2 2 36 36 ALA HB2 H 1 1.0950 0.0000 . 1 . . . B 34 ALA HB1 . 11594 2 439 . 2 2 36 36 ALA HB3 H 1 1.0950 0.0000 . 1 . . . B 34 ALA HB1 . 11594 2 440 . 2 2 36 36 ALA C C 13 173.2940 0.0000 . 1 . . . B 34 ALA C . 11594 2 441 . 2 2 36 36 ALA CA C 13 47.9600 0.0000 . 1 . . . B 34 ALA CA . 11594 2 442 . 2 2 36 36 ALA CB C 13 22.4620 0.0000 . 1 . . . B 34 ALA CB . 11594 2 443 . 2 2 36 36 ALA N N 15 131.2600 0.0000 . 1 . . . B 34 ALA N . 11594 2 444 . 2 2 37 37 PRO HA H 1 4.1070 0.0000 . 1 . . . B 35 PRO HA . 11594 2 445 . 2 2 37 37 PRO HB2 H 1 1.8250 0.0000 . 2 . . . B 35 PRO HB2 . 11594 2 446 . 2 2 37 37 PRO HB3 H 1 2.3950 0.0000 . 2 . . . B 35 PRO HB3 . 11594 2 447 . 2 2 37 37 PRO HG2 H 1 2.2230 0.0000 . 2 . . . B 35 PRO HG2 . 11594 2 448 . 2 2 37 37 PRO HG3 H 1 2.0070 0.0000 . 2 . . . B 35 PRO HG3 . 11594 2 449 . 2 2 37 37 PRO HD2 H 1 3.9900 0.0000 . 2 . . . B 35 PRO HD2 . 11594 2 450 . 2 2 37 37 PRO HD3 H 1 3.5880 0.0000 . 2 . . . B 35 PRO HD3 . 11594 2 451 . 2 2 37 37 PRO C C 13 176.4990 0.0000 . 1 . . . B 35 PRO C . 11594 2 452 . 2 2 37 37 PRO CA C 13 61.8680 0.0000 . 1 . . . B 35 PRO CA . 11594 2 453 . 2 2 37 37 PRO CB C 13 31.7340 0.0000 . 1 . . . B 35 PRO CB . 11594 2 454 . 2 2 37 37 PRO CG C 13 27.0980 0.0000 . 1 . . . B 35 PRO CG . 11594 2 455 . 2 2 37 37 PRO CD C 13 50.8570 0.0000 . 1 . . . B 35 PRO CD . 11594 2 456 . 2 2 38 38 GLU H H 1 8.4440 0.0000 . 1 . . . B 36 GLU H . 11594 2 457 . 2 2 38 38 GLU HA H 1 4.0380 0.0000 . 1 . . . B 36 GLU HA . 11594 2 458 . 2 2 38 38 GLU HB2 H 1 1.9040 0.0000 . 2 . . . B 36 GLU HB2 . 11594 2 459 . 2 2 38 38 GLU HB3 H 1 1.8370 0.0000 . 2 . . . B 36 GLU HB3 . 11594 2 460 . 2 2 38 38 GLU HG2 H 1 2.2540 0.0000 . 2 . . . B 36 GLU HG2 . 11594 2 461 . 2 2 38 38 GLU HG3 H 1 2.1790 0.0000 . 2 . . . B 36 GLU HG3 . 11594 2 462 . 2 2 38 38 GLU C C 13 177.5050 0.0000 . 1 . . . B 36 GLU C . 11594 2 463 . 2 2 38 38 GLU CA C 13 57.8110 0.0000 . 1 . . . B 36 GLU CA . 11594 2 464 . 2 2 38 38 GLU CB C 13 29.4160 0.0000 . 1 . . . B 36 GLU CB . 11594 2 465 . 2 2 38 38 GLU CG C 13 35.7910 0.0000 . 1 . . . B 36 GLU CG . 11594 2 466 . 2 2 38 38 GLU N N 15 124.0500 0.0000 . 1 . . . B 36 GLU N . 11594 2 467 . 2 2 39 39 GLY H H 1 8.6660 0.0000 . 1 . . . B 37 GLY H . 11594 2 468 . 2 2 39 39 GLY HA2 H 1 4.2030 0.0000 . 2 . . . B 37 GLY HA2 . 11594 2 469 . 2 2 39 39 GLY HA3 H 1 3.7100 0.0000 . 2 . . . B 37 GLY HA3 . 11594 2 470 . 2 2 39 39 GLY C C 13 174.0100 0.0000 . 1 . . . B 37 GLY C . 11594 2 471 . 2 2 39 39 GLY CA C 13 45.0620 0.0000 . 1 . . . B 37 GLY CA . 11594 2 472 . 2 2 39 39 GLY N N 15 114.2820 0.0000 . 1 . . . B 37 GLY N . 11594 2 473 . 2 2 40 40 LYS H H 1 7.6550 0.0000 . 1 . . . B 38 LYS H . 11594 2 474 . 2 2 40 40 LYS HA H 1 4.6220 0.0000 . 1 . . . B 38 LYS HA . 11594 2 475 . 2 2 40 40 LYS HB2 H 1 1.8920 0.0000 . 2 . . . B 38 LYS HB2 . 11594 2 476 . 2 2 40 40 LYS HB3 H 1 1.8350 0.0000 . 2 . . . B 38 LYS HB3 . 11594 2 477 . 2 2 40 40 LYS HG2 H 1 1.4410 0.0000 . 2 . . . B 38 LYS HG2 . 11594 2 478 . 2 2 40 40 LYS HG3 H 1 1.3660 0.0000 . 2 . . . B 38 LYS HG3 . 11594 2 479 . 2 2 40 40 LYS HD2 H 1 1.6820 0.0000 . 2 . . . B 38 LYS HD2 . 11594 2 480 . 2 2 40 40 LYS HD3 H 1 1.6210 0.0000 . 2 . . . B 38 LYS HD3 . 11594 2 481 . 2 2 40 40 LYS HE2 H 1 3.0000 0.0000 . 2 . . . B 38 LYS HE2 . 11594 2 482 . 2 2 40 40 LYS HE3 H 1 2.9780 0.0000 . 2 . . . B 38 LYS HE3 . 11594 2 483 . 2 2 40 40 LYS C C 13 175.7430 0.0000 . 1 . . . B 38 LYS C . 11594 2 484 . 2 2 40 40 LYS CA C 13 54.3340 0.0000 . 1 . . . B 38 LYS CA . 11594 2 485 . 2 2 40 40 LYS CB C 13 34.0520 0.0000 . 1 . . . B 38 LYS CB . 11594 2 486 . 2 2 40 40 LYS CG C 13 25.3600 0.0000 . 1 . . . B 38 LYS CG . 11594 2 487 . 2 2 40 40 LYS CD C 13 28.2570 0.0000 . 1 . . . B 38 LYS CD . 11594 2 488 . 2 2 40 40 LYS CE C 13 42.1650 0.0000 . 1 . . . B 38 LYS CE . 11594 2 489 . 2 2 40 40 LYS N N 15 120.2690 0.0000 . 1 . . . B 38 LYS N . 11594 2 490 . 2 2 41 41 ASP H H 1 8.2140 0.0000 . 1 . . . B 39 ASP H . 11594 2 491 . 2 2 41 41 ASP HA H 1 4.4200 0.0000 . 1 . . . B 39 ASP HA . 11594 2 492 . 2 2 41 41 ASP HB2 H 1 2.6800 0.0000 . 2 . . . B 39 ASP HB2 . 11594 2 493 . 2 2 41 41 ASP HB3 H 1 2.5340 0.0000 . 2 . . . B 39 ASP HB3 . 11594 2 494 . 2 2 41 41 ASP C C 13 174.8360 0.0000 . 1 . . . B 39 ASP C . 11594 2 495 . 2 2 41 41 ASP CA C 13 53.1750 0.0000 . 1 . . . B 39 ASP CA . 11594 2 496 . 2 2 41 41 ASP CB C 13 40.4270 0.0000 . 1 . . . B 39 ASP CB . 11594 2 497 . 2 2 41 41 ASP N N 15 120.4500 0.0000 . 1 . . . B 39 ASP N . 11594 2 498 . 2 2 42 42 ARG H H 1 6.8700 0.0000 . 1 . . . B 40 ARG H . 11594 2 499 . 2 2 42 42 ARG HA H 1 4.2450 0.0000 . 1 . . . B 40 ARG HA . 11594 2 500 . 2 2 42 42 ARG HB2 H 1 1.6840 0.0000 . 2 . . . B 40 ARG HB2 . 11594 2 501 . 2 2 42 42 ARG HB3 H 1 1.5840 0.0000 . 2 . . . B 40 ARG HB3 . 11594 2 502 . 2 2 42 42 ARG HG2 H 1 1.4440 0.0000 . 2 . . . B 40 ARG HG2 . 11594 2 503 . 2 2 42 42 ARG HD2 H 1 3.1280 0.0000 . 2 . . . B 40 ARG HD2 . 11594 2 504 . 2 2 42 42 ARG C C 13 174.5490 0.0000 . 1 . . . B 40 ARG C . 11594 2 505 . 2 2 42 42 ARG CA C 13 53.7550 0.0000 . 1 . . . B 40 ARG CA . 11594 2 506 . 2 2 42 42 ARG CB C 13 32.3140 0.0000 . 1 . . . B 40 ARG CB . 11594 2 507 . 2 2 42 42 ARG CG C 13 25.9390 0.0000 . 1 . . . B 40 ARG CG . 11594 2 508 . 2 2 42 42 ARG CD C 13 43.3240 0.0000 . 1 . . . B 40 ARG CD . 11594 2 509 . 2 2 42 42 ARG N N 15 116.9700 0.0000 . 1 . . . B 40 ARG N . 11594 2 510 . 2 2 43 43 PHE H H 1 7.8860 0.0000 . 1 . . . B 41 PHE H . 11594 2 511 . 2 2 43 43 PHE HA H 1 4.7220 0.0000 . 1 . . . B 41 PHE HA . 11594 2 512 . 2 2 43 43 PHE HB2 H 1 3.2080 0.0000 . 1 . . . B 41 PHE HB2 . 11594 2 513 . 2 2 43 43 PHE HB3 H 1 2.7570 0.0000 . 1 . . . B 41 PHE HB3 . 11594 2 514 . 2 2 43 43 PHE HD1 H 1 6.9270 0.0000 . 3 . . . B 41 PHE HD1 . 11594 2 515 . 2 2 43 43 PHE HE1 H 1 6.5490 0.0000 . 3 . . . B 41 PHE HE1 . 11594 2 516 . 2 2 43 43 PHE HZ H 1 6.5140 0.0000 . 1 . . . B 41 PHE HZ . 11594 2 517 . 2 2 43 43 PHE C C 13 177.5050 0.0000 . 1 . . . B 41 PHE C . 11594 2 518 . 2 2 43 43 PHE CA C 13 57.2320 0.0000 . 1 . . . B 41 PHE CA . 11594 2 519 . 2 2 43 43 PHE CB C 13 38.6880 0.0000 . 1 . . . B 41 PHE CB . 11594 2 520 . 2 2 43 43 PHE CD1 C 13 131.4080 0.0000 . 3 . . . B 41 PHE CD1 . 11594 2 521 . 2 2 43 43 PHE CE1 C 13 131.4080 0.0000 . 3 . . . B 41 PHE CE1 . 11594 2 522 . 2 2 43 43 PHE CZ C 13 131.4080 0.0000 . 1 . . . B 41 PHE CZ . 11594 2 523 . 2 2 43 43 PHE N N 15 120.2940 0.0000 . 1 . . . B 41 PHE N . 11594 2 524 . 2 2 44 44 THR H H 1 8.6800 0.0000 . 1 . . . B 42 THR H . 11594 2 525 . 2 2 44 44 THR HA H 1 4.6100 0.0000 . 1 . . . B 42 THR HA . 11594 2 526 . 2 2 44 44 THR HB H 1 4.5250 0.0000 . 1 . . . B 42 THR HB . 11594 2 527 . 2 2 44 44 THR HG21 H 1 1.2990 0.0000 . 1 . . . B 42 THR HG21 . 11594 2 528 . 2 2 44 44 THR HG22 H 1 1.2990 0.0000 . 1 . . . B 42 THR HG21 . 11594 2 529 . 2 2 44 44 THR HG23 H 1 1.2990 0.0000 . 1 . . . B 42 THR HG21 . 11594 2 530 . 2 2 44 44 THR C C 13 174.7690 0.0000 . 1 . . . B 42 THR C . 11594 2 531 . 2 2 44 44 THR CA C 13 62.4470 0.0000 . 1 . . . B 42 THR CA . 11594 2 532 . 2 2 44 44 THR CB C 13 68.8220 0.0000 . 1 . . . B 42 THR CB . 11594 2 533 . 2 2 44 44 THR CG2 C 13 23.0420 0.0000 . 1 . . . B 42 THR CG2 . 11594 2 534 . 2 2 44 44 THR N N 15 114.7650 0.0000 . 1 . . . B 42 THR N . 11594 2 535 . 2 2 45 45 ILE H H 1 7.8850 0.0000 . 1 . . . B 43 ILE H . 11594 2 536 . 2 2 45 45 ILE HA H 1 4.3130 0.0000 . 1 . . . B 43 ILE HA . 11594 2 537 . 2 2 45 45 ILE HB H 1 1.9970 0.0000 . 1 . . . B 43 ILE HB . 11594 2 538 . 2 2 45 45 ILE HG12 H 1 1.5510 0.0000 . 2 . . . B 43 ILE HG12 . 11594 2 539 . 2 2 45 45 ILE HG13 H 1 1.3150 0.0000 . 2 . . . B 43 ILE HG13 . 11594 2 540 . 2 2 45 45 ILE HG21 H 1 0.6690 0.0000 . 1 . . . B 43 ILE HG21 . 11594 2 541 . 2 2 45 45 ILE HG22 H 1 0.6690 0.0000 . 1 . . . B 43 ILE HG21 . 11594 2 542 . 2 2 45 45 ILE HG23 H 1 0.6690 0.0000 . 1 . . . B 43 ILE HG21 . 11594 2 543 . 2 2 45 45 ILE HD11 H 1 0.6840 0.0000 . 1 . . . B 43 ILE HD11 . 11594 2 544 . 2 2 45 45 ILE HD12 H 1 0.6840 0.0000 . 1 . . . B 43 ILE HD11 . 11594 2 545 . 2 2 45 45 ILE HD13 H 1 0.6840 0.0000 . 1 . . . B 43 ILE HD11 . 11594 2 546 . 2 2 45 45 ILE C C 13 174.6910 0.0000 . 1 . . . B 43 ILE C . 11594 2 547 . 2 2 45 45 ILE CA C 13 59.5500 0.0000 . 1 . . . B 43 ILE CA . 11594 2 548 . 2 2 45 45 ILE CB C 13 41.5860 0.0000 . 1 . . . B 43 ILE CB . 11594 2 549 . 2 2 45 45 ILE CG1 C 13 27.0980 0.0000 . 1 . . . B 43 ILE CG1 . 11594 2 550 . 2 2 45 45 ILE CG2 C 13 16.6670 0.0000 . 1 . . . B 43 ILE CG2 . 11594 2 551 . 2 2 45 45 ILE CD1 C 13 12.6110 0.0000 . 1 . . . B 43 ILE CD1 . 11594 2 552 . 2 2 45 45 ILE N N 15 124.1070 0.0000 . 1 . . . B 43 ILE N . 11594 2 553 . 2 2 46 46 SER H H 1 8.0790 0.0000 . 1 . . . B 44 SER H . 11594 2 554 . 2 2 46 46 SER HA H 1 4.7270 0.0000 . 1 . . . B 44 SER HA . 11594 2 555 . 2 2 46 46 SER HB2 H 1 3.5630 0.0000 . 1 . . . B 44 SER HB2 . 11594 2 556 . 2 2 46 46 SER HB3 H 1 3.3270 0.0000 . 1 . . . B 44 SER HB3 . 