data_18842 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18842 _Entry.Title ; NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and Rad4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-16 _Entry.Accession_date 2012-11-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Julien Lafrance-Vanasse . . . 18842 2 Genevieve Arseneault . . . 18842 3 Laurent Cappadocia . . . 18842 4 Pascale Legault . . . 18842 5 James Omichinski . G. . 18842 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18842 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PH domain' . 18842 Rad4 . 18842 Tfb1 . 18842 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18842 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 552 18842 '15N chemical shifts' 144 18842 '1H chemical shifts' 862 18842 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-25 2012-11-16 update BMRB 'update entry citation' 18842 1 . . 2013-01-22 2012-11-16 original author 'original release' 18842 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Y5O . 18842 PDB 2GS0 . 18842 PDB 2K2U . 18842 PDB 2L2I . 18842 PDB 2LOX . 18842 PDB 2M14 'BMRB Entry Tracking System' 18842 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18842 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23295669 _Citation.Full_citation . _Citation.Title 'Structural and functional evidence that Rad4 competes with Rad2 for binding to the Tfb1 subunit of TFIIH in NER.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 41 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2736 _Citation.Page_last 2745 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julien Lafrance-Vanasse . . . 18842 1 2 Genevieve Arseneault . . . 18842 1 3 Laurent Cappadocia . . . 18842 1 4 Pascale Legault . . . 18842 1 5 James Omichinski . G. . 18842 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18842 _Assembly.ID 1 _Assembly.Name 'complex between the PH domain of the Tfb1 subunit from TFIIH and Rad4' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tfb1 1 $Tfb1 A . yes native no no . . . 18842 1 2 Rad4 2 $Rad4 B . yes native no no . . . 18842 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tfb1 _Entity.Sf_category entity _Entity.Sf_framecode Tfb1 _Entity.Entry_ID 18842 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tfb1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PSHSGAAIFEKVSGIIAINE DVSPAELTWRSTDGDKVHTV VLSTIDKLQATPASSEKMML RLIGKVDESKKRKDNEGNEV VPKPQRHMFSFNNRTVMDNI KMTLQQIISRYKDADGNSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12903.807 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18229 . Tfb1 . . . . . 100.00 119 100.00 100.00 7.33e-81 . . . . 18842 1 2 no BMRB 19791 . Tfb1 . . . . . 96.64 115 100.00 100.00 6.98e-78 . . . . 18842 1 3 no BMRB 25540 . RNA_polymerase_II_transcription_factor_B_subunit_1 . . . . . 96.64 115 100.00 100.00 6.98e-78 . . . . 18842 1 4 no PDB 1Y5O . "Nmr Structure Of The Amino-Terminal Domain From The Tfb1 Subunit Of Yeast Tfiih" . . . . . 95.80 115 100.00 100.00 6.19e-77 . . . . 18842 1 5 no PDB 2GS0 . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" . . . . . 95.80 115 100.00 100.00 6.19e-77 . . . . 18842 1 6 no PDB 2K2U . "Nmr Structure Of The Complex Between Tfb1 Subunit Of Tfiih And The Activation Domain Of Vp16" . . . . . 96.64 115 100.00 100.00 6.98e-78 . . . . 18842 1 7 no PDB 2L2I . "Nmr Structure Of The Complex Between The Tfb1 Subunit Of Tfiih And The Activation Domain Of Eklf" . . . . . 96.64 115 100.00 100.00 6.98e-78 . . . . 18842 1 8 no PDB 2LOX . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad2" . . . . . 100.00 119 100.00 100.00 7.33e-81 . . . . 18842 1 9 no PDB 2M14 . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad4" . . . . . 100.00 119 100.00 100.00 7.33e-81 . . . . 18842 1 10 no PDB 2MKR . "Structural Characterization Of A Complex Between The Acidic Transactivation Domain Of Ebna2 And The Tfb1/p62 Subunit Of Tfiih." . . . . . 96.64 115 100.00 100.00 6.98e-78 . . . . 18842 1 11 no PDB 2N0Y . "Nmr Structure Of The Complex Between The C-terminal Domain Of The Rift Valley Fever Virus Protein Nss And The Ph Domain Of The " . . . . . 96.64 115 100.00 100.00 6.98e-78 . . . . 18842 1 12 no DBJ GAA22531 . "K7_Tfb1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 1 13 no EMBL CAY78811 . "Tfb1p [Saccharomyces cerevisiae EC1118]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 1 14 no GB AAA35143 . "RNA polymerase II transcription factor b, 73 kDa subunit [Saccharomyces cerevisiae]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 1 15 no GB AAB64747 . "Tfb1: RNA Polymerase II transcription factor B 73 kD subunit (Swiss Prot. accession number P32776) [Saccharomyces cerevisiae]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 1 16 no GB AAU09707 . "YDR311W [Saccharomyces cerevisiae]" . . . . . 95.80 642 100.00 100.00 1.62e-71 . . . . 18842 1 17 no GB AHY75284 . "Tfb1p [Saccharomyces cerevisiae YJM993]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 1 18 no GB AJP38011 . "Tfb1p [Saccharomyces cerevisiae YJM1078]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 1 19 no REF NP_010597 . "TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 1 20 no SP P32776 . "RecName: Full=RNA polymerase II transcription factor B subunit 1; AltName: Full=General transcription and DNA repair factor IIH" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 1 21 no TPG DAA12150 . "TPA: TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18842 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 . PRO . 18842 1 2 . SER . 18842 1 3 . HIS . 18842 1 4 . SER . 18842 1 5 . GLY . 18842 1 6 . ALA . 18842 1 7 . ALA . 18842 1 8 . ILE . 18842 1 9 . PHE . 18842 1 10 . GLU . 18842 1 11 . LYS . 18842 1 12 . VAL . 18842 1 13 . SER . 18842 1 14 . GLY . 18842 1 15 . ILE . 18842 1 16 . ILE . 18842 1 17 . ALA . 18842 1 18 . ILE . 18842 1 19 . ASN . 18842 1 20 . GLU . 18842 1 21 . ASP . 18842 1 22 . VAL . 18842 1 23 . SER . 18842 1 24 . PRO . 18842 1 25 . ALA . 18842 1 26 . GLU . 18842 1 27 . LEU . 18842 1 28 . THR . 18842 1 29 . TRP . 18842 1 30 . ARG . 18842 1 31 . SER . 18842 1 32 . THR . 18842 1 33 . ASP . 18842 1 34 . GLY . 18842 1 35 . ASP . 18842 1 36 . LYS . 18842 1 37 . VAL . 18842 1 38 . HIS . 18842 1 39 . THR . 18842 1 40 . VAL . 18842 1 41 . VAL . 18842 1 42 . LEU . 18842 1 43 . SER . 18842 1 44 . THR . 18842 1 45 . ILE . 18842 1 46 . ASP . 18842 1 47 . LYS . 18842 1 48 . LEU . 18842 1 49 . GLN . 18842 1 50 . ALA . 18842 1 51 . THR . 18842 1 52 . PRO . 18842 1 53 . ALA . 18842 1 54 . SER . 18842 1 55 . SER . 18842 1 56 . GLU . 18842 1 57 . LYS . 18842 1 58 . MET . 18842 1 59 . MET . 18842 1 60 . LEU . 18842 1 61 . ARG . 18842 1 62 . LEU . 18842 1 63 . ILE . 18842 1 64 . GLY . 18842 1 65 . LYS . 18842 1 66 . VAL . 18842 1 67 . ASP . 18842 1 68 . GLU . 18842 1 69 . SER . 18842 1 70 . LYS . 18842 1 71 . LYS . 18842 1 72 . ARG . 18842 1 73 . LYS . 18842 1 74 . ASP . 18842 1 75 . ASN . 18842 1 76 . GLU . 18842 1 77 . GLY . 18842 1 78 . ASN . 18842 1 79 . GLU . 18842 1 80 . VAL . 18842 1 81 . VAL . 18842 1 82 . PRO . 18842 1 83 . LYS . 18842 1 84 . PRO . 18842 1 85 . GLN . 18842 1 86 . ARG . 18842 1 87 . HIS . 18842 1 88 . MET . 18842 1 89 . PHE . 18842 1 90 . SER . 18842 1 91 . PHE . 18842 1 92 . ASN . 18842 1 93 . ASN . 18842 1 94 . ARG . 18842 1 95 . THR . 18842 1 96 . VAL . 18842 1 97 . MET . 18842 1 98 . ASP . 18842 1 99 . ASN . 18842 1 100 . ILE . 18842 1 101 . LYS . 18842 1 102 . MET . 18842 1 103 . THR . 18842 1 104 . LEU . 18842 1 105 . GLN . 18842 1 106 . GLN . 18842 1 107 . ILE . 18842 1 108 . ILE . 18842 1 109 . SER . 18842 1 110 . ARG . 18842 1 111 . TYR . 18842 1 112 . LYS . 18842 1 113 . ASP . 18842 1 114 . ALA . 18842 1 115 . ASP . 18842 1 116 . GLY . 18842 1 117 . ASN . 18842 1 118 . SER . 18842 1 119 . SER . 18842 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 . PRO 1 1 18842 1 . SER 2 2 18842 1 . HIS 3 3 18842 1 . SER 4 4 18842 1 . GLY 5 5 18842 1 . ALA 6 6 18842 1 . ALA 7 7 18842 1 . ILE 8 8 18842 1 . PHE 9 9 18842 1 . GLU 10 10 18842 1 . LYS 11 11 18842 1 . VAL 12 12 18842 1 . SER 13 13 18842 1 . GLY 14 14 18842 1 . ILE 15 15 18842 1 . ILE 16 16 18842 1 . ALA 17 17 18842 1 . ILE 18 18 18842 1 . ASN 19 19 18842 1 . GLU 20 20 18842 1 . ASP 21 21 18842 1 . VAL 22 22 18842 1 . SER 23 23 18842 1 . PRO 24 24 18842 1 . ALA 25 25 18842 1 . GLU 26 26 18842 1 . LEU 27 27 18842 1 . THR 28 28 18842 1 . TRP 29 29 18842 1 . ARG 30 30 18842 1 . SER 31 31 18842 1 . THR 32 32 18842 1 . ASP 33 33 18842 1 . GLY 34 34 18842 1 . ASP 35 35 18842 1 . LYS 36 36 18842 1 . VAL 37 37 18842 1 . HIS 38 38 18842 1 . THR 39 39 18842 1 . VAL 40 40 18842 1 . VAL 41 41 18842 1 . LEU 42 42 18842 1 . SER 43 43 18842 1 . THR 44 44 18842 1 . ILE 45 45 18842 1 . ASP 46 46 18842 1 . LYS 47 47 18842 1 . LEU 48 48 18842 1 . GLN 49 49 18842 1 . ALA 50 50 18842 1 . THR 51 51 18842 1 . PRO 52 52 18842 1 . ALA 53 53 18842 1 . SER 54 54 18842 1 . SER 55 55 18842 1 . GLU 56 56 18842 1 . LYS 57 57 18842 1 . MET 58 58 18842 1 . MET 59 59 18842 1 . LEU 60 60 18842 1 . ARG 61 61 18842 1 . LEU 62 62 18842 1 . ILE 63 63 18842 1 . GLY 64 64 18842 1 . LYS 65 65 18842 1 . VAL 66 66 18842 1 . ASP 67 67 18842 1 . GLU 68 68 18842 1 . SER 69 69 18842 1 . LYS 70 70 18842 1 . LYS 71 71 18842 1 . ARG 72 72 18842 1 . LYS 73 73 18842 1 . ASP 74 74 18842 1 . ASN 75 75 18842 1 . GLU 76 76 18842 1 . GLY 77 77 18842 1 . ASN 78 78 18842 1 . GLU 79 79 18842 1 . VAL 80 80 18842 1 . VAL 81 81 18842 1 . PRO 82 82 18842 1 . LYS 83 83 18842 1 . PRO 84 84 18842 1 . GLN 85 85 18842 1 . ARG 86 86 18842 1 . HIS 87 87 18842 1 . MET 88 88 18842 1 . PHE 89 89 18842 1 . SER 90 90 18842 1 . PHE 91 91 18842 1 . ASN 92 92 18842 1 . ASN 93 93 18842 1 . ARG 94 94 18842 1 . THR 95 95 18842 1 . VAL 96 96 18842 1 . MET 97 97 18842 1 . ASP 98 98 18842 1 . ASN 99 99 18842 1 . ILE 100 100 18842 1 . LYS 101 101 18842 1 . MET 102 102 18842 1 . THR 103 103 18842 1 . LEU 104 104 18842 1 . GLN 105 105 18842 1 . GLN 106 106 18842 1 . ILE 107 107 18842 1 . ILE 108 108 18842 1 . SER 109 109 18842 1 . ARG 110 110 18842 1 . TYR 111 111 18842 1 . LYS 112 112 18842 1 . ASP 113 113 18842 1 . ALA 114 114 18842 1 . ASP 115 115 18842 1 . GLY 116 116 18842 1 . ASN 117 117 18842 1 . SER 118 118 18842 1 . SER 119 119 18842 1 stop_ save_ save_Rad4 _Entity.Sf_category entity _Entity.Sf_framecode Rad4 _Entity.Entry_ID 18842 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Rad4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSTDDSVEEIQSSEEDYDSE EFEDVTDGNEVAGVEDISVE IK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1747.696 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M14 . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad4" . . . . . 100.00 42 100.00 100.00 9.49e-17 . . . . 18842 2 2 no GB AAA34944 . "RAD4 protein [Saccharomyces cerevisiae]" . . . . . 97.62 754 97.56 97.56 1.89e-14 . . . . 18842 2 3 no GB AAA34945 . "rad4 [Saccharomyces cerevisiae]" . . . . . 97.62 754 97.56 97.56 1.89e-14 . . . . 18842 2 4 no GB AAB64689 . "Rad4p: nucleotide excision repair protein [Saccharomyces cerevisiae]" . . . . . 97.62 754 97.56 97.56 1.80e-14 . . . . 18842 2 5 no GB AHY75718 . "Rad4p [Saccharomyces cerevisiae YJM993]" . . . . . 97.62 754 97.56 97.56 1.77e-14 . . . . 18842 2 6 no GB EDN63138 . "radiation sensitive protein [Saccharomyces cerevisiae YJM789]" . . . . . 97.62 754 97.56 97.56 1.91e-14 . . . . 18842 2 7 no REF NP_011089 . "Rad4p [Saccharomyces cerevisiae S288c]" . . . . . 97.62 754 97.56 97.56 1.80e-14 . . . . 18842 2 8 no SP P14736 . "RecName: Full=DNA repair protein RAD4 [Saccharomyces cerevisiae S288c]" . . . . . 97.62 754 97.56 97.56 1.80e-14 . . . . 18842 2 9 no TPG DAA07824 . "TPA: Rad4p [Saccharomyces cerevisiae S288c]" . . . . . 97.62 754 97.56 97.56 1.80e-14 . . . . 18842 2 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 74 GLY . 18842 2 2 75 SER . 18842 2 3 76 THR . 18842 2 4 77 ASP . 18842 2 5 78 ASP . 18842 2 6 79 SER . 18842 2 7 80 VAL . 18842 2 8 81 GLU . 18842 2 9 82 GLU . 18842 2 10 83 ILE . 18842 2 11 84 GLN . 18842 2 12 85 SER . 18842 2 13 86 SER . 18842 2 14 87 GLU . 18842 2 15 88 GLU . 18842 2 16 89 ASP . 18842 2 17 90 TYR . 18842 2 18 91 ASP . 18842 2 19 92 SER . 18842 2 20 93 GLU . 18842 2 21 94 GLU . 18842 2 22 95 PHE . 18842 2 23 96 GLU . 18842 2 24 97 ASP . 18842 2 25 98 VAL . 18842 2 26 99 THR . 18842 2 27 100 ASP . 18842 2 28 101 GLY . 18842 2 29 102 ASN . 18842 2 30 103 GLU . 18842 2 31 104 VAL . 18842 2 32 105 ALA . 18842 2 33 106 GLY . 18842 2 34 107 VAL . 18842 2 35 108 GLU . 18842 2 36 109 ASP . 18842 2 37 110 ILE . 18842 2 38 111 SER . 18842 2 39 112 VAL . 18842 2 40 113 GLU . 18842 2 41 114 ILE . 18842 2 42 115 LYS . 18842 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18842 2 . SER 2 2 18842 2 . THR 3 3 18842 2 . ASP 4 4 18842 2 . ASP 5 5 18842 2 . SER 6 6 18842 2 . VAL 7 7 18842 2 . GLU 8 8 18842 2 . GLU 9 9 18842 2 . ILE 10 10 18842 2 . GLN 11 11 18842 2 . SER 12 12 18842 2 . SER 13 13 18842 2 . GLU 14 14 18842 2 . GLU 15 15 18842 2 . ASP 16 16 18842 2 . TYR 17 17 18842 2 . ASP 18 18 18842 2 . SER 19 19 18842 2 . GLU 20 20 18842 2 . GLU 21 21 18842 2 . PHE 22 22 18842 2 . GLU 23 23 18842 2 . ASP 24 24 18842 2 . VAL 25 25 18842 2 . THR 26 26 18842 2 . ASP 27 27 18842 2 . GLY 28 28 18842 2 . ASN 29 29 18842 2 . GLU 30 30 18842 2 . VAL 31 31 18842 2 . ALA 32 32 18842 2 . GLY 33 33 18842 2 . VAL 34 34 18842 2 . GLU 35 35 18842 2 . ASP 36 36 18842 2 . ILE 37 37 18842 2 . SER 38 38 18842 2 . VAL 39 39 18842 2 . GLU 40 40 18842 2 . ILE 41 41 18842 2 . LYS 42 42 18842 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18842 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Tfb1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18842 1 2 2 $Rad4 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18842 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 18842 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Tfb1 . 'recombinant technology' 'Escherichia coli' E.coli . 562 Escherichia coli . . . . . . . . . . . . . . . . pGEX-2TK . . . . . . 18842 1 2 2 $Rad4 . 'recombinant technology' 'Escherichia coli' E.coli . 562 Escherichia coli . . . . . . . . . . . . . . . . pGEX-2TK . . . . . . 18842 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18842 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tfb1 '[U-100% 13C; U-100% 15N]' . . 1 $Tfb1 . . 1 . . mM . . . . 18842 1 2 Rad4 'natural abundance' . . 2 $Rad4 . . 1.25 . . mM . . . . 18842 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18842 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18842 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18842 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18842 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tfb1 '[U-100% 13C; U-100% 15N]' . . 1 $Tfb1 . . 1 . . mM . . . . 18842 2 2 Rad4 'natural abundance' . . 2 $Rad4 . . 1.25 . . mM . . . . 18842 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18842 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18842 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18842 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18842 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tfb1 '[U-100% 15N]' . . 1 $Tfb1 . . 1 . . mM . . . . 18842 3 2 Rad4 'natural abundance' . . 2 $Rad4 . . 1.25 . . mM . . . . 18842 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18842 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18842 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18842 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18842 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tfb1 'natural abundance' . . 1 $Tfb1 . . 1.25 . . mM . . . . 18842 4 2 Rad4 '[U-100% 13C; U-100% 15N]' . . 2 $Rad4 . . 1 . . mM . . . . 18842 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18842 4 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18842 4 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18842 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 18842 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tfb1 'natural abundance' . . 1 $Tfb1 . . 1.25 . . mM . . . . 18842 5 2 Rad4 '[U-100% 13C; U-100% 15N]' . . 2 $Rad4 . . 1 . . mM . . . . 18842 5 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18842 5 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18842 5 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18842 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 18842 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tfb1 'natural abundance' . . 1 $Tfb1 . . 1.25 . . mM . . . . 18842 6 2 Rad4 '[U-100% 15N]' . . 2 $Rad4 . . 1 . . mM . . . . 