data_11578 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11578 _Entry.Title ; Solution structure of the complex between p53 transactivation domain 2 and TFIIH p62 PH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-24 _Entry.Accession_date 2014-09-24 _Entry.Last_release_date 2014-10-01 _Entry.Original_release_date 2014-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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 . . . . 11578 2 Yoshifumi Nishimura . . . . 11578 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' . 11578 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN COMPLEX' . 11578 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 11578 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 497 11578 '15N chemical shifts' 116 11578 '1H chemical shifts' 911 11578 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 . . 2017-08-11 . original BMRB . 11578 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RUK 'BMRB Entry Tracking System' 11578 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11578 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/ja506351f _Citation.PubMed_ID 25216154 _Citation.Full_citation . _Citation.Title ; Extended String Binding Mode of the Phosphorylated Transactivation Domain of Tumor Suppressor p53 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM JACSAT _Citation.Journal_ISSN 1520-5126 _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 14143 _Citation.Page_last 14152 _Citation.Year 2014 _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 . . . . 11578 1 2 Yoshifumi Nishimura . . . . 11578 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11578 _Assembly.ID 1 _Assembly.Name 'complex between p53 transactivation domain 2 and TFIIH p62 PH domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $p53_TAD2 A . yes native no no . . . 11578 1 2 entity_2 2 $TFIIH_p62_PH_domain B . yes native no no . . . 11578 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p53_TAD2 _Entity.Sf_category entity _Entity.Sf_framecode p53_TAD2 _Entity.Entry_ID 11578 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p53_TAD2 _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 ; DDLMLXPDDIEQWFXEDPGP DE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'p53 transactivation domain 2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2724.623 _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 41 ASP . 11578 1 2 42 ASP . 11578 1 3 43 LEU . 11578 1 4 44 MET . 11578 1 5 45 LEU . 11578 1 6 46 SEP . 11578 1 7 47 PRO . 11578 1 8 48 ASP . 11578 1 9 49 ASP . 11578 1 10 50 ILE . 11578 1 11 51 GLU . 11578 1 12 52 GLN . 11578 1 13 53 TRP . 11578 1 14 54 PHE . 11578 1 15 55 TPO . 11578 1 16 56 GLU . 11578 1 17 57 ASP . 11578 1 18 58 PRO . 11578 1 19 59 GLY . 11578 1 20 60 PRO . 11578 1 21 61 ASP . 11578 1 22 62 GLU . 11578 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 . ASP 1 1 11578 1 . ASP 2 2 11578 1 . LEU 3 3 11578 1 . MET 4 4 11578 1 . LEU 5 5 11578 1 . SEP 6 6 11578 1 . PRO 7 7 11578 1 . ASP 8 8 11578 1 . ASP 9 9 11578 1 . ILE 10 10 11578 1 . GLU 11 11 11578 1 . GLN 12 12 11578 1 . TRP 13 13 11578 1 . PHE 14 14 11578 1 . TPO 15 15 11578 1 . GLU 16 16 11578 1 . ASP 17 17 11578 1 . PRO 18 18 11578 1 . GLY 19 19 11578 1 . PRO 20 20 11578 1 . ASP 21 21 11578 1 . GLU 22 22 11578 1 stop_ save_ save_TFIIH_p62_PH_domain _Entity.Sf_category entity _Entity.Sf_framecode TFIIH_p62_PH_domain _Entity.Entry_ID 11578 _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 'Residues 1,2 represent a non-native remainder of an affinity tag' _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 'TFIIH p62 PH domain' _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 . GLY . 11578 2 2 . SER . 11578 2 3 1 MET . 11578 2 4 2 ALA . 11578 2 5 3 THR . 11578 2 6 4 SER . 11578 2 7 5 SER . 11578 2 8 6 GLU . 11578 2 9 7 GLU . 11578 2 10 8 VAL . 11578 2 11 9 LEU . 11578 2 12 10 LEU . 11578 2 13 11 ILE . 11578 2 14 12 VAL . 11578 2 15 13 LYS . 11578 2 16 14 LYS . 11578 2 17 15 VAL . 11578 2 18 16 ARG . 11578 2 19 17 GLN . 11578 2 20 18 LYS . 11578 2 21 19 LYS . 11578 2 22 20 GLN . 11578 2 23 21 ASP . 11578 2 24 22 GLY . 11578 2 25 23 ALA . 11578 2 26 24 LEU . 11578 2 27 25 TYR . 11578 2 28 26 LEU . 11578 2 29 27 MET . 11578 2 30 28 ALA . 11578 2 31 29 GLU . 11578 2 32 30 ARG . 11578 2 33 31 ILE . 11578 2 34 32 ALA . 11578 2 35 33 TRP . 11578 2 36 34 ALA . 11578 2 37 35 PRO . 11578 2 38 36 GLU . 11578 2 39 37 GLY . 11578 2 40 38 LYS . 11578 2 41 39 ASP . 11578 2 42 40 ARG . 11578 2 43 41 PHE . 11578 2 44 42 THR . 11578 2 45 43 ILE . 11578 2 46 44 SER . 11578 2 47 45 HIS . 11578 2 48 46 MET . 11578 2 49 47 TYR . 11578 2 50 48 ALA . 11578 2 51 49 ASP . 11578 2 52 50 ILE . 11578 2 53 51 LYS . 11578 2 54 52 CYS . 11578 2 55 53 GLN . 11578 2 56 54 LYS . 11578 2 57 55 ILE . 11578 2 58 56 SER . 11578 2 59 57 PRO . 11578 2 60 58 GLU . 11578 2 61 59 GLY . 11578 2 62 60 LYS . 11578 2 63 61 ALA . 11578 2 64 62 LYS . 11578 2 65 63 ILE . 11578 2 66 64 GLN . 11578 2 67 65 LEU . 11578 2 68 66 GLN . 11578 2 69 67 LEU . 11578 2 70 68 VAL . 11578 2 71 69 LEU . 11578 2 72 70 HIS . 11578 2 73 71 ALA . 11578 2 74 72 GLY . 11578 2 75 73 ASP . 11578 2 76 74 THR . 11578 2 77 75 THR . 11578 2 78 76 ASN . 11578 2 79 77 PHE . 11578 2 80 78 HIS . 11578 2 81 79 PHE . 11578 2 82 80 SER . 11578 2 83 81 ASN . 11578 2 84 82 GLU . 11578 2 85 83 SER . 11578 2 86 84 THR . 11578 2 87 85 ALA . 11578 2 88 86 VAL . 11578 2 89 87 LYS . 11578 2 90 88 GLU . 11578 2 91 89 ARG . 11578 2 92 90 ASP . 11578 2 93 91 ALA . 11578 2 94 92 VAL . 11578 2 95 93 LYS . 11578 2 96 94 ASP . 11578 2 97 95 LEU . 11578 2 98 96 LEU . 11578 2 99 97 GLN . 11578 2 100 98 GLN . 11578 2 101 99 LEU . 11578 2 102 100 LEU . 11578 2 103 101 PRO . 11578 2 104 102 LYS . 11578 2 105 103 PHE . 11578 2 106 104 LYS . 11578 2 107 105 ARG . 11578 2 108 106 LYS . 11578 2 109 107 ALA . 11578 2 110 108 ASN . 11578 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 11578 2 . SER 2 2 11578 2 . MET 3 3 11578 2 . ALA 4 4 11578 2 . THR 5 5 11578 2 . SER 6 6 11578 2 . SER 7 7 11578 2 . GLU 8 8 11578 2 . GLU 9 9 11578 2 . VAL 10 10 11578 2 . LEU 11 11 11578 2 . LEU 12 12 11578 2 . ILE 13 13 11578 2 . VAL 14 14 11578 2 . LYS 15 15 11578 2 . LYS 16 16 11578 2 . VAL 17 17 11578 2 . ARG 18 18 11578 2 . GLN 19 19 11578 2 . LYS 20 20 11578 2 . LYS 21 21 11578 2 . GLN 22 22 11578 2 . ASP 23 23 11578 2 . GLY 24 24 11578 2 . ALA 25 25 11578 2 . LEU 26 26 11578 2 . TYR 27 27 11578 2 . LEU 28 28 11578 2 . MET 29 29 11578 2 . ALA 30 30 11578 2 . GLU 31 31 11578 2 . ARG 32 32 11578 2 . ILE 33 33 11578 2 . ALA 34 34 11578 2 . TRP 35 35 11578 2 . ALA 36 36 11578 2 . PRO 37 37 11578 2 . GLU 38 38 11578 2 . GLY 39 39 11578 2 . LYS 40 40 11578 2 . ASP 41 41 11578 2 . ARG 42 42 11578 2 . PHE 43 43 11578 2 . THR 44 44 11578 2 . ILE 45 45 11578 2 . SER 46 46 11578 2 . HIS 47 47 11578 2 . MET 48 48 11578 2 . TYR 49 49 11578 2 . ALA 50 50 11578 2 . ASP 51 51 11578 2 . ILE 52 52 11578 2 . LYS 53 53 11578 2 . CYS 54 54 11578 2 . GLN 55 55 11578 2 . LYS 56 56 11578 2 . ILE 57 57 11578 2 . SER 58 58 11578 2 . PRO 59 59 11578 2 . GLU 60 60 11578 2 . GLY 61 61 11578 2 . LYS 62 62 11578 2 . ALA 63 63 11578 2 . LYS 64 64 11578 2 . ILE 65 65 11578 2 . GLN 66 66 11578 2 . LEU 67 67 11578 2 . GLN 68 68 11578 2 . LEU 69 69 11578 2 . VAL 70 70 11578 2 . LEU 71 71 11578 2 . HIS 72 72 11578 2 . ALA 73 73 11578 2 . GLY 74 74 11578 2 . ASP 75 75 11578 2 . THR 76 76 11578 2 . THR 77 77 11578 2 . ASN 78 78 11578 2 . PHE 79 79 11578 2 . HIS 80 80 11578 2 . PHE 81 81 11578 2 . SER 82 82 11578 2 . ASN 83 83 11578 2 . GLU 84 84 11578 2 . SER 85 85 11578 2 . THR 86 86 11578 2 . ALA 87 87 11578 2 . VAL 88 88 11578 2 . LYS 89 89 11578 2 . GLU 90 90 11578 2 . ARG 91 91 11578 2 . ASP 92 92 11578 2 . ALA 93 93 11578 2 . VAL 94 94 11578 2 . LYS 95 95 11578 2 . ASP 96 96 11578 2 . LEU 97 97 11578 2 . LEU 98 98 11578 2 . GLN 99 99 11578 2 . GLN 100 100 11578 2 . LEU 101 101 11578 2 . LEU 102 102 11578 2 . PRO 103 103 11578 2 . LYS 104 104 11578 2 . PHE 105 105 11578 2 . LYS 106 106 11578 2 . ARG 107 107 11578 2 . LYS 108 108 11578 2 . ALA 109 109 11578 2 . ASN 110 110 11578 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 11578 _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 $p53_TAD2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 11578 1 2 2 $TFIIH_p62_PH_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 11578 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 11578 _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 $p53_TAD2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 11578 1 2 2 $TFIIH_p62_PH_domain . 'recombinant technology' . . . . . . . . . . . . . . . . 11578 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 11578 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 11578 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 11578 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11578 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 11578 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 11578 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 11578 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 11578 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11578 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 11578 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 11578 SEP CA CA CA CA . C . . S 0 . . . 1 no no . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 11578 SEP CB CB CB CB . C . . N 0 . . . 1 no no . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 11578 SEP OG OG OG OG . O . . N 0 . . . 1 no no . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 11578 SEP C C C C . C . . N 0 . . . 1 no no . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 11578 SEP O O O O . O . . N 0 . . . 1 no no . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 11578 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 11578 SEP P P P P . P . . N 0 . . . 1 no no . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 11578 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 11578 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 11578 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 11578 SEP H H H H . H . . N 0 . . . 1 no no . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 11578 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 11578 SEP HA HA HA HA . H . . N 0 . . . 1 no no . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 11578 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 11578 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 11578 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 11578 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 11578 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 11578 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 11578 SEP 2 . SING N H no N 2 . 11578 SEP 3 . SING N H2 no N 3 . 11578 SEP 4 . SING CA CB no N 4 . 11578 SEP 5 . SING CA C no N 5 . 11578 SEP 6 . SING CA HA no N 6 . 11578 SEP 7 . SING CB OG no N 7 . 11578 SEP 8 . SING CB HB2 no N 8 . 11578 SEP 9 . SING CB HB3 no N 9 . 11578 SEP 10 . SING OG P no N 10 . 11578 SEP 11 . DOUB C O no N 11 . 11578 SEP 12 . SING C OXT no N 12 . 11578 SEP 13 . SING OXT HXT no N 13 . 11578 SEP 14 . DOUB P O1P no N 14 . 11578 SEP 15 . SING P O2P no N 15 . 11578 SEP 16 . SING P O3P no N 16 . 11578 SEP 17 . SING O2P HOP2 no N 17 . 11578 SEP 18 . SING O3P HOP3 no N 18 . 11578 SEP stop_ save_ save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 11578 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID THR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FMO _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 11578 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 11578 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11578 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 11578 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 11578 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 11578 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 11578 TPO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11578 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 11578 TPO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 11578 TPO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 11578 TPO CB CB CB CB . C . . R 0 . . . 1 no no . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 11578 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 11578 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 no no . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 11578 TPO P P P P . P . . N 0 . . . 1 no no . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 11578 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 11578 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 11578 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 11578 TPO C C C C . C . . N 0 . . . 1 no no . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 11578 TPO O O O O . O . . N 0 . . . 1 no no . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 11578 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 11578 TPO H H H H . H . . N 0 . . . 1 no no . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 11578 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 11578 TPO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 11578 TPO HB HB HB HB . H . . N 0 . . . 1 no no . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 11578 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 no no . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 11578 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 no no . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 11578 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 no no . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 11578 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 11578 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 11578 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 11578 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 11578 TPO 2 . SING N H no N 2 . 11578 TPO 3 . SING N H2 no N 3 . 11578 TPO 4 . SING CA CB no N 4 . 11578 TPO 5 . SING CA C no N 5 . 11578 TPO 6 . SING CA HA no N 6 . 11578 TPO 7 . SING CB CG2 no N 7 . 11578 TPO 8 . SING CB OG1 no N 8 . 11578 TPO 9 . SING CB HB no N 9 . 11578 TPO 10 . SING CG2 HG21 no N 10 . 11578 TPO 11 . SING CG2 HG22 no N 11 . 11578 TPO 12 . SING CG2 HG23 no N 12 . 11578 TPO 13 . SING OG1 P no N 13 . 11578 TPO 14 . DOUB P O1P no N 14 . 11578 TPO 15 . SING P O2P no N 15 . 11578 TPO 16 . SING P O3P no N 16 . 11578 TPO 17 . SING O2P HOP2 no N 17 . 11578 TPO 18 . SING O3P HOP3 no N 18 . 11578 TPO 19 . DOUB C O no N 19 . 11578 TPO 20 . SING C OXT no N 20 . 11578 TPO 21 . SING OXT HXT no N 21 . 11578 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11578 _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 'TFIIH p62 PH domain' '[U-99% 13C; U-99% 15N]' . . 2 $TFIIH_p62_PH_domain . protein 0.4 . . mM . . . . 11578 1 2 'p53 TAD2' 'natural abundance' . . 1 $p53_TAD2 . protein 0.48 . . mM . . . . 11578 1 3 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11578 1 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 11578 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11578 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11578 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11578 _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 'TFIIH p62 PH domain' '[U-99% 13C; U-99% 15N]' . . 2 $TFIIH_p62_PH_domain . protein 0.4 . . mM . . . . 11578 2 2 'p53 TAD2' 'natural abundance' . . 1 $p53_TAD2 . protein 0.48 . . mM . . . . 11578 2 3 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11578 2 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 11578 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 11578 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11578 _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' 20 . mM 11578 1 pH 6.8 . pH 11578 1 pressure 1 . atm 11578 1 temperature 305 . K 11578 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 11578 _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' . . 11578 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11578 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11578 _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' . . 11578 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11578 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11578 _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' . . 11578 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11578 3 'structure solution' 11578 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 11578 _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' . . 