11594 2 557 . 2 2 46 46 SER C C 13 172.7700 0.0000 . 1 . . . B 44 SER C . 11594 2 558 . 2 2 46 46 SER CA C 13 57.2320 0.0000 . 1 . . . B 44 SER CA . 11594 2 559 . 2 2 46 46 SER CB C 13 63.0270 0.0000 . 1 . . . B 44 SER CB . 11594 2 560 . 2 2 46 46 SER N N 15 120.7120 0.0000 . 1 . . . B 44 SER N . 11594 2 561 . 2 2 47 47 HIS H H 1 9.0360 0.0000 . 1 . . . B 45 HIS H . 11594 2 562 . 2 2 47 47 HIS HA H 1 5.2850 0.0000 . 1 . . . B 45 HIS HA . 11594 2 563 . 2 2 47 47 HIS HB2 H 1 2.6430 0.0000 . 1 . . . B 45 HIS HB2 . 11594 2 564 . 2 2 47 47 HIS HB3 H 1 2.8450 0.0000 . 1 . . . B 45 HIS HB3 . 11594 2 565 . 2 2 47 47 HIS HD2 H 1 6.4090 0.0000 . 1 . . . B 45 HIS HD2 . 11594 2 566 . 2 2 47 47 HIS C C 13 175.0060 0.0000 . 1 . . . B 45 HIS C . 11594 2 567 . 2 2 47 47 HIS CA C 13 53.1750 0.0000 . 1 . . . B 45 HIS CA . 11594 2 568 . 2 2 47 47 HIS CB C 13 31.7340 0.0000 . 1 . . . B 45 HIS CB . 11594 2 569 . 2 2 47 47 HIS CD2 C 13 123.2940 0.0000 . 1 . . . B 45 HIS CD2 . 11594 2 570 . 2 2 47 47 HIS N N 15 126.0310 0.0000 . 1 . . . B 45 HIS N . 11594 2 571 . 2 2 48 48 MET H H 1 9.2310 0.0000 . 1 . . . B 46 MET H . 11594 2 572 . 2 2 48 48 MET HA H 1 4.3530 0.0000 . 1 . . . B 46 MET HA . 11594 2 573 . 2 2 48 48 MET HB2 H 1 2.4760 0.0000 . 1 . . . B 46 MET HB2 . 11594 2 574 . 2 2 48 48 MET HB3 H 1 1.9760 0.0000 . 1 . . . B 46 MET HB3 . 11594 2 575 . 2 2 48 48 MET HG2 H 1 2.7950 0.0000 . 2 . . . B 46 MET HG2 . 11594 2 576 . 2 2 48 48 MET HG3 H 1 2.6010 0.0000 . 2 . . . B 46 MET HG3 . 11594 2 577 . 2 2 48 48 MET HE1 H 1 2.0370 0.0000 . 1 . . . B 46 MET HE1 . 11594 2 578 . 2 2 48 48 MET HE2 H 1 2.0370 0.0000 . 1 . . . B 46 MET HE1 . 11594 2 579 . 2 2 48 48 MET HE3 H 1 2.0370 0.0000 . 1 . . . B 46 MET HE1 . 11594 2 580 . 2 2 48 48 MET C C 13 178.9750 0.0000 . 1 . . . B 46 MET C . 11594 2 581 . 2 2 48 48 MET CA C 13 54.3340 0.0000 . 1 . . . B 46 MET CA . 11594 2 582 . 2 2 48 48 MET CB C 13 29.4160 0.0000 . 1 . . . B 46 MET CB . 11594 2 583 . 2 2 48 48 MET CG C 13 32.3140 0.0000 . 1 . . . B 46 MET CG . 11594 2 584 . 2 2 48 48 MET CE C 13 16.6670 0.0000 . 1 . . . B 46 MET CE . 11594 2 585 . 2 2 48 48 MET N N 15 124.7440 0.0000 . 1 . . . B 46 MET N . 11594 2 586 . 2 2 49 49 TYR H H 1 7.7780 0.0000 . 1 . . . B 47 TYR H . 11594 2 587 . 2 2 49 49 TYR HA H 1 4.3490 0.0000 . 1 . . . B 47 TYR HA . 11594 2 588 . 2 2 49 49 TYR HB2 H 1 2.9560 0.0000 . 1 . . . B 47 TYR HB2 . 11594 2 589 . 2 2 49 49 TYR HB3 H 1 2.3280 0.0000 . 1 . . . B 47 TYR HB3 . 11594 2 590 . 2 2 49 49 TYR HD2 H 1 6.6130 0.0000 . 3 . . . B 47 TYR HD2 . 11594 2 591 . 2 2 49 49 TYR HE2 H 1 6.6180 0.0000 . 3 . . . B 47 TYR HE2 . 11594 2 592 . 2 2 49 49 TYR C C 13 179.2650 0.0000 . 1 . . . B 47 TYR C . 11594 2 593 . 2 2 49 49 TYR CA C 13 60.1290 0.0000 . 1 . . . B 47 TYR CA . 11594 2 594 . 2 2 49 49 TYR CB C 13 36.9500 0.0000 . 1 . . . B 47 TYR CB . 11594 2 595 . 2 2 49 49 TYR CD2 C 13 130.2480 0.0000 . 3 . . . B 47 TYR CD2 . 11594 2 596 . 2 2 49 49 TYR CE2 C 13 119.8170 0.0000 . 3 . . . B 47 TYR CE2 . 11594 2 597 . 2 2 49 49 TYR N N 15 125.4550 0.0000 . 1 . . . B 47 TYR N . 11594 2 598 . 2 2 50 50 ALA H H 1 8.8210 0.0000 . 1 . . . B 48 ALA H . 11594 2 599 . 2 2 50 50 ALA HA H 1 4.4240 0.0000 . 1 . . . B 48 ALA HA . 11594 2 600 . 2 2 50 50 ALA HB1 H 1 1.5530 0.0000 . 1 . . . B 48 ALA HB1 . 11594 2 601 . 2 2 50 50 ALA HB2 H 1 1.5530 0.0000 . 1 . . . B 48 ALA HB1 . 11594 2 602 . 2 2 50 50 ALA HB3 H 1 1.5530 0.0000 . 1 . . . B 48 ALA HB1 . 11594 2 603 . 2 2 50 50 ALA C C 13 178.2960 0.0000 . 1 . . . B 48 ALA C . 11594 2 604 . 2 2 50 50 ALA CA C 13 54.3340 0.0000 . 1 . . . B 48 ALA CA . 11594 2 605 . 2 2 50 50 ALA CB C 13 19.5640 0.0000 . 1 . . . B 48 ALA CB . 11594 2 606 . 2 2 50 50 ALA N N 15 119.8090 0.0000 . 1 . . . B 48 ALA N . 11594 2 607 . 2 2 51 51 ASP H H 1 7.8610 0.0000 . 1 . . . B 49 ASP H . 11594 2 608 . 2 2 51 51 ASP HA H 1 5.0300 0.0000 . 1 . . . B 49 ASP HA . 11594 2 609 . 2 2 51 51 ASP HB2 H 1 3.0750 0.0000 . 1 . . . B 49 ASP HB2 . 11594 2 610 . 2 2 51 51 ASP HB3 H 1 2.9410 0.0000 . 1 . . . B 49 ASP HB3 . 11594 2 611 . 2 2 51 51 ASP C C 13 175.7380 0.0000 . 1 . . . B 49 ASP C . 11594 2 612 . 2 2 51 51 ASP CA C 13 54.9140 0.0000 . 1 . . . B 49 ASP CA . 11594 2 613 . 2 2 51 51 ASP CB C 13 41.5860 0.0000 . 1 . . . B 49 ASP CB . 11594 2 614 . 2 2 51 51 ASP N N 15 116.1320 0.0000 . 1 . . . B 49 ASP N . 11594 2 615 . 2 2 52 52 ILE H H 1 7.6520 0.0000 . 1 . . . B 50 ILE H . 11594 2 616 . 2 2 52 52 ILE HA H 1 3.8270 0.0000 . 1 . . . B 50 ILE HA . 11594 2 617 . 2 2 52 52 ILE HB H 1 2.0590 0.0000 . 1 . . . B 50 ILE HB . 11594 2 618 . 2 2 52 52 ILE HG12 H 1 1.9050 0.0000 . 2 . . . B 50 ILE HG12 . 11594 2 619 . 2 2 52 52 ILE HG13 H 1 0.5430 0.0000 . 2 . . . B 50 ILE HG13 . 11594 2 620 . 2 2 52 52 ILE HG21 H 1 0.7600 0.0000 . 1 . . . B 50 ILE HG21 . 11594 2 621 . 2 2 52 52 ILE HG22 H 1 0.7600 0.0000 . 1 . . . B 50 ILE HG21 . 11594 2 622 . 2 2 52 52 ILE HG23 H 1 0.7600 0.0000 . 1 . . . B 50 ILE HG21 . 11594 2 623 . 2 2 52 52 ILE HD11 H 1 0.9750 0.0000 . 1 . . . B 50 ILE HD11 . 11594 2 624 . 2 2 52 52 ILE HD12 H 1 0.9750 0.0000 . 1 . . . B 50 ILE HD11 . 11594 2 625 . 2 2 52 52 ILE HD13 H 1 0.9750 0.0000 . 1 . . . B 50 ILE HD11 . 11594 2 626 . 2 2 52 52 ILE C C 13 172.9210 0.0000 . 1 . . . B 50 ILE C . 11594 2 627 . 2 2 52 52 ILE CA C 13 61.8680 0.0000 . 1 . . . B 50 ILE CA . 11594 2 628 . 2 2 52 52 ILE CB C 13 39.2680 0.0000 . 1 . . . B 50 ILE CB . 11594 2 629 . 2 2 52 52 ILE CG1 C 13 27.0980 0.0000 . 1 . . . B 50 ILE CG1 . 11594 2 630 . 2 2 52 52 ILE CG2 C 13 18.4060 0.0000 . 1 . . . B 50 ILE CG2 . 11594 2 631 . 2 2 52 52 ILE CD1 C 13 15.5080 0.0000 . 1 . . . B 50 ILE CD1 . 11594 2 632 . 2 2 52 52 ILE N N 15 125.2730 0.0000 . 1 . . . B 50 ILE N . 11594 2 633 . 2 2 53 53 LYS H H 1 9.1440 0.0000 . 1 . . . B 51 LYS H . 11594 2 634 . 2 2 53 53 LYS HA H 1 3.6640 0.0000 . 1 . . . B 51 LYS HA . 11594 2 635 . 2 2 53 53 LYS HB2 H 1 1.2770 0.0000 . 1 . . . B 51 LYS HB2 . 11594 2 636 . 2 2 53 53 LYS HB3 H 1 0.8160 0.0000 . 1 . . . B 51 LYS HB3 . 11594 2 637 . 2 2 53 53 LYS HG2 H 1 1.3450 0.0000 . 2 . . . B 51 LYS HG2 . 11594 2 638 . 2 2 53 53 LYS HG3 H 1 1.1410 0.0000 . 2 . . . B 51 LYS HG3 . 11594 2 639 . 2 2 53 53 LYS HD2 H 1 1.6940 0.0000 . 2 . . . B 51 LYS HD2 . 11594 2 640 . 2 2 53 53 LYS HD3 H 1 1.5470 0.0000 . 2 . . . B 51 LYS HD3 . 11594 2 641 . 2 2 53 53 LYS HE2 H 1 2.9630 0.0000 . 2 . . . B 51 LYS HE2 . 11594 2 642 . 2 2 53 53 LYS C C 13 176.6580 0.0000 . 1 . . . B 51 LYS C . 11594 2 643 . 2 2 53 53 LYS CA C 13 58.3910 0.0000 . 1 . . . B 51 LYS CA . 11594 2 644 . 2 2 53 53 LYS CB C 13 34.0520 0.0000 . 1 . . . B 51 LYS CB . 11594 2 645 . 2 2 53 53 LYS CG C 13 24.7800 0.0000 . 1 . . . B 51 LYS CG . 11594 2 646 . 2 2 53 53 LYS CD C 13 29.4160 0.0000 . 1 . . . B 51 LYS CD . 11594 2 647 . 2 2 53 53 LYS CE C 13 41.5860 0.0000 . 1 . . . B 51 LYS CE . 11594 2 648 . 2 2 53 53 LYS N N 15 129.1960 0.0000 . 1 . . . B 51 LYS N . 11594 2 649 . 2 2 54 54 CYS H H 1 7.8080 0.0000 . 1 . . . B 52 CYS H . 11594 2 650 . 2 2 54 54 CYS HA H 1 4.7390 0.0000 . 1 . . . B 52 CYS HA . 11594 2 651 . 2 2 54 54 CYS HB2 H 1 3.2030 0.0000 . 2 . . . B 52 CYS HB2 . 11594 2 652 . 2 2 54 54 CYS C C 13 170.0130 0.0000 . 1 . . . B 52 CYS C . 11594 2 653 . 2 2 54 54 CYS CA C 13 55.4930 0.0000 . 1 . . . B 52 CYS CA . 11594 2 654 . 2 2 54 54 CYS CB C 13 29.9960 0.0000 . 1 . . . B 52 CYS CB . 11594 2 655 . 2 2 54 54 CYS N N 15 110.9760 0.0000 . 1 . . . B 52 CYS N . 11594 2 656 . 2 2 55 55 GLN H H 1 8.4120 0.0000 . 1 . . . B 53 GLN H . 11594 2 657 . 2 2 55 55 GLN HA H 1 5.7940 0.0000 . 1 . . . B 53 GLN HA . 11594 2 658 . 2 2 55 55 GLN HB2 H 1 2.2980 0.0000 . 1 . . . B 53 GLN HB2 . 11594 2 659 . 2 2 55 55 GLN HB3 H 1 1.6030 0.0000 . 1 . . . B 53 GLN HB3 . 11594 2 660 . 2 2 55 55 GLN HG2 H 1 2.2700 0.0000 . 2 . . . B 53 GLN HG2 . 11594 2 661 . 2 2 55 55 GLN HG3 H 1 2.1480 0.0000 . 2 . . . B 53 GLN HG3 . 11594 2 662 . 2 2 55 55 GLN HE21 H 1 6.9770 0.0000 . 2 . . . B 53 GLN HE21 . 11594 2 663 . 2 2 55 55 GLN HE22 H 1 6.5950 0.0000 . 2 . . . B 53 GLN HE22 . 11594 2 664 . 2 2 55 55 GLN C C 13 174.5450 0.0000 . 1 . . . B 53 GLN C . 11594 2 665 . 2 2 55 55 GLN CA C 13 52.5960 0.0000 . 1 . . . B 53 GLN CA . 11594 2 666 . 2 2 55 55 GLN CB C 13 31.7340 0.0000 . 1 . . . B 53 GLN CB . 11594 2 667 . 2 2 55 55 GLN CG C 13 31.7340 0.0000 . 1 . . . B 53 GLN CG . 11594 2 668 . 2 2 55 55 GLN N N 15 116.5880 0.0000 . 1 . . . B 53 GLN N . 11594 2 669 . 2 2 55 55 GLN NE2 N 15 104.6090 0.0000 . 1 . . . B 53 GLN NE2 . 11594 2 670 . 2 2 56 56 LYS H H 1 9.3550 0.0000 . 1 . . . B 54 LYS H . 11594 2 671 . 2 2 56 56 LYS HA H 1 5.2850 0.0000 . 1 . . . B 54 LYS HA . 11594 2 672 . 2 2 56 56 LYS HB2 H 1 1.8470 0.0000 . 1 . . . B 54 LYS HB2 . 11594 2 673 . 2 2 56 56 LYS HB3 H 1 1.4610 0.0000 . 1 . . . B 54 LYS HB3 . 11594 2 674 . 2 2 56 56 LYS HG2 H 1 1.2020 0.0000 . 2 . . . B 54 LYS HG2 . 11594 2 675 . 2 2 56 56 LYS HG3 H 1 1.1670 0.0000 . 2 . . . B 54 LYS HG3 . 