18842 6 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18842 6 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18842 6 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18842 6 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 18842 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 18842 1 pH 6.5 . pH 18842 1 pressure 1 . atm 18842 1 temperature 300 . K 18842 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18842 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18842 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18842 1 'structure solution' 18842 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18842 _Software.ID 2 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18842 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18842 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18842 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18842 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18842 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18842 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18842 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18842 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18842 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18842 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18842 5 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18842 _Software.ID 6 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18842 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18842 6 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18842 _Software.ID 7 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18842 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18842 7 stop_ save_ save_CcpNMR_2.1 _Software.Sf_category software _Software.Sf_framecode CcpNMR_2.1 _Software.Entry_ID 18842 _Software.ID 8 _Software.Name CcpNMR_2.1 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18842 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18842 8 'data analysis' 18842 8 'peak picking' 18842 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18842 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18842 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18842 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18842 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 18842 1 2 spectrometer_2 Varian INOVA . 600 . . . 18842 1 3 spectrometer_3 Varian INOVA . 800 . . . 18842 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18842 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 5 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 6 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 7 '3D H(CCO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 8 '3D HCCH-COSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 13 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 14 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 15 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 16 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18842 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 18842 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18842 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18842 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18842 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18842 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '3D 1H-15N NOESY' . . . 18842 1 10 '3D 1H-13C NOESY' . . . 18842 1 17 '3D 1H-15N NOESY' . . . 18842 1 18 '3D 1H-13C NOESY' . . . 18842 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.585 0.010 . 1 . . . A 1 PRO HA . 18842 1 2 . 1 1 1 1 PRO HB2 H 1 1.933 0.000 . 2 . . . A 1 PRO HB2 . 18842 1 3 . 1 1 1 1 PRO HB3 H 1 2.348 0.000 . 2 . . . A 1 PRO HB3 . 18842 1 4 . 1 1 1 1 PRO HG2 H 1 2.083 0.000 . 2 . . . A 1 PRO HG2 . 18842 1 5 . 1 1 1 1 PRO HG3 H 1 2.049 0.011 . 2 . . . A 1 PRO HG3 . 18842 1 6 . 1 1 1 1 PRO HD2 H 1 3.834 0.000 . 2 . . . A 1 PRO HD2 . 18842 1 7 . 1 1 1 1 PRO HD3 H 1 3.907 0.000 . 2 . . . A 1 PRO HD3 . 18842 1 8 . 1 1 1 1 PRO C C 13 176.937 0.000 . 1 . . . A 1 PRO C . 18842 1 9 . 1 1 1 1 PRO CA C 13 63.825 0.000 . 1 . . . A 1 PRO CA . 18842 1 10 . 1 1 1 1 PRO CG C 13 27.500 0.000 . 1 . . . A 1 PRO CG . 18842 1 11 . 1 1 1 1 PRO CD C 13 50.919 0.004 . 1 . . . A 1 PRO CD . 18842 1 12 . 1 1 2 2 SER H H 1 8.096 0.016 . 1 . . . A 2 SER H . 18842 1 13 . 1 1 2 2 SER HA H 1 4.355 0.003 . 1 . . . A 2 SER HA . 18842 1 14 . 1 1 2 2 SER HB2 H 1 3.793 0.002 . 2 . . . A 2 SER HB2 . 18842 1 15 . 1 1 2 2 SER HB3 H 1 3.881 0.007 . 2 . . . A 2 SER HB3 . 18842 1 16 . 1 1 2 2 SER CA C 13 58.647 0.058 . 1 . . . A 2 SER CA . 18842 1 17 . 1 1 2 2 SER CB C 13 63.504 0.011 . 1 . . . A 2 SER CB . 18842 1 18 . 1 1 2 2 SER N N 15 113.417 0.199 . 1 . . . A 2 SER N . 18842 1 19 . 1 1 3 3 HIS HA H 1 4.677 0.007 . 1 . . . A 3 HIS HA . 18842 1 20 . 1 1 3 3 HIS HB2 H 1 3.004 0.009 . 2 . . . A 3 HIS HB2 . 18842 1 21 . 1 1 3 3 HIS HB3 H 1 3.626 0.007 . 2 . . . A 3 HIS HB3 . 18842 1 22 . 1 1 3 3 HIS HD2 H 1 7.064 0.006 . 1 . . . A 3 HIS HD2 . 18842 1 23 . 1 1 3 3 HIS C C 13 173.601 0.000 . 1 . . . A 3 HIS C . 18842 1 24 . 1 1 3 3 HIS CA C 13 56.229 0.045 . 1 . . . A 3 HIS CA . 18842 1 25 . 1 1 3 3 HIS CB C 13 31.323 0.042 . 1 . . . A 3 HIS CB . 18842 1 26 . 1 1 3 3 HIS CD2 C 13 117.899 0.026 . 1 . . . A 3 HIS CD2 . 18842 1 27 . 1 1 4 4 SER H H 1 7.865 0.006 . 1 . . . A 4 SER H . 18842 1 28 . 1 1 4 4 SER HA H 1 5.483 0.008 . 1 . . . A 4 SER HA . 18842 1 29 . 1 1 4 4 SER HB2 H 1 3.874 0.008 . 2 . . . A 4 SER HB2 . 18842 1 30 . 1 1 4 4 SER HB3 H 1 3.918 0.000 . 2 . . . A 4 SER HB3 . 18842 1 31 . 1 1 4 4 SER C C 13 173.624 0.000 . 1 . . . A 4 SER C . 18842 1 32 . 1 1 4 4 SER CA C 13 56.904 0.014 . 1 . . . A 4 SER CA . 18842 1 33 . 1 1 4 4 SER CB C 13 65.900 0.074 . 1 . . . A 4 SER CB . 18842 1 34 . 1 1 4 4 SER N N 15 113.555 0.030 . 1 . . . A 4 SER N . 18842 1 35 . 1 1 5 5 GLY H H 1 8.370 0.007 . 1 . . . A 5 GLY H . 18842 1 36 . 1 1 5 5 GLY HA2 H 1 4.267 0.009 . 2 . . . A 5 GLY HA2 . 18842 1 37 . 1 1 5 5 GLY HA3 H 1 4.076 0.006 . 2 . . . A 5 GLY HA3 . 18842 1 38 . 1 1 5 5 GLY C C 13 170.915 0.000 . 1 . . . A 5 GLY C . 18842 1 39 . 1 1 5 5 GLY CA C 13 45.417 0.031 . 1 . . . A 5 GLY CA . 18842 1 40 . 1 1 5 5 GLY N N 15 107.050 0.014 . 1 . . . A 5 GLY N . 18842 1 41 . 1 1 6 6 ALA H H 1 8.671 0.005 . 1 . . . A 6 ALA H . 18842 1 42 . 1 1 6 6 ALA HA H 1 4.953 0.008 . 1 . . . A 6 ALA HA . 18842 1 43 . 1 1 6 6 ALA HB1 H 1 1.554 0.005 . 1 . . . A 6 ALA HB1 . 18842 1 44 . 1 1 6 6 ALA HB2 H 1 1.554 0.005 . 1 . . . A 6 ALA HB2 . 18842 1 45 . 1 1 6 6 ALA HB3 H 1 1.554 0.005 . 1 . . . A 6 ALA HB3 . 18842 1 46 . 1 1 6 6 ALA C C 13 176.816 0.000 . 1 . . . A 6 ALA C . 18842 1 47 . 1 1 6 6 ALA CA C 13 52.605 0.025 . 1 . . . A 6 ALA CA . 18842 1 48 . 1 1 6 6 ALA CB C 13 19.373 0.010 . 1 . . . A 6 ALA CB . 18842 1 49 . 1 1 6 6 ALA N N 15 125.347 0.025 . 1 . . . A 6 ALA N . 18842 1 50 . 1 1 7 7 ALA H H 1 8.391 0.002 . 1 . . . A 7 ALA H . 18842 1 51 . 1 1 7 7 ALA HA H 1 4.662 0.008 . 1 . . . A 7 ALA HA . 18842 1 52 . 1 1 7 7 ALA HB1 H 1 1.005 0.008 . 1 . . . A 7 ALA HB1 . 18842 1 53 . 1 1 7 7 ALA HB2 H 1 1.005 0.008 . 1 . . . A 7 ALA HB2 . 18842 1 54 . 1 1 7 7 ALA HB3 H 1 1.005 0.008 . 1 . . . A 7 ALA HB3 . 18842 1 55 . 1 1 7 7 ALA C C 13 176.697 0.000 . 1 . . . A 7 ALA C . 18842 1 56 . 1 1 7 7 ALA CA C 13 51.668 0.017 . 1 . . . A 7 ALA CA . 18842 1 57 . 1 1 7 7 ALA CB C 13 24.048 0.051 . 1 . . . A 7 ALA CB . 18842 1 58 . 1 1 7 7 ALA N N 15 120.077 0.046 . 1 . . . A 7 ALA N . 18842 1 59 . 1 1 8 8 ILE H H 1 9.383 0.003 . 1 . . . A 8 ILE H . 18842 1 60 . 1 1 8 8 ILE HA H 1 4.987 0.013 . 1 . . . A 8 ILE HA . 18842 1 61 . 1 1 8 8 ILE HB H 1 1.591 0.011 . 1 . . . A 8 ILE HB . 18842 1 62 . 1 1 8 8 ILE HG12 H 1 1.511 0.008 . 2 . . . A 8 ILE HG12 . 18842 1 63 . 1 1 8 8 ILE HG13 H 1 0.972 0.009 . 2 . . . A 8 ILE HG13 . 18842 1 64 . 1 1 8 8 ILE HG21 H 1 0.617 0.007 . 1 . . . A 8 ILE HG21 . 18842 1 65 . 1 1 8 8 ILE HG22 H 1 0.617 0.007 . 1 . . . A 8 ILE HG22 . 18842 1 66 . 1 1 8 8 ILE HG23 H 1 0.617 0.007 . 1 . . . A 8 ILE HG23 . 18842 1 67 . 1 1 8 8 ILE HD11 H 1 0.780 0.008 . 1 . . . A 8 ILE HD11 . 18842 1 68 . 1 1 8 8 ILE HD12 H 1 0.780 0.008 . 1 . . . A 8 ILE HD12 . 18842 1 69 . 1 1 8 8 ILE HD13 H 1 0.780 0.008 . 1 . . . A 8 ILE HD13 . 18842 1 70 . 1 1 8 8 ILE C C 13 175.327 0.000 . 1 . . . A 8 ILE C . 18842 1 71 . 1 1 8 8 ILE CA C 13 59.844 0.026 . 1 . . . A 8 ILE CA . 18842 1 72 . 1 1 8 8 ILE CB C 13 39.589 0.033 . 1 . . . A 8 ILE CB . 18842 1 73 . 1 1 8 8 ILE CG1 C 13 29.044 0.000 . 1 . . . A 8 ILE CG1 . 18842 1 74 . 1 1 8 8 ILE CG2 C 13 17.348 0.008 . 1 . . . A 8 ILE CG2 . 18842 1 75 . 1 1 8 8 ILE CD1 C 13 13.759 0.042 . 1 . . . A 8 ILE CD1 . 18842 1 76 . 1 1 8 8 ILE N N 15 125.517 0.027 . 1 . . . A 8 ILE N . 18842 1 77 . 1 1 9 9 PHE H H 1 8.467 0.009 . 1 . . . A 9 PHE H . 18842 1 78 . 1 1 9 9 PHE HA H 1 4.317 0.010 . 1 . . . A 9 PHE HA . 18842 1 79 . 1 1 9 9 PHE HB2 H 1 2.572 0.002 . 2 . . . A 9 PHE HB2 . 18842 1 80 . 1 1 9 9 PHE HB3 H 1 2.745 0.008 . 2 . . . A 9 PHE HB3 . 18842 1 81 . 1 1 9 9 PHE HD1 H 1 6.164 0.007 . 3 . . . A 9 PHE HD1 . 18842 1 82 . 1 1 9 9 PHE HD2 H 1 6.164 0.007 . 3 . . . A 9 PHE HD2 . 18842 1 83 . 1 1 9 9 PHE HE1 H 1 6.565 0.005 . 3 . . . A 9 PHE HE1 . 18842 1 84 . 1 1 9 9 PHE HE2 H 1 6.565 0.005 . 3 . . . A 9 PHE HE2 . 18842 1 85 . 1 1 9 9 PHE HZ H 1 6.324 0.002 . 1 . . . A 9 PHE HZ . 18842 1 86 . 1 1 9 9 PHE C C 13 173.920 0.000 . 1 . . . A 9 PHE C . 18842 1 87 . 1 1 9 9 PHE CA C 13 56.118 0.034 . 1 . . . A 9 PHE CA . 18842 1 88 . 1 1 9 9 PHE CB C 13 39.825 0.038 . 1 . . . A 9 PHE CB . 18842 1 89 . 1 1 9 9 PHE CD1 C 13 131.038 0.049 . 3 . . . A 9 PHE CD1 . 18842 1 90 . 1 1 9 9 PHE CD2 C 13 131.038 0.049 . 3 . . . A 9 PHE CD2 . 18842 1 91 . 1 1 9 9 PHE CE1 C 13 129.201 0.045 . 3 . . . A 9 PHE CE1 . 18842 1 92 . 1 1 9 9 PHE CE2 C 13 129.201 0.045 . 3 . . . A 9 PHE CE2 . 18842 1 93 . 1 1 9 9 PHE CZ C 13 127.920 0.007 . 1 . . . A 9 PHE CZ . 18842 1 94 . 1 1 9 9 PHE N N 15 128.853 0.054 . 1 . . . A 9 PHE N . 18842 1 95 . 1 1 10 10 GLU H H 1 8.769 0.017 . 1 . . . A 10 GLU H . 18842 1 96 . 1 1 10 10 GLU HA H 1 3.202 0.007 . 1 . . . A 10 GLU HA . 18842 1 97 . 1 1 10 10 GLU HB2 H 1 1.585 0.003 . 2 . . . A 10 GLU HB2 . 18842 1 98 . 1 1 10 10 GLU HB3 H 1 1.211 0.013 . 2 . . . A 10 GLU HB3 . 18842 1 99 . 1 1 10 10 GLU HG2 H 1 0.691 0.006 . 2 . . . A 10 GLU HG2 . 18842 1 100 . 1 1 10 10 GLU HG3 H 1 0.954 0.004 . 2 . . . A 10 GLU HG3 . 18842 1 101 . 1 1 10 10 GLU C C 13 175.226 0.000 . 1 . . . A 10 GLU C . 18842 1 102 . 1 1 10 10 GLU CA C 13 56.680 0.014 . 1 . . . A 10 GLU CA . 18842 1 103 . 1 1 10 10 GLU CB C 13 26.695 0.014 . 1 . . . A 10 GLU CB . 18842 1 104 . 1 1 10 10 GLU CG C 13 35.353 0.028 . 1 . . . A 10 GLU CG . 18842 1 105 . 1 1 10 10 GLU N N 15 126.396 0.065 . 1 . . . A 10 GLU N . 18842 1 106 . 1 1 11 11 LYS H H 1 7.931 0.013 . 1 . . . A 11 LYS H . 18842 1 107 . 1 1 11 11 LYS HA H 1 3.402 0.005 . 1 . . . A 11 LYS HA . 18842 1 108 . 1 1 11 11 LYS HB2 H 1 2.186 0.011 . 2 . . . A 11 LYS HB2 . 18842 1 109 . 1 1 11 11 LYS HB3 H 1 1.958 0.008 . 2 . . . A 11 LYS HB3 . 18842 1 110 . 1 1 11 11 LYS HG3 H 1 1.191 0.006 . 1 . . . A 11 LYS HG3 . 18842 1 111 . 1 1 11 11 LYS HD2 H 1 1.554 0.009 . 2 . . . A 11 LYS HD2 . 18842 1 112 . 1 1 11 11 LYS HD3 H 1 1.627 0.000 . 2 . . . A 11 LYS HD3 . 18842 1 113 . 1 1 11 11 LYS HE3 H 1 2.889 0.005 . 1 . . . A 11 LYS HE3 . 18842 1 114 . 1 1 11 11 LYS C C 13 175.596 0.000 . 1 . . . A 11 LYS C . 18842 1 115 . 1 1 11 11 LYS CA C 13 58.448 0.023 . 1 . . . A 11 LYS CA . 18842 1 116 . 1 1 11 11 LYS CB C 13 30.134 0.028 . 1 . . . A 11 LYS CB . 18842 1 117 . 1 1 11 11 LYS CG C 13 25.698 0.014 . 1 . . . A 11 LYS CG . 18842 1 118 . 1 1 11 11 LYS CD C 13 29.100 0.000 . 1 . . . A 11 LYS CD . 18842 1 119 . 1 1 11 11 LYS N N 15 105.585 0.059 . 1 . . . A 11 LYS N . 18842 1 120 . 1 1 12 12 VAL H H 1 7.954 0.004 . 1 . . . A 12 VAL H . 18842 1 121 . 1 1 12 12 VAL HA H 1 4.417 0.005 . 1 . . . A 12 VAL HA . 18842 1 122 . 1 1 12 12 VAL HB H 1 2.549 0.005 . 1 . . . A 12 VAL HB . 18842 1 123 . 1 1 12 12 VAL HG11 H 1 1.134 0.004 . 2 . . . A 12 VAL HG11 . 18842 1 124 . 1 1 12 12 VAL HG12 H 1 1.134 0.004 . 2 . . . A 12 VAL HG12 . 18842 1 125 . 1 1 12 12 VAL HG13 H 1 1.134 0.004 . 2 . . . A 12 VAL HG13 . 18842 1 126 . 1 1 12 12 VAL HG21 H 1 1.489 0.005 . 2 . . . A 12 VAL HG21 . 18842 1 127 . 1 1 12 12 VAL HG22 H 1 1.489 0.005 . 2 . . . A 12 VAL HG22 . 18842 1 128 . 1 1 12 12 VAL HG23 H 1 1.489 0.005 . 2 . . . A 12 VAL HG23 . 18842 1 129 . 1 1 12 12 VAL C C 13 175.188 0.000 . 1 . . . A 12 VAL C . 18842 1 130 . 1 1 12 12 VAL CA C 13 61.685 0.024 . 1 . . . A 12 VAL CA . 18842 1 131 . 1 1 12 12 VAL CB C 13 34.179 0.025 . 1 . . . A 12 VAL CB . 18842 1 132 . 1 1 12 12 VAL CG1 C 13 22.126 0.032 . 2 . . . A 12 VAL CG1 . 18842 1 133 . 1 1 12 12 VAL CG2 C 13 22.614 0.027 . 2 . . . A 12 VAL CG2 . 18842 1 134 . 1 1 12 12 VAL N N 15 123.819 0.040 . 1 . . . A 12 VAL N . 18842 1 135 . 1 1 13 13 SER H H 1 8.895 0.003 . 1 . . . A 13 SER H . 18842 1 136 . 1 1 13 13 SER HA H 1 4.624 0.007 . 1 . . . A 13 SER HA . 18842 1 137 . 1 1 13 13 SER HB2 H 1 4.031 0.012 . 2 . . . A 13 SER HB2 . 18842 1 138 . 1 1 13 13 SER HB3 H 1 4.010 0.014 . 2 . . . A 13 SER HB3 . 18842 1 139 . 1 1 13 13 SER C C 13 175.408 0.000 . 1 . . . A 13 SER C . 18842 1 140 . 1 1 13 13 SER CA C 13 59.766 0.018 . 1 . . . A 13 SER CA . 18842 1 141 . 1 1 13 13 SER CB C 13 63.591 0.046 . 1 . . . A 13 SER CB . 18842 1 142 . 1 1 13 13 SER N N 15 121.981 0.031 . 1 . . . A 13 SER N . 18842 1 143 . 1 1 14 14 GLY H H 1 8.287 0.009 . 1 . . . A 14 GLY H . 18842 1 144 . 1 1 14 14 GLY HA2 H 1 4.350 0.010 . 2 . . . A 14 GLY HA2 . 18842 1 145 . 1 1 14 14 GLY HA3 H 1 4.149 0.014 . 2 . . . A 14 GLY HA3 . 18842 1 146 . 1 1 14 14 GLY C C 13 172.790 0.000 . 1 . . . A 14 GLY C . 18842 1 147 . 1 1 14 14 GLY CA C 13 46.537 0.034 . 1 . . . A 14 GLY CA . 18842 1 148 . 1 1 14 14 GLY N N 15 113.215 0.068 . 1 . . . A 14 GLY N . 18842 1 149 . 1 1 15 15 ILE H H 1 8.330 0.004 . 1 . . . A 15 ILE H . 18842 1 150 . 1 1 15 15 ILE HA H 1 4.820 0.013 . 1 . . . A 15 ILE HA . 18842 1 151 . 1 1 15 15 ILE HB H 1 1.647 0.022 . 1 . . . A 15 ILE HB . 18842 1 152 . 1 1 15 15 ILE HG13 H 1 1.092 0.006 . 1 . . . A 15 ILE HG13 . 18842 1 153 . 1 1 15 15 ILE HG21 H 1 0.781 0.004 . 1 . . . A 15 ILE HG21 . 18842 1 154 . 1 1 15 15 ILE HG22 H 1 0.781 0.004 . 1 . . . A 15 ILE HG22 . 18842 1 155 . 1 1 15 15 ILE HG23 H 1 0.781 0.004 . 1 . . . A 15 ILE HG23 . 18842 1 156 . 1 1 15 15 ILE HD11 H 1 0.782 0.002 . 1 . . . A 15 ILE HD11 . 18842 1 157 . 1 1 15 15 ILE HD12 H 1 0.782 0.002 . 1 . . . A 15 ILE HD12 . 18842 1 158 . 1 1 15 15 ILE HD13 H 1 0.782 0.002 . 1 . . . A 15 ILE HD13 . 18842 1 159 . 1 1 15 15 ILE C C 13 175.417 0.000 . 1 . . . A 15 ILE C . 18842 1 160 . 1 1 15 15 ILE CA C 13 59.303 0.028 . 1 . . . A 15 ILE CA . 18842 1 161 . 1 1 15 15 ILE CB C 13 41.796 0.000 . 1 . . . A 15 ILE CB . 18842 1 162 . 1 1 15 15 ILE CG1 C 13 27.400 0.101 . 1 . . . A 15 ILE CG1 . 18842 1 163 . 1 1 15 15 ILE CG2 C 13 17.414 0.036 . 1 . . . A 15 ILE CG2 . 18842 1 164 . 1 1 15 15 ILE CD1 C 13 12.179 0.021 . 1 . . . A 15 ILE CD1 . 18842 1 165 . 1 1 15 15 ILE N N 15 123.244 0.024 . 1 . . . A 15 ILE N . 18842 1 166 . 1 1 16 16 ILE H H 1 9.438 0.005 . 1 . . . A 16 ILE H . 18842 1 167 . 1 1 16 16 ILE HA H 1 4.967 0.015 . 1 . . . A 16 ILE HA . 18842 1 168 . 1 1 16 16 ILE HB H 1 1.630 0.013 . 1 . . . A 16 ILE HB . 18842 1 169 . 1 1 16 16 ILE HG12 H 1 1.570 0.013 . 2 . . . A 16 ILE HG12 . 18842 1 170 . 1 1 16 16 ILE HG13 H 1 0.776 0.007 . 2 . . . A 16 ILE HG13 . 18842 1 171 . 1 1 16 16 ILE HG21 H 1 0.779 0.005 . 1 . . . A 16 ILE HG21 . 18842 1 172 . 1 1 16 16 ILE HG22 H 1 0.779 0.005 . 1 . . . A 16 ILE HG22 . 18842 1 173 . 1 1 16 16 ILE HG23 H 1 0.779 0.005 . 1 . . . A 16 ILE HG23 . 18842 1 174 . 1 1 16 16 ILE HD11 H 1 0.158 0.005 . 1 . . . A 16 ILE HD11 . 18842 1 175 . 1 1 16 16 ILE HD12 H 1 0.158 0.005 . 1 . . . A 16 ILE HD12 . 18842 1 176 . 1 1 16 16 ILE HD13 H 1 0.158 0.005 . 1 . . . A 16 ILE HD13 . 18842 1 177 . 1 1 16 16 ILE C C 13 173.248 0.000 . 1 . . . A 16 ILE C . 18842 1 178 . 1 1 16 16 ILE CA C 13 59.812 0.026 . 1 . . . A 16 ILE CA . 18842 1 179 . 1 1 16 16 ILE CB C 13 41.723 0.063 . 1 . . . A 16 ILE CB . 18842 1 180 . 1 1 16 16 ILE CG1 C 13 29.775 0.017 . 1 . . . A 16 ILE CG1 . 18842 1 181 . 1 1 16 16 ILE CG2 C 13 16.808 0.035 . 1 . . . A 16 ILE CG2 . 18842 1 182 . 1 1 16 16 ILE CD1 C 13 13.918 0.038 . 1 . . . A 16 ILE CD1 . 18842 1 183 . 1 1 16 16 ILE N N 15 127.640 0.018 . 1 . . . A 16 ILE N . 18842 1 184 . 1 1 17 17 ALA H H 1 8.968 0.005 . 1 . . . A 17 ALA H . 18842 1 185 . 1 1 17 17 ALA HA H 1 5.105 0.011 . 1 . . . A 17 ALA HA . 18842 1 186 . 1 1 17 17 ALA HB1 H 1 1.359 0.008 . 1 . . . A 17 ALA HB1 . 18842 1 187 . 1 1 17 17 ALA HB2 H 1 1.359 0.008 . 1 . . . A 17 ALA HB2 . 18842 1 188 . 1 1 17 17 ALA HB3 H 1 1.359 0.008 . 1 . . . A 17 ALA HB3 . 18842 1 189 . 1 1 17 17 ALA C C 13 177.510 0.000 . 1 . . . A 17 ALA C . 18842 1 190 . 1 1 17 17 ALA CA C 13 51.445 0.322 . 1 . . . A 17 ALA CA . 18842 1 191 . 1 1 17 17 ALA CB C 13 22.161 0.011 . 1 . . . A 17 ALA CB . 