data_36546 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36546 _Entry.Title ; Solution structure of the PH domain from the Tfb1 subunit of fission yeast TFIIH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-23 _Entry.Accession_date 2025-09-17 _Entry.Last_release_date 2025-09-17 _Entry.Original_release_date 2025-09-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 M. Okuda M. . . . 36546 2 Y. Nishimura Y. . . . 36546 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 36546 'Transcription factor Nucleotide excision repair factor Nuclear protein' . 36546 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36546 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 36546 '15N chemical shifts' 120 36546 '1H chemical shifts' 734 36546 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 . . 2025-11-04 . original BMRB . 36546 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36406 'Solution structure of the complex between RNA polymerase subunit RPB6 and TFIIH p62 PH domain' 36546 PDB 8I53 'BMRB Entry Tracking System' 36546 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36546 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37340985 _Citation.DOI 10.1042/BSR20230846 _Citation.Full_citation . _Citation.Title ; Structural polymorphism of the PH domain in TFIIH. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biosci. Rep.' _Citation.Journal_name_full 'Bioscience reports' _Citation.Journal_volume 43 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0144-8463 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2023 _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 M. . . . 36546 1 2 Yoshifumi Nishimura Y. . . . 36546 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36546 _Assembly.ID 1 _Assembly.Name 'General transcription and DNA repair factor IIH subunit tfb1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'all free' _Assembly.Molecular_mass 12304.934 _Assembly.Enzyme_commission_number . _Assembly.Details ; TFIIH subunit tfb1,RNA polymerase II transcription factor B 73 kDa subunit, RNA polymerase II transcription factor B p73 subunit,RNA polymerase II transcription factor B subunit 1. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36546 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A -2 GLY . start no . 36546 1 . 1 1 10 ALA 10 . A 7 ALA . middle . . 36546 1 . 1 1 100 ALA 100 . A 97 ALA . middle . . 36546 1 . 1 1 101 ILE 101 . A 98 ILE . middle . . 36546 1 . 1 1 102 GLN 102 . A 99 GLN . middle . . 36546 1 . 1 1 103 ARG 103 . A 100 ARG . middle . . 36546 1 . 1 1 104 GLN 104 . A 101 GLN . middle . . 36546 1 . 1 1 105 ARG 105 . A 102 ARG . middle . . 36546 1 . 1 1 106 GLU 106 . A 103 GLU . middle . . 36546 1 . 1 1 107 GLY 107 . A 104 GLY . middle no . 36546 1 . 1 1 108 SER 108 . A 105 SER . middle . . 36546 1 . 1 1 109 GLN 109 . A 106 GLN . middle . . 36546 1 . 1 1 11 LEU 11 . A 8 LEU . middle . . 36546 1 . 1 1 110 SER 110 . A 107 SER . middle . . 36546 1 . 1 1 111 LYS 111 . A 108 LYS . end . . 36546 1 . 1 1 12 ALA 12 . A 9 ALA . middle . . 36546 1 . 1 1 13 ILE 13 . A 10 ILE . middle . . 36546 1 . 1 1 14 PHE 14 . A 11 PHE . middle . . 36546 1 . 1 1 15 ARG 15 . A 12 ARG . middle . . 36546 1 . 1 1 16 LYS 16 . A 13 LYS . middle . . 36546 1 . 1 1 17 LYS 17 . A 14 LYS . middle . . 36546 1 . 1 1 18 GLN 18 . A 15 GLN . middle . . 36546 1 . 1 1 19 GLY 19 . A 16 GLY . middle no . 36546 1 . 1 1 2 SER 2 . A -1 SER . middle . . 36546 1 . 1 1 20 VAL 20 . A 17 VAL . middle . . 36546 1 . 1 1 21 LEU 21 . A 18 LEU . middle . . 36546 1 . 1 1 22 SER 22 . A 19 SER . middle . . 36546 1 . 1 1 23 ILE 23 . A 20 ILE . middle . . 36546 1 . 1 1 24 ASP 24 . A 21 ASP . middle . . 36546 1 . 1 1 25 SER 25 . A 22 SER . middle . . 36546 1 . 1 1 26 ARG 26 . A 23 ARG . middle . . 36546 1 . 1 1 27 LEU 27 . A 24 LEU . middle . . 36546 1 . 1 1 28 LYS 28 . A 25 LYS . middle . . 36546 1 . 1 1 29 TRP 29 . A 26 TRP . middle . . 36546 1 . 1 1 3 HIS 3 . A 0 HIS . middle . . 36546 1 . 1 1 30 THR 30 . A 27 THR . middle . . 36546 1 . 1 1 31 GLY 31 . A 28 GLY . middle no . 36546 1 . 1 1 32 GLU 32 . A 29 GLU . middle . . 36546 1 . 1 1 33 GLY 33 . A 30 GLY . middle no . 36546 1 . 1 1 34 LYS 34 . A 31 LYS . middle . . 36546 1 . 1 1 35 THR 35 . A 32 THR . middle . . 36546 1 . 1 1 36 THR 36 . A 33 THR . middle . . 36546 1 . 1 1 37 PRO 37 . A 34 PRO . middle no . 36546 1 . 1 1 38 SER 38 . A 35 SER . middle . . 36546 1 . 1 1 39 VAL 39 . A 36 VAL . middle . . 36546 1 . 1 1 4 MET 4 . A 1 MET . middle . . 36546 1 . 1 1 40 ASP 40 . A 37 ASP . middle . . 36546 1 . 1 1 41 ILE 41 . A 38 ILE . middle . . 36546 1 . 1 1 42 ALA 42 . A 39 ALA . middle . . 36546 1 . 1 1 43 PHE 43 . A 40 PHE . middle . . 36546 1 . 1 1 44 ASP 44 . A 41 ASP . middle . . 36546 1 . 1 1 45 ALA 45 . A 42 ALA . middle . . 36546 1 . 1 1 46 ILE 46 . A 43 ILE . middle . . 36546 1 . 1 1 47 SER 47 . A 44 SER . middle . . 36546 1 . 1 1 48 ASN 48 . A 45 ASN . middle . . 36546 1 . 1 1 49 LEU 49 . A 46 LEU . middle . . 36546 1 . 1 1 5 GLY 5 . A 2 GLY . middle no . 36546 1 . 1 1 50 GLN 50 . A 47 GLN . middle . . 36546 1 . 1 1 51 THR 51 . A 48 THR . middle . . 36546 1 . 1 1 52 THR 52 . A 49 THR . middle . . 36546 1 . 1 1 53 PRO 53 . A 50 PRO . middle no . 36546 1 . 1 1 54 ALA 54 . A 51 ALA . middle . . 36546 1 . 1 1 55 SER 55 . A 52 SER . middle . . 36546 1 . 1 1 56 ASN 56 . A 53 ASN . middle . . 36546 1 . 1 1 57 PRO 57 . A 54 PRO . middle no . 36546 1 . 1 1 58 LYS 58 . A 55 LYS . middle . . 36546 1 . 1 1 59 VAL 59 . A 56 VAL . middle . . 36546 1 . 1 1 6 ASP 6 . A 3 ASP . middle . . 36546 1 . 1 1 60 MET 60 . A 57 MET . middle . . 36546 1 . 1 1 61 ILE 61 . A 58 ILE . middle . . 36546 1 . 1 1 62 ARG 62 . A 59 ARG . middle . . 36546 1 . 1 1 63 VAL 63 . A 60 VAL . middle . . 36546 1 . 1 1 64 PHE 64 . A 61 PHE . middle . . 36546 1 . 1 1 65 ILE 65 . A 62 ILE . middle . . 36546 1 . 1 1 66 VAL 66 . A 63 VAL . middle . . 36546 1 . 1 1 67 VAL 67 . A 64 VAL . middle . . 36546 1 . 1 1 68 LYS 68 . A 65 LYS . middle . . 36546 1 . 1 1 69 GLU 69 . A 66 GLU . middle . . 36546 1 . 1 1 7 ARG 7 . A 4 ARG . middle . . 36546 1 . 1 1 70 GLY 70 . A 67 GLY . middle no . 36546 1 . 1 1 71 GLU 71 . A 68 GLU . middle . . 36546 1 . 1 1 72 ASP 72 . A 69 ASP . middle . . 36546 1 . 1 1 73 PRO 73 . A 70 PRO . middle no . 36546 1 . 1 1 74 THR 74 . A 71 THR . middle . . 36546 1 . 1 1 75 SER 75 . A 72 SER . middle . . 36546 1 . 1 1 76 LEU 76 . A 73 LEU . middle . . 36546 1 . 1 1 77 VAL 77 . A 74 VAL . middle . . 36546 1 . 1 1 78 PHE 78 . A 75 PHE . middle . . 36546 1 . 1 1 79 HIS 79 . A 76 HIS . middle . . 36546 1 . 1 1 8 VAL 8 . A 5 VAL . middle . . 36546 1 . 1 1 80 PHE 80 . A 77 PHE . middle . . 36546 1 . 1 1 81 THR 81 . A 78 THR . middle . . 36546 1 . 1 1 82 GLY 82 . A 79 GLY . middle no . 36546 1 . 1 1 83 THR 83 . A 80 THR . middle . . 36546 1 . 1 1 84 PRO 84 . A 81 PRO . middle no . 36546 1 . 1 1 85 ASN 85 . A 82 ASN . middle . . 36546 1 . 1 1 86 ALA 86 . A 83 ALA . middle . . 36546 1 . 1 1 87 ARG 87 . A 84 ARG . middle . . 36546 1 . 1 1 88 GLU 88 . A 85 GLU . middle . . 36546 1 . 1 1 89 ASN 89 . A 86 ASN . middle . . 36546 1 . 1 1 9 GLU 9 . A 6 GLU . middle . . 36546 1 . 1 1 90 CYS 90 . A 87 CYS . middle . . 36546 1 . 1 1 91 ASP 91 . A 88 ASP . middle . . 36546 1 . 1 1 92 MET 92 . A 89 MET . middle . . 36546 1 . 1 1 93 ILE 93 . A 90 ILE . middle . . 36546 1 . 1 1 94 THR 94 . A 91 THR . middle . . 36546 1 . 1 1 95 ASN 95 . A 92 ASN . middle . . 36546 1 . 1 1 96 GLU 96 . A 93 GLU . middle . . 36546 1 . 1 1 97 LEU 97 . A 94 LEU . middle . . 36546 1 . 1 1 98 ARG 98 . A 95 ARG . middle . . 36546 1 . 1 1 99 ASN 99 . A 96 ASN . middle . . 36546 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36546 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'General transcription and DNA repair factor IIH subunit tfb1' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; GSHMGDRVEALAIFRKKQGV LSIDSRLKWTGEGKTTPSVD IAFDAISNLQTTPASNPKVM IRVFIVVKEGEDPTSLVFHF TGTPNARENCDMITNELRNA IQRQREGSQSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12304.934 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ; TFIIH subunit tfb1,RNA polymerase II transcription factor B 73 kDa subunit,RNA polymerase II transcription factor B p73 subunit,RNA polymerase II transcription factor B subunit 1 ; common 36546 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 36546 1 2 -1 SER . 36546 1 3 0 HIS . 36546 1 4 1 MET . 36546 1 5 2 GLY . 36546 1 6 3 ASP . 36546 1 7 4 ARG . 36546 1 8 5 VAL . 36546 1 9 6 GLU . 36546 1 10 7 ALA . 36546 1 11 8 LEU . 36546 1 12 9 ALA . 36546 1 13 10 ILE . 36546 1 14 11 PHE . 36546 1 15 12 ARG . 36546 1 16 13 LYS . 36546 1 17 14 LYS . 36546 1 18 15 GLN . 36546 1 19 16 GLY . 36546 1 20 17 VAL . 36546 1 21 18 LEU . 36546 1 22 19 SER . 36546 1 23 20 ILE . 36546 1 24 21 ASP . 36546 1 25 22 SER . 36546 1 26 23 ARG . 36546 1 27 24 LEU . 36546 1 28 25 LYS . 36546 1 29 26 TRP . 36546 1 30 27 THR . 36546 1 31 28 GLY . 36546 1 32 29 GLU . 36546 1 33 30 GLY . 36546 1 34 31 LYS . 36546 1 35 32 THR . 36546 1 36 33 THR . 36546 1 37 34 PRO . 36546 1 38 35 SER . 36546 1 39 36 VAL . 36546 1 40 37 ASP . 36546 1 41 38 ILE . 36546 1 42 39 ALA . 36546 1 43 40 PHE . 36546 1 44 41 ASP . 36546 1 45 42 ALA . 36546 1 46 43 ILE . 36546 1 47 44 SER . 36546 1 48 45 ASN . 36546 1 49 46 LEU . 36546 1 50 47 GLN . 36546 1 51 48 THR . 36546 1 52 49 THR . 36546 1 53 50 PRO . 36546 1 54 51 ALA . 36546 1 55 52 SER . 36546 1 56 53 ASN . 36546 1 57 54 PRO . 36546 1 58 55 LYS . 36546 1 59 56 VAL . 36546 1 60 57 MET . 36546 1 61 58 ILE . 36546 1 62 59 ARG . 36546 1 63 60 VAL . 36546 1 64 61 PHE . 36546 1 65 62 ILE . 36546 1 66 63 VAL . 36546 1 67 64 VAL . 36546 1 68 65 LYS . 36546 1 69 66 GLU . 36546 1 70 67 GLY . 36546 1 71 68 GLU . 36546 1 72 69 ASP . 36546 1 73 70 PRO . 36546 1 74 71 THR . 36546 1 75 72 SER . 36546 1 76 73 LEU . 36546 1 77 74 VAL . 36546 1 78 75 PHE . 36546 1 79 76 HIS . 36546 1 80 77 PHE . 36546 1 81 78 THR . 36546 1 82 79 GLY . 36546 1 83 80 THR . 36546 1 84 81 PRO . 36546 1 85 82 ASN . 36546 1 86 83 ALA . 36546 1 87 84 ARG . 36546 1 88 85 GLU . 36546 1 89 86 ASN . 36546 1 90 87 CYS . 36546 1 91 88 ASP . 36546 1 92 89 MET . 36546 1 93 90 ILE . 36546 1 94 91 THR . 36546 1 95 92 ASN . 36546 1 96 93 GLU . 36546 1 97 94 LEU . 36546 1 98 95 ARG . 36546 1 99 96 ASN . 36546 1 100 97 ALA . 36546 1 101 98 ILE . 36546 1 102 99 GLN . 36546 1 103 100 ARG . 36546 1 104 101 GLN . 36546 1 105 102 ARG . 36546 1 106 103 GLU . 36546 1 107 104 GLY . 36546 1 108 105 SER . 36546 1 109 106 GLN . 36546 1 110 107 SER . 36546 1 111 108 LYS . 36546 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 36546 1 . SER 2 2 36546 1 . HIS 3 3 36546 1 . MET 4 4 36546 1 . GLY 5 5 36546 1 . ASP 6 6 36546 1 . ARG 7 7 36546 1 . VAL 8 8 36546 1 . GLU 9 9 36546 1 . ALA 10 10 36546 1 . LEU 11 11 36546 1 . ALA 12 12 36546 1 . ILE 13 13 36546 1 . PHE 14 14 36546 1 . ARG 15 15 36546 1 . LYS 16 16 36546 1 . LYS 17 17 36546 1 . GLN 18 18 36546 1 . GLY 19 19 36546 1 . VAL 20 20 36546 1 . LEU 21 21 36546 1 . SER 22 22 36546 1 . ILE 23 23 36546 1 . ASP 24 24 36546 1 . SER 25 25 36546 1 . ARG 26 26 36546 1 . LEU 27 27 36546 1 . LYS 28 28 36546 1 . TRP 29 29 36546 1 . THR 30 30 36546 1 . GLY 31 31 36546 1 . GLU 32 32 36546 1 . GLY 33 33 36546 1 . LYS 34 34 36546 1 . THR 35 35 36546 1 . THR 36 36 36546 1 . PRO 37 37 36546 1 . SER 38 38 36546 1 . VAL 39 39 36546 1 . ASP 40 40 36546 1 . ILE 41 41 36546 1 . ALA 42 42 36546 1 . PHE 43 43 36546 1 . ASP 44 44 36546 1 . ALA 45 45 36546 1 . ILE 46 46 36546 1 . SER 47 47 36546 1 . ASN 48 48 36546 1 . LEU 49 49 36546 1 . GLN 50 50 36546 1 . THR 51 51 36546 1 . THR 52 52 36546 1 . PRO 53 53 36546 1 . ALA 54 54 36546 1 . SER 55 55 36546 1 . ASN 56 56 36546 1 . PRO 57 57 36546 1 . LYS 58 58 36546 1 . VAL 59 59 36546 1 . MET 60 60 36546 1 . ILE 61 61 36546 1 . ARG 62 62 36546 1 . VAL 63 63 36546 1 . PHE 64 64 36546 1 . ILE 65 65 36546 1 . VAL 66 66 36546 1 . VAL 67 67 36546 1 . LYS 68 68 36546 1 . GLU 69 69 36546 1 . GLY 70 70 36546 1 . GLU 71 71 36546 1 . ASP 72 72 36546 1 . PRO 73 73 36546 1 . THR 74 74 36546 1 . SER 75 75 36546 1 . LEU 76 76 36546 1 . VAL 77 77 36546 1 . PHE 78 78 36546 1 . HIS 79 79 36546 1 . PHE 80 80 36546 1 . THR 81 81 36546 1 . GLY 82 82 36546 1 . THR 83 83 36546 1 . PRO 84 84 36546 1 . ASN 85 85 36546 1 . ALA 86 86 36546 1 . ARG 87 87 36546 1 . GLU 88 88 36546 1 . ASN 89 89 36546 1 . CYS 90 90 36546 1 . ASP 91 91 36546 1 . MET 92 92 36546 1 . ILE 93 93 36546 1 . THR 94 94 36546 1 . ASN 95 95 36546 1 . GLU 96 96 36546 1 . LEU 97 97 36546 1 . ARG 98 98 36546 1 . ASN 99 99 36546 1 . ALA 100 100 36546 1 . ILE 101 101 36546 1 . GLN 102 102 36546 1 . ARG 103 103 36546 1 . GLN 104 104 36546 1 . ARG 105 105 36546 1 . GLU 106 106 36546 1 . GLY 107 107 36546 1 . SER 108 108 36546 1 . GLN 109 109 36546 1 . SER 110 110 36546 1 . LYS 111 111 36546 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36546 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . . Fungi Schizosaccharomyces pombe . . . . . . . . . . . 'tfb1, SPAC16E8.11c' . 36546 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 36546 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36546 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36546 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-15N] Tfb1, 90% H2O/10% D2O' _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 Tfb1' [U-15N] 1 $assembly 1 $entity_1 . protein 0.9 . . mM . . . . 36546 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36546 1 3 d-DTT [U-2H] . . . . . 'reducing agent' 5 . . mM . . . . 36546 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36546 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36546 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36546 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-13C; U-15N] Tfb1, 90% H2O/10% D2O' _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 Tfb1' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 0.9 . . mM . . . . 36546 2 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36546 2 3 d-DTT [U-2H] . . . . . 'reducing agent' 5 . . mM . . . . 36546 2 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36546 2 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36546 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36546 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-13C; U-15N] Tfb1, 100% D2O' _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 Tfb1' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 0.9 . . mM . . . . 36546 3 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36546 3 3 d-DTT [U-2H] . . . . . 'reducing agent' 5 . . mM . . . . 36546 3 4 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36546 3 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 36546 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 36546 1 pH 6.8 . pH 36546 1 pressure 1 . bar 36546 1 temperature 298 . K 36546 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36546 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36546 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36546 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36546 _Software.ID 2 _Software.Type . _Software.Name MAGRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, Iwahara, Koshiba, Tomizawa, Tochio, Guntert, Kigawa, Yokoyama' . . 36546 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36546 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36546 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, Iwahara, Koshiba, Tomizawa, Tochio, Guntert, Kigawa, Yokoyama' . . 