data_18229 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18229 _Entry.Title ; NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and Rad2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-27 _Entry.Accession_date 2012-01-27 _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 . . . 18229 2 Pascale Legault . . . 18229 3 'James G.' Omichinski . . . 18229 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' . 18229 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Rad2 . 18229 Tfb1 . 18229 TFIIH . 18229 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18229 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 690 18229 '15N chemical shifts' 173 18229 '1H chemical shifts' 1092 18229 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 . . 2013-02-12 2012-01-27 update BMRB 'update entry citation' 18229 1 . . 2012-03-02 2012-01-27 original author 'original release' 18229 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6225 . 18229 PDB 1Y5O . 18229 PDB 2GS0 . 18229 PDB 2K2U . 18229 PDB 2L2I . 18229 PDB 2LOX 'BMRB Entry Tracking System' 18229 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18229 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22373916 _Citation.Full_citation . _Citation.Title 'Structural and functional characterization of interactions involving the Tfb1 subunit of TFIIH and the NER factor Rad2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 40 _Citation.Journal_issue 12 _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 5739 _Citation.Page_last 5750 _Citation.Year 2012 _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 . . . 18229 1 2 Genevieve Arseneault . . . 18229 1 3 Laurent Cappadocia . . . 18229 1 4 Hung-Ta Chen . . . 18229 1 5 Pascale Legault . . . 18229 1 6 James Omichinski . G. . 18229 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18229 _Assembly.ID 1 _Assembly.Name 'complex between the PH domain of the Tfb1 subunit from TFIIH and Rad2' _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 . . . 18229 1 2 Rad2 2 $Rad2 B . yes native no no . . . 18229 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tfb1 _Entity.Sf_category entity _Entity.Sf_framecode Tfb1 _Entity.Entry_ID 18229 _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 . _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 18842 . Tfb1 . . . . . 100.00 119 100.00 100.00 7.33e-81 . . . . 18229 1 2 no BMRB 19791 . Tfb1 . . . . . 96.64 115 100.00 100.00 6.98e-78 . . . . 18229 1 3 no BMRB 25540 . RNA_polymerase_II_transcription_factor_B_subunit_1 . . . . . 96.64 115 100.00 100.00 6.98e-78 . . . . 18229 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 . . . . 18229 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 . . . . 18229 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 . . . . 18229 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 . . . . 18229 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 . . . . 18229 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 . . . . 18229 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 . . . . 18229 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 . . . . 18229 1 12 no DBJ GAA22531 . "K7_Tfb1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18229 1 13 no EMBL CAY78811 . "Tfb1p [Saccharomyces cerevisiae EC1118]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18229 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 . . . . 18229 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 . . . . 18229 1 16 no GB AAU09707 . "YDR311W [Saccharomyces cerevisiae]" . . . . . 95.80 642 100.00 100.00 1.62e-71 . . . . 18229 1 17 no GB AHY75284 . "Tfb1p [Saccharomyces cerevisiae YJM993]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18229 1 18 no GB AJP38011 . "Tfb1p [Saccharomyces cerevisiae YJM1078]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18229 1 19 no REF NP_010597 . "TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18229 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 . . . . 