11578 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11578 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 11578 _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' . . 11578 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11578 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 11578 _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 11578 _NMR_spectrometer.ID 2 _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 11578 _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 . . . 11578 1 2 spectrometer_2 Bruker Avance . 600 . . . 11578 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 11578 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11578 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11578 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11578 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 8 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11578 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11578 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 11578 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11578 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11578 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11578 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 11578 _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 9 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11578 1 10 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 11578 1 13 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11578 1 14 '2D 1H-1H NOESY' 2 $sample_2 isotropic 11578 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.2050 0.0000 . 1 . . . A 41 ASP HA . 11578 1 2 . 1 1 1 1 ASP HB2 H 1 2.8080 0.0000 . 2 . . . A 41 ASP HB2 . 11578 1 3 . 1 1 1 1 ASP HB3 H 1 2.7010 0.0000 . 2 . . . A 41 ASP HB3 . 11578 1 4 . 1 1 2 2 ASP HA H 1 4.6530 0.0000 . 1 . . . A 42 ASP HA . 11578 1 5 . 1 1 2 2 ASP HB2 H 1 2.7180 0.0000 . 2 . . . A 42 ASP HB2 . 11578 1 6 . 1 1 2 2 ASP HB3 H 1 2.5560 0.0000 . 2 . . . A 42 ASP HB3 . 11578 1 7 . 1 1 3 3 LEU H H 1 8.2730 0.0000 . 1 . . . A 43 LEU H . 11578 1 8 . 1 1 3 3 LEU HA H 1 4.3120 0.0000 . 1 . . . A 43 LEU HA . 11578 1 9 . 1 1 3 3 LEU HB2 H 1 1.6660 0.0000 . 2 . . . A 43 LEU HB2 . 11578 1 10 . 1 1 3 3 LEU HB3 H 1 1.5720 0.0000 . 2 . . . A 43 LEU HB3 . 11578 1 11 . 1 1 3 3 LEU HG H 1 1.6050 0.0000 . 1 . . . A 43 LEU HG . 11578 1 12 . 1 1 3 3 LEU HD11 H 1 0.9270 0.0000 . 2 . . . A 43 LEU HD11 . 11578 1 13 . 1 1 3 3 LEU HD12 H 1 0.9270 0.0000 . 2 . . . A 43 LEU HD12 . 11578 1 14 . 1 1 3 3 LEU HD13 H 1 0.9270 0.0000 . 2 . . . A 43 LEU HD13 . 11578 1 15 . 1 1 3 3 LEU HD21 H 1 0.8690 0.0000 . 2 . . . A 43 LEU HD21 . 11578 1 16 . 1 1 3 3 LEU HD22 H 1 0.8690 0.0000 . 2 . . . A 43 LEU HD22 . 11578 1 17 . 1 1 3 3 LEU HD23 H 1 0.8690 0.0000 . 2 . . . A 43 LEU HD23 . 11578 1 18 . 1 1 4 4 MET H H 1 8.3430 0.0000 . 1 . . . A 44 MET H . 11578 1 19 . 1 1 4 4 MET HA H 1 4.4710 0.0000 . 1 . . . A 44 MET HA . 11578 1 20 . 1 1 4 4 MET HB2 H 1 2.0610 0.0000 . 2 . . . A 44 MET HB2 . 11578 1 21 . 1 1 4 4 MET HB3 H 1 2.0090 0.0000 . 2 . . . A 44 MET HB3 . 11578 1 22 . 1 1 4 4 MET HG2 H 1 2.5710 0.0000 . 2 . . . A 44 MET HG2 . 11578 1 23 . 1 1 4 4 MET HG3 H 1 2.5060 0.0000 . 2 . . . A 44 MET HG3 . 11578 1 24 . 1 1 5 5 LEU H H 1 8.1760 0.0000 . 1 . . . A 45 LEU H . 11578 1 25 . 1 1 5 5 LEU HA H 1 4.4040 0.0000 . 1 . . . A 45 LEU HA . 11578 1 26 . 1 1 5 5 LEU HB2 H 1 1.6190 0.0000 . 2 . . . A 45 LEU HB2 . 11578 1 27 . 1 1 5 5 LEU HG H 1 1.5580 0.0000 . 1 . . . A 45 LEU HG . 11578 1 28 . 1 1 5 5 LEU HD11 H 1 0.9160 0.0000 . 2 . . . A 45 LEU HD11 . 11578 1 29 . 1 1 5 5 LEU HD12 H 1 0.9160 0.0000 . 2 . . . A 45 LEU HD12 . 11578 1 30 . 1 1 5 5 LEU HD13 H 1 0.9160 0.0000 . 2 . . . A 45 LEU HD13 . 11578 1 31 . 1 1 5 5 LEU HD21 H 1 0.8610 0.0000 . 2 . . . A 45 LEU HD21 . 11578 1 32 . 1 1 5 5 LEU HD22 H 1 0.8610 0.0000 . 2 . . . A 45 LEU HD21 . 11578 1 33 . 1 1 5 5 LEU HD23 H 1 0.8610 0.0000 . 2 . . . A 45 LEU HD21 . 11578 1 34 . 1 1 6 6 SEP H H 1 8.7450 0.0000 . 1 . . . A 46 SEP H . 11578 1 35 . 1 1 6 6 SEP HA H 1 4.0670 0.0000 . 1 . . . A 46 SEP HA . 11578 1 36 . 1 1 6 6 SEP HB3 H 1 3.9700 0.0000 . 2 . . . A 46 SEP HB3 . 11578 1 37 . 1 1 7 7 PRO HA H 1 4.3890 0.0000 . 1 . . . A 47 PRO HA . 11578 1 38 . 1 1 7 7 PRO HB2 H 1 1.9260 0.0000 . 2 . . . A 47 PRO HB2 . 11578 1 39 . 1 1 7 7 PRO HB3 H 1 2.2740 0.0000 . 2 . . . A 47 PRO HB3 . 11578 1 40 . 1 1 7 7 PRO HG2 H 1 2.0160 0.0000 . 2 . . . A 47 PRO HG2 . 11578 1 41 . 1 1 7 7 PRO HG3 H 1 1.9980 0.0000 . 2 . . . A 47 PRO HG3 . 11578 1 42 . 1 1 7 7 PRO HD2 H 1 3.8130 0.0000 . 2 . . . A 47 PRO HD2 . 11578 1 43 . 1 1 7 7 PRO HD3 H 1 3.7320 0.0000 . 2 . . . A 47 PRO HD3 . 11578 1 44 . 1 1 8 8 ASP H H 1 8.3540 0.0000 . 1 . . . A 48 ASP H . 11578 1 45 . 1 1 8 8 ASP HA H 1 4.5660 0.0000 . 1 . . . A 48 ASP HA . 11578 1 46 . 1 1 8 8 ASP HB2 H 1 2.6610 0.0000 . 2 . . . A 48 ASP HB2 . 11578 1 47 . 1 1 8 8 ASP HB3 H 1 2.5840 0.0000 . 2 . . . A 48 ASP HB3 . 11578 1 48 . 1 1 9 9 ASP H H 1 8.1530 0.0000 . 1 . . . A 49 ASP H . 11578 1 49 . 1 1 9 9 ASP HA H 1 4.6090 0.0000 . 1 . . . A 49 ASP HA . 11578 1 50 . 1 1 9 9 ASP HB2 H 1 2.6550 0.0000 . 2 . . . A 49 ASP HB2 . 11578 1 51 . 1 1 9 9 ASP HB3 H 1 2.5770 0.0000 . 2 . . . A 49 ASP HB3 . 11578 1 52 . 1 1 10 10 ILE H H 1 7.9930 0.0000 . 1 . . . A 50 ILE H . 11578 1 53 . 1 1 10 10 ILE HA H 1 4.0900 0.0000 . 1 . . . A 50 ILE HA . 11578 1 54 . 1 1 10 10 ILE HB H 1 1.8220 0.0000 . 1 . . . A 50 ILE HB . 11578 1 55 . 1 1 10 10 ILE HG12 H 1 1.3850 0.0000 . 2 . . . A 50 ILE HG12 . 11578 1 56 . 1 1 10 10 ILE HG13 H 1 1.1210 0.0000 . 2 . . . A 50 ILE HG13 . 11578 1 57 . 1 1 10 10 ILE HG21 H 1 0.8240 0.0000 . 1 . . . A 50 ILE HG21 . 11578 1 58 . 1 1 10 10 ILE HG22 H 1 0.8240 0.0000 . 1 . . . A 50 ILE HG22 . 11578 1 59 . 1 1 10 10 ILE HG23 H 1 0.8240 0.0000 . 1 . . . A 50 ILE HG23 . 11578 1 60 . 1 1 10 10 ILE HD11 H 1 0.7850 0.0000 . 1 . . . A 50 ILE HD11 . 11578 1 61 . 1 1 10 10 ILE HD12 H 1 0.7850 0.0000 . 1 . . . A 50 ILE HD12 . 11578 1 62 . 1 1 10 10 ILE HD13 H 1 0.7850 0.0000 . 1 . . . A 50 ILE HD13 . 11578 1 63 . 1 1 11 11 GLU H H 1 8.3560 0.0000 . 1 . . . A 51 GLU H . 11578 1 64 . 1 1 11 11 GLU HA H 1 4.1150 0.0000 . 1 . . . A 51 GLU HA . 11578 1 65 . 1 1 11 11 GLU HB2 H 1 1.8300 0.0000 . 2 . . . A 51 GLU HB2 . 11578 1 66 . 1 1 11 11 GLU HB3 H 1 1.7790 0.0000 . 2 . . . A 51 GLU HB3 . 11578 1 67 . 1 1 11 11 GLU HG2 H 1 2.1700 0.0000 . 2 . . . A 51 GLU HG2 . 11578 1 68 . 1 1 11 11 GLU HG3 H 1 2.0440 0.0000 . 2 . . . A 51 GLU HG3 . 11578 1 69 . 1 1 12 12 GLN H H 1 7.9300 0.0000 . 1 . . . A 52 GLN H . 11578 1 70 . 1 1 12 12 GLN HA H 1 4.2540 0.0000 . 1 . . . A 52 GLN HA . 11578 1 71 . 1 1 12 12 GLN HB2 H 1 1.8020 0.0000 . 2 . . . A 52 GLN HB2 . 11578 1 72 . 1 1 12 12 GLN HB3 H 1 1.7140 0.0000 . 2 . . . A 52 GLN HB3 . 11578 1 73 . 1 1 12 12 GLN HG2 H 1 2.1010 0.0000 . 2 . . . A 52 GLN HG2 . 11578 1 74 . 1 1 12 12 GLN HE21 H 1 6.7850 0.0000 . 2 . . . A 52 GLN HE21 . 11578 1 75 . 1 1 12 12 GLN HE22 H 1 7.4110 0.0000 . 2 . . . A 52 GLN HE22 . 11578 1 76 . 1 1 13 13 TRP H H 1 8.1050 0.0000 . 1 . . . A 53 TRP H . 11578 1 77 . 1 1 13 13 TRP HA H 1 4.7210 0.0000 . 1 . . . A 53 TRP HA . 11578 1 78 . 1 1 13 13 TRP HB2 H 1 3.0630 0.0000 . 2 . . . A 53 TRP HB2 . 11578 1 79 . 1 1 13 13 TRP HB3 H 1 2.9270 0.0000 . 2 . . . A 53 TRP HB3 . 11578 1 80 . 1 1 13 13 TRP HD1 H 1 7.0940 0.0000 . 1 . . . A 53 TRP HD1 . 11578 1 81 . 1 1 13 13 TRP HE1 H 1 10.1780 0.0000 . 1 . . . A 53 TRP HE1 . 11578 1 82 . 1 1 13 13 TRP HE3 H 1 7.1640 0.0000 . 1 . . . A 53 TRP HE3 . 11578 1 83 . 1 1 13 13 TRP HZ2 H 1 7.2610 0.0000 . 1 . . . A 53 TRP HZ2 . 11578 1 84 . 1 1 13 13 TRP HZ3 H 1 7.2410 0.0000 . 1 . . . A 53 TRP HZ3 . 11578 1 85 . 1 1 13 13 TRP HH2 H 1 6.8710 0.0000 . 1 . . . A 53 TRP HH2 . 11578 1 86 . 1 1 14 14 PHE HA H 1 4.7790 0.0000 . 1 . . . A 54 PHE HA . 11578 1 87 . 1 1 14 14 PHE HB2 H 1 3.0720 0.0000 . 2 . . . A 54 PHE HB2 . 11578 1 88 . 1 1 14 14 PHE HB3 H 1 2.8880 0.0000 . 2 . . . A 54 PHE HB3 . 11578 1 89 . 1 1 14 14 PHE HD1 H 1 7.1650 0.0000 . 3 . . . A 54 PHE HD1 . 11578 1 90 . 1 1 14 14 PHE HE1 H 1 7.2530 0.0000 . 3 . . . A 54 PHE HE1 . 11578 1 91 . 1 1 14 14 PHE HZ H 1 7.2270 0.0000 . 1 . . . A 54 PHE HZ . 11578 1 92 . 1 1 15 15 TPO HA H 1 4.2410 0.0000 . 1 . . . A 55 TPO HA . 11578 1 93 . 1 1 15 15 TPO HB H 1 4.3370 0.0000 . 1 . . . A 55 TPO HB . 11578 1 94 . 1 1 15 15 TPO HG21 H 1 1.2590 0.0000 . 1 . . . A 55 TPO HG21 . 11578 1 95 . 1 1 16 16 GLU H H 1 8.4760 0.0000 . 1 . . . A 56 GLU H . 11578 1 96 . 1 1 16 16 GLU HA H 1 4.3310 0.0000 . 1 . . . A 56 GLU HA . 11578 1 97 . 1 1 16 16 GLU HB2 H 1 2.0280 0.0000 . 2 . . . A 56 GLU HB2 . 11578 1 98 . 1 1 16 16 GLU HB3 H 1 1.8900 0.0000 . 2 . . . A 56 GLU HB3 . 11578 1 99 . 1 1 16 16 GLU HG2 H 1 2.2050 0.0000 . 2 . . . A 56 GLU HG2 . 11578 1 100 . 1 1 17 17 ASP H H 1 8.5470 0.0000 . 1 . . . A 57 ASP H . 11578 1 101 . 1 1 17 17 ASP HA H 1 4.8040 0.0000 . 1 . . . A 57 ASP HA . 11578 1 102 . 1 1 17 17 ASP HB2 H 1 2.7300 0.0000 . 2 . . . A 57 ASP HB2 . 11578 1 103 . 1 1 17 17 ASP HB3 H 1 2.5500 0.0000 . 2 . . . A 57 ASP HB3 . 11578 1 104 . 1 1 18 18 PRO HA H 1 4.4960 0.0000 . 1 . . . A 58 PRO HA . 11578 1 105 . 1 1 18 18 PRO HB3 H 1 2.2810 0.0000 . 2 . . . A 58 PRO HB3 . 11578 1 106 . 1 1 18 18 PRO HG2 H 1 2.0430 0.0000 . 2 . . . A 58 PRO HG2 . 11578 1 107 . 1 1 18 18 PRO HD2 H 1 3.8330 0.0000 . 2 . . . A 58 PRO HD2 . 11578 1 108 . 1 1 18 18 PRO HD3 H 1 3.8180 0.0000 . 2 . . . A 58 PRO HD3 . 11578 1 109 . 1 1 19 19 GLY H H 1 8.3550 0.0000 . 1 . . . A 59 GLY H . 11578 1 110 . 1 1 19 19 GLY HA2 H 1 4.0860 0.0000 . 2 . . . A 59 GLY HA2 . 11578 1 111 . 1 1 20 20 PRO HA H 1 4.4520 0.0000 . 1 . . . A 60 PRO HA . 11578 1 112 . 1 1 20 20 PRO HB2 H 1 2.2670 0.0000 . 2 . . . A 60 PRO HB2 . 11578 1 113 . 1 1 20 20 PRO HB3 H 1 2.2710 0.0000 . 2 . . . A 60 PRO HB3 . 11578 1 114 . 1 1 20 20 PRO HG2 H 1 1.9950 0.0000 . 2 . . . A 60 PRO HG2 . 11578 1 115 . 1 1 20 20 PRO HD2 H 1 3.6330 0.0000 . 2 . . . A 60 PRO HD2 . 11578 1 116 . 1 1 20 20 PRO HD3 H 1 3.6030 0.0000 . 2 . . . A 60 PRO HD3 . 11578 1 117 . 1 1 21 21 ASP H H 1 8.4480 0.0000 . 1 . . . A 61 ASP H . 11578 1 118 . 1 1 21 21 ASP HA H 1 4.6120 0.0000 . 1 . . . A 61 ASP HA . 11578 1 119 . 1 1 21 21 ASP HB2 H 1 2.7460 0.0000 . 2 . . . A 61 ASP HB2 . 11578 1 120 . 1 1 21 21 ASP HB3 H 1 2.5820 0.0000 . 2 . . . A 61 ASP HB3 . 11578 1 121 . 1 1 22 22 GLU H H 1 7.7790 0.0000 . 1 . . . A 62 GLU H . 11578 1 122 . 1 1 22 22 GLU HA H 1 4.1180 0.0000 . 1 . . . A 62 GLU HA . 11578 1 123 . 1 1 22 22 GLU HB2 H 1 2.0330 0.0000 . 2 . . . A 62 GLU HB2 . 11578 1 124 . 1 1 22 22 GLU HB3 H 1 1.8690 0.0000 . 2 . . . A 62 GLU HB3 . 11578 1 125 . 1 1 22 22 GLU HG2 H 1 2.1690 0.0000 . 2 . . . A 62 GLU HG2 . 11578 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 11578 _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 11578 2 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11578 2 4 '3D HNCO' 1 $sample_1 isotropic 11578 2 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11578 2 6 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11578 2 7 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 11578 2 8 '3D HNHB' 1 $sample_1 isotropic 11578 2 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11578 2 12 '3D 1H-13C NOESY' 2 $sample_2 isotropic 11578 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 4.3730 0.0000 . 1 . . . B 1 MET HA . 11578 2 2 . 2 2 3 3 MET HB2 H 1 1.8710 0.0000 . 2 . . . B 1 MET HB2 . 11578 2 3 . 2 2 3 3 MET HB3 H 1 1.8370 0.0000 . 2 . . . B 1 MET HB3 . 11578 2 4 . 2 2 3 3 MET HG2 H 1 2.3590 0.0000 . 2 . . . B 1 MET HG2 . 11578 2 5 . 2 2 3 3 MET HG3 H 1 2.3070 0.0000 . 2 . . . B 1 MET HG3 . 11578 2 6 . 2 2 3 3 MET C C 13 175.9250 0.0000 . 1 . . . B 1 MET C . 11578 2 7 . 2 2 3 3 MET CA C 13 55.4940 0.0000 . 1 . . . B 1 MET CA . 11578 2 8 . 2 2 3 3 MET CB C 13 32.3130 0.0000 . 1 . . . B 1 MET CB . 11578 2 9 . 2 2 3 3 MET CG C 13 31.7330 0.0000 . 1 . . . B 1 MET CG . 11578 2 10 . 2 2 3 3 MET N N 15 122.9720 0.0000 . 1 . . . B 1 MET N . 11578 2 11 . 2 2 4 4 ALA H H 1 8.2400 0.0000 . 1 . . . B 2 ALA H . 11578 2 12 . 2 2 4 4 ALA HA H 1 4.3580 0.0000 . 1 . . . B 2 ALA HA . 11578 2 13 . 2 2 4 4 ALA HB1 H 1 1.3620 0.0000 . 1 . . . B 2 ALA HB1 . 11578 2 14 . 2 2 4 4 ALA HB2 H 1 1.3620 0.0000 . 1 . . . B 2 ALA HB2 . 11578 2 15 . 2 2 4 4 ALA HB3 H 1 1.3620 0.0000 . 1 . . . B 2 ALA HB3 . 11578 2 16 . 2 2 4 4 ALA C C 13 177.8270 0.0000 . 1 . . . B 2 ALA C . 11578 2 17 . 2 2 4 4 ALA CA C 13 52.5970 0.0000 . 1 . . . B 2 ALA CA . 11578 2 18 . 2 2 4 4 ALA CB C 13 18.9740 0.0000 . 1 . . . B 2 ALA CB . 11578 2 19 . 2 2 4 4 ALA N N 15 125.7160 0.0000 . 1 . . . B 2 ALA N . 11578 2 20 . 2 2 5 5 THR H H 1 8.1270 0.0000 . 1 . . . B 3 THR H . 11578 2 21 . 2 2 5 5 THR HA H 1 4.3520 0.0000 . 1 . . . B 3 THR HA . 11578 2 22 . 2 2 5 5 THR HB H 1 4.3170 0.0000 . 1 . . . B 3 THR HB . 11578 2 23 . 2 2 5 5 THR HG21 H 1 1.1540 0.0000 . 1 . . . B 3 THR HG21 . 11578 2 24 . 2 2 5 5 THR HG22 H 1 1.1540 0.0000 . 1 . . . B 3 THR HG22 . 11578 2 25 . 2 2 5 5 THR HG23 H 1 1.1540 0.0000 . 1 . . . B 3 THR HG23 . 11578 2 26 . 2 2 5 5 THR C C 13 174.8140 0.0000 . 1 . . . B 3 THR C . 11578 2 27 . 2 2 5 5 THR CA C 13 61.3000 0.0000 . 1 . . . B 3 THR CA . 11578 2 28 . 2 2 5 5 THR CB C 13 69.4130 0.0000 . 1 . . . B 3 THR CB . 11578 2 29 . 2 2 5 5 THR CG2 C 13 21.8710 0.0000 . 1 . . . B 3 THR CG2 . 11578 2 30 . 2 2 5 5 THR N N 15 113.3880 0.0000 . 1 . . . B 3 THR N . 11578 2 31 . 2 2 6 6 SER H H 1 8.2800 0.0000 . 1 . . . B 4 SER H . 11578 2 32 . 2 2 6 6 SER HA H 1 4.5130 0.0000 . 1 . . . B 4 SER HA . 11578 2 33 . 2 2 6 6 SER HB2 H 1 3.8620 0.0000 . 2 . . . B 4 SER HB2 . 11578 2 34 . 2 2 6 6 SER HB3 H 1 3.8410 0.0000 . 2 . . . B 4 SER HB3 . 11578 2 35 . 2 2 6 6 SER C C 13 174.7180 0.0000 . 1 . . . B 4 SER C . 11578 2 36 . 2 2 6 6 SER CA C 13 58.3920 0.0000 . 1 . . . B 4 SER CA . 11578 2 37 . 2 2 6 6 SER CB C 13 63.6180 0.0000 . 1 . . . B 4 SER CB . 11578 2 38 . 2 2 6 6 SER N N 15 118.0460 0.0000 . 1 . . . B 4 SER N . 11578 2 39 . 2 2 7 7 SER H H 1 8.3340 0.0000 . 1 . . . B 5 SER H . 11578 2 40 . 2 2 7 7 SER HA H 1 4.4840 0.0000 . 1 . . . B 5 SER HA . 11578 2 41 . 2 2 7 7 SER HB2 H 1 3.9560 0.0000 . 2 . . . B 5 SER HB2 . 11578 2 42 . 2 2 7 7 SER HB3 H 1 3.8920 0.0000 . 2 . . . B 5 SER HB3 . 11578 2 43 . 2 2 7 7 SER C C 13 173.9170 0.0000 . 1 . . . B 5 SER C . 11578 2 44 . 2 2 7 7 SER CA C 13 58.3920 0.0000 . 1 . . . B 5 SER CA . 11578 2 45 . 2 2 7 7 SER CB C 13 63.6180 0.0000 . 1 . . . B 5 SER CB . 11578 2 46 . 2 2 7 7 SER N N 15 118.0510 0.0000 . 1 . . . B 5 SER N . 11578 2 47 . 2 2 8 8 GLU H H 1 8.0410 0.0000 . 1 . . . B 6 GLU H . 11578 2 48 . 2 2 8 8 GLU HA H 1 4.2970 0.0000 . 1 . . . B 6 GLU HA . 11578 2 49 . 2 2 8 8 GLU HB2 H 1 2.0100 0.0000 . 2 . . . B 6 GLU HB2 . 11578 2 50 . 2 2 8 8 GLU HB3 H 1 1.9230 0.0000 . 2 . . . B 6 GLU HB3 . 11578 2 51 . 2 2 8 8 GLU HG2 H 1 2.2970 0.0000 . 2 . . . B 6 GLU HG2 . 11578 2 52 . 2 2 8 8 GLU C C 13 175.3870 0.0000 . 1 . . . B 6 GLU C . 11578 2 53 . 2 2 8 8 GLU CA C 13 56.0740 0.0000 . 1 . . . B 6 GLU CA . 11578 2 54 . 2 2 8 8 GLU CB C 13 31.1540 0.0000 . 1 . . . B 6 GLU CB . 11578 2 55 . 2 2 8 8 GLU CG C 13 36.3700 0.0000 . 1 . . . B 6 GLU CG . 11578 2 56 . 2 2 8 8 GLU N N 15 124.6870 0.0000 . 1 . . . B 6 GLU N . 11578 2 57 . 2 2 9 9 GLU H H 1 8.5830 0.0000 . 1 . . . B 7 GLU H . 11578 2 58 . 2 2 9 9 GLU HA H 1 4.2040 0.0000 . 1 . . . B 7 GLU HA . 11578 2 59 . 2 2 9 9 GLU HB2 H 1 2.0160 0.0000 . 2 . . . B 7 GLU HB2 . 11578 2 60 . 2 2 9 9 GLU HG2 H 1 2.3000 0.0000 . 2 . . . B 7 GLU HG2 . 11578 2 61 . 2 2 9 9 GLU HG3 H 1 2.1360 0.0000 . 2 . . . B 7 GLU HG3 . 11578 2 62 . 2 2 9 9 GLU C C 13 175.0220 0.0000 . 1 . . . B 7 GLU C . 11578 2 63 . 2 2 9 9 GLU CA C 13 57.2330 0.0000 . 1 . . . B 7 GLU CA . 11578 2 64 . 2 2 9 9 GLU CB C 13 30.5740 0.0000 . 1 . . . B 7 GLU CB . 11578 2 65 . 2 2 9 9 GLU CG C 13 35.7900 0.0000 . 1 . . . B 7 GLU CG . 11578 2 66 . 2 2 9 9 GLU N N 15 126.7570 0.0000 . 1 . . . B 7 GLU N . 11578 2 67 . 2 2 10 10 VAL H H 1 8.4200 0.0000 . 1 . . . B 8 VAL H . 11578 2 68 . 2 2 10 10 VAL HA H 1 4.2710 0.0000 . 1 . . . B 8 VAL HA . 11578 2 69 . 2 2 10 10 VAL HB H 1 2.1000 0.0000 . 1 . . . B 8 VAL HB . 11578 2 70 . 2 2 10 10 VAL HG11 H 1 0.9500 0.0000 . 1 . . . B 8 VAL HG11 . 11578 2 71 . 2 2 10 10 VAL HG12 H 1 0.9500 0.0000 . 1 . . . B 8 VAL HG12 . 11578 2 72 . 2 2 10 10 VAL HG13 H 1 0.9500 0.0000 . 1 . . . B 8 VAL HG13 . 11578 2 73 . 2 2 10 10 VAL HG21 H 1 1.1400 0.0000 . 1 . . . B 8 VAL HG21 . 11578 2 74 . 2 2 10 10 VAL HG22 H 1 1.1400 0.0000 . 1 . . . B 8 VAL HG22 . 11578 2 75 . 2 2 10 10 VAL HG23 H 1 1.1400 0.0000 . 1 . . . B 8 VAL HG23 . 11578 2 76 . 