18842 1 192 . 1 1 17 17 ALA N N 15 127.760 0.041 . 1 . . . A 17 ALA N . 18842 1 193 . 1 1 18 18 ILE H H 1 8.665 0.006 . 1 . . . A 18 ILE H . 18842 1 194 . 1 1 18 18 ILE HA H 1 4.591 0.015 . 1 . . . A 18 ILE HA . 18842 1 195 . 1 1 18 18 ILE HB H 1 1.843 0.014 . 1 . . . A 18 ILE HB . 18842 1 196 . 1 1 18 18 ILE HG12 H 1 0.970 0.011 . 2 . . . A 18 ILE HG12 . 18842 1 197 . 1 1 18 18 ILE HG13 H 1 1.520 0.006 . 2 . . . A 18 ILE HG13 . 18842 1 198 . 1 1 18 18 ILE HG21 H 1 0.702 0.007 . 1 . . . A 18 ILE HG21 . 18842 1 199 . 1 1 18 18 ILE HG22 H 1 0.702 0.007 . 1 . . . A 18 ILE HG22 . 18842 1 200 . 1 1 18 18 ILE HG23 H 1 0.702 0.007 . 1 . . . A 18 ILE HG23 . 18842 1 201 . 1 1 18 18 ILE HD11 H 1 0.796 0.008 . 1 . . . A 18 ILE HD11 . 18842 1 202 . 1 1 18 18 ILE HD12 H 1 0.796 0.008 . 1 . . . A 18 ILE HD12 . 18842 1 203 . 1 1 18 18 ILE HD13 H 1 0.796 0.008 . 1 . . . A 18 ILE HD13 . 18842 1 204 . 1 1 18 18 ILE C C 13 174.334 0.000 . 1 . . . A 18 ILE C . 18842 1 205 . 1 1 18 18 ILE CA C 13 60.656 0.031 . 1 . . . A 18 ILE CA . 18842 1 206 . 1 1 18 18 ILE CB C 13 39.064 0.042 . 1 . . . A 18 ILE CB . 18842 1 207 . 1 1 18 18 ILE CG1 C 13 29.019 0.051 . 1 . . . A 18 ILE CG1 . 18842 1 208 . 1 1 18 18 ILE CG2 C 13 18.098 0.018 . 1 . . . A 18 ILE CG2 . 18842 1 209 . 1 1 18 18 ILE CD1 C 13 14.901 0.015 . 1 . . . A 18 ILE CD1 . 18842 1 210 . 1 1 18 18 ILE N N 15 122.269 0.032 . 1 . . . A 18 ILE N . 18842 1 211 . 1 1 19 19 ASN H H 1 9.378 0.004 . 1 . . . A 19 ASN H . 18842 1 212 . 1 1 19 19 ASN HA H 1 5.080 0.016 . 1 . . . A 19 ASN HA . 18842 1 213 . 1 1 19 19 ASN HB2 H 1 3.122 0.010 . 2 . . . A 19 ASN HB2 . 18842 1 214 . 1 1 19 19 ASN HB3 H 1 2.747 0.006 . 2 . . . A 19 ASN HB3 . 18842 1 215 . 1 1 19 19 ASN HD21 H 1 7.713 0.001 . 1 . . . A 19 ASN HD21 . 18842 1 216 . 1 1 19 19 ASN HD22 H 1 6.862 0.005 . 1 . . . A 19 ASN HD22 . 18842 1 217 . 1 1 19 19 ASN C C 13 174.784 0.000 . 1 . . . A 19 ASN C . 18842 1 218 . 1 1 19 19 ASN CA C 13 51.638 0.020 . 1 . . . A 19 ASN CA . 18842 1 219 . 1 1 19 19 ASN CB C 13 39.591 0.022 . 1 . . . A 19 ASN CB . 18842 1 220 . 1 1 19 19 ASN CG C 13 176.780 0.013 . 1 . . . A 19 ASN CG . 18842 1 221 . 1 1 19 19 ASN N N 15 127.568 0.025 . 1 . . . A 19 ASN N . 18842 1 222 . 1 1 19 19 ASN ND2 N 15 110.676 0.153 . 1 . . . A 19 ASN ND2 . 18842 1 223 . 1 1 20 20 GLU H H 1 9.046 0.009 . 1 . . . A 20 GLU H . 18842 1 224 . 1 1 20 20 GLU HA H 1 4.703 0.013 . 1 . . . A 20 GLU HA . 18842 1 225 . 1 1 20 20 GLU HB2 H 1 2.421 0.008 . 2 . . . A 20 GLU HB2 . 18842 1 226 . 1 1 20 20 GLU HB3 H 1 2.002 0.004 . 2 . . . A 20 GLU HB3 . 18842 1 227 . 1 1 20 20 GLU HG2 H 1 2.070 0.009 . 2 . . . A 20 GLU HG2 . 18842 1 228 . 1 1 20 20 GLU HG3 H 1 2.203 0.008 . 2 . . . A 20 GLU HG3 . 18842 1 229 . 1 1 20 20 GLU C C 13 176.152 0.000 . 1 . . . A 20 GLU C . 18842 1 230 . 1 1 20 20 GLU CA C 13 55.891 0.016 . 1 . . . A 20 GLU CA . 18842 1 231 . 1 1 20 20 GLU CB C 13 30.867 0.045 . 1 . . . A 20 GLU CB . 18842 1 232 . 1 1 20 20 GLU CG C 13 39.076 0.034 . 1 . . . A 20 GLU CG . 18842 1 233 . 1 1 20 20 GLU N N 15 121.587 0.088 . 1 . . . A 20 GLU N . 18842 1 234 . 1 1 21 21 ASP H H 1 8.724 0.008 . 1 . . . A 21 ASP H . 18842 1 235 . 1 1 21 21 ASP HA H 1 4.619 0.004 . 1 . . . A 21 ASP HA . 18842 1 236 . 1 1 21 21 ASP HB2 H 1 2.822 0.035 . 2 . . . A 21 ASP HB2 . 18842 1 237 . 1 1 21 21 ASP HB3 H 1 2.866 0.030 . 2 . . . A 21 ASP HB3 . 18842 1 238 . 1 1 21 21 ASP C C 13 175.688 0.000 . 1 . . . A 21 ASP C . 18842 1 239 . 1 1 21 21 ASP CA C 13 55.512 0.021 . 1 . . . A 21 ASP CA . 18842 1 240 . 1 1 21 21 ASP CB C 13 40.476 0.047 . 1 . . . A 21 ASP CB . 18842 1 241 . 1 1 21 21 ASP N N 15 121.077 0.112 . 1 . . . A 21 ASP N . 18842 1 242 . 1 1 22 22 VAL H H 1 6.844 0.003 . 1 . . . A 22 VAL H . 18842 1 243 . 1 1 22 22 VAL HA H 1 4.318 0.005 . 1 . . . A 22 VAL HA . 18842 1 244 . 1 1 22 22 VAL HB H 1 2.009 0.005 . 1 . . . A 22 VAL HB . 18842 1 245 . 1 1 22 22 VAL HG11 H 1 0.784 0.006 . 2 . . . A 22 VAL HG11 . 18842 1 246 . 1 1 22 22 VAL HG12 H 1 0.784 0.006 . 2 . . . A 22 VAL HG12 . 18842 1 247 . 1 1 22 22 VAL HG13 H 1 0.784 0.006 . 2 . . . A 22 VAL HG13 . 18842 1 248 . 1 1 22 22 VAL HG21 H 1 0.835 0.001 . 2 . . . A 22 VAL HG21 . 18842 1 249 . 1 1 22 22 VAL HG22 H 1 0.835 0.001 . 2 . . . A 22 VAL HG22 . 18842 1 250 . 1 1 22 22 VAL HG23 H 1 0.835 0.001 . 2 . . . A 22 VAL HG23 . 18842 1 251 . 1 1 22 22 VAL C C 13 173.445 0.000 . 1 . . . A 22 VAL C . 18842 1 252 . 1 1 22 22 VAL CA C 13 59.049 0.021 . 1 . . . A 22 VAL CA . 18842 1 253 . 1 1 22 22 VAL CB C 13 34.022 0.011 . 1 . . . A 22 VAL CB . 18842 1 254 . 1 1 22 22 VAL CG1 C 13 18.045 0.037 . 2 . . . A 22 VAL CG1 . 18842 1 255 . 1 1 22 22 VAL CG2 C 13 21.300 0.000 . 2 . . . A 22 VAL CG2 . 18842 1 256 . 1 1 22 22 VAL N N 15 113.035 0.046 . 1 . . . A 22 VAL N . 18842 1 257 . 1 1 23 23 SER H H 1 8.046 0.002 . 1 . . . A 23 SER H . 18842 1 258 . 1 1 23 23 SER HA H 1 4.735 0.005 . 1 . . . A 23 SER HA . 18842 1 259 . 1 1 23 23 SER HB2 H 1 3.739 0.005 . 2 . . . A 23 SER HB2 . 18842 1 260 . 1 1 23 23 SER HB3 H 1 3.614 0.003 . 2 . . . A 23 SER HB3 . 18842 1 261 . 1 1 23 23 SER CA C 13 53.765 0.032 . 1 . . . A 23 SER CA . 18842 1 262 . 1 1 23 23 SER CB C 13 64.743 0.026 . 1 . . . A 23 SER CB . 18842 1 263 . 1 1 23 23 SER N N 15 114.945 0.006 . 1 . . . A 23 SER N . 18842 1 264 . 1 1 24 24 PRO HA H 1 4.768 0.014 . 1 . . . A 24 PRO HA . 18842 1 265 . 1 1 24 24 PRO HB2 H 1 1.808 0.017 . 2 . . . A 24 PRO HB2 . 18842 1 266 . 1 1 24 24 PRO HB3 H 1 2.134 0.006 . 2 . . . A 24 PRO HB3 . 18842 1 267 . 1 1 24 24 PRO HG2 H 1 1.838 0.006 . 2 . . . A 24 PRO HG2 . 18842 1 268 . 1 1 24 24 PRO HG3 H 1 1.781 0.004 . 2 . . . A 24 PRO HG3 . 18842 1 269 . 1 1 24 24 PRO HD3 H 1 3.480 0.006 . 1 . . . A 24 PRO HD3 . 18842 1 270 . 1 1 24 24 PRO C C 13 174.807 0.000 . 1 . . . A 24 PRO C . 18842 1 271 . 1 1 24 24 PRO CA C 13 62.760 0.038 . 1 . . . A 24 PRO CA . 18842 1 272 . 1 1 24 24 PRO CB C 13 34.741 0.068 . 1 . . . A 24 PRO CB . 18842 1 273 . 1 1 24 24 PRO CG C 13 25.987 0.023 . 1 . . . A 24 PRO CG . 18842 1 274 . 1 1 24 24 PRO CD C 13 49.714 0.020 . 1 . . . A 24 PRO CD . 18842 1 275 . 1 1 25 25 ALA H H 1 7.979 0.003 . 1 . . . A 25 ALA H . 18842 1 276 . 1 1 25 25 ALA HA H 1 4.515 0.008 . 1 . . . A 25 ALA HA . 18842 1 277 . 1 1 25 25 ALA HB1 H 1 1.547 0.005 . 1 . . . A 25 ALA HB1 . 18842 1 278 . 1 1 25 25 ALA HB2 H 1 1.547 0.005 . 1 . . . A 25 ALA HB2 . 18842 1 279 . 1 1 25 25 ALA HB3 H 1 1.547 0.005 . 1 . . . A 25 ALA HB3 . 18842 1 280 . 1 1 25 25 ALA C C 13 175.790 0.000 . 1 . . . A 25 ALA C . 18842 1 281 . 1 1 25 25 ALA CA C 13 52.533 0.004 . 1 . . . A 25 ALA CA . 18842 1 282 . 1 1 25 25 ALA CB C 13 20.582 0.019 . 1 . . . A 25 ALA CB . 18842 1 283 . 1 1 25 25 ALA N N 15 120.415 0.019 . 1 . . . A 25 ALA N . 18842 1 284 . 1 1 26 26 GLU H H 1 7.851 0.004 . 1 . . . A 26 GLU H . 18842 1 285 . 1 1 26 26 GLU HA H 1 5.039 0.007 . 1 . . . A 26 GLU HA . 18842 1 286 . 1 1 26 26 GLU HB2 H 1 1.714 0.014 . 2 . . . A 26 GLU HB2 . 18842 1 287 . 1 1 26 26 GLU HB3 H 1 1.786 0.019 . 2 . . . A 26 GLU HB3 . 18842 1 288 . 1 1 26 26 GLU HG2 H 1 1.999 0.008 . 2 . . . A 26 GLU HG2 . 18842 1 289 . 1 1 26 26 GLU HG3 H 1 2.355 0.011 . 2 . . . A 26 GLU HG3 . 18842 1 290 . 1 1 26 26 GLU C C 13 174.619 0.000 . 1 . . . A 26 GLU C . 18842 1 291 . 1 1 26 26 GLU CA C 13 54.029 0.043 . 1 . . . A 26 GLU CA . 18842 1 292 . 1 1 26 26 GLU CB C 13 34.616 0.067 . 1 . . . A 26 GLU CB . 18842 1 293 . 1 1 26 26 GLU CG C 13 36.163 0.067 . 1 . . . A 26 GLU CG . 18842 1 294 . 1 1 26 26 GLU N N 15 115.395 0.029 . 1 . . . A 26 GLU N . 18842 1 295 . 1 1 27 27 LEU H H 1 8.898 0.004 . 1 . . . A 27 LEU H . 18842 1 296 . 1 1 27 27 LEU HA H 1 5.026 0.013 . 1 . . . A 27 LEU HA . 18842 1 297 . 1 1 27 27 LEU HB2 H 1 1.628 0.014 . 2 . . . A 27 LEU HB2 . 18842 1 298 . 1 1 27 27 LEU HB3 H 1 1.394 0.013 . 2 . . . A 27 LEU HB3 . 18842 1 299 . 1 1 27 27 LEU HG H 1 1.407 0.004 . 1 . . . A 27 LEU HG . 18842 1 300 . 1 1 27 27 LEU HD11 H 1 0.671 0.012 . 2 . . . A 27 LEU HD11 . 18842 1 301 . 1 1 27 27 LEU HD12 H 1 0.671 0.012 . 2 . . . A 27 LEU HD12 . 18842 1 302 . 1 1 27 27 LEU HD13 H 1 0.671 0.012 . 2 . . . A 27 LEU HD13 . 18842 1 303 . 1 1 27 27 LEU HD21 H 1 0.576 0.006 . 2 . . . A 27 LEU HD21 . 18842 1 304 . 1 1 27 27 LEU HD22 H 1 0.576 0.006 . 2 . . . A 27 LEU HD22 . 18842 1 305 . 1 1 27 27 LEU HD23 H 1 0.576 0.006 . 2 . . . A 27 LEU HD23 . 18842 1 306 . 1 1 27 27 LEU C C 13 174.740 0.000 . 1 . . . A 27 LEU C . 18842 1 307 . 1 1 27 27 LEU CA C 13 53.781 0.023 . 1 . . . A 27 LEU CA . 18842 1 308 . 1 1 27 27 LEU CB C 13 45.609 0.029 . 1 . . . A 27 LEU CB . 18842 1 309 . 1 1 27 27 LEU CG C 13 27.392 0.032 . 1 . . . A 27 LEU CG . 18842 1 310 . 1 1 27 27 LEU CD1 C 13 27.340 0.033 . 2 . . . A 27 LEU CD1 . 18842 1 311 . 1 1 27 27 LEU CD2 C 13 25.818 0.028 . 2 . . . A 27 LEU CD2 . 18842 1 312 . 1 1 27 27 LEU N N 15 124.661 0.033 . 1 . . . A 27 LEU N . 18842 1 313 . 1 1 28 28 THR H H 1 9.283 0.002 . 1 . . . A 28 THR H . 18842 1 314 . 1 1 28 28 THR HA H 1 5.207 0.023 . 1 . . . A 28 THR HA . 18842 1 315 . 1 1 28 28 THR HB H 1 3.960 0.006 . 1 . . . A 28 THR HB . 18842 1 316 . 1 1 28 28 THR HG21 H 1 1.135 0.005 . 1 . . . A 28 THR HG21 . 18842 1 317 . 1 1 28 28 THR HG22 H 1 1.135 0.005 . 1 . . . A 28 THR HG22 . 18842 1 318 . 1 1 28 28 THR HG23 H 1 1.135 0.005 . 1 . . . A 28 THR HG23 . 18842 1 319 . 1 1 28 28 THR C C 13 172.661 0.000 . 1 . . . A 28 THR C . 18842 1 320 . 1 1 28 28 THR CA C 13 61.178 0.088 . 1 . . . A 28 THR CA . 18842 1 321 . 1 1 28 28 THR CB C 13 71.422 0.013 . 1 . . . A 28 THR CB . 18842 1 322 . 1 1 28 28 THR CG2 C 13 22.031 0.068 . 1 . . . A 28 THR CG2 . 18842 1 323 . 1 1 28 28 THR N N 15 121.731 0.049 . 1 . . . A 28 THR N . 18842 1 324 . 1 1 29 29 TRP H H 1 9.399 0.009 . 1 . . . A 29 TRP H . 18842 1 325 . 1 1 29 29 TRP HA H 1 5.431 0.006 . 1 . . . A 29 TRP HA . 18842 1 326 . 1 1 29 29 TRP HB2 H 1 2.803 0.012 . 2 . . . A 29 TRP HB2 . 18842 1 327 . 1 1 29 29 TRP HB3 H 1 3.153 0.012 . 2 . . . A 29 TRP HB3 . 18842 1 328 . 1 1 29 29 TRP HD1 H 1 6.682 0.016 . 1 . . . A 29 TRP HD1 . 18842 1 329 . 1 1 29 29 TRP HE1 H 1 9.517 0.004 . 1 . . . A 29 TRP HE1 . 18842 1 330 . 1 1 29 29 TRP HE3 H 1 7.357 0.015 . 1 . . . A 29 TRP HE3 . 18842 1 331 . 1 1 29 29 TRP HZ2 H 1 7.637 0.014 . 1 . . . A 29 TRP HZ2 . 18842 1 332 . 1 1 29 29 TRP HZ3 H 1 6.904 0.009 . 1 . . . A 29 TRP HZ3 . 18842 1 333 . 1 1 29 29 TRP HH2 H 1 7.084 0.007 . 1 . . . A 29 TRP HH2 . 18842 1 334 . 1 1 29 29 TRP C C 13 173.939 0.000 . 1 . . . A 29 TRP C . 18842 1 335 . 1 1 29 29 TRP CA C 13 55.782 0.049 . 1 . . . A 29 TRP CA . 18842 1 336 . 1 1 29 29 TRP CB C 13 32.177 0.253 . 1 . . . A 29 TRP CB . 18842 1 337 . 1 1 29 29 TRP CD1 C 13 123.964 0.054 . 1 . . . A 29 TRP CD1 . 18842 1 338 . 1 1 29 29 TRP CE3 C 13 120.453 0.097 . 1 . . . A 29 TRP CE3 . 18842 1 339 . 1 1 29 29 TRP CZ3 C 13 121.469 0.047 . 1 . . . A 29 TRP CZ3 . 18842 1 340 . 1 1 29 29 TRP N N 15 128.950 0.029 . 1 . . . A 29 TRP N . 18842 1 341 . 1 1 29 29 TRP NE1 N 15 126.365 0.022 . 1 . . . A 29 TRP NE1 . 18842 1 342 . 1 1 30 30 ARG H H 1 7.613 0.003 . 1 . . . A 30 ARG H . 18842 1 343 . 1 1 30 30 ARG HA H 1 4.829 0.014 . 1 . . . A 30 ARG HA . 18842 1 344 . 1 1 30 30 ARG HB2 H 1 1.433 0.009 . 2 . . . A 30 ARG HB2 . 18842 1 345 . 1 1 30 30 ARG HB3 H 1 1.559 0.011 . 2 . . . A 30 ARG HB3 . 18842 1 346 . 1 1 30 30 ARG HG2 H 1 1.611 0.006 . 2 . . . A 30 ARG HG2 . 18842 1 347 . 1 1 30 30 ARG HG3 H 1 1.464 0.015 . 2 . . . A 30 ARG HG3 . 18842 1 348 . 1 1 30 30 ARG HD2 H 1 3.110 0.005 . 2 . . . A 30 ARG HD2 . 18842 1 349 . 1 1 30 30 ARG HD3 H 1 3.046 0.006 . 2 . . . A 30 ARG HD3 . 18842 1 350 . 1 1 30 30 ARG HE H 1 7.130 0.006 . 1 . . . A 30 ARG HE . 18842 1 351 . 1 1 30 30 ARG C C 13 174.751 0.000 . 1 . . . A 30 ARG C . 18842 1 352 . 1 1 30 30 ARG CA C 13 53.389 0.039 . 1 . . . A 30 ARG CA . 18842 1 353 . 1 1 30 30 ARG CB C 13 33.818 0.020 . 1 . . . A 30 ARG CB . 18842 1 354 . 1 1 30 30 ARG CG C 13 27.300 0.000 . 1 . . . A 30 ARG CG . 18842 1 355 . 1 1 30 30 ARG CD C 13 43.284 0.006 . 1 . . . A 30 ARG CD . 18842 1 356 . 1 1 30 30 ARG N N 15 126.402 0.024 . 1 . . . A 30 ARG N . 18842 1 357 . 1 1 30 30 ARG NE N 15 111.049 0.047 . 1 . . . A 30 ARG NE . 18842 1 358 . 1 1 31 31 SER H H 1 8.086 0.004 . 1 . . . A 31 SER H . 18842 1 359 . 1 1 31 31 SER HA H 1 4.138 0.008 . 1 . . . A 31 SER HA . 18842 1 360 . 1 1 31 31 SER HB2 H 1 4.482 0.007 . 2 . . . A 31 SER HB2 . 18842 1 361 . 1 1 31 31 SER HB3 H 1 4.005 0.006 . 2 . . . A 31 SER HB3 . 18842 1 362 . 1 1 31 31 SER C C 13 176.426 0.000 . 1 . . . A 31 SER C . 18842 1 363 . 1 1 31 31 SER CA C 13 58.013 0.019 . 1 . . . A 31 SER CA . 18842 1 364 . 1 1 31 31 SER CB C 13 64.081 0.044 . 1 . . . A 31 SER CB . 18842 1 365 . 1 1 31 31 SER N N 15 118.353 0.028 . 1 . . . A 31 SER N . 18842 1 366 . 1 1 32 32 THR H H 1 8.556 0.004 . 1 . . . A 32 THR H . 18842 1 367 . 1 1 32 32 THR HA H 1 3.856 0.006 . 1 . . . A 32 THR HA . 18842 1 368 . 1 1 32 32 THR HB H 1 4.127 0.003 . 1 . . . A 32 THR HB . 18842 1 369 . 1 1 32 32 THR HG21 H 1 1.226 0.008 . 1 . . . A 32 THR HG21 . 18842 1 370 . 1 1 32 32 THR HG22 H 1 1.226 0.008 . 1 . . . A 32 THR HG22 . 18842 1 371 . 1 1 32 32 THR HG23 H 1 1.226 0.008 . 1 . . . A 32 THR HG23 . 18842 1 372 . 1 1 32 32 THR C C 13 175.664 0.000 . 1 . . . A 32 THR C . 18842 1 373 . 1 1 32 32 THR CA C 13 66.142 0.074 . 1 . . . A 32 THR CA . 18842 1 374 . 1 1 32 32 THR CB C 13 68.446 0.003 . 1 . . . A 32 THR CB . 18842 1 375 . 1 1 32 32 THR CG2 C 13 22.241 0.023 . 1 . . . A 32 THR CG2 . 18842 1 376 . 1 1 32 32 THR N N 15 119.213 0.034 . 1 . . . A 32 THR N . 18842 1 377 . 1 1 33 33 ASP H H 1 8.236 0.007 . 1 . . . A 33 ASP H . 18842 1 378 . 1 1 33 33 ASP HA H 1 4.627 0.010 . 1 . . . A 33 ASP HA . 18842 1 379 . 1 1 33 33 ASP HB2 H 1 2.706 0.008 . 2 . . . A 33 ASP HB2 . 18842 1 380 . 1 1 33 33 ASP HB3 H 1 2.777 0.018 . 2 . . . A 33 ASP HB3 . 18842 1 381 . 1 1 33 33 ASP C C 13 177.098 0.000 . 1 . . . A 33 ASP C . 18842 1 382 . 1 1 33 33 ASP CA C 13 54.367 0.066 . 1 . . . A 33 ASP CA . 18842 1 383 . 1 1 33 33 ASP N N 15 117.260 0.050 . 1 . . . A 33 ASP N . 18842 1 384 . 1 1 34 34 GLY H H 1 7.935 0.003 . 1 . . . A 34 GLY H . 18842 1 385 . 1 1 34 34 GLY HA2 H 1 4.133 0.006 . 2 . . . A 34 GLY HA2 . 18842 1 386 . 1 1 34 34 GLY HA3 H 1 3.538 0.009 . 2 . . . A 34 GLY HA3 . 18842 1 387 . 1 1 34 34 GLY C C 13 173.778 0.000 . 1 . . . A 34 GLY C . 18842 1 388 . 1 1 34 34 GLY CA C 13 45.399 0.024 . 1 . . . A 34 GLY CA . 18842 1 389 . 1 1 34 34 GLY N N 15 109.136 0.033 . 1 . . . A 34 GLY N . 18842 1 390 . 1 1 35 35 ASP H H 1 8.271 0.005 . 1 . . . A 35 ASP H . 18842 1 391 . 1 1 35 35 ASP HA H 1 4.530 0.008 . 1 . . . A 35 ASP HA . 18842 1 392 . 1 1 35 35 ASP HB2 H 1 2.659 0.005 . 2 . . . A 35 ASP HB2 . 18842 1 393 . 1 1 35 35 ASP HB3 H 1 2.751 0.007 . 2 . . . A 35 ASP HB3 . 18842 1 394 . 1 1 35 35 ASP C C 13 175.403 0.000 . 1 . . . A 35 ASP C . 18842 1 395 . 1 1 35 35 ASP CA C 13 54.811 0.000 . 1 . . . A 35 ASP CA . 18842 1 396 . 1 1 35 35 ASP CB C 13 41.042 0.000 . 1 . . . A 35 ASP CB . 18842 1 397 . 1 1 35 35 ASP N N 15 117.913 0.036 . 1 . . . A 35 ASP N . 18842 1 398 . 1 1 36 36 LYS H H 1 7.769 0.003 . 1 . . . A 36 LYS H . 18842 1 399 . 1 1 36 36 LYS HA H 1 4.907 0.008 . 1 . . . A 36 LYS HA . 18842 1 400 . 1 1 36 36 LYS HB2 H 1 2.170 0.004 . 2 . . . A 36 LYS HB2 . 18842 1 401 . 1 1 36 36 LYS HB3 H 1 1.933 0.010 . 2 . . . A 36 LYS HB3 . 18842 1 402 . 1 1 36 36 LYS HG2 H 1 1.754 0.017 . 2 . . . A 36 LYS HG2 . 18842 1 403 . 1 1 36 36 LYS HG3 H 1 1.629 0.006 . 2 . . . A 36 LYS HG3 . 18842 1 404 . 1 1 36 36 LYS HD3 H 1 1.994 0.004 . 1 . . . A 36 LYS HD3 . 18842 1 405 . 1 1 36 36 LYS HE3 H 1 3.185 0.007 . 1 . . . A 36 LYS HE3 . 18842 1 406 . 1 1 36 36 LYS C C 13 174.651 0.000 . 1 . . . A 36 LYS C . 18842 1 407 . 1 1 36 36 LYS CA C 13 55.407 0.053 . 1 . . . A 36 LYS CA . 18842 1 408 . 1 1 36 36 LYS CB C 13 35.834 0.049 . 1 . . . A 36 LYS CB . 18842 1 409 . 1 1 36 36 LYS CG C 13 25.512 0.010 . 1 . . . A 36 LYS CG . 18842 1 410 . 1 1 36 36 LYS CD C 13 29.640 0.006 . 1 . . . A 36 LYS CD . 18842 1 411 . 1 1 36 36 LYS CE C 13 42.208 0.008 . 1 . . . A 36 LYS CE . 18842 1 412 . 1 1 36 36 LYS N N 15 120.335 0.047 . 1 . . . A 36 LYS N . 18842 1 413 . 1 1 37 37 VAL H H 1 8.582 0.006 . 1 . . . A 37 VAL H . 18842 1 414 . 1 1 37 37 VAL HA H 1 5.315 0.007 . 1 . . . A 37 VAL HA . 18842 1 415 . 1 1 37 37 VAL HB H 1 2.043 0.008 . 1 . . . A 37 VAL HB . 18842 1 416 . 1 1 37 37 VAL HG21 H 1 0.930 0.007 . 1 . . . A 37 VAL HG21 . 18842 1 417 . 1 1 37 37 VAL HG22 H 1 0.930 0.007 . 1 . . . A 37 VAL HG22 . 18842 1 418 . 1 1 37 37 VAL HG23 H 1 0.930 0.007 . 1 . . . A 37 VAL HG23 . 18842 1 419 . 1 1 37 37 VAL C C 13 175.069 0.000 . 1 . . . A 37 VAL C . 18842 1 420 . 1 1 37 37 VAL CA C 13 60.098 0.063 . 1 . . . A 37 VAL CA . 18842 1 421 . 1 1 37 37 VAL CB C 13 36.058 0.012 . 1 . . . A 37 VAL CB . 18842 1 422 . 1 1 37 37 VAL CG2 C 13 20.906 0.024 . 1 . . . A 37 VAL CG2 . 