18229 1 21 no TPG DAA12150 . "TPA: TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 95.80 642 100.00 100.00 1.85e-71 . . . . 18229 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 . 18229 1 2 . SER . 18229 1 3 . HIS . 18229 1 4 . SER . 18229 1 5 . GLY . 18229 1 6 . ALA . 18229 1 7 . ALA . 18229 1 8 . ILE . 18229 1 9 . PHE . 18229 1 10 . GLU . 18229 1 11 . LYS . 18229 1 12 . VAL . 18229 1 13 . SER . 18229 1 14 . GLY . 18229 1 15 . ILE . 18229 1 16 . ILE . 18229 1 17 . ALA . 18229 1 18 . ILE . 18229 1 19 . ASN . 18229 1 20 . GLU . 18229 1 21 . ASP . 18229 1 22 . VAL . 18229 1 23 . SER . 18229 1 24 . PRO . 18229 1 25 . ALA . 18229 1 26 . GLU . 18229 1 27 . LEU . 18229 1 28 . THR . 18229 1 29 . TRP . 18229 1 30 . ARG . 18229 1 31 . SER . 18229 1 32 . THR . 18229 1 33 . ASP . 18229 1 34 . GLY . 18229 1 35 . ASP . 18229 1 36 . LYS . 18229 1 37 . VAL . 18229 1 38 . HIS . 18229 1 39 . THR . 18229 1 40 . VAL . 18229 1 41 . VAL . 18229 1 42 . LEU . 18229 1 43 . SER . 18229 1 44 . THR . 18229 1 45 . ILE . 18229 1 46 . ASP . 18229 1 47 . LYS . 18229 1 48 . LEU . 18229 1 49 . GLN . 18229 1 50 . ALA . 18229 1 51 . THR . 18229 1 52 . PRO . 18229 1 53 . ALA . 18229 1 54 . SER . 18229 1 55 . SER . 18229 1 56 . GLU . 18229 1 57 . LYS . 18229 1 58 . MET . 18229 1 59 . MET . 18229 1 60 . LEU . 18229 1 61 . ARG . 18229 1 62 . LEU . 18229 1 63 . ILE . 18229 1 64 . GLY . 18229 1 65 . LYS . 18229 1 66 . VAL . 18229 1 67 . ASP . 18229 1 68 . GLU . 18229 1 69 . SER . 18229 1 70 . LYS . 18229 1 71 . LYS . 18229 1 72 . ARG . 18229 1 73 . LYS . 18229 1 74 . ASP . 18229 1 75 . ASN . 18229 1 76 . GLU . 18229 1 77 . GLY . 18229 1 78 . ASN . 18229 1 79 . GLU . 18229 1 80 . VAL . 18229 1 81 . VAL . 18229 1 82 . PRO . 18229 1 83 . LYS . 18229 1 84 . PRO . 18229 1 85 . GLN . 18229 1 86 . ARG . 18229 1 87 . HIS . 18229 1 88 . MET . 18229 1 89 . PHE . 18229 1 90 . SER . 18229 1 91 . PHE . 18229 1 92 . ASN . 18229 1 93 . ASN . 18229 1 94 . ARG . 18229 1 95 . THR . 18229 1 96 . VAL . 18229 1 97 . MET . 18229 1 98 . ASP . 18229 1 99 . ASN . 18229 1 100 . ILE . 18229 1 101 . LYS . 18229 1 102 . MET . 18229 1 103 . THR . 18229 1 104 . LEU . 18229 1 105 . GLN . 18229 1 106 . GLN . 18229 1 107 . ILE . 18229 1 108 . ILE . 18229 1 109 . SER . 18229 1 110 . ARG . 18229 1 111 . TYR . 18229 1 112 . LYS . 18229 1 113 . ASP . 18229 1 114 . ALA . 18229 1 115 . ASP . 18229 1 116 . GLY . 18229 1 117 . ASN . 18229 1 118 . SER . 18229 1 119 . SER . 18229 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 18229 1 . SER 2 2 18229 1 . HIS 3 3 18229 1 . SER 4 4 18229 1 . GLY 5 5 18229 1 . ALA 6 6 18229 1 . ALA 7 7 18229 1 . ILE 8 8 18229 1 . PHE 9 9 18229 1 . GLU 10 10 18229 1 . LYS 11 11 18229 1 . VAL 12 12 18229 1 . SER 13 13 18229 1 . GLY 14 14 18229 1 . ILE 15 15 18229 1 . ILE 16 16 18229 1 . ALA 17 17 18229 1 . ILE 18 18 18229 1 . ASN 19 19 18229 1 . GLU 20 20 18229 1 . ASP 21 21 18229 1 . VAL 22 22 18229 1 . SER 23 23 18229 1 . PRO 24 24 18229 1 . ALA 25 25 18229 1 . GLU 26 26 18229 1 . LEU 27 27 18229 1 . THR 28 28 18229 1 . TRP 29 29 18229 1 . ARG 30 30 18229 1 . SER 31 31 18229 1 . THR 32 32 18229 1 . ASP 33 33 18229 1 . GLY 34 34 18229 1 . ASP 35 35 18229 1 . LYS 36 36 18229 1 . VAL 37 37 18229 1 . HIS 38 38 18229 1 . THR 39 39 18229 1 . VAL 40 40 18229 1 . VAL 41 41 18229 1 . LEU 42 42 18229 1 . SER 43 43 18229 1 . THR 44 44 18229 1 . ILE 45 45 18229 1 . ASP 46 46 18229 1 . LYS 47 47 18229 1 . LEU 48 48 18229 1 . GLN 49 49 18229 1 . ALA 50 50 18229 1 . THR 51 51 18229 1 . PRO 52 52 18229 1 . ALA 53 53 18229 1 . SER 54 54 18229 1 . SER 55 55 18229 1 . GLU 56 56 18229 1 . LYS 57 57 18229 1 . MET 58 58 18229 1 . MET 59 59 18229 1 . LEU 60 60 18229 1 . ARG 61 61 18229 1 . LEU 62 62 18229 1 . ILE 63 63 18229 1 . GLY 64 64 18229 1 . LYS 65 65 18229 1 . VAL 66 66 18229 1 . ASP 67 67 18229 1 . GLU 68 68 18229 1 . SER 69 69 18229 1 . LYS 70 70 18229 1 . LYS 71 71 