2 2 10 10 VAL C C 13 176.1490 0.0000 . 1 . . . B 8 VAL C . 11578 2 77 . 2 2 10 10 VAL CA C 13 61.8790 0.0000 . 1 . . . B 8 VAL CA . 11578 2 78 . 2 2 10 10 VAL CB C 13 32.8930 0.0000 . 1 . . . B 8 VAL CB . 11578 2 79 . 2 2 10 10 VAL CG1 C 13 21.8710 0.0000 . 1 . . . B 8 VAL CG1 . 11578 2 80 . 2 2 10 10 VAL CG2 C 13 21.8710 0.0000 . 1 . . . B 8 VAL CG2 . 11578 2 81 . 2 2 10 10 VAL N N 15 125.6910 0.0000 . 1 . . . B 8 VAL N . 11578 2 82 . 2 2 11 11 LEU H H 1 9.5450 0.0000 . 1 . . . B 9 LEU H . 11578 2 83 . 2 2 11 11 LEU HA H 1 4.4020 0.0000 . 1 . . . B 9 LEU HA . 11578 2 84 . 2 2 11 11 LEU HB2 H 1 1.4750 0.0000 . 1 . . . B 9 LEU HB2 . 11578 2 85 . 2 2 11 11 LEU HB3 H 1 1.5700 0.0000 . 1 . . . B 9 LEU HB3 . 11578 2 86 . 2 2 11 11 LEU HG H 1 1.4720 0.0000 . 1 . . . B 9 LEU HG . 11578 2 87 . 2 2 11 11 LEU HD11 H 1 0.9060 0.0000 . 1 . . . B 9 LEU HD11 . 11578 2 88 . 2 2 11 11 LEU HD12 H 1 0.9060 0.0000 . 1 . . . B 9 LEU HD12 . 11578 2 89 . 2 2 11 11 LEU HD13 H 1 0.9060 0.0000 . 1 . . . B 9 LEU HD13 . 11578 2 90 . 2 2 11 11 LEU HD21 H 1 0.8290 0.0000 . 1 . . . B 9 LEU HD21 . 11578 2 91 . 2 2 11 11 LEU HD22 H 1 0.8290 0.0000 . 1 . . . B 9 LEU HD22 . 11578 2 92 . 2 2 11 11 LEU HD23 H 1 0.8290 0.0000 . 1 . . . B 9 LEU HD23 . 11578 2 93 . 2 2 11 11 LEU C C 13 177.4610 0.0000 . 1 . . . B 9 LEU C . 11578 2 94 . 2 2 11 11 LEU CA C 13 56.0740 0.0000 . 1 . . . B 9 LEU CA . 11578 2 95 . 2 2 11 11 LEU CB C 13 42.7450 0.0000 . 1 . . . B 9 LEU CB . 11578 2 96 . 2 2 11 11 LEU CG C 13 28.2560 0.0000 . 1 . . . B 9 LEU CG . 11578 2 97 . 2 2 11 11 LEU CD1 C 13 26.5180 0.0000 . 1 . . . B 9 LEU CD1 . 11578 2 98 . 2 2 11 11 LEU CD2 C 13 22.4510 0.0000 . 1 . . . B 9 LEU CD2 . 11578 2 99 . 2 2 11 11 LEU N N 15 128.9170 0.0000 . 1 . . . B 9 LEU N . 11578 2 100 . 2 2 12 12 LEU H H 1 7.6790 0.0000 . 1 . . . B 10 LEU H . 11578 2 101 . 2 2 12 12 LEU HA H 1 4.4380 0.0000 . 1 . . . B 10 LEU HA . 11578 2 102 . 2 2 12 12 LEU HB2 H 1 1.5720 0.0000 . 1 . . . B 10 LEU HB2 . 11578 2 103 . 2 2 12 12 LEU HB3 H 1 1.5200 0.0000 . 1 . . . B 10 LEU HB3 . 11578 2 104 . 2 2 12 12 LEU HG H 1 1.3950 0.0000 . 1 . . . B 10 LEU HG . 11578 2 105 . 2 2 12 12 LEU HD11 H 1 0.9890 0.0000 . 1 . . . B 10 LEU HD11 . 11578 2 106 . 2 2 12 12 LEU HD12 H 1 0.9890 0.0000 . 1 . . . B 10 LEU HD12 . 11578 2 107 . 2 2 12 12 LEU HD13 H 1 0.9890 0.0000 . 1 . . . B 10 LEU HD13 . 11578 2 108 . 2 2 12 12 LEU HD21 H 1 0.7860 0.0000 . 1 . . . B 10 LEU HD21 . 11578 2 109 . 2 2 12 12 LEU HD22 H 1 0.7860 0.0000 . 1 . . . B 10 LEU HD22 . 11578 2 110 . 2 2 12 12 LEU HD23 H 1 0.7860 0.0000 . 1 . . . B 10 LEU HD23 . 11578 2 111 . 2 2 12 12 LEU C C 13 173.0920 0.0000 . 1 . . . B 10 LEU C . 11578 2 112 . 2 2 12 12 LEU CA C 13 55.4940 0.0000 . 1 . . . B 10 LEU CA . 11578 2 113 . 2 2 12 12 LEU CB C 13 45.6420 0.0000 . 1 . . . B 10 LEU CB . 11578 2 114 . 2 2 12 12 LEU CG C 13 27.0970 0.0000 . 1 . . . B 10 LEU CG . 11578 2 115 . 2 2 12 12 LEU CD1 C 13 22.4510 0.0000 . 1 . . . B 10 LEU CD1 . 11578 2 116 . 2 2 12 12 LEU CD2 C 13 26.5180 0.0000 . 1 . . . B 10 LEU CD2 . 11578 2 117 . 2 2 12 12 LEU N N 15 120.2420 0.0000 . 1 . . . B 10 LEU N . 11578 2 118 . 2 2 13 13 ILE H H 1 8.0640 0.0000 . 1 . . . B 11 ILE H . 11578 2 119 . 2 2 13 13 ILE HA H 1 4.7910 0.0000 . 1 . . . B 11 ILE HA . 11578 2 120 . 2 2 13 13 ILE HB H 1 1.3060 0.0000 . 1 . . . B 11 ILE HB . 11578 2 121 . 2 2 13 13 ILE HG12 H 1 1.2500 0.0000 . 2 . . . B 11 ILE HG12 . 11578 2 122 . 2 2 13 13 ILE HG13 H 1 0.1890 0.0000 . 2 . . . B 11 ILE HG13 . 11578 2 123 . 2 2 13 13 ILE HG21 H 1 0.2410 0.0000 . 1 . . . B 11 ILE HG21 . 11578 2 124 . 2 2 13 13 ILE HG22 H 1 0.2410 0.0000 . 1 . . . B 11 ILE HG22 . 11578 2 125 . 2 2 13 13 ILE HG23 H 1 0.2410 0.0000 . 1 . . . B 11 ILE HG23 . 11578 2 126 . 2 2 13 13 ILE HD11 H 1 0.7210 0.0000 . 1 . . . B 11 ILE HD11 . 11578 2 127 . 2 2 13 13 ILE HD12 H 1 0.7210 0.0000 . 1 . . . B 11 ILE HD12 . 11578 2 128 . 2 2 13 13 ILE HD13 H 1 0.7210 0.0000 . 1 . . . B 11 ILE HD13 . 11578 2 129 . 2 2 13 13 ILE C C 13 175.9240 0.0000 . 1 . . . B 11 ILE C . 11578 2 130 . 2 2 13 13 ILE CA C 13 60.1300 0.0000 . 1 . . . B 11 ILE CA . 11578 2 131 . 2 2 13 13 ILE CB C 13 40.4260 0.0000 . 1 . . . B 11 ILE CB . 11578 2 132 . 2 2 13 13 ILE CG1 C 13 27.0970 0.0000 . 1 . . . B 11 ILE CG1 . 11578 2 133 . 2 2 13 13 ILE CG2 C 13 16.0760 0.0000 . 1 . . . B 11 ILE CG2 . 11578 2 134 . 2 2 13 13 ILE CD1 C 13 14.3370 0.0000 . 1 . . . B 11 ILE CD1 . 11578 2 135 . 2 2 13 13 ILE N N 15 126.0810 0.0000 . 1 . . . B 11 ILE N . 11578 2 136 . 2 2 14 14 VAL H H 1 9.2470 0.0000 . 1 . . . B 12 VAL H . 11578 2 137 . 2 2 14 14 VAL HA H 1 4.3320 0.0000 . 1 . . . B 12 VAL HA . 11578 2 138 . 2 2 14 14 VAL HB H 1 1.8970 0.0000 . 1 . . . B 12 VAL HB . 11578 2 139 . 2 2 14 14 VAL HG11 H 1 1.1520 0.0000 . 1 . . . B 12 VAL HG11 . 11578 2 140 . 2 2 14 14 VAL HG12 H 1 1.1520 0.0000 . 1 . . . B 12 VAL HG12 . 11578 2 141 . 2 2 14 14 VAL HG13 H 1 1.1520 0.0000 . 1 . . . B 12 VAL HG13 . 11578 2 142 . 2 2 14 14 VAL HG21 H 1 0.8630 0.0000 . 1 . . . B 12 VAL HG21 . 11578 2 143 . 2 2 14 14 VAL HG22 H 1 0.8630 0.0000 . 1 . . . B 12 VAL HG22 . 11578 2 144 . 2 2 14 14 VAL HG23 H 1 0.8630 0.0000 . 1 . . . B 12 VAL HG23 . 11578 2 145 . 2 2 14 14 VAL C C 13 174.9920 0.0000 . 1 . . . B 12 VAL C . 11578 2 146 . 2 2 14 14 VAL CA C 13 61.3000 0.0000 . 1 . . . B 12 VAL CA . 11578 2 147 . 2 2 14 14 VAL CB C 13 34.0520 0.0000 . 1 . . . B 12 VAL CB . 11578 2 148 . 2 2 14 14 VAL CG1 C 13 22.4510 0.0000 . 1 . . . B 12 VAL CG1 . 11578 2 149 . 2 2 14 14 VAL CG2 C 13 20.1330 0.0000 . 1 . . . B 12 VAL CG2 . 11578 2 150 . 2 2 14 14 VAL N N 15 128.9670 0.0000 . 1 . . . B 12 VAL N . 11578 2 151 . 2 2 15 15 LYS H H 1 8.6050 0.0000 . 1 . . . B 13 LYS H . 11578 2 152 . 2 2 15 15 LYS HA H 1 4.4410 0.0000 . 1 . . . B 13 LYS HA . 11578 2 153 . 2 2 15 15 LYS HB2 H 1 1.7970 0.0000 . 1 . . . B 13 LYS HB2 . 11578 2 154 . 2 2 15 15 LYS HB3 H 1 1.9390 0.0000 . 1 . . . B 13 LYS HB3 . 11578 2 155 . 2 2 15 15 LYS HG2 H 1 1.5120 0.0000 . 2 . . . B 13 LYS HG2 . 11578 2 156 . 2 2 15 15 LYS HG3 H 1 1.3350 0.0000 . 2 . . . B 13 LYS HG3 . 11578 2 157 . 2 2 15 15 LYS HD2 H 1 1.6500 0.0000 . 2 . . . B 13 LYS HD2 . 11578 2 158 . 2 2 15 15 LYS HE2 H 1 2.9340 0.0000 . 2 . . . B 13 LYS HE2 . 11578 2 159 . 2 2 15 15 LYS HE3 H 1 2.9070 0.0000 . 2 . . . B 13 LYS HE3 . 11578 2 160 . 2 2 15 15 LYS C C 13 176.0550 0.0000 . 1 . . . B 13 LYS C . 11578 2 161 . 2 2 15 15 LYS CA C 13 55.4940 0.0000 . 1 . . . B 13 LYS CA . 11578 2 162 . 2 2 15 15 LYS CB C 13 33.4720 0.0000 . 1 . . . B 13 LYS CB . 11578 2 163 . 2 2 15 15 LYS CG C 13 25.9380 0.0000 . 1 . . . B 13 LYS CG . 11578 2 164 . 2 2 15 15 LYS CD C 13 28.8360 0.0000 . 1 . . . B 13 LYS CD . 11578 2 165 . 2 2 15 15 LYS CE C 13 41.5850 0.0000 . 1 . . . B 13 LYS CE . 11578 2 166 . 2 2 15 15 LYS N N 15 126.2440 0.0000 . 1 . . . B 13 LYS N . 11578 2 167 . 2 2 16 16 LYS H H 1 8.6820 0.0000 . 1 . . . B 14 LYS H . 11578 2 168 . 2 2 16 16 LYS HA H 1 4.2280 0.0000 . 1 . . . B 14 LYS HA . 11578 2 169 . 2 2 16 16 LYS HB2 H 1 1.7980 0.0000 . 1 . . . B 14 LYS HB2 . 11578 2 170 . 2 2 16 16 LYS HB3 H 1 2.1060 0.0000 . 1 . . . B 14 LYS HB3 . 11578 2 171 . 2 2 16 16 LYS HG2 H 1 1.3900 0.0000 . 2 . . . B 14 LYS HG2 . 11578 2 172 . 2 2 16 16 LYS HG3 H 1 1.3590 0.0000 . 2 . . . B 14 LYS HG3 . 11578 2 173 . 2 2 16 16 LYS HD2 H 1 1.6940 0.0000 . 2 . . . B 14 LYS HD2 . 11578 2 174 . 2 2 16 16 LYS HD3 H 1 1.6370 0.0000 . 2 . . . B 14 LYS HD3 . 11578 2 175 . 2 2 16 16 LYS HE2 H 1 2.9830 0.0000 . 2 . . . B 14 LYS HE2 . 11578 2 176 . 2 2 16 16 LYS C C 13 176.3750 0.0000 . 1 . . . B 14 LYS C . 11578 2 177 . 2 2 16 16 LYS CA C 13 56.6530 0.0000 . 1 . . . B 14 LYS CA . 11578 2 178 . 2 2 16 16 LYS CB C 13 28.8360 0.0000 . 1 . . . B 14 LYS CB . 11578 2 179 . 2 2 16 16 LYS CG C 13 24.7790 0.0000 . 1 . . . B 14 LYS CG . 11578 2 180 . 2 2 16 16 LYS CD C 13 28.8360 0.0000 . 1 . . . B 14 LYS CD . 11578 2 181 . 2 2 16 16 LYS CE C 13 42.1650 0.0000 . 1 . . . B 14 LYS CE . 11578 2 182 . 2 2 16 16 LYS N N 15 116.9950 0.0000 . 1 . . . B 14 LYS N . 11578 2 183 . 2 2 17 17 VAL H H 1 8.3710 0.0000 . 1 . . . B 15 VAL H . 11578 2 184 . 2 2 17 17 VAL HA H 1 4.5960 0.0000 . 1 . . . B 15 VAL HA . 11578 2 185 . 2 2 17 17 VAL HB H 1 1.6490 0.0000 . 1 . . . B 15 VAL HB . 11578 2 186 . 2 2 17 17 VAL HG11 H 1 0.4530 0.0000 . 1 . . . B 15 VAL HG11 . 11578 2 187 . 2 2 17 17 VAL HG12 H 1 0.4530 0.0000 . 1 . . . B 15 VAL HG12 . 11578 2 188 . 2 2 17 17 VAL HG13 H 1 0.4530 0.0000 . 1 . . . B 15 VAL HG13 . 11578 2 189 . 2 2 17 17 VAL HG21 H 1 0.4870 0.0000 . 1 . . . B 15 VAL HG21 . 11578 2 190 . 2 2 17 17 VAL HG22 H 1 0.4870 0.0000 . 1 . . . B 15 VAL HG22 . 11578 2 191 . 2 2 17 17 VAL HG23 H 1 0.4870 0.0000 . 1 . . . B 15 VAL HG23 . 11578 2 192 . 2 2 17 17 VAL C C 13 176.6260 0.0000 . 1 . . . B 15 VAL C . 11578 2 193 . 2 2 17 17 VAL CA C 13 61.3000 0.0000 . 1 . . . B 15 VAL CA . 11578 2 194 . 2 2 17 17 VAL CB C 13 32.8930 0.0000 . 1 . . . B 15 VAL CB . 11578 2 195 . 2 2 17 17 VAL CG1 C 13 22.4510 0.0000 . 1 . . . B 15 VAL CG1 . 11578 2 196 . 2 2 17 17 VAL CG2 C 13 23.0300 0.0000 . 1 . . . B 15 VAL CG2 . 11578 2 197 . 2 2 17 17 VAL N N 15 122.5400 0.0000 . 1 . . . B 15 VAL N . 11578 2 198 . 2 2 18 18 ARG H H 1 9.9320 0.0000 . 1 . . . B 16 ARG H . 11578 2 199 . 2 2 18 18 ARG HA H 1 5.6910 0.0000 . 1 . . . B 16 ARG HA . 11578 2 200 . 2 2 18 18 ARG HB2 H 1 1.6620 0.0000 . 1 . . . B 16 ARG HB2 . 11578 2 201 . 2 2 18 18 ARG HB3 H 1 1.9000 0.0000 . 1 . . . B 16 ARG HB3 . 11578 2 202 . 2 2 18 18 ARG HG2 H 1 1.5940 0.0000 . 2 . . . B 16 ARG HG2 . 11578 2 203 . 2 2 18 18 ARG HG3 H 1 1.5240 0.0000 . 2 . . . B 16 ARG HG3 . 11578 2 204 . 2 2 18 18 ARG HD2 H 1 3.2880 0.0000 . 2 . . . B 16 ARG HD2 . 11578 2 205 . 2 2 18 18 ARG HD3 H 1 3.0270 0.0000 . 2 . . . B 16 ARG HD3 . 11578 2 206 . 2 2 18 18 ARG C C 13 175.9720 0.0000 . 1 . . . B 16 ARG C . 11578 2 207 . 2 2 18 18 ARG CA C 13 54.9150 0.0000 . 1 . . . B 16 ARG CA . 11578 2 208 . 2 2 18 18 ARG CB C 13 33.4720 0.0000 . 1 . . . B 16 ARG CB . 11578 2 209 . 2 2 18 18 ARG CG C 13 28.2560 0.0000 . 1 . . . B 16 ARG CG . 11578 2 210 . 2 2 18 18 ARG CD C 13 43.9040 0.0000 . 1 . . . B 16 ARG CD . 11578 2 211 . 2 2 18 18 ARG N N 15 130.8860 0.0000 . 1 . . . B 16 ARG N . 11578 2 212 . 2 2 19 19 GLN H H 1 8.2200 0.0000 . 1 . . . B 17 GLN H . 11578 2 213 . 2 2 19 19 GLN HA H 1 4.2690 0.0000 . 1 . . . B 17 GLN HA . 11578 2 214 . 2 2 19 19 GLN HB2 H 1 0.4510 0.0000 . 2 . . . B 17 GLN HB2 . 11578 2 215 . 2 2 19 19 GLN HB3 H 1 0.3570 0.0000 . 2 . . . B 17 GLN HB3 . 11578 2 216 . 2 2 19 19 GLN HG2 H 1 1.6430 0.0000 . 2 . . . B 17 GLN HG2 . 11578 2 217 . 2 2 19 19 GLN HG3 H 1 1.1520 0.0000 . 2 . . . B 17 GLN HG3 . 11578 2 218 . 2 2 19 19 GLN HE21 H 1 5.7680 0.0000 . 2 . . . B 17 GLN HE21 . 11578 2 219 . 2 2 19 19 GLN HE22 H 1 6.6670 0.0000 . 2 . . . B 17 GLN HE22 . 11578 2 220 . 2 2 19 19 GLN C C 13 174.8390 0.0000 . 1 . . . B 17 GLN C . 11578 2 221 . 2 2 19 19 GLN CA C 13 56.0740 0.0000 . 1 . . . B 17 GLN CA . 11578 2 222 . 2 2 19 19 GLN CB C 13 28.8360 0.0000 . 1 . . . B 17 GLN CB . 11578 2 223 . 2 2 19 19 GLN CG C 13 34.0520 0.0000 . 1 . . . B 17 GLN CG . 11578 2 224 . 2 2 19 19 GLN N N 15 124.1310 0.0000 . 1 . . . B 17 GLN N . 11578 2 225 . 2 2 19 19 GLN NE2 N 15 111.1580 0.0000 . 1 . . . B 17 GLN NE2 . 11578 2 226 . 2 2 20 20 LYS H H 1 9.5110 0.0000 . 1 . . . B 18 LYS H . 11578 2 227 . 2 2 20 20 LYS HA H 1 3.7520 0.0000 . 1 . . . B 18 LYS HA . 11578 2 228 . 2 2 20 20 LYS HB2 H 1 1.9180 0.0000 . 2 . . . B 18 LYS HB2 . 11578 2 229 . 2 2 20 20 LYS HB3 H 1 1.6690 0.0000 . 2 . . . B 18 LYS HB3 . 11578 2 230 . 2 2 20 20 LYS HG2 H 1 1.3960 0.0000 . 2 . . . B 18 LYS HG2 . 11578 2 231 . 2 2 20 20 LYS HG3 H 1 1.2850 0.0000 . 2 . . . B 18 LYS HG3 . 11578 2 232 . 2 2 20 20 LYS HD2 H 1 1.6600 0.0000 . 2 . . . B 18 LYS HD2 . 11578 2 233 . 2 2 20 20 LYS HE2 H 1 2.9950 0.0000 . 2 . . . B 18 LYS HE2 . 11578 2 234 . 2 2 20 20 LYS C C 13 175.5530 0.0000 . 1 . . . B 18 LYS C . 11578 2 235 . 2 2 20 20 LYS CA C 13 57.8120 0.0000 . 1 . . . B 18 LYS CA . 11578 2 236 . 2 2 20 20 LYS CB C 13 29.9950 0.0000 . 1 . . . B 18 LYS CB . 11578 2 237 . 2 2 20 20 LYS CG C 13 25.3590 0.0000 . 1 . . . B 18 LYS CG . 11578 2 238 . 2 2 20 20 LYS CD C 13 29.4150 0.0000 . 1 . . . B 18 LYS CD . 11578 2 239 . 2 2 20 20 LYS CE C 13 42.1650 0.0000 . 1 . . . B 18 LYS CE . 11578 2 240 . 2 2 20 20 LYS N N 15 127.9820 0.0000 . 1 . . . B 18 LYS N . 11578 2 241 . 2 2 21 21 LYS H H 1 8.8500 0.0000 . 1 . . . B 19 LYS H . 11578 2 242 . 2 2 21 21 LYS HA H 1 3.7200 0.0000 . 1 . . . B 19 LYS HA . 11578 2 243 . 2 2 21 21 LYS HB2 H 1 2.1420 0.0000 . 2 . . . B 19 LYS HB2 . 11578 2 244 . 2 2 21 21 LYS HB3 H 1 2.0600 0.0000 . 2 . . . B 19 LYS HB3 . 11578 2 245 . 2 2 21 21 LYS HG2 H 1 1.3460 0.0000 . 2 . . . B 19 LYS HG2 . 11578 2 246 . 2 2 21 21 LYS HD2 H 1 1.6940 0.0000 . 2 . . . B 19 LYS HD2 . 11578 2 247 . 2 2 21 21 LYS HD3 H 1 1.6420 0.0000 . 2 . . . B 19 LYS HD3 . 11578 2 248 . 2 2 21 21 LYS HE2 H 1 2.9640 0.0000 . 2 . . . B 19 LYS HE2 . 11578 2 249 . 2 2 21 21 LYS C C 13 174.9530 0.0000 . 1 . . . B 19 LYS C . 11578 2 250 . 2 2 21 21 LYS CA C 13 57.8120 0.0000 . 1 . . . B 19 LYS CA . 11578 2 251 . 2 2 21 21 LYS CB C 13 29.9950 0.0000 . 1 . . . B 19 LYS CB . 11578 2 252 . 2 2 21 21 LYS CG C 13 25.3590 0.0000 . 1 . . . B 19 LYS CG . 11578 2 253 . 2 2 21 21 LYS CD C 13 29.4150 0.0000 . 1 . . . B 19 LYS CD . 11578 2 254 . 2 2 21 21 LYS CE C 13 42.1650 0.0000 . 1 . . . B 19 LYS CE . 11578 2 255 . 2 2 21 21 LYS N N 15 110.5150 0.0000 . 1 . . . B 19 LYS N . 11578 2 256 . 2 2 22 22 GLN H H 1 7.7300 0.0000 . 1 . . . B 20 GLN H . 11578 2 257 . 2 2 22 22 GLN HA H 1 4.7520 0.0000 . 1 . . . B 20 GLN HA . 11578 2 258 . 2 2 22 22 GLN HB2 H 1 2.5170 0.0000 . 2 . . . B 20 GLN HB2 . 11578 2 259 . 2 2 22 22 GLN HB3 H 1 2.4160 0.0000 . 2 . . . B 20 GLN HB3 . 11578 2 260 . 2 2 22 22 GLN HG2 H 1 2.6240 0.0000 . 2 . . . B 20 GLN HG2 . 11578 2 261 . 2 2 22 22 GLN HE21 H 1 6.9640 0.0000 . 2 . . . B 20 GLN HE21 . 11578 2 262 . 2 2 22 22 GLN HE22 H 1 7.6510 0.0000 . 2 . . . B 20 GLN HE22 . 11578 2 263 . 2 2 22 22 GLN C C 13 175.3690 0.0000 . 1 . . . B 20 GLN C . 11578 2 264 . 2 2 22 22 GLN CA C 13 54.3350 0.0000 . 1 . . . B 20 GLN CA . 11578 2 265 . 2 2 22 22 GLN CB C 13 31.7330 0.0000 . 1 . . . B 20 GLN CB . 11578 2 266 . 2 2 22 22 GLN CG C 13 34.0520 0.0000 . 1 . . . B 20 GLN CG . 11578 2 267 . 2 2 22 22 GLN N N 15 120.0380 0.0000 . 1 . . . B 20 GLN N . 11578 2 268 . 2 2 22 22 GLN NE2 N 15 112.8720 0.0000 . 1 . . . B 20 GLN NE2 . 11578 2 269 . 2 2 23 23 ASP H H 1 8.8290 0.0000 . 1 . . . B 21 ASP H . 11578 2 270 . 2 2 23 23 ASP HA H 1 4.6710 0.0000 . 1 . . . B 21 ASP HA . 11578 2 271 . 2 2 23 23 ASP HB2 H 1 2.6250 0.0000 . 1 . . . B 21 ASP HB2 . 11578 2 272 . 2 2 23 23 ASP HB3 H 1 2.6930 0.0000 . 1 . . . B 21 ASP HB3 . 11578 2 273 . 2 2 23 23 ASP C C 13 177.0880 0.0000 . 1 . . . B 21 ASP C . 11578 2 274 . 2 2 23 23 ASP CA C 13 56.0740 0.0000 . 1 . . . B 21 ASP CA . 11578 2 275 . 2 2 23 23 ASP CB C 13 42.1650 0.0000 . 1 . . . B 21 ASP CB . 11578 2 276 . 2 2 23 23 ASP N N 15 124.3710 0.0000 . 1 . . . B 21 ASP N . 11578 2 277 . 2 2 24 24 GLY H H 1 7.8250 0.0000 . 1 . . . B 22 GLY H . 11578 2 278 . 2 2 24 24 GLY HA2 H 1 4.1320 0.0000 . 2 . . . B 22 GLY HA2 . 11578 2 279 . 2 2 24 24 GLY HA3 H 1 4.0160 0.0000 . 2 . . . B 22 GLY HA3 . 11578 2 280 . 2 2 24 24 GLY C C 13 170.5070 0.0000 . 1 . . . B 22 GLY C . 11578 2 281 . 2 2 24 24 GLY CA C 13 46.8010 0.0000 . 1 . . . B 22 GLY CA . 11578 2 282 . 2 2 24 24 GLY N N 15 113.1500 0.0000 . 1 . . . B 22 GLY N . 11578 2 283 . 2 2 25 25 ALA H H 1 7.8420 0.0000 . 1 . . . B 23 ALA H . 11578 2 284 . 2 2 25 25 ALA HA H 1 5.1490 0.0000 . 1 . . . B 23 ALA HA . 11578 2 285 . 2 2 25 25 ALA HB1 H 1 1.2490 0.0000 . 1 . . . B 23 ALA HB1 . 11578 2 286 . 2 2 25 25 ALA HB2 H 1 1.2490 0.0000 . 1 . . . B 23 ALA HB2 . 11578 2 287 . 2 2 25 25 ALA HB3 H 1 1.2490 0.0000 . 1 . . . B 23 ALA HB3 . 11578 2 288 . 2 2 25 25 ALA C C 13 173.5960 0.0000 . 1 . . . B 23 ALA C . 11578 2 289 . 2 2 25 25 ALA CA C 13 50.2780 0.0000 . 1 . . . B 23 ALA CA . 11578 2 290 . 2 2 25 25 ALA CB C 13 22.4510 0.0000 . 1 . . . B 23 ALA CB . 11578 2 291 . 2 2 25 25 ALA N N 15 122.7080 0.0000 . 1 . . . B 23 ALA N . 11578 2 292 . 2 2 26 26 LEU H H 1 9.0220 0.0000 . 1 . . . B 24 LEU H . 11578 2 293 . 2 2 26 26 LEU HA H 1 4.9430 0.0000 . 1 . . . B 24 LEU HA . 11578 2 294 . 2 2 26 26 LEU HB2 H 1 1.8550 0.0000 . 1 . . . B 24 LEU HB2 . 11578 2 295 . 2 2 26 26 LEU HB3 H 1 0.9570 0.0000 . 1 . . . B 24 LEU HB3 . 11578 2 296 . 2 2 26 26 LEU HG H 1 1.3050 0.0000 . 1 . . . B 24 LEU HG . 11578 2 297 . 2 2 26 26 LEU HD11 H 1 0.5570 0.0000 . 1 . . . B 24 LEU HD11 . 11578 2 298 . 2 2 26 26 LEU HD12 H 1 0.5570 0.0000 . 1 . . . B 24 LEU HD12 . 11578 2 299 . 