11594 2 676 . 2 2 56 56 LYS HD2 H 1 1.5330 0.0000 . 2 . . . B 54 LYS HD2 . 11594 2 677 . 2 2 56 56 LYS HD3 H 1 1.3460 0.0000 . 2 . . . B 54 LYS HD3 . 11594 2 678 . 2 2 56 56 LYS HE2 H 1 2.7510 0.0000 . 2 . . . B 54 LYS HE2 . 11594 2 679 . 2 2 56 56 LYS HE3 H 1 2.6040 0.0000 . 2 . . . B 54 LYS HE3 . 11594 2 680 . 2 2 56 56 LYS C C 13 175.1410 0.0000 . 1 . . . B 54 LYS C . 11594 2 681 . 2 2 56 56 LYS CA C 13 54.3340 0.0000 . 1 . . . B 54 LYS CA . 11594 2 682 . 2 2 56 56 LYS CB C 13 37.5290 0.0000 . 1 . . . B 54 LYS CB . 11594 2 683 . 2 2 56 56 LYS CG C 13 25.9390 0.0000 . 1 . . . B 54 LYS CG . 11594 2 684 . 2 2 56 56 LYS CD C 13 29.4160 0.0000 . 1 . . . B 54 LYS CD . 11594 2 685 . 2 2 56 56 LYS CE C 13 42.1650 0.0000 . 1 . . . B 54 LYS CE . 11594 2 686 . 2 2 56 56 LYS N N 15 119.6320 0.0000 . 1 . . . B 54 LYS N . 11594 2 687 . 2 2 57 57 ILE H H 1 9.1470 0.0000 . 1 . . . B 55 ILE H . 11594 2 688 . 2 2 57 57 ILE HA H 1 5.5370 0.0000 . 1 . . . B 55 ILE HA . 11594 2 689 . 2 2 57 57 ILE HB H 1 2.1630 0.0000 . 1 . . . B 55 ILE HB . 11594 2 690 . 2 2 57 57 ILE HG12 H 1 1.4870 0.0000 . 2 . . . B 55 ILE HG12 . 11594 2 691 . 2 2 57 57 ILE HG13 H 1 1.0770 0.0000 . 2 . . . B 55 ILE HG13 . 11594 2 692 . 2 2 57 57 ILE HG21 H 1 0.9400 0.0000 . 1 . . . B 55 ILE HG21 . 11594 2 693 . 2 2 57 57 ILE HG22 H 1 0.9400 0.0000 . 1 . . . B 55 ILE HG21 . 11594 2 694 . 2 2 57 57 ILE HG23 H 1 0.9400 0.0000 . 1 . . . B 55 ILE HG21 . 11594 2 695 . 2 2 57 57 ILE HD11 H 1 0.8440 0.0000 . 1 . . . B 55 ILE HD11 . 11594 2 696 . 2 2 57 57 ILE HD12 H 1 0.8440 0.0000 . 1 . . . B 55 ILE HD11 . 11594 2 697 . 2 2 57 57 ILE HD13 H 1 0.8440 0.0000 . 1 . . . B 55 ILE HD11 . 11594 2 698 . 2 2 57 57 ILE C C 13 175.5480 0.0000 . 1 . . . B 55 ILE C . 11594 2 699 . 2 2 57 57 ILE CA C 13 59.5500 0.0000 . 1 . . . B 55 ILE CA . 11594 2 700 . 2 2 57 57 ILE CB C 13 42.1650 0.0000 . 1 . . . B 55 ILE CB . 11594 2 701 . 2 2 57 57 ILE CG1 C 13 24.7800 0.0000 . 1 . . . B 55 ILE CG1 . 11594 2 702 . 2 2 57 57 ILE CG2 C 13 18.4060 0.0000 . 1 . . . B 55 ILE CG2 . 11594 2 703 . 2 2 57 57 ILE CD1 C 13 13.7700 0.0000 . 1 . . . B 55 ILE CD1 . 11594 2 704 . 2 2 57 57 ILE N N 15 113.2460 0.0000 . 1 . . . B 55 ILE N . 11594 2 705 . 2 2 58 58 SER H H 1 7.9130 0.0000 . 1 . . . B 56 SER H . 11594 2 706 . 2 2 58 58 SER HA H 1 4.3280 0.0000 . 1 . . . B 56 SER HA . 11594 2 707 . 2 2 58 58 SER HB2 H 1 3.4330 0.0000 . 1 . . . B 56 SER HB2 . 11594 2 708 . 2 2 58 58 SER HB3 H 1 3.8910 0.0000 . 1 . . . B 56 SER HB3 . 11594 2 709 . 2 2 58 58 SER C C 13 172.7760 0.0000 . 1 . . . B 56 SER C . 11594 2 710 . 2 2 58 58 SER CA C 13 56.0730 0.0000 . 1 . . . B 56 SER CA . 11594 2 711 . 2 2 58 58 SER CB C 13 61.8680 0.0000 . 1 . . . B 56 SER CB . 11594 2 712 . 2 2 58 58 SER N N 15 119.8070 0.0000 . 1 . . . B 56 SER N . 11594 2 713 . 2 2 59 59 PRO HA H 1 4.5250 0.0000 . 1 . . . B 57 PRO HA . 11594 2 714 . 2 2 59 59 PRO HB2 H 1 1.9820 0.0000 . 2 . . . B 57 PRO HB2 . 11594 2 715 . 2 2 59 59 PRO HB3 H 1 2.3320 0.0000 . 2 . . . B 57 PRO HB3 . 11594 2 716 . 2 2 59 59 PRO HG2 H 1 1.9250 0.0000 . 2 . . . B 57 PRO HG2 . 11594 2 717 . 2 2 59 59 PRO HG3 H 1 1.7970 0.0000 . 2 . . . B 57 PRO HG3 . 11594 2 718 . 2 2 59 59 PRO HD2 H 1 3.5580 0.0000 . 2 . . . B 57 PRO HD2 . 11594 2 719 . 2 2 59 59 PRO HD3 H 1 3.1990 0.0000 . 2 . . . B 57 PRO HD3 . 11594 2 720 . 2 2 59 59 PRO C C 13 177.3530 0.0000 . 1 . . . B 57 PRO C . 11594 2 721 . 2 2 59 59 PRO CA C 13 62.4470 0.0000 . 1 . . . B 57 PRO CA . 11594 2 722 . 2 2 59 59 PRO CB C 13 32.8930 0.0000 . 1 . . . B 57 PRO CB . 11594 2 723 . 2 2 59 59 PRO CG C 13 27.6780 0.0000 . 1 . . . B 57 PRO CG . 11594 2 724 . 2 2 59 59 PRO CD C 13 50.8570 0.0000 . 1 . . . B 57 PRO CD . 11594 2 725 . 2 2 60 60 GLU H H 1 8.8920 0.0000 . 1 . . . B 58 GLU H . 11594 2 726 . 2 2 60 60 GLU HA H 1 4.1040 0.0000 . 1 . . . B 58 GLU HA . 11594 2 727 . 2 2 60 60 GLU HB2 H 1 2.0510 0.0000 . 2 . . . B 58 GLU HB2 . 11594 2 728 . 2 2 60 60 GLU HB3 H 1 1.9720 0.0000 . 2 . . . B 58 GLU HB3 . 11594 2 729 . 2 2 60 60 GLU HG2 H 1 2.2930 0.0000 . 2 . . . B 58 GLU HG2 . 11594 2 730 . 2 2 60 60 GLU C C 13 177.3000 0.0000 . 1 . . . B 58 GLU C . 11594 2 731 . 2 2 60 60 GLU CA C 13 58.3910 0.0000 . 1 . . . B 58 GLU CA . 11594 2 732 . 2 2 60 60 GLU CB C 13 29.4160 0.0000 . 1 . . . B 58 GLU CB . 11594 2 733 . 2 2 60 60 GLU CG C 13 35.7910 0.0000 . 1 . . . B 58 GLU CG . 11594 2 734 . 2 2 60 60 GLU N N 15 124.6380 0.0000 . 1 . . . B 58 GLU N . 11594 2 735 . 2 2 61 61 GLY H H 1 8.6590 0.0000 . 1 . . . B 59 GLY H . 11594 2 736 . 2 2 61 61 GLY HA2 H 1 4.2400 0.0000 . 2 . . . B 59 GLY HA2 . 11594 2 737 . 2 2 61 61 GLY HA3 H 1 3.7100 0.0000 . 2 . . . B 59 GLY HA3 . 11594 2 738 . 2 2 61 61 GLY C C 13 174.5650 0.0000 . 1 . . . B 59 GLY C . 11594 2 739 . 2 2 61 61 GLY CA C 13 45.0620 0.0000 . 1 . . . B 59 GLY CA . 11594 2 740 . 2 2 61 61 GLY N N 15 112.5980 0.0000 . 1 . . . B 59 GLY N . 11594 2 741 . 2 2 62 62 LYS H H 1 7.2110 0.0000 . 1 . . . B 60 LYS H . 11594 2 742 . 2 2 62 62 LYS HA H 1 4.4590 0.0000 . 1 . . . B 60 LYS HA . 11594 2 743 . 2 2 62 62 LYS HB2 H 1 1.9050 0.0000 . 1 . . . B 60 LYS HB2 . 11594 2 744 . 2 2 62 62 LYS HB3 H 1 1.7750 0.0000 . 1 . . . B 60 LYS HB3 . 11594 2 745 . 2 2 62 62 LYS HG2 H 1 1.4160 0.0000 . 2 . . . B 60 LYS HG2 . 11594 2 746 . 2 2 62 62 LYS HG3 H 1 1.3700 0.0000 . 2 . . . B 60 LYS HG3 . 11594 2 747 . 2 2 62 62 LYS HD2 H 1 1.6120 0.0000 . 2 . . . B 60 LYS HD2 . 11594 2 748 . 2 2 62 62 LYS HD3 H 1 1.5760 0.0000 . 2 . . . B 60 LYS HD3 . 11594 2 749 . 2 2 62 62 LYS HE2 H 1 2.8740 0.0000 . 2 . . . B 60 LYS HE2 . 11594 2 750 . 2 2 62 62 LYS C C 13 176.8740 0.0000 . 1 . . . B 60 LYS C . 11594 2 751 . 2 2 62 62 LYS CA C 13 54.3340 0.0000 . 1 . . . B 60 LYS CA . 11594 2 752 . 2 2 62 62 LYS CB C 13 31.7340 0.0000 . 1 . . . B 60 LYS CB . 11594 2 753 . 2 2 62 62 LYS CG C 13 24.7800 0.0000 . 1 . . . B 60 LYS CG . 11594 2 754 . 2 2 62 62 LYS CD C 13 27.6780 0.0000 . 1 . . . B 60 LYS CD . 11594 2 755 . 2 2 62 62 LYS CE C 13 41.5860 0.0000 . 1 . . . B 60 LYS CE . 11594 2 756 . 2 2 62 62 LYS N N 15 120.5250 0.0000 . 1 . . . B 60 LYS N . 11594 2 757 . 2 2 63 63 ALA H H 1 8.6220 0.0000 . 1 . . . B 61 ALA H . 11594 2 758 . 2 2 63 63 ALA HA H 1 4.0410 0.0000 . 1 . . . B 61 ALA HA . 11594 2 759 . 2 2 63 63 ALA HB1 H 1 1.4240 0.0000 . 1 . . . B 61 ALA HB1 . 11594 2 760 . 2 2 63 63 ALA HB2 H 1 1.4240 0.0000 . 1 . . . B 61 ALA HB1 . 11594 2 761 . 2 2 63 63 ALA HB3 H 1 1.4240 0.0000 . 1 . . . B 61 ALA HB1 . 11594 2 762 . 2 2 63 63 ALA C C 13 177.9760 0.0000 . 1 . . . B 61 ALA C . 11594 2 763 . 2 2 63 63 ALA CA C 13 54.3340 0.0000 . 1 . . . B 61 ALA CA . 11594 2 764 . 2 2 63 63 ALA CB C 13 18.9850 0.0000 . 1 . . . B 61 ALA CB . 11594 2 765 . 2 2 63 63 ALA N N 15 127.5670 0.0000 . 1 . . . B 61 ALA N . 11594 2 766 . 2 2 64 64 LYS H H 1 7.6540 0.0000 . 1 . . . B 62 LYS H . 11594 2 767 . 2 2 64 64 LYS HA H 1 4.2670 0.0000 . 1 . . . B 62 LYS HA . 11594 2 768 . 2 2 64 64 LYS HB2 H 1 1.5300 0.0000 . 2 . . . B 62 LYS HB2 . 11594 2 769 . 2 2 64 64 LYS HB3 H 1 1.0770 0.0000 . 2 . . . B 62 LYS HB3 . 11594 2 770 . 2 2 64 64 LYS HG2 H 1 0.9700 0.0000 . 2 . . . B 62 LYS HG2 . 11594 2 771 . 2 2 64 64 LYS HG3 H 1 0.7580 0.0000 . 2 . . . B 62 LYS HG3 . 11594 2 772 . 2 2 64 64 LYS HD2 H 1 1.2140 0.0000 . 2 . . . B 62 LYS HD2 . 11594 2 773 . 2 2 64 64 LYS HD3 H 1 1.1140 0.0000 . 2 . . . B 62 LYS HD3 . 11594 2 774 . 2 2 64 64 LYS HE2 H 1 2.5250 0.0000 . 2 . . . B 62 LYS HE2 . 11594 2 775 . 2 2 64 64 LYS HE3 H 1 2.4900 0.0000 . 2 . . . B 62 LYS HE3 . 11594 2 776 . 2 2 64 64 LYS C C 13 174.7730 0.0000 . 1 . . . B 62 LYS C . 11594 2 777 . 2 2 64 64 LYS CA C 13 55.4930 0.0000 . 1 . . . B 62 LYS CA . 11594 2 778 . 2 2 64 64 LYS CB C 13 32.8930 0.0000 . 1 . . . B 62 LYS CB . 11594 2 779 . 2 2 64 64 LYS CG C 13 24.7800 0.0000 . 1 . . . B 62 LYS CG . 11594 2 780 . 2 2 64 64 LYS CD C 13 29.4160 0.0000 . 1 . . . B 62 LYS CD . 11594 2 781 . 2 2 64 64 LYS CE C 13 41.0060 0.0000 . 1 . . . B 62 LYS CE . 11594 2 782 . 2 2 64 64 LYS N N 15 117.4770 0.0000 . 1 . . . B 62 LYS N . 11594 2 783 . 2 2 65 65 ILE H H 1 9.0300 0.0000 . 1 . . . B 63 ILE H . 11594 2 784 . 2 2 65 65 ILE HA H 1 3.9740 0.0000 . 1 . . . B 63 ILE HA . 11594 2 785 . 2 2 65 65 ILE HB H 1 2.5670 0.0000 . 1 . . . B 63 ILE HB . 11594 2 786 . 2 2 65 65 ILE HG12 H 1 1.7510 0.0000 . 2 . . . B 63 ILE HG12 . 11594 2 787 . 2 2 65 65 ILE HG13 H 1 1.4490 0.0000 . 2 . . . B 63 ILE HG13 . 11594 2 788 . 2 2 65 65 ILE HG21 H 1 0.7750 0.0000 . 1 . . . B 63 ILE HG21 . 11594 2 789 . 2 2 65 65 ILE HG22 H 1 0.7750 0.0000 . 1 . . . B 63 ILE HG21 . 11594 2 790 . 2 2 65 65 ILE HG23 H 1 0.7750 0.0000 . 1 . . . B 63 ILE HG21 . 11594 2 791 . 2 2 65 65 ILE HD11 H 1 0.8040 0.0000 . 1 . . . B 63 ILE HD11 . 11594 2 792 . 2 2 65 65 ILE HD12 H 1 0.8040 0.0000 . 1 . . . B 63 ILE HD11 . 11594 2 793 . 2 2 65 65 ILE HD13 H 1 0.8040 0.0000 . 1 . . . B 63 ILE HD11 . 11594 2 794 . 2 2 65 65 ILE C C 13 176.5610 0.0000 . 