18842 1 423 . 1 1 37 37 VAL N N 15 121.484 0.069 . 1 . . . A 37 VAL N . 18842 1 424 . 1 1 38 38 HIS H H 1 9.621 0.004 . 1 . . . A 38 HIS H . 18842 1 425 . 1 1 38 38 HIS HA H 1 5.084 0.008 . 1 . . . A 38 HIS HA . 18842 1 426 . 1 1 38 38 HIS HB2 H 1 2.830 0.015 . 2 . . . A 38 HIS HB2 . 18842 1 427 . 1 1 38 38 HIS HB3 H 1 2.768 0.025 . 2 . . . A 38 HIS HB3 . 18842 1 428 . 1 1 38 38 HIS HD2 H 1 6.017 0.004 . 1 . . . A 38 HIS HD2 . 18842 1 429 . 1 1 38 38 HIS C C 13 173.268 0.000 . 1 . . . A 38 HIS C . 18842 1 430 . 1 1 38 38 HIS CA C 13 56.068 0.024 . 1 . . . A 38 HIS CA . 18842 1 431 . 1 1 38 38 HIS CB C 13 34.088 0.000 . 1 . . . A 38 HIS CB . 18842 1 432 . 1 1 38 38 HIS CD2 C 13 116.586 0.060 . 1 . . . A 38 HIS CD2 . 18842 1 433 . 1 1 38 38 HIS N N 15 125.660 0.116 . 1 . . . A 38 HIS N . 18842 1 434 . 1 1 39 39 THR H H 1 8.527 0.010 . 1 . . . A 39 THR H . 18842 1 435 . 1 1 39 39 THR HA H 1 5.139 0.006 . 1 . . . A 39 THR HA . 18842 1 436 . 1 1 39 39 THR HB H 1 3.749 0.006 . 1 . . . A 39 THR HB . 18842 1 437 . 1 1 39 39 THR HG21 H 1 0.984 0.008 . 1 . . . A 39 THR HG21 . 18842 1 438 . 1 1 39 39 THR HG22 H 1 0.984 0.008 . 1 . . . A 39 THR HG22 . 18842 1 439 . 1 1 39 39 THR HG23 H 1 0.984 0.008 . 1 . . . A 39 THR HG23 . 18842 1 440 . 1 1 39 39 THR C C 13 173.208 0.000 . 1 . . . A 39 THR C . 18842 1 441 . 1 1 39 39 THR CA C 13 61.518 0.084 . 1 . . . A 39 THR CA . 18842 1 442 . 1 1 39 39 THR CB C 13 70.665 0.018 . 1 . . . A 39 THR CB . 18842 1 443 . 1 1 39 39 THR CG2 C 13 21.509 0.002 . 1 . . . A 39 THR CG2 . 18842 1 444 . 1 1 39 39 THR N N 15 124.752 0.100 . 1 . . . A 39 THR N . 18842 1 445 . 1 1 40 40 VAL H H 1 9.388 0.006 . 1 . . . A 40 VAL H . 18842 1 446 . 1 1 40 40 VAL HA H 1 3.924 0.003 . 1 . . . A 40 VAL HA . 18842 1 447 . 1 1 40 40 VAL HB H 1 1.788 0.007 . 1 . . . A 40 VAL HB . 18842 1 448 . 1 1 40 40 VAL HG11 H 1 0.277 0.006 . 2 . . . A 40 VAL HG11 . 18842 1 449 . 1 1 40 40 VAL HG12 H 1 0.277 0.006 . 2 . . . A 40 VAL HG12 . 18842 1 450 . 1 1 40 40 VAL HG13 H 1 0.277 0.006 . 2 . . . A 40 VAL HG13 . 18842 1 451 . 1 1 40 40 VAL HG21 H 1 0.375 0.006 . 2 . . . A 40 VAL HG21 . 18842 1 452 . 1 1 40 40 VAL HG22 H 1 0.375 0.006 . 2 . . . A 40 VAL HG22 . 18842 1 453 . 1 1 40 40 VAL HG23 H 1 0.375 0.006 . 2 . . . A 40 VAL HG23 . 18842 1 454 . 1 1 40 40 VAL C C 13 174.731 0.000 . 1 . . . A 40 VAL C . 18842 1 455 . 1 1 40 40 VAL CA C 13 60.350 0.016 . 1 . . . A 40 VAL CA . 18842 1 456 . 1 1 40 40 VAL CB C 13 34.365 0.049 . 1 . . . A 40 VAL CB . 18842 1 457 . 1 1 40 40 VAL CG1 C 13 19.830 0.058 . 2 . . . A 40 VAL CG1 . 18842 1 458 . 1 1 40 40 VAL CG2 C 13 21.276 0.026 . 2 . . . A 40 VAL CG2 . 18842 1 459 . 1 1 40 40 VAL N N 15 126.002 0.039 . 1 . . . A 40 VAL N . 18842 1 460 . 1 1 41 41 VAL H H 1 9.054 0.003 . 1 . . . A 41 VAL H . 18842 1 461 . 1 1 41 41 VAL HA H 1 3.984 0.008 . 1 . . . A 41 VAL HA . 18842 1 462 . 1 1 41 41 VAL HB H 1 2.021 0.012 . 1 . . . A 41 VAL HB . 18842 1 463 . 1 1 41 41 VAL HG11 H 1 1.013 0.009 . 2 . . . A 41 VAL HG11 . 18842 1 464 . 1 1 41 41 VAL HG12 H 1 1.013 0.009 . 2 . . . A 41 VAL HG12 . 18842 1 465 . 1 1 41 41 VAL HG13 H 1 1.013 0.009 . 2 . . . A 41 VAL HG13 . 18842 1 466 . 1 1 41 41 VAL HG21 H 1 0.947 0.003 . 2 . . . A 41 VAL HG21 . 18842 1 467 . 1 1 41 41 VAL HG22 H 1 0.947 0.003 . 2 . . . A 41 VAL HG22 . 18842 1 468 . 1 1 41 41 VAL HG23 H 1 0.947 0.003 . 2 . . . A 41 VAL HG23 . 18842 1 469 . 1 1 41 41 VAL C C 13 179.410 0.000 . 1 . . . A 41 VAL C . 18842 1 470 . 1 1 41 41 VAL CA C 13 63.616 0.049 . 1 . . . A 41 VAL CA . 18842 1 471 . 1 1 41 41 VAL CB C 13 30.988 0.041 . 1 . . . A 41 VAL CB . 18842 1 472 . 1 1 41 41 VAL CG1 C 13 22.017 0.018 . 2 . . . A 41 VAL CG1 . 18842 1 473 . 1 1 41 41 VAL CG2 C 13 21.035 0.000 . 2 . . . A 41 VAL CG2 . 18842 1 474 . 1 1 41 41 VAL N N 15 129.872 0.064 . 1 . . . A 41 VAL N . 18842 1 475 . 1 1 42 42 LEU H H 1 9.193 0.005 . 1 . . . A 42 LEU H . 18842 1 476 . 1 1 42 42 LEU HA H 1 3.954 0.009 . 1 . . . A 42 LEU HA . 18842 1 477 . 1 1 42 42 LEU HB2 H 1 1.463 0.009 . 2 . . . A 42 LEU HB2 . 18842 1 478 . 1 1 42 42 LEU HB3 H 1 1.800 0.008 . 2 . . . A 42 LEU HB3 . 18842 1 479 . 1 1 42 42 LEU HG H 1 1.699 0.008 . 1 . . . A 42 LEU HG . 18842 1 480 . 1 1 42 42 LEU HD11 H 1 0.699 0.009 . 2 . . . A 42 LEU HD11 . 18842 1 481 . 1 1 42 42 LEU HD12 H 1 0.699 0.009 . 2 . . . A 42 LEU HD12 . 18842 1 482 . 1 1 42 42 LEU HD13 H 1 0.699 0.009 . 2 . . . A 42 LEU HD13 . 18842 1 483 . 1 1 42 42 LEU HD21 H 1 0.759 0.008 . 2 . . . A 42 LEU HD21 . 18842 1 484 . 1 1 42 42 LEU HD22 H 1 0.759 0.008 . 2 . . . A 42 LEU HD22 . 18842 1 485 . 1 1 42 42 LEU HD23 H 1 0.759 0.008 . 2 . . . A 42 LEU HD23 . 18842 1 486 . 1 1 42 42 LEU C C 13 176.121 0.000 . 1 . . . A 42 LEU C . 18842 1 487 . 1 1 42 42 LEU CA C 13 58.622 0.024 . 1 . . . A 42 LEU CA . 18842 1 488 . 1 1 42 42 LEU CB C 13 40.823 0.011 . 1 . . . A 42 LEU CB . 18842 1 489 . 1 1 42 42 LEU CG C 13 27.409 0.000 . 1 . . . A 42 LEU CG . 18842 1 490 . 1 1 42 42 LEU CD1 C 13 22.995 0.073 . 2 . . . A 42 LEU CD1 . 18842 1 491 . 1 1 42 42 LEU CD2 C 13 26.451 0.045 . 2 . . . A 42 LEU CD2 . 18842 1 492 . 1 1 42 42 LEU N N 15 130.076 0.028 . 1 . . . A 42 LEU N . 18842 1 493 . 1 1 43 43 SER H H 1 6.961 0.004 . 1 . . . A 43 SER H . 18842 1 494 . 1 1 43 43 SER HA H 1 3.944 0.006 . 1 . . . A 43 SER HA . 18842 1 495 . 1 1 43 43 SER HB3 H 1 3.792 0.004 . 1 . . . A 43 SER HB3 . 18842 1 496 . 1 1 43 43 SER C C 13 175.455 0.000 . 1 . . . A 43 SER C . 18842 1 497 . 1 1 43 43 SER CA C 13 59.442 0.032 . 1 . . . A 43 SER CA . 18842 1 498 . 1 1 43 43 SER CB C 13 61.299 0.023 . 1 . . . A 43 SER CB . 18842 1 499 . 1 1 43 43 SER N N 15 109.703 0.017 . 1 . . . A 43 SER N . 18842 1 500 . 1 1 44 44 THR H H 1 7.657 0.004 . 1 . . . A 44 THR H . 18842 1 501 . 1 1 44 44 THR HA H 1 4.519 0.011 . 1 . . . A 44 THR HA . 18842 1 502 . 1 1 44 44 THR HB H 1 4.670 0.006 . 1 . . . A 44 THR HB . 18842 1 503 . 1 1 44 44 THR HG21 H 1 1.218 0.006 . 1 . . . A 44 THR HG21 . 18842 1 504 . 1 1 44 44 THR HG22 H 1 1.218 0.006 . 1 . . . A 44 THR HG22 . 18842 1 505 . 1 1 44 44 THR HG23 H 1 1.218 0.006 . 1 . . . A 44 THR HG23 . 18842 1 506 . 1 1 44 44 THR C C 13 173.493 0.000 . 1 . . . A 44 THR C . 18842 1 507 . 1 1 44 44 THR CA C 13 62.076 0.019 . 1 . . . A 44 THR CA . 18842 1 508 . 1 1 44 44 THR CB C 13 69.788 0.031 . 1 . . . A 44 THR CB . 18842 1 509 . 1 1 44 44 THR CG2 C 13 21.059 0.032 . 1 . . . A 44 THR CG2 . 18842 1 510 . 1 1 44 44 THR N N 15 110.409 0.044 . 1 . . . A 44 THR N . 18842 1 511 . 1 1 45 45 ILE H H 1 7.089 0.004 . 1 . . . A 45 ILE H . 18842 1 512 . 1 1 45 45 ILE HA H 1 4.325 0.017 . 1 . . . A 45 ILE HA . 18842 1 513 . 1 1 45 45 ILE HB H 1 2.323 0.009 . 1 . . . A 45 ILE HB . 18842 1 514 . 1 1 45 45 ILE HG12 H 1 1.717 0.009 . 2 . . . A 45 ILE HG12 . 18842 1 515 . 1 1 45 45 ILE HG13 H 1 1.095 0.017 . 2 . . . A 45 ILE HG13 . 18842 1 516 . 1 1 45 45 ILE HG21 H 1 0.902 0.008 . 1 . . . A 45 ILE HG21 . 18842 1 517 . 1 1 45 45 ILE HG22 H 1 0.902 0.008 . 1 . . . A 45 ILE HG22 . 18842 1 518 . 1 1 45 45 ILE HG23 H 1 0.902 0.008 . 1 . . . A 45 ILE HG23 . 18842 1 519 . 1 1 45 45 ILE HD11 H 1 0.600 0.009 . 1 . . . A 45 ILE HD11 . 18842 1 520 . 1 1 45 45 ILE HD12 H 1 0.600 0.009 . 1 . . . A 45 ILE HD12 . 18842 1 521 . 1 1 45 45 ILE HD13 H 1 0.600 0.009 . 1 . . . A 45 ILE HD13 . 18842 1 522 . 1 1 45 45 ILE C C 13 173.882 0.000 . 1 . . . A 45 ILE C . 18842 1 523 . 1 1 45 45 ILE CA C 13 58.040 0.000 . 1 . . . A 45 ILE CA . 18842 1 524 . 1 1 45 45 ILE CB C 13 36.500 0.000 . 1 . . . A 45 ILE CB . 18842 1 525 . 1 1 45 45 ILE CG1 C 13 27.189 0.127 . 1 . . . A 45 ILE CG1 . 18842 1 526 . 1 1 45 45 ILE CG2 C 13 18.960 0.035 . 1 . . . A 45 ILE CG2 . 18842 1 527 . 1 1 45 45 ILE CD1 C 13 8.980 0.013 . 1 . . . A 45 ILE CD1 . 18842 1 528 . 1 1 45 45 ILE N N 15 120.972 0.017 . 1 . . . A 45 ILE N . 18842 1 529 . 1 1 46 46 ASP H H 1 9.372 0.004 . 1 . . . A 46 ASP H . 18842 1 530 . 1 1 46 46 ASP HA H 1 4.662 0.006 . 1 . . . A 46 ASP HA . 18842 1 531 . 1 1 46 46 ASP HB2 H 1 2.418 0.007 . 2 . . . A 46 ASP HB2 . 18842 1 532 . 1 1 46 46 ASP HB3 H 1 2.501 0.024 . 2 . . . A 46 ASP HB3 . 18842 1 533 . 1 1 46 46 ASP C C 13 175.424 0.000 . 1 . . . A 46 ASP C . 18842 1 534 . 1 1 46 46 ASP CA C 13 55.017 0.057 . 1 . . . A 46 ASP CA . 18842 1 535 . 1 1 46 46 ASP CB C 13 44.583 0.022 . 1 . . . A 46 ASP CB . 18842 1 536 . 1 1 46 46 ASP N N 15 126.759 0.046 . 1 . . . A 46 ASP N . 18842 1 537 . 1 1 47 47 LYS H H 1 7.522 0.001 . 1 . . . A 47 LYS H . 18842 1 538 . 1 1 47 47 LYS HA H 1 4.753 0.008 . 1 . . . A 47 LYS HA . 18842 1 539 . 1 1 47 47 LYS HB2 H 1 1.833 0.007 . 2 . . . A 47 LYS HB2 . 18842 1 540 . 1 1 47 47 LYS HB3 H 1 1.682 0.008 . 2 . . . A 47 LYS HB3 . 18842 1 541 . 1 1 47 47 LYS HG2 H 1 1.324 0.006 . 2 . . . A 47 LYS HG2 . 18842 1 542 . 1 1 47 47 LYS HG3 H 1 1.179 0.005 . 2 . . . A 47 LYS HG3 . 18842 1 543 . 1 1 47 47 LYS HE3 H 1 2.886 0.037 . 1 . . . A 47 LYS HE3 . 18842 1 544 . 1 1 47 47 LYS C C 13 172.574 0.000 . 1 . . . A 47 LYS C . 18842 1 545 . 1 1 47 47 LYS CA C 13 54.615 0.042 . 1 . . . A 47 LYS CA . 18842 1 546 . 1 1 47 47 LYS CB C 13 36.196 0.026 . 1 . . . A 47 LYS CB . 18842 1 547 . 1 1 47 47 LYS CG C 13 24.024 0.071 . 1 . . . A 47 LYS CG . 18842 1 548 . 1 1 47 47 LYS CE C 13 41.891 0.000 . 1 . . . A 47 LYS CE . 18842 1 549 . 1 1 47 47 LYS N N 15 111.663 0.022 . 1 . . . A 47 LYS N . 18842 1 550 . 1 1 48 48 LEU H H 1 8.938 0.013 . 1 . . . A 48 LEU H . 18842 1 551 . 1 1 48 48 LEU HA H 1 5.143 0.010 . 1 . . . A 48 LEU HA . 18842 1 552 . 1 1 48 48 LEU HB2 H 1 1.298 0.008 . 2 . . . A 48 LEU HB2 . 18842 1 553 . 1 1 48 48 LEU HB3 H 1 1.830 0.009 . 2 . . . A 48 LEU HB3 . 18842 1 554 . 1 1 48 48 LEU HG H 1 1.579 0.013 . 1 . . . A 48 LEU HG . 18842 1 555 . 1 1 48 48 LEU HD11 H 1 1.047 0.013 . 2 . . . A 48 LEU HD11 . 18842 1 556 . 1 1 48 48 LEU HD12 H 1 1.047 0.013 . 2 . . . A 48 LEU HD12 . 18842 1 557 . 1 1 48 48 LEU HD13 H 1 1.047 0.013 . 2 . . . A 48 LEU HD13 . 18842 1 558 . 1 1 48 48 LEU HD21 H 1 0.974 0.026 . 2 . . . A 48 LEU HD21 . 18842 1 559 . 1 1 48 48 LEU HD22 H 1 0.974 0.026 . 2 . . . A 48 LEU HD22 . 18842 1 560 . 1 1 48 48 LEU HD23 H 1 0.974 0.026 . 2 . . . A 48 LEU HD23 . 18842 1 561 . 1 1 48 48 LEU C C 13 174.770 0.000 . 1 . . . A 48 LEU C . 18842 1 562 . 1 1 48 48 LEU CA C 13 52.936 0.034 . 1 . . . A 48 LEU CA . 18842 1 563 . 1 1 48 48 LEU CB C 13 45.580 0.050 . 1 . . . A 48 LEU CB . 18842 1 564 . 1 1 48 48 LEU CG C 13 27.494 0.054 . 1 . . . A 48 LEU CG . 18842 1 565 . 1 1 48 48 LEU CD1 C 13 25.481 0.044 . 2 . . . A 48 LEU CD1 . 18842 1 566 . 1 1 48 48 LEU CD2 C 13 27.747 0.069 . 2 . . . A 48 LEU CD2 . 18842 1 567 . 1 1 48 48 LEU N N 15 123.295 0.027 . 1 . . . A 48 LEU N . 18842 1 568 . 1 1 49 49 GLN H H 1 9.246 0.003 . 1 . . . A 49 GLN H . 18842 1 569 . 1 1 49 49 GLN HA H 1 5.512 0.018 . 1 . . . A 49 GLN HA . 18842 1 570 . 1 1 49 49 GLN HB3 H 1 1.975 0.014 . 1 . . . A 49 GLN HB3 . 18842 1 571 . 1 1 49 49 GLN HG3 H 1 2.445 0.013 . 1 . . . A 49 GLN HG3 . 18842 1 572 . 1 1 49 49 GLN HE21 H 1 6.912 0.003 . 1 . . . A 49 GLN HE21 . 18842 1 573 . 1 1 49 49 GLN HE22 H 1 7.815 0.005 . 1 . . . A 49 GLN HE22 . 18842 1 574 . 1 1 49 49 GLN C C 13 174.626 0.000 . 1 . . . A 49 GLN C . 18842 1 575 . 1 1 49 49 GLN CA C 13 53.631 0.042 . 1 . . . A 49 GLN CA . 18842 1 576 . 1 1 49 49 GLN CB C 13 34.089 0.154 . 1 . . . A 49 GLN CB . 18842 1 577 . 1 1 49 49 GLN CG C 13 33.705 0.155 . 1 . . . A 49 GLN CG . 18842 1 578 . 1 1 49 49 GLN CD C 13 179.022 0.025 . 1 . . . A 49 GLN CD . 18842 1 579 . 1 1 49 49 GLN N N 15 120.979 0.019 . 1 . . . A 49 GLN N . 18842 1 580 . 1 1 49 49 GLN NE2 N 15 112.153 0.157 . 1 . . . A 49 GLN NE2 . 18842 1 581 . 1 1 50 50 ALA H H 1 9.365 0.005 . 1 . . . A 50 ALA H . 18842 1 582 . 1 1 50 50 ALA HA H 1 5.808 0.010 . 1 . . . A 50 ALA HA . 18842 1 583 . 1 1 50 50 ALA HB1 H 1 1.409 0.006 . 1 . . . A 50 ALA HB1 . 18842 1 584 . 1 1 50 50 ALA HB2 H 1 1.409 0.006 . 1 . . . A 50 ALA HB2 . 18842 1 585 . 1 1 50 50 ALA HB3 H 1 1.409 0.006 . 1 . . . A 50 ALA HB3 . 18842 1 586 . 1 1 50 50 ALA C C 13 177.277 0.000 . 1 . . . A 50 ALA C . 18842 1 587 . 1 1 50 50 ALA CA C 13 50.621 0.053 . 1 . . . A 50 ALA CA . 18842 1 588 . 1 1 50 50 ALA CB C 13 24.523 0.090 . 1 . . . A 50 ALA CB . 18842 1 589 . 1 1 50 50 ALA N N 15 122.440 0.030 . 1 . . . A 50 ALA N . 18842 1 590 . 1 1 51 51 THR H H 1 8.368 0.005 . 1 . . . A 51 THR H . 18842 1 591 . 1 1 51 51 THR HA H 1 4.615 0.007 . 1 . . . A 51 THR HA . 18842 1 592 . 1 1 51 51 THR HB H 1 4.227 0.007 . 1 . . . A 51 THR HB . 18842 1 593 . 1 1 51 51 THR HG21 H 1 0.800 0.005 . 1 . . . A 51 THR HG21 . 18842 1 594 . 1 1 51 51 THR HG22 H 1 0.800 0.005 . 1 . . . A 51 THR HG22 . 18842 1 595 . 1 1 51 51 THR HG23 H 1 0.800 0.005 . 1 . . . A 51 THR HG23 . 18842 1 596 . 1 1 51 51 THR CA C 13 59.197 0.023 . 1 . . . A 51 THR CA . 18842 1 597 . 1 1 51 51 THR CB C 13 67.937 0.025 . 1 . . . A 51 THR CB . 18842 1 598 . 1 1 51 51 THR CG2 C 13 23.710 0.124 . 1 . . . A 51 THR CG2 . 18842 1 599 . 1 1 51 51 THR N N 15 114.289 0.043 . 1 . . . A 51 THR N . 18842 1 600 . 1 1 52 52 PRO HA H 1 4.531 0.010 . 1 . . . A 52 PRO HA . 18842 1 601 . 1 1 52 52 PRO HB2 H 1 2.368 0.008 . 2 . . . A 52 PRO HB2 . 18842 1 602 . 1 1 52 52 PRO HB3 H 1 1.968 0.009 . 2 . . . A 52 PRO HB3 . 18842 1 603 . 1 1 52 52 PRO HG3 H 1 1.954 0.006 . 1 . . . A 52 PRO HG3 . 18842 1 604 . 1 1 52 52 PRO HD2 H 1 3.780 0.008 . 2 . . . A 52 PRO HD2 . 18842 1 605 . 1 1 52 52 PRO HD3 H 1 3.614 0.000 . 2 . . . A 52 PRO HD3 . 18842 1 606 . 1 1 52 52 PRO C C 13 178.380 0.000 . 1 . . . A 52 PRO C . 18842 1 607 . 1 1 52 52 PRO CA C 13 62.375 0.050 . 1 . . . A 52 PRO CA . 18842 1 608 . 1 1 52 52 PRO CB C 13 32.640 0.000 . 1 . . . A 52 PRO CB . 18842 1 609 . 1 1 52 52 PRO CG C 13 27.719 0.066 . 1 . . . A 52 PRO CG . 18842 1 610 . 1 1 52 52 PRO CD C 13 50.467 0.011 . 1 . . . A 52 PRO CD . 18842 1 611 . 1 1 53 53 ALA H H 1 9.122 0.001 . 1 . . . A 53 ALA H . 18842 1 612 . 1 1 53 53 ALA HA H 1 4.030 0.006 . 1 . . . A 53 ALA HA . 18842 1 613 . 1 1 53 53 ALA HB1 H 1 1.443 0.006 . 1 . . . A 53 ALA HB1 . 18842 1 614 . 1 1 53 53 ALA HB2 H 1 1.443 0.006 . 1 . . . A 53 ALA HB2 . 18842 1 615 . 1 1 53 53 ALA HB3 H 1 1.443 0.006 . 1 . . . A 53 ALA HB3 . 18842 1 616 . 1 1 53 53 ALA C C 13 177.700 0.000 . 1 . . . A 53 ALA C . 18842 1 617 . 1 1 53 53 ALA CA C 13 54.795 0.000 . 1 . . . A 53 ALA CA . 18842 1 618 . 1 1 53 53 ALA CB C 13 18.019 0.007 . 1 . . . A 53 ALA CB . 18842 1 619 . 1 1 53 53 ALA N N 15 126.235 0.009 . 1 . . . A 53 ALA N . 18842 1 620 . 1 1 54 54 SER H H 1 7.620 0.004 . 1 . . . A 54 SER H . 18842 1 621 . 1 1 54 54 SER HA H 1 4.238 0.003 . 1 . . . A 54 SER HA . 18842 1 622 . 1 1 54 54 SER HB2 H 1 3.795 0.004 . 2 . . . A 54 SER HB2 . 18842 1 623 . 1 1 54 54 SER HB3 H 1 4.040 0.000 . 2 . . . A 54 SER HB3 . 18842 1 624 . 1 1 54 54 SER C C 13 174.957 0.000 . 1 . . . A 54 SER C . 18842 1 625 . 1 1 54 54 SER CA C 13 58.260 0.000 . 1 . . . A 54 SER CA . 18842 1 626 . 1 1 54 54 SER CB C 13 63.120 0.000 . 1 . . . A 54 SER CB . 18842 1 627 . 1 1 54 54 SER N N 15 107.216 0.008 . 1 . . . A 54 SER N . 18842 1 628 . 1 1 55 55 SER H H 1 7.676 0.001 . 1 . . . A 55 SER H . 18842 1 629 . 1 1 55 55 SER HA H 1 4.469 0.007 . 1 . . . A 55 SER HA . 18842 1 630 . 1 1 55 55 SER HB2 H 1 3.975 0.007 . 2 . . . A 55 SER HB2 . 18842 1 631 . 1 1 55 55 SER HB3 H 1 3.882 0.003 . 2 . . . A 55 SER HB3 . 18842 1 632 . 1 1 55 55 SER C C 13 174.952 0.000 . 1 . . . A 55 SER C . 18842 1 633 . 1 1 55 55 SER CA C 13 57.500 0.016 . 1 . . . A 55 SER CA . 18842 1 634 . 1 1 55 55 SER CB C 13 63.801 0.046 . 1 . . . A 55 SER CB . 18842 1 635 . 1 1 55 55 SER N N 15 117.523 0.015 . 1 . . . A 55 SER N . 18842 1 636 . 1 1 56 56 GLU H H 1 8.844 0.002 . 1 . . . A 56 GLU H . 18842 1 637 . 1 1 56 56 GLU HA H 1 4.179 0.003 . 1 . . . A 56 GLU HA . 18842 1 638 . 1 1 56 56 GLU HB2 H 1 2.132 0.009 . 2 . . . A 56 GLU HB2 . 18842 1 639 . 1 1 56 56 GLU HB3 H 1 2.008 0.005 . 2 . . . A 56 GLU HB3 . 18842 1 640 . 1 1 56 56 GLU HG2 H 1 2.286 0.008 . 2 . . . A 56 GLU HG2 . 18842 1 641 . 1 1 56 56 GLU HG3 H 1 2.376 0.007 . 2 . . . A 56 GLU HG3 . 18842 1 642 . 1 1 56 56 GLU C C 13 177.924 0.000 . 1 . . . A 56 GLU C . 18842 1 643 . 1 1 56 56 GLU CA C 13 57.661 0.004 . 1 . . . A 56 GLU CA . 18842 1 644 . 1 1 56 56 GLU CB C 13 29.829 0.010 . 1 . . . A 56 GLU CB . 18842 1 645 . 1 1 56 56 GLU CG C 13 36.535 0.070 . 1 . . . A 56 GLU CG . 18842 1 646 . 1 1 56 56 GLU N N 15 124.557 0.015 . 1 . . . A 56 GLU N . 18842 1 647 . 1 1 57 57 LYS H H 1 8.259 0.005 . 1 . . . A 57 LYS H . 18842 1 648 . 1 1 57 57 LYS HA H 1 4.296 0.012 . 1 . . . A 57 LYS HA . 18842 1 649 . 1 1 57 57 LYS HB2 H 1 1.663 0.001 . 2 . . . A 57 LYS HB2 . 18842 1 650 . 1 1 57 57 LYS HB3 H 1 1.730 0.003 . 2 . . . A 57 LYS HB3 . 18842 1 651 . 1 1 57 57 LYS HG2 H 1 1.478 0.003 . 2 . . . A 57 LYS HG2 . 18842 1 652 . 1 1 57 57 LYS HG3 H 1 1.375 0.009 . 2 . . . A 57 LYS HG3 . 18842 1 653 . 1 1 57 57 LYS HD2 H 1 1.576 0.004 . 