36546 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36546 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36546 _Software.ID 4 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, Blevins' . . 36546 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36546 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36546 _Software.ID 5 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, Blevins' . . 36546 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36546 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36546 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36546 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36546 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 950 . . . 36546 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 600 . . . 36546 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36546 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36546 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36546 1 3 '2D 1H-13C HSQC aromatic' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36546 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 5 '3D HNCACB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 6 '3D HN(CO)CA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 7 '3D HNCA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 8 '3D HNCO' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 9 '3D HN(CA)CO' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 10 '3D HBHA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 11 '3D HBHANH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 12 '3D C(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 13 '3D H(CCO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 14 '3D HN(CO)HB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 15 '3D HNHB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 16 '3D HN(CO)CG' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 17 '3D HNCG' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36546 1 18 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36546 1 19 '3D 1H-13C NOESY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36546 1 20 '3D 1H-13C NOESY aromatic' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36546 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 36546 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 external indirect 0.251449530 . . . . . 36546 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 36546 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.101329118 . . . . . 36546 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36546 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36546 1 2 '2D 1H-13C HSQC' 3 $sample_3 isotropic 36546 1 3 '2D 1H-13C HSQC aromatic' 3 $sample_3 isotropic 36546 1 4 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36546 1 5 '3D HNCACB' 2 $sample_2 isotropic 36546 1 6 '3D HN(CO)CA' 2 $sample_2 isotropic 36546 1 7 '3D HNCA' 2 $sample_2 isotropic 36546 1 8 '3D HNCO' 2 $sample_2 isotropic 36546 1 9 '3D HN(CA)CO' 2 $sample_2 isotropic 36546 1 10 '3D HBHA(CO)NH' 2 $sample_2 isotropic 36546 1 11 '3D HBHANH' 2 $sample_2 isotropic 36546 1 12 '3D C(CO)NH' 2 $sample_2 isotropic 36546 1 13 '3D H(CCO)NH' 2 $sample_2 isotropic 36546 1 14 '3D HN(CO)HB' 2 $sample_2 isotropic 36546 1 15 '3D HNHB' 2 $sample_2 isotropic 36546 1 16 '3D HN(CO)CG' 2 $sample_2 isotropic 36546 1 17 '3D HNCG' 2 $sample_2 isotropic 36546 1 18 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36546 1 19 '3D 1H-13C NOESY' 3 $sample_3 isotropic 36546 1 20 '3D 1H-13C NOESY aromatic' 3 $sample_3 isotropic 36546 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 MET HA H 1 4.5100 0.0000 . 1 . . . . A 1 MET HA . 36546 1 2 . 1 . 1 4 4 MET HB2 H 1 1.8970 0.0000 . 2 . . . . A 1 MET HB2 . 36546 1 3 . 1 . 1 4 4 MET HB3 H 1 2.0260 0.0000 . 2 . . . . A 1 MET HB3 . 36546 1 4 . 1 . 1 4 4 MET HG2 H 1 2.4000 0.0000 . 2 . . . . A 1 MET HG2 . 36546 1 5 . 1 . 1 4 4 MET HG3 H 1 2.4790 0.0000 . 2 . . . . A 1 MET HG3 . 36546 1 6 . 1 . 1 4 4 MET HE1 H 1 2.0250 0.0000 . 1 . . . . A 1 MET HE1 . 36546 1 7 . 1 . 1 4 4 MET HE2 H 1 2.0250 0.0000 . 1 . . . . A 1 MET HE2 . 36546 1 8 . 1 . 1 4 4 MET HE3 H 1 2.0250 0.0000 . 1 . . . . A 1 MET HE3 . 36546 1 9 . 1 . 1 4 4 MET C C 13 176.4750 0.0000 . 1 . . . . A 1 MET C . 36546 1 10 . 1 . 1 4 4 MET CA C 13 55.6800 0.0000 . 1 . . . . A 1 MET CA . 36546 1 11 . 1 . 1 4 4 MET CB C 13 32.6210 0.0000 . 1 . . . . A 1 MET CB . 36546 1 12 . 1 . 1 4 4 MET CG C 13 32.6490 0.0000 . 1 . . . . A 1 MET CG . 36546 1 13 . 1 . 1 4 4 MET CE C 13 16.5510 0.0000 . 1 . . . . A 1 MET CE . 36546 1 14 . 1 . 1 4 4 MET N N 15 123.6100 0.0000 . 1 . . . . A 1 MET N . 36546 1 15 . 1 . 1 5 5 GLY H H 1 8.4290 0.0000 . 1 . . . . A 2 GLY H . 36546 1 16 . 1 . 1 5 5 GLY HA2 H 1 3.9650 0.0000 . 2 . . . . A 2 GLY HA2 . 36546 1 17 . 1 . 1 5 5 GLY HA3 H 1 4.0690 0.0000 . 2 . . . . A 2 GLY HA3 . 36546 1 18 . 1 . 1 5 5 GLY C C 13 173.7640 0.0000 . 1 . . . . A 2 GLY C . 36546 1 19 . 1 . 1 5 5 GLY CA C 13 45.2690 0.0000 . 1 . . . . A 2 GLY CA . 36546 1 20 . 1 . 1 5 5 GLY N N 15 111.9610 0.0000 . 1 . . . . A 2 GLY N . 36546 1 21 . 1 . 1 6 6 ASP H H 1 8.2530 0.0000 . 1 . . . . A 3 ASP H . 36546 1 22 . 1 . 1 6 6 ASP HA H 1 4.6740 0.0000 . 1 . . . . A 3 ASP HA . 36546 1 23 . 1 . 1 6 6 ASP HB2 H 1 2.5420 0.0000 . 2 . . . . A 3 ASP HB2 . 36546 1 24 . 1 . 1 6 6 ASP HB3 H 1 2.6260 0.0000 . 2 . . . . A 3 ASP HB3 . 36546 1 25 . 1 . 1 6 6 ASP C C 13 175.5550 0.0000 . 1 . . . . A 3 ASP C . 36546 1 26 . 1 . 1 6 6 ASP CA C 13 54.4240 0.0000 . 1 . . . . A 3 ASP CA . 36546 1 27 . 1 . 1 6 6 ASP CB C 13 41.3940 0.0000 . 1 . . . . A 3 ASP CB . 36546 1 28 . 1 . 1 6 6 ASP N N 15 121.9180 0.0000 . 1 . . . . A 3 ASP N . 36546 1 29 . 1 . 1 7 7 ARG H H 1 8.1460 0.0000 . 1 . . . . A 4 ARG H . 36546 1 30 . 1 . 1 7 7 ARG HA H 1 4.8390 0.0000 . 1 . . . . A 4 ARG HA . 36546 1 31 . 1 . 1 7 7 ARG HB2 H 1 1.7130 0.0000 . 2 . . . . A 4 ARG HB2 . 36546 1 32 . 1 . 1 7 7 ARG HB3 H 1 1.7280 0.0000 . 2 . . . . A 4 ARG HB3 . 36546 1 33 . 1 . 1 7 7 ARG HG2 H 1 1.3760 0.0000 . 2 . . . . A 4 ARG HG2 . 36546 1 34 . 1 . 1 7 7 ARG HG3 H 1 1.4410 0.0000 . 2 . . . . A 4 ARG HG3 . 36546 1 35 . 1 . 1 7 7 ARG HD3 H 1 3.0830 0.0000 . 2 . . . . A 4 ARG HD3 . 36546 1 36 . 1 . 1 7 7 ARG HE H 1 7.4070 0.0000 . 1 . . . . A 4 ARG HE . 36546 1 37 . 1 . 1 7 7 ARG C C 13 175.5140 0.0000 . 1 . . . . A 4 ARG C . 36546 1 38 . 1 . 1 7 7 ARG CA C 13 55.7480 0.0000 . 1 . . . . A 4 ARG CA . 36546 1 39 . 1 . 1 7 7 ARG CB C 13 31.9620 0.0000 . 1 . . . . A 4 ARG CB . 36546 1 40 . 1 . 1 7 7 ARG CG C 13 27.1150 0.0000 . 1 . . . . A 4 ARG CG . 36546 1 41 . 1 . 1 7 7 ARG CD C 13 43.7170 0.0000 . 1 . . . . A 4 ARG CD . 36546 1 42 . 1 . 1 7 7 ARG N N 15 121.4250 0.0000 . 1 . . . . A 4 ARG N . 36546 1 43 . 1 . 1 7 7 ARG NE N 15 85.9450 0.0000 . 1 . . . . A 4 ARG NE . 36546 1 44 . 1 . 1 8 8 VAL H H 1 8.4290 0.0000 . 1 . . . . A 5 VAL H . 36546 1 45 . 1 . 1 8 8 VAL HA H 1 4.4420 0.0000 . 1 . . . . A 5 VAL HA . 36546 1 46 . 1 . 1 8 8 VAL HB H 1 2.0070 0.0000 . 1 . . . . A 5 VAL HB . 36546 1 47 . 1 . 1 8 8 VAL HG11 H 1 0.8350 0.0000 . 1 . . . . A 5 VAL HG11 . 36546 1 48 . 1 . 1 8 8 VAL HG12 H 1 0.8350 0.0000 . 1 . . . . A 5 VAL HG12 . 36546 1 49 . 1 . 1 8 8 VAL HG13 H 1 0.8350 0.0000 . 1 . . . . A 5 VAL HG13 . 36546 1 50 . 1 . 1 8 8 VAL HG21 H 1 0.8500 0.0000 . 1 . . . . A 5 VAL HG21 . 36546 1 51 . 1 . 1 8 8 VAL HG22 H 1 0.8500 0.0000 . 1 . . . . A 5 VAL HG22 . 36546 1 52 . 1 . 1 8 8 VAL HG23 H 1 0.8500 0.0000 . 1 . . . . A 5 VAL HG23 . 36546 1 53 . 1 . 1 8 8 VAL C C 13 174.0780 0.0000 . 1 . . . . A 5 VAL C . 36546 1 54 . 1 . 1 8 8 VAL CA C 13 61.4560 0.0000 . 1 . . . . A 5 VAL CA . 36546 1 55 . 1 . 1 8 8 VAL CB C 13 33.6920 0.0000 . 1 . . . . A 5 VAL CB . 36546 1 56 . 1 . 1 8 8 VAL CG1 C 13 21.5820 0.0000 . 1 . . . . A 5 VAL CG1 . 36546 1 57 . 1 . 1 8 8 VAL CG2 C 13 20.5750 0.0000 . 1 . . . . A 5 VAL CG2 . 36546 1 58 . 1 . 1 8 8 VAL N N 15 124.9250 0.0000 . 1 . . . . A 5 VAL N . 36546 1 59 . 1 . 1 9 9 GLU H H 1 8.3620 0.0000 . 1 . . . . A 6 GLU H . 36546 1 60 . 1 . 1 9 9 GLU HA H 1 5.6370 0.0000 . 1 . . . . A 6 GLU HA . 36546 1 61 . 1 . 1 9 9 GLU HB2 H 1 1.6880 0.0000 . 1 . . . . A 6 GLU HB2 . 36546 1 62 . 1 . 1 9 9 GLU HB3 H 1 1.7510 0.0000 . 1 . . . . A 6 GLU HB3 . 36546 1 63 . 1 . 1 9 9 GLU HG2 H 1 1.9100 0.0000 . 2 . . . . A 6 GLU HG2 . 36546 1 64 . 1 . 1 9 9 GLU HG3 H 1 1.9820 0.0000 . 2 . . . . A 6 GLU HG3 . 36546 1 65 . 1 . 1 9 9 GLU C C 13 174.7350 0.0000 . 1 . . . . A 6 GLU C . 36546 1 66 . 1 . 1 9 9 GLU CA C 13 54.1270 0.0000 . 1 . . . . A 6 GLU CA . 36546 1 67 . 1 . 1 9 9 GLU CB C 13 33.7740 0.0000 . 1 . . . . A 6 GLU CB . 36546 1 68 . 1 . 1 9 9 GLU CG C 13 35.6680 0.0000 . 1 . . . . A 6 GLU CG . 36546 1 69 . 1 . 1 9 9 GLU N N 15 123.1420 0.0000 . 1 . . . . A 6 GLU N . 36546 1 70 . 1 . 1 10 10 ALA H H 1 8.9450 0.0000 . 1 . . . . A 7 ALA H . 36546 1 71 . 1 . 1 10 10 ALA HA H 1 4.7100 0.0000 . 1 . . . . A 7 ALA HA . 36546 1 72 . 1 . 1 10 10 ALA HB1 H 1 1.3940 0.0000 . 1 . . . . A 7 ALA HB1 . 36546 1 73 . 1 . 1 10 10 ALA HB2 H 1 1.3940 0.0000 . 1 . . . . A 7 ALA HB2 . 36546 1 74 . 1 . 1 10 10 ALA HB3 H 1 1.3940 0.0000 . 1 . . . . A 7 ALA HB3 . 36546 1 75 . 1 . 1 10 10 ALA C C 13 175.3020 0.0000 . 1 . . . . A 7 ALA C . 36546 1 76 . 1 . 1 10 10 ALA CA C 13 51.5470 0.0000 . 1 . . . . A 7 ALA CA . 36546 1 77 . 1 . 1 10 10 ALA CB C 13 23.5590 0.0000 . 1 . . . . A 7 ALA CB . 36546 1 78 . 1 . 1 10 10 ALA N N 15 121.2610 0.0000 . 1 . . . . A 7 ALA N . 36546 1 79 . 1 . 1 11 11 LEU H H 1 8.5520 0.0000 . 1 . . . . A 8 LEU H . 36546 1 80 . 1 . 1 11 11 LEU HA H 1 4.9140 0.0000 . 1 . . . . A 8 LEU HA . 36546 1 81 . 1 . 1 11 11 LEU HB2 H 1 1.5440 0.0000 . 1 . . . . A 8 LEU HB2 . 36546 1 82 . 1 . 1 11 11 LEU HB3 H 1 1.7450 0.0000 . 1 . . . . A 8 LEU HB3 . 36546 1 83 . 1 . 1 11 11 LEU HG H 1 1.7000 0.0000 . 1 . . . . A 8 LEU HG . 36546 1 84 . 1 . 1 11 11 LEU HD11 H 1 0.8700 0.0000 . 1 . . . . A 8 LEU HD11 . 36546 1 85 . 1 . 1 11 11 LEU HD12 H 1 0.8700 0.0000 . 1 . . . . A 8 LEU HD12 . 36546 1 86 . 1 . 1 11 11 LEU HD13 H 1 0.8700 0.0000 . 1 . . . . A 8 LEU HD13 . 36546 1 87 . 1 . 1 11 11 LEU HD21 H 1 0.9530 0.0000 . 1 . . . . A 8 LEU HD21 . 36546 1 88 . 1 . 1 11 11 LEU HD22 H 1 0.9530 0.0000 . 1 . . . . A 8 LEU HD22 . 36546 1 89 . 1 . 1 11 11 LEU HD23 H 1 0.9530 0.0000 . 1 . . . . A 8 LEU HD23 . 36546 1 90 . 1 . 1 11 11 LEU C C 13 176.1820 0.0000 . 1 . . . . A 8 LEU C . 36546 1 91 . 1 . 1 11 11 LEU CA C 13 55.5880 0.0000 . 1 . . . . A 8 LEU CA . 36546 1 92 . 1 . 1 11 11 LEU CB C 13 42.9590 0.0000 . 1 . . . . A 8 LEU CB . 36546 1 93 . 1 . 1 11 11 LEU CG C 13 27.6180 0.0000 . 1 . . . . A 8 LEU CG . 36546 1 94 . 1 . 1 11 11 LEU CD1 C 13 24.0970 0.0000 . 1 . . . . A 8 LEU CD1 . 36546 1 95 . 1 . 1 11 11 LEU CD2 C 13 25.1030 0.0000 . 1 . . . . A 8 LEU CD2 . 36546 1 96 . 1 . 1 11 11 LEU N N 15 124.3690 0.0000 . 1 . . . . A 8 LEU N . 36546 1 97 . 1 . 1 12 12 ALA H H 1 8.8560 0.0000 . 1 . . . . A 9 ALA H . 36546 1 98 . 1 . 1 12 12 ALA HA H 1 4.4930 0.0000 . 1 . . . . A 9 ALA HA . 36546 1 99 . 1 . 1 12 12 ALA HB1 H 1 0.8740 0.0000 . 1 . . . . A 9 ALA HB1 . 36546 1 100 . 1 . 1 12 12 ALA HB2 H 1 0.8740 0.0000 . 1 . . . . A 9 ALA HB2 . 36546 1 101 . 1 . 1 12 12 ALA HB3 H 1 0.8740 0.0000 . 1 . . . . A 9 ALA HB3 . 36546 1 102 . 1 . 1 12 12 ALA C C 13 176.5960 0.0000 . 1 . . . . A 9 ALA C . 36546 1 103 . 1 . 1 12 12 ALA CA C 13 51.6840 0.0000 . 1 . . . . A 9 ALA CA . 36546 1 104 . 1 . 1 12 12 ALA CB C 13 23.4350 0.0000 . 1 . . . . A 9 ALA CB . 36546 1 105 . 1 . 1 12 12 ALA N N 15 122.7610 0.0000 . 1 . . . . A 9 ALA N . 36546 1 106 . 1 . 1 13 13 ILE H H 1 9.6270 0.0000 . 1 . . . . A 10 ILE H . 36546 1 107 . 1 . 1 13 13 ILE HA H 1 5.1540 0.0000 . 1 . . . . A 10 ILE HA . 36546 1 108 . 1 . 1 13 13 ILE HB H 1 1.7780 0.0000 . 1 . . . . A 10 ILE HB . 36546 1 109 . 1 . 1 13 13 ILE HG12 H 1 1.0570 0.0000 . 2 . . . . A 10 ILE HG12 . 36546 1 110 . 1 . 1 13 13 ILE HG13 H 1 1.3040 0.0000 . 2 . . . . A 10 ILE HG13 . 36546 1 111 . 1 . 1 13 13 ILE HG21 H 1 0.6110 0.0000 . 1 . . . . A 10 ILE HG21 . 36546 1 112 . 1 . 1 13 13 ILE HG22 H 1 0.6110 0.0000 . 1 . . . . A 10 ILE HG22 . 36546 1 113 . 1 . 1 13 13 ILE HG23 H 1 0.6110 0.0000 . 1 . . . . A 10 ILE HG23 . 36546 1 114 . 1 . 1 13 13 ILE HD11 H 1 0.7780 0.0000 . 1 . . . . A 10 ILE HD11 . 36546 1 115 . 1 . 1 13 13 ILE HD12 H 1 0.7780 0.0000 . 1 . . . . A 10 ILE HD12 . 36546 1 116 . 1 . 1 13 13 ILE HD13 H 1 0.7780 0.0000 . 1 . . . . A 10 ILE HD13 . 36546 1 117 . 1 . 1 13 13 ILE C C 13 174.9380 0.0000 . 1 . . . . A 10 ILE C . 36546 1 118 . 1 . 1 13 13 ILE CA C 13 60.3370 0.0000 . 1 . . . . A 10 ILE CA . 36546 1 119 . 1 . 1 13 13 ILE CB C 13 38.9640 0.0000 . 1 . . . . A 10 ILE CB . 36546 1 120 . 1 . 1 13 13 ILE CG1 C 13 30.1340 0.0000 . 1 . . . . A 10 ILE CG1 . 36546 1 121 . 1 . 1 13 13 ILE CG2 C 13 17.5570 0.0000 . 1 . . . . A 10 ILE CG2 . 36546 1 122 . 1 . 1 13 13 ILE CD1 C 13 14.0360 0.0000 . 1 . . . . A 10 ILE CD1 . 36546 1 123 . 1 . 1 13 13 ILE N N 15 127.8370 0.0000 . 1 . . . . A 10 ILE N . 36546 1 124 . 1 . 1 14 14 PHE H H 1 8.8280 0.0000 . 1 . . . . A 11 PHE H . 36546 1 125 . 1 . 1 14 14 PHE HA H 1 4.7680 0.0000 . 1 . . . . A 11 PHE HA . 36546 1 126 . 1 . 1 14 14 PHE HB2 H 1 1.3990 0.0000 . 1 . . . . A 11 PHE HB2 . 36546 1 127 . 1 . 1 14 14 PHE HB3 H 1 0.6200 0.0000 . 1 . . . . A 11 PHE HB3 . 36546 1 128 . 1 . 1 14 14 PHE HD1 H 1 6.2190 0.0000 . 3 . . . . A 11 PHE HD1 . 36546 1 129 . 1 . 1 14 14 PHE HE1 H 1 6.7630 0.0000 . 3 . . . . A 11 PHE HE1 . 36546 1 130 . 1 . 1 14 14 PHE HZ H 1 6.8720 0.0000 . 1 . . . . A 11 PHE HZ . 36546 1 131 . 1 . 1 14 14 PHE C C 13 174.5630 0.0000 . 1 . . . . A 11 PHE C . 36546 1 132 . 1 . 1 14 14 PHE CA C 13 55.7480 0.0000 . 1 . . . . A 11 PHE CA . 36546 1 133 . 1 . 1 14 14 PHE CB C 13 39.8700 0.0000 . 1 . . . . A 11 PHE CB . 36546 1 134 . 1 . 1 14 14 PHE CD1 C 13 132.2060 0.0000 . 3 . . . . A 11 PHE CD1 . 36546 1 135 . 1 . 1 14 14 PHE CE1 C 13 130.5520 0.0000 . 3 . . . . A 11 PHE CE1 . 36546 1 136 . 1 . 1 14 14 PHE CZ C 13 129.2960 0.0000 . 1 . . . . A 11 PHE CZ . 36546 1 137 . 1 . 1 14 14 PHE N N 15 129.2460 0.0000 . 1 . . . . A 11 PHE N . 36546 1 138 . 1 . 1 15 15 ARG H H 1 9.2280 0.0000 . 1 . . . . A 12 ARG H . 36546 1 139 . 1 . 1 15 15 ARG HA H 1 3.4370 0.0000 . 1 . . . . A 12 ARG HA . 36546 1 140 . 1 . 1 15 15 ARG HB2 H 1 1.0550 0.0000 . 1 . . . . A 12 ARG HB2 . 36546 1 141 . 1 . 1 15 15 ARG HB3 H 1 1.3690 0.0000 . 1 . . . . A 12 ARG HB3 . 36546 1 142 . 1 . 1 15 15 ARG HG3 H 1 0.6620 0.0000 . 2 . . . . A 12 ARG HG3 . 36546 1 143 . 1 . 1 15 15 ARG HD2 H 1 2.5510 0.0000 . 2 . . . . A 12 ARG HD2 . 36546 1 144 . 1 . 1 15 15 ARG HD3 H 1 2.6070 0.0000 . 2 . . . . A 12 ARG HD3 . 36546 1 145 . 1 . 1 15 15 ARG C C 13 175.5550 0.0000 . 1 . . . . A 12 ARG C . 36546 1 146 . 1 . 1 15 15 ARG CA C 13 57.1860 0.0000 . 1 . . . . A 12 ARG CA . 36546 1 147 . 1 . 1 15 15 ARG CB C 13 27.1010 0.0000 . 1 . . . . A 12 ARG CB . 36546 1 148 . 1 . 1 15 15 ARG CG C 13 26.1090 0.0000 . 1 . . . . A 12 ARG CG . 36546 1 149 . 1 . 1 15 15 ARG CD C 13 43.7170 0.0000 . 1 . . . . A 12 ARG CD . 36546 1 150 . 1 . 1 15 15 ARG N N 15 129.0570 0.0000 . 1 . . . . A 12 ARG N . 36546 1 151 . 1 . 1 16 16 LYS H H 1 8.3670 0.0000 . 1 . . . . A 13 LYS H . 36546 1 152 . 1 . 1 16 16 LYS HA H 1 3.4390 0.0000 . 1 . . . . A 13 LYS HA . 36546 1 153 . 1 . 1 16 16 LYS HB2 H 1 2.0640 0.0000 . 1 . . . . A 13 LYS HB2 . 36546 1 154 . 1 . 1 16 16 LYS HB3 H 1 1.8740 0.0000 . 1 . . . . A 13 LYS HB3 . 36546 1 155 . 1 . 1 16 16 LYS HG2 H 1 1.1000 0.0000 . 2 . . . . A 13 LYS HG2 . 