2 2 26 26 LEU HD13 H 1 0.5570 0.0000 . 1 . . . B 24 LEU HD13 . 11578 2 300 . 2 2 26 26 LEU HD21 H 1 0.2410 0.0000 . 1 . . . B 24 LEU HD21 . 11578 2 301 . 2 2 26 26 LEU HD22 H 1 0.2410 0.0000 . 1 . . . B 24 LEU HD22 . 11578 2 302 . 2 2 26 26 LEU HD23 H 1 0.2410 0.0000 . 1 . . . B 24 LEU HD23 . 11578 2 303 . 2 2 26 26 LEU C C 13 173.8070 0.0000 . 1 . . . B 24 LEU C . 11578 2 304 . 2 2 26 26 LEU CA C 13 53.1760 0.0000 . 1 . . . B 24 LEU CA . 11578 2 305 . 2 2 26 26 LEU CB C 13 47.3810 0.0000 . 1 . . . B 24 LEU CB . 11578 2 306 . 2 2 26 26 LEU CG C 13 26.5180 0.0000 . 1 . . . B 24 LEU CG . 11578 2 307 . 2 2 26 26 LEU CD1 C 13 26.5180 0.0000 . 1 . . . B 24 LEU CD1 . 11578 2 308 . 2 2 26 26 LEU CD2 C 13 23.0300 0.0000 . 1 . . . B 24 LEU CD2 . 11578 2 309 . 2 2 26 26 LEU N N 15 124.5490 0.0000 . 1 . . . B 24 LEU N . 11578 2 310 . 2 2 27 27 TYR H H 1 9.6230 0.0000 . 1 . . . B 25 TYR H . 11578 2 311 . 2 2 27 27 TYR HA H 1 5.0010 0.0000 . 1 . . . B 25 TYR HA . 11578 2 312 . 2 2 27 27 TYR HB2 H 1 2.6830 0.0000 . 1 . . . B 25 TYR HB2 . 11578 2 313 . 2 2 27 27 TYR HB3 H 1 2.7920 0.0000 . 1 . . . B 25 TYR HB3 . 11578 2 314 . 2 2 27 27 TYR HD1 H 1 7.1180 0.0000 . 3 . . . B 25 TYR HD1 . 11578 2 315 . 2 2 27 27 TYR HD2 H 1 7.1180 0.0000 . 3 . . . B 25 TYR HD2 . 11578 2 316 . 2 2 27 27 TYR HE1 H 1 6.7320 0.0000 . 3 . . . B 25 TYR HE1 . 11578 2 317 . 2 2 27 27 TYR HE2 H 1 6.7320 0.0000 . 3 . . . B 25 TYR HE2 . 11578 2 318 . 2 2 27 27 TYR C C 13 174.2200 0.0000 . 1 . . . B 25 TYR C . 11578 2 319 . 2 2 27 27 TYR CA C 13 56.6530 0.0000 . 1 . . . B 25 TYR CA . 11578 2 320 . 2 2 27 27 TYR CB C 13 41.0060 0.0000 . 1 . . . B 25 TYR CB . 11578 2 321 . 2 2 27 27 TYR CD1 C 13 133.1510 0.0000 . 3 . . . B 25 TYR CD1 . 11578 2 322 . 2 2 27 27 TYR CD2 C 13 133.1510 0.0000 . 3 . . . B 25 TYR CD2 . 11578 2 323 . 2 2 27 27 TYR CE1 C 13 118.0840 0.0000 . 3 . . . B 25 TYR CE1 . 11578 2 324 . 2 2 27 27 TYR CE2 C 13 118.0840 0.0000 . 3 . . . B 25 TYR CE2 . 11578 2 325 . 2 2 27 27 TYR N N 15 126.3080 0.0000 . 1 . . . B 25 TYR N . 11578 2 326 . 2 2 28 28 LEU H H 1 9.2940 0.0000 . 1 . . . B 26 LEU H . 11578 2 327 . 2 2 28 28 LEU HA H 1 4.8330 0.0000 . 1 . . . B 26 LEU HA . 11578 2 328 . 2 2 28 28 LEU HB2 H 1 1.7960 0.0000 . 2 . . . B 26 LEU HB2 . 11578 2 329 . 2 2 28 28 LEU HG H 1 1.9070 0.0000 . 1 . . . B 26 LEU HG . 11578 2 330 . 2 2 28 28 LEU HD11 H 1 1.0650 0.0000 . 1 . . . B 26 LEU HD11 . 11578 2 331 . 2 2 28 28 LEU HD12 H 1 1.0650 0.0000 . 1 . . . B 26 LEU HD12 . 11578 2 332 . 2 2 28 28 LEU HD13 H 1 1.0650 0.0000 . 1 . . . B 26 LEU HD13 . 11578 2 333 . 2 2 28 28 LEU HD21 H 1 1.0220 0.0000 . 1 . . . B 26 LEU HD21 . 11578 2 334 . 2 2 28 28 LEU HD22 H 1 1.0220 0.0000 . 1 . . . B 26 LEU HD22 . 11578 2 335 . 2 2 28 28 LEU HD23 H 1 1.0220 0.0000 . 1 . . . B 26 LEU HD23 . 11578 2 336 . 2 2 28 28 LEU C C 13 175.3350 0.0000 . 1 . . . B 26 LEU C . 11578 2 337 . 2 2 28 28 LEU CA C 13 56.6530 0.0000 . 1 . . . B 26 LEU CA . 11578 2 338 . 2 2 28 28 LEU CB C 13 41.5850 0.0000 . 1 . . . B 26 LEU CB . 11578 2 339 . 2 2 28 28 LEU CG C 13 31.7330 0.0000 . 1 . . . B 26 LEU CG . 11578 2 340 . 2 2 28 28 LEU CD1 C 13 27.0970 0.0000 . 1 . . . B 26 LEU CD1 . 11578 2 341 . 2 2 28 28 LEU CD2 C 13 24.7790 0.0000 . 1 . . . B 26 LEU CD2 . 11578 2 342 . 2 2 28 28 LEU N N 15 125.7980 0.0000 . 1 . . . B 26 LEU N . 11578 2 343 . 2 2 29 29 MET H H 1 8.8910 0.0000 . 1 . . . B 27 MET H . 11578 2 344 . 2 2 29 29 MET HA H 1 5.3420 0.0000 . 1 . . . B 27 MET HA . 11578 2 345 . 2 2 29 29 MET HB2 H 1 2.5240 0.0000 . 1 . . . B 27 MET HB2 . 11578 2 346 . 2 2 29 29 MET HB3 H 1 2.1040 0.0000 . 1 . . . B 27 MET HB3 . 11578 2 347 . 2 2 29 29 MET HG2 H 1 2.5910 0.0000 . 2 . . . B 27 MET HG2 . 11578 2 348 . 2 2 29 29 MET HG3 H 1 2.3390 0.0000 . 2 . . . B 27 MET HG3 . 11578 2 349 . 2 2 29 29 MET HE1 H 1 1.6590 0.0000 . 1 . . . B 27 MET HE1 . 11578 2 350 . 2 2 29 29 MET HE2 H 1 1.6590 0.0000 . 1 . . . B 27 MET HE2 . 11578 2 351 . 2 2 29 29 MET HE3 H 1 1.6590 0.0000 . 1 . . . B 27 MET HE3 . 11578 2 352 . 2 2 29 29 MET C C 13 176.1340 0.0000 . 1 . . . B 27 MET C . 11578 2 353 . 2 2 29 29 MET CA C 13 53.7560 0.0000 . 1 . . . B 27 MET CA . 11578 2 354 . 2 2 29 29 MET CB C 13 34.0520 0.0000 . 1 . . . B 27 MET CB . 11578 2 355 . 2 2 29 29 MET CG C 13 34.0520 0.0000 . 1 . . . B 27 MET CG . 11578 2 356 . 2 2 29 29 MET CE C 13 18.3940 0.0000 . 1 . . . B 27 MET CE . 11578 2 357 . 2 2 29 29 MET N N 15 123.4290 0.0000 . 1 . . . B 27 MET N . 11578 2 358 . 2 2 30 30 ALA H H 1 8.0280 0.0000 . 1 . . . B 28 ALA H . 11578 2 359 . 2 2 30 30 ALA HA H 1 4.2390 0.0000 . 1 . . . B 28 ALA HA . 11578 2 360 . 2 2 30 30 ALA HB1 H 1 1.7030 0.0000 . 1 . . . B 28 ALA HB1 . 11578 2 361 . 2 2 30 30 ALA HB2 H 1 1.7030 0.0000 . 1 . . . B 28 ALA HB2 . 11578 2 362 . 2 2 30 30 ALA HB3 H 1 1.7030 0.0000 . 1 . . . B 28 ALA HB3 . 11578 2 363 . 2 2 30 30 ALA C C 13 178.8720 0.0000 . 1 . . . B 28 ALA C . 11578 2 364 . 2 2 30 30 ALA CA C 13 56.0740 0.0000 . 1 . . . B 28 ALA CA . 11578 2 365 . 2 2 30 30 ALA CB C 13 19.5530 0.0000 . 1 . . . B 28 ALA CB . 11578 2 366 . 2 2 30 30 ALA N N 15 122.2220 0.0000 . 1 . . . B 28 ALA N . 11578 2 367 . 2 2 31 31 GLU H H 1 8.6310 0.0000 . 1 . . . B 29 GLU H . 11578 2 368 . 2 2 31 31 GLU HA H 1 4.3400 0.0000 . 1 . . . B 29 GLU HA . 11578 2 369 . 2 2 31 31 GLU HB2 H 1 1.9490 0.0000 . 2 . . . B 29 GLU HB2 . 11578 2 370 . 2 2 31 31 GLU HB3 H 1 1.7320 0.0000 . 2 . . . B 29 GLU HB3 . 11578 2 371 . 2 2 31 31 GLU HG2 H 1 2.3070 0.0000 . 2 . . . B 29 GLU HG2 . 11578 2 372 . 2 2 31 31 GLU HG3 H 1 2.1610 0.0000 . 2 . . . B 29 GLU HG3 . 11578 2 373 . 2 2 31 31 GLU C C 13 175.5340 0.0000 . 1 . . . B 29 GLU C . 11578 2 374 . 2 2 31 31 GLU CA C 13 55.4940 0.0000 . 1 . . . B 29 GLU CA . 11578 2 375 . 2 2 31 31 GLU CB C 13 31.7330 0.0000 . 1 . . . B 29 GLU CB . 11578 2 376 . 2 2 31 31 GLU CG C 13 36.3700 0.0000 . 1 . . . B 29 GLU CG . 11578 2 377 . 2 2 31 31 GLU N N 15 109.0570 0.0000 . 1 . . . B 29 GLU N . 11578 2 378 . 2 2 32 32 ARG H H 1 6.5940 0.0000 . 1 . . . B 30 ARG H . 11578 2 379 . 2 2 32 32 ARG HA H 1 3.8900 0.0000 . 1 . . . B 30 ARG HA . 11578 2 380 . 2 2 32 32 ARG HB2 H 1 1.9030 0.0000 . 1 . . . B 30 ARG HB2 . 11578 2 381 . 2 2 32 32 ARG HB3 H 1 1.0390 0.0000 . 1 . . . B 30 ARG HB3 . 11578 2 382 . 2 2 32 32 ARG HG2 H 1 1.3470 0.0000 . 2 . . . B 30 ARG HG2 . 11578 2 383 . 2 2 32 32 ARG HG3 H 1 0.8250 0.0000 . 2 . . . B 30 ARG HG3 . 11578 2 384 . 2 2 32 32 ARG HD2 H 1 2.7990 0.0000 . 2 . . . B 30 ARG HD2 . 11578 2 385 . 2 2 32 32 ARG HD3 H 1 2.6580 0.0000 . 2 . . . B 30 ARG HD3 . 11578 2 386 . 2 2 32 32 ARG C C 13 170.4210 0.0000 . 1 . . . B 30 ARG C . 11578 2 387 . 2 2 32 32 ARG CA C 13 53.1760 0.0000 . 1 . . . B 30 ARG CA . 11578 2 388 . 2 2 32 32 ARG CB C 13 33.4720 0.0000 . 1 . . . B 30 ARG CB . 11578 2 389 . 2 2 32 32 ARG CG C 13 24.7790 0.0000 . 1 . . . B 30 ARG CG . 11578 2 390 . 2 2 32 32 ARG CD C 13 43.9040 0.0000 . 1 . . . B 30 ARG CD . 11578 2 391 . 2 2 32 32 ARG N N 15 116.8780 0.0000 . 1 . . . B 30 ARG N . 11578 2 392 . 2 2 33 33 ILE H H 1 8.2750 0.0000 . 1 . . . B 31 ILE H . 11578 2 393 . 2 2 33 33 ILE HA H 1 5.1880 0.0000 . 1 . . . B 31 ILE HA . 11578 2 394 . 2 2 33 33 ILE HB H 1 2.0010 0.0000 . 1 . . . B 31 ILE HB . 11578 2 395 . 2 2 33 33 ILE HG12 H 1 1.8490 0.0000 . 2 . . . B 31 ILE HG12 . 11578 2 396 . 2 2 33 33 ILE HG13 H 1 0.9400 0.0000 . 2 . . . B 31 ILE HG13 . 11578 2 397 . 2 2 33 33 ILE HG21 H 1 1.1150 0.0000 . 1 . . . B 31 ILE HG21 . 11578 2 398 . 2 2 33 33 ILE HG22 H 1 1.1150 0.0000 . 1 . . . B 31 ILE HG22 . 11578 2 399 . 2 2 33 33 ILE HG23 H 1 1.1150 0.0000 . 1 . . . B 31 ILE HG23 . 11578 2 400 . 2 2 33 33 ILE HD11 H 1 0.9790 0.0000 . 1 . . . B 31 ILE HD11 . 11578 2 401 . 2 2 33 33 ILE HD12 H 1 0.9790 0.0000 . 1 . . . B 31 ILE HD12 . 11578 2 402 . 2 2 33 33 ILE HD13 H 1 0.9790 0.0000 . 1 . . . B 31 ILE HD13 . 11578 2 403 . 2 2 33 33 ILE C C 13 171.4850 0.0000 . 1 . . . B 31 ILE C . 11578 2 404 . 2 2 33 33 ILE CA C 13 57.8120 0.0000 . 1 . . . B 31 ILE CA . 11578 2 405 . 2 2 33 33 ILE CB C 13 41.5850 0.0000 . 1 . . . B 31 ILE CB . 11578 2 406 . 2 2 33 33 ILE CG1 C 13 28.8360 0.0000 . 1 . . . B 31 ILE CG1 . 11578 2 407 . 2 2 33 33 ILE CG2 C 13 16.0760 0.0000 . 1 . . . B 31 ILE CG2 . 11578 2 408 . 2 2 33 33 ILE CD1 C 13 14.9170 0.0000 . 1 . . . B 31 ILE CD1 . 11578 2 409 . 2 2 33 33 ILE N N 15 118.7080 0.0000 . 1 . . . B 31 ILE N . 11578 2 410 . 2 2 34 34 ALA H H 1 9.2420 0.0000 . 1 . . . B 32 ALA H . 11578 2 411 . 2 2 34 34 ALA HA H 1 5.0240 0.0000 . 1 . . . B 32 ALA HA . 11578 2 412 . 2 2 34 34 ALA HB1 H 1 0.3070 0.0000 . 1 . . . B 32 ALA HB1 . 11578 2 413 . 2 2 34 34 ALA HB2 H 1 0.3070 0.0000 . 1 . . . B 32 ALA HB2 . 11578 2 414 . 2 2 34 34 ALA HB3 H 1 0.3070 0.0000 . 1 . . . B 32 ALA HB3 . 11578 2 415 . 2 2 34 34 ALA C C 13 173.9620 0.0000 . 1 . . . B 32 ALA C . 11578 2 416 . 2 2 34 34 ALA CA C 13 50.2780 0.0000 . 1 . . . B 32 ALA CA . 11578 2 417 . 2 2 34 34 ALA CB C 13 21.8710 0.0000 . 1 . . . B 32 ALA CB . 11578 2 418 . 2 2 34 34 ALA N N 15 129.7650 0.0000 . 1 . . . B 32 ALA N . 11578 2 419 . 2 2 35 35 TRP H H 1 8.7770 0.0000 . 1 . . . B 33 TRP H . 11578 2 420 . 2 2 35 35 TRP HA H 1 5.7440 0.0000 . 1 . . . B 33 TRP HA . 11578 2 421 . 2 2 35 35 TRP HB2 H 1 3.2360 0.0000 . 2 . . . B 33 TRP HB2 . 11578 2 422 . 2 2 35 35 TRP HB3 H 1 3.0040 0.0000 . 2 . . . B 33 TRP HB3 . 11578 2 423 . 2 2 35 35 TRP HD1 H 1 6.4470 0.0000 . 1 . . . B 33 TRP HD1 . 11578 2 424 . 2 2 35 35 TRP HE1 H 1 9.9860 0.0000 . 1 . . . B 33 TRP HE1 . 11578 2 425 . 2 2 35 35 TRP HE3 H 1 7.5500 0.0000 . 1 . . . B 33 TRP HE3 . 11578 2 426 . 2 2 35 35 TRP HZ2 H 1 7.8400 0.0000 . 1 . . . B 33 TRP HZ2 . 11578 2 427 . 2 2 35 35 TRP HZ3 H 1 7.1140 0.0000 . 1 . . . B 33 TRP HZ3 . 11578 2 428 . 2 2 35 35 TRP HH2 H 1 7.1820 0.0000 . 1 . . . B 33 TRP HH2 . 11578 2 429 . 2 2 35 35 TRP C C 13 174.3250 0.0000 . 1 . . . B 33 TRP C . 11578 2 430 . 2 2 35 35 TRP CA C 13 56.6530 0.0000 . 1 . . . B 33 TRP CA . 11578 2 431 . 2 2 35 35 TRP CB C 13 34.0520 0.0000 . 1 . . . B 33 TRP CB . 11578 2 432 . 2 2 35 35 TRP CD1 C 13 125.6170 0.0000 . 1 . . . B 33 TRP CD1 . 11578 2 433 . 2 2 35 35 TRP CE3 C 13 120.4020 0.0000 . 1 . . . B 33 TRP CE3 . 11578 2 434 . 2 2 35 35 TRP CZ2 C 13 115.1860 0.0000 . 1 . . . B 33 TRP CZ2 . 11578 2 435 . 2 2 35 35 TRP CZ3 C 13 122.1400 0.0000 . 1 . . . B 33 TRP CZ3 . 11578 2 436 . 2 2 35 35 TRP CH2 C 13 124.4580 0.0000 . 1 . . . B 33 TRP CH2 . 11578 2 437 . 2 2 35 35 TRP N N 15 121.1780 0.0000 . 1 . . . B 33 TRP N . 11578 2 438 . 2 2 35 35 TRP NE1 N 15 129.5020 0.0000 . 1 . . . B 33 TRP NE1 . 11578 2 439 . 2 2 36 36 ALA H H 1 8.0810 0.0000 . 1 . . . B 34 ALA H . 11578 2 440 . 2 2 36 36 ALA HA H 1 5.0840 0.0000 . 1 . . . B 34 ALA HA . 11578 2 441 . 2 2 36 36 ALA HB1 H 1 1.0780 0.0000 . 1 . . . B 34 ALA HB1 . 11578 2 442 . 2 2 36 36 ALA HB2 H 1 1.0780 0.0000 . 1 . . . B 34 ALA HB2 . 11578 2 443 . 2 2 36 36 ALA HB3 H 1 1.0780 0.0000 . 1 . . . B 34 ALA HB3 . 11578 2 444 . 2 2 36 36 ALA CA C 13 47.9600 0.0000 . 1 . . . B 34 ALA CA . 11578 2 445 . 2 2 36 36 ALA CB C 13 22.4510 0.0000 . 1 . . . B 34 ALA CB . 11578 2 446 . 2 2 36 36 ALA N N 15 130.9650 0.0000 . 1 . . . B 34 ALA N . 11578 2 447 . 2 2 37 37 PRO HA H 1 4.0900 0.0000 . 1 . . . B 35 PRO HA . 11578 2 448 . 2 2 37 37 PRO HB2 H 1 1.8110 0.0000 . 2 . . . B 35 PRO HB2 . 11578 2 449 . 2 2 37 37 PRO HB3 H 1 2.3800 0.0000 . 2 . . . B 35 PRO HB3 . 11578 2 450 . 2 2 37 37 PRO HG2 H 1 2.2080 0.0000 . 2 . . . B 35 PRO HG2 . 11578 2 451 . 2 2 37 37 PRO HG3 H 1 1.9930 0.0000 . 2 . . . B 35 PRO HG3 . 11578 2 452 . 2 2 37 37 PRO HD2 H 1 3.9730 0.0000 . 2 . . . B 35 PRO HD2 . 11578 2 453 . 2 2 37 37 PRO HD3 H 1 3.5720 0.0000 . 2 . . . B 35 PRO HD3 . 11578 2 454 . 2 2 37 37 PRO C C 13 177.4350 0.0000 . 1 . . . B 35 PRO C . 11578 2 455 . 2 2 37 37 PRO CA C 13 61.8790 0.0000 . 1 . . . B 35 PRO CA . 11578 2 456 . 2 2 37 37 PRO CB C 13 31.7330 0.0000 . 1 . . . B 35 PRO CB . 11578 2 457 . 2 2 37 37 PRO CG C 13 27.0970 0.0000 . 1 . . . B 35 PRO CG . 11578 2 458 . 2 2 37 37 PRO CD C 13 50.8580 0.0000 . 1 . . . B 35 PRO CD . 11578 2 459 . 2 2 38 38 GLU H H 1 8.7170 0.0000 . 1 . . . B 36 GLU H . 11578 2 460 . 2 2 38 38 GLU HA H 1 4.1040 0.0000 . 1 . . . B 36 GLU HA . 11578 2 461 . 2 2 38 38 GLU HB2 H 1 1.9780 0.0000 . 2 . . . B 36 GLU HB2 . 11578 2 462 . 2 2 38 38 GLU HB3 H 1 1.9780 0.0000 . 2 . . . B 36 GLU HB3 . 11578 2 463 . 2 2 38 38 GLU HG2 H 1 2.2620 0.0000 . 2 . . . B 36 GLU HG2 . 11578 2 464 . 2 2 38 38 GLU C C 13 177.1650 0.0000 . 1 . . . B 36 GLU C . 11578 2 465 . 2 2 38 38 GLU CA C 13 57.8120 0.0000 . 1 . . . B 36 GLU CA . 11578 2 466 . 2 2 38 38 GLU CB C 13 29.4150 0.0000 . 1 . . . B 36 GLU CB . 11578 2 467 . 2 2 38 38 GLU CG C 13 35.7900 0.0000 . 1 . . . B 36 GLU CG . 11578 2 468 . 2 2 38 38 GLU N N 15 124.4440 0.0000 . 1 . . . B 36 GLU N . 11578 2 469 . 2 2 39 39 GLY H H 1 8.6470 0.0000 . 1 . . . B 37 GLY H . 11578 2 470 . 2 2 39 39 GLY HA2 H 1 4.2060 0.0000 . 2 . . . B 37 GLY HA2 . 11578 2 471 . 2 2 39 39 GLY HA3 H 1 3.6950 0.0000 . 2 . . . B 37 GLY HA3 . 11578 2 472 . 2 2 39 39 GLY C C 13 174.0190 0.0000 . 1 . . . B 37 GLY C . 11578 2 473 . 2 2 39 39 GLY CA C 13 45.0630 0.0000 . 1 . . . B 37 GLY CA . 11578 2 474 . 2 2 39 39 GLY N N 15 112.1660 0.0000 . 1 . . . B 37 GLY N . 11578 2 475 . 2 2 40 40 LYS H H 1 7.6450 0.0000 . 1 . . . B 38 LYS H . 11578 2 476 . 2 2 40 40 LYS HA H 1 4.6080 0.0000 . 1 . . . B 38 LYS HA . 11578 2 477 . 2 2 40 40 LYS HB2 H 1 1.8750 0.0000 . 2 . . . B 38 LYS HB2 . 11578 2 478 . 2 2 40 40 LYS HB3 H 1 1.8200 0.0000 . 2 . . . B 38 LYS HB3 . 11578 2 479 . 2 2 40 40 LYS HG2 H 1 1.4250 0.0000 . 2 . . . B 38 LYS HG2 . 11578 2 480 . 2 2 40 40 LYS HG3 H 1 1.3470 0.0000 . 2 . . . B 38 LYS HG3 . 11578 2 481 . 2 2 40 40 LYS HD2 H 1 1.6690 0.0000 . 2 . . . B 38 LYS HD2 . 11578 2 482 . 2 2 40 40 LYS HD3 H 1 1.6010 0.0000 . 2 . . . B 38 LYS HD3 . 11578 2 483 . 2 2 40 40 LYS HE2 H 1 2.9790 0.0000 . 2 . . . B 38 LYS HE2 . 11578 2 484 . 2 2 40 40 LYS HE3 H 1 2.9570 0.0000 . 2 . . . B 38 LYS HE3 . 11578 2 485 . 2 2 40 40 LYS C C 13 175.7560 0.0000 . 1 . . . B 38 LYS C . 11578 2 486 . 2 2 40 40 LYS CA C 13 54.3350 0.0000 . 1 . . . B 38 LYS CA . 11578 2 487 . 2 2 40 40 LYS CB C 13 34.0520 0.0000 . 1 . . . B 38 LYS CB . 11578 2 488 . 2 2 40 40 LYS CG C 13 25.3590 0.0000 . 1 . . . B 38 LYS CG . 11578 2 489 . 2 2 40 40 LYS CD C 13 28.2560 0.0000 . 1 . . . B 38 LYS CD . 11578 2 490 . 2 2 40 40 LYS CE C 13 42.1650 0.0000 . 1 . . . B 38 LYS CE . 11578 2 491 . 2 2 40 40 LYS N N 15 119.9360 0.0000 . 1 . . . B 38 LYS N . 11578 2 492 . 2 2 41 41 ASP H H 1 8.2020 0.0000 . 1 . . . B 39 ASP H . 11578 2 493 . 2 2 41 41 ASP HA H 1 4.4040 0.0000 . 1 . . . B 39 ASP HA . 11578 2 494 . 2 2 41 41 ASP HB2 H 1 2.6560 0.0000 . 2 . . . B 39 ASP HB2 . 11578 2 495 . 2 2 41 41 ASP HB3 H 1 2.5160 0.0000 . 2 . . . B 39 ASP HB3 . 11578 2 496 . 2 2 41 41 ASP C C 13 174.8500 0.0000 . 1 . . . B 39 ASP C . 11578 2 497 . 2 2 41 41 ASP CA C 13 53.1760 0.0000 . 1 . . . B 39 ASP CA . 11578 2 498 . 2 2 41 41 ASP CB C 13 40.4260 0.0000 . 1 . . . B 39 ASP CB . 11578 2 499 . 2 2 41 41 ASP N N 15 120.1410 0.0000 . 1 . . . B 39 ASP N . 11578 2 500 . 2 2 42 42 ARG H H 1 6.8560 0.0000 . 1 . . . B 40 ARG H . 11578 2 501 . 2 2 42 42 ARG HA H 1 4.2280 0.0000 . 1 . . . B 40 ARG HA . 11578 2 502 . 2 2 42 42 ARG HB2 H 1 1.6660 0.0000 . 2 . . . B 40 ARG HB2 . 11578 2 503 . 2 2 42 42 ARG HB3 H 1 1.5690 0.0000 . 2 . . . B 40 ARG HB3 . 11578 2 504 . 2 2 42 42 ARG HG2 H 1 1.4290 0.0000 . 2 . . . B 40 ARG HG2 . 11578 2 505 . 2 2 42 42 ARG HD2 H 1 3.1130 0.0000 . 2 . . . B 40 ARG HD2 . 11578 2 506 . 2 2 42 42 ARG C C 13 174.5570 0.0000 . 1 . . . B 40 ARG C . 11578 2 507 . 2 2 42 42 ARG CA C 13 53.7560 0.0000 . 1 . . . B 40 ARG CA . 11578 2 508 . 2 2 42 42 ARG CB C 13 32.3130 0.0000 . 1 . . . B 40 ARG CB . 11578 2 509 . 2 2 42 42 ARG CG C 13 25.9380 0.0000 . 1 . . . B 40 ARG CG . 11578 2 510 . 2 2 42 42 ARG CD C 13 43.3240 0.0000 . 1 . . . B 40 ARG CD . 11578 2 511 . 2 2 42 42 ARG N N 15 116.6700 0.0000 . 1 . . . B 40 ARG N . 11578 2 512 . 2 2 43 43 PHE H H 1 7.8880 0.0000 . 1 . . . B 41 PHE H . 11578 2 513 . 2 2 43 43 PHE HA H 1 4.7080 0.0000 . 1 . . . B 41 PHE HA . 11578 2 514 . 2 2 43 43 PHE HB2 H 1 3.1970 0.0000 . 1 . . . B 41 PHE HB2 . 11578 2 515 . 2 2 43 43 PHE HB3 H 1 2.7390 0.0000 . 1 . . . B 41 PHE HB3 . 11578 2 516 . 2 2 43 43 PHE HD1 H 1 6.9090 0.0000 . 3 . . . B 41 PHE HD1 . 11578 2 517 . 2 2 43 43 PHE HD2 H 1 6.9090 0.0000 . 3 . . . B 41 PHE HD2 . 11578 2 518 . 2 2 43 43 PHE HE1 H 1 6.5150 0.0000 . 3 . . . B 41 PHE HE1 . 11578 2 519 . 2 2 43 43 PHE HE2 H 1 6.5150 0.0000 . 3 . . . B 41 PHE HE2 . 11578 2 520 . 2 2 43 43 PHE HZ H 1 6.4990 0.0000 . 1 . . . B 41 PHE HZ . 11578 2 521 . 2 2 43 43 PHE C C 13 177.5100 0.0000 . 1 . . . B 41 PHE C . 