2 . . . A 57 LYS HD2 . 18842 1 654 . 1 1 57 57 LYS HD3 H 1 1.653 0.003 . 2 . . . A 57 LYS HD3 . 18842 1 655 . 1 1 57 57 LYS HE2 H 1 2.889 0.004 . 2 . . . A 57 LYS HE2 . 18842 1 656 . 1 1 57 57 LYS HE3 H 1 2.930 0.000 . 2 . . . A 57 LYS HE3 . 18842 1 657 . 1 1 57 57 LYS C C 13 175.667 0.000 . 1 . . . A 57 LYS C . 18842 1 658 . 1 1 57 57 LYS CA C 13 55.855 0.018 . 1 . . . A 57 LYS CA . 18842 1 659 . 1 1 57 57 LYS CB C 13 33.855 0.000 . 1 . . . A 57 LYS CB . 18842 1 660 . 1 1 57 57 LYS CG C 13 25.273 0.047 . 1 . . . A 57 LYS CG . 18842 1 661 . 1 1 57 57 LYS CD C 13 29.175 0.000 . 1 . . . A 57 LYS CD . 18842 1 662 . 1 1 57 57 LYS CE C 13 41.132 0.057 . 1 . . . A 57 LYS CE . 18842 1 663 . 1 1 57 57 LYS N N 15 119.220 0.019 . 1 . . . A 57 LYS N . 18842 1 664 . 1 1 58 58 MET H H 1 8.811 0.001 . 1 . . . A 58 MET H . 18842 1 665 . 1 1 58 58 MET HA H 1 4.288 0.007 . 1 . . . A 58 MET HA . 18842 1 666 . 1 1 58 58 MET HB2 H 1 2.419 0.016 . 2 . . . A 58 MET HB2 . 18842 1 667 . 1 1 58 58 MET HB3 H 1 2.090 0.009 . 2 . . . A 58 MET HB3 . 18842 1 668 . 1 1 58 58 MET HG2 H 1 2.313 0.004 . 1 . . . A 58 MET HG2 . 18842 1 669 . 1 1 58 58 MET HE1 H 1 2.133 0.017 . 1 . . . A 58 MET HE1 . 18842 1 670 . 1 1 58 58 MET HE2 H 1 2.133 0.017 . 1 . . . A 58 MET HE2 . 18842 1 671 . 1 1 58 58 MET HE3 H 1 2.133 0.017 . 1 . . . A 58 MET HE3 . 18842 1 672 . 1 1 58 58 MET C C 13 174.107 0.000 . 1 . . . A 58 MET C . 18842 1 673 . 1 1 58 58 MET CA C 13 55.067 0.024 . 1 . . . A 58 MET CA . 18842 1 674 . 1 1 58 58 MET CB C 13 35.381 0.047 . 1 . . . A 58 MET CB . 18842 1 675 . 1 1 58 58 MET CE C 13 19.331 0.086 . 1 . . . A 58 MET CE . 18842 1 676 . 1 1 58 58 MET N N 15 123.270 0.010 . 1 . . . A 58 MET N . 18842 1 677 . 1 1 59 59 MET H H 1 8.395 0.004 . 1 . . . A 59 MET H . 18842 1 678 . 1 1 59 59 MET HA H 1 5.873 0.010 . 1 . . . A 59 MET HA . 18842 1 679 . 1 1 59 59 MET HB2 H 1 2.293 0.011 . 2 . . . A 59 MET HB2 . 18842 1 680 . 1 1 59 59 MET HB3 H 1 2.006 0.012 . 2 . . . A 59 MET HB3 . 18842 1 681 . 1 1 59 59 MET HG2 H 1 2.377 0.005 . 2 . . . A 59 MET HG2 . 18842 1 682 . 1 1 59 59 MET HG3 H 1 2.812 0.009 . 2 . . . A 59 MET HG3 . 18842 1 683 . 1 1 59 59 MET HE1 H 1 1.849 0.003 . 1 . . . A 59 MET HE1 . 18842 1 684 . 1 1 59 59 MET HE2 H 1 1.849 0.003 . 1 . . . A 59 MET HE2 . 18842 1 685 . 1 1 59 59 MET HE3 H 1 1.849 0.003 . 1 . . . A 59 MET HE3 . 18842 1 686 . 1 1 59 59 MET C C 13 174.459 0.000 . 1 . . . A 59 MET C . 18842 1 687 . 1 1 59 59 MET CA C 13 54.903 0.051 . 1 . . . A 59 MET CA . 18842 1 688 . 1 1 59 59 MET CB C 13 39.231 0.089 . 1 . . . A 59 MET CB . 18842 1 689 . 1 1 59 59 MET CG C 13 32.485 0.087 . 1 . . . A 59 MET CG . 18842 1 690 . 1 1 59 59 MET CE C 13 17.786 0.098 . 1 . . . A 59 MET CE . 18842 1 691 . 1 1 59 59 MET N N 15 120.490 0.070 . 1 . . . A 59 MET N . 18842 1 692 . 1 1 60 60 LEU H H 1 9.103 0.002 . 1 . . . A 60 LEU H . 18842 1 693 . 1 1 60 60 LEU HA H 1 5.664 0.014 . 1 . . . A 60 LEU HA . 18842 1 694 . 1 1 60 60 LEU HB2 H 1 1.738 0.010 . 2 . . . A 60 LEU HB2 . 18842 1 695 . 1 1 60 60 LEU HB3 H 1 1.881 0.006 . 2 . . . A 60 LEU HB3 . 18842 1 696 . 1 1 60 60 LEU HG H 1 1.915 0.008 . 1 . . . A 60 LEU HG . 18842 1 697 . 1 1 60 60 LEU HD11 H 1 0.919 0.008 . 2 . . . A 60 LEU HD11 . 18842 1 698 . 1 1 60 60 LEU HD12 H 1 0.919 0.008 . 2 . . . A 60 LEU HD12 . 18842 1 699 . 1 1 60 60 LEU HD13 H 1 0.919 0.008 . 2 . . . A 60 LEU HD13 . 18842 1 700 . 1 1 60 60 LEU HD21 H 1 1.085 0.009 . 2 . . . A 60 LEU HD21 . 18842 1 701 . 1 1 60 60 LEU HD22 H 1 1.085 0.009 . 2 . . . A 60 LEU HD22 . 18842 1 702 . 1 1 60 60 LEU HD23 H 1 1.085 0.009 . 2 . . . A 60 LEU HD23 . 18842 1 703 . 1 1 60 60 LEU C C 13 175.664 0.000 . 1 . . . A 60 LEU C . 18842 1 704 . 1 1 60 60 LEU CA C 13 53.128 0.010 . 1 . . . A 60 LEU CA . 18842 1 705 . 1 1 60 60 LEU CB C 13 47.435 0.057 . 1 . . . A 60 LEU CB . 18842 1 706 . 1 1 60 60 LEU CG C 13 26.724 0.056 . 1 . . . A 60 LEU CG . 18842 1 707 . 1 1 60 60 LEU CD1 C 13 25.658 0.022 . 2 . . . A 60 LEU CD1 . 18842 1 708 . 1 1 60 60 LEU CD2 C 13 24.755 0.054 . 2 . . . A 60 LEU CD2 . 18842 1 709 . 1 1 60 60 LEU N N 15 118.105 0.029 . 1 . . . A 60 LEU N . 18842 1 710 . 1 1 61 61 ARG H H 1 9.287 0.003 . 1 . . . A 61 ARG H . 18842 1 711 . 1 1 61 61 ARG HA H 1 5.458 0.011 . 1 . . . A 61 ARG HA . 18842 1 712 . 1 1 61 61 ARG HB2 H 1 0.954 0.004 . 2 . . . A 61 ARG HB2 . 18842 1 713 . 1 1 61 61 ARG HB3 H 1 1.329 0.023 . 2 . . . A 61 ARG HB3 . 18842 1 714 . 1 1 61 61 ARG HG3 H 1 1.318 0.000 . 1 . . . A 61 ARG HG3 . 18842 1 715 . 1 1 61 61 ARG C C 13 173.515 0.000 . 1 . . . A 61 ARG C . 18842 1 716 . 1 1 61 61 ARG CA C 13 54.724 0.042 . 1 . . . A 61 ARG CA . 18842 1 717 . 1 1 61 61 ARG CB C 13 35.132 0.000 . 1 . . . A 61 ARG CB . 18842 1 718 . 1 1 61 61 ARG N N 15 120.757 0.027 . 1 . . . A 61 ARG N . 18842 1 719 . 1 1 62 62 LEU H H 1 9.307 0.004 . 1 . . . A 62 LEU H . 18842 1 720 . 1 1 62 62 LEU HA H 1 5.029 0.011 . 1 . . . A 62 LEU HA . 18842 1 721 . 1 1 62 62 LEU HB2 H 1 1.758 0.017 . 2 . . . A 62 LEU HB2 . 18842 1 722 . 1 1 62 62 LEU HB3 H 1 1.881 0.027 . 2 . . . A 62 LEU HB3 . 18842 1 723 . 1 1 62 62 LEU HG H 1 1.859 0.006 . 1 . . . A 62 LEU HG . 18842 1 724 . 1 1 62 62 LEU HD11 H 1 1.052 0.008 . 2 . . . A 62 LEU HD11 . 18842 1 725 . 1 1 62 62 LEU HD12 H 1 1.052 0.008 . 2 . . . A 62 LEU HD12 . 18842 1 726 . 1 1 62 62 LEU HD13 H 1 1.052 0.008 . 2 . . . A 62 LEU HD13 . 18842 1 727 . 1 1 62 62 LEU HD21 H 1 0.932 0.005 . 2 . . . A 62 LEU HD21 . 18842 1 728 . 1 1 62 62 LEU HD22 H 1 0.932 0.005 . 2 . . . A 62 LEU HD22 . 18842 1 729 . 1 1 62 62 LEU HD23 H 1 0.932 0.005 . 2 . . . A 62 LEU HD23 . 18842 1 730 . 1 1 62 62 LEU C C 13 175.440 0.000 . 1 . . . A 62 LEU C . 18842 1 731 . 1 1 62 62 LEU CA C 13 54.400 0.000 . 1 . . . A 62 LEU CA . 18842 1 732 . 1 1 62 62 LEU CB C 13 43.103 0.031 . 1 . . . A 62 LEU CB . 18842 1 733 . 1 1 62 62 LEU CG C 13 29.639 0.035 . 1 . . . A 62 LEU CG . 18842 1 734 . 1 1 62 62 LEU CD1 C 13 25.364 0.088 . 2 . . . A 62 LEU CD1 . 18842 1 735 . 1 1 62 62 LEU CD2 C 13 27.506 0.015 . 2 . . . A 62 LEU CD2 . 18842 1 736 . 1 1 62 62 LEU N N 15 127.139 0.046 . 1 . . . A 62 LEU N . 18842 1 737 . 1 1 63 63 ILE H H 1 8.891 0.005 . 1 . . . A 63 ILE H . 18842 1 738 . 1 1 63 63 ILE HA H 1 4.588 0.007 . 1 . . . A 63 ILE HA . 18842 1 739 . 1 1 63 63 ILE HB H 1 1.970 0.013 . 1 . . . A 63 ILE HB . 18842 1 740 . 1 1 63 63 ILE HG13 H 1 1.228 0.011 . 1 . . . A 63 ILE HG13 . 18842 1 741 . 1 1 63 63 ILE HG21 H 1 1.036 0.006 . 1 . . . A 63 ILE HG21 . 18842 1 742 . 1 1 63 63 ILE HG22 H 1 1.036 0.006 . 1 . . . A 63 ILE HG22 . 18842 1 743 . 1 1 63 63 ILE HG23 H 1 1.036 0.006 . 1 . . . A 63 ILE HG23 . 18842 1 744 . 1 1 63 63 ILE HD11 H 1 0.599 0.006 . 1 . . . A 63 ILE HD11 . 18842 1 745 . 1 1 63 63 ILE HD12 H 1 0.599 0.006 . 1 . . . A 63 ILE HD12 . 18842 1 746 . 1 1 63 63 ILE HD13 H 1 0.599 0.006 . 1 . . . A 63 ILE HD13 . 18842 1 747 . 1 1 63 63 ILE C C 13 176.319 0.000 . 1 . . . A 63 ILE C . 18842 1 748 . 1 1 63 63 ILE CA C 13 59.387 0.034 . 1 . . . A 63 ILE CA . 18842 1 749 . 1 1 63 63 ILE CB C 13 38.121 0.021 . 1 . . . A 63 ILE CB . 18842 1 750 . 1 1 63 63 ILE CG2 C 13 17.520 0.092 . 1 . . . A 63 ILE CG2 . 18842 1 751 . 1 1 63 63 ILE CD1 C 13 11.641 0.147 . 1 . . . A 63 ILE CD1 . 18842 1 752 . 1 1 63 63 ILE N N 15 123.292 0.031 . 1 . . . A 63 ILE N . 18842 1 753 . 1 1 64 64 GLY H H 1 9.356 0.004 . 1 . . . A 64 GLY H . 18842 1 754 . 1 1 64 64 GLY HA2 H 1 4.694 0.006 . 2 . . . A 64 GLY HA2 . 18842 1 755 . 1 1 64 64 GLY HA3 H 1 4.052 0.018 . 2 . . . A 64 GLY HA3 . 18842 1 756 . 1 1 64 64 GLY C C 13 172.551 0.000 . 1 . . . A 64 GLY C . 18842 1 757 . 1 1 64 64 GLY CA C 13 45.429 0.012 . 1 . . . A 64 GLY CA . 18842 1 758 . 1 1 64 64 GLY N N 15 115.565 0.041 . 1 . . . A 64 GLY N . 18842 1 759 . 1 1 65 65 LYS H H 1 8.361 0.003 . 1 . . . A 65 LYS H . 18842 1 760 . 1 1 65 65 LYS HA H 1 4.295 0.006 . 1 . . . A 65 LYS HA . 18842 1 761 . 1 1 65 65 LYS HB2 H 1 1.593 0.013 . 2 . . . A 65 LYS HB2 . 18842 1 762 . 1 1 65 65 LYS HB3 H 1 1.899 0.007 . 2 . . . A 65 LYS HB3 . 18842 1 763 . 1 1 65 65 LYS HG2 H 1 1.216 0.013 . 2 . . . A 65 LYS HG2 . 18842 1 764 . 1 1 65 65 LYS HG3 H 1 1.420 0.012 . 2 . . . A 65 LYS HG3 . 18842 1 765 . 1 1 65 65 LYS HD3 H 1 1.603 0.006 . 1 . . . A 65 LYS HD3 . 18842 1 766 . 1 1 65 65 LYS HE2 H 1 2.958 0.006 . 2 . . . A 65 LYS HE2 . 18842 1 767 . 1 1 65 65 LYS HE3 H 1 2.868 0.002 . 2 . . . A 65 LYS HE3 . 18842 1 768 . 1 1 65 65 LYS C C 13 176.205 0.000 . 1 . . . A 65 LYS C . 18842 1 769 . 1 1 65 65 LYS CA C 13 56.588 0.052 . 1 . . . A 65 LYS CA . 18842 1 770 . 1 1 65 65 LYS CB C 13 34.353 0.059 . 1 . . . A 65 LYS CB . 18842 1 771 . 1 1 65 65 LYS CG C 13 26.427 0.003 . 1 . . . A 65 LYS CG . 18842 1 772 . 1 1 65 65 LYS CD C 13 29.539 0.083 . 1 . . . A 65 LYS CD . 18842 1 773 . 1 1 65 65 LYS CE C 13 42.329 0.011 . 1 . . . A 65 LYS CE . 18842 1 774 . 1 1 65 65 LYS N N 15 119.442 0.040 . 1 . . . A 65 LYS N . 18842 1 775 . 1 1 66 66 VAL H H 1 8.637 0.006 . 1 . . . A 66 VAL H . 18842 1 776 . 1 1 66 66 VAL HA H 1 4.086 0.004 . 1 . . . A 66 VAL HA . 18842 1 777 . 1 1 66 66 VAL HB H 1 1.967 0.007 . 1 . . . A 66 VAL HB . 18842 1 778 . 1 1 66 66 VAL HG11 H 1 0.838 0.010 . 2 . . . A 66 VAL HG11 . 18842 1 779 . 1 1 66 66 VAL HG12 H 1 0.838 0.010 . 2 . . . A 66 VAL HG12 . 18842 1 780 . 1 1 66 66 VAL HG13 H 1 0.838 0.010 . 2 . . . A 66 VAL HG13 . 18842 1 781 . 1 1 66 66 VAL HG21 H 1 0.892 0.020 . 2 . . . A 66 VAL HG21 . 18842 1 782 . 1 1 66 66 VAL HG22 H 1 0.892 0.020 . 2 . . . A 66 VAL HG22 . 18842 1 783 . 1 1 66 66 VAL HG23 H 1 0.892 0.020 . 2 . . . A 66 VAL HG23 . 18842 1 784 . 1 1 66 66 VAL C C 13 175.265 0.000 . 1 . . . A 66 VAL C . 18842 1 785 . 1 1 66 66 VAL CA C 13 62.063 0.020 . 1 . . . A 66 VAL CA . 18842 1 786 . 1 1 66 66 VAL CB C 13 33.264 0.004 . 1 . . . A 66 VAL CB . 18842 1 787 . 1 1 66 66 VAL CG1 C 13 21.289 0.037 . 2 . . . A 66 VAL CG1 . 18842 1 788 . 1 1 66 66 VAL CG2 C 13 21.049 0.000 . 2 . . . A 66 VAL CG2 . 18842 1 789 . 1 1 66 66 VAL N N 15 122.131 0.009 . 1 . . . A 66 VAL N . 18842 1 790 . 1 1 67 67 ASP H H 1 8.460 0.002 . 1 . . . A 67 ASP H . 18842 1 791 . 1 1 67 67 ASP HA H 1 4.727 0.016 . 1 . . . A 67 ASP HA . 18842 1 792 . 1 1 67 67 ASP HB2 H 1 2.590 0.009 . 2 . . . A 67 ASP HB2 . 18842 1 793 . 1 1 67 67 ASP HB3 H 1 2.818 0.009 . 2 . . . A 67 ASP HB3 . 18842 1 794 . 1 1 67 67 ASP C C 13 176.708 0.000 . 1 . . . A 67 ASP C . 18842 1 795 . 1 1 67 67 ASP CA C 13 53.140 0.000 . 1 . . . A 67 ASP CA . 18842 1 796 . 1 1 67 67 ASP CB C 13 40.930 0.000 . 1 . . . A 67 ASP CB . 18842 1 797 . 1 1 67 67 ASP N N 15 125.510 0.029 . 1 . . . A 67 ASP N . 18842 1 798 . 1 1 68 68 GLU H H 1 8.752 0.004 . 1 . . . A 68 GLU H . 18842 1 799 . 1 1 68 68 GLU HA H 1 4.088 0.005 . 1 . . . A 68 GLU HA . 18842 1 800 . 1 1 68 68 GLU HB2 H 1 2.173 0.007 . 2 . . . A 68 GLU HB2 . 18842 1 801 . 1 1 68 68 GLU HB3 H 1 2.005 0.008 . 2 . . . A 68 GLU HB3 . 18842 1 802 . 1 1 68 68 GLU HG2 H 1 2.247 0.008 . 2 . . . A 68 GLU HG2 . 18842 1 803 . 1 1 68 68 GLU HG3 H 1 2.366 0.007 . 2 . . . A 68 GLU HG3 . 18842 1 804 . 1 1 68 68 GLU C C 13 177.451 0.000 . 1 . . . A 68 GLU C . 18842 1 805 . 1 1 68 68 GLU CA C 13 57.855 0.016 . 1 . . . A 68 GLU CA . 18842 1 806 . 1 1 68 68 GLU CB C 13 29.677 0.090 . 1 . . . A 68 GLU CB . 18842 1 807 . 1 1 68 68 GLU CG C 13 36.465 0.023 . 1 . . . A 68 GLU CG . 18842 1 808 . 1 1 68 68 GLU N N 15 124.449 0.014 . 1 . . . A 68 GLU N . 18842 1 809 . 1 1 69 69 SER H H 1 8.497 0.003 . 1 . . . A 69 SER H . 18842 1 810 . 1 1 69 69 SER HA H 1 4.329 0.004 . 1 . . . A 69 SER HA . 18842 1 811 . 1 1 69 69 SER HB2 H 1 3.980 0.020 . 2 . . . A 69 SER HB2 . 18842 1 812 . 1 1 69 69 SER HB3 H 1 3.966 0.019 . 2 . . . A 69 SER HB3 . 18842 1 813 . 1 1 69 69 SER C C 13 175.277 0.000 . 1 . . . A 69 SER C . 18842 1 814 . 1 1 69 69 SER CA C 13 60.139 0.004 . 1 . . . A 69 SER CA . 18842 1 815 . 1 1 69 69 SER CB C 13 63.223 0.007 . 1 . . . A 69 SER CB . 18842 1 816 . 1 1 69 69 SER N N 15 115.515 0.020 . 1 . . . A 69 SER N . 18842 1 817 . 1 1 70 70 LYS H H 1 7.689 0.003 . 1 . . . A 70 LYS H . 18842 1 818 . 1 1 70 70 LYS HA H 1 4.410 0.007 . 1 . . . A 70 LYS HA . 18842 1 819 . 1 1 70 70 LYS HB2 H 1 1.760 0.010 . 2 . . . A 70 LYS HB2 . 18842 1 820 . 1 1 70 70 LYS HB3 H 1 1.941 0.011 . 2 . . . A 70 LYS HB3 . 18842 1 821 . 1 1 70 70 LYS HG2 H 1 1.464 0.010 . 2 . . . A 70 LYS HG2 . 18842 1 822 . 1 1 70 70 LYS HG3 H 1 1.352 0.006 . 2 . . . A 70 LYS HG3 . 18842 1 823 . 1 1 70 70 LYS HD3 H 1 1.662 0.009 . 1 . . . A 70 LYS HD3 . 18842 1 824 . 1 1 70 70 LYS C C 13 177.124 0.000 . 1 . . . A 70 LYS C . 18842 1 825 . 1 1 70 70 LYS CA C 13 55.324 0.008 . 1 . . . A 70 LYS CA . 18842 1 826 . 1 1 70 70 LYS N N 15 121.733 0.022 . 1 . . . A 70 LYS N . 18842 1 827 . 1 1 71 71 LYS H H 1 7.750 0.004 . 1 . . . A 71 LYS H . 18842 1 828 . 1 1 71 71 LYS HA H 1 4.407 0.006 . 1 . . . A 71 LYS HA . 18842 1 829 . 1 1 71 71 LYS HG3 H 1 1.368 0.008 . 1 . . . A 71 LYS HG3 . 18842 1 830 . 1 1 71 71 LYS HD3 H 1 1.675 0.005 . 1 . . . A 71 LYS HD3 . 18842 1 831 . 1 1 71 71 LYS C C 13 176.175 0.000 . 1 . . . A 71 LYS C . 18842 1 832 . 1 1 71 71 LYS CA C 13 56.612 0.013 . 1 . . . A 71 LYS CA . 18842 1 833 . 1 1 71 71 LYS CD C 13 28.750 0.022 . 1 . . . A 71 LYS CD . 18842 1 834 . 1 1 71 71 LYS N N 15 121.012 0.033 . 1 . . . A 71 LYS N . 18842 1 835 . 1 1 72 72 ARG H H 1 8.420 0.002 . 1 . . . A 72 ARG H . 18842 1 836 . 1 1 72 72 ARG HA H 1 4.601 0.012 . 1 . . . A 72 ARG HA . 18842 1 837 . 1 1 72 72 ARG HB2 H 1 1.889 0.007 . 2 . . . A 72 ARG HB2 . 18842 1 838 . 1 1 72 72 ARG HB3 H 1 1.763 0.002 . 2 . . . A 72 ARG HB3 . 18842 1 839 . 1 1 72 72 ARG HG3 H 1 1.589 0.005 . 1 . . . A 72 ARG HG3 . 18842 1 840 . 1 1 72 72 ARG HD2 H 1 3.206 0.004 . 1 . . . A 72 ARG HD2 . 18842 1 841 . 1 1 72 72 ARG C C 13 175.228 0.000 . 1 . . . A 72 ARG C . 18842 1 842 . 1 1 72 72 ARG CA C 13 54.929 0.003 . 1 . . . A 72 ARG CA . 18842 1 843 . 1 1 72 72 ARG CB C 13 32.325 0.008 . 1 . . . A 72 ARG CB . 18842 1 844 . 1 1 72 72 ARG CG C 13 26.943 0.029 . 1 . . . A 72 ARG CG . 18842 1 845 . 1 1 72 72 ARG CD C 13 43.316 0.059 . 1 . . . A 72 ARG CD . 18842 1 846 . 1 1 72 72 ARG N N 15 122.064 0.020 . 1 . . . A 72 ARG N . 18842 1 847 . 1 1 73 73 LYS H H 1 8.401 0.002 . 1 . . . A 73 LYS H . 18842 1 848 . 1 1 73 73 LYS HA H 1 4.933 0.018 . 1 . . . A 73 LYS HA . 18842 1 849 . 1 1 73 73 LYS HB3 H 1 1.725 0.006 . 1 . . . A 73 LYS HB3 . 18842 1 850 . 1 1 73 73 LYS HG2 H 1 1.316 0.003 . 2 . . . A 73 LYS HG2 . 18842 1 851 . 1 1 73 73 LYS HG3 H 1 1.425 0.007 . 2 . . . A 73 LYS HG3 . 18842 1 852 . 1 1 73 73 LYS HD3 H 1 1.614 0.015 . 1 . . . A 73 LYS HD3 . 18842 1 853 . 1 1 73 73 LYS HE3 H 1 2.972 0.000 . 1 . . . A 73 LYS HE3 . 18842 1 854 . 1 1 73 73 LYS C C 13 177.010 0.000 . 1 . . . A 73 LYS C . 18842 1 855 . 1 1 73 73 LYS CA C 13 55.205 0.034 . 1 . . . A 73 LYS CA . 18842 1 856 . 1 1 73 73 LYS CB C 13 34.680 0.000 . 1 . . . A 73 LYS CB . 18842 1 857 . 1 1 73 73 LYS N N 15 121.217 0.023 . 1 . . . A 73 LYS N . 18842 1 858 . 1 1 74 74 ASP H H 1 8.582 0.002 . 1 . . . A 74 ASP H . 18842 1 859 . 1 1 74 74 ASP HA H 1 4.710 0.050 . 1 . . . A 74 ASP HA . 18842 1 860 . 1 1 74 74 ASP HB2 H 1 2.638 0.004 . 2 . . . A 74 ASP HB2 . 18842 1 861 . 1 1 74 74 ASP HB3 H 1 3.171 0.013 . 2 . . . A 74 ASP HB3 . 18842 1 862 . 1 1 74 74 ASP C C 13 177.475 0.000 . 1 . . . A 74 ASP C . 18842 1 863 . 1 1 74 74 ASP CA C 13 52.756 0.018 . 1 . . . A 74 ASP CA . 18842 1 864 . 1 1 74 74 ASP CB C 13 41.022 0.021 . 1 . . . A 74 ASP CB . 18842 1 865 . 1 1 74 74 ASP N N 15 122.025 0.023 . 1 . . . A 74 ASP N . 18842 1 866 . 1 1 75 75 ASN H H 1 8.433 0.006 . 1 . . . A 75 ASN H . 18842 1 867 . 1 1 75 75 ASN HA H 1 4.536 0.004 . 1 . . . A 75 ASN HA . 18842 1 868 . 1 1 75 75 ASN HB2 H 1 2.867 0.006 . 1 . . . A 75 ASN HB2 . 18842 1 869 . 1 1 75 75 ASN HD21 H 1 7.657 0.000 . 1 . . . A 75 ASN HD21 . 18842 1 870 . 1 1 75 75 ASN HD22 H 1 6.960 0.000 . 1 . . . A 75 ASN HD22 . 18842 1 871 . 1 1 75 75 ASN C C 13 175.999 0.000 . 1 . . . A 75 ASN C . 18842 1 872 . 1 1 75 75 ASN CA C 13 54.853 0.000 . 1 . . . A 75 ASN CA . 18842 1 873 . 1 1 75 75 ASN CB C 13 38.132 0.013 . 1 . . . A 75 ASN CB . 18842 1 874 . 1 1 75 75 ASN CG C 13 177.095 0.008 . 1 . . . A 75 ASN CG . 18842 1 875 . 1 1 75 75 ASN N N 15 116.228 0.116 . 1 . . . A 75 ASN N . 18842 1 876 . 1 1 75 75 ASN ND2 N 15 112.592 0.022 . 1 . . . A 75 ASN ND2 . 18842 1 877 . 1 1 76 76 GLU H H 1 8.162 0.001 . 1 . . . A 76 GLU H . 18842 1 878 . 1 1 76 76 GLU HA H 1 4.381 0.008 . 1 . . . A 76 GLU HA . 18842 1 879 . 1 1 76 76 GLU HB3 H 1 1.967 0.003 . 1 . . . A 76 GLU HB3 . 18842 1 880 . 1 1 76 76 GLU HG2 H 1 2.225 0.009 . 1 . . . A 76 GLU HG2 . 18842 1 881 . 1 1 76 76 GLU C C 13 176.556 0.000 . 1 . . . A 76 GLU C . 18842 1 882 . 1 1 76 76 GLU CA C 13 56.163 0.000 . 1 . . . A 76 GLU CA . 18842 1 883 . 1 1 76 76 GLU CG C 13 36.773 0.005 . 1 . . . A 76 GLU CG . 18842 1 884 . 1 1 76 76 GLU N N 15 118.958 0.014 . 1 . . . A 76 GLU N . 