36546 1 156 . 1 . 1 16 16 LYS HG3 H 1 1.1100 0.0000 . 2 . . . . A 13 LYS HG3 . 36546 1 157 . 1 . 1 16 16 LYS HD2 H 1 1.4720 0.0000 . 2 . . . . A 13 LYS HD2 . 36546 1 158 . 1 . 1 16 16 LYS HD3 H 1 1.5290 0.0000 . 2 . . . . A 13 LYS HD3 . 36546 1 159 . 1 . 1 16 16 LYS HE3 H 1 2.8120 0.0000 . 2 . . . . A 13 LYS HE3 . 36546 1 160 . 1 . 1 16 16 LYS C C 13 175.4940 0.0000 . 1 . . . . A 13 LYS C . 36546 1 161 . 1 . 1 16 16 LYS CA C 13 58.3960 0.0000 . 1 . . . . A 13 LYS CA . 36546 1 162 . 1 . 1 16 16 LYS CB C 13 30.1080 0.0000 . 1 . . . . A 13 LYS CB . 36546 1 163 . 1 . 1 16 16 LYS CG C 13 25.6060 0.0000 . 1 . . . . A 13 LYS CG . 36546 1 164 . 1 . 1 16 16 LYS CD C 13 29.1280 0.0000 . 1 . . . . A 13 LYS CD . 36546 1 165 . 1 . 1 16 16 LYS CE C 13 42.2080 0.0000 . 1 . . . . A 13 LYS CE . 36546 1 166 . 1 . 1 16 16 LYS N N 15 107.9350 0.0000 . 1 . . . . A 13 LYS N . 36546 1 167 . 1 . 1 17 17 LYS H H 1 7.8050 0.0000 . 1 . . . . A 14 LYS H . 36546 1 168 . 1 . 1 17 17 LYS HA H 1 4.9100 0.0000 . 1 . . . . A 14 LYS HA . 36546 1 169 . 1 . 1 17 17 LYS HB2 H 1 2.1620 0.0000 . 1 . . . . A 14 LYS HB2 . 36546 1 170 . 1 . 1 17 17 LYS HB3 H 1 2.2480 0.0000 . 1 . . . . A 14 LYS HB3 . 36546 1 171 . 1 . 1 17 17 LYS HG2 H 1 1.5300 0.0000 . 2 . . . . A 14 LYS HG2 . 36546 1 172 . 1 . 1 17 17 LYS HG3 H 1 1.6510 0.0000 . 2 . . . . A 14 LYS HG3 . 36546 1 173 . 1 . 1 17 17 LYS HD2 H 1 1.8210 0.0000 . 2 . . . . A 14 LYS HD2 . 36546 1 174 . 1 . 1 17 17 LYS HD3 H 1 1.8470 0.0000 . 2 . . . . A 14 LYS HD3 . 36546 1 175 . 1 . 1 17 17 LYS HE2 H 1 3.0440 0.0000 . 2 . . . . A 14 LYS HE2 . 36546 1 176 . 1 . 1 17 17 LYS HE3 H 1 3.1030 0.0000 . 2 . . . . A 14 LYS HE3 . 36546 1 177 . 1 . 1 17 17 LYS C C 13 175.1300 0.0000 . 1 . . . . A 14 LYS C . 36546 1 178 . 1 . 1 17 17 LYS CA C 13 54.4010 0.0000 . 1 . . . . A 14 LYS CA . 36546 1 179 . 1 . 1 17 17 LYS CB C 13 35.0920 0.0000 . 1 . . . . A 14 LYS CB . 36546 1 180 . 1 . 1 17 17 LYS CG C 13 24.6000 0.0000 . 1 . . . . A 14 LYS CG . 36546 1 181 . 1 . 1 17 17 LYS CD C 13 28.6250 0.0000 . 1 . . . . A 14 LYS CD . 36546 1 182 . 1 . 1 17 17 LYS CE C 13 42.2080 0.0000 . 1 . . . . A 14 LYS CE . 36546 1 183 . 1 . 1 17 17 LYS N N 15 122.3910 0.0000 . 1 . . . . A 14 LYS N . 36546 1 184 . 1 . 1 18 18 GLN H H 1 9.0160 0.0000 . 1 . . . . A 15 GLN H . 36546 1 185 . 1 . 1 18 18 GLN HA H 1 4.6370 0.0000 . 1 . . . . A 15 GLN HA . 36546 1 186 . 1 . 1 18 18 GLN HB2 H 1 2.1070 0.0000 . 1 . . . . A 15 GLN HB2 . 36546 1 187 . 1 . 1 18 18 GLN HB3 H 1 2.0470 0.0000 . 1 . . . . A 15 GLN HB3 . 36546 1 188 . 1 . 1 18 18 GLN HG2 H 1 2.2610 0.0000 . 2 . . . . A 15 GLN HG2 . 36546 1 189 . 1 . 1 18 18 GLN HG3 H 1 2.3330 0.0000 . 2 . . . . A 15 GLN HG3 . 36546 1 190 . 1 . 1 18 18 GLN HE21 H 1 7.7130 0.0000 . 2 . . . . A 15 GLN HE21 . 36546 1 191 . 1 . 1 18 18 GLN HE22 H 1 6.6900 0.0000 . 2 . . . . A 15 GLN HE22 . 36546 1 192 . 1 . 1 18 18 GLN C C 13 176.2220 0.0000 . 1 . . . . A 15 GLN C . 36546 1 193 . 1 . 1 18 18 GLN CA C 13 57.1640 0.0000 . 1 . . . . A 15 GLN CA . 36546 1 194 . 1 . 1 18 18 GLN CB C 13 30.2730 0.0000 . 1 . . . . A 15 GLN CB . 36546 1 195 . 1 . 1 18 18 GLN CG C 13 35.1650 0.0000 . 1 . . . . A 15 GLN CG . 36546 1 196 . 1 . 1 18 18 GLN N N 15 122.7560 0.0000 . 1 . . . . A 15 GLN N . 36546 1 197 . 1 . 1 18 18 GLN NE2 N 15 113.2810 0.0000 . 1 . . . . A 15 GLN NE2 . 36546 1 198 . 1 . 1 19 19 GLY H H 1 8.3150 0.0000 . 1 . . . . A 16 GLY H . 36546 1 199 . 1 . 1 19 19 GLY HA2 H 1 3.7000 0.0000 . 2 . . . . A 16 GLY HA2 . 36546 1 200 . 1 . 1 19 19 GLY HA3 H 1 4.0800 0.0000 . 2 . . . . A 16 GLY HA3 . 36546 1 201 . 1 . 1 19 19 GLY C C 13 170.6800 0.0000 . 1 . . . . A 16 GLY C . 36546 1 202 . 1 . 1 19 19 GLY CA C 13 46.0220 0.0000 . 1 . . . . A 16 GLY CA . 36546 1 203 . 1 . 1 19 19 GLY N N 15 114.1710 0.0000 . 1 . . . . A 16 GLY N . 36546 1 204 . 1 . 1 20 20 VAL H H 1 7.9640 0.0000 . 1 . . . . A 17 VAL H . 36546 1 205 . 1 . 1 20 20 VAL HA H 1 4.4670 0.0000 . 1 . . . . A 17 VAL HA . 36546 1 206 . 1 . 1 20 20 VAL HB H 1 1.5520 0.0000 . 1 . . . . A 17 VAL HB . 36546 1 207 . 1 . 1 20 20 VAL HG11 H 1 0.5970 0.0000 . 1 . . . . A 17 VAL HG11 . 36546 1 208 . 1 . 1 20 20 VAL HG12 H 1 0.5970 0.0000 . 1 . . . . A 17 VAL HG12 . 36546 1 209 . 1 . 1 20 20 VAL HG13 H 1 0.5970 0.0000 . 1 . . . . A 17 VAL HG13 . 36546 1 210 . 1 . 1 20 20 VAL HG21 H 1 0.7090 0.0000 . 1 . . . . A 17 VAL HG21 . 36546 1 211 . 1 . 1 20 20 VAL HG22 H 1 0.7090 0.0000 . 1 . . . . A 17 VAL HG22 . 36546 1 212 . 1 . 1 20 20 VAL HG23 H 1 0.7090 0.0000 . 1 . . . . A 17 VAL HG23 . 36546 1 213 . 1 . 1 20 20 VAL C C 13 175.3730 0.0000 . 1 . . . . A 17 VAL C . 36546 1 214 . 1 . 1 20 20 VAL CA C 13 61.4100 0.0000 . 1 . . . . A 17 VAL CA . 36546 1 215 . 1 . 1 20 20 VAL CB C 13 34.9270 0.0000 . 1 . . . . A 17 VAL CB . 36546 1 216 . 1 . 1 20 20 VAL CG1 C 13 21.0780 0.0000 . 1 . . . . A 17 VAL CG1 . 36546 1 217 . 1 . 1 20 20 VAL CG2 C 13 21.5820 0.0000 . 1 . . . . A 17 VAL CG2 . 36546 1 218 . 1 . 1 20 20 VAL N N 15 120.5900 0.0000 . 1 . . . . A 17 VAL N . 36546 1 219 . 1 . 1 21 21 LEU H H 1 9.4860 0.0000 . 1 . . . . A 18 LEU H . 36546 1 220 . 1 . 1 21 21 LEU HA H 1 5.2280 0.0000 . 1 . . . . A 18 LEU HA . 36546 1 221 . 1 . 1 21 21 LEU HB2 H 1 1.0960 0.0000 . 1 . . . . A 18 LEU HB2 . 36546 1 222 . 1 . 1 21 21 LEU HB3 H 1 1.8910 0.0000 . 1 . . . . A 18 LEU HB3 . 36546 1 223 . 1 . 1 21 21 LEU HG H 1 1.2050 0.0000 . 1 . . . . A 18 LEU HG . 36546 1 224 . 1 . 1 21 21 LEU HD11 H 1 0.0920 0.0000 . 1 . . . . A 18 LEU HD11 . 36546 1 225 . 1 . 1 21 21 LEU HD12 H 1 0.0920 0.0000 . 1 . . . . A 18 LEU HD12 . 36546 1 226 . 1 . 1 21 21 LEU HD13 H 1 0.0920 0.0000 . 1 . . . . A 18 LEU HD13 . 36546 1 227 . 1 . 1 21 21 LEU HD21 H 1 0.4340 0.0000 . 1 . . . . A 18 LEU HD21 . 36546 1 228 . 1 . 1 21 21 LEU HD22 H 1 0.4340 0.0000 . 1 . . . . A 18 LEU HD22 . 36546 1 229 . 1 . 1 21 21 LEU HD23 H 1 0.4340 0.0000 . 1 . . . . A 18 LEU HD23 . 36546 1 230 . 1 . 1 21 21 LEU C C 13 174.1180 0.0000 . 1 . . . . A 18 LEU C . 36546 1 231 . 1 . 1 21 21 LEU CA C 13 53.3970 0.0000 . 1 . . . . A 18 LEU CA . 36546 1 232 . 1 . 1 21 21 LEU CB C 13 45.5540 0.0000 . 1 . . . . A 18 LEU CB . 36546 1 233 . 1 . 1 21 21 LEU CG C 13 27.1150 0.0000 . 1 . . . . A 18 LEU CG . 36546 1 234 . 1 . 1 21 21 LEU CD1 C 13 23.5940 0.0000 . 1 . . . . A 18 LEU CD1 . 36546 1 235 . 1 . 1 21 21 LEU CD2 C 13 26.6120 0.0000 . 1 . . . . A 18 LEU CD2 . 36546 1 236 . 1 . 1 21 21 LEU N N 15 135.5010 0.0000 . 1 . . . . A 18 LEU N . 36546 1 237 . 1 . 1 22 22 SER H H 1 9.8060 0.0000 . 1 . . . . A 19 SER H . 36546 1 238 . 1 . 1 22 22 SER HA H 1 5.5250 0.0000 . 1 . . . . A 19 SER HA . 36546 1 239 . 1 . 1 22 22 SER HB2 H 1 3.6370 0.0000 . 1 . . . . A 19 SER HB2 . 36546 1 240 . 1 . 1 22 22 SER HB3 H 1 3.4760 0.0000 . 1 . . . . A 19 SER HB3 . 36546 1 241 . 1 . 1 22 22 SER C C 13 172.9250 0.0000 . 1 . . . . A 19 SER C . 36546 1 242 . 1 . 1 22 22 SER CA C 13 56.2050 0.0000 . 1 . . . . A 19 SER CA . 36546 1 243 . 1 . 1 22 22 SER CB C 13 67.3430 0.0000 . 1 . . . . A 19 SER CB . 36546 1 244 . 1 . 1 22 22 SER N N 15 121.0740 0.0000 . 1 . . . . A 19 SER N . 36546 1 245 . 1 . 1 23 23 ILE H H 1 8.7590 0.0000 . 1 . . . . A 20 ILE H . 36546 1 246 . 1 . 1 23 23 ILE HA H 1 4.8620 0.0000 . 1 . . . . A 20 ILE HA . 36546 1 247 . 1 . 1 23 23 ILE HB H 1 1.8410 0.0000 . 1 . . . . A 20 ILE HB . 36546 1 248 . 1 . 1 23 23 ILE HG12 H 1 1.0750 0.0000 . 2 . . . . A 20 ILE HG12 . 36546 1 249 . 1 . 1 23 23 ILE HG13 H 1 1.4150 0.0000 . 2 . . . . A 20 ILE HG13 . 36546 1 250 . 1 . 1 23 23 ILE HG21 H 1 0.8940 0.0000 . 1 . . . . A 20 ILE HG21 . 36546 1 251 . 1 . 1 23 23 ILE HG22 H 1 0.8940 0.0000 . 1 . . . . A 20 ILE HG22 . 36546 1 252 . 1 . 1 23 23 ILE HG23 H 1 0.8940 0.0000 . 1 . . . . A 20 ILE HG23 . 36546 1 253 . 1 . 1 23 23 ILE HD11 H 1 0.7860 0.0000 . 1 . . . . A 20 ILE HD11 . 36546 1 254 . 1 . 1 23 23 ILE HD12 H 1 0.7860 0.0000 . 1 . . . . A 20 ILE HD12 . 36546 1 255 . 1 . 1 23 23 ILE HD13 H 1 0.7860 0.0000 . 1 . . . . A 20 ILE HD13 . 36546 1 256 . 1 . 1 23 23 ILE C C 13 175.3320 0.0000 . 1 . . . . A 20 ILE C . 36546 1 257 . 1 . 1 23 23 ILE CA C 13 59.9260 0.0000 . 1 . . . . A 20 ILE CA . 36546 1 258 . 1 . 1 23 23 ILE CB C 13 39.8700 0.0000 . 1 . . . . A 20 ILE CB . 36546 1 259 . 1 . 1 23 23 ILE CG1 C 13 27.6180 0.0000 . 1 . . . . A 20 ILE CG1 . 36546 1 260 . 1 . 1 23 23 ILE CG2 C 13 18.0600 0.0000 . 1 . . . . A 20 ILE CG2 . 36546 1 261 . 1 . 1 23 23 ILE CD1 C 13 15.0420 0.0000 . 1 . . . . A 20 ILE CD1 . 36546 1 262 . 1 . 1 23 23 ILE N N 15 122.6770 0.0000 . 1 . . . . A 20 ILE N . 36546 1 263 . 1 . 1 24 24 ASP H H 1 8.3410 0.0000 . 1 . . . . A 21 ASP H . 36546 1 264 . 1 . 1 24 24 ASP HA H 1 4.9200 0.0000 . 1 . . . . A 21 ASP HA . 36546 1 265 . 1 . 1 24 24 ASP HB2 H 1 2.7670 0.0000 . 1 . . . . A 21 ASP HB2 . 36546 1 266 . 1 . 1 24 24 ASP HB3 H 1 2.9930 0.0000 . 1 . . . . A 21 ASP HB3 . 36546 1 267 . 1 . 1 24 24 ASP C C 13 174.8770 0.0000 . 1 . . . . A 21 ASP C . 36546 1 268 . 1 . 1 24 24 ASP CA C 13 54.7660 0.0000 . 1 . . . . A 21 ASP CA . 36546 1 269 . 1 . 1 24 24 ASP CB C 13 40.5290 0.0000 . 1 . . . . A 21 ASP CB . 36546 1 270 . 1 . 1 24 24 ASP N N 15 127.6520 0.0000 . 1 . . . . A 21 ASP N . 36546 1 271 . 1 . 1 25 25 SER H H 1 9.7340 0.0000 . 1 . . . . A 22 SER H . 36546 1 272 . 1 . 1 25 25 SER HA H 1 4.6260 0.0000 . 1 . . . . A 22 SER HA . 36546 1 273 . 1 . 1 25 25 SER HB2 H 1 3.9670 0.0000 . 1 . . . . A 22 SER HB2 . 36546 1 274 . 1 . 1 25 25 SER HB3 H 1 3.8220 0.0000 . 1 . . . . A 22 SER HB3 . 36546 1 275 . 1 . 1 25 25 SER C C 13 173.2490 0.0000 . 1 . . . . A 22 SER C . 36546 1 276 . 1 . 1 25 25 SER CA C 13 59.6520 0.0000 . 1 . . . . A 22 SER CA . 36546 1 277 . 1 . 1 25 25 SER CB C 13 63.7600 0.0000 . 1 . . . . A 22 SER CB . 36546 1 278 . 1 . 1 25 25 SER N N 15 122.2020 0.0000 . 1 . . . . A 22 SER N . 36546 1 279 . 1 . 1 26 26 ARG H H 1 8.0230 0.0000 . 1 . . . . A 23 ARG H . 36546 1 280 . 1 . 1 26 26 ARG HA H 1 3.4470 0.0000 . 1 . . . . A 23 ARG HA . 36546 1 281 . 1 . 1 26 26 ARG HB2 H 1 1.0890 0.0000 . 1 . . . . A 23 ARG HB2 . 36546 1 282 . 1 . 1 26 26 ARG HB3 H 1 1.7260 0.0000 . 1 . . . . A 23 ARG HB3 . 36546 1 283 . 1 . 1 26 26 ARG HG2 H 1 1.2730 0.0000 . 2 . . . . A 23 ARG HG2 . 36546 1 284 . 1 . 1 26 26 ARG HG3 H 1 1.3470 0.0000 . 2 . . . . A 23 ARG HG3 . 36546 1 285 . 1 . 1 26 26 ARG HD2 H 1 2.8630 0.0000 . 2 . . . . A 23 ARG HD2 . 36546 1 286 . 1 . 1 26 26 ARG HD3 H 1 2.9740 0.0000 . 2 . . . . A 23 ARG HD3 . 36546 1 287 . 1 . 1 26 26 ARG HE H 1 8.6670 0.0000 . 1 . . . . A 23 ARG HE . 36546 1 288 . 1 . 1 26 26 ARG C C 13 173.9870 0.0000 . 1 . . . . A 23 ARG C . 36546 1 289 . 1 . 1 26 26 ARG CA C 13 54.6520 0.0000 . 1 . . . . A 23 ARG CA . 36546 1 290 . 1 . 1 26 26 ARG CB C 13 35.1330 0.0000 . 1 . . . . A 23 ARG CB . 36546 1 291 . 1 . 1 26 26 ARG CG C 13 28.1210 0.0000 . 1 . . . . A 23 ARG CG . 36546 1 292 . 1 . 1 26 26 ARG CD C 13 43.2140 0.0000 . 1 . . . . A 23 ARG CD . 36546 1 293 . 1 . 1 26 26 ARG N N 15 122.0140 0.0000 . 1 . . . . A 23 ARG N . 36546 1 294 . 1 . 1 26 26 ARG NE N 15 87.4440 0.0000 . 1 . . . . A 23 ARG NE . 36546 1 295 . 1 . 1 27 27 LEU H H 1 8.6130 0.0000 . 1 . . . . A 24 LEU H . 36546 1 296 . 1 . 1 27 27 LEU HA H 1 5.1070 0.0000 . 1 . . . . A 24 LEU HA . 36546 1 297 . 1 . 1 27 27 LEU HB2 H 1 1.1960 0.0000 . 1 . . . . A 24 LEU HB2 . 36546 1 298 . 1 . 1 27 27 LEU HB3 H 1 1.8780 0.0000 . 1 . . . . A 24 LEU HB3 . 36546 1 299 . 1 . 1 27 27 LEU HG H 1 1.2700 0.0000 . 1 . . . . A 24 LEU HG . 36546 1 300 . 1 . 1 27 27 LEU HD11 H 1 0.7710 0.0000 . 1 . . . . A 24 LEU HD11 . 36546 1 301 . 1 . 1 27 27 LEU HD12 H 1 0.7710 0.0000 . 1 . . . . A 24 LEU HD12 . 36546 1 302 . 1 . 1 27 27 LEU HD13 H 1 0.7710 0.0000 . 1 . . . . A 24 LEU HD13 . 36546 1 303 . 1 . 1 27 27 LEU HD21 H 1 0.6700 0.0000 . 1 . . . . A 24 LEU HD21 . 36546 1 304 . 1 . 1 27 27 LEU HD22 H 1 0.6700 0.0000 . 1 . . . . A 24 LEU HD22 . 36546 1 305 . 1 . 1 27 27 LEU HD23 H 1 0.6700 0.0000 . 1 . . . . A 24 LEU HD23 . 36546 1 306 . 1 . 1 27 27 LEU C C 13 174.2400 0.0000 . 1 . . . . A 24 LEU C . 36546 1 307 . 1 . 1 27 27 LEU CA C 13 54.6290 0.0000 . 1 . . . . A 24 LEU CA . 36546 1 308 . 1 . 1 27 27 LEU CB C 13 43.1650 0.0000 . 1 . . . . A 24 LEU CB . 36546 1 309 . 1 . 1 27 27 LEU CG C 13 27.6180 0.0000 . 1 . . . . A 24 LEU CG . 36546 1 310 . 1 . 1 27 27 LEU CD1 C 13 25.6060 0.0000 . 1 . . . . A 24 LEU CD1 . 36546 1 311 . 1 . 1 27 27 LEU CD2 C 13 25.6060 0.0000 . 1 . . . . A 24 LEU CD2 . 36546 1 312 . 1 . 1 27 27 LEU N N 15 125.1170 0.0000 . 1 . . . . A 24 LEU N . 36546 1 313 . 1 . 1 28 28 LYS H H 1 8.8830 0.0000 . 1 . . . . A 25 LYS H . 36546 1 314 . 1 . 1 28 28 LYS HA H 1 5.5320 0.0000 . 1 . . . . A 25 LYS HA . 36546 1 315 . 1 . 1 28 28 LYS HB3 H 1 1.5680 0.0000 . 2 . . . . A 25 LYS HB3 . 36546 1 316 . 1 . 1 28 28 LYS HG2 H 1 1.1080 0.0000 . 2 . . . . A 25 LYS HG2 . 36546 1 317 . 1 . 1 28 28 LYS HG3 H 1 1.3500 0.0000 . 2 . . . . A 25 LYS HG3 . 36546 1 318 . 1 . 1 28 28 LYS HD2 H 1 1.3980 0.0000 . 2 . . . . A 25 LYS HD2 . 36546 1 319 . 1 . 1 28 28 LYS HD3 H 1 1.4690 0.0000 . 2 . . . . A 25 LYS HD3 . 36546 1 320 . 1 . 1 28 28 LYS HE2 H 1 2.7030 0.0000 . 2 . . . . A 25 LYS HE2 . 36546 1 321 . 1 . 1 28 28 LYS HE3 H 1 2.7810 0.0000 . 2 . . . . A 25 LYS HE3 . 36546 1 322 . 1 . 1 28 28 LYS C C 13 175.0690 0.0000 . 1 . . . . A 25 LYS C . 36546 1 323 . 1 . 1 28 28 LYS CA C 13 53.8530 0.0000 . 1 . . . . A 25 LYS CA . 36546 1 324 . 1 . 1 28 28 LYS CB C 13 37.9750 0.0000 . 1 . . . . A 25 LYS CB . 36546 1 325 . 1 . 1 28 28 LYS CG C 13 25.6060 0.0000 . 1 . . . . A 25 LYS CG . 36546 1 326 . 1 . 1 28 28 LYS CD C 13 30.1340 0.0000 . 1 . . . . A 25 LYS CD . 36546 1 327 . 1 . 1 28 28 LYS CE C 13 42.2080 0.0000 . 1 . . . . A 25 LYS CE . 36546 1 328 . 1 . 1 28 28 LYS N N 15 125.6760 0.0000 . 1 . . . . A 25 LYS N . 36546 1 329 . 1 . 1 29 29 TRP H H 1 8.4450 0.0000 . 1 . . . . A 26 TRP H . 36546 1 330 . 1 . 1 29 29 TRP HA H 1 5.4450 0.0000 . 1 . . . . A 26 TRP HA . 36546 1 331 . 1 . 1 29 29 TRP HB2 H 1 2.5240 0.0000 . 1 . . . . A 26 TRP HB2 . 36546 1 332 . 1 . 1 29 29 TRP HB3 H 1 2.8670 0.0000 . 1 . . . . A 26 TRP HB3 . 36546 1 333 . 1 . 1 29 29 TRP HD1 H 1 6.5320 0.0000 . 1 . . . . A 26 TRP HD1 . 36546 1 334 . 1 . 1 29 29 TRP HE1 H 1 9.4170 0.0000 . 1 . . . . A 26 TRP HE1 . 36546 1 335 . 1 . 1 29 29 TRP HE3 H 1 7.3980 0.0000 . 1 . . . . A 26 TRP HE3 . 36546 1 336 . 1 . 1 29 29 TRP HZ2 H 1 7.7110 0.0000 . 1 . . . . A 26 TRP HZ2 . 36546 1 337 . 1 . 1 29 29 TRP HZ3 H 1 7.1540 0.0000 . 1 . . . . A 26 TRP HZ3 . 36546 1 338 . 1 . 1 29 29 TRP HH2 H 1 7.1340 0.0000 . 1 . . . . A 26 TRP HH2 . 36546 1 339 . 1 . 1 29 29 TRP C C 13 175.4230 0.0000 . 1 . . . . A 26 TRP C . 36546 1 340 . 1 . 1 29 29 TRP CA C 13 57.8940 0.0000 . 1 . . . . A 26 TRP CA . 36546 1 341 . 1 . 1 29 29 TRP CB C 13 32.4150 0.0000 . 1 . . . . A 26 TRP CB . 36546 1 342 . 1 . 1 29 29 TRP CD1 C 13 124.4000 0.0000 . 1 . . . . A 26 TRP CD1 . 36546 1 343 . 1 . 1 29 29 TRP CE3 C 13 121.0650 0.0000 . 1 . . . . A 26 TRP CE3 . 36546 1 344 . 1 . 1 29 29 TRP CZ2 C 13 115.0510 0.0000 . 1 . . . . A 26 TRP CZ2 . 36546 1 345 . 1 . 1 29 29 TRP CZ3 C 13 122.2910 0.0000 . 1 . . . . A 26 TRP CZ3 . 36546 1 346 . 1 . 1 29 29 TRP CH2 C 13 125.6660 0.0000 . 1 . . . . A 26 TRP CH2 . 36546 1 347 . 1 . 1 29 29 TRP N N 15 120.7900 0.0000 . 1 . . . . A 26 TRP N . 36546 1 348 . 1 . 1 29 29 TRP NE1 N 15 127.3300 0.0000 . 1 . . . . A 26 TRP NE1 . 36546 1 349 . 1 . 1 30 30 THR H H 1 7.6370 0.0000 . 1 . . . . A 27 THR H . 36546 1 350 . 1 . 1 30 30 THR HA H 1 4.3510 0.0000 . 1 . . . . A 27 THR HA . 36546 1 351 . 1 . 1 30 30 THR HB H 1 3.3990 0.0000 . 1 . . . . A 27 THR HB . 