1 . . . B 63 ILE C . 11594 2 795 . 2 2 65 65 ILE CA C 13 60.1290 0.0000 . 1 . . . B 63 ILE CA . 11594 2 796 . 2 2 65 65 ILE CB C 13 35.2110 0.0000 . 1 . . . B 63 ILE CB . 11594 2 797 . 2 2 65 65 ILE CG1 C 13 26.5190 0.0000 . 1 . . . B 63 ILE CG1 . 11594 2 798 . 2 2 65 65 ILE CG2 C 13 17.8260 0.0000 . 1 . . . B 63 ILE CG2 . 11594 2 799 . 2 2 65 65 ILE CD1 C 13 10.8720 0.0000 . 1 . . . B 63 ILE CD1 . 11594 2 800 . 2 2 65 65 ILE N N 15 128.4410 0.0000 . 1 . . . B 63 ILE N . 11594 2 801 . 2 2 66 66 GLN H H 1 9.0410 0.0000 . 1 . . . B 64 GLN H . 11594 2 802 . 2 2 66 66 GLN HA H 1 6.4420 0.0000 . 1 . . . B 64 GLN HA . 11594 2 803 . 2 2 66 66 GLN HB2 H 1 2.6320 0.0000 . 1 . . . B 64 GLN HB2 . 11594 2 804 . 2 2 66 66 GLN HB3 H 1 2.0700 0.0000 . 1 . . . B 64 GLN HB3 . 11594 2 805 . 2 2 66 66 GLN HG2 H 1 2.1970 0.0000 . 2 . . . B 64 GLN HG2 . 11594 2 806 . 2 2 66 66 GLN HG3 H 1 2.0120 0.0000 . 2 . . . B 64 GLN HG3 . 11594 2 807 . 2 2 66 66 GLN HE21 H 1 7.4890 0.0000 . 2 . . . B 64 GLN HE21 . 11594 2 808 . 2 2 66 66 GLN HE22 H 1 6.8990 0.0000 . 2 . . . B 64 GLN HE22 . 11594 2 809 . 2 2 66 66 GLN C C 13 175.4870 0.0000 . 1 . . . B 64 GLN C . 11594 2 810 . 2 2 66 66 GLN CA C 13 54.9140 0.0000 . 1 . . . B 64 GLN CA . 11594 2 811 . 2 2 66 66 GLN CB C 13 38.1090 0.0000 . 1 . . . B 64 GLN CB . 11594 2 812 . 2 2 66 66 GLN CG C 13 35.7910 0.0000 . 1 . . . B 64 GLN CG . 11594 2 813 . 2 2 66 66 GLN N N 15 126.0570 0.0000 . 1 . . . B 64 GLN N . 11594 2 814 . 2 2 66 66 GLN NE2 N 15 112.4310 0.0000 . 1 . . . B 64 GLN NE2 . 11594 2 815 . 2 2 67 67 LEU H H 1 9.4130 0.0000 . 1 . . . B 65 LEU H . 11594 2 816 . 2 2 67 67 LEU HA H 1 5.3840 0.0000 . 1 . . . B 65 LEU HA . 11594 2 817 . 2 2 67 67 LEU HB2 H 1 2.1150 0.0000 . 1 . . . B 65 LEU HB2 . 11594 2 818 . 2 2 67 67 LEU HB3 H 1 1.7960 0.0000 . 1 . . . B 65 LEU HB3 . 11594 2 819 . 2 2 67 67 LEU HG H 1 2.0180 0.0000 . 1 . . . B 65 LEU HG . 11594 2 820 . 2 2 67 67 LEU HD11 H 1 1.1970 0.0000 . 1 . . . B 65 LEU HD11 . 11594 2 821 . 2 2 67 67 LEU HD12 H 1 1.1970 0.0000 . 1 . . . B 65 LEU HD11 . 11594 2 822 . 2 2 67 67 LEU HD13 H 1 1.1970 0.0000 . 1 . . . B 65 LEU HD11 . 11594 2 823 . 2 2 67 67 LEU HD21 H 1 1.0470 0.0000 . 1 . . . B 65 LEU HD21 . 11594 2 824 . 2 2 67 67 LEU HD22 H 1 1.0470 0.0000 . 1 . . . B 65 LEU HD21 . 11594 2 825 . 2 2 67 67 LEU HD23 H 1 1.0470 0.0000 . 1 . . . B 65 LEU HD21 . 11594 2 826 . 2 2 67 67 LEU C C 13 172.4590 0.0000 . 1 . . . B 65 LEU C . 11594 2 827 . 2 2 67 67 LEU CA C 13 55.4930 0.0000 . 1 . . . B 65 LEU CA . 11594 2 828 . 2 2 67 67 LEU CB C 13 50.2780 0.0000 . 1 . . . B 65 LEU CB . 11594 2 829 . 2 2 67 67 LEU CG C 13 27.6780 0.0000 . 1 . . . B 65 LEU CG . 11594 2 830 . 2 2 67 67 LEU CD1 C 13 25.9390 0.0000 . 1 . . . B 65 LEU CD1 . 11594 2 831 . 2 2 67 67 LEU CD2 C 13 25.9390 0.0000 . 1 . . . B 65 LEU CD2 . 11594 2 832 . 2 2 67 67 LEU N N 15 127.0080 0.0000 . 1 . . . B 65 LEU N . 11594 2 833 . 2 2 68 68 GLN H H 1 9.6690 0.0000 . 1 . . . B 66 GLN H . 11594 2 834 . 2 2 68 68 GLN HA H 1 5.1750 0.0000 . 1 . . . B 66 GLN HA . 11594 2 835 . 2 2 68 68 GLN HB2 H 1 0.3560 0.0000 . 1 . . . B 66 GLN HB2 . 11594 2 836 . 2 2 68 68 GLN HB3 H 1 0.8630 0.0000 . 1 . . . B 66 GLN HB3 . 11594 2 837 . 2 2 68 68 GLN HG2 H 1 1.8410 0.0000 . 2 . . . B 66 GLN HG2 . 11594 2 838 . 2 2 68 68 GLN HG3 H 1 1.0200 0.0000 . 2 . . . B 66 GLN HG3 . 11594 2 839 . 2 2 68 68 GLN HE22 H 1 7.0830 0.0000 . 2 . . . B 66 GLN HE22 . 11594 2 840 . 2 2 68 68 GLN C C 13 174.5890 0.0000 . 1 . . . B 66 GLN C . 11594 2 841 . 2 2 68 68 GLN CA C 13 53.7550 0.0000 . 1 . . . B 66 GLN CA . 11594 2 842 . 2 2 68 68 GLN CB C 13 33.4730 0.0000 . 1 . . . B 66 GLN CB . 11594 2 843 . 2 2 68 68 GLN CG C 13 35.2110 0.0000 . 1 . . . B 66 GLN CG . 11594 2 844 . 2 2 68 68 GLN N N 15 107.5970 0.0000 . 1 . . . B 66 GLN N . 11594 2 845 . 2 2 68 68 GLN NE2 N 15 107.6010 0.0000 . 1 . . . B 66 GLN NE2 . 11594 2 846 . 2 2 69 69 LEU H H 1 8.9110 0.0000 . 1 . . . B 67 LEU H . 11594 2 847 . 2 2 69 69 LEU HA H 1 4.8540 0.0000 . 1 . . . B 67 LEU HA . 11594 2 848 . 2 2 69 69 LEU HB2 H 1 1.0880 0.0000 . 1 . . . B 67 LEU HB2 . 11594 2 849 . 2 2 69 69 LEU HB3 H 1 1.7150 0.0000 . 1 . . . B 67 LEU HB3 . 11594 2 850 . 2 2 69 69 LEU HG H 1 1.8610 0.0000 . 1 . . . B 67 LEU HG . 11594 2 851 . 2 2 69 69 LEU HD11 H 1 1.1520 0.0000 . 1 . . . B 67 LEU HD11 . 11594 2 852 . 2 2 69 69 LEU HD12 H 1 1.1520 0.0000 . 1 . . . B 67 LEU HD11 . 11594 2 853 . 2 2 69 69 LEU HD13 H 1 1.1520 0.0000 . 1 . . . B 67 LEU HD11 . 11594 2 854 . 2 2 69 69 LEU HD21 H 1 1.0000 0.0000 . 1 . . . B 67 LEU HD21 . 11594 2 855 . 2 2 69 69 LEU HD22 H 1 1.0000 0.0000 . 1 . . . B 67 LEU HD21 . 11594 2 856 . 2 2 69 69 LEU HD23 H 1 1.0000 0.0000 . 1 . . . B 67 LEU HD21 . 11594 2 857 . 2 2 69 69 LEU C C 13 174.9290 0.0000 . 1 . . . B 67 LEU C . 11594 2 858 . 2 2 69 69 LEU CA C 13 52.5960 0.0000 . 1 . . . B 67 LEU CA . 11594 2 859 . 2 2 69 69 LEU CB C 13 43.3240 0.0000 . 1 . . . B 67 LEU CB . 11594 2 860 . 2 2 69 69 LEU CG C 13 26.5190 0.0000 . 1 . . . B 67 LEU CG . 11594 2 861 . 2 2 69 69 LEU CD1 C 13 27.6780 0.0000 . 1 . . . B 67 LEU CD1 . 11594 2 862 . 2 2 69 69 LEU CD2 C 13 23.6210 0.0000 . 1 . . . B 67 LEU CD2 . 11594 2 863 . 2 2 69 69 LEU N N 15 124.8280 0.0000 . 1 . . . B 67 LEU N . 11594 2 864 . 2 2 70 70 VAL H H 1 8.3160 0.0000 . 1 . . . B 68 VAL H . 11594 2 865 . 2 2 70 70 VAL HA H 1 4.2290 0.0000 . 1 . . . B 68 VAL HA . 11594 2 866 . 2 2 70 70 VAL HB H 1 2.1590 0.0000 . 1 . . . B 68 VAL HB . 11594 2 867 . 2 2 70 70 VAL HG11 H 1 0.7450 0.0000 . 1 . . . B 68 VAL HG11 . 11594 2 868 . 2 2 70 70 VAL HG12 H 1 0.7450 0.0000 . 1 . . . B 68 VAL HG11 . 11594 2 869 . 2 2 70 70 VAL HG13 H 1 0.7450 0.0000 . 1 . . . B 68 VAL HG11 . 11594 2 870 . 2 2 70 70 VAL HG21 H 1 0.5670 0.0000 . 1 . . . B 68 VAL HG21 . 11594 2 871 . 2 2 70 70 VAL HG22 H 1 0.5670 0.0000 . 1 . . . B 68 VAL HG21 . 11594 2 872 . 2 2 70 70 VAL HG23 H 1 0.5670 0.0000 . 1 . . . B 68 VAL HG21 . 11594 2 873 . 2 2 70 70 VAL C C 13 175.6950 0.0000 . 1 . . . B 68 VAL C . 11594 2 874 . 2 2 70 70 VAL CA C 13 61.2880 0.0000 . 1 . . . B 68 VAL CA . 11594 2 875 . 2 2 70 70 VAL CB C 13 32.3140 0.0000 . 1 . . . B 68 VAL CB . 11594 2 876 . 2 2 70 70 VAL CG1 C 13 20.7230 0.0000 . 1 . . . B 68 VAL CG1 . 11594 2 877 . 2 2 70 70 VAL CG2 C 13 21.3030 0.0000 . 1 . . . B 68 VAL CG2 . 11594 2 878 . 2 2 70 70 VAL N N 15 123.4630 0.0000 . 1 . . . B 68 VAL N . 11594 2 879 . 2 2 71 71 LEU H H 1 8.7270 0.0000 . 1 . . . B 69 LEU H . 11594 2 880 . 2 2 71 71 LEU HA H 1 4.6590 0.0000 . 1 . . . B 69 LEU HA . 11594 2 881 . 2 2 71 71 LEU HB2 H 1 1.9030 0.0000 . 1 . . . B 69 LEU HB2 . 11594 2 882 . 2 2 71 71 LEU HB3 H 1 1.7940 0.0000 . 1 . . . B 69 LEU HB3 . 11594 2 883 . 2 2 71 71 LEU HG H 1 1.4410 0.0000 . 1 . . . B 69 LEU HG . 11594 2 884 . 2 2 71 71 LEU HD11 H 1 0.4760 0.0000 . 1 . . . B 69 LEU HD11 . 11594 2 885 . 2 2 71 71 LEU HD12 H 1 0.4760 0.0000 . 1 . . . B 69 LEU HD11 . 11594 2 886 . 2 2 71 71 LEU HD13 H 1 0.4760 0.0000 . 1 . . . B 69 LEU HD11 . 11594 2 887 . 2 2 71 71 LEU HD21 H 1 0.1790 0.0000 . 1 . . . B 69 LEU HD21 . 11594 2 888 . 2 2 71 71 LEU HD22 H 1 0.1790 0.0000 . 1 . . . B 69 LEU HD21 . 11594 2 889 . 2 2 71 71 LEU HD23 H 1 0.1790 0.0000 . 1 . . . B 69 LEU HD21 . 11594 2 890 . 2 2 71 71 LEU C C 13 179.1640 0.0000 . 1 . . . B 69 LEU C . 11594 2 891 . 2 2 71 71 LEU CA C 13 54.3340 0.0000 . 1 . . . B 69 LEU CA . 11594 2 892 . 2 2 71 71 LEU CB C 13 39.8470 0.0000 . 1 . . . B 69 LEU CB . 11594 2 893 . 2 2 71 71 LEU CG C 13 27.6780 0.0000 . 1 . . . B 69 LEU CG . 11594 2 894 . 2 2 71 71 LEU CD1 C 13 24.7800 0.0000 . 1 . . . B 69 LEU CD1 . 11594 2 895 . 2 2 71 71 LEU CD2 C 13 22.4620 0.0000 . 1 . . . B 69 LEU CD2 . 11594 2 896 . 2 2 71 71 LEU N N 15 129.0450 0.0000 . 1 . . . B 69 LEU N . 11594 2 897 . 2 2 72 72 HIS H H 1 8.1570 0.0000 . 1 . . . B 70 HIS H . 11594 2 898 . 2 2 72 72 HIS HA H 1 4.2440 0.0000 . 1 . . . B 70 HIS HA . 11594 2 899 . 2 2 72 72 HIS HB2 H 1 3.0910 0.0000 . 2 . . . B 70 HIS HB2 . 11594 2 900 . 2 2 72 72 HIS HB3 H 1 3.0120 0.0000 . 2 . . . B 70 HIS HB3 . 11594 2 901 . 2 2 72 72 HIS HD2 H 1 7.0040 0.0000 . 1 . . . B 70 HIS HD2 . 11594 2 902 . 2 2 72 72 HIS HE1 H 1 7.8870 0.0000 . 1 . . . B 70 HIS HE1 . 11594 2 903 . 2 2 72 72 HIS C C 13 177.6270 0.0000 . 1 . . . B 70 HIS C . 11594 2 904 . 2 2 72 72 HIS CA C 13 60.7090 0.0000 . 1 . . . B 70 HIS CA . 11594 2 905 . 2 2 72 72 HIS CB C 13 30.5750 0.0000 . 1 . . . B 70 HIS CB . 11594 2 906 . 2 2 72 72 HIS CD2 C 13 118.0780 0.0000 . 1 . . . B 70 HIS CD2 . 11594 2 907 . 2 2 72 72 HIS N N 15 123.0500 0.0000 . 1 . . . B 70 HIS N . 11594 2 908 . 2 2 73 73 ALA H H 1 8.4810 0.0000 . 1 . . . B 71 ALA H . 11594 2 909 . 2 2 73 73 ALA HA H 1 4.3220 0.0000 . 1 . . . B 71 ALA HA . 11594 2 910 . 2 2 73 73 ALA HB1 H 1 1.5190 0.0000 . 1 . . . B 71 ALA HB1 . 11594 2 911 . 2 2 73 73 ALA HB2 H 1 1.5190 0.0000 . 1 . . . B 71 ALA HB1 . 11594 2 912 . 2 2 73 73 ALA HB3 H 1 1.5190 0.0000 . 1 . . . B 71 ALA HB1 . 