18842 1 885 . 1 1 77 77 GLY H H 1 8.106 0.003 . 1 . . . A 77 GLY H . 18842 1 886 . 1 1 77 77 GLY HA2 H 1 3.664 0.004 . 2 . . . A 77 GLY HA2 . 18842 1 887 . 1 1 77 77 GLY HA3 H 1 4.205 0.007 . 2 . . . A 77 GLY HA3 . 18842 1 888 . 1 1 77 77 GLY C C 13 174.247 0.000 . 1 . . . A 77 GLY C . 18842 1 889 . 1 1 77 77 GLY CA C 13 45.210 0.041 . 1 . . . A 77 GLY CA . 18842 1 890 . 1 1 77 77 GLY N N 15 108.062 0.011 . 1 . . . A 77 GLY N . 18842 1 891 . 1 1 78 78 ASN H H 1 8.569 0.004 . 1 . . . A 78 ASN H . 18842 1 892 . 1 1 78 78 ASN HA H 1 4.746 0.003 . 1 . . . A 78 ASN HA . 18842 1 893 . 1 1 78 78 ASN HB2 H 1 2.857 0.007 . 2 . . . A 78 ASN HB2 . 18842 1 894 . 1 1 78 78 ASN HB3 H 1 2.663 0.007 . 2 . . . A 78 ASN HB3 . 18842 1 895 . 1 1 78 78 ASN HD21 H 1 7.070 0.003 . 1 . . . A 78 ASN HD21 . 18842 1 896 . 1 1 78 78 ASN HD22 H 1 8.260 0.004 . 1 . . . A 78 ASN HD22 . 18842 1 897 . 1 1 78 78 ASN C C 13 175.035 0.000 . 1 . . . A 78 ASN C . 18842 1 898 . 1 1 78 78 ASN CA C 13 52.795 0.007 . 1 . . . A 78 ASN CA . 18842 1 899 . 1 1 78 78 ASN CB C 13 38.945 0.024 . 1 . . . A 78 ASN CB . 18842 1 900 . 1 1 78 78 ASN CG C 13 176.970 0.012 . 1 . . . A 78 ASN CG . 18842 1 901 . 1 1 78 78 ASN N N 15 119.929 0.017 . 1 . . . A 78 ASN N . 18842 1 902 . 1 1 78 78 ASN ND2 N 15 117.103 0.183 . 1 . . . A 78 ASN ND2 . 18842 1 903 . 1 1 79 79 GLU H H 1 8.691 0.001 . 1 . . . A 79 GLU H . 18842 1 904 . 1 1 79 79 GLU HA H 1 4.481 0.012 . 1 . . . A 79 GLU HA . 18842 1 905 . 1 1 79 79 GLU HB3 H 1 1.932 0.005 . 1 . . . A 79 GLU HB3 . 18842 1 906 . 1 1 79 79 GLU HG2 H 1 2.098 0.006 . 2 . . . A 79 GLU HG2 . 18842 1 907 . 1 1 79 79 GLU HG3 H 1 2.275 0.003 . 2 . . . A 79 GLU HG3 . 18842 1 908 . 1 1 79 79 GLU C C 13 176.302 0.000 . 1 . . . A 79 GLU C . 18842 1 909 . 1 1 79 79 GLU CA C 13 56.662 0.008 . 1 . . . A 79 GLU CA . 18842 1 910 . 1 1 79 79 GLU CB C 13 30.643 0.029 . 1 . . . A 79 GLU CB . 18842 1 911 . 1 1 79 79 GLU CG C 13 36.887 0.024 . 1 . . . A 79 GLU CG . 18842 1 912 . 1 1 79 79 GLU N N 15 121.658 0.013 . 1 . . . A 79 GLU N . 18842 1 913 . 1 1 80 80 VAL H H 1 8.581 0.010 . 1 . . . A 80 VAL H . 18842 1 914 . 1 1 80 80 VAL HA H 1 4.255 0.008 . 1 . . . A 80 VAL HA . 18842 1 915 . 1 1 80 80 VAL HB H 1 1.959 0.008 . 1 . . . A 80 VAL HB . 18842 1 916 . 1 1 80 80 VAL HG21 H 1 0.867 0.008 . 1 . . . A 80 VAL HG21 . 18842 1 917 . 1 1 80 80 VAL HG22 H 1 0.867 0.008 . 1 . . . A 80 VAL HG22 . 18842 1 918 . 1 1 80 80 VAL HG23 H 1 0.867 0.008 . 1 . . . A 80 VAL HG23 . 18842 1 919 . 1 1 80 80 VAL C C 13 175.544 0.000 . 1 . . . A 80 VAL C . 18842 1 920 . 1 1 80 80 VAL CA C 13 61.293 0.041 . 1 . . . A 80 VAL CA . 18842 1 921 . 1 1 80 80 VAL CB C 13 33.543 0.096 . 1 . . . A 80 VAL CB . 18842 1 922 . 1 1 80 80 VAL CG2 C 13 20.488 0.027 . 1 . . . A 80 VAL CG2 . 18842 1 923 . 1 1 80 80 VAL N N 15 123.997 0.144 . 1 . . . A 80 VAL N . 18842 1 924 . 1 1 81 81 VAL H H 1 8.407 0.002 . 1 . . . A 81 VAL H . 18842 1 925 . 1 1 81 81 VAL HA H 1 4.426 0.005 . 1 . . . A 81 VAL HA . 18842 1 926 . 1 1 81 81 VAL HB H 1 2.039 0.008 . 1 . . . A 81 VAL HB . 18842 1 927 . 1 1 81 81 VAL HG21 H 1 0.979 0.010 . 1 . . . A 81 VAL HG21 . 18842 1 928 . 1 1 81 81 VAL HG22 H 1 0.979 0.010 . 1 . . . A 81 VAL HG22 . 18842 1 929 . 1 1 81 81 VAL HG23 H 1 0.979 0.010 . 1 . . . A 81 VAL HG23 . 18842 1 930 . 1 1 81 81 VAL CA C 13 59.551 0.032 . 1 . . . A 81 VAL CA . 18842 1 931 . 1 1 81 81 VAL CB C 13 32.894 0.000 . 1 . . . A 81 VAL CB . 18842 1 932 . 1 1 81 81 VAL CG2 C 13 20.966 0.093 . 1 . . . A 81 VAL CG2 . 18842 1 933 . 1 1 81 81 VAL N N 15 126.545 0.027 . 1 . . . A 81 VAL N . 18842 1 934 . 1 1 82 82 PRO HA H 1 4.432 0.002 . 1 . . . A 82 PRO HA . 18842 1 935 . 1 1 82 82 PRO HB2 H 1 2.260 0.000 . 1 . . . A 82 PRO HB2 . 18842 1 936 . 1 1 82 82 PRO HG2 H 1 1.948 0.001 . 2 . . . A 82 PRO HG2 . 18842 1 937 . 1 1 82 82 PRO HG3 H 1 2.040 0.000 . 2 . . . A 82 PRO HG3 . 18842 1 938 . 1 1 82 82 PRO HD2 H 1 3.632 0.013 . 2 . . . A 82 PRO HD2 . 18842 1 939 . 1 1 82 82 PRO HD3 H 1 3.853 0.003 . 2 . . . A 82 PRO HD3 . 18842 1 940 . 1 1 82 82 PRO C C 13 176.036 0.000 . 1 . . . A 82 PRO C . 18842 1 941 . 1 1 82 82 PRO CA C 13 62.565 0.021 . 1 . . . A 82 PRO CA . 18842 1 942 . 1 1 82 82 PRO CG C 13 27.601 0.001 . 1 . . . A 82 PRO CG . 18842 1 943 . 1 1 82 82 PRO CD C 13 51.090 0.002 . 1 . . . A 82 PRO CD . 18842 1 944 . 1 1 83 83 LYS H H 1 8.316 0.001 . 1 . . . A 83 LYS H . 18842 1 945 . 1 1 83 83 LYS HA H 1 4.551 0.003 . 1 . . . A 83 LYS HA . 18842 1 946 . 1 1 83 83 LYS HB3 H 1 1.796 0.004 . 1 . . . A 83 LYS HB3 . 18842 1 947 . 1 1 83 83 LYS HG3 H 1 1.528 0.013 . 1 . . . A 83 LYS HG3 . 18842 1 948 . 1 1 83 83 LYS HD3 H 1 1.668 0.000 . 1 . . . A 83 LYS HD3 . 18842 1 949 . 1 1 83 83 LYS CA C 13 53.779 0.010 . 1 . . . A 83 LYS CA . 18842 1 950 . 1 1 83 83 LYS N N 15 121.727 0.032 . 1 . . . A 83 LYS N . 18842 1 951 . 1 1 84 84 PRO HA H 1 4.293 0.008 . 1 . . . A 84 PRO HA . 18842 1 952 . 1 1 84 84 PRO HB2 H 1 2.250 0.009 . 2 . . . A 84 PRO HB2 . 18842 1 953 . 1 1 84 84 PRO HB3 H 1 1.806 0.002 . 2 . . . A 84 PRO HB3 . 18842 1 954 . 1 1 84 84 PRO HG3 H 1 1.942 0.021 . 1 . . . A 84 PRO HG3 . 18842 1 955 . 1 1 84 84 PRO HD2 H 1 3.619 0.006 . 2 . . . A 84 PRO HD2 . 18842 1 956 . 1 1 84 84 PRO HD3 H 1 3.774 0.011 . 2 . . . A 84 PRO HD3 . 18842 1 957 . 1 1 84 84 PRO C C 13 176.883 0.000 . 1 . . . A 84 PRO C . 18842 1 958 . 1 1 84 84 PRO CA C 13 62.476 0.010 . 1 . . . A 84 PRO CA . 18842 1 959 . 1 1 84 84 PRO CB C 13 32.441 0.039 . 1 . . . A 84 PRO CB . 18842 1 960 . 1 1 84 84 PRO CG C 13 27.460 0.000 . 1 . . . A 84 PRO CG . 18842 1 961 . 1 1 84 84 PRO CD C 13 50.414 0.053 . 1 . . . A 84 PRO CD . 18842 1 962 . 1 1 85 85 GLN H H 1 8.471 0.004 . 1 . . . A 85 GLN H . 18842 1 963 . 1 1 85 85 GLN HA H 1 4.145 0.004 . 1 . . . A 85 GLN HA . 18842 1 964 . 1 1 85 85 GLN HB2 H 1 1.931 0.014 . 2 . . . A 85 GLN HB2 . 18842 1 965 . 1 1 85 85 GLN HB3 H 1 1.841 0.006 . 2 . . . A 85 GLN HB3 . 18842 1 966 . 1 1 85 85 GLN HG2 H 1 2.216 0.008 . 2 . . . A 85 GLN HG2 . 18842 1 967 . 1 1 85 85 GLN HG3 H 1 2.339 0.003 . 2 . . . A 85 GLN HG3 . 18842 1 968 . 1 1 85 85 GLN HE21 H 1 7.024 0.001 . 1 . . . A 85 GLN HE21 . 18842 1 969 . 1 1 85 85 GLN HE22 H 1 7.617 0.003 . 1 . . . A 85 GLN HE22 . 18842 1 970 . 1 1 85 85 GLN C C 13 175.026 0.000 . 1 . . . A 85 GLN C . 18842 1 971 . 1 1 85 85 GLN CA C 13 56.041 0.007 . 1 . . . A 85 GLN CA . 18842 1 972 . 1 1 85 85 GLN CB C 13 29.809 0.000 . 1 . . . A 85 GLN CB . 18842 1 973 . 1 1 85 85 GLN CG C 13 34.104 0.014 . 1 . . . A 85 GLN CG . 18842 1 974 . 1 1 85 85 GLN CD C 13 180.238 0.012 . 1 . . . A 85 GLN CD . 18842 1 975 . 1 1 85 85 GLN N N 15 121.423 0.020 . 1 . . . A 85 GLN N . 18842 1 976 . 1 1 85 85 GLN NE2 N 15 112.539 0.180 . 1 . . . A 85 GLN NE2 . 18842 1 977 . 1 1 86 86 ARG H H 1 8.265 0.004 . 1 . . . A 86 ARG H . 18842 1 978 . 1 1 86 86 ARG HA H 1 5.187 0.007 . 1 . . . A 86 ARG HA . 18842 1 979 . 1 1 86 86 ARG HB2 H 1 1.349 0.008 . 2 . . . A 86 ARG HB2 . 18842 1 980 . 1 1 86 86 ARG HB3 H 1 1.649 0.006 . 2 . . . A 86 ARG HB3 . 18842 1 981 . 1 1 86 86 ARG HG2 H 1 1.366 0.011 . 2 . . . A 86 ARG HG2 . 18842 1 982 . 1 1 86 86 ARG HG3 H 1 1.588 0.007 . 2 . . . A 86 ARG HG3 . 18842 1 983 . 1 1 86 86 ARG HD2 H 1 2.875 0.007 . 2 . . . A 86 ARG HD2 . 18842 1 984 . 1 1 86 86 ARG HD3 H 1 2.976 0.002 . 2 . . . A 86 ARG HD3 . 18842 1 985 . 1 1 86 86 ARG C C 13 175.091 0.000 . 1 . . . A 86 ARG C . 18842 1 986 . 1 1 86 86 ARG CA C 13 54.392 0.023 . 1 . . . A 86 ARG CA . 18842 1 987 . 1 1 86 86 ARG CB C 13 33.428 0.032 . 1 . . . A 86 ARG CB . 18842 1 988 . 1 1 86 86 ARG CG C 13 27.158 0.047 . 1 . . . A 86 ARG CG . 18842 1 989 . 1 1 86 86 ARG CD C 13 43.641 0.029 . 1 . . . A 86 ARG CD . 18842 1 990 . 1 1 86 86 ARG N N 15 120.972 0.063 . 1 . . . A 86 ARG N . 18842 1 991 . 1 1 87 87 HIS H H 1 8.590 0.003 . 1 . . . A 87 HIS H . 18842 1 992 . 1 1 87 87 HIS HA H 1 4.745 0.010 . 1 . . . A 87 HIS HA . 18842 1 993 . 1 1 87 87 HIS HB2 H 1 3.215 0.012 . 2 . . . A 87 HIS HB2 . 18842 1 994 . 1 1 87 87 HIS HB3 H 1 2.737 0.011 . 2 . . . A 87 HIS HB3 . 18842 1 995 . 1 1 87 87 HIS HD2 H 1 6.680 0.007 . 1 . . . A 87 HIS HD2 . 18842 1 996 . 1 1 87 87 HIS C C 13 173.730 0.000 . 1 . . . A 87 HIS C . 18842 1 997 . 1 1 87 87 HIS CA C 13 54.207 0.019 . 1 . . . A 87 HIS CA . 18842 1 998 . 1 1 87 87 HIS CB C 13 33.597 0.074 . 1 . . . A 87 HIS CB . 18842 1 999 . 1 1 87 87 HIS CD2 C 13 117.980 0.071 . 1 . . . A 87 HIS CD2 . 18842 1 1000 . 1 1 87 87 HIS N N 15 120.390 0.041 . 1 . . . A 87 HIS N . 18842 1 1001 . 1 1 88 88 MET H H 1 8.716 0.003 . 1 . . . A 88 MET H . 18842 1 1002 . 1 1 88 88 MET HA H 1 5.320 0.009 . 1 . . . A 88 MET HA . 18842 1 1003 . 1 1 88 88 MET HB2 H 1 1.918 0.006 . 2 . . . A 88 MET HB2 . 18842 1 1004 . 1 1 88 88 MET HB3 H 1 1.567 0.008 . 2 . . . A 88 MET HB3 . 18842 1 1005 . 1 1 88 88 MET HG2 H 1 2.356 0.018 . 2 . . . A 88 MET HG2 . 18842 1 1006 . 1 1 88 88 MET HG3 H 1 2.322 0.006 . 2 . . . A 88 MET HG3 . 18842 1 1007 . 1 1 88 88 MET HE1 H 1 1.903 0.004 . 1 . . . A 88 MET HE1 . 18842 1 1008 . 1 1 88 88 MET HE2 H 1 1.903 0.004 . 1 . . . A 88 MET HE2 . 18842 1 1009 . 1 1 88 88 MET HE3 H 1 1.903 0.004 . 1 . . . A 88 MET HE3 . 18842 1 1010 . 1 1 88 88 MET C C 13 173.520 0.000 . 1 . . . A 88 MET C . 18842 1 1011 . 1 1 88 88 MET CA C 13 54.782 0.054 . 1 . . . A 88 MET CA . 18842 1 1012 . 1 1 88 88 MET CB C 13 35.451 0.030 . 1 . . . A 88 MET CB . 18842 1 1013 . 1 1 88 88 MET CG C 13 32.500 0.004 . 1 . . . A 88 MET CG . 18842 1 1014 . 1 1 88 88 MET CE C 13 17.811 0.109 . 1 . . . A 88 MET CE . 18842 1 1015 . 1 1 88 88 MET N N 15 126.611 0.027 . 1 . . . A 88 MET N . 18842 1 1016 . 1 1 89 89 PHE H H 1 8.989 0.005 . 1 . . . A 89 PHE H . 18842 1 1017 . 1 1 89 89 PHE HA H 1 5.210 0.008 . 1 . . . A 89 PHE HA . 18842 1 1018 . 1 1 89 89 PHE HB2 H 1 2.267 0.004 . 2 . . . A 89 PHE HB2 . 18842 1 1019 . 1 1 89 89 PHE HB3 H 1 2.602 0.019 . 2 . . . A 89 PHE HB3 . 18842 1 1020 . 1 1 89 89 PHE HD1 H 1 6.838 0.011 . 3 . . . A 89 PHE HD1 . 18842 1 1021 . 1 1 89 89 PHE HD2 H 1 6.838 0.011 . 3 . . . A 89 PHE HD2 . 18842 1 1022 . 1 1 89 89 PHE HE1 H 1 6.663 0.007 . 3 . . . A 89 PHE HE1 . 18842 1 1023 . 1 1 89 89 PHE HE2 H 1 6.663 0.007 . 3 . . . A 89 PHE HE2 . 18842 1 1024 . 1 1 89 89 PHE HZ H 1 6.599 0.007 . 1 . . . A 89 PHE HZ . 18842 1 1025 . 1 1 89 89 PHE C C 13 174.448 0.000 . 1 . . . A 89 PHE C . 18842 1 1026 . 1 1 89 89 PHE CA C 13 56.452 0.024 . 1 . . . A 89 PHE CA . 18842 1 1027 . 1 1 89 89 PHE CB C 13 44.088 0.044 . 1 . . . A 89 PHE CB . 18842 1 1028 . 1 1 89 89 PHE CD1 C 13 130.891 0.030 . 3 . . . A 89 PHE CD1 . 18842 1 1029 . 1 1 89 89 PHE CD2 C 13 130.891 0.030 . 3 . . . A 89 PHE CD2 . 18842 1 1030 . 1 1 89 89 PHE CE1 C 13 129.986 0.025 . 3 . . . A 89 PHE CE1 . 18842 1 1031 . 1 1 89 89 PHE CE2 C 13 129.986 0.025 . 3 . . . A 89 PHE CE2 . 18842 1 1032 . 1 1 89 89 PHE CZ C 13 127.335 0.017 . 1 . . . A 89 PHE CZ . 18842 1 1033 . 1 1 89 89 PHE N N 15 122.328 0.051 . 1 . . . A 89 PHE N . 18842 1 1034 . 1 1 90 90 SER H H 1 8.680 0.004 . 1 . . . A 90 SER H . 18842 1 1035 . 1 1 90 90 SER HA H 1 5.681 0.013 . 1 . . . A 90 SER HA . 18842 1 1036 . 1 1 90 90 SER HB2 H 1 3.727 0.007 . 2 . . . A 90 SER HB2 . 18842 1 1037 . 1 1 90 90 SER HB3 H 1 3.835 0.006 . 2 . . . A 90 SER HB3 . 18842 1 1038 . 1 1 90 90 SER C C 13 173.094 0.000 . 1 . . . A 90 SER C . 18842 1 1039 . 1 1 90 90 SER CA C 13 56.645 0.043 . 1 . . . A 90 SER CA . 18842 1 1040 . 1 1 90 90 SER CB C 13 64.824 0.044 . 1 . . . A 90 SER CB . 18842 1 1041 . 1 1 90 90 SER N N 15 116.094 0.049 . 1 . . . A 90 SER N . 18842 1 1042 . 1 1 91 91 PHE H H 1 9.050 0.009 . 1 . . . A 91 PHE H . 18842 1 1043 . 1 1 91 91 PHE HA H 1 4.894 0.010 . 1 . . . A 91 PHE HA . 18842 1 1044 . 1 1 91 91 PHE HB2 H 1 3.334 0.009 . 2 . . . A 91 PHE HB2 . 18842 1 1045 . 1 1 91 91 PHE HB3 H 1 2.821 0.009 . 2 . . . A 91 PHE HB3 . 18842 1 1046 . 1 1 91 91 PHE HD1 H 1 7.507 0.015 . 3 . . . A 91 PHE HD1 . 18842 1 1047 . 1 1 91 91 PHE HD2 H 1 7.507 0.015 . 3 . . . A 91 PHE HD2 . 18842 1 1048 . 1 1 91 91 PHE HE1 H 1 7.102 0.012 . 3 . . . A 91 PHE HE1 . 18842 1 1049 . 1 1 91 91 PHE HE2 H 1 7.102 0.012 . 3 . . . A 91 PHE HE2 . 18842 1 1050 . 1 1 91 91 PHE HZ H 1 6.819 0.011 . 1 . . . A 91 PHE HZ . 18842 1 1051 . 1 1 91 91 PHE C C 13 174.500 0.000 . 1 . . . A 91 PHE C . 18842 1 1052 . 1 1 91 91 PHE CA C 13 57.402 0.042 . 1 . . . A 91 PHE CA . 18842 1 1053 . 1 1 91 91 PHE CB C 13 43.327 0.057 . 1 . . . A 91 PHE CB . 18842 1 1054 . 1 1 91 91 PHE CD1 C 13 131.989 0.078 . 3 . . . A 91 PHE CD1 . 18842 1 1055 . 1 1 91 91 PHE CD2 C 13 131.989 0.078 . 3 . . . A 91 PHE CD2 . 18842 1 1056 . 1 1 91 91 PHE CE1 C 13 130.151 0.038 . 3 . . . A 91 PHE CE1 . 18842 1 1057 . 1 1 91 91 PHE CE2 C 13 130.151 0.038 . 3 . . . A 91 PHE CE2 . 18842 1 1058 . 1 1 91 91 PHE CZ C 13 126.835 0.044 . 1 . . . A 91 PHE CZ . 18842 1 1059 . 1 1 91 91 PHE N N 15 120.812 0.025 . 1 . . . A 91 PHE N . 18842 1 1060 . 1 1 92 92 ASN H H 1 9.135 0.002 . 1 . . . A 92 ASN H . 18842 1 1061 . 1 1 92 92 ASN HA H 1 5.102 0.007 . 1 . . . A 92 ASN HA . 18842 1 1062 . 1 1 92 92 ASN HB2 H 1 2.919 0.006 . 1 . . . A 92 ASN HB2 . 18842 1 1063 . 1 1 92 92 ASN HD21 H 1 6.810 0.003 . 1 . . . A 92 ASN HD21 . 18842 1 1064 . 1 1 92 92 ASN HD22 H 1 7.607 0.002 . 1 . . . A 92 ASN HD22 . 18842 1 1065 . 1 1 92 92 ASN C C 13 174.901 0.000 . 1 . . . A 92 ASN C . 18842 1 1066 . 1 1 92 92 ASN CA C 13 52.207 0.004 . 1 . . . A 92 ASN CA . 18842 1 1067 . 1 1 92 92 ASN CB C 13 39.864 0.010 . 1 . . . A 92 ASN CB . 18842 1 1068 . 1 1 92 92 ASN CG C 13 177.065 0.011 . 1 . . . A 92 ASN CG . 18842 1 1069 . 1 1 92 92 ASN N N 15 115.876 0.026 . 1 . . . A 92 ASN N . 18842 1 1070 . 1 1 92 92 ASN ND2 N 15 111.099 0.179 . 1 . . . A 92 ASN ND2 . 18842 1 1071 . 1 1 93 93 ASN H H 1 7.271 0.002 . 1 . . . A 93 ASN H . 18842 1 1072 . 1 1 93 93 ASN HA H 1 4.901 0.007 . 1 . . . A 93 ASN HA . 18842 1 1073 . 1 1 93 93 ASN HB2 H 1 2.859 0.034 . 2 . . . A 93 ASN HB2 . 18842 1 1074 . 1 1 93 93 ASN HB3 H 1 2.914 0.007 . 2 . . . A 93 ASN HB3 . 18842 1 1075 . 1 1 93 93 ASN HD21 H 1 7.911 0.005 . 1 . . . A 93 ASN HD21 . 18842 1 1076 . 1 1 93 93 ASN HD22 H 1 7.210 0.003 . 1 . . . A 93 ASN HD22 . 18842 1 1077 . 1 1 93 93 ASN C C 13 174.579 0.000 . 1 . . . A 93 ASN C . 18842 1 1078 . 1 1 93 93 ASN CA C 13 53.028 0.017 . 1 . . . A 93 ASN CA . 18842 1 1079 . 1 1 93 93 ASN CB C 13 41.802 0.006 . 1 . . . A 93 ASN CB . 18842 1 1080 . 1 1 93 93 ASN CG C 13 176.424 0.017 . 1 . . . A 93 ASN CG . 18842 1 1081 . 1 1 93 93 ASN N N 15 118.335 0.024 . 1 . . . A 93 ASN N . 18842 1 1082 . 1 1 93 93 ASN ND2 N 15 113.903 0.174 . 1 . . . A 93 ASN ND2 . 18842 1 1083 . 1 1 94 94 ARG H H 1 9.334 0.005 . 1 . . . A 94 ARG H . 18842 1 1084 . 1 1 94 94 ARG HA H 1 3.865 0.010 . 1 . . . A 94 ARG HA . 18842 1 1085 . 1 1 94 94 ARG HB2 H 1 1.997 0.006 . 2 . . . A 94 ARG HB2 . 18842 1 1086 . 1 1 94 94 ARG HB3 H 1 1.820 0.002 . 2 . . . A 94 ARG HB3 . 18842 1 1087 . 1 1 94 94 ARG HG3 H 1 1.789 0.011 . 1 . . . A 94 ARG HG3 . 18842 1 1088 . 1 1 94 94 ARG HD2 H 1 3.377 0.006 . 2 . . . A 94 ARG HD2 . 18842 1 1089 . 1 1 94 94 ARG HD3 H 1 3.120 0.006 . 2 . . . A 94 ARG HD3 . 18842 1 1090 . 1 1 94 94 ARG HE H 1 7.419 0.005 . 1 . . . A 94 ARG HE . 18842 1 1091 . 1 1 94 94 ARG C C 13 176.782 0.000 . 1 . . . A 94 ARG C . 18842 1 1092 . 1 1 94 94 ARG CA C 13 59.051 0.030 . 1 . . . A 94 ARG CA . 18842 1 1093 . 1 1 94 94 ARG CD C 13 42.507 0.051 . 1 . . . A 94 ARG CD . 18842 1 1094 . 1 1 94 94 ARG N N 15 129.027 0.028 . 1 . . . A 94 ARG N . 18842 1 1095 . 1 1 94 94 ARG NE N 15 109.917 0.020 . 1 . . . A 94 ARG NE . 18842 1 1096 . 1 1 95 95 THR H H 1 8.000 0.001 . 1 . . . A 95 THR H . 18842 1 1097 . 1 1 95 95 THR HA H 1 4.028 0.009 . 1 . . . A 95 THR HA . 18842 1 1098 . 1 1 95 95 THR HB H 1 4.329 0.008 . 1 . . . A 95 THR HB . 18842 1 1099 . 1 1 95 95 THR HG21 H 1 1.283 0.008 . 1 . . . A 95 THR HG21 . 18842 1 1100 . 1 1 95 95 THR HG22 H 1 1.283 0.008 . 1 . . . A 95 THR HG22 . 18842 1 1101 . 1 1 95 95 THR HG23 H 1 1.283 0.008 . 1 . . . A 95 THR HG23 . 18842 1 1102 . 1 1 95 95 THR C C 13 176.742 0.000 . 1 . . . A 95 THR C . 18842 1 1103 . 1 1 95 95 THR CA C 13 66.325 0.007 . 1 . . . A 95 THR CA . 18842 1 1104 . 1 1 95 95 THR CB C 13 68.281 0.010 . 1 . . . A 95 THR CB . 18842 1 1105 . 1 1 95 95 THR CG2 C 13 22.022 0.016 . 1 . . . A 95 THR CG2 . 18842 1 1106 . 1 1 95 95 THR N N 15 115.756 0.083 . 1 . . . A 95 THR N . 18842 1 1107 . 1 1 96 96 VAL H H 1 7.609 0.003 . 1 . . . A 96 VAL H . 18842 1 1108 . 1 1 96 96 VAL HA H 1 3.796 0.011 . 1 . . . A 96 VAL HA . 18842 1 1109 . 1 1 96 96 VAL HB H 1 2.375 0.011 . 1 . . . A 96 VAL HB . 18842 1 1110 . 1 1 96 96 VAL HG11 H 1 1.283 0.020 . 2 . . . A 96 VAL HG11 . 18842 1 1111 . 1 1 96 96 VAL HG12 H 1 1.283 0.020 . 2 . . . A 96 VAL HG12 . 18842 1 1112 . 1 1 96 96 VAL HG13 H 1 1.283 0.020 . 2 . . . A 96 VAL HG13 . 18842 1 1113 . 1 1 96 96 VAL HG21 H 1 1.236 0.006 . 2 . . . A 96 VAL HG21 . 18842 1 1114 . 