36546 1 352 . 1 . 1 30 30 THR HG21 H 1 0.7940 0.0000 . 1 . . . . A 27 THR HG21 . 36546 1 353 . 1 . 1 30 30 THR HG22 H 1 0.7940 0.0000 . 1 . . . . A 27 THR HG22 . 36546 1 354 . 1 . 1 30 30 THR HG23 H 1 0.7940 0.0000 . 1 . . . . A 27 THR HG23 . 36546 1 355 . 1 . 1 30 30 THR C C 13 173.1980 0.0000 . 1 . . . . A 27 THR C . 36546 1 356 . 1 . 1 30 30 THR CA C 13 61.1360 0.0000 . 1 . . . . A 27 THR CA . 36546 1 357 . 1 . 1 30 30 THR CB C 13 70.3500 0.0000 . 1 . . . . A 27 THR CB . 36546 1 358 . 1 . 1 30 30 THR CG2 C 13 20.0720 0.0000 . 1 . . . . A 27 THR CG2 . 36546 1 359 . 1 . 1 30 30 THR N N 15 126.0520 0.0000 . 1 . . . . A 27 THR N . 36546 1 360 . 1 . 1 31 31 GLY H H 1 9.3450 0.0000 . 1 . . . . A 28 GLY H . 36546 1 361 . 1 . 1 31 31 GLY HA3 H 1 3.4440 0.0000 . 2 . . . . A 28 GLY HA3 . 36546 1 362 . 1 . 1 31 31 GLY C C 13 173.1780 0.0000 . 1 . . . . A 28 GLY C . 36546 1 363 . 1 . 1 31 31 GLY CA C 13 46.0000 0.0000 . 1 . . . . A 28 GLY CA . 36546 1 364 . 1 . 1 31 31 GLY N N 15 118.7280 0.0000 . 1 . . . . A 28 GLY N . 36546 1 365 . 1 . 1 32 32 GLU H H 1 8.2840 0.0000 . 1 . . . . A 29 GLU H . 36546 1 366 . 1 . 1 32 32 GLU HA H 1 4.1200 0.0000 . 1 . . . . A 29 GLU HA . 36546 1 367 . 1 . 1 32 32 GLU HB3 H 1 1.9070 0.0000 . 2 . . . . A 29 GLU HB3 . 36546 1 368 . 1 . 1 32 32 GLU HG2 H 1 2.1450 0.0000 . 2 . . . . A 29 GLU HG2 . 36546 1 369 . 1 . 1 32 32 GLU HG3 H 1 2.1830 0.0000 . 2 . . . . A 29 GLU HG3 . 36546 1 370 . 1 . 1 32 32 GLU C C 13 178.0120 0.0000 . 1 . . . . A 29 GLU C . 36546 1 371 . 1 . 1 32 32 GLU CA C 13 57.9850 0.0000 . 1 . . . . A 29 GLU CA . 36546 1 372 . 1 . 1 32 32 GLU CB C 13 29.6550 0.0000 . 1 . . . . A 29 GLU CB . 36546 1 373 . 1 . 1 32 32 GLU CG C 13 36.1710 0.0000 . 1 . . . . A 29 GLU CG . 36546 1 374 . 1 . 1 32 32 GLU N N 15 123.7980 0.0000 . 1 . . . . A 29 GLU N . 36546 1 375 . 1 . 1 33 33 GLY H H 1 8.9580 0.0000 . 1 . . . . A 30 GLY H . 36546 1 376 . 1 . 1 33 33 GLY HA2 H 1 3.7830 0.0000 . 2 . . . . A 30 GLY HA2 . 36546 1 377 . 1 . 1 33 33 GLY HA3 H 1 4.1980 0.0000 . 2 . . . . A 30 GLY HA3 . 36546 1 378 . 1 . 1 33 33 GLY C C 13 173.9670 0.0000 . 1 . . . . A 30 GLY C . 36546 1 379 . 1 . 1 33 33 GLY CA C 13 45.6570 0.0000 . 1 . . . . A 30 GLY CA . 36546 1 380 . 1 . 1 33 33 GLY N N 15 115.5330 0.0000 . 1 . . . . A 30 GLY N . 36546 1 381 . 1 . 1 34 34 LYS H H 1 7.8860 0.0000 . 1 . . . . A 31 LYS H . 36546 1 382 . 1 . 1 34 34 LYS HA H 1 4.7540 0.0000 . 1 . . . . A 31 LYS HA . 36546 1 383 . 1 . 1 34 34 LYS HB2 H 1 1.8590 0.0000 . 2 . . . . A 31 LYS HB2 . 36546 1 384 . 1 . 1 34 34 LYS HB3 H 1 1.9520 0.0000 . 2 . . . . A 31 LYS HB3 . 36546 1 385 . 1 . 1 34 34 LYS HG2 H 1 1.1720 0.0000 . 2 . . . . A 31 LYS HG2 . 36546 1 386 . 1 . 1 34 34 LYS HG3 H 1 1.4520 0.0000 . 2 . . . . A 31 LYS HG3 . 36546 1 387 . 1 . 1 34 34 LYS HD3 H 1 1.6470 0.0000 . 2 . . . . A 31 LYS HD3 . 36546 1 388 . 1 . 1 34 34 LYS HE2 H 1 2.9710 0.0000 . 2 . . . . A 31 LYS HE2 . 36546 1 389 . 1 . 1 34 34 LYS HE3 H 1 3.0370 0.0000 . 2 . . . . A 31 LYS HE3 . 36546 1 390 . 1 . 1 34 34 LYS C C 13 176.8490 0.0000 . 1 . . . . A 31 LYS C . 36546 1 391 . 1 . 1 34 34 LYS CA C 13 53.9900 0.0000 . 1 . . . . A 31 LYS CA . 36546 1 392 . 1 . 1 34 34 LYS CB C 13 33.4860 0.0000 . 1 . . . . A 31 LYS CB . 36546 1 393 . 1 . 1 34 34 LYS CG C 13 24.0970 0.0000 . 1 . . . . A 31 LYS CG . 36546 1 394 . 1 . 1 34 34 LYS CD C 13 28.1210 0.0000 . 1 . . . . A 31 LYS CD . 36546 1 395 . 1 . 1 34 34 LYS CE C 13 42.2080 0.0000 . 1 . . . . A 31 LYS CE . 36546 1 396 . 1 . 1 34 34 LYS N N 15 120.3020 0.0000 . 1 . . . . A 31 LYS N . 36546 1 397 . 1 . 1 35 35 THR H H 1 8.5660 0.0000 . 1 . . . . A 32 THR H . 36546 1 398 . 1 . 1 35 35 THR HA H 1 4.4440 0.0000 . 1 . . . . A 32 THR HA . 36546 1 399 . 1 . 1 35 35 THR HB H 1 4.2980 0.0000 . 1 . . . . A 32 THR HB . 36546 1 400 . 1 . 1 35 35 THR HG21 H 1 1.0990 0.0000 . 1 . . . . A 32 THR HG21 . 36546 1 401 . 1 . 1 35 35 THR HG22 H 1 1.0990 0.0000 . 1 . . . . A 32 THR HG22 . 36546 1 402 . 1 . 1 35 35 THR HG23 H 1 1.0990 0.0000 . 1 . . . . A 32 THR HG23 . 36546 1 403 . 1 . 1 35 35 THR CA C 13 62.0870 0.0000 . 1 . . . . A 32 THR CA . 36546 1 404 . 1 . 1 35 35 THR CB C 13 69.5560 0.0000 . 1 . . . . A 32 THR CB . 36546 1 405 . 1 . 1 35 35 THR CG2 C 13 21.5820 0.0000 . 1 . . . . A 32 THR CG2 . 36546 1 406 . 1 . 1 35 35 THR N N 15 109.9940 0.0000 . 1 . . . . A 32 THR N . 36546 1 407 . 1 . 1 36 36 THR H H 1 7.5990 0.0000 . 1 . . . . A 33 THR H . 36546 1 408 . 1 . 1 36 36 THR HA H 1 4.8540 0.0000 . 1 . . . . A 33 THR HA . 36546 1 409 . 1 . 1 36 36 THR HB H 1 4.0710 0.0000 . 1 . . . . A 33 THR HB . 36546 1 410 . 1 . 1 36 36 THR HG21 H 1 1.2210 0.0000 . 1 . . . . A 33 THR HG21 . 36546 1 411 . 1 . 1 36 36 THR HG22 H 1 1.2210 0.0000 . 1 . . . . A 33 THR HG22 . 36546 1 412 . 1 . 1 36 36 THR HG23 H 1 1.2210 0.0000 . 1 . . . . A 33 THR HG23 . 36546 1 413 . 1 . 1 36 36 THR C C 13 172.0550 0.0000 . 1 . . . . A 33 THR C . 36546 1 414 . 1 . 1 36 36 THR CA C 13 58.8300 0.0000 . 1 . . . . A 33 THR CA . 36546 1 415 . 1 . 1 36 36 THR CB C 13 70.5150 0.0000 . 1 . . . . A 33 THR CB . 36546 1 416 . 1 . 1 36 36 THR CG2 C 13 21.0780 0.0000 . 1 . . . . A 33 THR CG2 . 36546 1 417 . 1 . 1 36 36 THR N N 15 118.1060 0.0000 . 1 . . . . A 33 THR N . 36546 1 418 . 1 . 1 37 37 PRO HA H 1 4.7710 0.0000 . 1 . . . . A 34 PRO HA . 36546 1 419 . 1 . 1 37 37 PRO HB2 H 1 1.9940 0.0000 . 2 . . . . A 34 PRO HB2 . 36546 1 420 . 1 . 1 37 37 PRO HB3 H 1 2.2100 0.0000 . 2 . . . . A 34 PRO HB3 . 36546 1 421 . 1 . 1 37 37 PRO HG3 H 1 1.8440 0.0000 . 2 . . . . A 34 PRO HG3 . 36546 1 422 . 1 . 1 37 37 PRO HD2 H 1 3.7870 0.0000 . 2 . . . . A 34 PRO HD2 . 36546 1 423 . 1 . 1 37 37 PRO HD3 H 1 3.8510 0.0000 . 2 . . . . A 34 PRO HD3 . 36546 1 424 . 1 . 1 37 37 PRO C C 13 177.5560 0.0000 . 1 . . . . A 34 PRO C . 36546 1 425 . 1 . 1 37 37 PRO CA C 13 63.3360 0.0000 . 1 . . . . A 34 PRO CA . 36546 1 426 . 1 . 1 37 37 PRO CB C 13 32.6490 0.0000 . 1 . . . . A 34 PRO CB . 36546 1 427 . 1 . 1 37 37 PRO CG C 13 27.1150 0.0000 . 1 . . . . A 34 PRO CG . 36546 1 428 . 1 . 1 37 37 PRO CD C 13 51.2620 0.0000 . 1 . . . . A 34 PRO CD . 36546 1 429 . 1 . 1 38 38 SER H H 1 8.8380 0.0000 . 1 . . . . A 35 SER H . 36546 1 430 . 1 . 1 38 38 SER HA H 1 4.9090 0.0000 . 1 . . . . A 35 SER HA . 36546 1 431 . 1 . 1 38 38 SER HB2 H 1 4.1490 0.0000 . 1 . . . . A 35 SER HB2 . 36546 1 432 . 1 . 1 38 38 SER HB3 H 1 4.3460 0.0000 . 1 . . . . A 35 SER HB3 . 36546 1 433 . 1 . 1 38 38 SER C C 13 173.6040 0.0000 . 1 . . . . A 35 SER C . 36546 1 434 . 1 . 1 38 38 SER CA C 13 59.5380 0.0000 . 1 . . . . A 35 SER CA . 36546 1 435 . 1 . 1 38 38 SER CB C 13 64.4190 0.0000 . 1 . . . . A 35 SER CB . 36546 1 436 . 1 . 1 38 38 SER N N 15 119.5700 0.0000 . 1 . . . . A 35 SER N . 36546 1 437 . 1 . 1 39 39 VAL H H 1 7.9000 0.0000 . 1 . . . . A 36 VAL H . 36546 1 438 . 1 . 1 39 39 VAL HA H 1 4.2400 0.0000 . 1 . . . . A 36 VAL HA . 36546 1 439 . 1 . 1 39 39 VAL HB H 1 1.8890 0.0000 . 1 . . . . A 36 VAL HB . 36546 1 440 . 1 . 1 39 39 VAL HG11 H 1 0.7760 0.0000 . 1 . . . . A 36 VAL HG11 . 36546 1 441 . 1 . 1 39 39 VAL HG12 H 1 0.7760 0.0000 . 1 . . . . A 36 VAL HG12 . 36546 1 442 . 1 . 1 39 39 VAL HG13 H 1 0.7760 0.0000 . 1 . . . . A 36 VAL HG13 . 36546 1 443 . 1 . 1 39 39 VAL HG21 H 1 0.4280 0.0000 . 1 . . . . A 36 VAL HG21 . 36546 1 444 . 1 . 1 39 39 VAL HG22 H 1 0.4280 0.0000 . 1 . . . . A 36 VAL HG22 . 36546 1 445 . 1 . 1 39 39 VAL HG23 H 1 0.4280 0.0000 . 1 . . . . A 36 VAL HG23 . 36546 1 446 . 1 . 1 39 39 VAL C C 13 174.3410 0.0000 . 1 . . . . A 36 VAL C . 36546 1 447 . 1 . 1 39 39 VAL CA C 13 61.7070 0.0000 . 1 . . . . A 36 VAL CA . 36546 1 448 . 1 . 1 39 39 VAL CB C 13 35.2980 0.0000 . 1 . . . . A 36 VAL CB . 36546 1 449 . 1 . 1 39 39 VAL CG1 C 13 21.5820 0.0000 . 1 . . . . A 36 VAL CG1 . 36546 1 450 . 1 . 1 39 39 VAL CG2 C 13 21.0780 0.0000 . 1 . . . . A 36 VAL CG2 . 36546 1 451 . 1 . 1 39 39 VAL N N 15 122.4820 0.0000 . 1 . . . . A 36 VAL N . 36546 1 452 . 1 . 1 40 40 ASP H H 1 8.6100 0.0000 . 1 . . . . A 37 ASP H . 36546 1 453 . 1 . 1 40 40 ASP HA H 1 5.2180 0.0000 . 1 . . . . A 37 ASP HA . 36546 1 454 . 1 . 1 40 40 ASP HB2 H 1 2.3020 0.0000 . 2 . . . . A 37 ASP HB2 . 36546 1 455 . 1 . 1 40 40 ASP HB3 H 1 2.6130 0.0000 . 2 . . . . A 37 ASP HB3 . 36546 1 456 . 1 . 1 40 40 ASP C C 13 175.3620 0.0000 . 1 . . . . A 37 ASP C . 36546 1 457 . 1 . 1 40 40 ASP CA C 13 54.0590 0.0000 . 1 . . . . A 37 ASP CA . 36546 1 458 . 1 . 1 40 40 ASP CB C 13 41.2290 0.0000 . 1 . . . . A 37 ASP CB . 36546 1 459 . 1 . 1 40 40 ASP N N 15 128.3020 0.0000 . 1 . . . . A 37 ASP N . 36546 1 460 . 1 . 1 41 41 ILE H H 1 9.4070 0.0000 . 1 . . . . A 38 ILE H . 36546 1 461 . 1 . 1 41 41 ILE HA H 1 4.5090 0.0000 . 1 . . . . A 38 ILE HA . 36546 1 462 . 1 . 1 41 41 ILE HB H 1 1.7290 0.0000 . 1 . . . . A 38 ILE HB . 36546 1 463 . 1 . 1 41 41 ILE HG12 H 1 1.0960 0.0000 . 2 . . . . A 38 ILE HG12 . 36546 1 464 . 1 . 1 41 41 ILE HG13 H 1 1.3290 0.0000 . 2 . . . . A 38 ILE HG13 . 36546 1 465 . 1 . 1 41 41 ILE HG21 H 1 0.8790 0.0000 . 1 . . . . A 38 ILE HG21 . 36546 1 466 . 1 . 1 41 41 ILE HG22 H 1 0.8790 0.0000 . 1 . . . . A 38 ILE HG22 . 36546 1 467 . 1 . 1 41 41 ILE HG23 H 1 0.8790 0.0000 . 1 . . . . A 38 ILE HG23 . 36546 1 468 . 1 . 1 41 41 ILE HD11 H 1 0.7110 0.0000 . 1 . . . . A 38 ILE HD11 . 36546 1 469 . 1 . 1 41 41 ILE HD12 H 1 0.7110 0.0000 . 1 . . . . A 38 ILE HD12 . 36546 1 470 . 1 . 1 41 41 ILE HD13 H 1 0.7110 0.0000 . 1 . . . . A 38 ILE HD13 . 36546 1 471 . 1 . 1 41 41 ILE C C 13 174.0780 0.0000 . 1 . . . . A 38 ILE C . 36546 1 472 . 1 . 1 41 41 ILE CA C 13 59.1500 0.0000 . 1 . . . . A 38 ILE CA . 36546 1 473 . 1 . 1 41 41 ILE CB C 13 42.1350 0.0000 . 1 . . . . A 38 ILE CB . 36546 1 474 . 1 . 1 41 41 ILE CG1 C 13 27.1150 0.0000 . 1 . . . . A 38 ILE CG1 . 36546 1 475 . 1 . 1 41 41 ILE CG2 C 13 17.5570 0.0000 . 1 . . . . A 38 ILE CG2 . 36546 1 476 . 1 . 1 41 41 ILE CD1 C 13 13.5330 0.0000 . 1 . . . . A 38 ILE CD1 . 36546 1 477 . 1 . 1 41 41 ILE N N 15 125.3970 0.0000 . 1 . . . . A 38 ILE N . 36546 1 478 . 1 . 1 42 42 ALA H H 1 8.4420 0.0000 . 1 . . . . A 39 ALA H . 36546 1 479 . 1 . 1 42 42 ALA HA H 1 4.3340 0.0000 . 1 . . . . A 39 ALA HA . 36546 1 480 . 1 . 1 42 42 ALA HB1 H 1 1.4090 0.0000 . 1 . . . . A 39 ALA HB1 . 36546 1 481 . 1 . 1 42 42 ALA HB2 H 1 1.4090 0.0000 . 1 . . . . A 39 ALA HB2 . 36546 1 482 . 1 . 1 42 42 ALA HB3 H 1 1.4090 0.0000 . 1 . . . . A 39 ALA HB3 . 36546 1 483 . 1 . 1 42 42 ALA C C 13 179.4690 0.0000 . 1 . . . . A 39 ALA C . 36546 1 484 . 1 . 1 42 42 ALA CA C 13 50.8400 0.0000 . 1 . . . . A 39 ALA CA . 36546 1 485 . 1 . 1 42 42 ALA CB C 13 20.0580 0.0000 . 1 . . . . A 39 ALA CB . 36546 1 486 . 1 . 1 42 42 ALA N N 15 128.4450 0.0000 . 1 . . . . A 39 ALA N . 36546 1 487 . 1 . 1 43 43 PHE H H 1 8.8440 0.0000 . 1 . . . . A 40 PHE H . 36546 1 488 . 1 . 1 43 43 PHE HA H 1 4.4810 0.0000 . 1 . . . . A 40 PHE HA . 36546 1 489 . 1 . 1 43 43 PHE HB2 H 1 2.8710 0.0000 . 1 . . . . A 40 PHE HB2 . 36546 1 490 . 1 . 1 43 43 PHE HB3 H 1 3.1620 0.0000 . 1 . . . . A 40 PHE HB3 . 36546 1 491 . 1 . 1 43 43 PHE HD1 H 1 7.0590 0.0000 . 3 . . . . A 40 PHE HD1 . 36546 1 492 . 1 . 1 43 43 PHE HE1 H 1 7.0140 0.0000 . 3 . . . . A 40 PHE HE1 . 36546 1 493 . 1 . 1 43 43 PHE HZ H 1 6.9020 0.0000 . 1 . . . . A 40 PHE HZ . 36546 1 494 . 1 . 1 43 43 PHE C C 13 178.0730 0.0000 . 1 . . . . A 40 PHE C . 36546 1 495 . 1 . 1 43 43 PHE CA C 13 59.2410 0.0000 . 1 . . . . A 40 PHE CA . 36546 1 496 . 1 . 1 43 43 PHE CB C 13 37.5630 0.0000 . 1 . . . . A 40 PHE CB . 36546 1 497 . 1 . 1 43 43 PHE CD1 C 13 130.3580 0.0000 . 3 . . . . A 40 PHE CD1 . 36546 1 498 . 1 . 1 43 43 PHE CE1 C 13 131.9950 0.0000 . 3 . . . . A 40 PHE CE1 . 36546 1 499 . 1 . 1 43 43 PHE CZ C 13 130.0680 0.0000 . 1 . . . . A 40 PHE CZ . 36546 1 500 . 1 . 1 43 43 PHE N N 15 120.4330 0.0000 . 1 . . . . A 40 PHE N . 36546 1 501 . 1 . 1 44 44 ASP H H 1 8.4600 0.0000 . 1 . . . . A 41 ASP H . 36546 1 502 . 1 . 1 44 44 ASP HA H 1 4.4770 0.0000 . 1 . . . . A 41 ASP HA . 36546 1 503 . 1 . 1 44 44 ASP HB2 H 1 2.7560 0.0000 . 1 . . . . A 41 ASP HB2 . 36546 1 504 . 1 . 1 44 44 ASP HB3 H 1 2.5850 0.0000 . 1 . . . . A 41 ASP HB3 . 36546 1 505 . 1 . 1 44 44 ASP C C 13 176.1510 0.0000 . 1 . . . . A 41 ASP C . 36546 1 506 . 1 . 1 44 44 ASP CA C 13 54.7660 0.0000 . 1 . . . . A 41 ASP CA . 36546 1 507 . 1 . 1 44 44 ASP CB C 13 39.4990 0.0000 . 1 . . . . A 41 ASP CB . 36546 1 508 . 1 . 1 44 44 ASP N N 15 114.0300 0.0000 . 1 . . . . A 41 ASP N . 36546 1 509 . 1 . 1 45 45 ALA H H 1 7.7430 0.0000 . 1 . . . . A 42 ALA H . 36546 1 510 . 1 . 1 45 45 ALA HA H 1 4.5370 0.0000 . 1 . . . . A 42 ALA HA . 36546 1 511 . 1 . 1 45 45 ALA HB1 H 1 1.5740 0.0000 . 1 . . . . A 42 ALA HB1 . 36546 1 512 . 1 . 1 45 45 ALA HB2 H 1 1.5740 0.0000 . 1 . . . . A 42 ALA HB2 . 36546 1 513 . 1 . 1 45 45 ALA HB3 H 1 1.5740 0.0000 . 1 . . . . A 42 ALA HB3 . 36546 1 514 . 1 . 1 45 45 ALA C C 13 176.4350 0.0000 . 1 . . . . A 42 ALA C . 36546 1 515 . 1 . 1 45 45 ALA CA C 13 52.0950 0.0000 . 1 . . . . A 42 ALA CA . 36546 1 516 . 1 . 1 45 45 ALA CB C 13 19.1520 0.0000 . 1 . . . . A 42 ALA CB . 36546 1 517 . 1 . 1 45 45 ALA N N 15 122.4040 0.0000 . 1 . . . . A 42 ALA N . 36546 1 518 . 1 . 1 46 46 ILE H H 1 7.4240 0.0000 . 1 . . . . A 43 ILE H . 36546 1 519 . 1 . 1 46 46 ILE HA H 1 4.5590 0.0000 . 1 . . . . A 43 ILE HA . 36546 1 520 . 1 . 1 46 46 ILE HB H 1 2.0440 0.0000 . 1 . . . . A 43 ILE HB . 36546 1 521 . 1 . 1 46 46 ILE HG12 H 1 0.6920 0.0000 . 2 . . . . A 43 ILE HG12 . 36546 1 522 . 1 . 1 46 46 ILE HG13 H 1 1.9470 0.0000 . 2 . . . . A 43 ILE HG13 . 36546 1 523 . 1 . 1 46 46 ILE HG21 H 1 0.9080 0.0000 . 1 . . . . A 43 ILE HG21 . 36546 1 524 . 1 . 1 46 46 ILE HG22 H 1 0.9080 0.0000 . 1 . . . . A 43 ILE HG22 . 36546 1 525 . 1 . 1 46 46 ILE HG23 H 1 0.9080 0.0000 . 1 . . . . A 43 ILE HG23 . 36546 1 526 . 1 . 1 46 46 ILE HD11 H 1 0.9650 0.0000 . 1 . . . . A 43 ILE HD11 . 36546 1 527 . 1 . 1 46 46 ILE HD12 H 1 0.9650 0.0000 . 1 . . . . A 43 ILE HD12 . 36546 1 528 . 1 . 1 46 46 ILE HD13 H 1 0.9650 0.0000 . 1 . . . . A 43 ILE HD13 . 36546 1 529 . 1 . 1 46 46 ILE C C 13 175.9590 0.0000 . 1 . . . . A 43 ILE C . 36546 1 530 . 1 . 1 46 46 ILE CA C 13 61.7070 0.0000 . 1 . . . . A 43 ILE CA . 36546 1 531 . 1 . 1 46 46 ILE CB C 13 38.5520 0.0000 . 1 . . . . A 43 ILE CB . 36546 1 532 . 1 . 1 46 46 ILE CG1 C 13 27.6180 0.0000 . 1 . . . . A 43 ILE CG1 . 36546 1 533 . 1 . 1 46 46 ILE CG2 C 13 17.5570 0.0000 . 1 . . . . A 43 ILE CG2 . 36546 1 534 . 1 . 1 46 46 ILE CD1 C 13 15.5450 0.0000 . 1 . . . . A 43 ILE CD1 . 36546 1 535 . 1 . 1 46 46 ILE N N 15 119.6650 0.0000 . 1 . . . . A 43 ILE N . 36546 1 536 . 1 . 1 47 47 SER H H 1 9.2670 0.0000 . 1 . . . . A 44 SER H . 36546 1 537 . 1 . 1 47 47 SER HA H 1 4.4900 0.0000 . 1 . . . . A 44 SER HA . 36546 1 538 . 1 . 1 47 47 SER HB2 H 1 3.7850 0.0000 . 1 . . . . A 44 SER HB2 . 36546 1 539 . 1 . 1 47 47 SER HB3 H 1 3.5670 0.0000 . 1 . . . . A 44 SER HB3 . 36546 1 540 . 1 . 1 47 47 SER C C 13 175.2310 0.0000 . 1 . . . . A 44 SER C . 36546 1 541 . 1 . 1 47 47 SER CA C 13 58.9210 0.0000 . 1 . . . . A 44 SER CA . 36546 1 542 . 1 . 1 47 47 SER CB C 13 64.1720 0.0000 . 1 . . . . A 44 SER CB . 36546 1 543 . 1 . 1 47 47 SER N N 15 124.4550 0.0000 . 1 . . . . A 44 SER N . 36546 1 544 . 1 . 1 48 48 ASN H H 1 7.8330 0.0000 . 1 . . . . A 45 ASN H . 36546 1 545 . 1 . 1 48 48 ASN HA H 1 4.9010 0.0000 . 1 . . . . A 45 ASN HA . 36546 1 546 . 1 . 1 48 48 ASN HB2 H 1 2.4310 0.0000 . 2 . . . . A 45 ASN HB2 . 36546 1 547 . 1 . 1 48 48 ASN HB3 H 1 2.8310 0.0000 . 2 . . . . A 45 ASN HB3 . 36546 1 548 . 1 . 