11594 2 913 . 2 2 73 73 ALA C C 13 178.1570 0.0000 . 1 . . . B 71 ALA C . 11594 2 914 . 2 2 73 73 ALA CA C 13 53.1750 0.0000 . 1 . . . B 71 ALA CA . 11594 2 915 . 2 2 73 73 ALA CB C 13 18.9850 0.0000 . 1 . . . B 71 ALA CB . 11594 2 916 . 2 2 73 73 ALA N N 15 118.9360 0.0000 . 1 . . . B 71 ALA N . 11594 2 917 . 2 2 74 74 GLY H H 1 7.6830 0.0000 . 1 . . . B 72 GLY H . 11594 2 918 . 2 2 74 74 GLY HA2 H 1 4.4730 0.0000 . 2 . . . B 72 GLY HA2 . 11594 2 919 . 2 2 74 74 GLY HA3 H 1 3.5560 0.0000 . 2 . . . B 72 GLY HA3 . 11594 2 920 . 2 2 74 74 GLY C C 13 173.7310 0.0000 . 1 . . . B 72 GLY C . 11594 2 921 . 2 2 74 74 GLY CA C 13 45.0620 0.0000 . 1 . . . B 72 GLY CA . 11594 2 922 . 2 2 74 74 GLY N N 15 106.0860 0.0000 . 1 . . . B 72 GLY N . 11594 2 923 . 2 2 75 75 ASP H H 1 7.7730 0.0000 . 1 . . . B 73 ASP H . 11594 2 924 . 2 2 75 75 ASP HA H 1 4.6310 0.0000 . 1 . . . B 73 ASP HA . 11594 2 925 . 2 2 75 75 ASP HB2 H 1 2.6890 0.0000 . 2 . . . B 73 ASP HB2 . 11594 2 926 . 2 2 75 75 ASP HB3 H 1 2.4680 0.0000 . 2 . . . B 73 ASP HB3 . 11594 2 927 . 2 2 75 75 ASP C C 13 173.8210 0.0000 . 1 . . . B 73 ASP C . 11594 2 928 . 2 2 75 75 ASP CA C 13 53.7550 0.0000 . 1 . . . B 73 ASP CA . 11594 2 929 . 2 2 75 75 ASP CB C 13 41.5860 0.0000 . 1 . . . B 73 ASP CB . 11594 2 930 . 2 2 75 75 ASP N N 15 119.5340 0.0000 . 1 . . . B 73 ASP N . 11594 2 931 . 2 2 76 76 THR H H 1 8.0240 0.0000 . 1 . . . B 74 THR H . 11594 2 932 . 2 2 76 76 THR HA H 1 5.2550 0.0000 . 1 . . . B 74 THR HA . 11594 2 933 . 2 2 76 76 THR HB H 1 3.7520 0.0000 . 1 . . . B 74 THR HB . 11594 2 934 . 2 2 76 76 THR HG21 H 1 0.9690 0.0000 . 1 . . . B 74 THR HG21 . 11594 2 935 . 2 2 76 76 THR HG22 H 1 0.9690 0.0000 . 1 . . . B 74 THR HG21 . 11594 2 936 . 2 2 76 76 THR HG23 H 1 0.9690 0.0000 . 1 . . . B 74 THR HG21 . 11594 2 937 . 2 2 76 76 THR C C 13 174.4370 0.0000 . 1 . . . B 74 THR C . 11594 2 938 . 2 2 76 76 THR CA C 13 58.9700 0.0000 . 1 . . . B 74 THR CA . 11594 2 939 . 2 2 76 76 THR CB C 13 72.2990 0.0000 . 1 . . . B 74 THR CB . 11594 2 940 . 2 2 76 76 THR CG2 C 13 21.8830 0.0000 . 1 . . . B 74 THR CG2 . 11594 2 941 . 2 2 76 76 THR N N 15 109.6620 0.0000 . 1 . . . B 74 THR N . 11594 2 942 . 2 2 77 77 THR H H 1 8.3350 0.0000 . 1 . . . B 75 THR H . 11594 2 943 . 2 2 77 77 THR HA H 1 4.1830 0.0000 . 1 . . . B 75 THR HA . 11594 2 944 . 2 2 77 77 THR HB H 1 3.4980 0.0000 . 1 . . . B 75 THR HB . 11594 2 945 . 2 2 77 77 THR HG21 H 1 0.4870 0.0000 . 1 . . . B 75 THR HG21 . 11594 2 946 . 2 2 77 77 THR HG22 H 1 0.4870 0.0000 . 1 . . . B 75 THR HG21 . 11594 2 947 . 2 2 77 77 THR HG23 H 1 0.4870 0.0000 . 1 . . . B 75 THR HG21 . 11594 2 948 . 2 2 77 77 THR C C 13 171.7720 0.0000 . 1 . . . B 75 THR C . 11594 2 949 . 2 2 77 77 THR CA C 13 61.2880 0.0000 . 1 . . . B 75 THR CA . 11594 2 950 . 2 2 77 77 THR CB C 13 71.1400 0.0000 . 1 . . . B 75 THR CB . 11594 2 951 . 2 2 77 77 THR CG2 C 13 24.2010 0.0000 . 1 . . . B 75 THR CG2 . 11594 2 952 . 2 2 77 77 THR N N 15 119.3940 0.0000 . 1 . . . B 75 THR N . 11594 2 953 . 2 2 78 78 ASN H H 1 8.5830 0.0000 . 1 . . . B 76 ASN H . 11594 2 954 . 2 2 78 78 ASN HA H 1 5.1900 0.0000 . 1 . . . B 76 ASN HA . 11594 2 955 . 2 2 78 78 ASN HB2 H 1 2.6140 0.0000 . 1 . . . B 76 ASN HB2 . 11594 2 956 . 2 2 78 78 ASN HB3 H 1 2.7340 0.0000 . 1 . . . B 76 ASN HB3 . 11594 2 957 . 2 2 78 78 ASN HD21 H 1 7.2610 0.0000 . 2 . . . B 76 ASN HD21 . 11594 2 958 . 2 2 78 78 ASN HD22 H 1 6.8080 0.0000 . 2 . . . B 76 ASN HD22 . 11594 2 959 . 2 2 78 78 ASN C C 13 174.1920 0.0000 . 1 . . . B 76 ASN C . 11594 2 960 . 2 2 78 78 ASN CA C 13 51.4370 0.0000 . 1 . . . B 76 ASN CA . 11594 2 961 . 2 2 78 78 ASN CB C 13 39.2680 0.0000 . 1 . . . B 76 ASN CB . 11594 2 962 . 2 2 78 78 ASN N N 15 126.1660 0.0000 . 1 . . . B 76 ASN N . 11594 2 963 . 2 2 78 78 ASN ND2 N 15 110.8430 0.0000 . 1 . . . B 76 ASN ND2 . 11594 2 964 . 2 2 79 79 PHE H H 1 9.3860 0.0000 . 1 . . . B 77 PHE H . 11594 2 965 . 2 2 79 79 PHE HA H 1 5.0910 0.0000 . 1 . . . B 77 PHE HA . 11594 2 966 . 2 2 79 79 PHE HB2 H 1 2.6340 0.0000 . 1 . . . B 77 PHE HB2 . 11594 2 967 . 2 2 79 79 PHE HB3 H 1 2.8770 0.0000 . 1 . . . B 77 PHE HB3 . 11594 2 968 . 2 2 79 79 PHE HD1 H 1 6.8190 0.0000 . 3 . . . B 77 PHE HD1 . 11594 2 969 . 2 2 79 79 PHE HE1 H 1 6.7270 0.0000 . 3 . . . B 77 PHE HE1 . 11594 2 970 . 2 2 79 79 PHE HZ H 1 6.7860 0.0000 . 1 . . . B 77 PHE HZ . 11594 2 971 . 2 2 79 79 PHE C C 13 174.0540 0.0000 . 1 . . . B 77 PHE C . 11594 2 972 . 2 2 79 79 PHE CA C 13 56.6520 0.0000 . 1 . . . B 77 PHE CA . 11594 2 973 . 2 2 79 79 PHE CB C 13 42.1650 0.0000 . 1 . . . B 77 PHE CB . 11594 2 974 . 2 2 79 79 PHE CD1 C 13 131.4070 0.0000 . 3 . . . B 77 PHE CD1 . 11594 2 975 . 2 2 79 79 PHE CE1 C 13 130.8270 0.0000 . 3 . . . B 77 PHE CE1 . 11594 2 976 . 2 2 79 79 PHE CZ C 13 128.5090 0.0000 . 1 . . . B 77 PHE CZ . 11594 2 977 . 2 2 79 79 PHE N N 15 121.9770 0.0000 . 1 . . . B 77 PHE N . 11594 2 978 . 2 2 80 80 HIS H H 1 9.0910 0.0000 . 1 . . . B 78 HIS H . 11594 2 979 . 2 2 80 80 HIS HA H 1 5.5630 0.0000 . 1 . . . B 78 HIS HA . 11594 2 980 . 2 2 80 80 HIS HB2 H 1 3.2040 0.0000 . 1 . . . B 78 HIS HB2 . 11594 2 981 . 2 2 80 80 HIS HB3 H 1 3.1370 0.0000 . 1 . . . B 78 HIS HB3 . 11594 2 982 . 2 2 80 80 HIS HD2 H 1 7.2050 0.0000 . 1 . . . B 78 HIS HD2 . 11594 2 983 . 2 2 80 80 HIS HE1 H 1 6.4440 0.0000 . 1 . . . B 78 HIS HE1 . 11594 2 984 . 2 2 80 80 HIS C C 13 174.3270 0.0000 . 1 . . . B 78 HIS C . 11594 2 985 . 2 2 80 80 HIS CA C 13 52.5960 0.0000 . 1 . . . B 78 HIS CA . 11594 2 986 . 2 2 80 80 HIS CB C 13 33.4730 0.0000 . 1 . . . B 78 HIS CB . 11594 2 987 . 2 2 80 80 HIS CD2 C 13 116.3400 0.0000 . 1 . . . B 78 HIS CD2 . 11594 2 988 . 2 2 80 80 HIS CE1 C 13 129.0890 0.0000 . 1 . . . B 78 HIS CE1 . 11594 2 989 . 2 2 80 80 HIS N N 15 124.1770 0.0000 . 1 . . . B 78 HIS N . 11594 2 990 . 2 2 81 81 PHE H H 1 9.2380 0.0000 . 1 . . . B 79 PHE H . 11594 2 991 . 2 2 81 81 PHE HA H 1 4.3540 0.0000 . 1 . . . B 79 PHE HA . 11594 2 992 . 2 2 81 81 PHE HB2 H 1 3.3230 0.0000 . 1 . . . B 79 PHE HB2 . 11594 2 993 . 2 2 81 81 PHE HB3 H 1 3.0720 0.0000 . 1 . . . B 79 PHE HB3 . 11594 2 994 . 2 2 81 81 PHE HD2 H 1 7.5500 0.0000 . 3 . . . B 79 PHE HD2 . 11594 2 995 . 2 2 81 81 PHE HE2 H 1 7.2500 0.0000 . 3 . . . B 79 PHE HE2 . 11594 2 996 . 2 2 81 81 PHE HZ H 1 6.9420 0.0000 . 1 . . . B 79 PHE HZ . 11594 2 997 . 2 2 81 81 PHE C C 13 172.9260 0.0000 . 1 . . . B 79 PHE C . 11594 2 998 . 2 2 81 81 PHE CA C 13 58.9700 0.0000 . 1 . . . B 79 PHE CA . 11594 2 999 . 2 2 81 81 PHE CB C 13 37.5290 0.0000 . 1 . . . B 79 PHE CB . 11594 2 1000 . 2 2 81 81 PHE CD2 C 13 133.1450 0.0000 . 3 . . . B 79 PHE CD2 . 11594 2 1001 . 2 2 81 81 PHE CE2 C 13 130.2480 0.0000 . 3 . . . B 79 PHE CE2 . 11594 2 1002 . 2 2 81 81 PHE CZ C 13 127.3500 0.0000 . 1 . . . B 79 PHE CZ . 11594 2 1003 . 2 2 81 81 PHE N N 15 132.6560 0.0000 . 1 . . . B 79 PHE N . 11594 2 1004 . 2 2 82 82 SER H H 1 7.8830 0.0000 . 1 . . . B 80 SER H . 11594 2 1005 . 2 2 82 82 SER HA H 1 4.0700 0.0000 . 1 . . . B 80 SER HA . 11594 2 1006 . 2 2 82 82 SER HB2 H 1 2.7950 0.0000 . 1 . . . B 80 SER HB2 . 11594 2 1007 . 2 2 82 82 SER HB3 H 1 3.8940 0.0000 . 1 . . . B 80 SER HB3 . 11594 2 1008 . 2 2 82 82 SER C C 13 174.7340 0.0000 . 1 . . . B 80 SER C . 11594 2 1009 . 2 2 82 82 SER CA C 13 58.9700 0.0000 . 1 . . . B 80 SER CA . 11594 2 1010 . 2 2 82 82 SER CB C 13 65.3450 0.0000 . 1 . . . B 80 SER CB . 11594 2 1011 . 2 2 82 82 SER N N 15 121.2840 0.0000 . 1 . . . B 80 SER N . 11594 2 1012 . 2 2 83 83 ASN H H 1 9.1810 0.0000 . 1 . . . B 81 ASN H . 11594 2 1013 . 2 2 83 83 ASN HA H 1 4.7770 0.0000 . 1 . . . B 81 ASN HA . 11594 2 1014 . 2 2 83 83 ASN HB2 H 1 3.2720 0.0000 . 1 . . . B 81 ASN HB2 . 11594 2 1015 . 2 2 83 83 ASN HB3 H 1 2.6700 0.0000 . 1 . . . B 81 ASN HB3 . 11594 2 1016 . 2 2 83 83 ASN HD21 H 1 8.4010 0.0000 . 2 . . . B 81 ASN HD21 . 11594 2 1017 . 2 2 83 83 ASN HD22 H 1 6.8670 0.0000 . 2 . . . B 81 ASN HD22 . 11594 2 1018 . 2 2 83 83 ASN C C 13 175.2750 0.0000 . 1 . . . B 81 ASN C . 11594 2 1019 . 2 2 83 83 ASN CA C 13 53.7550 0.0000 . 1 . . . B 81 ASN CA . 11594 2 1020 . 2 2 83 83 ASN CB C 13 38.6880 0.0000 . 1 . . . B 81 ASN CB . 11594 2 1021 . 2 2 83 83 ASN N N 15 125.7540 0.0000 . 1 . . . B 81 ASN N . 11594 2 1022 . 2 2 83 83 ASN ND2 N 15 117.2780 0.0000 . 1 . . . B 81 ASN ND2 . 11594 2 1023 . 2 2 84 84 GLU H H 1 8.7600 0.0000 . 1 . . . B 82 GLU H . 11594 2 1024 . 2 2 84 84 GLU HA H 1 4.0450 0.0000 . 1 . . . B 82 GLU HA . 11594 2 1025 . 2 2 84 84 GLU HB2 H 1 2.1820 0.0000 . 2 . . . B 82 GLU HB2 . 11594 2 1026 . 2 2 84 84 GLU HG2 H 1 2.5010 0.0000 . 2 . . . B 82 GLU HG2 . 11594 2 1027 . 2 2 84 84 GLU HG3 H 1 2.4330 0.0000 . 2 . . . B 82 GLU HG3 . 11594 2 1028 . 2 2 84 84 GLU C C 13 178.2000 0.0000 . 1 . . . B 82 GLU C . 11594 2 1029 . 2 2 84 84 GLU CA C 13 60.1290 0.0000 . 1 . . . B 82 GLU CA . 11594 2 1030 . 2 2 84 84 GLU CB C 13 29.9960 0.0000 . 1 . . . B 82 GLU CB . 11594 2 1031 . 