11578 2 522 . 2 2 43 43 PHE CA C 13 57.2330 0.0000 . 1 . . . B 41 PHE CA . 11578 2 523 . 2 2 43 43 PHE CB C 13 38.6880 0.0000 . 1 . . . B 41 PHE CB . 11578 2 524 . 2 2 43 43 PHE CD1 C 13 131.4130 0.0000 . 3 . . . B 41 PHE CD1 . 11578 2 525 . 2 2 43 43 PHE CD2 C 13 131.4130 0.0000 . 3 . . . B 41 PHE CD2 . 11578 2 526 . 2 2 43 43 PHE CE1 C 13 131.4130 0.0000 . 3 . . . B 41 PHE CE1 . 11578 2 527 . 2 2 43 43 PHE CE2 C 13 131.4130 0.0000 . 3 . . . B 41 PHE CE2 . 11578 2 528 . 2 2 43 43 PHE CZ C 13 128.5150 0.0000 . 1 . . . B 41 PHE CZ . 11578 2 529 . 2 2 43 43 PHE N N 15 120.0170 0.0000 . 1 . . . B 41 PHE N . 11578 2 530 . 2 2 44 44 THR H H 1 8.6740 0.0000 . 1 . . . B 42 THR H . 11578 2 531 . 2 2 44 44 THR HA H 1 4.5950 0.0000 . 1 . . . B 42 THR HA . 11578 2 532 . 2 2 44 44 THR HB H 1 4.5090 0.0000 . 1 . . . B 42 THR HB . 11578 2 533 . 2 2 44 44 THR HG21 H 1 1.2820 0.0000 . 1 . . . B 42 THR HG21 . 11578 2 534 . 2 2 44 44 THR HG22 H 1 1.2820 0.0000 . 1 . . . B 42 THR HG22 . 11578 2 535 . 2 2 44 44 THR HG23 H 1 1.2820 0.0000 . 1 . . . B 42 THR HG23 . 11578 2 536 . 2 2 44 44 THR C C 13 174.7730 0.0000 . 1 . . . B 42 THR C . 11578 2 537 . 2 2 44 44 THR CA C 13 62.4590 0.0000 . 1 . . . B 42 THR CA . 11578 2 538 . 2 2 44 44 THR CB C 13 68.8330 0.0000 . 1 . . . B 42 THR CB . 11578 2 539 . 2 2 44 44 THR CG2 C 13 23.0300 0.0000 . 1 . . . B 42 THR CG2 . 11578 2 540 . 2 2 44 44 THR N N 15 114.4420 0.0000 . 1 . . . B 42 THR N . 11578 2 541 . 2 2 45 45 ILE H H 1 7.8720 0.0000 . 1 . . . B 43 ILE H . 11578 2 542 . 2 2 45 45 ILE HA H 1 4.3010 0.0000 . 1 . . . B 43 ILE HA . 11578 2 543 . 2 2 45 45 ILE HB H 1 1.9820 0.0000 . 1 . . . B 43 ILE HB . 11578 2 544 . 2 2 45 45 ILE HG12 H 1 1.5260 0.0000 . 2 . . . B 43 ILE HG12 . 11578 2 545 . 2 2 45 45 ILE HG13 H 1 1.3070 0.0000 . 2 . . . B 43 ILE HG13 . 11578 2 546 . 2 2 45 45 ILE HG21 H 1 0.6530 0.0000 . 1 . . . B 43 ILE HG21 . 11578 2 547 . 2 2 45 45 ILE HG22 H 1 0.6530 0.0000 . 1 . . . B 43 ILE HG22 . 11578 2 548 . 2 2 45 45 ILE HG23 H 1 0.6530 0.0000 . 1 . . . B 43 ILE HG23 . 11578 2 549 . 2 2 45 45 ILE HD11 H 1 0.6700 0.0000 . 1 . . . B 43 ILE HD11 . 11578 2 550 . 2 2 45 45 ILE HD12 H 1 0.6700 0.0000 . 1 . . . B 43 ILE HD12 . 11578 2 551 . 2 2 45 45 ILE HD13 H 1 0.6700 0.0000 . 1 . . . B 43 ILE HD13 . 11578 2 552 . 2 2 45 45 ILE C C 13 174.6950 0.0000 . 1 . . . B 43 ILE C . 11578 2 553 . 2 2 45 45 ILE CA C 13 59.5510 0.0000 . 1 . . . B 43 ILE CA . 11578 2 554 . 2 2 45 45 ILE CB C 13 41.5850 0.0000 . 1 . . . B 43 ILE CB . 11578 2 555 . 2 2 45 45 ILE CG1 C 13 27.0970 0.0000 . 1 . . . B 43 ILE CG1 . 11578 2 556 . 2 2 45 45 ILE CG2 C 13 16.6560 0.0000 . 1 . . . B 43 ILE CG2 . 11578 2 557 . 2 2 45 45 ILE CD1 C 13 12.5990 0.0000 . 1 . . . B 43 ILE CD1 . 11578 2 558 . 2 2 45 45 ILE N N 15 123.8200 0.0000 . 1 . . . B 43 ILE N . 11578 2 559 . 2 2 46 46 SER H H 1 8.0750 0.0000 . 1 . . . B 44 SER H . 11578 2 560 . 2 2 46 46 SER HA H 1 4.7170 0.0000 . 1 . . . B 44 SER HA . 11578 2 561 . 2 2 46 46 SER HB2 H 1 3.5470 0.0000 . 1 . . . B 44 SER HB2 . 11578 2 562 . 2 2 46 46 SER HB3 H 1 3.3130 0.0000 . 1 . . . B 44 SER HB3 . 11578 2 563 . 2 2 46 46 SER C C 13 172.7990 0.0000 . 1 . . . B 44 SER C . 11578 2 564 . 2 2 46 46 SER CA C 13 57.2330 0.0000 . 1 . . . B 44 SER CA . 11578 2 565 . 2 2 46 46 SER CB C 13 63.0380 0.0000 . 1 . . . B 44 SER CB . 11578 2 566 . 2 2 46 46 SER N N 15 120.3790 0.0000 . 1 . . . B 44 SER N . 11578 2 567 . 2 2 47 47 HIS H H 1 9.0370 0.0000 . 1 . . . B 45 HIS H . 11578 2 568 . 2 2 47 47 HIS HA H 1 5.2710 0.0000 . 1 . . . B 45 HIS HA . 11578 2 569 . 2 2 47 47 HIS HB2 H 1 2.6330 0.0000 . 1 . . . B 45 HIS HB2 . 11578 2 570 . 2 2 47 47 HIS HB3 H 1 2.8440 0.0000 . 1 . . . B 45 HIS HB3 . 11578 2 571 . 2 2 47 47 HIS HD2 H 1 6.3950 0.0000 . 1 . . . B 45 HIS HD2 . 11578 2 572 . 2 2 47 47 HIS C C 13 175.0110 0.0000 . 1 . . . B 45 HIS C . 11578 2 573 . 2 2 47 47 HIS CA C 13 53.1760 0.0000 . 1 . . . B 45 HIS CA . 11578 2 574 . 2 2 47 47 HIS CB C 13 31.7330 0.0000 . 1 . . . B 45 HIS CB . 11578 2 575 . 2 2 47 47 HIS CD2 C 13 122.7200 0.0000 . 1 . . . B 45 HIS CD2 . 11578 2 576 . 2 2 47 47 HIS N N 15 125.6770 0.0000 . 1 . . . B 45 HIS N . 11578 2 577 . 2 2 48 48 MET H H 1 9.2330 0.0000 . 1 . . . B 46 MET H . 11578 2 578 . 2 2 48 48 MET HA H 1 4.3450 0.0000 . 1 . . . B 46 MET HA . 11578 2 579 . 2 2 48 48 MET HB2 H 1 2.4610 0.0000 . 1 . . . B 46 MET HB2 . 11578 2 580 . 2 2 48 48 MET HB3 H 1 1.9630 0.0000 . 1 . . . B 46 MET HB3 . 11578 2 581 . 2 2 48 48 MET HG2 H 1 2.7820 0.0000 . 2 . . . B 46 MET HG2 . 11578 2 582 . 2 2 48 48 MET HG3 H 1 2.5910 0.0000 . 2 . . . B 46 MET HG3 . 11578 2 583 . 2 2 48 48 MET HE1 H 1 2.0240 0.0000 . 1 . . . B 46 MET HE1 . 11578 2 584 . 2 2 48 48 MET HE2 H 1 2.0240 0.0000 . 1 . . . B 46 MET HE2 . 11578 2 585 . 2 2 48 48 MET HE3 H 1 2.0240 0.0000 . 1 . . . B 46 MET HE3 . 11578 2 586 . 2 2 48 48 MET C C 13 178.9730 0.0000 . 1 . . . B 46 MET C . 11578 2 587 . 2 2 48 48 MET CA C 13 54.3350 0.0000 . 1 . . . B 46 MET CA . 11578 2 588 . 2 2 48 48 MET CB C 13 29.4150 0.0000 . 1 . . . B 46 MET CB . 11578 2 589 . 2 2 48 48 MET CG C 13 32.3130 0.0000 . 1 . . . B 46 MET CG . 11578 2 590 . 2 2 48 48 MET CE C 13 16.6560 0.0000 . 1 . . . B 46 MET CE . 11578 2 591 . 2 2 48 48 MET N N 15 124.5090 0.0000 . 1 . . . B 46 MET N . 11578 2 592 . 2 2 49 49 TYR H H 1 7.7660 0.0000 . 1 . . . B 47 TYR H . 11578 2 593 . 2 2 49 49 TYR HA H 1 4.3290 0.0000 . 1 . . . B 47 TYR HA . 11578 2 594 . 2 2 49 49 TYR HB2 H 1 2.9470 0.0000 . 1 . . . B 47 TYR HB2 . 11578 2 595 . 2 2 49 49 TYR HB3 H 1 2.3260 0.0000 . 1 . . . B 47 TYR HB3 . 11578 2 596 . 2 2 49 49 TYR HD1 H 1 6.6030 0.0000 . 3 . . . B 47 TYR HD1 . 11578 2 597 . 2 2 49 49 TYR HD2 H 1 6.6030 0.0000 . 3 . . . B 47 TYR HD2 . 11578 2 598 . 2 2 49 49 TYR HE1 H 1 6.6040 0.0000 . 3 . . . B 47 TYR HE1 . 11578 2 599 . 2 2 49 49 TYR HE2 H 1 6.6040 0.0000 . 3 . . . B 47 TYR HE2 . 11578 2 600 . 2 2 49 49 TYR C C 13 179.2470 0.0000 . 1 . . . B 47 TYR C . 11578 2 601 . 2 2 49 49 TYR CA C 13 60.1300 0.0000 . 1 . . . B 47 TYR CA . 11578 2 602 . 2 2 49 49 TYR CB C 13 36.9490 0.0000 . 1 . . . B 47 TYR CB . 11578 2 603 . 2 2 49 49 TYR CD1 C 13 130.2540 0.0000 . 3 . . . B 47 TYR CD1 . 11578 2 604 . 2 2 49 49 TYR CD2 C 13 130.2540 0.0000 . 3 . . . B 47 TYR CD2 . 11578 2 605 . 2 2 49 49 TYR CE1 C 13 119.8220 0.0000 . 3 . . . B 47 TYR CE1 . 11578 2 606 . 2 2 49 49 TYR CE2 C 13 119.8220 0.0000 . 3 . . . B 47 TYR CE2 . 11578 2 607 . 2 2 49 49 TYR N N 15 125.1700 0.0000 . 1 . . . B 47 TYR N . 11578 2 608 . 2 2 50 50 ALA H H 1 8.8050 0.0000 . 1 . . . B 48 ALA H . 11578 2 609 . 2 2 50 50 ALA HA H 1 4.3870 0.0000 . 1 . . . B 48 ALA HA . 11578 2 610 . 2 2 50 50 ALA HB1 H 1 1.5290 0.0000 . 1 . . . B 48 ALA HB1 . 11578 2 611 . 2 2 50 50 ALA HB2 H 1 1.5290 0.0000 . 1 . . . B 48 ALA HB2 . 11578 2 612 . 2 2 50 50 ALA HB3 H 1 1.5290 0.0000 . 1 . . . B 48 ALA HB3 . 11578 2 613 . 2 2 50 50 ALA C C 13 178.2130 0.0000 . 1 . . . B 48 ALA C . 11578 2 614 . 2 2 50 50 ALA CA C 13 53.7560 0.0000 . 1 . . . B 48 ALA CA . 11578 2 615 . 2 2 50 50 ALA CB C 13 19.5530 0.0000 . 1 . . . B 48 ALA CB . 11578 2 616 . 2 2 50 50 ALA N N 15 119.4430 0.0000 . 1 . . . B 48 ALA N . 11578 2 617 . 2 2 51 51 ASP H H 1 7.8460 0.0000 . 1 . . . B 49 ASP H . 11578 2 618 . 2 2 51 51 ASP HA H 1 5.0180 0.0000 . 1 . . . B 49 ASP HA . 11578 2 619 . 2 2 51 51 ASP HB2 H 1 3.0560 0.0000 . 1 . . . B 49 ASP HB2 . 11578 2 620 . 2 2 51 51 ASP HB3 H 1 2.9230 0.0000 . 1 . . . B 49 ASP HB3 . 11578 2 621 . 2 2 51 51 ASP C C 13 175.7730 0.0000 . 1 . . . B 49 ASP C . 11578 2 622 . 2 2 51 51 ASP CA C 13 54.9150 0.0000 . 1 . . . B 49 ASP CA . 11578 2 623 . 2 2 51 51 ASP CB C 13 41.5850 0.0000 . 1 . . . B 49 ASP CB . 11578 2 624 . 2 2 51 51 ASP N N 15 115.6580 0.0000 . 1 . . . B 49 ASP N . 11578 2 625 . 2 2 52 52 ILE H H 1 7.6620 0.0000 . 1 . . . B 50 ILE H . 11578 2 626 . 2 2 52 52 ILE HA H 1 3.8280 0.0000 . 1 . . . B 50 ILE HA . 11578 2 627 . 2 2 52 52 ILE HB H 1 2.0530 0.0000 . 1 . . . B 50 ILE HB . 11578 2 628 . 2 2 52 52 ILE HG12 H 1 1.9050 0.0000 . 2 . . . B 50 ILE HG12 . 11578 2 629 . 2 2 52 52 ILE HG13 H 1 0.5400 0.0000 . 2 . . . B 50 ILE HG13 . 11578 2 630 . 2 2 52 52 ILE HG21 H 1 0.7640 0.0000 . 1 . . . B 50 ILE HG21 . 11578 2 631 . 2 2 52 52 ILE HG22 H 1 0.7640 0.0000 . 1 . . . B 50 ILE HG22 . 11578 2 632 . 2 2 52 52 ILE HG23 H 1 0.7640 0.0000 . 1 . . . B 50 ILE HG23 . 11578 2 633 . 2 2 52 52 ILE HD11 H 1 0.9660 0.0000 . 1 . . . B 50 ILE HD11 . 11578 2 634 . 2 2 52 52 ILE HD12 H 1 0.9660 0.0000 . 1 . . . B 50 ILE HD12 . 11578 2 635 . 2 2 52 52 ILE HD13 H 1 0.9660 0.0000 . 1 . . . B 50 ILE HD13 . 11578 2 636 . 2 2 52 52 ILE C C 13 172.8850 0.0000 . 1 . . . B 50 ILE C . 11578 2 637 . 2 2 52 52 ILE CA C 13 61.8790 0.0000 . 1 . . . B 50 ILE CA . 11578 2 638 . 2 2 52 52 ILE CB C 13 39.2670 0.0000 . 1 . . . B 50 ILE CB . 11578 2 639 . 2 2 52 52 ILE CG1 C 13 27.0970 0.0000 . 1 . . . B 50 ILE CG1 . 11578 2 640 . 2 2 52 52 ILE CG2 C 13 18.3940 0.0000 . 1 . . . B 50 ILE CG2 . 11578 2 641 . 2 2 52 52 ILE CD1 C 13 15.4970 0.0000 . 1 . . . B 50 ILE CD1 . 11578 2 642 . 2 2 52 52 ILE N N 15 125.0040 0.0000 . 1 . . . B 50 ILE N . 11578 2 643 . 2 2 53 53 LYS H H 1 9.1410 0.0000 . 1 . . . B 51 LYS H . 11578 2 644 . 2 2 53 53 LYS HA H 1 3.6610 0.0000 . 1 . . . B 51 LYS HA . 11578 2 645 . 2 2 53 53 LYS HB2 H 1 1.2830 0.0000 . 1 . . . B 51 LYS HB2 . 11578 2 646 . 2 2 53 53 LYS HB3 H 1 0.8140 0.0000 . 1 . . . B 51 LYS HB3 . 11578 2 647 . 2 2 53 53 LYS HG2 H 1 1.3420 0.0000 . 2 . . . B 51 LYS HG2 . 11578 2 648 . 2 2 53 53 LYS HG3 H 1 1.0860 0.0000 . 2 . . . B 51 LYS HG3 . 11578 2 649 . 2 2 53 53 LYS HD2 H 1 1.6780 0.0000 . 2 . . . B 51 LYS HD2 . 11578 2 650 . 2 2 53 53 LYS HD3 H 1 1.5380 0.0000 . 2 . . . B 51 LYS HD3 . 11578 2 651 . 2 2 53 53 LYS HE2 H 1 2.9400 0.0000 . 2 . . . B 51 LYS HE2 . 11578 2 652 . 2 2 53 53 LYS C C 13 176.6950 0.0000 . 1 . . . B 51 LYS C . 11578 2 653 . 2 2 53 53 LYS CA C 13 57.8120 0.0000 . 1 . . . B 51 LYS CA . 11578 2 654 . 2 2 53 53 LYS CB C 13 34.0520 0.0000 . 1 . . . B 51 LYS CB . 11578 2 655 . 2 2 53 53 LYS CG C 13 24.7790 0.0000 . 1 . . . B 51 LYS CG . 11578 2 656 . 2 2 53 53 LYS CD C 13 29.9950 0.0000 . 1 . . . B 51 LYS CD . 11578 2 657 . 2 2 53 53 LYS CE C 13 41.5850 0.0000 . 1 . . . B 51 LYS CE . 11578 2 658 . 2 2 53 53 LYS N N 15 128.6840 0.0000 . 1 . . . B 51 LYS N . 11578 2 659 . 2 2 54 54 CYS H H 1 7.7900 0.0000 . 1 . . . B 52 CYS H . 11578 2 660 . 2 2 54 54 CYS HA H 1 4.7420 0.0000 . 1 . . . B 52 CYS HA . 11578 2 661 . 2 2 54 54 CYS HB2 H 1 3.1530 0.0000 . 2 . . . B 52 CYS HB2 . 11578 2 662 . 2 2 54 54 CYS C C 13 170.0900 0.0000 . 1 . . . B 52 CYS C . 11578 2 663 . 2 2 54 54 CYS CA C 13 55.4940 0.0000 . 1 . . . B 52 CYS CA . 11578 2 664 . 2 2 54 54 CYS CB C 13 29.4150 0.0000 . 1 . . . B 52 CYS CB . 11578 2 665 . 2 2 54 54 CYS N N 15 110.5340 0.0000 . 1 . . . B 52 CYS N . 11578 2 666 . 2 2 55 55 GLN H H 1 8.4550 0.0000 . 1 . . . B 53 GLN H . 11578 2 667 . 2 2 55 55 GLN HA H 1 5.8000 0.0000 . 1 . . . B 53 GLN HA . 11578 2 668 . 2 2 55 55 GLN HB2 H 1 1.5930 0.0000 . 2 . . . B 53 GLN HB2 . 11578 2 669 . 2 2 55 55 GLN HG2 H 1 2.2680 0.0000 . 2 . . . B 53 GLN HG2 . 11578 2 670 . 2 2 55 55 GLN HG3 H 1 2.0850 0.0000 . 2 . . . B 53 GLN HG3 . 11578 2 671 . 2 2 55 55 GLN HE21 H 1 6.4920 0.0000 . 2 . . . B 53 GLN HE21 . 11578 2 672 . 2 2 55 55 GLN HE22 H 1 7.1360 0.0000 . 2 . . . B 53 GLN HE22 . 11578 2 673 . 2 2 55 55 GLN C C 13 174.5280 0.0000 . 1 . . . B 53 GLN C . 11578 2 674 . 2 2 55 55 GLN CA C 13 52.5970 0.0000 . 1 . . . B 53 GLN CA . 11578 2 675 . 2 2 55 55 GLN CB C 13 31.7340 0.0000 . 1 . . . B 53 GLN CB . 11578 2 676 . 2 2 55 55 GLN CG C 13 31.7340 0.0000 . 1 . . . B 53 GLN CG . 11578 2 677 . 2 2 55 55 GLN N N 15 116.6890 0.0000 . 1 . . . B 53 GLN N . 11578 2 678 . 2 2 55 55 GLN NE2 N 15 104.8130 0.0000 . 1 . . . B 53 GLN NE2 . 11578 2 679 . 2 2 56 56 LYS H H 1 9.3440 0.0000 . 1 . . . B 54 LYS H . 11578 2 680 . 2 2 56 56 LYS HA H 1 5.1790 0.0000 . 1 . . . B 54 LYS HA . 11578 2 681 . 2 2 56 56 LYS HB2 H 1 1.7990 0.0000 . 1 . . . B 54 LYS HB2 . 11578 2 682 . 2 2 56 56 LYS HB3 H 1 1.5920 0.0000 . 1 . . . B 54 LYS HB3 . 11578 2 683 . 2 2 56 56 LYS HG2 H 1 1.2790 0.0000 . 2 . . . B 54 LYS HG2 . 11578 2 684 . 2 2 56 56 LYS HG3 H 1 1.1620 0.0000 . 2 . . . B 54 LYS HG3 . 11578 2 685 . 2 2 56 56 LYS HD2 H 1 1.5220 0.0000 . 2 . . . B 54 LYS HD2 . 11578 2 686 . 2 2 56 56 LYS HD3 H 1 1.4800 0.0000 . 2 . . . B 54 LYS HD3 . 11578 2 687 . 2 2 56 56 LYS HE2 H 1 2.7650 0.0000 . 2 . . . B 54 LYS HE2 . 11578 2 688 . 2 2 56 56 LYS HE3 H 1 2.6330 0.0000 . 2 . . . B 54 LYS HE3 . 11578 2 689 . 2 2 56 56 LYS C C 13 175.2560 0.0000 . 1 . . . B 54 LYS C . 11578 2 690 . 2 2 56 56 LYS CA C 13 54.3350 0.0000 . 1 . . . B 54 LYS CA . 11578 2 691 . 2 2 56 56 LYS CB C 13 36.9490 0.0000 . 1 . . . B 54 LYS CB . 11578 2 692 . 2 2 56 56 LYS CG C 13 25.3590 0.0000 . 1 . . . B 54 LYS CG . 11578 2 693 . 2 2 56 56 LYS CD C 13 29.4150 0.0000 . 1 . . . B 54 LYS CD . 11578 2 694 . 2 2 56 56 LYS CE C 13 42.1650 0.0000 . 1 . . . B 54 LYS CE . 11578 2 695 . 2 2 56 56 LYS N N 15 119.5940 0.0000 . 1 . . . B 54 LYS N . 11578 2 696 . 2 2 57 57 ILE H H 1 8.9180 0.0000 . 1 . . . B 55 ILE H . 11578 2 697 . 2 2 57 57 ILE HA H 1 5.3060 0.0000 . 1 . . . B 55 ILE HA . 11578 2 698 . 2 2 57 57 ILE HB H 1 2.1210 0.0000 . 1 . . . B 55 ILE HB . 11578 2 699 . 2 2 57 57 ILE HG12 H 1 1.5410 0.0000 . 2 . . . B 55 ILE HG12 . 11578 2 700 . 2 2 57 57 ILE HG13 H 1 1.3210 0.0000 . 2 . . . B 55 ILE HG13 . 11578 2 701 . 2 2 57 57 ILE HG21 H 1 1.0090 0.0000 . 1 . . . B 55 ILE HG21 . 11578 2 702 . 2 2 57 57 ILE HG22 H 1 1.0090 0.0000 . 1 . . . B 55 ILE HG22 . 11578 2 703 . 2 2 57 57 ILE HG23 H 1 1.0090 0.0000 . 1 . . . B 55 ILE HG23 . 11578 2 704 . 2 2 57 57 ILE HD11 H 1 0.8600 0.0000 . 1 . . . B 55 ILE HD11 . 11578 2 705 . 2 2 57 57 ILE HD12 H 1 0.8600 0.0000 . 1 . . . B 55 ILE HD12 . 11578 2 706 . 2 2 57 57 ILE HD13 H 1 0.8600 0.0000 . 1 . . . B 55 ILE HD13 . 11578 2 707 . 2 2 57 57 ILE C C 13 175.5160 0.0000 . 1 . . . B 55 ILE C . 11578 2 708 . 2 2 57 57 ILE CA C 13 59.5510 0.0000 . 1 . . . B 55 ILE CA . 11578 2 709 . 2 2 57 57 ILE CB C 13 41.5860 0.0000 . 1 . . . B 55 ILE CB . 11578 2 710 . 2 2 57 57 ILE CG1 C 13 25.9380 0.0000 . 1 . . . B 55 ILE CG1 . 11578 2 711 . 2 2 57 57 ILE CG2 C 13 18.3940 0.0000 . 1 . . . B 55 ILE CG2 . 11578 2 712 . 2 2 57 57 ILE CD1 C 13 13.7580 0.0000 . 1 . . . B 55 ILE CD1 . 11578 2 713 . 2 2 57 57 ILE N N 15 115.7420 0.0000 . 1 . . . B 55 ILE N . 11578 2 714 . 2 2 58 58 SER H H 1 7.6350 0.0000 . 1 . . . B 56 SER H . 11578 2 715 . 2 2 58 58 SER HA H 1 4.2410 0.0000 . 1 . . . B 56 SER HA . 11578 2 716 . 2 2 58 58 SER HB2 H 1 3.8840 0.0000 . 1 . . . B 56 SER HB2 . 11578 2 717 . 2 2 58 58 SER HB3 H 1 3.3270 0.0000 . 1 . . . B 56 SER HB3 . 11578 2 718 . 2 2 58 58 SER CA C 13 56.0740 0.0000 . 1 . . . B 56 SER CA . 11578 2 719 . 2 2 58 58 SER CB C 13 61.8790 0.0000 . 1 . . . B 56 SER CB . 11578 2 720 . 2 2 58 58 SER N N 15 119.8170 0.0000 . 1 . . . B 56 SER N . 11578 2 721 . 2 2 59 59 PRO HA H 1 4.4710 0.0000 . 1 . . . B 57 PRO HA . 11578 2 722 . 2 2 59 59 PRO HB2 H 1 1.8790 0.0000 . 2 . . . B 57 PRO HB2 . 11578 2 723 . 2 2 59 59 PRO HB3 H 1 2.2320 0.0000 . 2 . . . B 57 PRO HB3 . 11578 2 724 . 2 2 59 59 PRO HG2 H 1 1.8240 0.0000 . 2 . . . B 57 PRO HG2 . 11578 2 725 . 2 2 59 59 PRO HG3 H 1 1.7910 0.0000 . 2 . . . B 57 PRO HG3 . 11578 2 726 . 2 2 59 59 PRO HD2 H 1 3.5570 0.0000 . 2 . . . B 57 PRO HD2 . 11578 2 727 . 2 2 59 59 PRO HD3 H 1 3.1610 0.0000 . 2 . . . B 57 PRO HD3 . 11578 2 728 . 2 2 59 59 PRO C C 13 176.4810 0.0000 . 1 . . . B 57 PRO C . 11578 2 729 . 2 2 59 59 PRO CA C 13 62.4590 0.0000 . 1 . . . B 57 PRO CA . 11578 2 730 . 2 2 59 59 PRO CB C 13 32.3130 0.0000 . 1 . . . B 57 PRO CB . 11578 2 731 . 2 2 59 59 PRO CG C 13 27.0970 0.0000 . 1 . . . B 57 PRO CG . 11578 2 732 . 2 2 59 59 PRO CD C 13 50.8580 0.0000 . 1 . . . B 57 PRO CD . 11578 2 733 . 2 2 60 60 GLU H H 1 8.4230 0.0000 . 1 . . . B 58 GLU H . 11578 2 734 . 2 2 60 60 GLU HA H 1 4.0200 0.0000 . 1 . . . B 58 GLU HA . 11578 2 735 . 2 2 60 60 GLU HB2 H 1 1.8850 0.0000 . 2 . . . B 58 GLU HB2 . 11578 2 736 . 2 2 60 60 GLU HB3 H 1 1.8210 0.0000 . 2 . . . B 58 GLU HB3 . 11578 2 737 . 2 2 60 60 GLU HG2 H 1 2.2410 0.0000 . 2 . . . B 58 GLU HG2 . 11578 2 738 . 2 2 60 60 GLU HG3 H 1 2.1640 0.0000 . 2 . . . B 58 GLU HG3 . 11578 2 739 . 2 2 60 60 GLU CA C 13 57.8120 0.0000 . 1 . . . B 58 GLU CA . 11578 2 740 . 2 2 60 60 GLU CB C 13 29.4150 0.0000 . 1 . . . B 58 GLU CB . 11578 2 741 . 2 2 60 60 GLU CG C 13 35.7900 0.0000 . 1 . . . B 58 GLU CG . 11578 2 742 . 2 2 60 60 GLU N N 15 123.7420 0.0000 . 1 . . . B 58 GLU N . 11578 2 743 . 2 2 61 61 GLY H H 1 8.6630 0.0000 . 1 . . . B 59 GLY H . 11578 2 744 . 