1 48 48 ASN HD21 H 1 7.1280 0.0000 . 2 . . . . A 45 ASN HD21 . 36546 1 549 . 1 . 1 48 48 ASN HD22 H 1 6.6480 0.0000 . 2 . . . . A 45 ASN HD22 . 36546 1 550 . 1 . 1 48 48 ASN C C 13 172.0550 0.0000 . 1 . . . . A 45 ASN C . 36546 1 551 . 1 . 1 48 48 ASN CA C 13 52.8940 0.0000 . 1 . . . . A 45 ASN CA . 36546 1 552 . 1 . 1 48 48 ASN CB C 13 40.8580 0.0000 . 1 . . . . A 45 ASN CB . 36546 1 553 . 1 . 1 48 48 ASN N N 15 117.2200 0.0000 . 1 . . . . A 45 ASN N . 36546 1 554 . 1 . 1 48 48 ASN ND2 N 15 113.2570 0.0000 . 1 . . . . A 45 ASN ND2 . 36546 1 555 . 1 . 1 49 49 LEU H H 1 8.5680 0.0000 . 1 . . . . A 46 LEU H . 36546 1 556 . 1 . 1 49 49 LEU HA H 1 5.5610 0.0000 . 1 . . . . A 46 LEU HA . 36546 1 557 . 1 . 1 49 49 LEU HB3 H 1 1.5780 0.0000 . 2 . . . . A 46 LEU HB3 . 36546 1 558 . 1 . 1 49 49 LEU HG H 1 1.6380 0.0000 . 1 . . . . A 46 LEU HG . 36546 1 559 . 1 . 1 49 49 LEU HD11 H 1 0.9060 0.0000 . 1 . . . . A 46 LEU HD11 . 36546 1 560 . 1 . 1 49 49 LEU HD12 H 1 0.9060 0.0000 . 1 . . . . A 46 LEU HD12 . 36546 1 561 . 1 . 1 49 49 LEU HD13 H 1 0.9060 0.0000 . 1 . . . . A 46 LEU HD13 . 36546 1 562 . 1 . 1 49 49 LEU HD21 H 1 0.8800 0.0000 . 1 . . . . A 46 LEU HD21 . 36546 1 563 . 1 . 1 49 49 LEU HD22 H 1 0.8800 0.0000 . 1 . . . . A 46 LEU HD22 . 36546 1 564 . 1 . 1 49 49 LEU HD23 H 1 0.8800 0.0000 . 1 . . . . A 46 LEU HD23 . 36546 1 565 . 1 . 1 49 49 LEU C C 13 175.3320 0.0000 . 1 . . . . A 46 LEU C . 36546 1 566 . 1 . 1 49 49 LEU CA C 13 54.2640 0.0000 . 1 . . . . A 46 LEU CA . 36546 1 567 . 1 . 1 49 49 LEU CB C 13 45.5950 0.0000 . 1 . . . . A 46 LEU CB . 36546 1 568 . 1 . 1 49 49 LEU CG C 13 27.1150 0.0000 . 1 . . . . A 46 LEU CG . 36546 1 569 . 1 . 1 49 49 LEU CD1 C 13 26.6120 0.0000 . 1 . . . . A 46 LEU CD1 . 36546 1 570 . 1 . 1 49 49 LEU CD2 C 13 26.6120 0.0000 . 1 . . . . A 46 LEU CD2 . 36546 1 571 . 1 . 1 49 49 LEU N N 15 122.0220 0.0000 . 1 . . . . A 46 LEU N . 36546 1 572 . 1 . 1 50 50 GLN H H 1 9.3390 0.0000 . 1 . . . . A 47 GLN H . 36546 1 573 . 1 . 1 50 50 GLN HA H 1 4.9450 0.0000 . 1 . . . . A 47 GLN HA . 36546 1 574 . 1 . 1 50 50 GLN HB2 H 1 2.1630 0.0000 . 1 . . . . A 47 GLN HB2 . 36546 1 575 . 1 . 1 50 50 GLN HB3 H 1 2.0390 0.0000 . 1 . . . . A 47 GLN HB3 . 36546 1 576 . 1 . 1 50 50 GLN HG2 H 1 2.3640 0.0000 . 2 . . . . A 47 GLN HG2 . 36546 1 577 . 1 . 1 50 50 GLN HG3 H 1 2.3910 0.0000 . 2 . . . . A 47 GLN HG3 . 36546 1 578 . 1 . 1 50 50 GLN HE21 H 1 7.4770 0.0000 . 2 . . . . A 47 GLN HE21 . 36546 1 579 . 1 . 1 50 50 GLN HE22 H 1 6.7960 0.0000 . 2 . . . . A 47 GLN HE22 . 36546 1 580 . 1 . 1 50 50 GLN C C 13 174.5330 0.0000 . 1 . . . . A 47 GLN C . 36546 1 581 . 1 . 1 50 50 GLN CA C 13 54.8810 0.0000 . 1 . . . . A 47 GLN CA . 36546 1 582 . 1 . 1 50 50 GLN CB C 13 33.0740 0.0000 . 1 . . . . A 47 GLN CB . 36546 1 583 . 1 . 1 50 50 GLN CG C 13 33.6550 0.0000 . 1 . . . . A 47 GLN CG . 36546 1 584 . 1 . 1 50 50 GLN N N 15 123.2320 0.0000 . 1 . . . . A 47 GLN N . 36546 1 585 . 1 . 1 50 50 GLN NE2 N 15 112.5870 0.0000 . 1 . . . . A 47 GLN NE2 . 36546 1 586 . 1 . 1 51 51 THR H H 1 8.8280 0.0000 . 1 . . . . A 48 THR H . 36546 1 587 . 1 . 1 51 51 THR HA H 1 5.2750 0.0000 . 1 . . . . A 48 THR HA . 36546 1 588 . 1 . 1 51 51 THR HB H 1 4.0870 0.0000 . 1 . . . . A 48 THR HB . 36546 1 589 . 1 . 1 51 51 THR HG21 H 1 1.1900 0.0000 . 1 . . . . A 48 THR HG21 . 36546 1 590 . 1 . 1 51 51 THR HG22 H 1 1.1900 0.0000 . 1 . . . . A 48 THR HG22 . 36546 1 591 . 1 . 1 51 51 THR HG23 H 1 1.1900 0.0000 . 1 . . . . A 48 THR HG23 . 36546 1 592 . 1 . 1 51 51 THR C C 13 174.6650 0.0000 . 1 . . . . A 48 THR C . 36546 1 593 . 1 . 1 51 51 THR CA C 13 60.0630 0.0000 . 1 . . . . A 48 THR CA . 36546 1 594 . 1 . 1 51 51 THR CB C 13 71.0500 0.0000 . 1 . . . . A 48 THR CB . 36546 1 595 . 1 . 1 51 51 THR CG2 C 13 22.0850 0.0000 . 1 . . . . A 48 THR CG2 . 36546 1 596 . 1 . 1 51 51 THR N N 15 120.7960 0.0000 . 1 . . . . A 48 THR N . 36546 1 597 . 1 . 1 52 52 THR H H 1 8.4250 0.0000 . 1 . . . . A 49 THR H . 36546 1 598 . 1 . 1 52 52 THR HA H 1 4.7600 0.0000 . 1 . . . . A 49 THR HA . 36546 1 599 . 1 . 1 52 52 THR HB H 1 4.3600 0.0000 . 1 . . . . A 49 THR HB . 36546 1 600 . 1 . 1 52 52 THR HG21 H 1 1.3480 0.0000 . 1 . . . . A 49 THR HG21 . 36546 1 601 . 1 . 1 52 52 THR HG22 H 1 1.3480 0.0000 . 1 . . . . A 49 THR HG22 . 36546 1 602 . 1 . 1 52 52 THR HG23 H 1 1.3480 0.0000 . 1 . . . . A 49 THR HG23 . 36546 1 603 . 1 . 1 52 52 THR C C 13 173.4100 0.0000 . 1 . . . . A 49 THR C . 36546 1 604 . 1 . 1 52 52 THR CA C 13 59.3550 0.0000 . 1 . . . . A 49 THR CA . 36546 1 605 . 1 . 1 52 52 THR CB C 13 69.1970 0.0000 . 1 . . . . A 49 THR CB . 36546 1 606 . 1 . 1 52 52 THR CG2 C 13 24.0970 0.0000 . 1 . . . . A 49 THR CG2 . 36546 1 607 . 1 . 1 52 52 THR N N 15 116.5860 0.0000 . 1 . . . . A 49 THR N . 36546 1 608 . 1 . 1 53 53 PRO HA H 1 4.7400 0.0000 . 1 . . . . A 50 PRO HA . 36546 1 609 . 1 . 1 53 53 PRO HB2 H 1 2.0880 0.0000 . 2 . . . . A 50 PRO HB2 . 36546 1 610 . 1 . 1 53 53 PRO HB3 H 1 2.3790 0.0000 . 2 . . . . A 50 PRO HB3 . 36546 1 611 . 1 . 1 53 53 PRO HG2 H 1 2.0300 0.0000 . 2 . . . . A 50 PRO HG2 . 36546 1 612 . 1 . 1 53 53 PRO HG3 H 1 2.1060 0.0000 . 2 . . . . A 50 PRO HG3 . 36546 1 613 . 1 . 1 53 53 PRO HD2 H 1 3.6560 0.0000 . 2 . . . . A 50 PRO HD2 . 36546 1 614 . 1 . 1 53 53 PRO HD3 H 1 3.8820 0.0000 . 2 . . . . A 50 PRO HD3 . 36546 1 615 . 1 . 1 53 53 PRO C C 13 177.7710 0.0000 . 1 . . . . A 50 PRO C . 36546 1 616 . 1 . 1 53 53 PRO CA C 13 62.3300 0.0000 . 1 . . . . A 50 PRO CA . 36546 1 617 . 1 . 1 53 53 PRO CB C 13 32.6490 0.0000 . 1 . . . . A 50 PRO CB . 36546 1 618 . 1 . 1 53 53 PRO CG C 13 27.6180 0.0000 . 1 . . . . A 50 PRO CG . 36546 1 619 . 1 . 1 53 53 PRO CD C 13 50.7590 0.0000 . 1 . . . . A 50 PRO CD . 36546 1 620 . 1 . 1 54 54 ALA H H 1 8.9150 0.0000 . 1 . . . . A 51 ALA H . 36546 1 621 . 1 . 1 54 54 ALA HA H 1 4.0580 0.0000 . 1 . . . . A 51 ALA HA . 36546 1 622 . 1 . 1 54 54 ALA HB1 H 1 1.4090 0.0000 . 1 . . . . A 51 ALA HB1 . 36546 1 623 . 1 . 1 54 54 ALA HB2 H 1 1.4090 0.0000 . 1 . . . . A 51 ALA HB2 . 36546 1 624 . 1 . 1 54 54 ALA HB3 H 1 1.4090 0.0000 . 1 . . . . A 51 ALA HB3 . 36546 1 625 . 1 . 1 54 54 ALA C C 13 177.8420 0.0000 . 1 . . . . A 51 ALA C . 36546 1 626 . 1 . 1 54 54 ALA CA C 13 54.9220 0.0000 . 1 . . . . A 51 ALA CA . 36546 1 627 . 1 . 1 54 54 ALA CB C 13 18.0620 0.0000 . 1 . . . . A 51 ALA CB . 36546 1 628 . 1 . 1 54 54 ALA N N 15 124.7380 0.0000 . 1 . . . . A 51 ALA N . 36546 1 629 . 1 . 1 55 55 SER H H 1 7.7830 0.0000 . 1 . . . . A 52 SER H . 36546 1 630 . 1 . 1 55 55 SER HA H 1 4.2760 0.0000 . 1 . . . . A 52 SER HA . 36546 1 631 . 1 . 1 55 55 SER HB2 H 1 3.7930 0.0000 . 2 . . . . A 52 SER HB2 . 36546 1 632 . 1 . 1 55 55 SER HB3 H 1 4.0050 0.0000 . 2 . . . . A 52 SER HB3 . 36546 1 633 . 1 . 1 55 55 SER C C 13 174.2900 0.0000 . 1 . . . . A 52 SER C . 36546 1 634 . 1 . 1 55 55 SER CA C 13 58.4650 0.0000 . 1 . . . . A 52 SER CA . 36546 1 635 . 1 . 1 55 55 SER CB C 13 63.1420 0.0000 . 1 . . . . A 52 SER CB . 36546 1 636 . 1 . 1 55 55 SER N N 15 109.6180 0.0000 . 1 . . . . A 52 SER N . 36546 1 637 . 1 . 1 56 56 ASN H H 1 8.0500 0.0000 . 1 . . . . A 53 ASN H . 36546 1 638 . 1 . 1 56 56 ASN HA H 1 5.0640 0.0000 . 1 . . . . A 53 ASN HA . 36546 1 639 . 1 . 1 56 56 ASN HB2 H 1 2.5900 0.0000 . 2 . . . . A 53 ASN HB2 . 36546 1 640 . 1 . 1 56 56 ASN HB3 H 1 3.2130 0.0000 . 2 . . . . A 53 ASN HB3 . 36546 1 641 . 1 . 1 56 56 ASN HD21 H 1 7.5960 0.0000 . 2 . . . . A 53 ASN HD21 . 36546 1 642 . 1 . 1 56 56 ASN HD22 H 1 7.0900 0.0000 . 2 . . . . A 53 ASN HD22 . 36546 1 643 . 1 . 1 56 56 ASN C C 13 173.8250 0.0000 . 1 . . . . A 53 ASN C . 36546 1 644 . 1 . 1 56 56 ASN CA C 13 50.7710 0.0000 . 1 . . . . A 53 ASN CA . 36546 1 645 . 1 . 1 56 56 ASN CB C 13 40.5290 0.0000 . 1 . . . . A 53 ASN CB . 36546 1 646 . 1 . 1 56 56 ASN N N 15 126.5080 0.0000 . 1 . . . . A 53 ASN N . 36546 1 647 . 1 . 1 56 56 ASN ND2 N 15 113.7520 0.0000 . 1 . . . . A 53 ASN ND2 . 36546 1 648 . 1 . 1 57 57 PRO HA H 1 4.4520 0.0000 . 1 . . . . A 54 PRO HA . 36546 1 649 . 1 . 1 57 57 PRO HB2 H 1 1.9550 0.0000 . 2 . . . . A 54 PRO HB2 . 36546 1 650 . 1 . 1 57 57 PRO HB3 H 1 2.3060 0.0000 . 2 . . . . A 54 PRO HB3 . 36546 1 651 . 1 . 1 57 57 PRO HG2 H 1 1.9230 0.0000 . 2 . . . . A 54 PRO HG2 . 36546 1 652 . 1 . 1 57 57 PRO HG3 H 1 2.0290 0.0000 . 2 . . . . A 54 PRO HG3 . 36546 1 653 . 1 . 1 57 57 PRO HD3 H 1 3.8580 0.0000 . 2 . . . . A 54 PRO HD3 . 36546 1 654 . 1 . 1 57 57 PRO C C 13 177.5580 0.0000 . 1 . . . . A 54 PRO C . 36546 1 655 . 1 . 1 57 57 PRO CA C 13 63.8390 0.0000 . 1 . . . . A 54 PRO CA . 36546 1 656 . 1 . 1 57 57 PRO CB C 13 32.1460 0.0000 . 1 . . . . A 54 PRO CB . 36546 1 657 . 1 . 1 57 57 PRO CG C 13 27.1150 0.0000 . 1 . . . . A 54 PRO CG . 36546 1 658 . 1 . 1 57 57 PRO CD C 13 50.7590 0.0000 . 1 . . . . A 54 PRO CD . 36546 1 659 . 1 . 1 58 58 LYS H H 1 8.4890 0.0000 . 1 . . . . A 55 LYS H . 36546 1 660 . 1 . 1 58 58 LYS HA H 1 4.5880 0.0000 . 1 . . . . A 55 LYS HA . 36546 1 661 . 1 . 1 58 58 LYS HB2 H 1 1.6970 0.0000 . 2 . . . . A 55 LYS HB2 . 36546 1 662 . 1 . 1 58 58 LYS HB3 H 1 1.7490 0.0000 . 2 . . . . A 55 LYS HB3 . 36546 1 663 . 1 . 1 58 58 LYS HG2 H 1 1.3180 0.0000 . 2 . . . . A 55 LYS HG2 . 36546 1 664 . 1 . 1 58 58 LYS HG3 H 1 1.4740 0.0000 . 2 . . . . A 55 LYS HG3 . 36546 1 665 . 1 . 1 58 58 LYS HD2 H 1 1.6630 0.0000 . 2 . . . . A 55 LYS HD2 . 36546 1 666 . 1 . 1 58 58 LYS HD3 H 1 1.6920 0.0000 . 2 . . . . A 55 LYS HD3 . 36546 1 667 . 1 . 1 58 58 LYS HE3 H 1 2.9580 0.0000 . 2 . . . . A 55 LYS HE3 . 36546 1 668 . 1 . 1 58 58 LYS C C 13 174.6850 0.0000 . 1 . . . . A 55 LYS C . 36546 1 669 . 1 . 1 58 58 LYS CA C 13 55.4740 0.0000 . 1 . . . . A 55 LYS CA . 36546 1 670 . 1 . 1 58 58 LYS CB C 13 32.3730 0.0000 . 1 . . . . A 55 LYS CB . 36546 1 671 . 1 . 1 58 58 LYS CG C 13 25.1030 0.0000 . 1 . . . . A 55 LYS CG . 36546 1 672 . 1 . 1 58 58 LYS CD C 13 29.1280 0.0000 . 1 . . . . A 55 LYS CD . 36546 1 673 . 1 . 1 58 58 LYS CE C 13 42.2080 0.0000 . 1 . . . . A 55 LYS CE . 36546 1 674 . 1 . 1 58 58 LYS N N 15 120.7210 0.0000 . 1 . . . . A 55 LYS N . 36546 1 675 . 1 . 1 59 59 VAL H H 1 8.6200 0.0000 . 1 . . . . A 56 VAL H . 36546 1 676 . 1 . 1 59 59 VAL HA H 1 4.0510 0.0000 . 1 . . . . A 56 VAL HA . 36546 1 677 . 1 . 1 59 59 VAL HB H 1 1.9650 0.0000 . 1 . . . . A 56 VAL HB . 36546 1 678 . 1 . 1 59 59 VAL HG11 H 1 0.7930 0.0000 . 1 . . . . A 56 VAL HG11 . 36546 1 679 . 1 . 1 59 59 VAL HG12 H 1 0.7930 0.0000 . 1 . . . . A 56 VAL HG12 . 36546 1 680 . 1 . 1 59 59 VAL HG13 H 1 0.7930 0.0000 . 1 . . . . A 56 VAL HG13 . 36546 1 681 . 1 . 1 59 59 VAL HG21 H 1 0.9050 0.0000 . 1 . . . . A 56 VAL HG21 . 36546 1 682 . 1 . 1 59 59 VAL HG22 H 1 0.9050 0.0000 . 1 . . . . A 56 VAL HG22 . 36546 1 683 . 1 . 1 59 59 VAL HG23 H 1 0.9050 0.0000 . 1 . . . . A 56 VAL HG23 . 36546 1 684 . 1 . 1 59 59 VAL C C 13 174.9480 0.0000 . 1 . . . . A 56 VAL C . 36546 1 685 . 1 . 1 59 59 VAL CA C 13 61.9810 0.0000 . 1 . . . . A 56 VAL CA . 36546 1 686 . 1 . 1 59 59 VAL CB C 13 31.8380 0.0000 . 1 . . . . A 56 VAL CB . 36546 1 687 . 1 . 1 59 59 VAL CG1 C 13 23.5940 0.0000 . 1 . . . . A 56 VAL CG1 . 36546 1 688 . 1 . 1 59 59 VAL CG2 C 13 20.0720 0.0000 . 1 . . . . A 56 VAL CG2 . 36546 1 689 . 1 . 1 59 59 VAL N N 15 125.9580 0.0000 . 1 . . . . A 56 VAL N . 36546 1 690 . 1 . 1 60 60 MET H H 1 8.1190 0.0000 . 1 . . . . A 57 MET H . 36546 1 691 . 1 . 1 60 60 MET HA H 1 5.6750 0.0000 . 1 . . . . A 57 MET HA . 36546 1 692 . 1 . 1 60 60 MET HB2 H 1 1.6070 0.0000 . 1 . . . . A 57 MET HB2 . 36546 1 693 . 1 . 1 60 60 MET HB3 H 1 1.8710 0.0000 . 1 . . . . A 57 MET HB3 . 36546 1 694 . 1 . 1 60 60 MET HG2 H 1 2.0460 0.0000 . 2 . . . . A 57 MET HG2 . 36546 1 695 . 1 . 1 60 60 MET HG3 H 1 2.2200 0.0000 . 2 . . . . A 57 MET HG3 . 36546 1 696 . 1 . 1 60 60 MET HE1 H 1 1.8620 0.0000 . 1 . . . . A 57 MET HE1 . 36546 1 697 . 1 . 1 60 60 MET HE2 H 1 1.8620 0.0000 . 1 . . . . A 57 MET HE2 . 36546 1 698 . 1 . 1 60 60 MET HE3 H 1 1.8620 0.0000 . 1 . . . . A 57 MET HE3 . 36546 1 699 . 1 . 1 60 60 MET C C 13 173.6630 0.0000 . 1 . . . . A 57 MET C . 36546 1 700 . 1 . 1 60 60 MET CA C 13 54.8810 0.0000 . 1 . . . . A 57 MET CA . 36546 1 701 . 1 . 1 60 60 MET CB C 13 36.8630 0.0000 . 1 . . . . A 57 MET CB . 36546 1 702 . 1 . 1 60 60 MET CG C 13 31.1400 0.0000 . 1 . . . . A 57 MET CG . 36546 1 703 . 1 . 1 60 60 MET CE C 13 17.5570 0.0000 . 1 . . . . A 57 MET CE . 36546 1 704 . 1 . 1 60 60 MET N N 15 125.7710 0.0000 . 1 . . . . A 57 MET N . 36546 1 705 . 1 . 1 61 61 ILE H H 1 8.8410 0.0000 . 1 . . . . A 58 ILE H . 36546 1 706 . 1 . 1 61 61 ILE HA H 1 4.9190 0.0000 . 1 . . . . A 58 ILE HA . 36546 1 707 . 1 . 1 61 61 ILE HB H 1 1.7140 0.0000 . 1 . . . . A 58 ILE HB . 36546 1 708 . 1 . 1 61 61 ILE HG12 H 1 1.0480 0.0000 . 2 . . . . A 58 ILE HG12 . 36546 1 709 . 1 . 1 61 61 ILE HG13 H 1 1.7530 0.0000 . 2 . . . . A 58 ILE HG13 . 36546 1 710 . 1 . 1 61 61 ILE HG21 H 1 0.9670 0.0000 . 1 . . . . A 58 ILE HG21 . 36546 1 711 . 1 . 1 61 61 ILE HG22 H 1 0.9670 0.0000 . 1 . . . . A 58 ILE HG22 . 36546 1 712 . 1 . 1 61 61 ILE HG23 H 1 0.9670 0.0000 . 1 . . . . A 58 ILE HG23 . 36546 1 713 . 1 . 1 61 61 ILE HD11 H 1 0.8520 0.0000 . 1 . . . . A 58 ILE HD11 . 36546 1 714 . 1 . 1 61 61 ILE HD12 H 1 0.8520 0.0000 . 1 . . . . A 58 ILE HD12 . 36546 1 715 . 1 . 1 61 61 ILE HD13 H 1 0.8520 0.0000 . 1 . . . . A 58 ILE HD13 . 36546 1 716 . 1 . 1 61 61 ILE C C 13 173.0870 0.0000 . 1 . . . . A 58 ILE C . 36546 1 717 . 1 . 1 61 61 ILE CA C 13 60.4510 0.0000 . 1 . . . . A 58 ILE CA . 36546 1 718 . 1 . 1 61 61 ILE CB C 13 42.8360 0.0000 . 1 . . . . A 58 ILE CB . 36546 1 719 . 1 . 1 61 61 ILE CG1 C 13 28.1210 0.0000 . 1 . . . . A 58 ILE CG1 . 36546 1 720 . 1 . 1 61 61 ILE CG2 C 13 17.5570 0.0000 . 1 . . . . A 58 ILE CG2 . 36546 1 721 . 1 . 1 61 61 ILE CD1 C 13 15.0420 0.0000 . 1 . . . . A 58 ILE CD1 . 36546 1 722 . 1 . 1 61 61 ILE N N 15 118.7260 0.0000 . 1 . . . . A 58 ILE N . 36546 1 723 . 1 . 1 62 62 ARG H H 1 9.1670 0.0000 . 1 . . . . A 59 ARG H . 36546 1 724 . 1 . 1 62 62 ARG HA H 1 5.1290 0.0000 . 1 . . . . A 59 ARG HA . 36546 1 725 . 1 . 1 62 62 ARG HB2 H 1 1.4880 0.0000 . 1 . . . . A 59 ARG HB2 . 36546 1 726 . 1 . 1 62 62 ARG HB3 H 1 1.5510 0.0000 . 1 . . . . A 59 ARG HB3 . 36546 1 727 . 1 . 1 62 62 ARG HG2 H 1 0.6730 0.0000 . 2 . . . . A 59 ARG HG2 . 36546 1 728 . 1 . 1 62 62 ARG HG3 H 1 1.0380 0.0000 . 2 . . . . A 59 ARG HG3 . 36546 1 729 . 1 . 1 62 62 ARG HD3 H 1 2.8880 0.0000 . 2 . . . . A 59 ARG HD3 . 36546 1 730 . 1 . 1 62 62 ARG C C 13 174.2600 0.0000 . 1 . . . . A 59 ARG C . 36546 1 731 . 1 . 1 62 62 ARG CA C 13 54.4010 0.0000 . 1 . . . . A 59 ARG CA . 36546 1 732 . 1 . 1 62 62 ARG CB C 13 32.9090 0.0000 . 1 . . . . A 59 ARG CB . 36546 1 733 . 1 . 1 62 62 ARG CG C 13 27.6180 0.0000 . 1 . . . . A 59 ARG CG . 36546 1 734 . 1 . 1 62 62 ARG CD C 13 43.7170 0.0000 . 1 . . . . A 59 ARG CD . 36546 1 735 . 1 . 1 62 62 ARG N N 15 128.0240 0.0000 . 1 . . . . A 59 ARG N . 36546 1 736 . 1 . 1 63 63 VAL H H 1 9.3210 0.0000 . 1 . . . . A 60 VAL H . 36546 1 737 . 1 . 1 63 63 VAL HA H 1 4.5150 0.0000 . 1 . . . . A 60 VAL HA . 36546 1 738 . 1 . 1 63 63 VAL HB H 1 2.0770 0.0000 . 1 . . . . A 60 VAL HB . 36546 1 739 . 1 . 1 63 63 VAL HG11 H 1 0.9070 0.0000 . 1 . . . . A 60 VAL HG11 . 36546 1 740 . 1 . 1 63 63 VAL HG12 H 1 0.9070 0.0000 . 1 . . . . A 60 VAL HG12 . 36546 1 741 . 1 . 1 63 63 VAL HG13 H 1 0.9070 0.0000 . 1 . . . . A 60 VAL HG13 . 36546 1 742 . 1 . 1 63 63 VAL HG21 H 1 0.9300 0.0000 . 1 . . . . A 60 VAL HG21 . 36546 1 743 . 1 . 1 63 63 VAL HG22 H 1 0.9300 0.0000 . 1 . . . . A 60 VAL HG22 . 36546 1 744 . 1 . 