1 1 96 96 VAL HG22 H 1 1.236 0.006 . 2 . . . A 96 VAL HG22 . 18842 1 1115 . 1 1 96 96 VAL HG23 H 1 1.236 0.006 . 2 . . . A 96 VAL HG23 . 18842 1 1116 . 1 1 96 96 VAL C C 13 177.587 0.000 . 1 . . . A 96 VAL C . 18842 1 1117 . 1 1 96 96 VAL CA C 13 65.958 0.044 . 1 . . . A 96 VAL CA . 18842 1 1118 . 1 1 96 96 VAL CB C 13 32.027 0.025 . 1 . . . A 96 VAL CB . 18842 1 1119 . 1 1 96 96 VAL CG1 C 13 21.448 0.024 . 2 . . . A 96 VAL CG1 . 18842 1 1120 . 1 1 96 96 VAL CG2 C 13 22.306 0.062 . 2 . . . A 96 VAL CG2 . 18842 1 1121 . 1 1 96 96 VAL N N 15 121.852 0.039 . 1 . . . A 96 VAL N . 18842 1 1122 . 1 1 97 97 MET H H 1 7.337 0.004 . 1 . . . A 97 MET H . 18842 1 1123 . 1 1 97 97 MET HA H 1 2.337 0.008 . 1 . . . A 97 MET HA . 18842 1 1124 . 1 1 97 97 MET HB2 H 1 1.947 0.003 . 2 . . . A 97 MET HB2 . 18842 1 1125 . 1 1 97 97 MET HB3 H 1 2.340 0.009 . 2 . . . A 97 MET HB3 . 18842 1 1126 . 1 1 97 97 MET HG2 H 1 1.624 0.006 . 1 . . . A 97 MET HG2 . 18842 1 1127 . 1 1 97 97 MET HE1 H 1 2.074 0.013 . 1 . . . A 97 MET HE1 . 18842 1 1128 . 1 1 97 97 MET HE2 H 1 2.074 0.013 . 1 . . . A 97 MET HE2 . 18842 1 1129 . 1 1 97 97 MET HE3 H 1 2.074 0.013 . 1 . . . A 97 MET HE3 . 18842 1 1130 . 1 1 97 97 MET C C 13 177.257 0.000 . 1 . . . A 97 MET C . 18842 1 1131 . 1 1 97 97 MET CE C 13 17.748 0.018 . 1 . . . A 97 MET CE . 18842 1 1132 . 1 1 97 97 MET N N 15 117.469 0.025 . 1 . . . A 97 MET N . 18842 1 1133 . 1 1 98 98 ASP H H 1 8.729 0.003 . 1 . . . A 98 ASP H . 18842 1 1134 . 1 1 98 98 ASP HA H 1 4.316 0.007 . 1 . . . A 98 ASP HA . 18842 1 1135 . 1 1 98 98 ASP HB2 H 1 2.571 0.005 . 2 . . . A 98 ASP HB2 . 18842 1 1136 . 1 1 98 98 ASP HB3 H 1 2.740 0.008 . 2 . . . A 98 ASP HB3 . 18842 1 1137 . 1 1 98 98 ASP C C 13 178.771 0.000 . 1 . . . A 98 ASP C . 18842 1 1138 . 1 1 98 98 ASP CA C 13 57.554 0.011 . 1 . . . A 98 ASP CA . 18842 1 1139 . 1 1 98 98 ASP CB C 13 39.779 0.000 . 1 . . . A 98 ASP CB . 18842 1 1140 . 1 1 98 98 ASP N N 15 118.162 0.037 . 1 . . . A 98 ASP N . 18842 1 1141 . 1 1 99 99 ASN H H 1 8.104 0.004 . 1 . . . A 99 ASN H . 18842 1 1142 . 1 1 99 99 ASN HA H 1 4.469 0.006 . 1 . . . A 99 ASN HA . 18842 1 1143 . 1 1 99 99 ASN HB2 H 1 2.784 0.006 . 2 . . . A 99 ASN HB2 . 18842 1 1144 . 1 1 99 99 ASN HB3 H 1 3.040 0.007 . 2 . . . A 99 ASN HB3 . 18842 1 1145 . 1 1 99 99 ASN HD21 H 1 6.966 0.006 . 1 . . . A 99 ASN HD21 . 18842 1 1146 . 1 1 99 99 ASN HD22 H 1 7.469 0.011 . 1 . . . A 99 ASN HD22 . 18842 1 1147 . 1 1 99 99 ASN C C 13 178.220 0.000 . 1 . . . A 99 ASN C . 18842 1 1148 . 1 1 99 99 ASN CA C 13 56.094 0.022 . 1 . . . A 99 ASN CA . 18842 1 1149 . 1 1 99 99 ASN CB C 13 38.372 0.042 . 1 . . . A 99 ASN CB . 18842 1 1150 . 1 1 99 99 ASN CG C 13 176.367 0.002 . 1 . . . A 99 ASN CG . 18842 1 1151 . 1 1 99 99 ASN N N 15 120.303 0.034 . 1 . . . A 99 ASN N . 18842 1 1152 . 1 1 99 99 ASN ND2 N 15 111.373 0.142 . 1 . . . A 99 ASN ND2 . 18842 1 1153 . 1 1 100 100 ILE H H 1 8.020 0.004 . 1 . . . A 100 ILE H . 18842 1 1154 . 1 1 100 100 ILE HA H 1 3.646 0.005 . 1 . . . A 100 ILE HA . 18842 1 1155 . 1 1 100 100 ILE HB H 1 1.909 0.009 . 1 . . . A 100 ILE HB . 18842 1 1156 . 1 1 100 100 ILE HG12 H 1 1.593 0.006 . 2 . . . A 100 ILE HG12 . 18842 1 1157 . 1 1 100 100 ILE HG13 H 1 1.299 0.021 . 2 . . . A 100 ILE HG13 . 18842 1 1158 . 1 1 100 100 ILE HG21 H 1 0.728 0.005 . 1 . . . A 100 ILE HG21 . 18842 1 1159 . 1 1 100 100 ILE HG22 H 1 0.728 0.005 . 1 . . . A 100 ILE HG22 . 18842 1 1160 . 1 1 100 100 ILE HG23 H 1 0.728 0.005 . 1 . . . A 100 ILE HG23 . 18842 1 1161 . 1 1 100 100 ILE HD11 H 1 0.541 0.007 . 1 . . . A 100 ILE HD11 . 18842 1 1162 . 1 1 100 100 ILE HD12 H 1 0.541 0.007 . 1 . . . A 100 ILE HD12 . 18842 1 1163 . 1 1 100 100 ILE HD13 H 1 0.541 0.007 . 1 . . . A 100 ILE HD13 . 18842 1 1164 . 1 1 100 100 ILE C C 13 177.361 0.000 . 1 . . . A 100 ILE C . 18842 1 1165 . 1 1 100 100 ILE CA C 13 62.746 0.032 . 1 . . . A 100 ILE CA . 18842 1 1166 . 1 1 100 100 ILE CB C 13 35.702 0.064 . 1 . . . A 100 ILE CB . 18842 1 1167 . 1 1 100 100 ILE CG1 C 13 28.464 0.033 . 1 . . . A 100 ILE CG1 . 18842 1 1168 . 1 1 100 100 ILE CG2 C 13 17.358 0.027 . 1 . . . A 100 ILE CG2 . 18842 1 1169 . 1 1 100 100 ILE CD1 C 13 9.698 0.020 . 1 . . . A 100 ILE CD1 . 18842 1 1170 . 1 1 100 100 ILE N N 15 121.160 0.048 . 1 . . . A 100 ILE N . 18842 1 1171 . 1 1 101 101 LYS H H 1 8.907 0.005 . 1 . . . A 101 LYS H . 18842 1 1172 . 1 1 101 101 LYS HA H 1 3.684 0.014 . 1 . . . A 101 LYS HA . 18842 1 1173 . 1 1 101 101 LYS HB2 H 1 2.143 0.013 . 2 . . . A 101 LYS HB2 . 18842 1 1174 . 1 1 101 101 LYS HB3 H 1 1.909 0.012 . 2 . . . A 101 LYS HB3 . 18842 1 1175 . 1 1 101 101 LYS HG3 H 1 1.365 0.000 . 1 . . . A 101 LYS HG3 . 18842 1 1176 . 1 1 101 101 LYS HD3 H 1 1.554 0.022 . 1 . . . A 101 LYS HD3 . 18842 1 1177 . 1 1 101 101 LYS HE3 H 1 2.919 0.015 . 1 . . . A 101 LYS HE3 . 18842 1 1178 . 1 1 101 101 LYS C C 13 177.127 0.000 . 1 . . . A 101 LYS C . 18842 1 1179 . 1 1 101 101 LYS CA C 13 60.160 0.028 . 1 . . . A 101 LYS CA . 18842 1 1180 . 1 1 101 101 LYS CB C 13 32.997 0.045 . 1 . . . A 101 LYS CB . 18842 1 1181 . 1 1 101 101 LYS CE C 13 41.192 0.000 . 1 . . . A 101 LYS CE . 18842 1 1182 . 1 1 101 101 LYS N N 15 120.747 0.045 . 1 . . . A 101 LYS N . 18842 1 1183 . 1 1 102 102 MET H H 1 8.002 0.004 . 1 . . . A 102 MET H . 18842 1 1184 . 1 1 102 102 MET HA H 1 4.245 0.010 . 1 . . . A 102 MET HA . 18842 1 1185 . 1 1 102 102 MET HB2 H 1 2.151 0.007 . 2 . . . A 102 MET HB2 . 18842 1 1186 . 1 1 102 102 MET HB3 H 1 2.250 0.010 . 2 . . . A 102 MET HB3 . 18842 1 1187 . 1 1 102 102 MET HG2 H 1 2.623 0.007 . 2 . . . A 102 MET HG2 . 18842 1 1188 . 1 1 102 102 MET HG3 H 1 2.746 0.011 . 2 . . . A 102 MET HG3 . 18842 1 1189 . 1 1 102 102 MET HE1 H 1 2.097 0.003 . 1 . . . A 102 MET HE1 . 18842 1 1190 . 1 1 102 102 MET HE2 H 1 2.097 0.003 . 1 . . . A 102 MET HE2 . 18842 1 1191 . 1 1 102 102 MET HE3 H 1 2.097 0.003 . 1 . . . A 102 MET HE3 . 18842 1 1192 . 1 1 102 102 MET C C 13 178.941 0.000 . 1 . . . A 102 MET C . 18842 1 1193 . 1 1 102 102 MET CA C 13 58.367 0.029 . 1 . . . A 102 MET CA . 18842 1 1194 . 1 1 102 102 MET CB C 13 32.055 0.061 . 1 . . . A 102 MET CB . 18842 1 1195 . 1 1 102 102 MET CG C 13 32.003 0.015 . 1 . . . A 102 MET CG . 18842 1 1196 . 1 1 102 102 MET CE C 13 16.869 0.092 . 1 . . . A 102 MET CE . 18842 1 1197 . 1 1 102 102 MET N N 15 116.126 0.022 . 1 . . . A 102 MET N . 18842 1 1198 . 1 1 103 103 THR H H 1 7.694 0.007 . 1 . . . A 103 THR H . 18842 1 1199 . 1 1 103 103 THR HA H 1 3.861 0.006 . 1 . . . A 103 THR HA . 18842 1 1200 . 1 1 103 103 THR HB H 1 3.989 0.005 . 1 . . . A 103 THR HB . 18842 1 1201 . 1 1 103 103 THR HG21 H 1 0.777 0.004 . 1 . . . A 103 THR HG21 . 18842 1 1202 . 1 1 103 103 THR HG22 H 1 0.777 0.004 . 1 . . . A 103 THR HG22 . 18842 1 1203 . 1 1 103 103 THR HG23 H 1 0.777 0.004 . 1 . . . A 103 THR HG23 . 18842 1 1204 . 1 1 103 103 THR C C 13 176.493 0.000 . 1 . . . A 103 THR C . 18842 1 1205 . 1 1 103 103 THR CA C 13 66.168 0.015 . 1 . . . A 103 THR CA . 18842 1 1206 . 1 1 103 103 THR CB C 13 67.923 0.026 . 1 . . . A 103 THR CB . 18842 1 1207 . 1 1 103 103 THR CG2 C 13 22.262 0.026 . 1 . . . A 103 THR CG2 . 18842 1 1208 . 1 1 103 103 THR N N 15 117.988 0.051 . 1 . . . A 103 THR N . 18842 1 1209 . 1 1 104 104 LEU H H 1 8.530 0.005 . 1 . . . A 104 LEU H . 18842 1 1210 . 1 1 104 104 LEU HA H 1 3.880 0.012 . 1 . . . A 104 LEU HA . 18842 1 1211 . 1 1 104 104 LEU HB2 H 1 2.154 0.011 . 2 . . . A 104 LEU HB2 . 18842 1 1212 . 1 1 104 104 LEU HB3 H 1 1.180 0.013 . 2 . . . A 104 LEU HB3 . 18842 1 1213 . 1 1 104 104 LEU HG H 1 1.888 0.000 . 1 . . . A 104 LEU HG . 18842 1 1214 . 1 1 104 104 LEU HD11 H 1 0.758 0.003 . 2 . . . A 104 LEU HD11 . 18842 1 1215 . 1 1 104 104 LEU HD12 H 1 0.758 0.003 . 2 . . . A 104 LEU HD12 . 18842 1 1216 . 1 1 104 104 LEU HD13 H 1 0.758 0.003 . 2 . . . A 104 LEU HD13 . 18842 1 1217 . 1 1 104 104 LEU HD21 H 1 0.823 0.004 . 2 . . . A 104 LEU HD21 . 18842 1 1218 . 1 1 104 104 LEU HD22 H 1 0.823 0.004 . 2 . . . A 104 LEU HD22 . 18842 1 1219 . 1 1 104 104 LEU HD23 H 1 0.823 0.004 . 2 . . . A 104 LEU HD23 . 18842 1 1220 . 1 1 104 104 LEU C C 13 178.072 0.000 . 1 . . . A 104 LEU C . 18842 1 1221 . 1 1 104 104 LEU CA C 13 58.046 0.013 . 1 . . . A 104 LEU CA . 18842 1 1222 . 1 1 104 104 LEU CB C 13 42.894 0.040 . 1 . . . A 104 LEU CB . 18842 1 1223 . 1 1 104 104 LEU CD1 C 13 26.993 0.041 . 2 . . . A 104 LEU CD1 . 18842 1 1224 . 1 1 104 104 LEU CD2 C 13 24.802 0.032 . 2 . . . A 104 LEU CD2 . 18842 1 1225 . 1 1 104 104 LEU N N 15 119.248 0.060 . 1 . . . A 104 LEU N . 18842 1 1226 . 1 1 105 105 GLN H H 1 8.623 0.002 . 1 . . . A 105 GLN H . 18842 1 1227 . 1 1 105 105 GLN HA H 1 3.968 0.009 . 1 . . . A 105 GLN HA . 18842 1 1228 . 1 1 105 105 GLN HB2 H 1 2.082 0.014 . 2 . . . A 105 GLN HB2 . 18842 1 1229 . 1 1 105 105 GLN HB3 H 1 2.182 0.014 . 2 . . . A 105 GLN HB3 . 18842 1 1230 . 1 1 105 105 GLN HG3 H 1 2.370 0.014 . 1 . . . A 105 GLN HG3 . 18842 1 1231 . 1 1 105 105 GLN HE21 H 1 7.392 0.001 . 1 . . . A 105 GLN HE21 . 18842 1 1232 . 1 1 105 105 GLN HE22 H 1 6.396 0.002 . 1 . . . A 105 GLN HE22 . 18842 1 1233 . 1 1 105 105 GLN C C 13 178.675 0.000 . 1 . . . A 105 GLN C . 18842 1 1234 . 1 1 105 105 GLN CA C 13 59.073 0.060 . 1 . . . A 105 GLN CA . 18842 1 1235 . 1 1 105 105 GLN CB C 13 27.968 0.088 . 1 . . . A 105 GLN CB . 18842 1 1236 . 1 1 105 105 GLN CG C 13 32.838 0.079 . 1 . . . A 105 GLN CG . 18842 1 1237 . 1 1 105 105 GLN CD C 13 178.506 0.013 . 1 . . . A 105 GLN CD . 18842 1 1238 . 1 1 105 105 GLN N N 15 119.071 0.057 . 1 . . . A 105 GLN N . 18842 1 1239 . 1 1 105 105 GLN NE2 N 15 108.447 0.171 . 1 . . . A 105 GLN NE2 . 18842 1 1240 . 1 1 106 106 GLN H H 1 7.581 0.007 . 1 . . . A 106 GLN H . 18842 1 1241 . 1 1 106 106 GLN HA H 1 4.039 0.007 . 1 . . . A 106 GLN HA . 18842 1 1242 . 1 1 106 106 GLN HB2 H 1 2.165 0.006 . 2 . . . A 106 GLN HB2 . 18842 1 1243 . 1 1 106 106 GLN HB3 H 1 2.321 0.007 . 2 . . . A 106 GLN HB3 . 18842 1 1244 . 1 1 106 106 GLN HG2 H 1 2.619 0.006 . 2 . . . A 106 GLN HG2 . 18842 1 1245 . 1 1 106 106 GLN HG3 H 1 2.419 0.007 . 2 . . . A 106 GLN HG3 . 18842 1 1246 . 1 1 106 106 GLN HE21 H 1 6.830 0.002 . 1 . . . A 106 GLN HE21 . 18842 1 1247 . 1 1 106 106 GLN HE22 H 1 7.416 0.004 . 1 . . . A 106 GLN HE22 . 18842 1 1248 . 1 1 106 106 GLN C C 13 178.677 0.000 . 1 . . . A 106 GLN C . 18842 1 1249 . 1 1 106 106 GLN CA C 13 58.715 0.010 . 1 . . . A 106 GLN CA . 18842 1 1250 . 1 1 106 106 GLN CB C 13 28.464 0.049 . 1 . . . A 106 GLN CB . 18842 1 1251 . 1 1 106 106 GLN CG C 13 34.056 0.017 . 1 . . . A 106 GLN CG . 18842 1 1252 . 1 1 106 106 GLN CD C 13 180.227 0.013 . 1 . . . A 106 GLN CD . 18842 1 1253 . 1 1 106 106 GLN N N 15 117.946 0.020 . 1 . . . A 106 GLN N . 18842 1 1254 . 1 1 106 106 GLN NE2 N 15 111.127 0.185 . 1 . . . A 106 GLN NE2 . 18842 1 1255 . 1 1 107 107 ILE H H 1 7.801 0.002 . 1 . . . A 107 ILE H . 18842 1 1256 . 1 1 107 107 ILE HA H 1 3.465 0.008 . 1 . . . A 107 ILE HA . 18842 1 1257 . 1 1 107 107 ILE HB H 1 1.689 0.014 . 1 . . . A 107 ILE HB . 18842 1 1258 . 1 1 107 107 ILE HG13 H 1 0.895 0.031 . 1 . . . A 107 ILE HG13 . 18842 1 1259 . 1 1 107 107 ILE HG21 H 1 0.824 0.014 . 1 . . . A 107 ILE HG21 . 18842 1 1260 . 1 1 107 107 ILE HG22 H 1 0.824 0.014 . 1 . . . A 107 ILE HG22 . 18842 1 1261 . 1 1 107 107 ILE HG23 H 1 0.824 0.014 . 1 . . . A 107 ILE HG23 . 18842 1 1262 . 1 1 107 107 ILE HD11 H 1 0.643 0.005 . 1 . . . A 107 ILE HD11 . 18842 1 1263 . 1 1 107 107 ILE HD12 H 1 0.643 0.005 . 1 . . . A 107 ILE HD12 . 18842 1 1264 . 1 1 107 107 ILE HD13 H 1 0.643 0.005 . 1 . . . A 107 ILE HD13 . 18842 1 1265 . 1 1 107 107 ILE C C 13 177.586 0.000 . 1 . . . A 107 ILE C . 18842 1 1266 . 1 1 107 107 ILE CA C 13 65.482 0.036 . 1 . . . A 107 ILE CA . 18842 1 1267 . 1 1 107 107 ILE CB C 13 39.139 0.008 . 1 . . . A 107 ILE CB . 18842 1 1268 . 1 1 107 107 ILE CG1 C 13 28.770 0.000 . 1 . . . A 107 ILE CG1 . 18842 1 1269 . 1 1 107 107 ILE CG2 C 13 19.100 0.022 . 1 . . . A 107 ILE CG2 . 18842 1 1270 . 1 1 107 107 ILE CD1 C 13 15.833 0.024 . 1 . . . A 107 ILE CD1 . 18842 1 1271 . 1 1 107 107 ILE N N 15 120.013 0.029 . 1 . . . A 107 ILE N . 18842 1 1272 . 1 1 108 108 ILE H H 1 8.734 0.006 . 1 . . . A 108 ILE H . 18842 1 1273 . 1 1 108 108 ILE HA H 1 3.784 0.009 . 1 . . . A 108 ILE HA . 18842 1 1274 . 1 1 108 108 ILE HB H 1 1.883 0.013 . 1 . . . A 108 ILE HB . 18842 1 1275 . 1 1 108 108 ILE HG13 H 1 1.705 0.012 . 1 . . . A 108 ILE HG13 . 18842 1 1276 . 1 1 108 108 ILE HG21 H 1 0.926 0.010 . 1 . . . A 108 ILE HG21 . 18842 1 1277 . 1 1 108 108 ILE HG22 H 1 0.926 0.010 . 1 . . . A 108 ILE HG22 . 18842 1 1278 . 1 1 108 108 ILE HG23 H 1 0.926 0.010 . 1 . . . A 108 ILE HG23 . 18842 1 1279 . 1 1 108 108 ILE HD11 H 1 0.792 0.006 . 1 . . . A 108 ILE HD11 . 18842 1 1280 . 1 1 108 108 ILE HD12 H 1 0.792 0.006 . 1 . . . A 108 ILE HD12 . 18842 1 1281 . 1 1 108 108 ILE HD13 H 1 0.792 0.006 . 1 . . . A 108 ILE HD13 . 18842 1 1282 . 1 1 108 108 ILE C C 13 179.171 0.000 . 1 . . . A 108 ILE C . 18842 1 1283 . 1 1 108 108 ILE CA C 13 65.603 0.062 . 1 . . . A 108 ILE CA . 18842 1 1284 . 1 1 108 108 ILE CB C 13 38.241 0.047 . 1 . . . A 108 ILE CB . 18842 1 1285 . 1 1 108 108 ILE CG1 C 13 29.476 0.047 . 1 . . . A 108 ILE CG1 . 18842 1 1286 . 1 1 108 108 ILE CG2 C 13 17.339 0.081 . 1 . . . A 108 ILE CG2 . 18842 1 1287 . 1 1 108 108 ILE CD1 C 13 15.697 0.101 . 1 . . . A 108 ILE CD1 . 18842 1 1288 . 1 1 108 108 ILE N N 15 117.686 0.024 . 1 . . . A 108 ILE N . 18842 1 1289 . 1 1 109 109 SER H H 1 7.881 0.003 . 1 . . . A 109 SER H . 18842 1 1290 . 1 1 109 109 SER HA H 1 4.214 0.007 . 1 . . . A 109 SER HA . 18842 1 1291 . 1 1 109 109 SER HB2 H 1 4.008 0.016 . 2 . . . A 109 SER HB2 . 18842 1 1292 . 1 1 109 109 SER HB3 H 1 4.048 0.006 . 2 . . . A 109 SER HB3 . 18842 1 1293 . 1 1 109 109 SER C C 13 176.381 0.000 . 1 . . . A 109 SER C . 18842 1 1294 . 1 1 109 109 SER CA C 13 61.564 0.034 . 1 . . . A 109 SER CA . 18842 1 1295 . 1 1 109 109 SER CB C 13 62.831 0.034 . 1 . . . A 109 SER CB . 18842 1 1296 . 1 1 109 109 SER N N 15 114.198 0.040 . 1 . . . A 109 SER N . 18842 1 1297 . 1 1 110 110 ARG H H 1 7.550 0.002 . 1 . . . A 110 ARG H . 18842 1 1298 . 1 1 110 110 ARG HA H 1 4.137 0.005 . 1 . . . A 110 ARG HA . 18842 1 1299 . 1 1 110 110 ARG HB2 H 1 1.681 0.004 . 1 . . . A 110 ARG HB2 . 18842 1 1300 . 1 1 110 110 ARG HG2 H 1 1.687 0.008 . 2 . . . A 110 ARG HG2 . 18842 1 1301 . 1 1 110 110 ARG HG3 H 1 1.552 0.003 . 2 . . . A 110 ARG HG3 . 18842 1 1302 . 1 1 110 110 ARG HD2 H 1 3.011 0.008 . 2 . . . A 110 ARG HD2 . 18842 1 1303 . 1 1 110 110 ARG HD3 H 1 3.168 0.004 . 2 . . . A 110 ARG HD3 . 18842 1 1304 . 1 1 110 110 ARG HE H 1 7.079 0.003 . 1 . . . A 110 ARG HE . 18842 1 1305 . 1 1 110 110 ARG C C 13 178.636 0.000 . 1 . . . A 110 ARG C . 18842 1 1306 . 1 1 110 110 ARG CA C 13 58.376 0.013 . 1 . . . A 110 ARG CA . 18842 1 1307 . 1 1 110 110 ARG CB C 13 29.850 0.040 . 1 . . . A 110 ARG CB . 18842 1 1308 . 1 1 110 110 ARG CG C 13 27.141 0.016 . 1 . . . A 110 ARG CG . 18842 1 1309 . 1 1 110 110 ARG CD C 13 43.894 0.065 . 1 . . . A 110 ARG CD . 18842 1 1310 . 1 1 110 110 ARG N N 15 121.010 0.021 . 1 . . . A 110 ARG N . 18842 1 1311 . 1 1 110 110 ARG NE N 15 111.131 0.018 . 1 . . . A 110 ARG NE . 18842 1 1312 . 1 1 111 111 TYR H H 1 7.496 0.003 . 1 . . . A 111 TYR H . 18842 1 1313 . 1 1 111 111 TYR HA H 1 4.795 0.009 . 1 . . . A 111 TYR HA . 18842 1 1314 . 1 1 111 111 TYR HB2 H 1 3.068 0.008 . 2 . . . A 111 TYR HB2 . 18842 1 1315 . 1 1 111 111 TYR HB3 H 1 3.417 0.008 . 2 . . . A 111 TYR HB3 . 18842 1 1316 . 1 1 111 111 TYR HD1 H 1 7.103 0.011 . 3 . . . A 111 TYR HD1 . 18842 1 1317 . 1 1 111 111 TYR HD2 H 1 7.103 0.011 . 3 . . . A 111 TYR HD2 . 18842 1 1318 . 1 1 111 111 TYR HE1 H 1 6.728 0.014 . 3 . . . A 111 TYR HE1 . 18842 1 1319 . 1 1 111 111 TYR HE2 H 1 6.728 0.014 . 3 . . . A 111 TYR HE2 . 18842 1 1320 . 1 1 111 111 TYR C C 13 176.218 0.000 . 1 . . . A 111 TYR C . 18842 1 1321 . 1 1 111 111 TYR CA C 13 57.574 0.034 . 1 . . . A 111 TYR CA . 18842 1 1322 . 1 1 111 111 TYR CB C 13 37.492 0.045 . 1 . . . A 111 TYR CB . 18842 1 1323 . 1 1 111 111 TYR CD1 C 13 131.845 0.036 . 3 . . . A 111 TYR CD1 . 18842 1 1324 . 1 1 111 111 TYR CD2 C 13 131.845 0.036 . 3 . . . A 111 TYR CD2 . 18842 1 1325 . 1 1 111 111 TYR CE1 C 13 117.719 0.000 . 3 . . . A 111 TYR CE1 . 18842 1 1326 . 1 1 111 111 TYR CE2 C 13 117.719 0.000 . 3 . . . A 111 TYR CE2 . 18842 1 1327 . 1 1 111 111 TYR N N 15 117.243 0.024 . 1 . . . A 111 TYR N . 18842 1 1328 . 1 1 112 112 LYS H H 1 7.755 0.011 . 1 . . . A 112 LYS H . 18842 1 1329 . 1 1 112 112 LYS HA H 1 4.334 0.009 . 1 . . . A 112 LYS HA . 18842 1 1330 . 1 1 112 112 LYS HB3 H 1 1.960 0.005 . 1 . . . A 112 LYS HB3 . 18842 1 1331 . 1 1 112 112 LYS HG2 H 1 1.585 0.006 . 2 . . . A 112 LYS HG2 . 18842 1 1332 . 1 1 112 112 LYS HG3 H 1 1.694 0.008 . 2 . . . A 112 LYS HG3 . 18842 1 1333 . 1 1 112 112 LYS HD3 H 1 1.816 0.004 . 1 . . . A 112 LYS HD3 . 