18229 1 . ARG 72 72 18229 1 . LYS 73 73 18229 1 . ASP 74 74 18229 1 . ASN 75 75 18229 1 . GLU 76 76 18229 1 . GLY 77 77 18229 1 . ASN 78 78 18229 1 . GLU 79 79 18229 1 . VAL 80 80 18229 1 . VAL 81 81 18229 1 . PRO 82 82 18229 1 . LYS 83 83 18229 1 . PRO 84 84 18229 1 . GLN 85 85 18229 1 . ARG 86 86 18229 1 . HIS 87 87 18229 1 . MET 88 88 18229 1 . PHE 89 89 18229 1 . SER 90 90 18229 1 . PHE 91 91 18229 1 . ASN 92 92 18229 1 . ASN 93 93 18229 1 . ARG 94 94 18229 1 . THR 95 95 18229 1 . VAL 96 96 18229 1 . MET 97 97 18229 1 . ASP 98 98 18229 1 . ASN 99 99 18229 1 . ILE 100 100 18229 1 . LYS 101 101 18229 1 . MET 102 102 18229 1 . THR 103 103 18229 1 . LEU 104 104 18229 1 . GLN 105 105 18229 1 . GLN 106 106 18229 1 . ILE 107 107 18229 1 . ILE 108 108 18229 1 . SER 109 109 18229 1 . ARG 110 110 18229 1 . TYR 111 111 18229 1 . LYS 112 112 18229 1 . ASP 113 113 18229 1 . ALA 114 114 18229 1 . ASP 115 115 18229 1 . GLY 116 116 18229 1 . ASN 117 117 18229 1 . SER 118 118 18229 1 . SER 119 119 18229 1 stop_ save_ save_Rad2 _Entity.Sf_category entity _Entity.Sf_framecode Rad2 _Entity.Entry_ID 18229 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Rad2 _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 ; GSEILERESEKESSNDENKD DDLEVLSEELFEDVPTKSQI SKEAEDNDSRKY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2279.496 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2013-12-02 loop_ _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 no PDB 2LOX . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad2" . . . . . 100.00 52 100.00 100.00 4.57e-25 . . . . 18229 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 1 640 GLY . 18229 2 2 641 SER . 18229 2 3 642 GLU . 18229 2 4 643 ILE . 18229 2 5 644 LEU . 18229 2 6 645 GLU . 18229 2 7 646 ARG . 18229 2 8 647 GLU . 18229 2 9 648 SER . 18229 2 10 649 GLU . 18229 2 11 650 LYS . 18229 2 12 651 GLU . 18229 2 13 652 SER . 18229 2 14 653 SER . 18229 2 15 654 ASN . 18229 2 16 655 ASP . 18229 2 17 656 GLU . 18229 2 18 657 ASN . 18229 2 19 658 LYS . 18229 2 20 659 ASP . 18229 2 21 660 ASP . 18229 2 22 661 ASP . 18229 2 23 662 LEU . 18229 2 24 663 GLU . 18229 2 25 664 VAL . 18229 2 26 665 LEU . 18229 2 27 666 SER . 18229 2 28 667 GLU . 18229 2 29 668 GLU . 18229 2 30 669 LEU . 18229 2 31 670 PHE . 18229 2 32 671 GLU . 18229 2 33 672 ASP . 18229 2 34 673 VAL . 18229 2 35 674 PRO . 18229 2 36 675 THR . 18229 2 37 676 LYS . 18229 2 38 677 SER . 18229 2 39 678 GLN . 18229 2 40 679 ILE . 18229 2 41 680 SER . 18229 2 42 681 LYS . 18229 2 43 682 GLU . 18229 2 44 683 ALA . 18229 2 45 684 GLU . 18229 2 46 685 ASP . 18229 2 47 686 ASN . 18229 2 48 687 ASP . 18229 2 49 688 SER . 18229 2 50 689 ARG . 18229 2 51 690 LYS . 18229 2 52 691 TYR . 18229 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 18229 2 . SER 2 2 18229 2 . GLU 3 3 18229 2 . ILE 4 4 18229 2 . LEU 5 5 18229 2 . GLU 6 6 18229 2 . ARG 7 7 18229 2 . GLU 8 8 18229 2 . SER 9 9 18229 2 . GLU 10 10 18229 2 . LYS 11 11 18229 2 . GLU 12 12 18229 2 . SER 13 13 18229 2 . SER 14 14 18229 2 . ASN 15 15 18229 2 . ASP 16 16 18229 2 . GLU 17 17 18229 2 . ASN 18 18 18229 2 . LYS 19 19 18229 2 . ASP 20 20 18229 2 . ASP 21 21 18229 2 . ASP 22 22 18229 2 . LEU 23 23 18229 2 . GLU 24 24 18229 2 . VAL 25 25 18229 2 . LEU 26 26 18229 2 . SER 27 27 18229 2 . GLU 28 28 18229 2 . GLU 29 29 18229 2 . LEU 30 30 18229 2 . PHE 31 31 18229 2 . GLU 32 32 18229 2 . ASP 33 33 18229 2 . VAL 34 34 18229 2 . PRO 35 35 18229 2 . THR 36 36 18229 2 . LYS 37 37 18229 2 . SER 38 38 18229 2 . GLN 39 39 18229 2 . ILE 40 40 18229 2 . SER 41 41 18229 2 . LYS 42 42 18229 2 . GLU 43 43 18229 2 . ALA 44 44 18229 2 . GLU 45 45 18229 2 . ASP 46 46 18229 2 . ASN 47 47 18229 2 . ASP 48 48 18229 2 . SER 49 49 18229 2 . ARG 50 50 18229 2 . LYS 51 51 18229 2 . TYR 52 52 18229 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 18229 _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 . . . . . . . . . . . . . . . . TFB1 . . . . 