1 63 63 VAL HG23 H 1 0.9300 0.0000 . 1 . . . . A 60 VAL HG23 . 36546 1 745 . 1 . 1 63 63 VAL C C 13 174.6340 0.0000 . 1 . . . . A 60 VAL C . 36546 1 746 . 1 . 1 63 63 VAL CA C 13 61.2500 0.0000 . 1 . . . . A 60 VAL CA . 36546 1 747 . 1 . 1 63 63 VAL CB C 13 33.7330 0.0000 . 1 . . . . A 60 VAL CB . 36546 1 748 . 1 . 1 63 63 VAL CG1 C 13 22.0850 0.0000 . 1 . . . . A 60 VAL CG1 . 36546 1 749 . 1 . 1 63 63 VAL CG2 C 13 21.0780 0.0000 . 1 . . . . A 60 VAL CG2 . 36546 1 750 . 1 . 1 63 63 VAL N N 15 127.1800 0.0000 . 1 . . . . A 60 VAL N . 36546 1 751 . 1 . 1 64 64 PHE H H 1 8.7730 0.0000 . 1 . . . . A 61 PHE H . 36546 1 752 . 1 . 1 64 64 PHE HA H 1 4.9610 0.0000 . 1 . . . . A 61 PHE HA . 36546 1 753 . 1 . 1 64 64 PHE HB2 H 1 2.9320 0.0000 . 1 . . . . A 61 PHE HB2 . 36546 1 754 . 1 . 1 64 64 PHE HB3 H 1 2.8790 0.0000 . 1 . . . . A 61 PHE HB3 . 36546 1 755 . 1 . 1 64 64 PHE HD1 H 1 7.0330 0.0000 . 3 . . . . A 61 PHE HD1 . 36546 1 756 . 1 . 1 64 64 PHE HE1 H 1 7.0960 0.0000 . 3 . . . . A 61 PHE HE1 . 36546 1 757 . 1 . 1 64 64 PHE HZ H 1 7.1130 0.0000 . 1 . . . . A 61 PHE HZ . 36546 1 758 . 1 . 1 64 64 PHE C C 13 175.3930 0.0000 . 1 . . . . A 61 PHE C . 36546 1 759 . 1 . 1 64 64 PHE CA C 13 57.7800 0.0000 . 1 . . . . A 61 PHE CA . 36546 1 760 . 1 . 1 64 64 PHE CB C 13 39.8290 0.0000 . 1 . . . . A 61 PHE CB . 36546 1 761 . 1 . 1 64 64 PHE CD1 C 13 132.3340 0.0000 . 3 . . . . A 61 PHE CD1 . 36546 1 762 . 1 . 1 64 64 PHE CE1 C 13 131.1510 0.0000 . 3 . . . . A 61 PHE CE1 . 36546 1 763 . 1 . 1 64 64 PHE CZ C 13 129.7250 0.0000 . 1 . . . . A 61 PHE CZ . 36546 1 764 . 1 . 1 64 64 PHE N N 15 127.0910 0.0000 . 1 . . . . A 61 PHE N . 36546 1 765 . 1 . 1 65 65 ILE H H 1 8.4630 0.0000 . 1 . . . . A 62 ILE H . 36546 1 766 . 1 . 1 65 65 ILE HA H 1 5.2540 0.0000 . 1 . . . . A 62 ILE HA . 36546 1 767 . 1 . 1 65 65 ILE HB H 1 1.8100 0.0000 . 1 . . . . A 62 ILE HB . 36546 1 768 . 1 . 1 65 65 ILE HG12 H 1 1.0720 0.0000 . 2 . . . . A 62 ILE HG12 . 36546 1 769 . 1 . 1 65 65 ILE HG13 H 1 1.3320 0.0000 . 2 . . . . A 62 ILE HG13 . 36546 1 770 . 1 . 1 65 65 ILE HG21 H 1 0.9040 0.0000 . 1 . . . . A 62 ILE HG21 . 36546 1 771 . 1 . 1 65 65 ILE HG22 H 1 0.9040 0.0000 . 1 . . . . A 62 ILE HG22 . 36546 1 772 . 1 . 1 65 65 ILE HG23 H 1 0.9040 0.0000 . 1 . . . . A 62 ILE HG23 . 36546 1 773 . 1 . 1 65 65 ILE HD11 H 1 0.6970 0.0000 . 1 . . . . A 62 ILE HD11 . 36546 1 774 . 1 . 1 65 65 ILE HD12 H 1 0.6970 0.0000 . 1 . . . . A 62 ILE HD12 . 36546 1 775 . 1 . 1 65 65 ILE HD13 H 1 0.6970 0.0000 . 1 . . . . A 62 ILE HD13 . 36546 1 776 . 1 . 1 65 65 ILE C C 13 175.9790 0.0000 . 1 . . . . A 62 ILE C . 36546 1 777 . 1 . 1 65 65 ILE CA C 13 58.5330 0.0000 . 1 . . . . A 62 ILE CA . 36546 1 778 . 1 . 1 65 65 ILE CB C 13 40.1170 0.0000 . 1 . . . . A 62 ILE CB . 36546 1 779 . 1 . 1 65 65 ILE CG1 C 13 26.6120 0.0000 . 1 . . . . A 62 ILE CG1 . 36546 1 780 . 1 . 1 65 65 ILE CG2 C 13 17.5570 0.0000 . 1 . . . . A 62 ILE CG2 . 36546 1 781 . 1 . 1 65 65 ILE CD1 C 13 13.0300 0.0000 . 1 . . . . A 62 ILE CD1 . 36546 1 782 . 1 . 1 65 65 ILE N N 15 122.3870 0.0000 . 1 . . . . A 62 ILE N . 36546 1 783 . 1 . 1 66 66 VAL H H 1 8.8340 0.0000 . 1 . . . . A 63 VAL H . 36546 1 784 . 1 . 1 66 66 VAL HA H 1 4.1080 0.0000 . 1 . . . . A 63 VAL HA . 36546 1 785 . 1 . 1 66 66 VAL HB H 1 1.9270 0.0000 . 1 . . . . A 63 VAL HB . 36546 1 786 . 1 . 1 66 66 VAL HG11 H 1 0.8520 0.0000 . 1 . . . . A 63 VAL HG11 . 36546 1 787 . 1 . 1 66 66 VAL HG12 H 1 0.8520 0.0000 . 1 . . . . A 63 VAL HG12 . 36546 1 788 . 1 . 1 66 66 VAL HG13 H 1 0.8520 0.0000 . 1 . . . . A 63 VAL HG13 . 36546 1 789 . 1 . 1 66 66 VAL HG21 H 1 0.9160 0.0000 . 1 . . . . A 63 VAL HG21 . 36546 1 790 . 1 . 1 66 66 VAL HG22 H 1 0.9160 0.0000 . 1 . . . . A 63 VAL HG22 . 36546 1 791 . 1 . 1 66 66 VAL HG23 H 1 0.9160 0.0000 . 1 . . . . A 63 VAL HG23 . 36546 1 792 . 1 . 1 66 66 VAL C C 13 175.8880 0.0000 . 1 . . . . A 63 VAL C . 36546 1 793 . 1 . 1 66 66 VAL CA C 13 63.2140 0.0000 . 1 . . . . A 63 VAL CA . 36546 1 794 . 1 . 1 66 66 VAL CB C 13 32.6210 0.0000 . 1 . . . . A 63 VAL CB . 36546 1 795 . 1 . 1 66 66 VAL CG1 C 13 21.0780 0.0000 . 1 . . . . A 63 VAL CG1 . 36546 1 796 . 1 . 1 66 66 VAL CG2 C 13 21.0780 0.0000 . 1 . . . . A 63 VAL CG2 . 36546 1 797 . 1 . 1 66 66 VAL N N 15 126.6200 0.0000 . 1 . . . . A 63 VAL N . 36546 1 798 . 1 . 1 67 67 VAL H H 1 8.4410 0.0000 . 1 . . . . A 64 VAL H . 36546 1 799 . 1 . 1 67 67 VAL HA H 1 4.3860 0.0000 . 1 . . . . A 64 VAL HA . 36546 1 800 . 1 . 1 67 67 VAL HB H 1 2.1900 0.0000 . 1 . . . . A 64 VAL HB . 36546 1 801 . 1 . 1 67 67 VAL HG11 H 1 0.9360 0.0000 . 1 . . . . A 64 VAL HG11 . 36546 1 802 . 1 . 1 67 67 VAL HG12 H 1 0.9360 0.0000 . 1 . . . . A 64 VAL HG12 . 36546 1 803 . 1 . 1 67 67 VAL HG13 H 1 0.9360 0.0000 . 1 . . . . A 64 VAL HG13 . 36546 1 804 . 1 . 1 67 67 VAL HG21 H 1 0.8620 0.0000 . 1 . . . . A 64 VAL HG21 . 36546 1 805 . 1 . 1 67 67 VAL HG22 H 1 0.8620 0.0000 . 1 . . . . A 64 VAL HG22 . 36546 1 806 . 1 . 1 67 67 VAL HG23 H 1 0.8620 0.0000 . 1 . . . . A 64 VAL HG23 . 36546 1 807 . 1 . 1 67 67 VAL C C 13 176.1110 0.0000 . 1 . . . . A 64 VAL C . 36546 1 808 . 1 . 1 67 67 VAL CA C 13 61.7300 0.0000 . 1 . . . . A 64 VAL CA . 36546 1 809 . 1 . 1 67 67 VAL CB C 13 33.4860 0.0000 . 1 . . . . A 64 VAL CB . 36546 1 810 . 1 . 1 67 67 VAL CG1 C 13 21.5820 0.0000 . 1 . . . . A 64 VAL CG1 . 36546 1 811 . 1 . 1 67 67 VAL CG2 C 13 19.5690 0.0000 . 1 . . . . A 64 VAL CG2 . 36546 1 812 . 1 . 1 67 67 VAL N N 15 125.6500 0.0000 . 1 . . . . A 64 VAL N . 36546 1 813 . 1 . 1 68 68 LYS H H 1 8.1590 0.0000 . 1 . . . . A 65 LYS H . 36546 1 814 . 1 . 1 68 68 LYS HA H 1 4.4270 0.0000 . 1 . . . . A 65 LYS HA . 36546 1 815 . 1 . 1 68 68 LYS HB2 H 1 1.6030 0.0000 . 2 . . . . A 65 LYS HB2 . 36546 1 816 . 1 . 1 68 68 LYS HB3 H 1 1.7340 0.0000 . 2 . . . . A 65 LYS HB3 . 36546 1 817 . 1 . 1 68 68 LYS HG3 H 1 1.3920 0.0000 . 2 . . . . A 65 LYS HG3 . 36546 1 818 . 1 . 1 68 68 LYS HD3 H 1 1.6410 0.0000 . 2 . . . . A 65 LYS HD3 . 36546 1 819 . 1 . 1 68 68 LYS HE3 H 1 2.9510 0.0000 . 2 . . . . A 65 LYS HE3 . 36546 1 820 . 1 . 1 68 68 LYS C C 13 175.6250 0.0000 . 1 . . . . A 65 LYS C . 36546 1 821 . 1 . 1 68 68 LYS CA C 13 55.5650 0.0000 . 1 . . . . A 65 LYS CA . 36546 1 822 . 1 . 1 68 68 LYS CB C 13 34.1450 0.0000 . 1 . . . . A 65 LYS CB . 36546 1 823 . 1 . 1 68 68 LYS CG C 13 24.6000 0.0000 . 1 . . . . A 65 LYS CG . 36546 1 824 . 1 . 1 68 68 LYS CD C 13 29.1280 0.0000 . 1 . . . . A 65 LYS CD . 36546 1 825 . 1 . 1 68 68 LYS CE C 13 42.2080 0.0000 . 1 . . . . A 65 LYS CE . 36546 1 826 . 1 . 1 68 68 LYS N N 15 123.4440 0.0000 . 1 . . . . A 65 LYS N . 36546 1 827 . 1 . 1 69 69 GLU H H 1 8.6110 0.0000 . 1 . . . . A 66 GLU H . 36546 1 828 . 1 . 1 69 69 GLU HA H 1 4.1000 0.0000 . 1 . . . . A 66 GLU HA . 36546 1 829 . 1 . 1 69 69 GLU HB3 H 1 1.9520 0.0000 . 2 . . . . A 66 GLU HB3 . 36546 1 830 . 1 . 1 69 69 GLU HG3 H 1 2.2220 0.0000 . 2 . . . . A 66 GLU HG3 . 36546 1 831 . 1 . 1 69 69 GLU C C 13 177.4660 0.0000 . 1 . . . . A 66 GLU C . 36546 1 832 . 1 . 1 69 69 GLU CA C 13 58.1910 0.0000 . 1 . . . . A 66 GLU CA . 36546 1 833 . 1 . 1 69 69 GLU CB C 13 29.4490 0.0000 . 1 . . . . A 66 GLU CB . 36546 1 834 . 1 . 1 69 69 GLU CG C 13 36.1710 0.0000 . 1 . . . . A 66 GLU CG . 36546 1 835 . 1 . 1 69 69 GLU N N 15 123.9860 0.0000 . 1 . . . . A 66 GLU N . 36546 1 836 . 1 . 1 70 70 GLY H H 1 8.8770 0.0000 . 1 . . . . A 67 GLY H . 36546 1 837 . 1 . 1 70 70 GLY HA2 H 1 3.7590 0.0000 . 2 . . . . A 67 GLY HA2 . 36546 1 838 . 1 . 1 70 70 GLY HA3 H 1 4.3100 0.0000 . 2 . . . . A 67 GLY HA3 . 36546 1 839 . 1 . 1 70 70 GLY C C 13 174.2900 0.0000 . 1 . . . . A 67 GLY C . 36546 1 840 . 1 . 1 70 70 GLY CA C 13 45.2690 0.0000 . 1 . . . . A 67 GLY CA . 36546 1 841 . 1 . 1 70 70 GLY N N 15 114.6880 0.0000 . 1 . . . . A 67 GLY N . 36546 1 842 . 1 . 1 71 71 GLU H H 1 7.9810 0.0000 . 1 . . . . A 68 GLU H . 36546 1 843 . 1 . 1 71 71 GLU HA H 1 4.5610 0.0000 . 1 . . . . A 68 GLU HA . 36546 1 844 . 1 . 1 71 71 GLU HB2 H 1 2.0260 0.0000 . 2 . . . . A 68 GLU HB2 . 36546 1 845 . 1 . 1 71 71 GLU HB3 H 1 2.0560 0.0000 . 2 . . . . A 68 GLU HB3 . 36546 1 846 . 1 . 1 71 71 GLU HG2 H 1 2.1480 0.0000 . 2 . . . . A 68 GLU HG2 . 36546 1 847 . 1 . 1 71 71 GLU HG3 H 1 2.1770 0.0000 . 2 . . . . A 68 GLU HG3 . 36546 1 848 . 1 . 1 71 71 GLU C C 13 176.0600 0.0000 . 1 . . . . A 68 GLU C . 36546 1 849 . 1 . 1 71 71 GLU CA C 13 55.1770 0.0000 . 1 . . . . A 68 GLU CA . 36546 1 850 . 1 . 1 71 71 GLU CB C 13 31.0550 0.0000 . 1 . . . . A 68 GLU CB . 36546 1 851 . 1 . 1 71 71 GLU CG C 13 37.1770 0.0000 . 1 . . . . A 68 GLU CG . 36546 1 852 . 1 . 1 71 71 GLU N N 15 121.1940 0.0000 . 1 . . . . A 68 GLU N . 36546 1 853 . 1 . 1 72 72 ASP H H 1 8.6210 0.0000 . 1 . . . . A 69 ASP H . 36546 1 854 . 1 . 1 72 72 ASP HA H 1 4.8420 0.0000 . 1 . . . . A 69 ASP HA . 36546 1 855 . 1 . 1 72 72 ASP HB2 H 1 2.4620 0.0000 . 2 . . . . A 69 ASP HB2 . 36546 1 856 . 1 . 1 72 72 ASP HB3 H 1 2.6550 0.0000 . 2 . . . . A 69 ASP HB3 . 36546 1 857 . 1 . 1 72 72 ASP C C 13 174.4830 0.0000 . 1 . . . . A 69 ASP C . 36546 1 858 . 1 . 1 72 72 ASP CA C 13 53.0770 0.0000 . 1 . . . . A 69 ASP CA . 36546 1 859 . 1 . 1 72 72 ASP CB C 13 39.9520 0.0000 . 1 . . . . A 69 ASP CB . 36546 1 860 . 1 . 1 72 72 ASP N N 15 123.9600 0.0000 . 1 . . . . A 69 ASP N . 36546 1 861 . 1 . 1 73 73 PRO HA H 1 4.7480 0.0000 . 1 . . . . A 70 PRO HA . 36546 1 862 . 1 . 1 73 73 PRO HB2 H 1 1.9700 0.0000 . 2 . . . . A 70 PRO HB2 . 36546 1 863 . 1 . 1 73 73 PRO HB3 H 1 2.2790 0.0000 . 2 . . . . A 70 PRO HB3 . 36546 1 864 . 1 . 1 73 73 PRO HG2 H 1 1.9680 0.0000 . 2 . . . . A 70 PRO HG2 . 36546 1 865 . 1 . 1 73 73 PRO HG3 H 1 2.1250 0.0000 . 2 . . . . A 70 PRO HG3 . 36546 1 866 . 1 . 1 73 73 PRO HD2 H 1 3.6830 0.0000 . 2 . . . . A 70 PRO HD2 . 36546 1 867 . 1 . 1 73 73 PRO HD3 H 1 3.9150 0.0000 . 2 . . . . A 70 PRO HD3 . 36546 1 868 . 1 . 1 73 73 PRO C C 13 177.1400 0.0000 . 1 . . . . A 70 PRO C . 36546 1 869 . 1 . 1 73 73 PRO CA C 13 63.3360 0.0000 . 1 . . . . A 70 PRO CA . 36546 1 870 . 1 . 1 73 73 PRO CB C 13 32.6490 0.0000 . 1 . . . . A 70 PRO CB . 36546 1 871 . 1 . 1 73 73 PRO CG C 13 28.1210 0.0000 . 1 . . . . A 70 PRO CG . 36546 1 872 . 1 . 1 73 73 PRO CD C 13 50.7590 0.0000 . 1 . . . . A 70 PRO CD . 36546 1 873 . 1 . 1 74 74 THR H H 1 8.7600 0.0000 . 1 . . . . A 71 THR H . 36546 1 874 . 1 . 1 74 74 THR HA H 1 4.6660 0.0000 . 1 . . . . A 71 THR HA . 36546 1 875 . 1 . 1 74 74 THR HB H 1 4.0150 0.0000 . 1 . . . . A 71 THR HB . 36546 1 876 . 1 . 1 74 74 THR HG21 H 1 1.1340 0.0000 . 1 . . . . A 71 THR HG21 . 36546 1 877 . 1 . 1 74 74 THR HG22 H 1 1.1340 0.0000 . 1 . . . . A 71 THR HG22 . 36546 1 878 . 1 . 1 74 74 THR HG23 H 1 1.1340 0.0000 . 1 . . . . A 71 THR HG23 . 36546 1 879 . 1 . 1 74 74 THR C C 13 173.0060 0.0000 . 1 . . . . A 71 THR C . 36546 1 880 . 1 . 1 74 74 THR CA C 13 61.5010 0.0000 . 1 . . . . A 71 THR CA . 36546 1 881 . 1 . 1 74 74 THR CB C 13 71.1740 0.0000 . 1 . . . . A 71 THR CB . 36546 1 882 . 1 . 1 74 74 THR CG2 C 13 20.5750 0.0000 . 1 . . . . A 71 THR CG2 . 36546 1 883 . 1 . 1 74 74 THR N N 15 119.2180 0.0000 . 1 . . . . A 71 THR N . 36546 1 884 . 1 . 1 75 75 SER H H 1 8.3740 0.0000 . 1 . . . . A 72 SER H . 36546 1 885 . 1 . 1 75 75 SER HA H 1 5.1900 0.0000 . 1 . . . . A 72 SER HA . 36546 1 886 . 1 . 1 75 75 SER HB2 H 1 2.8490 0.0000 . 1 . . . . A 72 SER HB2 . 36546 1 887 . 1 . 1 75 75 SER HB3 H 1 3.0680 0.0000 . 1 . . . . A 72 SER HB3 . 36546 1 888 . 1 . 1 75 75 SER C C 13 173.0870 0.0000 . 1 . . . . A 72 SER C . 36546 1 889 . 1 . 1 75 75 SER CA C 13 56.6380 0.0000 . 1 . . . . A 72 SER CA . 36546 1 890 . 1 . 1 75 75 SER CB C 13 65.8190 0.0000 . 1 . . . . A 72 SER CB . 36546 1 891 . 1 . 1 75 75 SER N N 15 117.1770 0.0000 . 1 . . . . A 72 SER N . 36546 1 892 . 1 . 1 76 76 LEU H H 1 8.7770 0.0000 . 1 . . . . A 73 LEU H . 36546 1 893 . 1 . 1 76 76 LEU HA H 1 4.6210 0.0000 . 1 . . . . A 73 LEU HA . 36546 1 894 . 1 . 1 76 76 LEU HB2 H 1 1.4210 0.0000 . 1 . . . . A 73 LEU HB2 . 36546 1 895 . 1 . 1 76 76 LEU HB3 H 1 0.9810 0.0000 . 1 . . . . A 73 LEU HB3 . 36546 1 896 . 1 . 1 76 76 LEU HG H 1 1.5140 0.0000 . 1 . . . . A 73 LEU HG . 36546 1 897 . 1 . 1 76 76 LEU HD11 H 1 0.7450 0.0000 . 1 . . . . A 73 LEU HD11 . 36546 1 898 . 1 . 1 76 76 LEU HD12 H 1 0.7450 0.0000 . 1 . . . . A 73 LEU HD12 . 36546 1 899 . 1 . 1 76 76 LEU HD13 H 1 0.7450 0.0000 . 1 . . . . A 73 LEU HD13 . 36546 1 900 . 1 . 1 76 76 LEU HD21 H 1 0.8230 0.0000 . 1 . . . . A 73 LEU HD21 . 36546 1 901 . 1 . 1 76 76 LEU HD22 H 1 0.8230 0.0000 . 1 . . . . A 73 LEU HD22 . 36546 1 902 . 1 . 1 76 76 LEU HD23 H 1 0.8230 0.0000 . 1 . . . . A 73 LEU HD23 . 36546 1 903 . 1 . 1 76 76 LEU C C 13 174.8970 0.0000 . 1 . . . . A 73 LEU C . 36546 1 904 . 1 . 1 76 76 LEU CA C 13 53.6020 0.0000 . 1 . . . . A 73 LEU CA . 36546 1 905 . 1 . 1 76 76 LEU CB C 13 45.1830 0.0000 . 1 . . . . A 73 LEU CB . 36546 1 906 . 1 . 1 76 76 LEU CG C 13 27.1150 0.0000 . 1 . . . . A 73 LEU CG . 36546 1 907 . 1 . 1 76 76 LEU CD1 C 13 26.1090 0.0000 . 1 . . . . A 73 LEU CD1 . 36546 1 908 . 1 . 1 76 76 LEU CD2 C 13 23.5940 0.0000 . 1 . . . . A 73 LEU CD2 . 36546 1 909 . 1 . 1 76 76 LEU N N 15 123.8360 0.0000 . 1 . . . . A 73 LEU N . 36546 1 910 . 1 . 1 77 77 VAL H H 1 8.1400 0.0000 . 1 . . . . A 74 VAL H . 36546 1 911 . 1 . 1 77 77 VAL HA H 1 4.7580 0.0000 . 1 . . . . A 74 VAL HA . 36546 1 912 . 1 . 1 77 77 VAL HB H 1 1.6320 0.0000 . 1 . . . . A 74 VAL HB . 36546 1 913 . 1 . 1 77 77 VAL HG11 H 1 0.3580 0.0000 . 1 . . . . A 74 VAL HG11 . 36546 1 914 . 1 . 1 77 77 VAL HG12 H 1 0.3580 0.0000 . 1 . . . . A 74 VAL HG12 . 36546 1 915 . 1 . 1 77 77 VAL HG13 H 1 0.3580 0.0000 . 1 . . . . A 74 VAL HG13 . 36546 1 916 . 1 . 1 77 77 VAL HG21 H 1 0.6040 0.0000 . 1 . . . . A 74 VAL HG21 . 36546 1 917 . 1 . 1 77 77 VAL HG22 H 1 0.6040 0.0000 . 1 . . . . A 74 VAL HG22 . 36546 1 918 . 1 . 1 77 77 VAL HG23 H 1 0.6040 0.0000 . 1 . . . . A 74 VAL HG23 . 36546 1 919 . 1 . 1 77 77 VAL C C 13 174.2200 0.0000 . 1 . . . . A 74 VAL C . 36546 1 920 . 1 . 1 77 77 VAL CA C 13 60.8620 0.0000 . 1 . . . . A 74 VAL CA . 36546 1 921 . 1 . 1 77 77 VAL CB C 13 33.2800 0.0000 . 1 . . . . A 74 VAL CB . 36546 1 922 . 1 . 1 77 77 VAL CG1 C 13 21.5820 0.0000 . 1 . . . . A 74 VAL CG1 . 36546 1 923 . 1 . 1 77 77 VAL CG2 C 13 21.0780 0.0000 . 1 . . . . A 74 VAL CG2 . 36546 1 924 . 1 . 1 77 77 VAL N N 15 122.6700 0.0000 . 1 . . . . A 74 VAL N . 36546 1 925 . 1 . 1 78 78 PHE H H 1 8.7830 0.0000 . 1 . . . . A 75 PHE H . 36546 1 926 . 1 . 1 78 78 PHE HA H 1 5.1510 0.0000 . 1 . . . . A 75 PHE HA . 36546 1 927 . 1 . 1 78 78 PHE HB2 H 1 2.6470 0.0000 . 1 . . . . A 75 PHE HB2 . 36546 1 928 . 1 . 1 78 78 PHE HB3 H 1 2.4520 0.0000 . 1 . . . . A 75 PHE HB3 . 36546 1 929 . 1 . 1 78 78 PHE HD1 H 1 6.6850 0.0000 . 3 . . . . A 75 PHE HD1 . 36546 1 930 . 1 . 1 78 78 PHE HE1 H 1 6.3230 0.0000 . 3 . . . . A 75 PHE HE1 . 36546 1 931 . 1 . 1 78 78 PHE HZ H 1 6.3870 0.0000 . 1 . . . . A 75 PHE HZ . 36546 1 932 . 1 . 1 78 78 PHE C C 13 174.6750 0.0000 . 1 . . . . A 75 PHE C . 36546 1 933 . 1 . 1 78 78 PHE CA C 13 56.3190 0.0000 . 1 . . . . A 75 PHE CA . 36546 1 934 . 1 . 1 78 78 PHE CB C 13 41.2700 0.0000 . 1 . . . . A 75 PHE CB . 36546 1 935 . 1 . 1 78 78 PHE CD1 C 13 131.3930 0.0000 . 3 . . . . A 75 PHE CD1 . 36546 1 936 . 1 . 1 78 78 PHE CE1 C 13 131.1520 0.0000 . 3 . . . . A 75 PHE CE1 . 36546 1 937 . 1 . 1 78 78 PHE CZ C 13 128.1980 0.0000 . 1 . . . . A 75 PHE CZ . 36546 1 938 . 1 . 1 78 78 PHE N N 15 125.6560 0.0000 . 1 . . . . A 75 PHE N . 36546 1 939 . 1 . 1 79 79 HIS H H 1 9.5320 0.0000 . 1 . . . . A 76 HIS H . 36546 1 940 . 1 . 