2 2 61 61 GLY HA2 H 1 4.1660 0.0000 . 2 . . . B 59 GLY HA2 . 11578 2 745 . 2 2 61 61 GLY HA3 H 1 3.7270 0.0000 . 2 . . . B 59 GLY HA3 . 11578 2 746 . 2 2 61 61 GLY C C 13 174.4550 0.0000 . 1 . . . B 59 GLY C . 11578 2 747 . 2 2 61 61 GLY CA C 13 45.0630 0.0000 . 1 . . . B 59 GLY CA . 11578 2 748 . 2 2 61 61 GLY N N 15 114.0200 0.0000 . 1 . . . B 59 GLY N . 11578 2 749 . 2 2 62 62 LYS H H 1 7.2800 0.0000 . 1 . . . B 60 LYS H . 11578 2 750 . 2 2 62 62 LYS HA H 1 4.4870 0.0000 . 1 . . . B 60 LYS HA . 11578 2 751 . 2 2 62 62 LYS HB2 H 1 1.8870 0.0000 . 1 . . . B 60 LYS HB2 . 11578 2 752 . 2 2 62 62 LYS HB3 H 1 1.7450 0.0000 . 1 . . . B 60 LYS HB3 . 11578 2 753 . 2 2 62 62 LYS HG2 H 1 1.3840 0.0000 . 2 . . . B 60 LYS HG2 . 11578 2 754 . 2 2 62 62 LYS HG3 H 1 1.3450 0.0000 . 2 . . . B 60 LYS HG3 . 11578 2 755 . 2 2 62 62 LYS HD2 H 1 1.6420 0.0000 . 2 . . . B 60 LYS HD2 . 11578 2 756 . 2 2 62 62 LYS HD3 H 1 1.5660 0.0000 . 2 . . . B 60 LYS HD3 . 11578 2 757 . 2 2 62 62 LYS HE2 H 1 2.8650 0.0000 . 2 . . . B 60 LYS HE2 . 11578 2 758 . 2 2 62 62 LYS HE3 H 1 2.8650 0.0000 . 2 . . . B 60 LYS HE3 . 11578 2 759 . 2 2 62 62 LYS C C 13 176.6220 0.0000 . 1 . . . B 60 LYS C . 11578 2 760 . 2 2 62 62 LYS CA C 13 54.3350 0.0000 . 1 . . . B 60 LYS CA . 11578 2 761 . 2 2 62 62 LYS CB C 13 31.7330 0.0000 . 1 . . . B 60 LYS CB . 11578 2 762 . 2 2 62 62 LYS CG C 13 24.7790 0.0000 . 1 . . . B 60 LYS CG . 11578 2 763 . 2 2 62 62 LYS CD C 13 28.2560 0.0000 . 1 . . . B 60 LYS CD . 11578 2 764 . 2 2 62 62 LYS CE C 13 42.1650 0.0000 . 1 . . . B 60 LYS CE . 11578 2 765 . 2 2 62 62 LYS N N 15 120.2200 0.0000 . 1 . . . B 60 LYS N . 11578 2 766 . 2 2 63 63 ALA H H 1 8.4390 0.0000 . 1 . . . B 61 ALA H . 11578 2 767 . 2 2 63 63 ALA HA H 1 4.0580 0.0000 . 1 . . . B 61 ALA HA . 11578 2 768 . 2 2 63 63 ALA HB1 H 1 1.4090 0.0000 . 1 . . . B 61 ALA HB1 . 11578 2 769 . 2 2 63 63 ALA HB2 H 1 1.4090 0.0000 . 1 . . . B 61 ALA HB2 . 11578 2 770 . 2 2 63 63 ALA HB3 H 1 1.4090 0.0000 . 1 . . . B 61 ALA HB3 . 11578 2 771 . 2 2 63 63 ALA C C 13 177.9090 0.0000 . 1 . . . B 61 ALA C . 11578 2 772 . 2 2 63 63 ALA CA C 13 54.3350 0.0000 . 1 . . . B 61 ALA CA . 11578 2 773 . 2 2 63 63 ALA CB C 13 18.9740 0.0000 . 1 . . . B 61 ALA CB . 11578 2 774 . 2 2 63 63 ALA N N 15 126.3430 0.0000 . 1 . . . B 61 ALA N . 11578 2 775 . 2 2 64 64 LYS H H 1 7.7320 0.0000 . 1 . . . B 62 LYS H . 11578 2 776 . 2 2 64 64 LYS HA H 1 4.2300 0.0000 . 1 . . . B 62 LYS HA . 11578 2 777 . 2 2 64 64 LYS HB2 H 1 1.5260 0.0000 . 2 . . . B 62 LYS HB2 . 11578 2 778 . 2 2 64 64 LYS HB3 H 1 1.1250 0.0000 . 2 . . . B 62 LYS HB3 . 11578 2 779 . 2 2 64 64 LYS HG2 H 1 0.9950 0.0000 . 2 . . . B 62 LYS HG2 . 11578 2 780 . 2 2 64 64 LYS HG3 H 1 0.8020 0.0000 . 2 . . . B 62 LYS HG3 . 11578 2 781 . 2 2 64 64 LYS HD2 H 1 1.2060 0.0000 . 2 . . . B 62 LYS HD2 . 11578 2 782 . 2 2 64 64 LYS HD3 H 1 1.1100 0.0000 . 2 . . . B 62 LYS HD3 . 11578 2 783 . 2 2 64 64 LYS HE2 H 1 2.5170 0.0000 . 2 . . . B 62 LYS HE2 . 11578 2 784 . 2 2 64 64 LYS HE3 H 1 2.5170 0.0000 . 2 . . . B 62 LYS HE3 . 11578 2 785 . 2 2 64 64 LYS C C 13 175.0460 0.0000 . 1 . . . B 62 LYS C . 11578 2 786 . 2 2 64 64 LYS CA C 13 56.0740 0.0000 . 1 . . . B 62 LYS CA . 11578 2 787 . 2 2 64 64 LYS CB C 13 32.8930 0.0000 . 1 . . . B 62 LYS CB . 11578 2 788 . 2 2 64 64 LYS CG C 13 24.7790 0.0000 . 1 . . . B 62 LYS CG . 11578 2 789 . 2 2 64 64 LYS CD C 13 29.4150 0.0000 . 1 . . . B 62 LYS CD . 11578 2 790 . 2 2 64 64 LYS CE C 13 41.0060 0.0000 . 1 . . . B 62 LYS CE . 11578 2 791 . 2 2 64 64 LYS N N 15 117.5480 0.0000 . 1 . . . B 62 LYS N . 11578 2 792 . 2 2 65 65 ILE H H 1 9.0370 0.0000 . 1 . . . B 63 ILE H . 11578 2 793 . 2 2 65 65 ILE HA H 1 3.9470 0.0000 . 1 . . . B 63 ILE HA . 11578 2 794 . 2 2 65 65 ILE HB H 1 2.5730 0.0000 . 1 . . . B 63 ILE HB . 11578 2 795 . 2 2 65 65 ILE HG12 H 1 1.7780 0.0000 . 2 . . . B 63 ILE HG12 . 11578 2 796 . 2 2 65 65 ILE HG13 H 1 1.4220 0.0000 . 2 . . . B 63 ILE HG13 . 11578 2 797 . 2 2 65 65 ILE HG21 H 1 0.7520 0.0000 . 1 . . . B 63 ILE HG21 . 11578 2 798 . 2 2 65 65 ILE HG22 H 1 0.7520 0.0000 . 1 . . . B 63 ILE HG22 . 11578 2 799 . 2 2 65 65 ILE HG23 H 1 0.7520 0.0000 . 1 . . . B 63 ILE HG23 . 11578 2 800 . 2 2 65 65 ILE HD11 H 1 0.7830 0.0000 . 1 . . . B 63 ILE HD11 . 11578 2 801 . 2 2 65 65 ILE HD12 H 1 0.7830 0.0000 . 1 . . . B 63 ILE HD12 . 11578 2 802 . 2 2 65 65 ILE HD13 H 1 0.7830 0.0000 . 1 . . . B 63 ILE HD13 . 11578 2 803 . 2 2 65 65 ILE C C 13 176.4070 0.0000 . 1 . . . B 63 ILE C . 11578 2 804 . 2 2 65 65 ILE CA C 13 60.1300 0.0000 . 1 . . . B 63 ILE CA . 11578 2 805 . 2 2 65 65 ILE CB C 13 34.6310 0.0000 . 1 . . . B 63 ILE CB . 11578 2 806 . 2 2 65 65 ILE CG1 C 13 25.9380 0.0000 . 1 . . . B 63 ILE CG1 . 11578 2 807 . 2 2 65 65 ILE CG2 C 13 17.8150 0.0000 . 1 . . . B 63 ILE CG2 . 11578 2 808 . 2 2 65 65 ILE CD1 C 13 10.2910 0.0000 . 1 . . . B 63 ILE CD1 . 11578 2 809 . 2 2 65 65 ILE N N 15 127.7540 0.0000 . 1 . . . B 63 ILE N . 11578 2 810 . 2 2 66 66 GLN H H 1 8.8320 0.0000 . 1 . . . B 64 GLN H . 11578 2 811 . 2 2 66 66 GLN HA H 1 6.3520 0.0000 . 1 . . . B 64 GLN HA . 11578 2 812 . 2 2 66 66 GLN HB2 H 1 2.5750 0.0000 . 1 . . . B 64 GLN HB2 . 11578 2 813 . 2 2 66 66 GLN HB3 H 1 2.0130 0.0000 . 1 . . . B 64 GLN HB3 . 11578 2 814 . 2 2 66 66 GLN HG2 H 1 2.1400 0.0000 . 2 . . . B 64 GLN HG2 . 11578 2 815 . 2 2 66 66 GLN HG3 H 1 1.9870 0.0000 . 2 . . . B 64 GLN HG3 . 11578 2 816 . 2 2 66 66 GLN HE21 H 1 7.1570 0.0000 . 2 . . . B 64 GLN HE21 . 11578 2 817 . 2 2 66 66 GLN HE22 H 1 7.4680 0.0000 . 2 . . . B 64 GLN HE22 . 11578 2 818 . 2 2 66 66 GLN C C 13 175.3640 0.0000 . 1 . . . B 64 GLN C . 11578 2 819 . 2 2 66 66 GLN CA C 13 54.9150 0.0000 . 1 . . . B 64 GLN CA . 11578 2 820 . 2 2 66 66 GLN CB C 13 37.5290 0.0000 . 1 . . . B 64 GLN CB . 11578 2 821 . 2 2 66 66 GLN CG C 13 35.7900 0.0000 . 1 . . . B 64 GLN CG . 11578 2 822 . 2 2 66 66 GLN N N 15 126.2710 0.0000 . 1 . . . B 64 GLN N . 11578 2 823 . 2 2 66 66 GLN NE2 N 15 112.8010 0.0000 . 1 . . . B 64 GLN NE2 . 11578 2 824 . 2 2 67 67 LEU H H 1 9.3360 0.0000 . 1 . . . B 65 LEU H . 11578 2 825 . 2 2 67 67 LEU HA H 1 5.3520 0.0000 . 1 . . . B 65 LEU HA . 11578 2 826 . 2 2 67 67 LEU HB2 H 1 2.1030 0.0000 . 1 . . . B 65 LEU HB2 . 11578 2 827 . 2 2 67 67 LEU HB3 H 1 1.7560 0.0000 . 1 . . . B 65 LEU HB3 . 11578 2 828 . 2 2 67 67 LEU HG H 1 1.9510 0.0000 . 1 . . . B 65 LEU HG . 11578 2 829 . 2 2 67 67 LEU HD11 H 1 1.1630 0.0000 . 1 . . . B 65 LEU HD11 . 11578 2 830 . 2 2 67 67 LEU HD12 H 1 1.1630 0.0000 . 1 . . . B 65 LEU HD12 . 11578 2 831 . 2 2 67 67 LEU HD13 H 1 1.1630 0.0000 . 1 . . . B 65 LEU HD13 . 11578 2 832 . 2 2 67 67 LEU HD21 H 1 1.0440 0.0000 . 1 . . . B 65 LEU HD21 . 11578 2 833 . 2 2 67 67 LEU HD22 H 1 1.0440 0.0000 . 1 . . . B 65 LEU HD22 . 11578 2 834 . 2 2 67 67 LEU HD23 H 1 1.0440 0.0000 . 1 . . . B 65 LEU HD23 . 11578 2 835 . 2 2 67 67 LEU C C 13 172.7470 0.0000 . 1 . . . B 65 LEU C . 11578 2 836 . 2 2 67 67 LEU CA C 13 55.4940 0.0000 . 1 . . . B 65 LEU CA . 11578 2 837 . 2 2 67 67 LEU CB C 13 50.2780 0.0000 . 1 . . . B 65 LEU CB . 11578 2 838 . 2 2 67 67 LEU CG C 13 27.6770 0.0000 . 1 . . . B 65 LEU CG . 11578 2 839 . 2 2 67 67 LEU CD1 C 13 25.9380 0.0000 . 1 . . . B 65 LEU CD1 . 11578 2 840 . 2 2 67 67 LEU CD2 C 13 25.9380 0.0000 . 1 . . . B 65 LEU CD2 . 11578 2 841 . 2 2 67 67 LEU N N 15 126.3010 0.0000 . 1 . . . B 65 LEU N . 11578 2 842 . 2 2 68 68 GLN H H 1 9.6920 0.0000 . 1 . . . B 66 GLN H . 11578 2 843 . 2 2 68 68 GLN HA H 1 5.2430 0.0000 . 1 . . . B 66 GLN HA . 11578 2 844 . 2 2 68 68 GLN HB2 H 1 0.6130 0.0000 . 1 . . . B 66 GLN HB2 . 11578 2 845 . 2 2 68 68 GLN HB3 H 1 0.9460 0.0000 . 1 . . . B 66 GLN HB3 . 11578 2 846 . 2 2 68 68 GLN HG2 H 1 1.9090 0.0000 . 2 . . . B 66 GLN HG2 . 11578 2 847 . 2 2 68 68 GLN HG3 H 1 1.1880 0.0000 . 2 . . . B 66 GLN HG3 . 11578 2 848 . 2 2 68 68 GLN HE21 H 1 5.4060 0.0000 . 2 . . . B 66 GLN HE21 . 11578 2 849 . 2 2 68 68 GLN HE22 H 1 7.0550 0.0000 . 2 . . . B 66 GLN HE22 . 11578 2 850 . 2 2 68 68 GLN C C 13 174.6610 0.0000 . 1 . . . B 66 GLN C . 11578 2 851 . 2 2 68 68 GLN CA C 13 53.7560 0.0000 . 1 . . . B 66 GLN CA . 11578 2 852 . 2 2 68 68 GLN CB C 13 34.0520 0.0000 . 1 . . . B 66 GLN CB . 11578 2 853 . 2 2 68 68 GLN CG C 13 35.2110 0.0000 . 1 . . . B 66 GLN CG . 11578 2 854 . 2 2 68 68 GLN N N 15 128.6230 0.0000 . 1 . . . B 66 GLN N . 11578 2 855 . 2 2 68 68 GLN NE2 N 15 107.9230 0.0000 . 1 . . . B 66 GLN NE2 . 11578 2 856 . 2 2 69 69 LEU H H 1 8.9880 0.0000 . 1 . . . B 67 LEU H . 11578 2 857 . 2 2 69 69 LEU HA H 1 4.8680 0.0000 . 1 . . . B 67 LEU HA . 11578 2 858 . 2 2 69 69 LEU HB2 H 1 1.1020 0.0000 . 1 . . . B 67 LEU HB2 . 11578 2 859 . 2 2 69 69 LEU HB3 H 1 1.7210 0.0000 . 1 . . . B 67 LEU HB3 . 11578 2 860 . 2 2 69 69 LEU HG H 1 1.8510 0.0000 . 1 . . . B 67 LEU HG . 11578 2 861 . 2 2 69 69 LEU HD11 H 1 1.1470 0.0000 . 1 . . . B 67 LEU HD11 . 11578 2 862 . 2 2 69 69 LEU HD12 H 1 1.1470 0.0000 . 1 . . . B 67 LEU HD12 . 11578 2 863 . 2 2 69 69 LEU HD13 H 1 1.1470 0.0000 . 1 . . . B 67 LEU HD13 . 11578 2 864 . 2 2 69 69 LEU HD21 H 1 0.9970 0.0000 . 1 . . . B 67 LEU HD21 . 11578 2 865 . 2 2 69 69 LEU HD22 H 1 0.9970 0.0000 . 1 . . . B 67 LEU HD22 . 11578 2 866 . 2 2 69 69 LEU HD23 H 1 0.9970 0.0000 . 1 . . . B 67 LEU HD23 . 11578 2 867 . 2 2 69 69 LEU C C 13 174.9150 0.0000 . 1 . . . B 67 LEU C . 11578 2 868 . 2 2 69 69 LEU CA C 13 52.5970 0.0000 . 1 . . . B 67 LEU CA . 11578 2 869 . 2 2 69 69 LEU CB C 13 43.3240 0.0000 . 1 . . . B 67 LEU CB . 11578 2 870 . 2 2 69 69 LEU CG C 13 26.5180 0.0000 . 1 . . . B 67 LEU CG . 11578 2 871 . 2 2 69 69 LEU CD1 C 13 27.6770 0.0000 . 1 . . . B 67 LEU CD1 . 11578 2 872 . 2 2 69 69 LEU CD2 C 13 23.6100 0.0000 . 1 . . . B 67 LEU CD2 . 11578 2 873 . 2 2 69 69 LEU N N 15 124.6110 0.0000 . 1 . . . B 67 LEU N . 11578 2 874 . 2 2 70 70 VAL H H 1 8.3300 0.0000 . 1 . . . B 68 VAL H . 11578 2 875 . 2 2 70 70 VAL HA H 1 4.2350 0.0000 . 1 . . . B 68 VAL HA . 11578 2 876 . 2 2 70 70 VAL HB H 1 2.1440 0.0000 . 1 . . . B 68 VAL HB . 11578 2 877 . 2 2 70 70 VAL HG11 H 1 0.7510 0.0000 . 1 . . . B 68 VAL HG11 . 11578 2 878 . 2 2 70 70 VAL HG12 H 1 0.7510 0.0000 . 1 . . . B 68 VAL HG12 . 11578 2 879 . 2 2 70 70 VAL HG13 H 1 0.7510 0.0000 . 1 . . . B 68 VAL HG13 . 11578 2 880 . 2 2 70 70 VAL HG21 H 1 0.6070 0.0000 . 1 . . . B 68 VAL HG21 . 11578 2 881 . 2 2 70 70 VAL HG22 H 1 0.6070 0.0000 . 1 . . . B 68 VAL HG22 . 11578 2 882 . 2 2 70 70 VAL HG23 H 1 0.6070 0.0000 . 1 . . . B 68 VAL HG23 . 11578 2 883 . 2 2 70 70 VAL C C 13 175.6660 0.0000 . 1 . . . B 68 VAL C . 11578 2 884 . 2 2 70 70 VAL CA C 13 60.7100 0.0000 . 1 . . . B 68 VAL CA . 11578 2 885 . 2 2 70 70 VAL CB C 13 32.3130 0.0000 . 1 . . . B 68 VAL CB . 11578 2 886 . 2 2 70 70 VAL CG1 C 13 20.7120 0.0000 . 1 . . . B 68 VAL CG1 . 11578 2 887 . 2 2 70 70 VAL CG2 C 13 21.2920 0.0000 . 1 . . . B 68 VAL CG2 . 11578 2 888 . 2 2 70 70 VAL N N 15 123.2370 0.0000 . 1 . . . B 68 VAL N . 11578 2 889 . 2 2 71 71 LEU H H 1 8.7320 0.0000 . 1 . . . B 69 LEU H . 11578 2 890 . 2 2 71 71 LEU HA H 1 4.6560 0.0000 . 1 . . . B 69 LEU HA . 11578 2 891 . 2 2 71 71 LEU HB2 H 1 1.8850 0.0000 . 1 . . . B 69 LEU HB2 . 11578 2 892 . 2 2 71 71 LEU HB3 H 1 1.7870 0.0000 . 1 . . . B 69 LEU HB3 . 11578 2 893 . 2 2 71 71 LEU HG H 1 1.4300 0.0000 . 1 . . . B 69 LEU HG . 11578 2 894 . 2 2 71 71 LEU HD11 H 1 0.4700 0.0000 . 1 . . . B 69 LEU HD11 . 11578 2 895 . 2 2 71 71 LEU HD12 H 1 0.4700 0.0000 . 1 . . . B 69 LEU HD12 . 11578 2 896 . 2 2 71 71 LEU HD13 H 1 0.4700 0.0000 . 1 . . . B 69 LEU HD13 . 11578 2 897 . 2 2 71 71 LEU HD21 H 1 0.1690 0.0000 . 1 . . . B 69 LEU HD21 . 11578 2 898 . 2 2 71 71 LEU HD22 H 1 0.1690 0.0000 . 1 . . . B 69 LEU HD22 . 11578 2 899 . 2 2 71 71 LEU HD23 H 1 0.1690 0.0000 . 1 . . . B 69 LEU HD23 . 11578 2 900 . 2 2 71 71 LEU C C 13 179.1040 0.0000 . 1 . . . B 69 LEU C . 11578 2 901 . 2 2 71 71 LEU CA C 13 54.3350 0.0000 . 1 . . . B 69 LEU CA . 11578 2 902 . 2 2 71 71 LEU CB C 13 39.8470 0.0000 . 1 . . . B 69 LEU CB . 11578 2 903 . 2 2 71 71 LEU CG C 13 27.6770 0.0000 . 1 . . . B 69 LEU CG . 11578 2 904 . 2 2 71 71 LEU CD1 C 13 24.2000 0.0000 . 1 . . . B 69 LEU CD1 . 11578 2 905 . 2 2 71 71 LEU CD2 C 13 22.4510 0.0000 . 1 . . . B 69 LEU CD2 . 11578 2 906 . 2 2 71 71 LEU N N 15 128.8030 0.0000 . 1 . . . B 69 LEU N . 11578 2 907 . 2 2 72 72 HIS H H 1 8.1680 0.0000 . 1 . . . B 70 HIS H . 11578 2 908 . 2 2 72 72 HIS HA H 1 4.2350 0.0000 . 1 . . . B 70 HIS HA . 11578 2 909 . 2 2 72 72 HIS HB2 H 1 3.0790 0.0000 . 2 . . . B 70 HIS HB2 . 11578 2 910 . 2 2 72 72 HIS HB3 H 1 2.9980 0.0000 . 2 . . . B 70 HIS HB3 . 11578 2 911 . 2 2 72 72 HIS HD2 H 1 6.9950 0.0000 . 1 . . . B 70 HIS HD2 . 11578 2 912 . 2 2 72 72 HIS HE1 H 1 7.8960 0.0000 . 1 . . . B 70 HIS HE1 . 11578 2 913 . 2 2 72 72 HIS C C 13 177.5820 0.0000 . 1 . . . B 70 HIS C . 11578 2 914 . 2 2 72 72 HIS CA C 13 60.7100 0.0000 . 1 . . . B 70 HIS CA . 11578 2 915 . 2 2 72 72 HIS CB C 13 30.5740 0.0000 . 1 . . . B 70 HIS CB . 11578 2 916 . 2 2 72 72 HIS CD2 C 13 118.0840 0.0000 . 1 . . . B 70 HIS CD2 . 11578 2 917 . 2 2 72 72 HIS N N 15 122.7260 0.0000 . 1 . . . B 70 HIS N . 11578 2 918 . 2 2 73 73 ALA H H 1 8.4900 0.0000 . 1 . . . B 71 ALA H . 11578 2 919 . 2 2 73 73 ALA HA H 1 4.3110 0.0000 . 1 . . . B 71 ALA HA . 11578 2 920 . 2 2 73 73 ALA HB1 H 1 1.5030 0.0000 . 1 . . . B 71 ALA HB1 . 11578 2 921 . 2 2 73 73 ALA HB2 H 1 1.5030 0.0000 . 1 . . . B 71 ALA HB2 . 11578 2 922 . 2 2 73 73 ALA HB3 H 1 1.5030 0.0000 . 1 . . . B 71 ALA HB3 . 11578 2 923 . 2 2 73 73 ALA C C 13 178.1420 0.0000 . 1 . . . B 71 ALA C . 11578 2 924 . 2 2 73 73 ALA CA C 13 53.1760 0.0000 . 1 . . . B 71 ALA CA . 11578 2 925 . 2 2 73 73 ALA CB C 13 18.9740 0.0000 . 1 . . . B 71 ALA CB . 11578 2 926 . 2 2 73 73 ALA N N 15 118.6940 0.0000 . 1 . . . B 71 ALA N . 11578 2 927 . 2 2 74 74 GLY H H 1 7.6730 0.0000 . 1 . . . B 72 GLY H . 11578 2 928 . 2 2 74 74 GLY HA2 H 1 4.4600 0.0000 . 2 . . . B 72 GLY HA2 . 11578 2 929 . 2 2 74 74 GLY HA3 H 1 3.5550 0.0000 . 2 . . . B 72 GLY HA3 . 11578 2 930 . 2 2 74 74 GLY C C 13 173.7640 0.0000 . 1 . . . B 72 GLY C . 11578 2 931 . 2 2 74 74 GLY CA C 13 44.4830 0.0000 . 1 . . . B 72 GLY CA . 11578 2 932 . 2 2 74 74 GLY N N 15 105.9580 0.0000 . 1 . . . B 72 GLY N . 11578 2 933 . 2 2 75 75 ASP H H 1 7.7730 0.0000 . 1 . . . B 73 ASP H . 11578 2 934 . 2 2 75 75 ASP HA H 1 4.6170 0.0000 . 1 . . . B 73 ASP HA . 11578 2 935 . 2 2 75 75 ASP HB2 H 1 2.6740 0.0000 . 2 . . . B 73 ASP HB2 . 11578 2 936 . 2 2 75 75 ASP HB3 H 1 2.4630 0.0000 . 2 . . . B 73 ASP HB3 . 11578 2 937 . 2 2 75 75 ASP C C 13 173.8510 0.0000 . 1 . . . B 73 ASP C . 11578 2 938 . 2 2 75 75 ASP CA C 13 53.7560 0.0000 . 1 . . . B 73 ASP CA . 11578 2 939 . 2 2 75 75 ASP CB C 13 41.5850 0.0000 . 1 . . . B 73 ASP CB . 11578 2 940 . 2 2 75 75 ASP N N 15 119.2880 0.0000 . 1 . . . B 73 ASP N . 11578 2 941 . 2 2 76 76 THR H H 1 8.0350 0.0000 . 1 . . . B 74 THR H . 11578 2 942 . 2 2 76 76 THR HA H 1 5.2420 0.0000 . 1 . . . B 74 THR HA . 11578 2 943 . 2 2 76 76 THR HB H 1 3.7550 0.0000 . 1 . . . B 74 THR HB . 11578 2 944 . 2 2 76 76 THR HG21 H 1 0.9600 0.0000 . 1 . . . B 74 THR HG21 . 11578 2 945 . 2 2 76 76 THR HG22 H 1 0.9600 0.0000 . 1 . . . B 74 THR HG22 . 11578 2 946 . 2 2 76 76 THR HG23 H 1 0.9600 0.0000 . 1 . . . B 74 THR HG23 . 11578 2 947 . 2 2 76 76 THR C C 13 174.3880 0.0000 . 1 . . . B 74 THR C . 11578 2 948 . 2 2 76 76 THR CA C 13 59.5510 0.0000 . 1 . . . B 74 THR CA . 11578 2 949 . 2 2 76 76 THR CB C 13 72.3110 0.0000 . 1 . . . B 74 THR CB . 11578 2 950 . 2 2 76 76 THR CG2 C 13 21.8710 0.0000 . 1 . . . B 74 THR CG2 . 11578 2 951 . 2 2 76 76 THR N N 15 109.8120 0.0000 . 1 . . . B 74 THR N . 11578 2 952 . 2 2 77 77 THR H H 1 8.3620 0.0000 . 1 . . . B 75 THR H . 11578 2 953 . 2 2 77 77 THR HA H 1 4.1840 0.0000 . 1 . . . B 75 THR HA . 11578 2 954 . 2 2 77 77 THR HB H 1 3.4980 0.0000 . 1 . . . B 75 THR HB . 11578 2 955 . 2 2 77 77 THR HG21 H 1 0.4820 0.0000 . 1 . . . B 75 THR HG21 . 11578 2 956 . 2 2 77 77 THR HG22 H 1 0.4820 0.0000 . 1 . . . B 75 THR HG22 . 11578 2 957 . 2 2 77 77 THR HG23 H 1 0.4820 0.0000 . 1 . . . B 75 THR HG23 . 11578 2 958 . 2 2 77 77 THR C C 13 171.8220 0.0000 . 1 . . . B 75 THR C . 11578 2 959 . 2 2 77 77 THR CA C 13 61.3000 0.0000 . 1 . . . B 75 THR CA . 11578 2 960 . 2 2 77 77 THR CB C 13 71.1520 0.0000 . 1 . . . B 75 THR CB . 11578 2 961 . 2 2 77 77 THR CG2 C 13 24.2000 0.0000 . 1 . . . B 75 THR CG2 . 11578 2 962 . 2 2 77 77 THR N N 15 119.3930 0.0000 . 1 . . . B 75 THR N . 11578 2 963 . 2 2 78 78 ASN H H 1 8.6120 0.0000 . 1 . . . B 76 ASN H . 11578 2 964 . 2 2 78 78 ASN HA H 1 5.1830 0.0000 . 1 . . . B 76 ASN HA . 11578 2 965 . 2 2 78 78 ASN HB2 H 1 2.5610 0.0000 . 1 . . . B 76 ASN HB2 . 11578 2 966 . 2 2 78 78 ASN HB3 H 1 2.6610 0.0000 . 