18229 1 2 2 $Rad2 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . RAD2 . . . . 18229 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 18229 _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' . . . Escherichia coli Topp2 . . . . . . . . . . . . . . . pGEX-2TK . . . . . . 18229 1 2 2 $Rad2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Topp2 . . . . . . . . . . . . . . . pGEX-2TK . . . . . . 18229 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18229 _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 . . . . 18229 1 2 Rad2 'natural abundance' . . 2 $Rad2 . . 1.25 . . mM . . . . 18229 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18229 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18229 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18229 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18229 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18229 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18229 _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 . . . . 18229 2 2 Rad2 'natural abundance' . . 2 $Rad2 . . 1.25 . . mM . . . . 18229 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18229 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18229 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18229 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18229 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18229 _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 . . . . 18229 3 2 Rad2 'natural abundance' . . 2 $Rad2 . . 1.25 . . mM . . . . 18229 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18229 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18229 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18229 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18229 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18229 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18229 _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 . . . . 18229 4 2 Rad2 '[U-100% 13C; U-100% 15N]' . . 2 $Rad2 . . 1 . . mM . . . . 18229 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18229 4 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18229 4 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18229 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18229 4 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18229 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 18229 _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 . . . . 18229 5 2 Rad2 '[U-100% 13C; U-100% 15N]' . . 2 $Rad2 . . 1 . . mM . . . . 18229 5 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18229 5 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18229 5 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18229 5 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18229 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 18229 _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 . . . . 18229 6 2 Rad2 '[U-100% 15N]' . . 2 $Rad2 . . 1 . . mM . . . . 18229 6 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18229 6 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18229 6 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18229 6 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18229 6 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18229 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 18229 _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 pH 6.5 . pH 18229 1 pressure 1 . atm 18229 1 temperature 300 . K 18229 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 18229 _Software.ID 1 _Software.Name CcpNMR _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18229 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18229 1 'data analysis' 18229 1 'peak picking' 18229 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18229 _Software.ID 2 _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' . . 