1 79 79 HIS HA H 1 4.9460 0.0000 . 1 . . . . A 76 HIS HA . 36546 1 941 . 1 . 1 79 79 HIS HB3 H 1 3.0330 0.0000 . 2 . . . . A 76 HIS HB3 . 36546 1 942 . 1 . 1 79 79 HIS HD2 H 1 6.8460 0.0000 . 1 . . . . A 76 HIS HD2 . 36546 1 943 . 1 . 1 79 79 HIS HE1 H 1 7.5640 0.0000 . 1 . . . . A 76 HIS HE1 . 36546 1 944 . 1 . 1 79 79 HIS C C 13 175.7160 0.0000 . 1 . . . . A 76 HIS C . 36546 1 945 . 1 . 1 79 79 HIS CA C 13 56.3650 0.0000 . 1 . . . . A 76 HIS CA . 36546 1 946 . 1 . 1 79 79 HIS CB C 13 33.9390 0.0000 . 1 . . . . A 76 HIS CB . 36546 1 947 . 1 . 1 79 79 HIS CD2 C 13 117.8720 0.0000 . 1 . . . . A 76 HIS CD2 . 36546 1 948 . 1 . 1 79 79 HIS CE1 C 13 138.9650 0.0000 . 1 . . . . A 76 HIS CE1 . 36546 1 949 . 1 . 1 79 79 HIS N N 15 123.1410 0.0000 . 1 . . . . A 76 HIS N . 36546 1 950 . 1 . 1 80 80 PHE H H 1 9.4960 0.0000 . 1 . . . . A 77 PHE H . 36546 1 951 . 1 . 1 80 80 PHE HA H 1 4.8560 0.0000 . 1 . . . . A 77 PHE HA . 36546 1 952 . 1 . 1 80 80 PHE HB2 H 1 2.5540 0.0000 . 1 . . . . A 77 PHE HB2 . 36546 1 953 . 1 . 1 80 80 PHE HB3 H 1 3.1440 0.0000 . 1 . . . . A 77 PHE HB3 . 36546 1 954 . 1 . 1 80 80 PHE HD1 H 1 7.4080 0.0000 . 3 . . . . A 77 PHE HD1 . 36546 1 955 . 1 . 1 80 80 PHE HE1 H 1 7.0430 0.0000 . 3 . . . . A 77 PHE HE1 . 36546 1 956 . 1 . 1 80 80 PHE HZ H 1 6.8450 0.0000 . 1 . . . . A 77 PHE HZ . 36546 1 957 . 1 . 1 80 80 PHE C C 13 175.6560 0.0000 . 1 . . . . A 77 PHE C . 36546 1 958 . 1 . 1 80 80 PHE CA C 13 56.8210 0.0000 . 1 . . . . A 77 PHE CA . 36546 1 959 . 1 . 1 80 80 PHE CB C 13 40.5290 0.0000 . 1 . . . . A 77 PHE CB . 36546 1 960 . 1 . 1 80 80 PHE CD1 C 13 132.8220 0.0000 . 3 . . . . A 77 PHE CD1 . 36546 1 961 . 1 . 1 80 80 PHE CE1 C 13 130.9450 0.0000 . 3 . . . . A 77 PHE CE1 . 36546 1 962 . 1 . 1 80 80 PHE CZ C 13 128.3950 0.0000 . 1 . . . . A 77 PHE CZ . 36546 1 963 . 1 . 1 80 80 PHE N N 15 119.5710 0.0000 . 1 . . . . A 77 PHE N . 36546 1 964 . 1 . 1 81 81 THR H H 1 8.1880 0.0000 . 1 . . . . A 78 THR H . 36546 1 965 . 1 . 1 81 81 THR HA H 1 3.9740 0.0000 . 1 . . . . A 78 THR HA . 36546 1 966 . 1 . 1 81 81 THR HB H 1 4.0600 0.0000 . 1 . . . . A 78 THR HB . 36546 1 967 . 1 . 1 81 81 THR HG21 H 1 1.3730 0.0000 . 1 . . . . A 78 THR HG21 . 36546 1 968 . 1 . 1 81 81 THR HG22 H 1 1.3730 0.0000 . 1 . . . . A 78 THR HG22 . 36546 1 969 . 1 . 1 81 81 THR HG23 H 1 1.3730 0.0000 . 1 . . . . A 78 THR HG23 . 36546 1 970 . 1 . 1 81 81 THR C C 13 174.5430 0.0000 . 1 . . . . A 78 THR C . 36546 1 971 . 1 . 1 81 81 THR CA C 13 64.7200 0.0000 . 1 . . . . A 78 THR CA . 36546 1 972 . 1 . 1 81 81 THR CB C 13 69.3200 0.0000 . 1 . . . . A 78 THR CB . 36546 1 973 . 1 . 1 81 81 THR CG2 C 13 23.0910 0.0000 . 1 . . . . A 78 THR CG2 . 36546 1 974 . 1 . 1 81 81 THR N N 15 120.1650 0.0000 . 1 . . . . A 78 THR N . 36546 1 975 . 1 . 1 82 82 GLY H H 1 9.5350 0.0000 . 1 . . . . A 79 GLY H . 36546 1 976 . 1 . 1 82 82 GLY HA2 H 1 3.8600 0.0000 . 2 . . . . A 79 GLY HA2 . 36546 1 977 . 1 . 1 82 82 GLY HA3 H 1 4.3660 0.0000 . 2 . . . . A 79 GLY HA3 . 36546 1 978 . 1 . 1 82 82 GLY C C 13 174.6240 0.0000 . 1 . . . . A 79 GLY C . 36546 1 979 . 1 . 1 82 82 GLY CA C 13 45.5430 0.0000 . 1 . . . . A 79 GLY CA . 36546 1 980 . 1 . 1 82 82 GLY N N 15 116.3780 0.0000 . 1 . . . . A 79 GLY N . 36546 1 981 . 1 . 1 83 83 THR H H 1 8.1330 0.0000 . 1 . . . . A 80 THR H . 36546 1 982 . 1 . 1 83 83 THR HA H 1 4.9850 0.0000 . 1 . . . . A 80 THR HA . 36546 1 983 . 1 . 1 83 83 THR HB H 1 4.3470 0.0000 . 1 . . . . A 80 THR HB . 36546 1 984 . 1 . 1 83 83 THR HG21 H 1 1.1270 0.0000 . 1 . . . . A 80 THR HG21 . 36546 1 985 . 1 . 1 83 83 THR HG22 H 1 1.1270 0.0000 . 1 . . . . A 80 THR HG22 . 36546 1 986 . 1 . 1 83 83 THR HG23 H 1 1.1270 0.0000 . 1 . . . . A 80 THR HG23 . 36546 1 987 . 1 . 1 83 83 THR C C 13 172.4190 0.0000 . 1 . . . . A 80 THR C . 36546 1 988 . 1 . 1 83 83 THR CA C 13 59.6520 0.0000 . 1 . . . . A 80 THR CA . 36546 1 989 . 1 . 1 83 83 THR CB C 13 69.1970 0.0000 . 1 . . . . A 80 THR CB . 36546 1 990 . 1 . 1 83 83 THR CG2 C 13 21.0780 0.0000 . 1 . . . . A 80 THR CG2 . 36546 1 991 . 1 . 1 83 83 THR N N 15 113.4680 0.0000 . 1 . . . . A 80 THR N . 36546 1 992 . 1 . 1 84 84 PRO HA H 1 4.4540 0.0000 . 1 . . . . A 81 PRO HA . 36546 1 993 . 1 . 1 84 84 PRO HB2 H 1 1.8190 0.0000 . 2 . . . . A 81 PRO HB2 . 36546 1 994 . 1 . 1 84 84 PRO HB3 H 1 2.3050 0.0000 . 2 . . . . A 81 PRO HB3 . 36546 1 995 . 1 . 1 84 84 PRO HG2 H 1 1.9680 0.0000 . 2 . . . . A 81 PRO HG2 . 36546 1 996 . 1 . 1 84 84 PRO HG3 H 1 2.1270 0.0000 . 2 . . . . A 81 PRO HG3 . 36546 1 997 . 1 . 1 84 84 PRO HD2 H 1 3.6780 0.0000 . 2 . . . . A 81 PRO HD2 . 36546 1 998 . 1 . 1 84 84 PRO HD3 H 1 3.9180 0.0000 . 2 . . . . A 81 PRO HD3 . 36546 1 999 . 1 . 1 84 84 PRO C C 13 177.1390 0.0000 . 1 . . . . A 81 PRO C . 36546 1 1000 . 1 . 1 84 84 PRO CA C 13 63.8390 0.0000 . 1 . . . . A 81 PRO CA . 36546 1 1001 . 1 . 1 84 84 PRO CB C 13 32.1460 0.0000 . 1 . . . . A 81 PRO CB . 36546 1 1002 . 1 . 1 84 84 PRO CG C 13 28.1210 0.0000 . 1 . . . . A 81 PRO CG . 36546 1 1003 . 1 . 1 84 84 PRO CD C 13 50.2560 0.0000 . 1 . . . . A 81 PRO CD . 36546 1 1004 . 1 . 1 85 85 ASN H H 1 9.1080 0.0000 . 1 . . . . A 82 ASN H . 36546 1 1005 . 1 . 1 85 85 ASN HA H 1 4.5120 0.0000 . 1 . . . . A 82 ASN HA . 36546 1 1006 . 1 . 1 85 85 ASN HB3 H 1 2.9030 0.0000 . 2 . . . . A 82 ASN HB3 . 36546 1 1007 . 1 . 1 85 85 ASN HD21 H 1 7.6180 0.0000 . 2 . . . . A 82 ASN HD21 . 36546 1 1008 . 1 . 1 85 85 ASN HD22 H 1 6.9140 0.0000 . 2 . . . . A 82 ASN HD22 . 36546 1 1009 . 1 . 1 85 85 ASN C C 13 175.2710 0.0000 . 1 . . . . A 82 ASN C . 36546 1 1010 . 1 . 1 85 85 ASN CA C 13 53.9220 0.0000 . 1 . . . . A 82 ASN CA . 36546 1 1011 . 1 . 1 85 85 ASN CB C 13 37.3570 0.0000 . 1 . . . . A 82 ASN CB . 36546 1 1012 . 1 . 1 85 85 ASN N N 15 119.1500 0.0000 . 1 . . . . A 82 ASN N . 36546 1 1013 . 1 . 1 85 85 ASN ND2 N 15 115.0400 0.0000 . 1 . . . . A 82 ASN ND2 . 36546 1 1014 . 1 . 1 86 86 ALA H H 1 7.3160 0.0000 . 1 . . . . A 83 ALA H . 36546 1 1015 . 1 . 1 86 86 ALA HA H 1 3.9140 0.0000 . 1 . . . . A 83 ALA HA . 36546 1 1016 . 1 . 1 86 86 ALA HB1 H 1 1.5300 0.0000 . 1 . . . . A 83 ALA HB1 . 36546 1 1017 . 1 . 1 86 86 ALA HB2 H 1 1.5300 0.0000 . 1 . . . . A 83 ALA HB2 . 36546 1 1018 . 1 . 1 86 86 ALA HB3 H 1 1.5300 0.0000 . 1 . . . . A 83 ALA HB3 . 36546 1 1019 . 1 . 1 86 86 ALA C C 13 179.0040 0.0000 . 1 . . . . A 83 ALA C . 36546 1 1020 . 1 . 1 86 86 ALA CA C 13 57.0950 0.0000 . 1 . . . . A 83 ALA CA . 36546 1 1021 . 1 . 1 86 86 ALA CB C 13 21.0460 0.0000 . 1 . . . . A 83 ALA CB . 36546 1 1022 . 1 . 1 86 86 ALA N N 15 119.9060 0.0000 . 1 . . . . A 83 ALA N . 36546 1 1023 . 1 . 1 87 87 ARG H H 1 8.5950 0.0000 . 1 . . . . A 84 ARG H . 36546 1 1024 . 1 . 1 87 87 ARG HA H 1 3.8510 0.0000 . 1 . . . . A 84 ARG HA . 36546 1 1025 . 1 . 1 87 87 ARG HB3 H 1 1.8330 0.0000 . 2 . . . . A 84 ARG HB3 . 36546 1 1026 . 1 . 1 87 87 ARG HG2 H 1 1.5440 0.0000 . 2 . . . . A 84 ARG HG2 . 36546 1 1027 . 1 . 1 87 87 ARG HG3 H 1 1.8200 0.0000 . 2 . . . . A 84 ARG HG3 . 36546 1 1028 . 1 . 1 87 87 ARG HD2 H 1 3.1590 0.0000 . 2 . . . . A 84 ARG HD2 . 36546 1 1029 . 1 . 1 87 87 ARG HD3 H 1 3.2930 0.0000 . 2 . . . . A 84 ARG HD3 . 36546 1 1030 . 1 . 1 87 87 ARG HE H 1 7.0800 0.0000 . 1 . . . . A 84 ARG HE . 36546 1 1031 . 1 . 1 87 87 ARG C C 13 177.5170 0.0000 . 1 . . . . A 84 ARG C . 36546 1 1032 . 1 . 1 87 87 ARG CA C 13 58.5110 0.0000 . 1 . . . . A 84 ARG CA . 36546 1 1033 . 1 . 1 87 87 ARG CB C 13 29.8610 0.0000 . 1 . . . . A 84 ARG CB . 36546 1 1034 . 1 . 1 87 87 ARG CG C 13 25.1030 0.0000 . 1 . . . . A 84 ARG CG . 36546 1 1035 . 1 . 1 87 87 ARG CD C 13 43.7170 0.0000 . 1 . . . . A 84 ARG CD . 36546 1 1036 . 1 . 1 87 87 ARG N N 15 117.9020 0.0000 . 1 . . . . A 84 ARG N . 36546 1 1037 . 1 . 1 87 87 ARG NE N 15 85.8200 0.0000 . 1 . . . . A 84 ARG NE . 36546 1 1038 . 1 . 1 88 88 GLU H H 1 8.8100 0.0000 . 1 . . . . A 85 GLU H . 36546 1 1039 . 1 . 1 88 88 GLU HA H 1 4.0800 0.0000 . 1 . . . . A 85 GLU HA . 36546 1 1040 . 1 . 1 88 88 GLU HB2 H 1 1.8930 0.0000 . 2 . . . . A 85 GLU HB2 . 36546 1 1041 . 1 . 1 88 88 GLU HB3 H 1 1.9890 0.0000 . 2 . . . . A 85 GLU HB3 . 36546 1 1042 . 1 . 1 88 88 GLU HG2 H 1 2.2210 0.0000 . 2 . . . . A 85 GLU HG2 . 36546 1 1043 . 1 . 1 88 88 GLU HG3 H 1 2.3600 0.0000 . 2 . . . . A 85 GLU HG3 . 36546 1 1044 . 1 . 1 88 88 GLU C C 13 180.2680 0.0000 . 1 . . . . A 85 GLU C . 36546 1 1045 . 1 . 1 88 88 GLU CA C 13 60.2460 0.0000 . 1 . . . . A 85 GLU CA . 36546 1 1046 . 1 . 1 88 88 GLU CB C 13 28.8310 0.0000 . 1 . . . . A 85 GLU CB . 36546 1 1047 . 1 . 1 88 88 GLU CG C 13 37.1770 0.0000 . 1 . . . . A 85 GLU CG . 36546 1 1048 . 1 . 1 88 88 GLU N N 15 121.7820 0.0000 . 1 . . . . A 85 GLU N . 36546 1 1049 . 1 . 1 89 89 ASN H H 1 8.8760 0.0000 . 1 . . . . A 86 ASN H . 36546 1 1050 . 1 . 1 89 89 ASN HA H 1 4.5820 0.0000 . 1 . . . . A 86 ASN HA . 36546 1 1051 . 1 . 1 89 89 ASN HB2 H 1 2.9430 0.0000 . 1 . . . . A 86 ASN HB2 . 36546 1 1052 . 1 . 1 89 89 ASN HB3 H 1 2.3940 0.0000 . 1 . . . . A 86 ASN HB3 . 36546 1 1053 . 1 . 1 89 89 ASN HD21 H 1 8.0200 0.0000 . 2 . . . . A 86 ASN HD21 . 36546 1 1054 . 1 . 1 89 89 ASN HD22 H 1 7.1360 0.0000 . 2 . . . . A 86 ASN HD22 . 36546 1 1055 . 1 . 1 89 89 ASN C C 13 176.4350 0.0000 . 1 . . . . A 86 ASN C . 36546 1 1056 . 1 . 1 89 89 ASN CA C 13 55.7710 0.0000 . 1 . . . . A 86 ASN CA . 36546 1 1057 . 1 . 1 89 89 ASN CB C 13 37.6040 0.0000 . 1 . . . . A 86 ASN CB . 36546 1 1058 . 1 . 1 89 89 ASN N N 15 120.2260 0.0000 . 1 . . . . A 86 ASN N . 36546 1 1059 . 1 . 1 89 89 ASN ND2 N 15 116.0180 0.0000 . 1 . . . . A 86 ASN ND2 . 36546 1 1060 . 1 . 1 90 90 CYS H H 1 8.2440 0.0000 . 1 . . . . A 87 CYS H . 36546 1 1061 . 1 . 1 90 90 CYS HA H 1 2.7430 0.0000 . 1 . . . . A 87 CYS HA . 36546 1 1062 . 1 . 1 90 90 CYS HB2 H 1 1.6000 0.0000 . 1 . . . . A 87 CYS HB2 . 36546 1 1063 . 1 . 1 90 90 CYS HB3 H 1 2.4800 0.0000 . 1 . . . . A 87 CYS HB3 . 36546 1 1064 . 1 . 1 90 90 CYS C C 13 177.8100 0.0000 . 1 . . . . A 87 CYS C . 36546 1 1065 . 1 . 1 90 90 CYS CA C 13 62.0040 0.0000 . 1 . . . . A 87 CYS CA . 36546 1 1066 . 1 . 1 90 90 CYS CB C 13 26.7720 0.0000 . 1 . . . . A 87 CYS CB . 36546 1 1067 . 1 . 1 90 90 CYS N N 15 123.1400 0.0000 . 1 . . . . A 87 CYS N . 36546 1 1068 . 1 . 1 91 91 ASP H H 1 8.6050 0.0000 . 1 . . . . A 88 ASP H . 36546 1 1069 . 1 . 1 91 91 ASP HA H 1 4.3260 0.0000 . 1 . . . . A 88 ASP HA . 36546 1 1070 . 1 . 1 91 91 ASP HB2 H 1 2.5350 0.0000 . 1 . . . . A 88 ASP HB2 . 36546 1 1071 . 1 . 1 91 91 ASP HB3 H 1 2.6550 0.0000 . 1 . . . . A 88 ASP HB3 . 36546 1 1072 . 1 . 1 91 91 ASP CA C 13 57.8440 0.0000 . 1 . . . . A 88 ASP CA . 36546 1 1073 . 1 . 1 91 91 ASP CB C 13 39.5820 0.0000 . 1 . . . . A 88 ASP CB . 36546 1 1074 . 1 . 1 91 91 ASP N N 15 124.0740 0.0000 . 1 . . . . A 88 ASP N . 36546 1 1075 . 1 . 1 92 92 MET H H 1 8.0720 0.0000 . 1 . . . . A 89 MET H . 36546 1 1076 . 1 . 1 92 92 MET HA H 1 4.2430 0.0000 . 1 . . . . A 89 MET HA . 36546 1 1077 . 1 . 1 92 92 MET HB2 H 1 2.1900 0.0000 . 1 . . . . A 89 MET HB2 . 36546 1 1078 . 1 . 1 92 92 MET HB3 H 1 2.3290 0.0000 . 1 . . . . A 89 MET HB3 . 36546 1 1079 . 1 . 1 92 92 MET HG3 H 1 2.7250 0.0000 . 2 . . . . A 89 MET HG3 . 36546 1 1080 . 1 . 1 92 92 MET HE1 H 1 2.0580 0.0000 . 1 . . . . A 89 MET HE1 . 36546 1 1081 . 1 . 1 92 92 MET HE2 H 1 2.0580 0.0000 . 1 . . . . A 89 MET HE2 . 36546 1 1082 . 1 . 1 92 92 MET HE3 H 1 2.0580 0.0000 . 1 . . . . A 89 MET HE3 . 36546 1 1083 . 1 . 1 92 92 MET C C 13 178.6190 0.0000 . 1 . . . . A 89 MET C . 36546 1 1084 . 1 . 1 92 92 MET CA C 13 59.2870 0.0000 . 1 . . . . A 89 MET CA . 36546 1 1085 . 1 . 1 92 92 MET CB C 13 31.8380 0.0000 . 1 . . . . A 89 MET CB . 36546 1 1086 . 1 . 1 92 92 MET CG C 13 31.6430 0.0000 . 1 . . . . A 89 MET CG . 36546 1 1087 . 1 . 1 92 92 MET CE C 13 16.5510 0.0000 . 1 . . . . A 89 MET CE . 36546 1 1088 . 1 . 1 92 92 MET N N 15 122.9200 0.0000 . 1 . . . . A 89 MET N . 36546 1 1089 . 1 . 1 93 93 ILE H H 1 8.3670 0.0000 . 1 . . . . A 90 ILE H . 36546 1 1090 . 1 . 1 93 93 ILE HA H 1 3.6550 0.0000 . 1 . . . . A 90 ILE HA . 36546 1 1091 . 1 . 1 93 93 ILE HB H 1 2.0770 0.0000 . 1 . . . . A 90 ILE HB . 36546 1 1092 . 1 . 1 93 93 ILE HG12 H 1 1.2810 0.0000 . 2 . . . . A 90 ILE HG12 . 36546 1 1093 . 1 . 1 93 93 ILE HG13 H 1 1.7050 0.0000 . 2 . . . . A 90 ILE HG13 . 36546 1 1094 . 1 . 1 93 93 ILE HG21 H 1 0.7580 0.0000 . 1 . . . . A 90 ILE HG21 . 36546 1 1095 . 1 . 1 93 93 ILE HG22 H 1 0.7580 0.0000 . 1 . . . . A 90 ILE HG22 . 36546 1 1096 . 1 . 1 93 93 ILE HG23 H 1 0.7580 0.0000 . 1 . . . . A 90 ILE HG23 . 36546 1 1097 . 1 . 1 93 93 ILE HD11 H 1 0.5690 0.0000 . 1 . . . . A 90 ILE HD11 . 36546 1 1098 . 1 . 1 93 93 ILE HD12 H 1 0.5690 0.0000 . 1 . . . . A 90 ILE HD12 . 36546 1 1099 . 1 . 1 93 93 ILE HD13 H 1 0.5690 0.0000 . 1 . . . . A 90 ILE HD13 . 36546 1 1100 . 1 . 1 93 93 ILE C C 13 177.4660 0.0000 . 1 . . . . A 90 ILE C . 36546 1 1101 . 1 . 1 93 93 ILE CA C 13 62.0490 0.0000 . 1 . . . . A 90 ILE CA . 36546 1 1102 . 1 . 1 93 93 ILE CB C 13 35.3390 0.0000 . 1 . . . . A 90 ILE CB . 36546 1 1103 . 1 . 1 93 93 ILE CG1 C 13 27.6180 0.0000 . 1 . . . . A 90 ILE CG1 . 36546 1 1104 . 1 . 1 93 93 ILE CG2 C 13 17.0540 0.0000 . 1 . . . . A 90 ILE CG2 . 36546 1 1105 . 1 . 1 93 93 ILE CD1 C 13 9.5080 0.0000 . 1 . . . . A 90 ILE CD1 . 36546 1 1106 . 1 . 1 93 93 ILE N N 15 121.3550 0.0000 . 1 . . . . A 90 ILE N . 36546 1 1107 . 1 . 1 94 94 THR H H 1 8.6810 0.0000 . 1 . . . . A 91 THR H . 36546 1 1108 . 1 . 1 94 94 THR HA H 1 3.5880 0.0000 . 1 . . . . A 91 THR HA . 36546 1 1109 . 1 . 1 94 94 THR HB H 1 4.2260 0.0000 . 1 . . . . A 91 THR HB . 36546 1 1110 . 1 . 1 94 94 THR HG21 H 1 1.0700 0.0000 . 1 . . . . A 91 THR HG21 . 36546 1 1111 . 1 . 1 94 94 THR HG22 H 1 1.0700 0.0000 . 1 . . . . A 91 THR HG22 . 36546 1 1112 . 1 . 1 94 94 THR HG23 H 1 1.0700 0.0000 . 1 . . . . A 91 THR HG23 . 36546 1 1113 . 1 . 1 94 94 THR C C 13 175.7670 0.0000 . 1 . . . . A 91 THR C . 36546 1 1114 . 1 . 1 94 94 THR CA C 13 68.4190 0.0000 . 1 . . . . A 91 THR CA . 36546 1 1115 . 1 . 1 94 94 THR CB C 13 79.1450 0.0000 . 1 . . . . A 91 THR CB . 36546 1 1116 . 1 . 1 94 94 THR CG2 C 13 21.0780 0.0000 . 1 . . . . A 91 THR CG2 . 36546 1 1117 . 1 . 1 94 94 THR N N 15 118.1610 0.0000 . 1 . . . . A 91 THR N . 36546 1 1118 . 1 . 1 95 95 ASN H H 1 8.2320 0.0000 . 1 . . . . A 92 ASN H . 36546 1 1119 . 1 . 1 95 95 ASN HA H 1 4.3820 0.0000 . 1 . . . . A 92 ASN HA . 36546 1 1120 . 1 . 1 95 95 ASN HB2 H 1 2.7490 0.0000 . 2 . . . . A 92 ASN HB2 . 36546 1 1121 . 1 . 1 95 95 ASN HB3 H 1 2.8310 0.0000 . 2 . . . . A 92 ASN HB3 . 36546 1 1122 . 1 . 1 95 95 ASN HD21 H 1 7.5650 0.0000 . 2 . . . . A 92 ASN HD21 . 36546 1 1123 . 1 . 1 95 95 ASN HD22 H 1 6.8980 0.0000 . 2 . . . . A 92 ASN HD22 . 36546 1 1124 . 1 . 1 95 95 ASN C C 13 177.8510 0.0000 . 1 . . . . A 92 ASN C . 36546 1 1125 . 1 . 1 95 95 ASN CA C 13 56.6610 0.0000 . 1 . . . . A 92 ASN CA . 36546 1 1126 . 1 . 1 95 95 ASN CB C 13 38.4690 0.0000 . 1 . . . . A 92 ASN CB . 36546 1 1127 . 1 . 1 95 95 ASN N N 15 120.1080 0.0000 . 1 . . . . A 92 ASN N . 36546 1 1128 . 1 . 1 95 95 ASN ND2 N 15 115.1270 0.0000 . 1 . . . . A 92 ASN ND2 . 36546 1 1129 . 1 . 1 96 96 GLU H H 1 8.2940 0.0000 . 1 . . . . A 93 GLU H . 36546 1 1130 . 1 . 1 96 96 GLU HA H 1 4.2400 0.0000 . 1 . . . . A 93 GLU HA . 36546 1 1131 . 1 . 1 96 96 GLU HB3 H 1 1.9370 0.0000 . 2 . . . . A 93 GLU HB3 . 36546 1 1132 . 1 . 1 96 96 GLU HG2 H 1 2.2300 0.0000 . 2 . . . . A 93 GLU HG2 . 36546 1 1133 . 1 . 1 96 96 GLU HG3 H 1 2.4250 0.0000 . 2 . . . . A 93 GLU HG3 . 36546 1 1134 . 1 . 1 96 96 GLU C C 13 179.5400 0.0000 . 1 . . . . A 93 GLU C . 