2 2 84 84 GLU CG C 13 36.3700 0.0000 . 1 . . . B 82 GLU CG . 11594 2 1032 . 2 2 84 84 GLU N N 15 127.6470 0.0000 . 1 . . . B 82 GLU N . 11594 2 1033 . 2 2 85 85 SER H H 1 8.6570 0.0000 . 1 . . . B 83 SER H . 11594 2 1034 . 2 2 85 85 SER HA H 1 4.4490 0.0000 . 1 . . . B 83 SER HA . 11594 2 1035 . 2 2 85 85 SER HB2 H 1 4.0230 0.0000 . 2 . . . B 83 SER HB2 . 11594 2 1036 . 2 2 85 85 SER C C 13 176.2400 0.0000 . 1 . . . B 83 SER C . 11594 2 1037 . 2 2 85 85 SER CA C 13 60.7090 0.0000 . 1 . . . B 83 SER CA . 11594 2 1038 . 2 2 85 85 SER CB C 13 63.6060 0.0000 . 1 . . . B 83 SER CB . 11594 2 1039 . 2 2 85 85 SER N N 15 113.2260 0.0000 . 1 . . . B 83 SER N . 11594 2 1040 . 2 2 86 86 THR H H 1 7.3790 0.0000 . 1 . . . B 84 THR H . 11594 2 1041 . 2 2 86 86 THR HA H 1 4.6880 0.0000 . 1 . . . B 84 THR HA . 11594 2 1042 . 2 2 86 86 THR HB H 1 4.6110 0.0000 . 1 . . . B 84 THR HB . 11594 2 1043 . 2 2 86 86 THR HG21 H 1 1.1320 0.0000 . 1 . . . B 84 THR HG21 . 11594 2 1044 . 2 2 86 86 THR HG22 H 1 1.1320 0.0000 . 1 . . . B 84 THR HG21 . 11594 2 1045 . 2 2 86 86 THR HG23 H 1 1.1320 0.0000 . 1 . . . B 84 THR HG21 . 11594 2 1046 . 2 2 86 86 THR C C 13 174.9740 0.0000 . 1 . . . B 84 THR C . 11594 2 1047 . 2 2 86 86 THR CA C 13 61.8680 0.0000 . 1 . . . B 84 THR CA . 11594 2 1048 . 2 2 86 86 THR CB C 13 69.4010 0.0000 . 1 . . . B 84 THR CB . 11594 2 1049 . 2 2 86 86 THR CG2 C 13 21.8830 0.0000 . 1 . . . B 84 THR CG2 . 11594 2 1050 . 2 2 86 86 THR N N 15 109.8770 0.0000 . 1 . . . B 84 THR N . 11594 2 1051 . 2 2 87 87 ALA H H 1 7.6590 0.0000 . 1 . . . B 85 ALA H . 11594 2 1052 . 2 2 87 87 ALA HA H 1 4.2410 0.0000 . 1 . . . B 85 ALA HA . 11594 2 1053 . 2 2 87 87 ALA HB1 H 1 1.5500 0.0000 . 1 . . . B 85 ALA HB1 . 11594 2 1054 . 2 2 87 87 ALA HB2 H 1 1.5500 0.0000 . 1 . . . B 85 ALA HB1 . 11594 2 1055 . 2 2 87 87 ALA HB3 H 1 1.5500 0.0000 . 1 . . . B 85 ALA HB1 . 11594 2 1056 . 2 2 87 87 ALA C C 13 178.8470 0.0000 . 1 . . . B 85 ALA C . 11594 2 1057 . 2 2 87 87 ALA CA C 13 56.6520 0.0000 . 1 . . . B 85 ALA CA . 11594 2 1058 . 2 2 87 87 ALA CB C 13 20.1440 0.0000 . 1 . . . B 85 ALA CB . 11594 2 1059 . 2 2 87 87 ALA N N 15 126.4850 0.0000 . 1 . . . B 85 ALA N . 11594 2 1060 . 2 2 88 88 VAL H H 1 8.3000 0.0000 . 1 . . . B 86 VAL H . 11594 2 1061 . 2 2 88 88 VAL HA H 1 3.4490 0.0000 . 1 . . . B 86 VAL HA . 11594 2 1062 . 2 2 88 88 VAL HB H 1 1.9940 0.0000 . 1 . . . B 86 VAL HB . 11594 2 1063 . 2 2 88 88 VAL HG11 H 1 0.9360 0.0000 . 1 . . . B 86 VAL HG11 . 11594 2 1064 . 2 2 88 88 VAL HG12 H 1 0.9360 0.0000 . 1 . . . B 86 VAL HG11 . 11594 2 1065 . 2 2 88 88 VAL HG13 H 1 0.9360 0.0000 . 1 . . . B 86 VAL HG11 . 11594 2 1066 . 2 2 88 88 VAL HG21 H 1 1.0930 0.0000 . 1 . . . B 86 VAL HG21 . 11594 2 1067 . 2 2 88 88 VAL HG22 H 1 1.0930 0.0000 . 1 . . . B 86 VAL HG21 . 11594 2 1068 . 2 2 88 88 VAL HG23 H 1 1.0930 0.0000 . 1 . . . B 86 VAL HG21 . 11594 2 1069 . 2 2 88 88 VAL C C 13 177.5120 0.0000 . 1 . . . B 86 VAL C . 11594 2 1070 . 2 2 88 88 VAL CA C 13 67.0830 0.0000 . 1 . . . B 86 VAL CA . 11594 2 1071 . 2 2 88 88 VAL CB C 13 31.7340 0.0000 . 1 . . . B 86 VAL CB . 11594 2 1072 . 2 2 88 88 VAL CG1 C 13 21.3030 0.0000 . 1 . . . B 86 VAL CG1 . 11594 2 1073 . 2 2 88 88 VAL CG2 C 13 23.6210 0.0000 . 1 . . . B 86 VAL CG2 . 11594 2 1074 . 2 2 88 88 VAL N N 15 116.5470 0.0000 . 1 . . . B 86 VAL N . 11594 2 1075 . 2 2 89 89 LYS H H 1 7.5560 0.0000 . 1 . . . B 87 LYS H . 11594 2 1076 . 2 2 89 89 LYS HA H 1 4.1230 0.0000 . 1 . . . B 87 LYS HA . 11594 2 1077 . 2 2 89 89 LYS HB2 H 1 1.9480 0.0000 . 2 . . . B 87 LYS HB2 . 11594 2 1078 . 2 2 89 89 LYS HB3 H 1 1.8850 0.0000 . 2 . . . B 87 LYS HB3 . 11594 2 1079 . 2 2 89 89 LYS HG2 H 1 1.5780 0.0000 . 2 . . . B 87 LYS HG2 . 11594 2 1080 . 2 2 89 89 LYS HG3 H 1 1.5020 0.0000 . 2 . . . B 87 LYS HG3 . 11594 2 1081 . 2 2 89 89 LYS HD2 H 1 1.7470 0.0000 . 2 . . . B 87 LYS HD2 . 11594 2 1082 . 2 2 89 89 LYS HE2 H 1 3.0410 0.0000 . 2 . . . B 87 LYS HE2 . 11594 2 1083 . 2 2 89 89 LYS C C 13 180.4460 0.0000 . 1 . . . B 87 LYS C . 11594 2 1084 . 2 2 89 89 LYS CA C 13 58.9700 0.0000 . 1 . . . B 87 LYS CA . 11594 2 1085 . 2 2 89 89 LYS CB C 13 31.7330 0.0000 . 1 . . . B 87 LYS CB . 11594 2 1086 . 2 2 89 89 LYS CG C 13 24.7800 0.0000 . 1 . . . B 87 LYS CG . 11594 2 1087 . 2 2 89 89 LYS CD C 13 28.8370 0.0000 . 1 . . . B 87 LYS CD . 11594 2 1088 . 2 2 89 89 LYS CE C 13 42.1650 0.0000 . 1 . . . B 87 LYS CE . 11594 2 1089 . 2 2 89 89 LYS N N 15 120.7280 0.0000 . 1 . . . B 87 LYS N . 11594 2 1090 . 2 2 90 90 GLU H H 1 8.4830 0.0000 . 1 . . . B 88 GLU H . 11594 2 1091 . 2 2 90 90 GLU HA H 1 4.0100 0.0000 . 1 . . . B 88 GLU HA . 11594 2 1092 . 2 2 90 90 GLU HB2 H 1 2.0080 0.0000 . 1 . . . B 88 GLU HB2 . 11594 2 1093 . 2 2 90 90 GLU HB3 H 1 2.4450 0.0000 . 1 . . . B 88 GLU HB3 . 11594 2 1094 . 2 2 90 90 GLU HG2 H 1 2.6230 0.0000 . 2 . . . B 88 GLU HG2 . 11594 2 1095 . 2 2 90 90 GLU HG3 H 1 2.3230 0.0000 . 2 . . . B 88 GLU HG3 . 11594 2 1096 . 2 2 90 90 GLU C C 13 177.5400 0.0000 . 1 . . . B 88 GLU C . 11594 2 1097 . 2 2 90 90 GLU CA C 13 58.9700 0.0000 . 1 . . . B 88 GLU CA . 11594 2 1098 . 2 2 90 90 GLU CB C 13 29.9960 0.0000 . 1 . . . B 88 GLU CB . 11594 2 1099 . 2 2 90 90 GLU CG C 13 36.9500 0.0000 . 1 . . . B 88 GLU CG . 11594 2 1100 . 2 2 90 90 GLU N N 15 122.1760 0.0000 . 1 . . . B 88 GLU N . 11594 2 1101 . 2 2 91 91 ARG H H 1 8.3200 0.0000 . 1 . . . B 89 ARG H . 11594 2 1102 . 2 2 91 91 ARG HA H 1 2.7470 0.0000 . 1 . . . B 89 ARG HA . 11594 2 1103 . 2 2 91 91 ARG HB2 H 1 1.6890 0.0000 . 1 . . . B 89 ARG HB2 . 11594 2 1104 . 2 2 91 91 ARG HB3 H 1 0.7280 0.0000 . 1 . . . B 89 ARG HB3 . 11594 2 1105 . 2 2 91 91 ARG HG2 H 1 1.4650 0.0000 . 2 . . . B 89 ARG HG2 . 11594 2 1106 . 2 2 91 91 ARG HG3 H 1 1.2880 0.0000 . 2 . . . B 89 ARG HG3 . 11594 2 1107 . 2 2 91 91 ARG HD2 H 1 3.2720 0.0000 . 2 . . . B 89 ARG HD2 . 11594 2 1108 . 2 2 91 91 ARG HD3 H 1 2.9910 0.0000 . 2 . . . B 89 ARG HD3 . 11594 2 1109 . 2 2 91 91 ARG C C 13 179.1880 0.0000 . 1 . . . B 89 ARG C . 11594 2 1110 . 2 2 91 91 ARG CA C 13 59.5500 0.0000 . 1 . . . B 89 ARG CA . 11594 2 1111 . 2 2 91 91 ARG CB C 13 27.6780 0.0000 . 1 . . . B 89 ARG CB . 11594 2 1112 . 2 2 91 91 ARG CG C 13 27.6780 0.0000 . 1 . . . B 89 ARG CG . 11594 2 1113 . 2 2 91 91 ARG CD C 13 42.1650 0.0000 . 1 . . . B 89 ARG CD . 11594 2 1114 . 2 2 91 91 ARG N N 15 121.4380 0.0000 . 1 . . . B 89 ARG N . 11594 2 1115 . 2 2 92 92 ASP H H 1 8.4060 0.0000 . 1 . . . B 90 ASP H . 11594 2 1116 . 2 2 92 92 ASP HA H 1 4.3380 0.0000 . 1 . . . B 90 ASP HA . 11594 2 1117 . 2 2 92 92 ASP HB2 H 1 2.7820 0.0000 . 1 . . . B 90 ASP HB2 . 11594 2 1118 . 2 2 92 92 ASP HB3 H 1 2.6690 0.0000 . 1 . . . B 90 ASP HB3 . 11594 2 1119 . 2 2 92 92 ASP C C 13 177.2630 0.0000 . 1 . . . B 90 ASP C . 11594 2 1120 . 2 2 92 92 ASP CA C 13 57.2320 0.0000 . 1 . . . B 90 ASP CA . 11594 2 1121 . 2 2 92 92 ASP CB C 13 39.2680 0.0000 . 1 . . . B 90 ASP CB . 11594 2 1122 . 2 2 92 92 ASP N N 15 120.8170 0.0000 . 1 . . . B 90 ASP N . 11594 2 1123 . 2 2 93 93 ALA H H 1 7.8270 0.0000 . 1 . . . B 91 ALA H . 11594 2 1124 . 2 2 93 93 ALA HA H 1 4.2110 0.0000 . 1 . . . B 91 ALA HA . 11594 2 1125 . 2 2 93 93 ALA HB1 H 1 1.5600 0.0000 . 1 . . . B 91 ALA HB1 . 11594 2 1126 . 2 2 93 93 ALA HB2 H 1 1.5600 0.0000 . 1 . . . B 91 ALA HB1 . 11594 2 1127 . 2 2 93 93 ALA HB3 H 1 1.5600 0.0000 . 1 . . . B 91 ALA HB1 . 11594 2 1128 . 2 2 93 93 ALA C C 13 181.0630 0.0000 . 1 . . . B 91 ALA C . 11594 2 1129 . 2 2 93 93 ALA CA C 13 54.9140 0.0000 . 1 . . . B 91 ALA CA . 11594 2 1130 . 2 2 93 93 ALA CB C 13 17.8260 0.0000 . 1 . . . B 91 ALA CB . 11594 2 1131 . 2 2 93 93 ALA N N 15 124.1610 0.0000 . 1 . . . B 91 ALA N . 11594 2 1132 . 2 2 94 94 VAL H H 1 7.9230 0.0000 . 1 . . . B 92 VAL H . 11594 2 1133 . 2 2 94 94 VAL HA H 1 3.4630 0.0000 . 1 . . . B 92 VAL HA . 11594 2 1134 . 2 2 94 94 VAL HB H 1 2.3050 0.0000 . 1 . . . B 92 VAL HB . 11594 2 1135 . 2 2 94 94 VAL HG11 H 1 1.0700 0.0000 . 1 . . . B 92 VAL HG11 . 11594 2 1136 . 2 2 94 94 VAL HG12 H 1 1.0700 0.0000 . 1 . . . B 92 VAL HG11 . 11594 2 1137 . 2 2 94 94 VAL HG13 H 1 1.0700 0.0000 . 1 . . . B 92 VAL HG11 . 11594 2 1138 . 2 2 94 94 VAL HG21 H 1 1.2070 0.0000 . 1 . . . B 92 VAL HG21 . 11594 2 1139 . 2 2 94 94 VAL HG22 H 1 1.2070 0.0000 . 1 . . . B 92 VAL HG21 . 11594 2 1140 . 2 2 94 94 VAL HG23 H 1 1.2070 0.0000 . 1 . . . B 92 VAL HG21 . 11594 2 1141 . 2 2 94 94 VAL C C 13 176.5530 0.0000 . 1 . . . B 92 VAL C . 11594 2 1142 . 2 2 94 94 VAL CA C 13 67.0830 0.0000 . 1 . . . B 92 VAL CA . 11594 2 1143 . 2 2 94 94 VAL CB C 13 31.7340 0.0000 . 1 . . . B 92 VAL CB . 11594 2 1144 . 2 2 94 94 VAL CG1 C 13 22.4620 0.0000 . 1 . . . B 92 VAL CG1 . 11594 2 1145 . 2 2 94 94 VAL CG2 C 13 24.2010 0.0000 . 1 . . . B 92 VAL CG2 . 11594 2 1146 . 2 2 94 94 VAL N N 15 120.6910 0.0000 . 1 . . . B 92 VAL N . 11594 2 1147 . 2 2 95 95 LYS H H 1 8.7030 0.0000 . 1 . . . B 93 LYS H . 11594 2 1148 . 2 2 95 95 LYS HA H 1 4.8690 0.0000 . 1 . . . B 93 LYS HA . 