18229 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18229 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18229 _Software.ID 3 _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' . . 18229 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18229 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18229 _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' . . 18229 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18229 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18229 _Software.ID 5 _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' . . 18229 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18229 5 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18229 _Software.ID 6 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18229 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18229 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18229 _Software.ID 7 _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' . . 18229 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18229 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18229 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18229 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18229 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 18229 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18229 _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 18229 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18229 _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 . 800 . . . 18229 1 2 spectrometer_2 Varian INOVA . 600 . . . 18229 1 3 spectrometer_3 Varian INOVA . 500 . . . 18229 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 18229 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18229 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18229 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18229 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18229 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18229 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18229 1 7 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18229 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18229 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18229 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18229 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18229 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18229 1 13 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18229 1 14 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18229 1 15 '3D H(CCO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18229 1 16 '3D HCCH-COSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18229 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18229 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18229 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 18229 _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 . . . . . . . . . 18229 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18229 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18229 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 18229 _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 8 '3D 1H-15N NOESY' . . . 18229 1 9 '3D 1H-13C NOESY' . . . 18229 1 10 '2D 1H-15N HSQC' . . . 18229 1 18 '3D 1H-13C NOESY' . . . 18229 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 4.535 0.001 . 1 . . . A 1 PRO HA . 18229 1 2 . 1 1 1 1 PRO HB2 H 1 1.919 0.002 . 2 . . . A 1 PRO HB2 . 18229 1 3 . 1 1 1 1 PRO HB3 H 1 2.335 0.003 . 2 . . . A 1 PRO HB3 . 18229 1 4 . 1 1 1 1 PRO HG2 H 1 2.063 0.013 . 2 . . . A 1 PRO HG2 . 18229 1 5 . 1 1 1 1 PRO HG3 H 1 2.023 0.012 . 2 . . . A 1 PRO HG3 . 18229 1 6 . 1 1 1 1 PRO HD2 H 1 3.780 0.002 . 2 . . . A 1 PRO HD2 . 18229 1 7 . 1 1 1 1 PRO HD3 H 1 3.876 0.002 . 2 . . . A 1 PRO HD3 . 18229 1 8 . 1 1 1 1 PRO C C 13 176.914 . . 1 . . . A 1 PRO C . 18229 1 9 . 1 1 1 1 PRO CA C 13 63.706 0.042 . 1 . . . A 1 PRO CA . 18229 1 10 . 1 1 1 1 PRO CB C 13 32.167 0.046 . 1 . . . A 1 PRO CB . 