18842 1 1334 . 1 1 112 112 LYS HE3 H 1 3.104 0.001 . 1 . . . A 112 LYS HE3 . 18842 1 1335 . 1 1 112 112 LYS C C 13 177.437 0.000 . 1 . . . A 112 LYS C . 18842 1 1336 . 1 1 112 112 LYS CA C 13 57.630 0.063 . 1 . . . A 112 LYS CA . 18842 1 1337 . 1 1 112 112 LYS CB C 13 32.590 0.000 . 1 . . . A 112 LYS CB . 18842 1 1338 . 1 1 112 112 LYS CG C 13 24.881 0.052 . 1 . . . A 112 LYS CG . 18842 1 1339 . 1 1 112 112 LYS CD C 13 29.007 0.046 . 1 . . . A 112 LYS CD . 18842 1 1340 . 1 1 112 112 LYS CE C 13 41.893 0.033 . 1 . . . A 112 LYS CE . 18842 1 1341 . 1 1 112 112 LYS N N 15 121.040 0.080 . 1 . . . A 112 LYS N . 18842 1 1342 . 1 1 113 113 ASP H H 1 8.246 0.002 . 1 . . . A 113 ASP H . 18842 1 1343 . 1 1 113 113 ASP HA H 1 4.637 0.000 . 1 . . . A 113 ASP HA . 18842 1 1344 . 1 1 113 113 ASP HB2 H 1 2.701 0.007 . 2 . . . A 113 ASP HB2 . 18842 1 1345 . 1 1 113 113 ASP HB3 H 1 2.774 0.012 . 2 . . . A 113 ASP HB3 . 18842 1 1346 . 1 1 113 113 ASP C C 13 176.587 0.000 . 1 . . . A 113 ASP C . 18842 1 1347 . 1 1 113 113 ASP CB C 13 41.093 0.053 . 1 . . . A 113 ASP CB . 18842 1 1348 . 1 1 113 113 ASP N N 15 120.593 0.022 . 1 . . . A 113 ASP N . 18842 1 1349 . 1 1 114 114 ALA H H 1 8.038 0.002 . 1 . . . A 114 ALA H . 18842 1 1350 . 1 1 114 114 ALA HA H 1 4.349 0.011 . 1 . . . A 114 ALA HA . 18842 1 1351 . 1 1 114 114 ALA HB1 H 1 1.491 0.006 . 1 . . . A 114 ALA HB1 . 18842 1 1352 . 1 1 114 114 ALA HB2 H 1 1.491 0.006 . 1 . . . A 114 ALA HB2 . 18842 1 1353 . 1 1 114 114 ALA HB3 H 1 1.491 0.006 . 1 . . . A 114 ALA HB3 . 18842 1 1354 . 1 1 114 114 ALA C C 13 178.004 0.000 . 1 . . . A 114 ALA C . 18842 1 1355 . 1 1 114 114 ALA CA C 13 52.886 0.002 . 1 . . . A 114 ALA CA . 18842 1 1356 . 1 1 114 114 ALA CB C 13 19.265 0.017 . 1 . . . A 114 ALA CB . 18842 1 1357 . 1 1 114 114 ALA N N 15 123.721 0.020 . 1 . . . A 114 ALA N . 18842 1 1358 . 1 1 115 115 ASP H H 1 8.254 0.003 . 1 . . . A 115 ASP H . 18842 1 1359 . 1 1 115 115 ASP HA H 1 4.639 0.006 . 1 . . . A 115 ASP HA . 18842 1 1360 . 1 1 115 115 ASP HB2 H 1 2.784 0.004 . 2 . . . A 115 ASP HB2 . 18842 1 1361 . 1 1 115 115 ASP HB3 H 1 2.733 0.011 . 2 . . . A 115 ASP HB3 . 18842 1 1362 . 1 1 115 115 ASP C C 13 177.129 0.000 . 1 . . . A 115 ASP C . 18842 1 1363 . 1 1 115 115 ASP CA C 13 54.806 0.000 . 1 . . . A 115 ASP CA . 18842 1 1364 . 1 1 115 115 ASP CB C 13 41.238 0.000 . 1 . . . A 115 ASP CB . 18842 1 1365 . 1 1 115 115 ASP N N 15 119.260 0.016 . 1 . . . A 115 ASP N . 18842 1 1366 . 1 1 116 116 GLY H H 1 8.261 0.002 . 1 . . . . 116 Gly H . 18842 1 1367 . 1 1 116 116 GLY HA2 H 1 3.985 0.001 . 1 . . . . 116 Gly HA2 . 18842 1 1368 . 1 1 116 116 GLY C C 13 174.403 0.000 . 1 . . . . 116 Gly C . 18842 1 1369 . 1 1 116 116 GLY N N 15 108.892 0.016 . 1 . . . . 116 Gly N . 18842 1 1370 . 1 1 117 117 ASN H H 1 8.325 0.001 . 1 . . . . 117 Asn H . 18842 1 1371 . 1 1 117 117 ASN HA H 1 4.782 0.038 . 1 . . . . 117 Asn HA . 18842 1 1372 . 1 1 117 117 ASN HB3 H 1 2.847 0.034 . 1 . . . . 117 Asn HB3 . 18842 1 1373 . 1 1 117 117 ASN HD21 H 1 7.650 0.000 . 1 . . . . 117 Asn HD21 . 18842 1 1374 . 1 1 117 117 ASN HD22 H 1 6.952 0.006 . 1 . . . . 117 Asn HD22 . 18842 1 1375 . 1 1 117 117 ASN C C 13 175.393 0.000 . 1 . . . . 117 Asn C . 18842 1 1376 . 1 1 117 117 ASN CA C 13 53.211 0.000 . 1 . . . . 117 Asn CA . 18842 1 1377 . 1 1 117 117 ASN CB C 13 39.177 0.008 . 1 . . . . 117 Asn CB . 18842 1 1378 . 1 1 117 117 ASN CG C 13 177.343 0.007 . 1 . . . . 117 Asn CG . 18842 1 1379 . 1 1 117 117 ASN N N 15 118.783 0.010 . 1 . . . . 117 Asn N . 18842 1 1380 . 1 1 117 117 ASN ND2 N 15 113.002 0.085 . 1 . . . . 117 Asn ND2 . 18842 1 1381 . 1 1 118 118 SER H H 1 8.326 0.002 . 1 . . . . 118 Ser H . 18842 1 1382 . 1 1 118 118 SER HA H 1 4.560 0.000 . 1 . . . . 118 Ser HA . 18842 1 1383 . 1 1 118 118 SER HB2 H 1 3.934 0.000 . 1 . . . . 118 Ser HB2 . 18842 1 1384 . 1 1 118 118 SER C C 13 173.822 0.000 . 1 . . . . 118 Ser C . 18842 1 1385 . 1 1 118 118 SER CA C 13 58.258 0.000 . 1 . . . . 118 Ser CA . 18842 1 1386 . 1 1 118 118 SER CB C 13 63.837 0.000 . 1 . . . . 118 Ser CB . 18842 1 1387 . 1 1 118 118 SER N N 15 116.594 0.002 . 1 . . . . 118 Ser N . 18842 1 1388 . 1 1 119 119 SER H H 1 8.020 0.002 . 1 . . . . 119 Ser H . 18842 1 1389 . 1 1 119 119 SER HA H 1 4.313 0.000 . 1 . . . . 119 Ser HA . 18842 1 1390 . 1 1 119 119 SER HB2 H 1 3.881 0.000 . 1 . . . . 119 Ser HB2 . 18842 1 1391 . 1 1 119 119 SER CA C 13 59.963 0.000 . 1 . . . . 119 Ser CA . 18842 1 1392 . 1 1 119 119 SER CB C 13 64.690 0.000 . 1 . . . . 119 Ser CB . 18842 1 1393 . 1 1 119 119 SER N N 15 123.224 0.024 . 1 . . . . 119 Ser N . 18842 1 1394 . 2 2 17 17 TYR H H 1 7.929 0.005 . 1 . . . B 90 TYR H . 18842 1 1395 . 2 2 17 17 TYR HA H 1 4.425 0.000 . 1 . . . B 90 TYR HA . 18842 1 1396 . 2 2 17 17 TYR HB2 H 1 3.023 0.000 . 2 . . . B 90 TYR HB2 . 18842 1 1397 . 2 2 17 17 TYR HB3 H 1 2.883 0.000 . 2 . . . B 90 TYR HB3 . 18842 1 1398 . 2 2 17 17 TYR HD1 H 1 7.016 0.000 . 3 . . . B 90 TYR HD1 . 18842 1 1399 . 2 2 17 17 TYR HD2 H 1 7.016 0.000 . 3 . . . B 90 TYR HD2 . 18842 1 1400 . 2 2 17 17 TYR HE1 H 1 6.714 0.000 . 3 . . . B 90 TYR HE1 . 18842 1 1401 . 2 2 17 17 TYR HE2 H 1 6.714 0.000 . 3 . . . B 90 TYR HE2 . 18842 1 1402 . 2 2 17 17 TYR C C 13 175.731 0.000 . 1 . . . B 90 TYR C . 18842 1 1403 . 2 2 17 17 TYR CA C 13 58.120 0.026 . 1 . . . B 90 TYR CA . 18842 1 1404 . 2 2 17 17 TYR CB C 13 38.465 0.018 . 1 . . . B 90 TYR CB . 18842 1 1405 . 2 2 17 17 TYR CD1 C 13 132.249 0.000 . 3 . . . B 90 TYR CD1 . 18842 1 1406 . 2 2 17 17 TYR CD2 C 13 132.249 0.000 . 3 . . . B 90 TYR CD2 . 18842 1 1407 . 2 2 17 17 TYR CE1 C 13 117.801 0.000 . 3 . . . B 90 TYR CE1 . 18842 1 1408 . 2 2 17 17 TYR CE2 C 13 117.801 0.000 . 3 . . . B 90 TYR CE2 . 18842 1 1409 . 2 2 17 17 TYR N N 15 120.385 0.008 . 1 . . . B 90 TYR N . 18842 1 1410 . 2 2 18 18 ASP H H 1 8.213 0.005 . 1 . . . B 91 ASP H . 18842 1 1411 . 2 2 18 18 ASP HA H 1 4.641 0.000 . 1 . . . B 91 ASP HA . 18842 1 1412 . 2 2 18 18 ASP HB2 H 1 2.554 0.000 . 2 . . . B 91 ASP HB2 . 18842 1 1413 . 2 2 18 18 ASP HB3 H 1 2.708 0.000 . 2 . . . B 91 ASP HB3 . 18842 1 1414 . 2 2 18 18 ASP C C 13 176.346 0.000 . 1 . . . B 91 ASP C . 18842 1 1415 . 2 2 18 18 ASP CA C 13 54.487 0.035 . 1 . . . B 91 ASP CA . 18842 1 1416 . 2 2 18 18 ASP CB C 13 41.223 0.100 . 1 . . . B 91 ASP CB . 18842 1 1417 . 2 2 18 18 ASP N N 15 120.820 0.026 . 1 . . . B 91 ASP N . 18842 1 1418 . 2 2 19 19 SER H H 1 8.009 0.005 . 1 . . . B 92 SER H . 18842 1 1419 . 2 2 19 19 SER HA H 1 4.325 0.000 . 1 . . . B 92 SER HA . 18842 1 1420 . 2 2 19 19 SER HB2 H 1 3.921 0.000 . 2 . . . B 92 SER HB2 . 18842 1 1421 . 2 2 19 19 SER HB3 H 1 3.790 0.000 . 2 . . . B 92 SER HB3 . 18842 1 1422 . 2 2 19 19 SER C C 13 174.955 0.000 . 1 . . . B 92 SER C . 18842 1 1423 . 2 2 19 19 SER CA C 13 59.054 0.033 . 1 . . . B 92 SER CA . 18842 1 1424 . 2 2 19 19 SER CB C 13 63.556 0.055 . 1 . . . B 92 SER CB . 18842 1 1425 . 2 2 19 19 SER N N 15 115.251 0.007 . 1 . . . B 92 SER N . 18842 1 1426 . 2 2 20 20 GLU H H 1 8.198 0.005 . 1 . . . B 93 GLU H . 18842 1 1427 . 2 2 20 20 GLU HA H 1 4.291 0.000 . 1 . . . B 93 GLU HA . 18842 1 1428 . 2 2 20 20 GLU HB2 H 1 1.902 0.000 . 2 . . . B 93 GLU HB2 . 18842 1 1429 . 2 2 20 20 GLU HB3 H 1 2.005 0.000 . 2 . . . B 93 GLU HB3 . 18842 1 1430 . 2 2 20 20 GLU HG2 H 1 2.191 0.000 . 2 . . . B 93 GLU HG2 . 18842 1 1431 . 2 2 20 20 GLU HG3 H 1 2.244 0.000 . 2 . . . B 93 GLU HG3 . 18842 1 1432 . 2 2 20 20 GLU C C 13 176.496 0.000 . 1 . . . B 93 GLU C . 18842 1 1433 . 2 2 20 20 GLU CA C 13 56.168 0.027 . 1 . . . B 93 GLU CA . 18842 1 1434 . 2 2 20 20 GLU CB C 13 30.059 0.066 . 1 . . . B 93 GLU CB . 18842 1 1435 . 2 2 20 20 GLU CG C 13 36.202 0.000 . 1 . . . B 93 GLU CG . 18842 1 1436 . 2 2 20 20 GLU N N 15 121.662 0.024 . 1 . . . B 93 GLU N . 18842 1 1437 . 2 2 21 21 GLU H H 1 8.216 0.005 . 1 . . . B 94 GLU H . 18842 1 1438 . 2 2 21 21 GLU HA H 1 4.268 0.000 . 1 . . . B 94 GLU HA . 18842 1 1439 . 2 2 21 21 GLU HB2 H 1 1.843 0.000 . 2 . . . B 94 GLU HB2 . 18842 1 1440 . 2 2 21 21 GLU HB3 H 1 1.737 0.000 . 2 . . . B 94 GLU HB3 . 18842 1 1441 . 2 2 21 21 GLU HG2 H 1 2.144 0.000 . 2 . . . B 94 GLU HG2 . 18842 1 1442 . 2 2 21 21 GLU HG3 H 1 2.037 0.000 . 2 . . . B 94 GLU HG3 . 18842 1 1443 . 2 2 21 21 GLU C C 13 174.905 0.000 . 1 . . . B 94 GLU C . 18842 1 1444 . 2 2 21 21 GLU CA C 13 56.512 0.072 . 1 . . . B 94 GLU CA . 18842 1 1445 . 2 2 21 21 GLU CB C 13 30.136 0.072 . 1 . . . B 94 GLU CB . 18842 1 1446 . 2 2 21 21 GLU CG C 13 36.343 0.000 . 1 . . . B 94 GLU CG . 18842 1 1447 . 2 2 21 21 GLU N N 15 121.057 0.015 . 1 . . . B 94 GLU N . 18842 1 1448 . 2 2 22 22 PHE H H 1 7.733 0.005 . 1 . . . B 95 PHE H . 18842 1 1449 . 2 2 22 22 PHE HA H 1 4.398 0.000 . 1 . . . B 95 PHE HA . 18842 1 1450 . 2 2 22 22 PHE HB2 H 1 2.626 0.000 . 2 . . . B 95 PHE HB2 . 18842 1 1451 . 2 2 22 22 PHE HB3 H 1 2.694 0.000 . 2 . . . B 95 PHE HB3 . 18842 1 1452 . 2 2 22 22 PHE HD1 H 1 6.907 0.000 . 3 . . . B 95 PHE HD1 . 18842 1 1453 . 2 2 22 22 PHE HD2 H 1 6.907 0.000 . 3 . . . B 95 PHE HD2 . 18842 1 1454 . 2 2 22 22 PHE HE1 H 1 7.011 0.000 . 3 . . . B 95 PHE HE1 . 18842 1 1455 . 2 2 22 22 PHE HE2 H 1 7.011 0.000 . 3 . . . B 95 PHE HE2 . 18842 1 1456 . 2 2 22 22 PHE HZ H 1 7.141 0.000 . 1 . . . B 95 PHE HZ . 18842 1 1457 . 2 2 22 22 PHE C C 13 175.244 0.000 . 1 . . . B 95 PHE C . 18842 1 1458 . 2 2 22 22 PHE CA C 13 58.260 0.087 . 1 . . . B 95 PHE CA . 18842 1 1459 . 2 2 22 22 PHE CB C 13 42.915 0.060 . 1 . . . B 95 PHE CB . 18842 1 1460 . 2 2 22 22 PHE CD1 C 13 130.822 0.000 . 3 . . . B 95 PHE CD1 . 18842 1 1461 . 2 2 22 22 PHE CD2 C 13 130.822 0.000 . 3 . . . B 95 PHE CD2 . 18842 1 1462 . 2 2 22 22 PHE CE1 C 13 130.482 0.000 . 3 . . . B 95 PHE CE1 . 18842 1 1463 . 2 2 22 22 PHE CE2 C 13 130.482 0.000 . 3 . . . B 95 PHE CE2 . 18842 1 1464 . 2 2 22 22 PHE CZ C 13 128.172 0.000 . 1 . . . B 95 PHE CZ . 18842 1 1465 . 2 2 22 22 PHE N N 15 117.297 0.023 . 1 . . . B 95 PHE N . 18842 1 1466 . 2 2 23 23 GLU H H 1 8.962 0.008 . 1 . . . B 96 GLU H . 18842 1 1467 . 2 2 23 23 GLU HA H 1 4.749 0.000 . 1 . . . B 96 GLU HA . 18842 1 1468 . 2 2 23 23 GLU HB3 H 1 2.031 0.000 . 1 . . . B 96 GLU HB3 . 18842 1 1469 . 2 2 23 23 GLU HG2 H 1 2.163 0.000 . 2 . . . B 96 GLU HG2 . 18842 1 1470 . 2 2 23 23 GLU HG3 H 1 2.268 0.000 . 2 . . . B 96 GLU HG3 . 18842 1 1471 . 2 2 23 23 GLU C C 13 175.769 0.000 . 1 . . . B 96 GLU C . 18842 1 1472 . 2 2 23 23 GLU CA C 13 53.648 0.048 . 1 . . . B 96 GLU CA . 18842 1 1473 . 2 2 23 23 GLU CB C 13 32.696 0.065 . 1 . . . B 96 GLU CB . 18842 1 1474 . 2 2 23 23 GLU CG C 13 35.444 0.015 . 1 . . . B 96 GLU CG . 18842 1 1475 . 2 2 23 23 GLU N N 15 119.476 0.054 . 1 . . . B 96 GLU N . 18842 1 1476 . 2 2 24 24 ASP H H 1 8.887 0.005 . 1 . . . B 97 ASP H . 18842 1 1477 . 2 2 24 24 ASP HA H 1 4.736 0.014 . 1 . . . B 97 ASP HA . 18842 1 1478 . 2 2 24 24 ASP HB2 H 1 2.579 0.014 . 2 . . . B 97 ASP HB2 . 18842 1 1479 . 2 2 24 24 ASP HB3 H 1 2.716 0.015 . 2 . . . B 97 ASP HB3 . 18842 1 1480 . 2 2 24 24 ASP C C 13 176.527 0.000 . 1 . . . B 97 ASP C . 18842 1 1481 . 2 2 24 24 ASP CA C 13 55.523 0.066 . 1 . . . B 97 ASP CA . 18842 1 1482 . 2 2 24 24 ASP CB C 13 40.399 0.098 . 1 . . . B 97 ASP CB . 18842 1 1483 . 2 2 24 24 ASP N N 15 123.588 0.033 . 1 . . . B 97 ASP N . 18842 1 1484 . 2 2 25 25 VAL H H 1 8.583 0.013 . 1 . . . B 98 VAL H . 18842 1 1485 . 2 2 25 25 VAL HA H 1 4.276 0.000 . 1 . . . B 98 VAL HA . 18842 1 1486 . 2 2 25 25 VAL HB H 1 2.015 0.000 . 1 . . . B 98 VAL HB . 18842 1 1487 . 2 2 25 25 VAL HG11 H 1 0.896 0.000 . 2 . . . B 98 VAL HG11 . 18842 1 1488 . 2 2 25 25 VAL HG12 H 1 0.896 0.000 . 2 . . . B 98 VAL HG12 . 18842 1 1489 . 2 2 25 25 VAL HG13 H 1 0.896 0.000 . 2 . . . B 98 VAL HG13 . 18842 1 1490 . 2 2 25 25 VAL HG21 H 1 0.842 0.000 . 2 . . . B 98 VAL HG21 . 18842 1 1491 . 2 2 25 25 VAL HG22 H 1 0.842 0.000 . 2 . . . B 98 VAL HG22 . 18842 1 1492 . 2 2 25 25 VAL HG23 H 1 0.842 0.000 . 2 . . . B 98 VAL HG23 . 18842 1 1493 . 2 2 25 25 VAL C C 13 175.878 0.000 . 1 . . . B 98 VAL C . 18842 1 1494 . 2 2 25 25 VAL CA C 13 62.119 0.073 . 1 . . . B 98 VAL CA . 18842 1 1495 . 2 2 25 25 VAL CB C 13 31.604 0.084 . 1 . . . B 98 VAL CB . 18842 1 1496 . 2 2 25 25 VAL CG1 C 13 21.630 0.069 . 2 . . . B 98 VAL CG1 . 18842 1 1497 . 2 2 25 25 VAL CG2 C 13 21.723 0.162 . 2 . . . B 98 VAL CG2 . 18842 1 1498 . 2 2 25 25 VAL N N 15 123.375 0.049 . 1 . . . B 98 VAL N . 18842 1 1499 . 2 2 26 26 THR H H 1 8.296 0.005 . 1 . . . B 99 THR H . 18842 1 1500 . 2 2 26 26 THR HA H 1 4.393 0.000 . 1 . . . B 99 THR HA . 18842 1 1501 . 2 2 26 26 THR HB H 1 4.302 0.000 . 1 . . . B 99 THR HB . 18842 1 1502 . 2 2 26 26 THR HG21 H 1 1.187 0.000 . 1 . . . B 99 THR HG21 . 18842 1 1503 . 2 2 26 26 THR HG22 H 1 1.187 0.000 . 1 . . . B 99 THR HG22 . 18842 1 1504 . 2 2 26 26 THR HG23 H 1 1.187 0.000 . 1 . . . B 99 THR HG23 . 18842 1 1505 . 2 2 26 26 THR C C 13 173.948 0.000 . 1 . . . B 99 THR C . 18842 1 1506 . 2 2 26 26 THR CA C 13 61.672 0.067 . 1 . . . B 99 THR CA . 18842 1 1507 . 2 2 26 26 THR CB C 13 70.234 0.071 . 1 . . . B 99 THR CB . 18842 1 1508 . 2 2 26 26 THR CG2 C 13 21.633 0.048 . 1 . . . B 99 THR CG2 . 18842 1 1509 . 2 2 26 26 THR N N 15 118.694 0.011 . 1 . . . B 99 THR N . 18842 1 1510 . 2 2 27 27 ASP H H 1 8.308 0.005 . 1 . . . B 100 ASP H . 18842 1 1511 . 2 2 27 27 ASP HA H 1 4.601 0.000 . 1 . . . B 100 ASP HA . 18842 1 1512 . 2 2 27 27 ASP HB2 H 1 2.705 0.000 . 2 . . . B 100 ASP HB2 . 18842 1 1513 . 2 2 27 27 ASP HB3 H 1 2.606 0.000 . 2 . . . B 100 ASP HB3 . 18842 1 1514 . 2 2 27 27 ASP C C 13 176.747 0.000 . 1 . . . B 100 ASP C . 18842 1 1515 . 2 2 27 27 ASP CA C 13 54.386 0.016 . 1 . . . B 100 ASP CA . 18842 1 1516 . 2 2 27 27 ASP CB C 13 41.433 0.023 . 1 . . . B 100 ASP CB . 18842 1 1517 . 2 2 27 27 ASP N N 15 119.986 0.019 . 1 . . . B 100 ASP N . 18842 1 1518 . 2 2 28 28 GLY H H 1 8.342 0.005 . 1 . . . B 101 GLY H . 18842 1 1519 . 2 2 28 28 GLY HA2 H 1 3.877 0.000 . 1 . . . B 101 GLY HA2 . 18842 1 1520 . 2 2 28 28 GLY C C 13 174.009 0.000 . 1 . . . B 101 GLY C . 18842 1 1521 . 2 2 28 28 GLY CA C 13 45.273 0.176 . 1 . . . B 101 GLY CA . 18842 1 1522 . 2 2 28 28 GLY N N 15 109.026 0.011 . 1 . . . B 101 GLY N . 18842 1 1523 . 2 2 29 29 ASN H H 1 8.337 0.005 . 1 . . . B 102 ASN H . 18842 1 1524 . 2 2 29 29 ASN HA H 1 4.692 0.000 . 1 . . . B 102 ASN HA . 18842 1 1525 . 2 2 29 29 ASN HB2 H 1 2.782 0.000 . 2 . . . B 102 ASN HB2 . 18842 1 1526 . 2 2 29 29 ASN HB3 H 1 2.727 0.000 . 2 . . . B 102 ASN HB3 . 18842 1 1527 . 2 2 29 29 ASN HD21 H 1 7.550 0.007 . 1 . . . B 102 ASN HD21 . 18842 1 1528 . 2 2 29 29 ASN HD22 H 1 6.867 0.004 . 1 . . . B 102 ASN HD22 . 18842 1 1529 . 2 2 29 29 ASN C C 13 175.182 0.000 . 1 . . . B 102 ASN C . 18842 1 1530 . 2 2 29 29 ASN CA C 13 53.204 0.031 . 1 . . . B 102 ASN CA . 18842 1 1531 . 2 2 29 29 ASN CB C 13 39.043 0.041 . 1 . . . B 102 ASN CB . 18842 1 1532 . 2 2 29 29 ASN N N 15 118.494 0.007 . 1 . . . B 102 ASN N . 18842 1 1533 . 2 2 29 29 ASN ND2 N 15 112.481 0.056 . 1 . . . B 102 ASN ND2 . 18842 1 1534 . 2 2 30 30 GLU H H 1 8.486 0.005 . 1 . . . B 103 GLU H . 18842 1 1535 . 2 2 30 30 GLU HA H 1 4.273 0.000 . 1 . . . B 103 GLU HA . 18842 1 1536 . 2 2 30 30 GLU HB2 H 1 1.911 0.000 . 2 . . . B 103 GLU HB2 . 18842 1 1537 . 2 2 30 30 GLU HB3 H 1 2.018 0.000 . 2 . . . B 103 GLU HB3 . 18842 1 1538 . 2 2 30 30 GLU HG2 H 1 2.216 0.000 . 1 . . . B 103 GLU HG2 . 18842 1 1539 . 2 2 30 30 GLU C C 13 176.360 0.000 . 1 . . . B 103 GLU C . 18842 1 1540 . 2 2 30 30 GLU CA C 13 56.736 0.008 . 1 . . . B 103 GLU CA . 18842 1 1541 . 2 2 30 30 GLU CB C 13 29.995 0.095 . 1 . . . B 103 GLU CB . 18842 1 1542 . 2 2 30 30 GLU CG C 13 36.148 0.000 . 1 . . . B 103 GLU CG . 18842 1 1543 . 2 2 30 30 GLU N N 15 121.383 0.011 . 1 . . . B 103 GLU N . 18842 1 1544 . 2 2 31 31 VAL H H 1 8.124 0.005 . 1 . . . B 104 VAL H . 18842 1 1545 . 2 2 31 31 VAL HA H 1 4.082 0.000 . 1 . . . B 104 VAL HA . 18842 1 1546 . 2 2 31 31 VAL HB H 1 2.053 0.000 . 1 . . . B 104 VAL HB . 18842 1 1547 . 2 2 31 31 VAL HG11 H 1 0.902 0.000 . 2 . . . B 104 VAL HG11 . 18842 1 1548 . 2 2 31 31 VAL HG12 H 1 0.902 0.000 . 2 . . . B 104 VAL HG12 . 18842 1 1549 . 2 2 31 31 VAL HG13 H 1 0.902 0.000 . 2 . . . B 104 VAL HG13 . 18842 1 1550 . 2 2 31 31 VAL HG21 H 1 0.901 0.000 . 2 . . . B 104 VAL HG21 . 18842 1 1551 . 2 2 31 31 VAL HG22 H 1 0.901 0.000 . 2 . . . B 104 VAL HG22 . 18842 1 1552 . 2 2 31 31 VAL HG23 H 1 0.901 0.000 . 2 . . . B 104 VAL HG23 . 18842 1 1553 . 2 2 31 31 VAL C C 13 175.706 0.000 . 1 . . . B 104 VAL C . 18842 1 1554 . 2 2 31 31 VAL CA C 13 61.924 0.035 . 1 . . . B 104 VAL CA . 18842 1 1555 . 2 2 31 31 VAL CB C 13 32.747 0.040 . 1 . . . B 104 VAL CB . 18842 1 1556 . 2 2 31 31 VAL CG1 C 13 21.264 0.000 . 2 . . . B 104 VAL CG1 . 18842 1 1557 . 2 2 31 31 VAL CG2 C 13 20.392 0.103 . 2 . . . B 104 VAL CG2 . 18842 1 1558 . 2 2 31 31 VAL N N 15 121.271 0.010 . 1 . . . B 104 VAL N . 18842 1 stop_ save_