1 . . . B 76 ASN HB3 . 11578 2 967 . 2 2 78 78 ASN HD21 H 1 6.7020 0.0000 . 2 . . . B 76 ASN HD21 . 11578 2 968 . 2 2 78 78 ASN HD22 H 1 7.2570 0.0000 . 2 . . . B 76 ASN HD22 . 11578 2 969 . 2 2 78 78 ASN C C 13 174.0530 0.0000 . 1 . . . B 76 ASN C . 11578 2 970 . 2 2 78 78 ASN CA C 13 51.4370 0.0000 . 1 . . . B 76 ASN CA . 11578 2 971 . 2 2 78 78 ASN CB C 13 39.8470 0.0000 . 1 . . . B 76 ASN CB . 11578 2 972 . 2 2 78 78 ASN N N 15 126.1860 0.0000 . 1 . . . B 76 ASN N . 11578 2 973 . 2 2 78 78 ASN ND2 N 15 110.9720 0.0000 . 1 . . . B 76 ASN ND2 . 11578 2 974 . 2 2 79 79 PHE H H 1 9.2990 0.0000 . 1 . . . B 77 PHE H . 11578 2 975 . 2 2 79 79 PHE HA H 1 5.0810 0.0000 . 1 . . . B 77 PHE HA . 11578 2 976 . 2 2 79 79 PHE HB2 H 1 2.6180 0.0000 . 1 . . . B 77 PHE HB2 . 11578 2 977 . 2 2 79 79 PHE HB3 H 1 2.8550 0.0000 . 1 . . . B 77 PHE HB3 . 11578 2 978 . 2 2 79 79 PHE HD1 H 1 6.8020 0.0000 . 3 . . . B 77 PHE HD1 . 11578 2 979 . 2 2 79 79 PHE HD2 H 1 6.8020 0.0000 . 3 . . . B 77 PHE HD2 . 11578 2 980 . 2 2 79 79 PHE HE1 H 1 6.6960 0.0000 . 3 . . . B 77 PHE HE1 . 11578 2 981 . 2 2 79 79 PHE HE2 H 1 6.6960 0.0000 . 3 . . . B 77 PHE HE2 . 11578 2 982 . 2 2 79 79 PHE HZ H 1 6.7720 0.0000 . 1 . . . B 77 PHE HZ . 11578 2 983 . 2 2 79 79 PHE C C 13 174.0720 0.0000 . 1 . . . B 77 PHE C . 11578 2 984 . 2 2 79 79 PHE CA C 13 56.6530 0.0000 . 1 . . . B 77 PHE CA . 11578 2 985 . 2 2 79 79 PHE CB C 13 41.5850 0.0000 . 1 . . . B 77 PHE CB . 11578 2 986 . 2 2 79 79 PHE CD1 C 13 131.4130 0.0000 . 3 . . . B 77 PHE CD1 . 11578 2 987 . 2 2 79 79 PHE CD2 C 13 131.4130 0.0000 . 3 . . . B 77 PHE CD2 . 11578 2 988 . 2 2 79 79 PHE CE1 C 13 130.8330 0.0000 . 3 . . . B 77 PHE CE1 . 11578 2 989 . 2 2 79 79 PHE CE2 C 13 130.8330 0.0000 . 3 . . . B 77 PHE CE2 . 11578 2 990 . 2 2 79 79 PHE CZ C 13 128.5150 0.0000 . 1 . . . B 77 PHE CZ . 11578 2 991 . 2 2 79 79 PHE N N 15 121.7800 0.0000 . 1 . . . B 77 PHE N . 11578 2 992 . 2 2 80 80 HIS H H 1 9.0950 0.0000 . 1 . . . B 78 HIS H . 11578 2 993 . 2 2 80 80 HIS HA H 1 5.5370 0.0000 . 1 . . . B 78 HIS HA . 11578 2 994 . 2 2 80 80 HIS HB2 H 1 3.1830 0.0000 . 1 . . . B 78 HIS HB2 . 11578 2 995 . 2 2 80 80 HIS HB3 H 1 3.1200 0.0000 . 1 . . . B 78 HIS HB3 . 11578 2 996 . 2 2 80 80 HIS HD2 H 1 7.1830 0.0000 . 1 . . . B 78 HIS HD2 . 11578 2 997 . 2 2 80 80 HIS HE1 H 1 6.3930 0.0000 . 1 . . . B 78 HIS HE1 . 11578 2 998 . 2 2 80 80 HIS C C 13 174.3270 0.0000 . 1 . . . B 78 HIS C . 11578 2 999 . 2 2 80 80 HIS CA C 13 52.5970 0.0000 . 1 . . . B 78 HIS CA . 11578 2 1000 . 2 2 80 80 HIS CB C 13 33.4720 0.0000 . 1 . . . B 78 HIS CB . 11578 2 1001 . 2 2 80 80 HIS CD2 C 13 116.3450 0.0000 . 1 . . . B 78 HIS CD2 . 11578 2 1002 . 2 2 80 80 HIS CE1 C 13 129.6740 0.0000 . 1 . . . B 78 HIS CE1 . 11578 2 1003 . 2 2 80 80 HIS N N 15 123.7940 0.0000 . 1 . . . B 78 HIS N . 11578 2 1004 . 2 2 81 81 PHE H H 1 9.1970 0.0000 . 1 . . . B 79 PHE H . 11578 2 1005 . 2 2 81 81 PHE HA H 1 4.3460 0.0000 . 1 . . . B 79 PHE HA . 11578 2 1006 . 2 2 81 81 PHE HB2 H 1 3.3010 0.0000 . 1 . . . B 79 PHE HB2 . 11578 2 1007 . 2 2 81 81 PHE HB3 H 1 3.0570 0.0000 . 1 . . . B 79 PHE HB3 . 11578 2 1008 . 2 2 81 81 PHE HD1 H 1 7.5180 0.0000 . 3 . . . B 79 PHE HD1 . 11578 2 1009 . 2 2 81 81 PHE HD2 H 1 7.5180 0.0000 . 3 . . . B 79 PHE HD2 . 11578 2 1010 . 2 2 81 81 PHE HE1 H 1 7.2220 0.0000 . 3 . . . B 79 PHE HE1 . 11578 2 1011 . 2 2 81 81 PHE HE2 H 1 7.2220 0.0000 . 3 . . . B 79 PHE HE2 . 11578 2 1012 . 2 2 81 81 PHE HZ H 1 6.9160 0.0000 . 1 . . . B 79 PHE HZ . 11578 2 1013 . 2 2 81 81 PHE C C 13 172.9740 0.0000 . 1 . . . B 79 PHE C . 11578 2 1014 . 2 2 81 81 PHE CA C 13 58.9710 0.0000 . 1 . . . B 79 PHE CA . 11578 2 1015 . 2 2 81 81 PHE CB C 13 37.5290 0.0000 . 1 . . . B 79 PHE CB . 11578 2 1016 . 2 2 81 81 PHE CD1 C 13 133.1510 0.0000 . 3 . . . B 79 PHE CD1 . 11578 2 1017 . 2 2 81 81 PHE CD2 C 13 133.1510 0.0000 . 3 . . . B 79 PHE CD2 . 11578 2 1018 . 2 2 81 81 PHE CE1 C 13 130.2540 0.0000 . 3 . . . B 79 PHE CE1 . 11578 2 1019 . 2 2 81 81 PHE CE2 C 13 130.2540 0.0000 . 3 . . . B 79 PHE CE2 . 11578 2 1020 . 2 2 81 81 PHE CZ C 13 127.3560 0.0000 . 1 . . . B 79 PHE CZ . 11578 2 1021 . 2 2 81 81 PHE N N 15 132.1420 0.0000 . 1 . . . B 79 PHE N . 11578 2 1022 . 2 2 82 82 SER H H 1 7.8980 0.0000 . 1 . . . B 80 SER H . 11578 2 1023 . 2 2 82 82 SER HA H 1 4.0610 0.0000 . 1 . . . B 80 SER HA . 11578 2 1024 . 2 2 82 82 SER HB2 H 1 2.7950 0.0000 . 1 . . . B 80 SER HB2 . 11578 2 1025 . 2 2 82 82 SER HB3 H 1 3.8840 0.0000 . 1 . . . B 80 SER HB3 . 11578 2 1026 . 2 2 82 82 SER C C 13 174.6800 0.0000 . 1 . . . B 80 SER C . 11578 2 1027 . 2 2 82 82 SER CA C 13 58.9710 0.0000 . 1 . . . B 80 SER CA . 11578 2 1028 . 2 2 82 82 SER CB C 13 65.3560 0.0000 . 1 . . . B 80 SER CB . 11578 2 1029 . 2 2 82 82 SER N N 15 121.0350 0.0000 . 1 . . . B 80 SER N . 11578 2 1030 . 2 2 83 83 ASN H H 1 9.1880 0.0000 . 1 . . . B 81 ASN H . 11578 2 1031 . 2 2 83 83 ASN HA H 1 4.7710 0.0000 . 1 . . . B 81 ASN HA . 11578 2 1032 . 2 2 83 83 ASN HB2 H 1 3.2620 0.0000 . 1 . . . B 81 ASN HB2 . 11578 2 1033 . 2 2 83 83 ASN HB3 H 1 2.6400 0.0000 . 1 . . . B 81 ASN HB3 . 11578 2 1034 . 2 2 83 83 ASN HD21 H 1 6.8590 0.0000 . 2 . . . B 81 ASN HD21 . 11578 2 1035 . 2 2 83 83 ASN HD22 H 1 8.3930 0.0000 . 2 . . . B 81 ASN HD22 . 11578 2 1036 . 2 2 83 83 ASN C C 13 175.2260 0.0000 . 1 . . . B 81 ASN C . 11578 2 1037 . 2 2 83 83 ASN CA C 13 53.7560 0.0000 . 1 . . . B 81 ASN CA . 11578 2 1038 . 2 2 83 83 ASN CB C 13 38.6880 0.0000 . 1 . . . B 81 ASN CB . 11578 2 1039 . 2 2 83 83 ASN N N 15 125.4210 0.0000 . 1 . . . B 81 ASN N . 11578 2 1040 . 2 2 83 83 ASN ND2 N 15 116.9880 0.0000 . 1 . . . B 81 ASN ND2 . 11578 2 1041 . 2 2 84 84 GLU H H 1 8.7470 0.0000 . 1 . . . B 82 GLU H . 11578 2 1042 . 2 2 84 84 GLU HA H 1 4.0280 0.0000 . 1 . . . B 82 GLU HA . 11578 2 1043 . 2 2 84 84 GLU HB2 H 1 2.1680 0.0000 . 2 . . . B 82 GLU HB2 . 11578 2 1044 . 2 2 84 84 GLU HG2 H 1 2.4820 0.0000 . 2 . . . B 82 GLU HG2 . 11578 2 1045 . 2 2 84 84 GLU HG3 H 1 2.4130 0.0000 . 2 . . . B 82 GLU HG3 . 11578 2 1046 . 2 2 84 84 GLU C C 13 178.2200 0.0000 . 1 . . . B 82 GLU C . 11578 2 1047 . 2 2 84 84 GLU CA C 13 60.1300 0.0000 . 1 . . . B 82 GLU CA . 11578 2 1048 . 2 2 84 84 GLU CB C 13 29.9950 0.0000 . 1 . . . B 82 GLU CB . 11578 2 1049 . 2 2 84 84 GLU CG C 13 36.3700 0.0000 . 1 . . . B 82 GLU CG . 11578 2 1050 . 2 2 84 84 GLU N N 15 127.4080 0.0000 . 1 . . . B 82 GLU N . 11578 2 1051 . 2 2 85 85 SER H H 1 8.6510 0.0000 . 1 . . . B 83 SER H . 11578 2 1052 . 2 2 85 85 SER HA H 1 4.4230 0.0000 . 1 . . . B 83 SER HA . 11578 2 1053 . 2 2 85 85 SER HB2 H 1 4.0030 0.0000 . 2 . . . B 83 SER HB2 . 11578 2 1054 . 2 2 85 85 SER C C 13 176.2390 0.0000 . 1 . . . B 83 SER C . 11578 2 1055 . 2 2 85 85 SER CA C 13 60.7100 0.0000 . 1 . . . B 83 SER CA . 11578 2 1056 . 2 2 85 85 SER CB C 13 63.0380 0.0000 . 1 . . . B 83 SER CB . 11578 2 1057 . 2 2 85 85 SER N N 15 112.9310 0.0000 . 1 . . . B 83 SER N . 11578 2 1058 . 2 2 86 86 THR H H 1 7.3580 0.0000 . 1 . . . B 84 THR H . 11578 2 1059 . 2 2 86 86 THR HA H 1 4.6700 0.0000 . 1 . . . B 84 THR HA . 11578 2 1060 . 2 2 86 86 THR HB H 1 4.5910 0.0000 . 1 . . . B 84 THR HB . 11578 2 1061 . 2 2 86 86 THR HG21 H 1 1.1130 0.0000 . 1 . . . B 84 THR HG21 . 11578 2 1062 . 2 2 86 86 THR HG22 H 1 1.1130 0.0000 . 1 . . . B 84 THR HG22 . 11578 2 1063 . 2 2 86 86 THR HG23 H 1 1.1130 0.0000 . 1 . . . B 84 THR HG23 . 11578 2 1064 . 2 2 86 86 THR C C 13 174.9670 0.0000 . 1 . . . B 84 THR C . 11578 2 1065 . 2 2 86 86 THR CA C 13 61.3000 0.0000 . 1 . . . B 84 THR CA . 11578 2 1066 . 2 2 86 86 THR CB C 13 69.4130 0.0000 . 1 . . . B 84 THR CB . 11578 2 1067 . 2 2 86 86 THR CG2 C 13 21.8710 0.0000 . 1 . . . B 84 THR CG2 . 11578 2 1068 . 2 2 86 86 THR N N 15 109.5420 0.0000 . 1 . . . B 84 THR N . 11578 2 1069 . 2 2 87 87 ALA H H 1 7.6550 0.0000 . 1 . . . B 85 ALA H . 11578 2 1070 . 2 2 87 87 ALA HA H 1 4.2300 0.0000 . 1 . . . B 85 ALA HA . 11578 2 1071 . 2 2 87 87 ALA HB1 H 1 1.5290 0.0000 . 1 . . . B 85 ALA HB1 . 11578 2 1072 . 2 2 87 87 ALA HB2 H 1 1.5290 0.0000 . 1 . . . B 85 ALA HB2 . 11578 2 1073 . 2 2 87 87 ALA HB3 H 1 1.5290 0.0000 . 1 . . . B 85 ALA HB3 . 11578 2 1074 . 2 2 87 87 ALA C C 13 178.8230 0.0000 . 1 . . . B 85 ALA C . 11578 2 1075 . 2 2 87 87 ALA CA C 13 56.0740 0.0000 . 1 . . . B 85 ALA CA . 11578 2 1076 . 2 2 87 87 ALA CB C 13 20.1330 0.0000 . 1 . . . B 85 ALA CB . 11578 2 1077 . 2 2 87 87 ALA N N 15 126.2030 0.0000 . 1 . . . B 85 ALA N . 11578 2 1078 . 2 2 88 88 VAL H H 1 8.2850 0.0000 . 1 . . . B 86 VAL H . 11578 2 1079 . 2 2 88 88 VAL HA H 1 3.4150 0.0000 . 1 . . . B 86 VAL HA . 11578 2 1080 . 2 2 88 88 VAL HB H 1 1.9700 0.0000 . 1 . . . B 86 VAL HB . 11578 2 1081 . 2 2 88 88 VAL HG11 H 1 0.9140 0.0000 . 1 . . . B 86 VAL HG11 . 11578 2 1082 . 2 2 88 88 VAL HG12 H 1 0.9140 0.0000 . 1 . . . B 86 VAL HG12 . 11578 2 1083 . 2 2 88 88 VAL HG13 H 1 0.9140 0.0000 . 1 . . . B 86 VAL HG13 . 11578 2 1084 . 2 2 88 88 VAL HG21 H 1 1.0710 0.0000 . 1 . . . B 86 VAL HG21 . 11578 2 1085 . 2 2 88 88 VAL HG22 H 1 1.0710 0.0000 . 1 . . . B 86 VAL HG22 . 11578 2 1086 . 2 2 88 88 VAL HG23 H 1 1.0710 0.0000 . 1 . . . B 86 VAL HG23 . 11578 2 1087 . 2 2 88 88 VAL C C 13 177.5600 0.0000 . 1 . . . B 86 VAL C . 11578 2 1088 . 2 2 88 88 VAL CA C 13 67.0950 0.0000 . 1 . . . B 86 VAL CA . 11578 2 1089 . 2 2 88 88 VAL CB C 13 31.1540 0.0000 . 1 . . . B 86 VAL CB . 11578 2 1090 . 2 2 88 88 VAL CG1 C 13 21.2920 0.0000 . 1 . . . B 86 VAL CG1 . 11578 2 1091 . 2 2 88 88 VAL CG2 C 13 23.6100 0.0000 . 1 . . . B 86 VAL CG2 . 11578 2 1092 . 2 2 88 88 VAL N N 15 116.2740 0.0000 . 1 . . . B 86 VAL N . 11578 2 1093 . 2 2 89 89 LYS H H 1 7.5660 0.0000 . 1 . . . B 87 LYS H . 11578 2 1094 . 2 2 89 89 LYS HA H 1 4.1000 0.0000 . 1 . . . B 87 LYS HA . 11578 2 1095 . 2 2 89 89 LYS HB2 H 1 1.9310 0.0000 . 2 . . . B 87 LYS HB2 . 11578 2 1096 . 2 2 89 89 LYS HB3 H 1 1.8660 0.0000 . 2 . . . B 87 LYS HB3 . 11578 2 1097 . 2 2 89 89 LYS HG2 H 1 1.5570 0.0000 . 2 . . . B 87 LYS HG2 . 11578 2 1098 . 2 2 89 89 LYS HG3 H 1 1.4880 0.0000 . 2 . . . B 87 LYS HG3 . 11578 2 1099 . 2 2 89 89 LYS HD2 H 1 1.7250 0.0000 . 2 . . . B 87 LYS HD2 . 11578 2 1100 . 2 2 89 89 LYS HE2 H 1 3.0260 0.0000 . 2 . . . B 87 LYS HE2 . 11578 2 1101 . 2 2 89 89 LYS HE3 H 1 3.0200 0.0000 . 2 . . . B 87 LYS HE3 . 11578 2 1102 . 2 2 89 89 LYS C C 13 180.4330 0.0000 . 1 . . . B 87 LYS C . 11578 2 1103 . 2 2 89 89 LYS CA C 13 58.9710 0.0000 . 1 . . . B 87 LYS CA . 11578 2 1104 . 2 2 89 89 LYS CB C 13 31.7330 0.0000 . 1 . . . B 87 LYS CB . 11578 2 1105 . 2 2 89 89 LYS CG C 13 24.7790 0.0000 . 1 . . . B 87 LYS CG . 11578 2 1106 . 2 2 89 89 LYS CD C 13 28.8360 0.0000 . 1 . . . B 87 LYS CD . 11578 2 1107 . 2 2 89 89 LYS CE C 13 42.1650 0.0000 . 1 . . . B 87 LYS CE . 11578 2 1108 . 2 2 89 89 LYS N N 15 120.4750 0.0000 . 1 . . . B 87 LYS N . 11578 2 1109 . 2 2 90 90 GLU H H 1 8.4810 0.0000 . 1 . . . B 88 GLU H . 11578 2 1110 . 2 2 90 90 GLU HA H 1 4.0000 0.0000 . 1 . . . B 88 GLU HA . 11578 2 1111 . 2 2 90 90 GLU HB2 H 1 1.9790 0.0000 . 1 . . . B 88 GLU HB2 . 11578 2 1112 . 2 2 90 90 GLU HB3 H 1 2.4380 0.0000 . 1 . . . B 88 GLU HB3 . 11578 2 1113 . 2 2 90 90 GLU HG2 H 1 2.6020 0.0000 . 2 . . . B 88 GLU HG2 . 11578 2 1114 . 2 2 90 90 GLU HG3 H 1 2.2980 0.0000 . 2 . . . B 88 GLU HG3 . 11578 2 1115 . 2 2 90 90 GLU C C 13 177.6050 0.0000 . 1 . . . B 88 GLU C . 11578 2 1116 . 2 2 90 90 GLU CA C 13 58.9710 0.0000 . 1 . . . B 88 GLU CA . 11578 2 1117 . 2 2 90 90 GLU CB C 13 29.9950 0.0000 . 1 . . . B 88 GLU CB . 11578 2 1118 . 2 2 90 90 GLU CG C 13 36.9490 0.0000 . 1 . . . B 88 GLU CG . 11578 2 1119 . 2 2 90 90 GLU N N 15 121.9490 0.0000 . 1 . . . B 88 GLU N . 11578 2 1120 . 2 2 91 91 ARG H H 1 8.2980 0.0000 . 1 . . . B 89 ARG H . 11578 2 1121 . 2 2 91 91 ARG HA H 1 2.7630 0.0000 . 1 . . . B 89 ARG HA . 11578 2 1122 . 2 2 91 91 ARG HB2 H 1 1.6650 0.0000 . 1 . . . B 89 ARG HB2 . 11578 2 1123 . 2 2 91 91 ARG HB3 H 1 0.6620 0.0000 . 1 . . . B 89 ARG HB3 . 11578 2 1124 . 2 2 91 91 ARG HG2 H 1 1.4350 0.0000 . 2 . . . B 89 ARG HG2 . 11578 2 1125 . 2 2 91 91 ARG HG3 H 1 1.2880 0.0000 . 2 . . . B 89 ARG HG3 . 11578 2 1126 . 2 2 91 91 ARG HD2 H 1 3.2520 0.0000 . 2 . . . B 89 ARG HD2 . 11578 2 1127 . 2 2 91 91 ARG HD3 H 1 2.9150 0.0000 . 2 . . . B 89 ARG HD3 . 11578 2 1128 . 2 2 91 91 ARG C C 13 179.0010 0.0000 . 1 . . . B 89 ARG C . 11578 2 1129 . 2 2 91 91 ARG CA C 13 59.5510 0.0000 . 1 . . . B 89 ARG CA . 11578 2 1130 . 2 2 91 91 ARG CB C 13 27.6770 0.0000 . 1 . . . B 89 ARG CB . 11578 2 1131 . 2 2 91 91 ARG CG C 13 27.0970 0.0000 . 1 . . . B 89 ARG CG . 11578 2 1132 . 2 2 91 91 ARG CD C 13 42.1650 0.0000 . 1 . . . B 89 ARG CD . 11578 2 1133 . 2 2 91 91 ARG N N 15 121.0830 0.0000 . 1 . . . B 89 ARG N . 11578 2 1134 . 2 2 92 92 ASP H H 1 8.3690 0.0000 . 1 . . . B 90 ASP H . 11578 2 1135 . 2 2 92 92 ASP HA H 1 4.3200 0.0000 . 1 . . . B 90 ASP HA . 11578 2 1136 . 2 2 92 92 ASP HB2 H 1 2.6320 0.0000 . 1 . . . B 90 ASP HB2 . 11578 2 1137 . 2 2 92 92 ASP HB3 H 1 2.7660 0.0000 . 1 . . . B 90 ASP HB3 . 11578 2 1138 . 2 2 92 92 ASP C C 13 177.4330 0.0000 . 1 . . . B 90 ASP C . 11578 2 1139 . 2 2 92 92 ASP CA C 13 57.2330 0.0000 . 1 . . . B 90 ASP CA . 11578 2 1140 . 2 2 92 92 ASP CB C 13 39.2670 0.0000 . 1 . . . B 90 ASP CB . 11578 2 1141 . 2 2 92 92 ASP N N 15 120.5060 0.0000 . 1 . . . B 90 ASP N . 11578 2 1142 . 2 2 93 93 ALA H H 1 7.8030 0.0000 . 1 . . . B 91 ALA H . 11578 2 1143 . 2 2 93 93 ALA HA H 1 4.1900 0.0000 . 1 . . . B 91 ALA HA . 11578 2 1144 . 2 2 93 93 ALA HB1 H 1 1.5480 0.0000 . 1 . . . B 91 ALA HB1 . 11578 2 1145 . 2 2 93 93 ALA HB2 H 1 1.5480 0.0000 . 1 . . . B 91 ALA HB2 . 11578 2 1146 . 2 2 93 93 ALA HB3 H 1 1.5480 0.0000 . 1 . . . B 91 ALA HB3 . 11578 2 1147 . 2 2 93 93 ALA C C 13 181.0860 0.0000 . 1 . . . B 91 ALA C . 11578 2 1148 . 2 2 93 93 ALA CA C 13 54.9150 0.0000 . 1 . . . B 91 ALA CA . 11578 2 1149 . 2 2 93 93 ALA CB C 13 17.8150 0.0000 . 1 . . . B 91 ALA CB . 11578 2 1150 . 2 2 93 93 ALA N N 15 123.9080 0.0000 . 1 . . . B 91 ALA N . 11578 2 1151 . 2 2 94 94 VAL H H 1 7.9460 0.0000 . 1 . . . B 92 VAL H . 11578 2 1152 . 2 2 94 94 VAL HA H 1 3.4450 0.0000 . 1 . . . B 92 VAL HA . 11578 2 1153 . 2 2 94 94 VAL HB H 1 2.2860 0.0000 . 1 . . . B 92 VAL HB . 11578 2 1154 . 2 2 94 94 VAL HG11 H 1 1.0430 0.0000 . 1 . . . B 92 VAL HG11 . 11578 2 1155 . 2 2 94 94 VAL HG12 H 1 1.0430 0.0000 . 1 . . . B 92 VAL HG12 . 11578 2 1156 . 2 2 94 94 VAL HG13 H 1 1.0430 0.0000 . 1 . . . B 92 VAL HG13 . 11578 2 1157 . 2 2 94 94 VAL HG21 H 1 1.1880 0.0000 . 1 . . . B 92 VAL HG21 . 11578 2 1158 . 2 2 94 94 VAL HG22 H 1 1.1880 0.0000 . 1 . . . B 92 VAL HG22 . 11578 2 1159 . 2 2 94 94 VAL HG23 H 1 1.1880 0.0000 . 1 . . . B 92 VAL HG23 . 11578 2 1160 . 2 2 94 94 VAL C C 13 176.6640 0.0000 . 1 . . . B 92 VAL C . 11578 2 1161 . 2 2 94 94 VAL CA C 13 66.5150 0.0000 . 1 . . . B 92 VAL CA . 11578 2 1162 . 2 2 94 94 VAL CB C 13 31.7330 0.0000 . 1 . . . B 92 VAL CB . 11578 2 1163 . 2 2 94 94 VAL CG1 C 13 22.4510 0.0000 . 1 . . . B 92 VAL CG1 . 11578 2 1164 . 2 2 94 94 VAL CG2 C 13 24.2000 0.0000 . 1 . . . B 92 VAL CG2 . 11578 2 1165 . 2 2 94 94 VAL N N 15 120.4180 0.0000 . 1 . . . B 92 VAL N . 11578 2 1166 . 2 2 95 95 LYS H H 1 8.7400 0.0000 . 1 . . . B 93 LYS H . 11578 2 1167 . 2 2 95 95 LYS HA H 1 4.7630 0.0000 . 1 . . . B 93 LYS HA . 11578 2 1168 . 2 2 95 95 LYS HB2 H 1 1.9380 0.0000 . 1 . . . B 93 LYS HB2 . 11578 2 1169 . 2 2 95 95 LYS HB3 H 1 1.7720 0.0000 . 1 . . . B 93 LYS HB3 . 11578 2 1170 . 2 2 95 95 LYS HG2 H 1 1.4840 0.0000 . 2 . . . B 93 LYS HG2 . 11578 2 1171 . 2 2 95 95 LYS HG3 H 1 1.4560 0.0000 . 2 . . . B 93 LYS HG3 . 11578 2 1172 . 2 2 95 95 LYS HD2 H 1 1.6660 0.0000 . 2 . . . B 93 LYS HD2 . 11578 2 1173 . 2 2 95 95 LYS HD3 H 1 1.4830 0.0000 . 2 . . . B 93 LYS HD3 . 11578 2 1174 . 2 2 95 95 LYS HE2 H 1 2.9000 0.0000 . 2 . . . B 93 LYS HE2 . 11578 2 1175 . 2 2 95 95 LYS HE3 H 1 2.9000 0.0000 . 2 . . . B 93 LYS HE3 . 11578 2 1176 . 2 2 95 95 LYS C C 13 179.7490 0.0000 . 1 . . . B 93 LYS C . 11578 2 1177 . 2 2 95 95 LYS CA C 13 58.3920 0.0000 . 1 . . . B 93 LYS CA . 11578 2 1178 . 2 2 95 95 LYS CB C 13 31.7330 0.0000 . 1 . . . B 93 LYS CB . 11578 2 1179 . 2 2 95 95 LYS CG C 13 23.6100 0.0000 . 1 . . . B 93 LYS CG . 11578 2 1180 . 2 2 95 95 LYS CD C 13 29.4150 0.0000 . 1 . . . B 93 LYS CD . 11578 2 1181 . 2 2 95 95 LYS CE C 13 41.5850 0.0000 . 1 . . . B 93 LYS CE . 11578 2 1182 . 2 2 95 95 LYS N N 15 122.1460 0.0000 . 1 . . . B 93 LYS N . 11578 2 1183 . 2 2 96 96 ASP H H 1 8.6010 0.0000 . 1 . . . B 94 ASP H . 11578 2 1184 . 2 2 96 96 ASP HA H 1 4.3910 0.0000 . 1 . . . B 94 ASP HA . 11578 2 1185 . 2 2 96 96 ASP HB2 H 1 2.5840 0.0000 . 1 . . . B 94 ASP HB2 . 11578 2 1186 . 2 2 96 96 ASP HB3 H 1 2.7820 0.0000 . 1 . . . B 94 ASP HB3 . 