18229 1 11 . 1 1 1 1 PRO CG C 13 27.533 0.053 . 1 . . . A 1 PRO CG . 18229 1 12 . 1 1 1 1 PRO CD C 13 50.909 0.043 . 1 . . . A 1 PRO CD . 18229 1 13 . 1 1 2 2 SER H H 1 8.061 . . 1 . . . A 2 SER H . 18229 1 14 . 1 1 2 2 SER HA H 1 4.418 0.002 . 1 . . . A 2 SER HA . 18229 1 15 . 1 1 2 2 SER HB2 H 1 3.823 0.005 . 2 . . . A 2 SER HB2 . 18229 1 16 . 1 1 2 2 SER HB3 H 1 3.876 0.005 . 2 . . . A 2 SER HB3 . 18229 1 17 . 1 1 2 2 SER C C 13 174.994 . . 1 . . . A 2 SER C . 18229 1 18 . 1 1 2 2 SER CA C 13 58.540 0.029 . 1 . . . A 2 SER CA . 18229 1 19 . 1 1 2 2 SER CB C 13 63.748 0.054 . 1 . . . A 2 SER CB . 18229 1 20 . 1 1 2 2 SER N N 15 113.055 . . 1 . . . A 2 SER N . 18229 1 21 . 1 1 3 3 HIS H H 1 8.410 . . 1 . . . A 3 HIS H . 18229 1 22 . 1 1 3 3 HIS HA H 1 4.735 0.002 . 1 . . . A 3 HIS HA . 18229 1 23 . 1 1 3 3 HIS HB2 H 1 3.597 0.005 . 2 . . . A 3 HIS HB2 . 18229 1 24 . 1 1 3 3 HIS HB3 H 1 3.174 0.005 . 2 . . . A 3 HIS HB3 . 18229 1 25 . 1 1 3 3 HIS HD2 H 1 7.278 0.004 . 1 . . . A 3 HIS HD2 . 18229 1 26 . 1 1 3 3 HIS C C 13 173.417 . . 1 . . . A 3 HIS C . 18229 1 27 . 1 1 3 3 HIS CA C 13 55.304 0.027 . 1 . . . A 3 HIS CA . 18229 1 28 . 1 1 3 3 HIS CB C 13 29.547 0.032 . 1 . . . A 3 HIS CB . 18229 1 29 . 1 1 3 3 HIS N N 15 119.062 . . 1 . . . A 3 HIS N . 18229 1 30 . 1 1 4 4 SER H H 1 7.817 . . 1 . . . A 4 SER H . 18229 1 31 . 1 1 4 4 SER HA H 1 5.516 0.001 . 1 . . . A 4 SER HA . 18229 1 32 . 1 1 4 4 SER HB2 H 1 3.897 0.002 . 2 . . . A 4 SER HB2 . 18229 1 33 . 1 1 4 4 SER HB3 H 1 3.843 0.003 . 2 . . . A 4 SER HB3 . 18229 1 34 . 1 1 4 4 SER C C 13 173.602 . . 1 . . . A 4 SER C . 18229 1 35 . 1 1 4 4 SER CA C 13 57.005 0.009 . 1 . . . A 4 SER CA . 18229 1 36 . 1 1 4 4 SER CB C 13 65.989 0.038 . 1 . . . A 4 SER CB . 18229 1 37 . 1 1 4 4 SER N N 15 113.520 . . 1 . . . A 4 SER N . 18229 1 38 . 1 1 5 5 GLY H H 1 8.356 . . 1 . . . A 5 GLY H . 18229 1 39 . 1 1 5 5 GLY HA2 H 1 4.106 0.004 . 2 . . . A 5 GLY HA2 . 18229 1 40 . 1 1 5 5 GLY HA3 H 1 4.270 0.006 . 2 . . . A 5 GLY HA3 . 18229 1 41 . 1 1 5 5 GLY C C 13 171.058 . . 1 . . . A 5 GLY C . 18229 1 42 . 1 1 5 5 GLY CA C 13 45.471 0.011 . 1 . . . A 5 GLY CA . 18229 1 43 . 1 1 5 5 GLY N N 15 106.959 . . 1 . . . A 5 GLY N . 18229 1 44 . 1 1 6 6 ALA H H 1 8.641 . . 1 . . . A 6 ALA H . 18229 1 45 . 1 1 6 6 ALA HA H 1 4.961 0.002 . 1 . . . A 6 ALA HA . 18229 1 46 . 1 1 6 6 ALA HB1 H 1 1.555 0.002 . 1 . . . A 6 ALA HB1 . 18229 1 47 . 1 1 6 6 ALA HB2 H 1 1.555 0.002 . 1 . . . A 6 ALA HB2 . 18229 1 48 . 1 1 6 6 ALA HB3 H 1 1.555 0.002 . 1 . . . A 6 ALA HB3 . 18229 1 49 . 1 1 6 6 ALA C C 13 176.831 . . 1 . . . A 6 ALA C . 18229 1 50 . 1 1 6 6 ALA CA C 13 52.745 0.055 . 1 . . . A 6 ALA CA . 18229 1 51 . 1 1 6 6 ALA CB C 13 19.380 0.018 . 1 . . . A 6 ALA CB . 18229 1 52 . 1 1 6 6 ALA N N 15 125.264 . . 1 . . . A 6 ALA N . 18229 1 53 . 1 1 7 7 ALA H H 1 8.370 . . 1 . . . A 7 ALA H . 18229 1 54 . 1 1 7 7 ALA HA H 1 4.655 0.007 . 1 . . . A 7 ALA HA . 18229 1 55 . 1 1 7 7 ALA HB1 H 1 1.006 0.002 . 1 . . . A 7 ALA HB1 . 18229 1 56 . 1 1 7 7 ALA HB2 H 1 1.006 0.002 . 1 . . . A 7 ALA HB2 . 18229 1 57 . 1 1 7 7 ALA HB3 H 1 1.006 0.002 . 1 . . . A 7 ALA HB3 . 18229 1 58 . 1 1 7 7 ALA C C 13 176.683 . . 1 . . . A 7 ALA C . 18229 1 59 . 1 1 7 7 ALA CA C 13 51.745 0.046 . 1 . . . A 7 ALA CA . 18229 1 60 . 1 1 7 7 ALA CB C 13 24.037 0.033 . 1 . . . A 7 ALA CB . 18229 1 61 . 1 1 7 7 ALA N N 15 119.937 . . 1 . . . A 7 ALA N . 18229 1 62 . 1 1 8 8 ILE H H 1 9.349 . . 1 . . . A 8 ILE H . 18229 1 63 . 1 1 8 8 ILE HA H 1 4.995 0.004 . 1 . . . A 8 ILE HA . 18229 1 64 . 1 1 8 8 ILE HB H 1 1.578 0.004 . 1 . . . A 8 ILE HB . 18229 1 65 . 1 1 8 8 ILE HG12 H 1 1.494 0.005 . 2 . . . A 8 ILE HG12 . 18229 1 66 . 1 1 8 8 ILE HG13 H 1 0.964 0.004 . 2 . . . A 8 ILE HG13 . 18229 1 67 . 1 1 8 8 ILE HG21 H 1 0.610 0.004 . 1 . . . A 8 ILE HG21 . 18229 1 68 . 1 1 8 8 ILE HG22 H 1 0.610 0.004 . 1 . . . A 8 ILE HG22 . 18229 1 69 . 1 1 8 8 ILE HG23 H 1 0.610 0.004 . 1 . . . A 8 ILE HG23 . 