11594 2 1149 . 2 2 95 95 LYS HB2 H 1 1.9960 0.0000 . 1 . . . B 93 LYS HB2 . 11594 2 1150 . 2 2 95 95 LYS HB3 H 1 1.7730 0.0000 . 1 . . . B 93 LYS HB3 . 11594 2 1151 . 2 2 95 95 LYS HG2 H 1 1.5200 0.0000 . 2 . . . B 93 LYS HG2 . 11594 2 1152 . 2 2 95 95 LYS HG3 H 1 1.4360 0.0000 . 2 . . . B 93 LYS HG3 . 11594 2 1153 . 2 2 95 95 LYS HD2 H 1 1.7340 0.0000 . 2 . . . B 93 LYS HD2 . 11594 2 1154 . 2 2 95 95 LYS HD3 H 1 1.5210 0.0000 . 2 . . . B 93 LYS HD3 . 11594 2 1155 . 2 2 95 95 LYS HE2 H 1 2.9620 0.0000 . 2 . . . B 93 LYS HE2 . 11594 2 1156 . 2 2 95 95 LYS HE3 H 1 2.9230 0.0000 . 2 . . . B 93 LYS HE3 . 11594 2 1157 . 2 2 95 95 LYS C C 13 179.7750 0.0000 . 1 . . . B 93 LYS C . 11594 2 1158 . 2 2 95 95 LYS CA C 13 57.8110 0.0000 . 1 . . . B 93 LYS CA . 11594 2 1159 . 2 2 95 95 LYS CB C 13 31.7340 0.0000 . 1 . . . B 93 LYS CB . 11594 2 1160 . 2 2 95 95 LYS CG C 13 23.6210 0.0000 . 1 . . . B 93 LYS CG . 11594 2 1161 . 2 2 95 95 LYS CD C 13 29.4160 0.0000 . 1 . . . B 93 LYS CD . 11594 2 1162 . 2 2 95 95 LYS CE C 13 41.5860 0.0000 . 1 . . . B 93 LYS CE . 11594 2 1163 . 2 2 95 95 LYS N N 15 122.4810 0.0000 . 1 . . . B 93 LYS N . 11594 2 1164 . 2 2 96 96 ASP H H 1 8.7110 0.0000 . 1 . . . B 94 ASP H . 11594 2 1165 . 2 2 96 96 ASP HA H 1 4.4350 0.0000 . 1 . . . B 94 ASP HA . 11594 2 1166 . 2 2 96 96 ASP HB2 H 1 2.8120 0.0000 . 1 . . . B 94 ASP HB2 . 11594 2 1167 . 2 2 96 96 ASP HB3 H 1 2.6160 0.0000 . 1 . . . B 94 ASP HB3 . 11594 2 1168 . 2 2 96 96 ASP C C 13 179.4240 0.0000 . 1 . . . B 94 ASP C . 11594 2 1169 . 2 2 96 96 ASP CA C 13 57.2320 0.0000 . 1 . . . B 94 ASP CA . 11594 2 1170 . 2 2 96 96 ASP CB C 13 40.4270 0.0000 . 1 . . . B 94 ASP CB . 11594 2 1171 . 2 2 96 96 ASP N N 15 121.5020 0.0000 . 1 . . . B 94 ASP N . 11594 2 1172 . 2 2 97 97 LEU H H 1 7.6610 0.0000 . 1 . . . B 95 LEU H . 11594 2 1173 . 2 2 97 97 LEU HA H 1 4.2240 0.0000 . 1 . . . B 95 LEU HA . 11594 2 1174 . 2 2 97 97 LEU HB2 H 1 1.8260 0.0000 . 2 . . . B 95 LEU HB2 . 11594 2 1175 . 2 2 97 97 LEU HB3 H 1 1.5350 0.0000 . 2 . . . B 95 LEU HB3 . 11594 2 1176 . 2 2 97 97 LEU HG H 1 1.7320 0.0000 . 1 . . . B 95 LEU HG . 11594 2 1177 . 2 2 97 97 LEU HD11 H 1 0.9330 0.0000 . 2 . . . B 95 LEU HD11 . 11594 2 1178 . 2 2 97 97 LEU HD12 H 1 0.9330 0.0000 . 2 . . . B 95 LEU HD11 . 11594 2 1179 . 2 2 97 97 LEU HD13 H 1 0.9330 0.0000 . 2 . . . B 95 LEU HD11 . 11594 2 1180 . 2 2 97 97 LEU HD21 H 1 0.9100 0.0000 . 2 . . . B 95 LEU HD21 . 11594 2 1181 . 2 2 97 97 LEU HD22 H 1 0.9100 0.0000 . 2 . . . B 95 LEU HD21 . 11594 2 1182 . 2 2 97 97 LEU HD23 H 1 0.9100 0.0000 . 2 . . . B 95 LEU HD21 . 11594 2 1183 . 2 2 97 97 LEU C C 13 179.9420 0.0000 . 1 . . . B 95 LEU C . 11594 2 1184 . 2 2 97 97 LEU CA C 13 57.8110 0.0000 . 1 . . . B 95 LEU CA . 11594 2 1185 . 2 2 97 97 LEU CB C 13 41.5860 0.0000 . 1 . . . B 95 LEU CB . 11594 2 1186 . 2 2 97 97 LEU CG C 13 27.6780 0.0000 . 1 . . . B 95 LEU CG . 11594 2 1187 . 2 2 97 97 LEU CD1 C 13 25.3600 0.0000 . 2 . . . B 95 LEU CD1 . 11594 2 1188 . 2 2 97 97 LEU CD2 C 13 24.7800 0.0000 . 2 . . . B 95 LEU CD2 . 11594 2 1189 . 2 2 97 97 LEU N N 15 122.7190 0.0000 . 1 . . . B 95 LEU N . 11594 2 1190 . 2 2 98 98 LEU H H 1 8.9900 0.0000 . 1 . . . B 96 LEU H . 11594 2 1191 . 2 2 98 98 LEU HA H 1 3.8230 0.0000 . 1 . . . B 96 LEU HA . 11594 2 1192 . 2 2 98 98 LEU HB2 H 1 1.0730 0.0000 . 1 . . . B 96 LEU HB2 . 11594 2 1193 . 2 2 98 98 LEU HB3 H 1 2.2150 0.0000 . 1 . . . B 96 LEU HB3 . 11594 2 1194 . 2 2 98 98 LEU HG H 1 1.8320 0.0000 . 1 . . . B 96 LEU HG . 11594 2 1195 . 2 2 98 98 LEU HD11 H 1 0.8470 0.0000 . 1 . . . B 96 LEU HD11 . 11594 2 1196 . 2 2 98 98 LEU HD12 H 1 0.8470 0.0000 . 1 . . . B 96 LEU HD11 . 11594 2 1197 . 2 2 98 98 LEU HD13 H 1 0.8470 0.0000 . 1 . . . B 96 LEU HD11 . 11594 2 1198 . 2 2 98 98 LEU HD21 H 1 0.7870 0.0000 . 1 . . . B 96 LEU HD21 . 11594 2 1199 . 2 2 98 98 LEU HD22 H 1 0.7870 0.0000 . 1 . . . B 96 LEU HD21 . 11594 2 1200 . 2 2 98 98 LEU HD23 H 1 0.7870 0.0000 . 1 . . . B 96 LEU HD21 . 11594 2 1201 . 2 2 98 98 LEU C C 13 178.6920 0.0000 . 1 . . . B 96 LEU C . 11594 2 1202 . 2 2 98 98 LEU CA C 13 58.9700 0.0000 . 1 . . . B 96 LEU CA . 11594 2 1203 . 2 2 98 98 LEU CB C 13 41.0060 0.0000 . 1 . . . B 96 LEU CB . 11594 2 1204 . 2 2 98 98 LEU CG C 13 27.0980 0.0000 . 1 . . . B 96 LEU CG . 11594 2 1205 . 2 2 98 98 LEU CD1 C 13 27.0980 0.0000 . 1 . . . B 96 LEU CD1 . 11594 2 1206 . 2 2 98 98 LEU CD2 C 13 24.2010 0.0000 . 1 . . . B 96 LEU CD2 . 11594 2 1207 . 2 2 98 98 LEU N N 15 120.9140 0.0000 . 1 . . . B 96 LEU N . 11594 2 1208 . 2 2 99 99 GLN H H 1 8.3460 0.0000 . 1 . . . B 97 GLN H . 11594 2 1209 . 2 2 99 99 GLN HA H 1 4.1400 0.0000 . 1 . . . B 97 GLN HA . 11594 2 1210 . 2 2 99 99 GLN HB2 H 1 2.2520 0.0000 . 1 . . . B 97 GLN HB2 . 11594 2 1211 . 2 2 99 99 GLN HB3 H 1 2.1640 0.0000 . 1 . . . B 97 GLN HB3 . 11594 2 1212 . 2 2 99 99 GLN HG2 H 1 2.5600 0.0000 . 2 . . . B 97 GLN HG2 . 11594 2 1213 . 2 2 99 99 GLN HG3 H 1 2.3050 0.0000 . 2 . . . B 97 GLN HG3 . 11594 2 1214 . 2 2 99 99 GLN HE21 H 1 7.5510 0.0000 . 2 . . . B 97 GLN HE21 . 11594 2 1215 . 2 2 99 99 GLN HE22 H 1 7.0720 0.0000 . 2 . . . B 97 GLN HE22 . 11594 2 1216 . 2 2 99 99 GLN C C 13 177.5480 0.0000 . 1 . . . B 97 GLN C . 11594 2 1217 . 2 2 99 99 GLN CA C 13 58.3910 0.0000 . 1 . . . B 97 GLN CA . 11594 2 1218 . 2 2 99 99 GLN CB C 13 29.9960 0.0000 . 1 . . . B 97 GLN CB . 11594 2 1219 . 2 2 99 99 GLN CG C 13 35.2110 0.0000 . 1 . . . B 97 GLN CG . 11594 2 1220 . 2 2 99 99 GLN N N 15 118.1100 0.0000 . 1 . . . B 97 GLN N . 11594 2 1221 . 2 2 99 99 GLN NE2 N 15 113.8960 0.0000 . 1 . . . B 97 GLN NE2 . 11594 2 1222 . 2 2 100 100 GLN H H 1 7.2500 0.0000 . 1 . . . B 98 GLN H . 11594 2 1223 . 2 2 100 100 GLN HA H 1 4.2850 0.0000 . 1 . . . B 98 GLN HA . 11594 2 1224 . 2 2 100 100 GLN HB2 H 1 2.2210 0.0000 . 1 . . . B 98 GLN HB2 . 11594 2 1225 . 2 2 100 100 GLN HB3 H 1 2.2530 0.0000 . 1 . . . B 98 GLN HB3 . 11594 2 1226 . 2 2 100 100 GLN HG2 H 1 2.5790 0.0000 . 2 . . . B 98 GLN HG2 . 11594 2 1227 . 2 2 100 100 GLN HG3 H 1 2.4250 0.0000 . 2 . . . B 98 GLN HG3 . 11594 2 1228 . 2 2 100 100 GLN HE21 H 1 7.3510 0.0000 . 2 . . . B 98 GLN HE21 . 11594 2 1229 . 2 2 100 100 GLN HE22 H 1 6.7550 0.0000 . 2 . . . B 98 GLN HE22 . 11594 2 1230 . 2 2 100 100 GLN C C 13 178.0570 0.0000 . 1 . . . B 98 GLN C . 11594 2 1231 . 2 2 100 100 GLN CA C 13 57.2320 0.0000 . 1 . . . B 98 GLN CA . 11594 2 1232 . 2 2 100 100 GLN CB C 13 29.4160 0.0000 . 1 . . . B 98 GLN CB . 11594 2 1233 . 2 2 100 100 GLN CG C 13 33.4730 0.0000 . 1 . . . B 98 GLN CG . 11594 2 1234 . 2 2 100 100 GLN N N 15 115.0560 0.0000 . 1 . . . B 98 GLN N . 11594 2 1235 . 2 2 100 100 GLN NE2 N 15 113.0860 0.0000 . 1 . . . B 98 GLN NE2 . 11594 2 1236 . 2 2 101 101 LEU H H 1 8.1930 0.0000 . 1 . . . B 99 LEU H . 11594 2 1237 . 2 2 101 101 LEU HA H 1 4.1900 0.0000 . 1 . . . B 99 LEU HA . 11594 2 1238 . 2 2 101 101 LEU HB2 H 1 0.8020 0.0000 . 1 . . . B 99 LEU HB2 . 11594 2 1239 . 2 2 101 101 LEU HB3 H 1 1.1620 0.0000 . 1 . . . B 99 LEU HB3 . 11594 2 1240 . 2 2 101 101 LEU HG H 1 1.6830 0.0000 . 1 . . . B 99 LEU HG . 11594 2 1241 . 2 2 101 101 LEU HD11 H 1 0.6590 0.0000 . 1 . . . B 99 LEU HD11 . 11594 2 1242 . 2 2 101 101 LEU HD12 H 1 0.6590 0.0000 . 1 . . . B 99 LEU HD11 . 11594 2 1243 . 2 2 101 101 LEU HD13 H 1 0.6590 0.0000 . 1 . . . B 99 LEU HD11 . 11594 2 1244 . 2 2 101 101 LEU HD21 H 1 0.9360 0.0000 . 1 . . . B 99 LEU HD21 . 11594 2 1245 . 2 2 101 101 LEU HD22 H 1 0.9360 0.0000 . 1 . . . B 99 LEU HD21 . 11594 2 1246 . 2 2 101 101 LEU HD23 H 1 0.9360 0.0000 . 1 . . . B 99 LEU HD21 . 11594 2 1247 . 2 2 101 101 LEU C C 13 178.2680 0.0000 . 1 . . . B 99 LEU C . 11594 2 1248 . 2 2 101 101 LEU CA C 13 57.2320 0.0000 . 1 . . . B 99 LEU CA . 11594 2 1249 . 2 2 101 101 LEU CB C 13 43.3240 0.0000 . 1 . . . B 99 LEU CB . 11594 2 1250 . 2 2 101 101 LEU CG C 13 26.5190 0.0000 . 1 . . . B 99 LEU CG . 11594 2 1251 . 2 2 101 101 LEU CD1 C 13 25.9390 0.0000 . 1 . . . B 99 LEU CD1 . 11594 2 1252 . 2 2 101 101 LEU CD2 C 13 22.4620 0.0000 . 1 . . . B 99 LEU CD2 . 11594 2 1253 . 2 2 101 101 LEU N N 15 121.7250 0.0000 . 1 . . . B 99 LEU N . 11594 2 1254 . 2 2 102 102 LEU H H 1 8.7660 0.0000 . 1 . . . B 100 LEU H . 11594 2 1255 . 2 2 102 102 LEU HA H 1 4.0770 0.0000 . 1 . . . B 100 LEU HA . 11594 2 1256 . 2 2 102 102 LEU HB2 H 1 1.5240 0.0000 . 1 . . . B 100 LEU HB2 . 11594 2 1257 . 2 2 102 102 LEU HB3 H 1 2.1210 0.0000 . 1 . . . B 100 LEU HB3 . 11594 2 1258 . 2 2 102 102 LEU HG H 1 1.9730 0.0000 . 1 . . . B 100 LEU HG . 11594 2 1259 . 2 2 102 102 LEU HD11 H 1 0.7900 0.0000 . 1 . . . B 100 LEU HD11 . 11594 2 1260 . 2 2 102 102 LEU HD12 H 1 0.7900 0.0000 . 1 . . . B 100 LEU HD11 . 11594 2 1261 . 2 2 102 102 LEU HD13 H 1 0.7900 0.0000 . 1 . . . B 100 LEU HD11 . 11594 2 1262 . 2 2 102 102 LEU HD21 H 1 0.9220 0.0000 . 1 . . . B 100 LEU HD21 . 11594 2 1263 . 2 2 102 102 LEU HD22 H 1 0.9220 0.0000 . 1 . . . B 100 LEU HD21 . 11594 2 1264 . 