11578 2 1187 . 2 2 96 96 ASP C C 13 179.3670 0.0000 . 1 . . . B 94 ASP C . 11578 2 1188 . 2 2 96 96 ASP CA C 13 57.2330 0.0000 . 1 . . . B 94 ASP CA . 11578 2 1189 . 2 2 96 96 ASP CB C 13 40.4260 0.0000 . 1 . . . B 94 ASP CB . 11578 2 1190 . 2 2 96 96 ASP N N 15 120.9520 0.0000 . 1 . . . B 94 ASP N . 11578 2 1191 . 2 2 97 97 LEU H H 1 7.6200 0.0000 . 1 . . . B 95 LEU H . 11578 2 1192 . 2 2 97 97 LEU HA H 1 4.2110 0.0000 . 1 . . . B 95 LEU HA . 11578 2 1193 . 2 2 97 97 LEU HB2 H 1 1.8260 0.0000 . 2 . . . B 95 LEU HB2 . 11578 2 1194 . 2 2 97 97 LEU HB3 H 1 1.4900 0.0000 . 2 . . . B 95 LEU HB3 . 11578 2 1195 . 2 2 97 97 LEU HG H 1 1.7190 0.0000 . 1 . . . B 95 LEU HG . 11578 2 1196 . 2 2 97 97 LEU HD11 H 1 0.9150 0.0000 . 2 . . . B 95 LEU HD11 . 11578 2 1197 . 2 2 97 97 LEU HD12 H 1 0.9150 0.0000 . 2 . . . B 95 LEU HD12 . 11578 2 1198 . 2 2 97 97 LEU HD13 H 1 0.9150 0.0000 . 2 . . . B 95 LEU HD13 . 11578 2 1199 . 2 2 97 97 LEU HD21 H 1 0.9010 0.0000 . 2 . . . B 95 LEU HD21 . 11578 2 1200 . 2 2 97 97 LEU HD22 H 1 0.9010 0.0000 . 2 . . . B 95 LEU HD22 . 11578 2 1201 . 2 2 97 97 LEU HD23 H 1 0.9010 0.0000 . 2 . . . B 95 LEU HD23 . 11578 2 1202 . 2 2 97 97 LEU C C 13 179.8950 0.0000 . 1 . . . B 95 LEU C . 11578 2 1203 . 2 2 97 97 LEU CA C 13 57.8120 0.0000 . 1 . . . B 95 LEU CA . 11578 2 1204 . 2 2 97 97 LEU CB C 13 41.5850 0.0000 . 1 . . . B 95 LEU CB . 11578 2 1205 . 2 2 97 97 LEU CG C 13 27.6770 0.0000 . 1 . . . B 95 LEU CG . 11578 2 1206 . 2 2 97 97 LEU CD1 C 13 25.3590 0.0000 . 2 . . . B 95 LEU CD1 . 11578 2 1207 . 2 2 97 97 LEU CD2 C 13 24.7790 0.0000 . 2 . . . B 95 LEU CD2 . 11578 2 1208 . 2 2 97 97 LEU N N 15 122.3940 0.0000 . 1 . . . B 95 LEU N . 11578 2 1209 . 2 2 98 98 LEU H H 1 8.9120 0.0000 . 1 . . . B 96 LEU H . 11578 2 1210 . 2 2 98 98 LEU HA H 1 3.8050 0.0000 . 1 . . . B 96 LEU HA . 11578 2 1211 . 2 2 98 98 LEU HB2 H 1 1.0960 0.0000 . 1 . . . B 96 LEU HB2 . 11578 2 1212 . 2 2 98 98 LEU HB3 H 1 2.1940 0.0000 . 1 . . . B 96 LEU HB3 . 11578 2 1213 . 2 2 98 98 LEU HG H 1 1.8280 0.0000 . 1 . . . B 96 LEU HG . 11578 2 1214 . 2 2 98 98 LEU HD11 H 1 0.8520 0.0000 . 1 . . . B 96 LEU HD11 . 11578 2 1215 . 2 2 98 98 LEU HD12 H 1 0.8520 0.0000 . 1 . . . B 96 LEU HD12 . 11578 2 1216 . 2 2 98 98 LEU HD13 H 1 0.8520 0.0000 . 1 . . . B 96 LEU HD13 . 11578 2 1217 . 2 2 98 98 LEU HD21 H 1 0.7840 0.0000 . 1 . . . B 96 LEU HD21 . 11578 2 1218 . 2 2 98 98 LEU HD22 H 1 0.7840 0.0000 . 1 . . . B 96 LEU HD22 . 11578 2 1219 . 2 2 98 98 LEU HD23 H 1 0.7840 0.0000 . 1 . . . B 96 LEU HD23 . 11578 2 1220 . 2 2 98 98 LEU C C 13 178.6900 0.0000 . 1 . . . B 96 LEU C . 11578 2 1221 . 2 2 98 98 LEU CA C 13 58.9710 0.0000 . 1 . . . B 96 LEU CA . 11578 2 1222 . 2 2 98 98 LEU CB C 13 41.0060 0.0000 . 1 . . . B 96 LEU CB . 11578 2 1223 . 2 2 98 98 LEU CG C 13 27.0970 0.0000 . 1 . . . B 96 LEU CG . 11578 2 1224 . 2 2 98 98 LEU CD1 C 13 27.0970 0.0000 . 1 . . . B 96 LEU CD1 . 11578 2 1225 . 2 2 98 98 LEU CD2 C 13 24.2000 0.0000 . 1 . . . B 96 LEU CD2 . 11578 2 1226 . 2 2 98 98 LEU N N 15 120.6300 0.0000 . 1 . . . B 96 LEU N . 11578 2 1227 . 2 2 99 99 GLN H H 1 8.3470 0.0000 . 1 . . . B 97 GLN H . 11578 2 1228 . 2 2 99 99 GLN HA H 1 4.0860 0.0000 . 1 . . . B 97 GLN HA . 11578 2 1229 . 2 2 99 99 GLN HB2 H 1 2.2800 0.0000 . 1 . . . B 97 GLN HB2 . 11578 2 1230 . 2 2 99 99 GLN HB3 H 1 2.1480 0.0000 . 1 . . . B 97 GLN HB3 . 11578 2 1231 . 2 2 99 99 GLN HG2 H 1 2.5390 0.0000 . 2 . . . B 97 GLN HG2 . 11578 2 1232 . 2 2 99 99 GLN HG3 H 1 2.3830 0.0000 . 2 . . . B 97 GLN HG3 . 11578 2 1233 . 2 2 99 99 GLN HE21 H 1 6.8880 0.0000 . 2 . . . B 97 GLN HE21 . 11578 2 1234 . 2 2 99 99 GLN HE22 H 1 7.5170 0.0000 . 2 . . . B 97 GLN HE22 . 11578 2 1235 . 2 2 99 99 GLN C C 13 177.7850 0.0000 . 1 . . . B 97 GLN C . 11578 2 1236 . 2 2 99 99 GLN CA C 13 58.3920 0.0000 . 1 . . . B 97 GLN CA . 11578 2 1237 . 2 2 99 99 GLN CB C 13 28.8360 0.0000 . 1 . . . B 97 GLN CB . 11578 2 1238 . 2 2 99 99 GLN CG C 13 34.0520 0.0000 . 1 . . . B 97 GLN CG . 11578 2 1239 . 2 2 99 99 GLN N N 15 118.0380 0.0000 . 1 . . . B 97 GLN N . 11578 2 1240 . 2 2 99 99 GLN NE2 N 15 112.5160 0.0000 . 1 . . . B 97 GLN NE2 . 11578 2 1241 . 2 2 100 100 GLN H H 1 7.2560 0.0000 . 1 . . . B 98 GLN H . 11578 2 1242 . 2 2 100 100 GLN HA H 1 4.2800 0.0000 . 1 . . . B 98 GLN HA . 11578 2 1243 . 2 2 100 100 GLN HB2 H 1 2.2120 0.0000 . 1 . . . B 98 GLN HB2 . 11578 2 1244 . 2 2 100 100 GLN HB3 H 1 2.2550 0.0000 . 1 . . . B 98 GLN HB3 . 11578 2 1245 . 2 2 100 100 GLN HG2 H 1 2.5750 0.0000 . 2 . . . B 98 GLN HG2 . 11578 2 1246 . 2 2 100 100 GLN HG3 H 1 2.3970 0.0000 . 2 . . . B 98 GLN HG3 . 11578 2 1247 . 2 2 100 100 GLN HE21 H 1 6.7800 0.0000 . 2 . . . B 98 GLN HE21 . 11578 2 1248 . 2 2 100 100 GLN HE22 H 1 7.3160 0.0000 . 2 . . . B 98 GLN HE22 . 11578 2 1249 . 2 2 100 100 GLN C C 13 178.1620 0.0000 . 1 . . . B 98 GLN C . 11578 2 1250 . 2 2 100 100 GLN CA C 13 57.2330 0.0000 . 1 . . . B 98 GLN CA . 11578 2 1251 . 2 2 100 100 GLN CB C 13 29.4150 0.0000 . 1 . . . B 98 GLN CB . 11578 2 1252 . 2 2 100 100 GLN CG C 13 34.0520 0.0000 . 1 . . . B 98 GLN CG . 11578 2 1253 . 2 2 100 100 GLN N N 15 115.5050 0.0000 . 1 . . . B 98 GLN N . 11578 2 1254 . 2 2 100 100 GLN NE2 N 15 112.8010 0.0000 . 1 . . . B 98 GLN NE2 . 11578 2 1255 . 2 2 101 101 LEU H H 1 8.1920 0.0000 . 1 . . . B 99 LEU H . 11578 2 1256 . 2 2 101 101 LEU HA H 1 4.1620 0.0000 . 1 . . . B 99 LEU HA . 11578 2 1257 . 2 2 101 101 LEU HB2 H 1 0.7800 0.0000 . 1 . . . B 99 LEU HB2 . 11578 2 1258 . 2 2 101 101 LEU HB3 H 1 1.1340 0.0000 . 1 . . . B 99 LEU HB3 . 11578 2 1259 . 2 2 101 101 LEU HG H 1 1.6640 0.0000 . 1 . . . B 99 LEU HG . 11578 2 1260 . 2 2 101 101 LEU HD11 H 1 0.6250 0.0000 . 1 . . . B 99 LEU HD11 . 11578 2 1261 . 2 2 101 101 LEU HD12 H 1 0.6250 0.0000 . 1 . . . B 99 LEU HD12 . 11578 2 1262 . 2 2 101 101 LEU HD13 H 1 0.6250 0.0000 . 1 . . . B 99 LEU HD13 . 11578 2 1263 . 2 2 101 101 LEU HD21 H 1 0.9210 0.0000 . 1 . . . B 99 LEU HD21 . 11578 2 1264 . 2 2 101 101 LEU HD22 H 1 0.9210 0.0000 . 1 . . . B 99 LEU HD22 . 11578 2 1265 . 2 2 101 101 LEU HD23 H 1 0.9210 0.0000 . 1 . . . B 99 LEU HD23 . 11578 2 1266 . 2 2 101 101 LEU C C 13 178.2180 0.0000 . 1 . . . B 99 LEU C . 11578 2 1267 . 2 2 101 101 LEU CA C 13 57.2330 0.0000 . 1 . . . B 99 LEU CA . 11578 2 1268 . 2 2 101 101 LEU CB C 13 42.7450 0.0000 . 1 . . . B 99 LEU CB . 11578 2 1269 . 2 2 101 101 LEU CG C 13 26.5180 0.0000 . 1 . . . B 99 LEU CG . 11578 2 1270 . 2 2 101 101 LEU CD1 C 13 25.9380 0.0000 . 1 . . . B 99 LEU CD1 . 11578 2 1271 . 2 2 101 101 LEU CD2 C 13 22.4510 0.0000 . 1 . . . B 99 LEU CD2 . 11578 2 1272 . 2 2 101 101 LEU N N 15 121.6540 0.0000 . 1 . . . B 99 LEU N . 11578 2 1273 . 2 2 102 102 LEU H H 1 8.7470 0.0000 . 1 . . . B 100 LEU H . 11578 2 1274 . 2 2 102 102 LEU HA H 1 4.0830 0.0000 . 1 . . . B 100 LEU HA . 11578 2 1275 . 2 2 102 102 LEU HB2 H 1 1.5240 0.0000 . 1 . . . B 100 LEU HB2 . 11578 2 1276 . 2 2 102 102 LEU HB3 H 1 2.0660 0.0000 . 1 . . . B 100 LEU HB3 . 11578 2 1277 . 2 2 102 102 LEU HG H 1 1.9740 0.0000 . 1 . . . B 100 LEU HG . 11578 2 1278 . 2 2 102 102 LEU HD11 H 1 0.7790 0.0000 . 1 . . . B 100 LEU HD11 . 11578 2 1279 . 2 2 102 102 LEU HD12 H 1 0.7790 0.0000 . 1 . . . B 100 LEU HD12 . 11578 2 1280 . 2 2 102 102 LEU HD13 H 1 0.7790 0.0000 . 1 . . . B 100 LEU HD13 . 11578 2 1281 . 2 2 102 102 LEU HD21 H 1 0.9140 0.0000 . 1 . . . B 100 LEU HD21 . 11578 2 1282 . 2 2 102 102 LEU HD22 H 1 0.9140 0.0000 . 1 . . . B 100 LEU HD22 . 11578 2 1283 . 2 2 102 102 LEU HD23 H 1 0.9140 0.0000 . 1 . . . B 100 LEU HD23 . 11578 2 1284 . 2 2 102 102 LEU CA C 13 60.7100 0.0000 . 1 . . . B 100 LEU CA . 11578 2 1285 . 2 2 102 102 LEU CB C 13 38.1080 0.0000 . 1 . . . B 100 LEU CB . 11578 2 1286 . 2 2 102 102 LEU CG C 13 27.0970 0.0000 . 1 . . . B 100 LEU CG . 11578 2 1287 . 2 2 102 102 LEU CD1 C 13 24.7790 0.0000 . 1 . . . B 100 LEU CD1 . 11578 2 1288 . 2 2 102 102 LEU CD2 C 13 23.6100 0.0000 . 1 . . . B 100 LEU CD2 . 11578 2 1289 . 2 2 102 102 LEU N N 15 118.3710 0.0000 . 1 . . . B 100 LEU N . 11578 2 1290 . 2 2 103 103 PRO HA H 1 4.3320 0.0000 . 1 . . . B 101 PRO HA . 11578 2 1291 . 2 2 103 103 PRO HB2 H 1 1.8100 0.0000 . 2 . . . B 101 PRO HB2 . 11578 2 1292 . 2 2 103 103 PRO HB3 H 1 2.3900 0.0000 . 2 . . . B 101 PRO HB3 . 11578 2 1293 . 2 2 103 103 PRO HG2 H 1 2.1260 0.0000 . 2 . . . B 101 PRO HG2 . 11578 2 1294 . 2 2 103 103 PRO HG3 H 1 2.0100 0.0000 . 2 . . . B 101 PRO HG3 . 11578 2 1295 . 2 2 103 103 PRO HD2 H 1 3.6500 0.0000 . 2 . . . B 101 PRO HD2 . 11578 2 1296 . 2 2 103 103 PRO HD3 H 1 3.3970 0.0000 . 2 . . . B 101 PRO HD3 . 11578 2 1297 . 2 2 103 103 PRO C C 13 178.6170 0.0000 . 1 . . . B 101 PRO C . 11578 2 1298 . 2 2 103 103 PRO CA C 13 65.3560 0.0000 . 1 . . . B 101 PRO CA . 11578 2 1299 . 2 2 103 103 PRO CB C 13 31.1540 0.0000 . 1 . . . B 101 PRO CB . 11578 2 1300 . 2 2 103 103 PRO CG C 13 28.2560 0.0000 . 1 . . . B 101 PRO CG . 11578 2 1301 . 2 2 103 103 PRO CD C 13 51.4370 0.0000 . 1 . . . B 101 PRO CD . 11578 2 1302 . 2 2 104 104 LYS H H 1 7.1520 0.0000 . 1 . . . B 102 LYS H . 11578 2 1303 . 2 2 104 104 LYS HA H 1 3.9720 0.0000 . 1 . . . B 102 LYS HA . 11578 2 1304 . 2 2 104 104 LYS HB2 H 1 1.8440 0.0000 . 2 . . . B 102 LYS HB2 . 11578 2 1305 . 2 2 104 104 LYS HB3 H 1 1.6540 0.0000 . 2 . . . B 102 LYS HB3 . 11578 2 1306 . 2 2 104 104 LYS HG2 H 1 1.3950 0.0000 . 2 . . . B 102 LYS HG2 . 11578 2 1307 . 2 2 104 104 LYS HG3 H 1 0.9460 0.0000 . 2 . . . B 102 LYS HG3 . 11578 2 1308 . 2 2 104 104 LYS HD2 H 1 1.6290 0.0000 . 2 . . . B 102 LYS HD2 . 11578 2 1309 . 2 2 104 104 LYS HD3 H 1 1.5870 0.0000 . 2 . . . B 102 LYS HD3 . 11578 2 1310 . 2 2 104 104 LYS HE2 H 1 2.9030 0.0000 . 2 . . . B 102 LYS HE2 . 11578 2 1311 . 2 2 104 104 LYS C C 13 177.2560 0.0000 . 1 . . . B 102 LYS C . 11578 2 1312 . 2 2 104 104 LYS CA C 13 58.3920 0.0000 . 1 . . . B 102 LYS CA . 11578 2 1313 . 2 2 104 104 LYS CB C 13 32.3130 0.0000 . 1 . . . B 102 LYS CB . 11578 2 1314 . 2 2 104 104 LYS CG C 13 24.7790 0.0000 . 1 . . . B 102 LYS CG . 11578 2 1315 . 2 2 104 104 LYS CD C 13 29.4150 0.0000 . 1 . . . B 102 LYS CD . 11578 2 1316 . 2 2 104 104 LYS CE C 13 41.5850 0.0000 . 1 . . . B 102 LYS CE . 11578 2 1317 . 2 2 104 104 LYS N N 15 116.6880 0.0000 . 1 . . . B 102 LYS N . 11578 2 1318 . 2 2 105 105 PHE H H 1 7.4250 0.0000 . 1 . . . B 103 PHE H . 11578 2 1319 . 2 2 105 105 PHE HA H 1 4.6270 0.0000 . 1 . . . B 103 PHE HA . 11578 2 1320 . 2 2 105 105 PHE HB2 H 1 3.4740 0.0000 . 1 . . . B 103 PHE HB2 . 11578 2 1321 . 2 2 105 105 PHE HB3 H 1 2.4860 0.0000 . 1 . . . B 103 PHE HB3 . 11578 2 1322 . 2 2 105 105 PHE HD1 H 1 7.5940 0.0000 . 3 . . . B 103 PHE HD1 . 11578 2 1323 . 2 2 105 105 PHE HD2 H 1 7.5940 0.0000 . 3 . . . B 103 PHE HD2 . 11578 2 1324 . 2 2 105 105 PHE HE1 H 1 7.5650 0.0000 . 3 . . . B 103 PHE HE1 . 11578 2 1325 . 2 2 105 105 PHE HE2 H 1 7.5650 0.0000 . 3 . . . B 103 PHE HE2 . 11578 2 1326 . 2 2 105 105 PHE HZ H 1 7.5560 0.0000 . 1 . . . B 103 PHE HZ . 11578 2 1327 . 2 2 105 105 PHE C C 13 174.4690 0.0000 . 1 . . . B 103 PHE C . 11578 2 1328 . 2 2 105 105 PHE CA C 13 57.8120 0.0000 . 1 . . . B 103 PHE CA . 11578 2 1329 . 2 2 105 105 PHE CB C 13 40.4260 0.0000 . 1 . . . B 103 PHE CB . 11578 2 1330 . 2 2 105 105 PHE CD1 C 13 133.1510 0.0000 . 3 . . . B 103 PHE CD1 . 11578 2 1331 . 2 2 105 105 PHE CD2 C 13 133.1510 0.0000 . 3 . . . B 103 PHE CD2 . 11578 2 1332 . 2 2 105 105 PHE CE1 C 13 131.4130 0.0000 . 3 . . . B 103 PHE CE1 . 11578 2 1333 . 2 2 105 105 PHE CE2 C 13 131.4130 0.0000 . 3 . . . B 103 PHE CE2 . 11578 2 1334 . 2 2 105 105 PHE CZ C 13 128.5150 0.0000 . 1 . . . B 103 PHE CZ . 11578 2 1335 . 2 2 105 105 PHE N N 15 116.1830 0.0000 . 1 . . . B 103 PHE N . 11578 2 1336 . 2 2 106 106 LYS H H 1 7.0880 0.0000 . 1 . . . B 104 LYS H . 11578 2 1337 . 2 2 106 106 LYS HA H 1 4.4250 0.0000 . 1 . . . B 104 LYS HA . 11578 2 1338 . 2 2 106 106 LYS HB2 H 1 1.9020 0.0000 . 2 . . . B 104 LYS HB2 . 11578 2 1339 . 2 2 106 106 LYS HB3 H 1 1.8800 0.0000 . 2 . . . B 104 LYS HB3 . 11578 2 1340 . 2 2 106 106 LYS HG2 H 1 1.5740 0.0000 . 2 . . . B 104 LYS HG2 . 11578 2 1341 . 2 2 106 106 LYS HG3 H 1 1.5740 0.0000 . 2 . . . B 104 LYS HG3 . 11578 2 1342 . 2 2 106 106 LYS HD2 H 1 1.7990 0.0000 . 2 . . . B 104 LYS HD2 . 11578 2 1343 . 2 2 106 106 LYS HE2 H 1 3.0780 0.0000 . 2 . . . B 104 LYS HE2 . 11578 2 1344 . 2 2 106 106 LYS HE3 H 1 3.0780 0.0000 . 2 . . . B 104 LYS HE3 . 11578 2 1345 . 2 2 106 106 LYS C C 13 176.7470 0.0000 . 1 . . . B 104 LYS C . 11578 2 1346 . 2 2 106 106 LYS CA C 13 56.6530 0.0000 . 1 . . . B 104 LYS CA . 11578 2 1347 . 2 2 106 106 LYS CB C 13 33.4720 0.0000 . 1 . . . B 104 LYS CB . 11578 2 1348 . 2 2 106 106 LYS CG C 13 24.2000 0.0000 . 1 . . . B 104 LYS CG . 11578 2 1349 . 2 2 106 106 LYS CD C 13 29.4150 0.0000 . 1 . . . B 104 LYS CD . 11578 2 1350 . 2 2 106 106 LYS CE C 13 41.5850 0.0000 . 1 . . . B 104 LYS CE . 11578 2 1351 . 2 2 106 106 LYS N N 15 121.7790 0.0000 . 1 . . . B 104 LYS N . 11578 2 1352 . 2 2 107 107 ARG H H 1 8.6420 0.0000 . 1 . . . B 105 ARG H . 11578 2 1353 . 2 2 107 107 ARG HA H 1 4.3470 0.0000 . 1 . . . B 105 ARG HA . 11578 2 1354 . 2 2 107 107 ARG HB2 H 1 1.8210 0.0000 . 2 . . . B 105 ARG HB2 . 11578 2 1355 . 2 2 107 107 ARG HB3 H 1 1.7680 0.0000 . 2 . . . B 105 ARG HB3 . 11578 2 1356 . 2 2 107 107 ARG HG2 H 1 1.7520 0.0000 . 2 . . . B 105 ARG HG2 . 11578 2 1357 . 2 2 107 107 ARG HG3 H 1 1.6800 0.0000 . 2 . . . B 105 ARG HG3 . 11578 2 1358 . 2 2 107 107 ARG HD2 H 1 3.1360 0.0000 . 2 . . . B 105 ARG HD2 . 11578 2 1359 . 2 2 107 107 ARG HD3 H 1 3.0340 0.0000 . 2 . . . B 105 ARG HD3 . 11578 2 1360 . 2 2 107 107 ARG C C 13 176.3250 0.0000 . 1 . . . B 105 ARG C . 11578 2 1361 . 2 2 107 107 ARG CA C 13 56.0740 0.0000 . 1 . . . B 105 ARG CA . 11578 2 1362 . 2 2 107 107 ARG CB C 13 30.5740 0.0000 . 1 . . . B 105 ARG CB . 11578 2 1363 . 2 2 107 107 ARG CG C 13 27.0970 0.0000 . 1 . . . B 105 ARG CG . 11578 2 1364 . 2 2 107 107 ARG CD C 13 43.3240 0.0000 . 1 . . . B 105 ARG CD . 11578 2 1365 . 2 2 107 107 ARG N N 15 125.6010 0.0000 . 1 . . . B 105 ARG N . 11578 2 1366 . 2 2 108 108 LYS H H 1 8.4460 0.0000 . 1 . . . B 106 LYS H . 11578 2 1367 . 2 2 108 108 LYS HA H 1 4.3390 0.0000 . 1 . . . B 106 LYS HA . 11578 2 1368 . 2 2 108 108 LYS HB2 H 1 1.8730 0.0000 . 2 . . . B 106 LYS HB2 . 11578 2 1369 . 2 2 108 108 LYS HB3 H 1 1.7770 0.0000 . 2 . . . B 106 LYS HB3 . 11578 2 1370 . 2 2 108 108 LYS HG2 H 1 1.4750 0.0000 . 2 . . . B 106 LYS HG2 . 11578 2 1371 . 2 2 108 108 LYS HG3 H 1 1.4640 0.0000 . 2 . . . B 106 LYS HG3 . 11578 2 1372 . 2 2 108 108 LYS HD2 H 1 1.7000 0.0000 . 2 . . . B 106 LYS HD2 . 11578 2 1373 . 2 2 108 108 LYS HE2 H 1 2.9070 0.0000 . 2 . . . B 106 LYS HE2 . 11578 2 1374 . 2 2 108 108 LYS C C 13 176.0420 0.0000 . 1 . . . B 106 LYS C . 11578 2 1375 . 2 2 108 108 LYS CA C 13 56.0740 0.0000 . 1 . . . B 106 LYS CA . 11578 2 1376 . 2 2 108 108 LYS CB C 13 32.8930 0.0000 . 1 . . . B 106 LYS CB . 11578 2 1377 . 2 2 108 108 LYS CG C 13 24.2000 0.0000 . 1 . . . B 106 LYS CG . 11578 2 1378 . 2 2 108 108 LYS CD C 13 28.8360 0.0000 . 1 . . . B 106 LYS CD . 11578 2 1379 . 2 2 108 108 LYS CE C 13 41.5850 0.0000 . 1 . . . B 106 LYS CE . 11578 2 1380 . 2 2 108 108 LYS N N 15 124.6070 0.0000 . 1 . . . B 106 LYS N . 11578 2 1381 . 2 2 109 109 ALA H H 1 8.3840 0.0000 . 1 . . . B 107 ALA H . 11578 2 1382 . 2 2 109 109 ALA HA H 1 4.3420 0.0000 . 1 . . . B 107 ALA HA . 11578 2 1383 . 2 2 109 109 ALA HB1 H 1 1.3860 0.0000 . 1 . . . B 107 ALA HB1 . 11578 2 1384 . 2 2 109 109 ALA HB2 H 1 1.3860 0.0000 . 1 . . . B 107 ALA HB2 . 11578 2 1385 . 2 2 109 109 ALA HB3 H 1 1.3860 0.0000 . 1 . . . B 107 ALA HB3 . 11578 2 1386 . 2 2 109 109 ALA C C 13 176.4260 0.0000 . 1 . . . B 107 ALA C . 11578 2 1387 . 2 2 109 109 ALA CA C 13 52.5970 0.0000 . 1 . . . B 107 ALA CA . 11578 2 1388 . 2 2 109 109 ALA CB C 13 19.5530 0.0000 . 1 . . . B 107 ALA CB . 11578 2 1389 . 2 2 109 109 ALA N N 15 127.0420 0.0000 . 1 . . . B 107 ALA N . 11578 2 1390 . 2 2 110 110 ASN H H 1 7.9440 0.0000 . 1 . . . B 108 ASN H . 11578 2 1391 . 2 2 110 110 ASN HA H 1 4.4330 0.0000 . 1 . . . B 108 ASN HA . 11578 2 1392 . 2 2 110 110 ASN HB2 H 1 2.7460 0.0000 . 2 . . . B 108 ASN HB2 . 11578 2 1393 . 2 2 110 110 ASN HB3 H 1 2.6690 0.0000 . 2 . . . B 108 ASN HB3 . 11578 2 1394 . 2 2 110 110 ASN HD21 H 1 6.7760 0.0000 . 2 . . . B 108 ASN HD21 . 11578 2 1395 . 2 2 110 110 ASN HD22 H 1 7.4850 0.0000 . 2 . . . B 108 ASN HD22 . 11578 2 1396 . 2 2 110 110 ASN CA C 13 54.3350 0.0000 . 1 . . . B 108 ASN CA . 11578 2 1397 . 2 2 110 110 ASN CB C 13 40.4260 0.0000 . 1 . . . B 108 ASN CB . 11578 2 1398 . 2 2 110 110 ASN N N 15 124.1380 0.0000 . 1 . . . B 108 ASN N . 11578 2 1399 . 2 2 110 110 ASN ND2 N 15 113.5060 0.0000 . 1 . . . B 108 ASN ND2 . 11578 2 stop_ save_