36546 1 1135 . 1 . 1 96 96 GLU CA C 13 58.5790 0.0000 . 1 . . . . A 93 GLU CA . 36546 1 1136 . 1 . 1 96 96 GLU CB C 13 28.9140 0.0000 . 1 . . . . A 93 GLU CB . 36546 1 1137 . 1 . 1 96 96 GLU CG C 13 35.6680 0.0000 . 1 . . . . A 93 GLU CG . 36546 1 1138 . 1 . 1 96 96 GLU N N 15 119.8540 0.0000 . 1 . . . . A 93 GLU N . 36546 1 1139 . 1 . 1 97 97 LEU H H 1 9.0010 0.0000 . 1 . . . . A 94 LEU H . 36546 1 1140 . 1 . 1 97 97 LEU HA H 1 4.0170 0.0000 . 1 . . . . A 94 LEU HA . 36546 1 1141 . 1 . 1 97 97 LEU HB2 H 1 1.6100 0.0000 . 1 . . . . A 94 LEU HB2 . 36546 1 1142 . 1 . 1 97 97 LEU HB3 H 1 1.7420 0.0000 . 1 . . . . A 94 LEU HB3 . 36546 1 1143 . 1 . 1 97 97 LEU HG H 1 1.6570 0.0000 . 1 . . . . A 94 LEU HG . 36546 1 1144 . 1 . 1 97 97 LEU HD11 H 1 0.8910 0.0000 . 1 . . . . A 94 LEU HD11 . 36546 1 1145 . 1 . 1 97 97 LEU HD12 H 1 0.8910 0.0000 . 1 . . . . A 94 LEU HD12 . 36546 1 1146 . 1 . 1 97 97 LEU HD13 H 1 0.8910 0.0000 . 1 . . . . A 94 LEU HD13 . 36546 1 1147 . 1 . 1 97 97 LEU HD21 H 1 0.8490 0.0000 . 1 . . . . A 94 LEU HD21 . 36546 1 1148 . 1 . 1 97 97 LEU HD22 H 1 0.8490 0.0000 . 1 . . . . A 94 LEU HD22 . 36546 1 1149 . 1 . 1 97 97 LEU HD23 H 1 0.8490 0.0000 . 1 . . . . A 94 LEU HD23 . 36546 1 1150 . 1 . 1 97 97 LEU C C 13 178.0020 0.0000 . 1 . . . . A 94 LEU C . 36546 1 1151 . 1 . 1 97 97 LEU CA C 13 57.7570 0.0000 . 1 . . . . A 94 LEU CA . 36546 1 1152 . 1 . 1 97 97 LEU CB C 13 41.8880 0.0000 . 1 . . . . A 94 LEU CB . 36546 1 1153 . 1 . 1 97 97 LEU CG C 13 27.1150 0.0000 . 1 . . . . A 94 LEU CG . 36546 1 1154 . 1 . 1 97 97 LEU CD1 C 13 24.0970 0.0000 . 1 . . . . A 94 LEU CD1 . 36546 1 1155 . 1 . 1 97 97 LEU CD2 C 13 26.1090 0.0000 . 1 . . . . A 94 LEU CD2 . 36546 1 1156 . 1 . 1 97 97 LEU N N 15 123.5170 0.0000 . 1 . . . . A 94 LEU N . 36546 1 1157 . 1 . 1 98 98 ARG H H 1 8.5270 0.0000 . 1 . . . . A 95 ARG H . 36546 1 1158 . 1 . 1 98 98 ARG HA H 1 3.8810 0.0000 . 1 . . . . A 95 ARG HA . 36546 1 1159 . 1 . 1 98 98 ARG HB2 H 1 1.7900 0.0000 . 2 . . . . A 95 ARG HB2 . 36546 1 1160 . 1 . 1 98 98 ARG HB3 H 1 1.8970 0.0000 . 2 . . . . A 95 ARG HB3 . 36546 1 1161 . 1 . 1 98 98 ARG HG3 H 1 1.5530 0.0000 . 2 . . . . A 95 ARG HG3 . 36546 1 1162 . 1 . 1 98 98 ARG HD3 H 1 3.1430 0.0000 . 2 . . . . A 95 ARG HD3 . 36546 1 1163 . 1 . 1 98 98 ARG HE H 1 7.1800 0.0000 . 1 . . . . A 95 ARG HE . 36546 1 1164 . 1 . 1 98 98 ARG C C 13 179.6100 0.0000 . 1 . . . . A 95 ARG C . 36546 1 1165 . 1 . 1 98 98 ARG CA C 13 60.5420 0.0000 . 1 . . . . A 95 ARG CA . 36546 1 1166 . 1 . 1 98 98 ARG CB C 13 29.5730 0.0000 . 1 . . . . A 95 ARG CB . 36546 1 1167 . 1 . 1 98 98 ARG CG C 13 28.6250 0.0000 . 1 . . . . A 95 ARG CG . 36546 1 1168 . 1 . 1 98 98 ARG CD C 13 43.7170 0.0000 . 1 . . . . A 95 ARG CD . 36546 1 1169 . 1 . 1 98 98 ARG N N 15 119.4320 0.0000 . 1 . . . . A 95 ARG N . 36546 1 1170 . 1 . 1 98 98 ARG NE N 15 85.3490 0.0000 . 1 . . . . A 95 ARG NE . 36546 1 1171 . 1 . 1 99 99 ASN H H 1 7.9780 0.0000 . 1 . . . . A 96 ASN H . 36546 1 1172 . 1 . 1 99 99 ASN HA H 1 4.4380 0.0000 . 1 . . . . A 96 ASN HA . 36546 1 1173 . 1 . 1 99 99 ASN HB2 H 1 2.8060 0.0000 . 1 . . . . A 96 ASN HB2 . 36546 1 1174 . 1 . 1 99 99 ASN HB3 H 1 2.6650 0.0000 . 1 . . . . A 96 ASN HB3 . 36546 1 1175 . 1 . 1 99 99 ASN HD21 H 1 7.4750 0.0000 . 2 . . . . A 96 ASN HD21 . 36546 1 1176 . 1 . 1 99 99 ASN HD22 H 1 6.6860 0.0000 . 2 . . . . A 96 ASN HD22 . 36546 1 1177 . 1 . 1 99 99 ASN C C 13 177.0310 0.0000 . 1 . . . . A 96 ASN C . 36546 1 1178 . 1 . 1 99 99 ASN CA C 13 55.8620 0.0000 . 1 . . . . A 96 ASN CA . 36546 1 1179 . 1 . 1 99 99 ASN CB C 13 37.8100 0.0000 . 1 . . . . A 96 ASN CB . 36546 1 1180 . 1 . 1 99 99 ASN N N 15 118.8200 0.0000 . 1 . . . . A 96 ASN N . 36546 1 1181 . 1 . 1 99 99 ASN ND2 N 15 112.9520 0.0000 . 1 . . . . A 96 ASN ND2 . 36546 1 1182 . 1 . 1 100 100 ALA H H 1 8.2260 0.0000 . 1 . . . . A 97 ALA H . 36546 1 1183 . 1 . 1 100 100 ALA HA H 1 3.8070 0.0000 . 1 . . . . A 97 ALA HA . 36546 1 1184 . 1 . 1 100 100 ALA HB1 H 1 0.5780 0.0000 . 1 . . . . A 97 ALA HB1 . 36546 1 1185 . 1 . 1 100 100 ALA HB2 H 1 0.5780 0.0000 . 1 . . . . A 97 ALA HB2 . 36546 1 1186 . 1 . 1 100 100 ALA HB3 H 1 0.5780 0.0000 . 1 . . . . A 97 ALA HB3 . 36546 1 1187 . 1 . 1 100 100 ALA C C 13 180.4200 0.0000 . 1 . . . . A 97 ALA C . 36546 1 1188 . 1 . 1 100 100 ALA CA C 13 55.1770 0.0000 . 1 . . . . A 97 ALA CA . 36546 1 1189 . 1 . 1 100 100 ALA CB C 13 16.9270 0.0000 . 1 . . . . A 97 ALA CB . 36546 1 1190 . 1 . 1 100 100 ALA N N 15 125.5840 0.0000 . 1 . . . . A 97 ALA N . 36546 1 1191 . 1 . 1 101 101 ILE H H 1 8.1750 0.0000 . 1 . . . . A 98 ILE H . 36546 1 1192 . 1 . 1 101 101 ILE HA H 1 3.6170 0.0000 . 1 . . . . A 98 ILE HA . 36546 1 1193 . 1 . 1 101 101 ILE HB H 1 1.7790 0.0000 . 1 . . . . A 98 ILE HB . 36546 1 1194 . 1 . 1 101 101 ILE HG12 H 1 1.1290 0.0000 . 2 . . . . A 98 ILE HG12 . 36546 1 1195 . 1 . 1 101 101 ILE HG13 H 1 1.6060 0.0000 . 2 . . . . A 98 ILE HG13 . 36546 1 1196 . 1 . 1 101 101 ILE HG21 H 1 0.8810 0.0000 . 1 . . . . A 98 ILE HG21 . 36546 1 1197 . 1 . 1 101 101 ILE HG22 H 1 0.8810 0.0000 . 1 . . . . A 98 ILE HG22 . 36546 1 1198 . 1 . 1 101 101 ILE HG23 H 1 0.8810 0.0000 . 1 . . . . A 98 ILE HG23 . 36546 1 1199 . 1 . 1 101 101 ILE HD11 H 1 0.7610 0.0000 . 1 . . . . A 98 ILE HD11 . 36546 1 1200 . 1 . 1 101 101 ILE HD12 H 1 0.7610 0.0000 . 1 . . . . A 98 ILE HD12 . 36546 1 1201 . 1 . 1 101 101 ILE HD13 H 1 0.7610 0.0000 . 1 . . . . A 98 ILE HD13 . 36546 1 1202 . 1 . 1 101 101 ILE C C 13 178.1240 0.0000 . 1 . . . . A 98 ILE C . 36546 1 1203 . 1 . 1 101 101 ILE CA C 13 65.3140 0.0000 . 1 . . . . A 98 ILE CA . 36546 1 1204 . 1 . 1 101 101 ILE CB C 13 38.7580 0.0000 . 1 . . . . A 98 ILE CB . 36546 1 1205 . 1 . 1 101 101 ILE CG1 C 13 28.6250 0.0000 . 1 . . . . A 98 ILE CG1 . 36546 1 1206 . 1 . 1 101 101 ILE CG2 C 13 17.0540 0.0000 . 1 . . . . A 98 ILE CG2 . 36546 1 1207 . 1 . 1 101 101 ILE CD1 C 13 15.5450 0.0000 . 1 . . . . A 98 ILE CD1 . 36546 1 1208 . 1 . 1 101 101 ILE N N 15 119.2000 0.0000 . 1 . . . . A 98 ILE N . 36546 1 1209 . 1 . 1 102 102 GLN H H 1 7.8450 0.0000 . 1 . . . . A 99 GLN H . 36546 1 1210 . 1 . 1 102 102 GLN HA H 1 4.0650 0.0000 . 1 . . . . A 99 GLN HA . 36546 1 1211 . 1 . 1 102 102 GLN HB3 H 1 2.1120 0.0000 . 2 . . . . A 99 GLN HB3 . 36546 1 1212 . 1 . 1 102 102 GLN HG2 H 1 2.3350 0.0000 . 2 . . . . A 99 GLN HG2 . 36546 1 1213 . 1 . 1 102 102 GLN HG3 H 1 2.3710 0.0000 . 2 . . . . A 99 GLN HG3 . 36546 1 1214 . 1 . 1 102 102 GLN HE21 H 1 7.6010 0.0000 . 2 . . . . A 99 GLN HE21 . 36546 1 1215 . 1 . 1 102 102 GLN HE22 H 1 6.7670 0.0000 . 2 . . . . A 99 GLN HE22 . 36546 1 1216 . 1 . 1 102 102 GLN C C 13 178.1740 0.0000 . 1 . . . . A 99 GLN C . 36546 1 1217 . 1 . 1 102 102 GLN CA C 13 58.8070 0.0000 . 1 . . . . A 99 GLN CA . 36546 1 1218 . 1 . 1 102 102 GLN CB C 13 28.0490 0.0000 . 1 . . . . A 99 GLN CB . 36546 1 1219 . 1 . 1 102 102 GLN CG C 13 33.6550 0.0000 . 1 . . . . A 99 GLN CG . 36546 1 1220 . 1 . 1 102 102 GLN N N 15 120.8870 0.0000 . 1 . . . . A 99 GLN N . 36546 1 1221 . 1 . 1 102 102 GLN NE2 N 15 113.1530 0.0000 . 1 . . . . A 99 GLN NE2 . 36546 1 1222 . 1 . 1 103 103 ARG H H 1 8.2200 0.0000 . 1 . . . . A 100 ARG H . 36546 1 1223 . 1 . 1 103 103 ARG HA H 1 4.1600 0.0000 . 1 . . . . A 100 ARG HA . 36546 1 1224 . 1 . 1 103 103 ARG HB2 H 1 1.7770 0.0000 . 2 . . . . A 100 ARG HB2 . 36546 1 1225 . 1 . 1 103 103 ARG HB3 H 1 1.8670 0.0000 . 2 . . . . A 100 ARG HB3 . 36546 1 1226 . 1 . 1 103 103 ARG HG2 H 1 1.5440 0.0000 . 2 . . . . A 100 ARG HG2 . 36546 1 1227 . 1 . 1 103 103 ARG HG3 H 1 1.7510 0.0000 . 2 . . . . A 100 ARG HG3 . 36546 1 1228 . 1 . 1 103 103 ARG HD2 H 1 3.0990 0.0000 . 2 . . . . A 100 ARG HD2 . 36546 1 1229 . 1 . 1 103 103 ARG HD3 H 1 3.1840 0.0000 . 2 . . . . A 100 ARG HD3 . 36546 1 1230 . 1 . 1 103 103 ARG C C 13 178.9640 0.0000 . 1 . . . . A 100 ARG C . 36546 1 1231 . 1 . 1 103 103 ARG CA C 13 58.9900 0.0000 . 1 . . . . A 100 ARG CA . 36546 1 1232 . 1 . 1 103 103 ARG CB C 13 30.3140 0.0000 . 1 . . . . A 100 ARG CB . 36546 1 1233 . 1 . 1 103 103 ARG CG C 13 27.6180 0.0000 . 1 . . . . A 100 ARG CG . 36546 1 1234 . 1 . 1 103 103 ARG CD C 13 43.7170 0.0000 . 1 . . . . A 100 ARG CD . 36546 1 1235 . 1 . 1 103 103 ARG N N 15 119.6640 0.0000 . 1 . . . . A 100 ARG N . 36546 1 1236 . 1 . 1 104 104 GLN H H 1 7.8760 0.0000 . 1 . . . . A 101 GLN H . 36546 1 1237 . 1 . 1 104 104 GLN HA H 1 4.2410 0.0000 . 1 . . . . A 101 GLN HA . 36546 1 1238 . 1 . 1 104 104 GLN HB2 H 1 2.2180 0.0000 . 1 . . . . A 101 GLN HB2 . 36546 1 1239 . 1 . 1 104 104 GLN HB3 H 1 2.3400 0.0000 . 1 . . . . A 101 GLN HB3 . 36546 1 1240 . 1 . 1 104 104 GLN HG2 H 1 2.4480 0.0000 . 2 . . . . A 101 GLN HG2 . 36546 1 1241 . 1 . 1 104 104 GLN HG3 H 1 2.5180 0.0000 . 2 . . . . A 101 GLN HG3 . 36546 1 1242 . 1 . 1 104 104 GLN HE21 H 1 7.5600 0.0000 . 2 . . . . A 101 GLN HE21 . 36546 1 1243 . 1 . 1 104 104 GLN HE22 H 1 6.9180 0.0000 . 2 . . . . A 101 GLN HE22 . 36546 1 1244 . 1 . 1 104 104 GLN C C 13 178.0430 0.0000 . 1 . . . . A 101 GLN C . 36546 1 1245 . 1 . 1 104 104 GLN CA C 13 58.0770 0.0000 . 1 . . . . A 101 GLN CA . 36546 1 1246 . 1 . 1 104 104 GLN CB C 13 27.9660 0.0000 . 1 . . . . A 101 GLN CB . 36546 1 1247 . 1 . 1 104 104 GLN CG C 13 33.6550 0.0000 . 1 . . . . A 101 GLN CG . 36546 1 1248 . 1 . 1 104 104 GLN N N 15 120.4070 0.0000 . 1 . . . . A 101 GLN N . 36546 1 1249 . 1 . 1 104 104 GLN NE2 N 15 113.5290 0.0000 . 1 . . . . A 101 GLN NE2 . 36546 1 1250 . 1 . 1 105 105 ARG H H 1 8.1520 0.0000 . 1 . . . . A 102 ARG H . 36546 1 1251 . 1 . 1 105 105 ARG HA H 1 4.2470 0.0000 . 1 . . . . A 102 ARG HA . 36546 1 1252 . 1 . 1 105 105 ARG HB3 H 1 1.8960 0.0000 . 2 . . . . A 102 ARG HB3 . 36546 1 1253 . 1 . 1 105 105 ARG HG2 H 1 1.7020 0.0000 . 2 . . . . A 102 ARG HG2 . 36546 1 1254 . 1 . 1 105 105 ARG HG3 H 1 1.7760 0.0000 . 2 . . . . A 102 ARG HG3 . 36546 1 1255 . 1 . 1 105 105 ARG HD2 H 1 3.1150 0.0000 . 2 . . . . A 102 ARG HD2 . 36546 1 1256 . 1 . 1 105 105 ARG HD3 H 1 3.1800 0.0000 . 2 . . . . A 102 ARG HD3 . 36546 1 1257 . 1 . 1 105 105 ARG HE H 1 7.2640 0.0000 . 1 . . . . A 102 ARG HE . 36546 1 1258 . 1 . 1 105 105 ARG C C 13 178.1740 0.0000 . 1 . . . . A 102 ARG C . 36546 1 1259 . 1 . 1 105 105 ARG CA C 13 58.0310 0.0000 . 1 . . . . A 102 ARG CA . 36546 1 1260 . 1 . 1 105 105 ARG CB C 13 30.6020 0.0000 . 1 . . . . A 102 ARG CB . 36546 1 1261 . 1 . 1 105 105 ARG CG C 13 27.6180 0.0000 . 1 . . . . A 102 ARG CG . 36546 1 1262 . 1 . 1 105 105 ARG CD C 13 43.2140 0.0000 . 1 . . . . A 102 ARG CD . 36546 1 1263 . 1 . 1 105 105 ARG N N 15 120.6270 0.0000 . 1 . . . . A 102 ARG N . 36546 1 1264 . 1 . 1 105 105 ARG NE N 15 86.3690 0.0000 . 1 . . . . A 102 ARG NE . 36546 1 1265 . 1 . 1 106 106 GLU H H 1 8.2290 0.0000 . 1 . . . . A 103 GLU H . 36546 1 1266 . 1 . 1 106 106 GLU HA H 1 4.2850 0.0000 . 1 . . . . A 103 GLU HA . 36546 1 1267 . 1 . 1 106 106 GLU HB3 H 1 2.0370 0.0000 . 2 . . . . A 103 GLU HB3 . 36546 1 1268 . 1 . 1 106 106 GLU HG2 H 1 2.2670 0.0000 . 2 . . . . A 103 GLU HG2 . 36546 1 1269 . 1 . 1 106 106 GLU HG3 H 1 2.3810 0.0000 . 2 . . . . A 103 GLU HG3 . 36546 1 1270 . 1 . 1 106 106 GLU C C 13 177.9310 0.0000 . 1 . . . . A 103 GLU C . 36546 1 1271 . 1 . 1 106 106 GLU CA C 13 57.6890 0.0000 . 1 . . . . A 103 GLU CA . 36546 1 1272 . 1 . 1 106 106 GLU CB C 13 29.9430 0.0000 . 1 . . . . A 103 GLU CB . 36546 1 1273 . 1 . 1 106 106 GLU CG C 13 36.6740 0.0000 . 1 . . . . A 103 GLU CG . 36546 1 1274 . 1 . 1 106 106 GLU N N 15 120.4800 0.0000 . 1 . . . . A 103 GLU N . 36546 1 1275 . 1 . 1 107 107 GLY H H 1 8.1090 0.0000 . 1 . . . . A 104 GLY H . 36546 1 1276 . 1 . 1 107 107 GLY HA3 H 1 4.1040 0.0000 . 2 . . . . A 104 GLY HA3 . 36546 1 1277 . 1 . 1 107 107 GLY C C 13 174.7350 0.0000 . 1 . . . . A 104 GLY C . 36546 1 1278 . 1 . 1 107 107 GLY CA C 13 45.7710 0.0000 . 1 . . . . A 104 GLY CA . 36546 1 1279 . 1 . 1 107 107 GLY N N 15 109.3340 0.0000 . 1 . . . . A 104 GLY N . 36546 1 1280 . 1 . 1 108 108 SER H H 1 8.1510 0.0000 . 1 . . . . A 105 SER H . 36546 1 1281 . 1 . 1 108 108 SER HA H 1 4.5540 0.0000 . 1 . . . . A 105 SER HA . 36546 1 1282 . 1 . 1 108 108 SER HB2 H 1 3.8650 0.0000 . 2 . . . . A 105 SER HB2 . 36546 1 1283 . 1 . 1 108 108 SER HB3 H 1 3.9010 0.0000 . 2 . . . . A 105 SER HB3 . 36546 1 1284 . 1 . 1 108 108 SER C C 13 174.7760 0.0000 . 1 . . . . A 105 SER C . 36546 1 1285 . 1 . 1 108 108 SER CA C 13 58.6700 0.0000 . 1 . . . . A 105 SER CA . 36546 1 1286 . 1 . 1 108 108 SER CB C 13 63.9240 0.0000 . 1 . . . . A 105 SER CB . 36546 1 1287 . 1 . 1 108 108 SER N N 15 116.5460 0.0000 . 1 . . . . A 105 SER N . 36546 1 1288 . 1 . 1 109 109 GLN H H 1 8.3900 0.0000 . 1 . . . . A 106 GLN H . 36546 1 1289 . 1 . 1 109 109 GLN HA H 1 4.4860 0.0000 . 1 . . . . A 106 GLN HA . 36546 1 1290 . 1 . 1 109 109 GLN HB2 H 1 1.9830 0.0000 . 2 . . . . A 106 GLN HB2 . 36546 1 1291 . 1 . 1 109 109 GLN HB3 H 1 2.1460 0.0000 . 2 . . . . A 106 GLN HB3 . 36546 1 1292 . 1 . 1 109 109 GLN HG3 H 1 2.3720 0.0000 . 2 . . . . A 106 GLN HG3 . 36546 1 1293 . 1 . 1 109 109 GLN HE21 H 1 7.4970 0.0000 . 2 . . . . A 106 GLN HE21 . 36546 1 1294 . 1 . 1 109 109 GLN HE22 H 1 6.8210 0.0000 . 2 . . . . A 106 GLN HE22 . 36546 1 1295 . 1 . 1 109 109 GLN C C 13 176.0000 0.0000 . 1 . . . . A 106 GLN C . 36546 1 1296 . 1 . 1 109 109 GLN CA C 13 55.8850 0.0000 . 1 . . . . A 106 GLN CA . 36546 1 1297 . 1 . 1 109 109 GLN CB C 13 29.4080 0.0000 . 1 . . . . A 106 GLN CB . 36546 1 1298 . 1 . 1 109 109 GLN CG C 13 33.6550 0.0000 . 1 . . . . A 106 GLN CG . 36546 1 1299 . 1 . 1 109 109 GLN N N 15 122.9970 0.0000 . 1 . . . . A 106 GLN N . 36546 1 1300 . 1 . 1 109 109 GLN NE2 N 15 113.7620 0.0000 . 1 . . . . A 106 GLN NE2 . 36546 1 1301 . 1 . 1 110 110 SER H H 1 8.3710 0.0000 . 1 . . . . A 107 SER H . 36546 1 1302 . 1 . 1 110 110 SER HA H 1 4.5270 0.0000 . 1 . . . . A 107 SER HA . 36546 1 1303 . 1 . 1 110 110 SER HB3 H 1 3.8310 0.0000 . 2 . . . . A 107 SER HB3 . 36546 1 1304 . 1 . 1 110 110 SER C C 13 173.5720 0.0000 . 1 . . . . A 107 SER C . 36546 1 1305 . 1 . 1 110 110 SER CA C 13 58.5110 0.0000 . 1 . . . . A 107 SER CA . 36546 1 1306 . 1 . 1 110 110 SER CB C 13 63.8830 0.0000 . 1 . . . . A 107 SER CB . 36546 1 1307 . 1 . 1 110 110 SER N N 15 118.7780 0.0000 . 1 . . . . A 107 SER N . 36546 1 1308 . 1 . 1 111 111 LYS H H 1 8.0600 0.0000 . 1 . . . . A 108 LYS H . 36546 1 1309 . 1 . 1 111 111 LYS HA H 1 4.2470 0.0000 . 1 . . . . A 108 LYS HA . 36546 1 1310 . 1 . 1 111 111 LYS HB2 H 1 1.6740 0.0000 . 2 . . . . A 108 LYS HB2 . 36546 1 1311 . 1 . 1 111 111 LYS HB3 H 1 1.7960 0.0000 . 2 . . . . A 108 LYS HB3 . 36546 1 1312 . 1 . 1 111 111 LYS HG2 H 1 1.7010 0.0000 . 2 . . . . A 108 LYS HG2 . 36546 1 1313 . 1 . 1 111 111 LYS HG3 H 1 1.7700 0.0000 . 2 . . . . A 108 LYS HG3 . 36546 1 1314 . 1 . 1 111 111 LYS HD3 H 1 1.8960 0.0000 . 2 . . . . A 108 LYS HD3 . 36546 1 1315 . 1 . 1 111 111 LYS HE2 H 1 3.1030 0.0000 . 2 . . . . A 108 LYS HE2 . 36546 1 1316 . 1 . 1 111 111 LYS HE3 H 1 3.1860 0.0000 . 2 . . . . A 108 LYS HE3 . 36546 1 1317 . 1 . 1 111 111 LYS C C 13 181.3600 0.0000 . 1 . . . . A 108 LYS C . 36546 1 1318 . 1 . 1 111 111 LYS CA C 13 57.7800 0.0000 . 1 . . . . A 108 LYS CA . 36546 1 1319 . 1 . 1 111 111 LYS CB C 13 33.7330 0.0000 . 1 . . . . A 108 LYS CB . 36546 1 1320 . 1 . 1 111 111 LYS CG C 13 27.6180 0.0000 . 1 . . . . A 108 LYS CG . 36546 1 1321 . 1 . 1 111 111 LYS CD C 13 30.6370 0.0000 . 1 . . . . A 108 LYS CD . 36546 1 1322 . 1 . 1 111 111 LYS CE C 13 43.7170 0.0000 . 1 . . . . A 108 LYS CE . 36546 1 1323 . 1 . 1 111 111 LYS N N 15 129.6600 0.0000 . 1 . . . . A 108 LYS N . 36546 1 stop_ save_