2 2 102 102 LEU HD23 H 1 0.9220 0.0000 . 1 . . . B 100 LEU HD21 . 11594 2 1265 . 2 2 102 102 LEU C C 13 177.7800 0.0000 . 1 . . . B 100 LEU C . 11594 2 1266 . 2 2 102 102 LEU CA C 13 60.7090 0.0000 . 1 . . . B 100 LEU CA . 11594 2 1267 . 2 2 102 102 LEU CB C 13 38.1090 0.0000 . 1 . . . B 100 LEU CB . 11594 2 1268 . 2 2 102 102 LEU CG C 13 27.0980 0.0000 . 1 . . . B 100 LEU CG . 11594 2 1269 . 2 2 102 102 LEU CD1 C 13 24.7800 0.0000 . 1 . . . B 100 LEU CD1 . 11594 2 1270 . 2 2 102 102 LEU CD2 C 13 23.6210 0.0000 . 1 . . . B 100 LEU CD2 . 11594 2 1271 . 2 2 102 102 LEU N N 15 118.7080 0.0000 . 1 . . . B 100 LEU N . 11594 2 1272 . 2 2 103 103 PRO HA H 1 4.3400 0.0000 . 1 . . . B 101 PRO HA . 11594 2 1273 . 2 2 103 103 PRO HB2 H 1 1.7870 0.0000 . 2 . . . B 101 PRO HB2 . 11594 2 1274 . 2 2 103 103 PRO HB3 H 1 2.4010 0.0000 . 2 . . . B 101 PRO HB3 . 11594 2 1275 . 2 2 103 103 PRO HG2 H 1 2.1420 0.0000 . 2 . . . B 101 PRO HG2 . 11594 2 1276 . 2 2 103 103 PRO HG3 H 1 2.0960 0.0000 . 2 . . . B 101 PRO HG3 . 11594 2 1277 . 2 2 103 103 PRO HD2 H 1 3.6640 0.0000 . 2 . . . B 101 PRO HD2 . 11594 2 1278 . 2 2 103 103 PRO HD3 H 1 3.4460 0.0000 . 2 . . . B 101 PRO HD3 . 11594 2 1279 . 2 2 103 103 PRO C C 13 178.5780 0.0000 . 1 . . . B 101 PRO C . 11594 2 1280 . 2 2 103 103 PRO CA C 13 65.9250 0.0000 . 1 . . . B 101 PRO CA . 11594 2 1281 . 2 2 103 103 PRO CB C 13 31.1550 0.0000 . 1 . . . B 101 PRO CB . 11594 2 1282 . 2 2 103 103 PRO CG C 13 28.2570 0.0000 . 1 . . . B 101 PRO CG . 11594 2 1283 . 2 2 103 103 PRO CD C 13 51.4370 0.0000 . 1 . . . B 101 PRO CD . 11594 2 1284 . 2 2 104 104 LYS H H 1 7.1930 0.0000 . 1 . . . B 102 LYS H . 11594 2 1285 . 2 2 104 104 LYS HA H 1 3.9690 0.0000 . 1 . . . B 102 LYS HA . 11594 2 1286 . 2 2 104 104 LYS HB2 H 1 1.8600 0.0000 . 2 . . . B 102 LYS HB2 . 11594 2 1287 . 2 2 104 104 LYS HB3 H 1 1.6460 0.0000 . 2 . . . B 102 LYS HB3 . 11594 2 1288 . 2 2 104 104 LYS HG2 H 1 1.4290 0.0000 . 2 . . . B 102 LYS HG2 . 11594 2 1289 . 2 2 104 104 LYS HG3 H 1 0.9920 0.0000 . 2 . . . B 102 LYS HG3 . 11594 2 1290 . 2 2 104 104 LYS HD2 H 1 1.6600 0.0000 . 2 . . . B 102 LYS HD2 . 11594 2 1291 . 2 2 104 104 LYS HD3 H 1 1.6200 0.0000 . 2 . . . B 102 LYS HD3 . 11594 2 1292 . 2 2 104 104 LYS HE2 H 1 2.9340 0.0000 . 2 . . . B 102 LYS HE2 . 11594 2 1293 . 2 2 104 104 LYS C C 13 177.1870 0.0000 . 1 . . . B 102 LYS C . 11594 2 1294 . 2 2 104 104 LYS CA C 13 58.3910 0.0000 . 1 . . . B 102 LYS CA . 11594 2 1295 . 2 2 104 104 LYS CB C 13 32.3140 0.0000 . 1 . . . B 102 LYS CB . 11594 2 1296 . 2 2 104 104 LYS CG C 13 24.7800 0.0000 . 1 . . . B 102 LYS CG . 11594 2 1297 . 2 2 104 104 LYS CD C 13 29.4160 0.0000 . 1 . . . B 102 LYS CD . 11594 2 1298 . 2 2 104 104 LYS CE C 13 41.5860 0.0000 . 1 . . . B 102 LYS CE . 11594 2 1299 . 2 2 104 104 LYS N N 15 116.9110 0.0000 . 1 . . . B 102 LYS N . 11594 2 1300 . 2 2 105 105 PHE H H 1 7.4170 0.0000 . 1 . . . B 103 PHE H . 11594 2 1301 . 2 2 105 105 PHE HA H 1 4.6490 0.0000 . 1 . . . B 103 PHE HA . 11594 2 1302 . 2 2 105 105 PHE HB2 H 1 3.4970 0.0000 . 1 . . . B 103 PHE HB2 . 11594 2 1303 . 2 2 105 105 PHE HB3 H 1 2.4670 0.0000 . 1 . . . B 103 PHE HB3 . 11594 2 1304 . 2 2 105 105 PHE HD1 H 1 7.6120 0.0000 . 3 . . . B 103 PHE HD1 . 11594 2 1305 . 2 2 105 105 PHE HE1 H 1 7.5710 0.0000 . 3 . . . B 103 PHE HE1 . 11594 2 1306 . 2 2 105 105 PHE HZ H 1 7.5690 0.0000 . 1 . . . B 103 PHE HZ . 11594 2 1307 . 2 2 105 105 PHE C C 13 174.5470 0.0000 . 1 . . . B 103 PHE C . 11594 2 1308 . 2 2 105 105 PHE CA C 13 57.8110 0.0000 . 1 . . . B 103 PHE CA . 11594 2 1309 . 2 2 105 105 PHE CB C 13 41.0060 0.0000 . 1 . . . B 103 PHE CB . 11594 2 1310 . 2 2 105 105 PHE CD1 C 13 133.1450 0.0000 . 3 . . . B 103 PHE CD1 . 11594 2 1311 . 2 2 105 105 PHE CE1 C 13 131.4070 0.0000 . 3 . . . B 103 PHE CE1 . 11594 2 1312 . 2 2 105 105 PHE CZ C 13 131.4070 0.0000 . 1 . . . B 103 PHE CZ . 11594 2 1313 . 2 2 105 105 PHE N N 15 116.2460 0.0000 . 1 . . . B 103 PHE N . 11594 2 1314 . 2 2 106 106 LYS H H 1 7.0590 0.0000 . 1 . . . B 104 LYS H . 11594 2 1315 . 2 2 106 106 LYS HA H 1 4.4350 0.0000 . 1 . . . B 104 LYS HA . 11594 2 1316 . 2 2 106 106 LYS HB2 H 1 1.9250 0.0000 . 2 . . . B 104 LYS HB2 . 11594 2 1317 . 2 2 106 106 LYS HB3 H 1 1.8940 0.0000 . 2 . . . B 104 LYS HB3 . 11594 2 1318 . 2 2 106 106 LYS HG2 H 1 1.6360 0.0000 . 2 . . . B 104 LYS HG2 . 11594 2 1319 . 2 2 106 106 LYS HG3 H 1 1.5930 0.0000 . 2 . . . B 104 LYS HG3 . 11594 2 1320 . 2 2 106 106 LYS HD2 H 1 1.8220 0.0000 . 2 . . . B 104 LYS HD2 . 11594 2 1321 . 2 2 106 106 LYS HE2 H 1 3.0910 0.0000 . 2 . . . B 104 LYS HE2 . 11594 2 1322 . 2 2 106 106 LYS C C 13 176.8080 0.0000 . 1 . . . B 104 LYS C . 11594 2 1323 . 2 2 106 106 LYS CA C 13 57.2320 0.0000 . 1 . . . B 104 LYS CA . 11594 2 1324 . 2 2 106 106 LYS CB C 13 33.4730 0.0000 . 1 . . . B 104 LYS CB . 11594 2 1325 . 2 2 106 106 LYS CG C 13 24.7800 0.0000 . 1 . . . B 104 LYS CG . 11594 2 1326 . 2 2 106 106 LYS CD C 13 29.4160 0.0000 . 1 . . . B 104 LYS CD . 11594 2 1327 . 2 2 106 106 LYS CE C 13 41.5860 0.0000 . 1 . . . B 104 LYS CE . 11594 2 1328 . 2 2 106 106 LYS N N 15 121.9690 0.0000 . 1 . . . B 104 LYS N . 11594 2 1329 . 2 2 107 107 ARG H H 1 8.6120 0.0000 . 1 . . . B 105 ARG H . 11594 2 1330 . 2 2 107 107 ARG HA H 1 4.3620 0.0000 . 1 . . . B 105 ARG HA . 11594 2 1331 . 2 2 107 107 ARG HB2 H 1 1.8340 0.0000 . 2 . . . B 105 ARG HB2 . 11594 2 1332 . 2 2 107 107 ARG HB3 H 1 1.7850 0.0000 . 2 . . . B 105 ARG HB3 . 11594 2 1333 . 2 2 107 107 ARG HG2 H 1 1.7720 0.0000 . 2 . . . B 105 ARG HG2 . 11594 2 1334 . 2 2 107 107 ARG HG3 H 1 1.6970 0.0000 . 2 . . . B 105 ARG HG3 . 11594 2 1335 . 2 2 107 107 ARG HD2 H 1 3.1500 0.0000 . 2 . . . B 105 ARG HD2 . 11594 2 1336 . 2 2 107 107 ARG HD3 H 1 3.0230 0.0000 . 2 . . . B 105 ARG HD3 . 11594 2 1337 . 2 2 107 107 ARG C C 13 176.3090 0.0000 . 1 . . . B 105 ARG C . 11594 2 1338 . 2 2 107 107 ARG CA C 13 56.0730 0.0000 . 1 . . . B 105 ARG CA . 11594 2 1339 . 2 2 107 107 ARG CB C 13 30.5750 0.0000 . 1 . . . B 105 ARG CB . 11594 2 1340 . 2 2 107 107 ARG CG C 13 27.0980 0.0000 . 1 . . . B 105 ARG CG . 11594 2 1341 . 2 2 107 107 ARG CD C 13 43.3240 0.0000 . 1 . . . B 105 ARG CD . 11594 2 1342 . 2 2 107 107 ARG N N 15 125.6930 0.0000 . 1 . . . B 105 ARG N . 11594 2 1343 . 2 2 108 108 LYS H H 1 8.4460 0.0000 . 1 . . . B 106 LYS H . 11594 2 1344 . 2 2 108 108 LYS HA H 1 4.3650 0.0000 . 1 . . . B 106 LYS HA . 11594 2 1345 . 2 2 108 108 LYS HB2 H 1 1.8960 0.0000 . 2 . . . B 106 LYS HB2 . 11594 2 1346 . 2 2 108 108 LYS HB3 H 1 1.7940 0.0000 . 2 . . . B 106 LYS HB3 . 11594 2 1347 . 2 2 108 108 LYS HG2 H 1 1.4820 0.0000 . 2 . . . B 106 LYS HG2 . 11594 2 1348 . 2 2 108 108 LYS HD2 H 1 1.7270 0.0000 . 2 . . . B 106 LYS HD2 . 11594 2 1349 . 2 2 108 108 LYS HE2 H 1 3.0390 0.0000 . 2 . . . B 106 LYS HE2 . 11594 2 1350 . 2 2 108 108 LYS C C 13 176.0210 0.0000 . 1 . . . B 106 LYS C . 11594 2 1351 . 2 2 108 108 LYS CA C 13 56.0730 0.0000 . 1 . . . B 106 LYS CA . 11594 2 1352 . 2 2 108 108 LYS CB C 13 33.4730 0.0000 . 1 . . . B 106 LYS CB . 11594 2 1353 . 2 2 108 108 LYS CG C 13 24.7800 0.0000 . 1 . . . B 106 LYS CG . 11594 2 1354 . 2 2 108 108 LYS CD C 13 28.8370 0.0000 . 1 . . . B 106 LYS CD . 11594 2 1355 . 2 2 108 108 LYS CE C 13 41.5860 0.0000 . 1 . . . B 106 LYS CE . 11594 2 1356 . 2 2 108 108 LYS N N 15 124.9230 0.0000 . 1 . . . B 106 LYS N . 11594 2 1357 . 2 2 109 109 ALA H H 1 8.3640 0.0000 . 1 . . . B 107 ALA H . 11594 2 1358 . 2 2 109 109 ALA HA H 1 4.3560 0.0000 . 1 . . . B 107 ALA HA . 11594 2 1359 . 2 2 109 109 ALA HB1 H 1 1.3910 0.0000 . 1 . . . B 107 ALA HB1 . 11594 2 1360 . 2 2 109 109 ALA HB2 H 1 1.3910 0.0000 . 1 . . . B 107 ALA HB1 . 11594 2 1361 . 2 2 109 109 ALA HB3 H 1 1.3910 0.0000 . 1 . . . B 107 ALA HB1 . 11594 2 1362 . 2 2 109 109 ALA C C 13 176.3950 0.0000 . 1 . . . B 107 ALA C . 11594 2 1363 . 2 2 109 109 ALA CA C 13 52.5960 0.0000 . 1 . . . B 107 ALA CA . 11594 2 1364 . 2 2 109 109 ALA CB C 13 19.3760 0.0000 . 1 . . . B 107 ALA CB . 11594 2 1365 . 2 2 109 109 ALA N N 15 127.2600 0.0000 . 1 . . . B 107 ALA N . 11594 2 1366 . 2 2 110 110 ASN H H 1 7.9490 0.0000 . 1 . . . B 108 ASN H . 11594 2 1367 . 2 2 110 110 ASN HA H 1 4.4550 0.0000 . 1 . . . B 108 ASN HA . 11594 2 1368 . 2 2 110 110 ASN HB2 H 1 2.8110 0.0000 . 2 . . . B 108 ASN HB2 . 11594 2 1369 . 2 2 110 110 ASN HB3 H 1 2.6780 0.0000 . 2 . . . B 108 ASN HB3 . 11594 2 1370 . 2 2 110 110 ASN HD21 H 1 7.4860 0.0000 . 2 . . . B 108 ASN HD21 . 11594 2 1371 . 2 2 110 110 ASN HD22 H 1 6.7800 0.0000 . 2 . . . B 108 ASN HD22 . 11594 2 1372 . 2 2 110 110 ASN C C 13 179.4200 0.0000 . 1 . . . B 108 ASN C . 11594 2 1373 . 2 2 110 110 ASN CA C 13 54.9140 0.0000 . 1 . . . B 108 ASN CA . 11594 2 1374 . 2 2 110 110 ASN CB C 13 40.4270 0.0000 . 1 . . . B 108 ASN CB . 11594 2 1375 . 2 2 110 110 ASN N N 15 124.4710 0.0000 . 1 . . . B 108 ASN N . 11594 2 1376 . 2 2 110 110 ASN ND2 N 15 113.7410 0.0000 . 1 . . . B 108 ASN ND2 . 11594 2 stop_ save_