18229 1 70 . 1 1 8 8 ILE HD11 H 1 0.771 0.002 . 1 . . . A 8 ILE HD11 . 18229 1 71 . 1 1 8 8 ILE HD12 H 1 0.771 0.002 . 1 . . . A 8 ILE HD12 . 18229 1 72 . 1 1 8 8 ILE HD13 H 1 0.771 0.002 . 1 . . . A 8 ILE HD13 . 18229 1 73 . 1 1 8 8 ILE C C 13 175.310 . . 1 . . . A 8 ILE C . 18229 1 74 . 1 1 8 8 ILE CA C 13 59.952 0.06 . 1 . . . A 8 ILE CA . 18229 1 75 . 1 1 8 8 ILE CB C 13 39.687 0.037 . 1 . . . A 8 ILE CB . 18229 1 76 . 1 1 8 8 ILE CG1 C 13 29.001 0.03 . 1 . . . A 8 ILE CG1 . 18229 1 77 . 1 1 8 8 ILE CG2 C 13 17.311 0.031 . 1 . . . A 8 ILE CG2 . 18229 1 78 . 1 1 8 8 ILE CD1 C 13 13.691 0.027 . 1 . . . A 8 ILE CD1 . 18229 1 79 . 1 1 8 8 ILE N N 15 125.430 . . 1 . . . A 8 ILE N . 18229 1 80 . 1 1 9 9 PHE H H 1 8.450 . . 1 . . . A 9 PHE H . 18229 1 81 . 1 1 9 9 PHE HA H 1 4.292 0.006 . 1 . . . A 9 PHE HA . 18229 1 82 . 1 1 9 9 PHE HB2 H 1 2.497 . . 2 . . . A 9 PHE HB2 . 18229 1 83 . 1 1 9 9 PHE HB3 H 1 2.637 . . 2 . . . A 9 PHE HB3 . 18229 1 84 . 1 1 9 9 PHE HD1 H 1 6.215 0.003 . 3 . . . A 9 PHE HD1 . 18229 1 85 . 1 1 9 9 PHE HD2 H 1 6.215 0.003 . 3 . . . A 9 PHE HD2 . 18229 1 86 . 1 1 9 9 PHE HE1 H 1 6.602 0.005 . 3 . . . A 9 PHE HE1 . 18229 1 87 . 1 1 9 9 PHE HE2 H 1 6.602 0.005 . 3 . . . A 9 PHE HE2 . 18229 1 88 . 1 1 9 9 PHE HZ H 1 6.357 0.002 . 1 . . . A 9 PHE HZ . 18229 1 89 . 1 1 9 9 PHE C C 13 173.925 . . 1 . . . A 9 PHE C . 18229 1 90 . 1 1 9 9 PHE CA C 13 56.271 0.03 . 1 . . . A 9 PHE CA . 18229 1 91 . 1 1 9 9 PHE CB C 13 39.567 . . 1 . . . A 9 PHE CB . 18229 1 92 . 1 1 9 9 PHE CD1 C 13 132.032 . . 3 . . . A 9 PHE CD1 . 18229 1 93 . 1 1 9 9 PHE CD2 C 13 132.032 . . 3 . . . A 9 PHE CD2 . 18229 1 94 . 1 1 9 9 PHE CE1 C 13 129.881 . . 3 . . . A 9 PHE CE1 . 18229 1 95 . 1 1 9 9 PHE CE2 C 13 129.881 . . 3 . . . A 9 PHE CE2 . 18229 1 96 . 1 1 9 9 PHE CZ C 13 128.256 . . 1 . . . A 9 PHE CZ . 18229 1 97 . 1 1 9 9 PHE N N 15 128.906 . . 1 . . . A 9 PHE N . 18229 1 98 . 1 1 10 10 GLU H H 1 8.749 . . 1 . . . A 10 GLU H . 18229 1 99 . 1 1 10 10 GLU HA H 1 3.204 0.003 . 1 . . . A 10 GLU HA . 18229 1 100 . 1 1 10 10 GLU HB2 H 1 1.244 0.003 . 2 . . . A 10 GLU HB2 . 18229 1 101 . 1 1 10 10 GLU HB3 H 1 1.583 0.003 . 2 . . . A 10 GLU HB3 . 18229 1 102 . 1 1 10 10 GLU HG2 H 1 1.111 0.003 . 2 . . . A 10 GLU HG2 . 18229 1 103 . 1 1 10 10 GLU HG3 H 1 0.606 0.002 . 2 . . . A 10 GLU HG3 . 18229 1 104 . 1 1 10 10 GLU C C 13 175.157 . . 1 . . . A 10 GLU C . 18229 1 105 . 1 1 10 10 GLU CA C 13 56.779 0.043 . 1 . . . A 10 GLU CA . 18229 1 106 . 1 1 10 10 GLU CB C 13 26.449 0.046 . 1 . . . A 10 GLU CB . 18229 1 107 . 1 1 10 10 GLU CG C 13 34.886 0.011 . 1 . . . A 10 GLU CG . 18229 1 108 . 1 1 10 10 GLU N N 15 126.509 . . 1 . . . A 10 GLU N . 18229 1 109 . 1 1 11 11 LYS H H 1 7.931 . . 1 . . . A 11 LYS H . 18229 1 110 . 1 1 11 11 LYS HA H 1 3.403 0.003 . 1 . . . A 11 LYS HA . 18229 1 111 . 1 1 11 11 LYS HB2 H 1 1.954 0.002 . 2 . . . A 11 LYS HB2 . 18229 1 112 . 1 1 11 11 LYS HB3 H 1 2.174 0.006 . 2 . . . A 11 LYS HB3 . 18229 1 113 . 1 1 11 11 LYS HG2 H 1 1.190 0.005 . 2 . . . A 11 LYS HG2 . 18229 1 114 . 1 1 11 11 LYS HG3 H 1 1.190 0.004 . 2 . . . A 11 LYS HG3 . 18229 1 115 . 1 1 11 11 LYS HD2 H 1 1.627 0.01 . 2 . . . A 11 LYS HD2 . 18229 1 116 . 1 1 11 11 LYS HD3 H 1 1.557 0.006 . 2 . . . A 11 LYS HD3 . 18229 1 117 . 1 1 11 11 LYS HE2 H 1 2.889 0.003 . 2 . . . A 11 LYS HE2 . 18229 1 118 . 1 1 11 11 LYS HE3 H 1 2.888 0.002 . 2 . . . A 11 LYS HE3 . 18229 1 119 . 1 1 11 11 LYS C C 13 175.543 . . 1 . . . A 11 LYS C . 18229 1 120 . 1 1 11 11 LYS CA C 13 58.554 0.013 . 1 . . . A 11 LYS CA . 18229 1 121 . 1 1 11 11 LYS CB C 13 30.177 0.028 . 1 . . . A 11 LYS CB . 18229 1 122 . 1 1 11 11 LYS CG C 13 25.704 0.052 . 1 . . . A 11 LYS CG . 18229 1 123 . 1 1 11 11 LYS CD C 13 29.138 0.022 . 1 . . . A 11 LYS CD . 18229 1 124 . 1 1 11 11 LYS CE C 13 41.902 0.064 . 1 . . . A 11 LYS CE . 18229 1 125 . 1 1 11 11 LYS N N 15 105.729 . . 1 . . . A 11 LYS N . 18229 1 126 . 1 1 12 12 VAL H H 1 7.901 . . 1 . . . A 12 VAL H . 18229 1 127 . 1 1 12 12 VAL HA H 1 4.417 0.002 . 1 . . . A 12 VAL HA . 18229 1 128 . 1 1 12 12 VAL HB H 1 2.546 0.003 . 1 . . . A 12 VAL HB . 18229 1 129 . 1 1 12 12 VAL HG11 H 1 1.484 0.002 . 2 . . . A 12 VAL HG11 . 18229 1 130 . 1 1 12 12 VAL HG12 H 1 1.484 0.002 . 2 . . . A 12 VAL HG12 . 18229 1 131 . 1 1 12 12 VAL HG13 H 1 1.484 0.002 . 2 . . . A 12 VAL HG13 . 18229 1 132 . 1 1 12 12 VAL HG21 H 1 1.132 0.005 . 2 . . . A 12 VAL HG21 . 18229 1 133 . 1 1 12 12 VAL HG22 H 1 1.132 0.005 . 2 . . . A 12 VAL HG22 . 18229 1 134 . 1 1 12 12 VAL HG23 H 1 1.132 0.005 . 2 . . . A 12 VAL HG23 . 18229 1 135 . 1 1 12 12 VAL C C 13 175.120 . . 1 . . . A 12 VAL C . 18229 1 136 . 1 1 12 12 VAL CA C 13 61.772 0.053 . 1 . . . A 12 VAL CA . 18229 1 137 . 1 1 12 12 VAL CB C 13 34.281 0.024 . 1 . . . A 12 VAL CB . 18229 1 138 . 1 1 12 12 VAL CG1 C 13 22.551 0.022 . 2 . . . A 12 VAL CG1 . 18229 1 139 . 1 1 12 12 VAL CG2 C 13 22.205 0.043 . 2 . . . A 12 VAL CG2 . 18229 1 140 . 1 1 12 12 VAL N N 15 123.753 . . 1 . . . A 12 VAL N . 18229 1 141 . 1 1 13 13 SER H H 1 8.876 . . 1 . . . A 13 SER H . 18229 1 142 . 1 1 13 13 SER HA H 1 4.627 0.001 . 1 . . . A 13 SER HA . 18229 1 143 . 1 1 13 13 SER HB2 H 1 3.989 0.001 . 2 . . . A 13 SER HB2 . 18229 1 144 . 1 1 13 13 SER HB3 H 1 4.033 0.005 . 2 . . . A 13 SER HB3 . 18229 1 145 . 1 1 13 13 SER C C 13 175.339 . . 1 . . . A 13 SER C . 18229 1 146 . 1 1 13 13 SER CA C 13 59.813 0.053 . 1 . . . A 13 SER CA . 18229 1 147 . 1 1 13 13 SER CB C 13 63.763 0.031 . 1 . . . A 13 SER CB . 18229 1 148 . 1 1 13 13 SER N N 15 121.941 . . 1 . . . A 13 SER N . 18229 1 149 . 1 1 14 14 GLY H H 1 8.277 . . 1 . . . A 14 GLY H . 18229 1 150 . 1 1 14 14 GLY HA2 H 1 4.178 0.002 . 2 . . . A 14 GLY HA2 . 18229 1 151 . 1 1 14 14 GLY HA3 H 1 4.345 0.001 . 2 . . . A 14 GLY HA3 . 18229 1 152 . 1 1 14 14 GLY C C 13 172.742 . . 1 . . . A 14 GLY C . 18229 1 153 . 1 1 14 14 GLY CA C 13 46.520 0.004 . 1 . . . A 14 GLY CA . 18229 1 154 . 1 1 14 14 GLY N N 15 113.199 . . 1 . . . A 14 GLY N . 18229 1 155 . 1 1 15 15 ILE H H 1 8.298 . . 1 . . . A 15 ILE H . 18229 1 156 . 1 1 15 15 ILE HA H 1 4.810 0.002 . 1 . . . A 15 ILE HA . 18229 1 157 . 1 1 15 15 ILE HB H 1 1.632 0.005 . 1 . . . A 15 ILE HB . 18229 1 158 . 1 1 15 15 ILE HG12 H 1 1.095 0.002 . 2 . . . A 15 ILE HG12 . 18229 1 159 . 1 1 15 15 ILE HG13 H 1 1.368 0.003 . 2 . . . A 15 ILE HG13 . 18229 1 160 . 1 1 15 15 ILE HG21 H 1 0.778 0.002 . 1 . . . A 15 ILE HG21 . 18229 1 161 . 1 1 15 15 ILE HG22 H 1 0.778 0.002 . 1 . . . A 15 ILE HG22 . 18229 1 162 . 1 1 15 15 ILE HG23 H 1 0.778 0.002 . 1 . . . A 15 ILE HG23 . 18229 1 163 . 1 1 15 15 ILE HD11 H 1 0.774 0.001 . 1 . . . A 15 ILE HD11 . 18229 1 164 . 1 1 15 15 ILE HD12 H 1 0.774 0.001 . 1 . . . A 15 ILE HD12 . 18229 1 165 . 1 1 15 15 ILE HD13 H 1 0.774 0.001 . 1 . . . A 15 ILE HD13 . 18229 1 166 . 1 1 15 15 ILE C C 13 175.370 . . 1 . . . A 15 ILE C . 18229 1 167 . 1 1 15 15 ILE CA C 13 59.320 0.018 . 1 . . . A 15 ILE CA . 18229 1 168 . 1 1 15 15 ILE CB C 13 41.606 0.022 . 1 . . . A 15 ILE CB . 18229 1 169 . 1 1 15 15 ILE CG1 C 13 27.413 0.015 . 1 . . . A 15 ILE CG1 . 18229 1 170 . 1 1 15 15 ILE CG2 C 13 17.369 0.045 . 1 . . . A 15 ILE CG2 . 18229 1 171 . 1 1 15 15 ILE CD1 C 13 11.981 0.021 . 1 . . . A 15 ILE CD1 . 18229 1 172 . 1 1 15 15 ILE N N 15 123.240 . . 1 . . . A 15 ILE N . 18229 1 173 . 1 1 16 16 ILE H H 1 9.428 . . 1 . . . A 16 ILE H . 18229 1 174 . 1 1 16 16 ILE HA H 1 5.000 0.008 . 1 . . . A 16 ILE HA . 18229 1 175 . 1 1 16 16 ILE HB H 1 1.627 0.006 . 1 . . . A 16 ILE HB . 18229 1 176 . 1 1 16 16 ILE HG12 H 1 0.779 0.005 . 2 . . . A 16 ILE HG12 . 18229 1 177 . 1 1 16 16 ILE HG13 H 1 1.543 0.008 . 2 . . . A 16 ILE HG13 . 18229 1 178 . 1 1 16 16 ILE HG21 H 1 0.795 0.003 . 1 . . . A 16 ILE HG21 . 18229 1 179 . 1 1 16 16 ILE HG22 H 1 0.795 0.003 . 1 . . . A 16 ILE HG22 . 18229 1 180 . 1 1 16 16 ILE HG23 H 1 0.795 0.003 . 1 . . . A 16 ILE HG23 . 18229 1 181 . 1 1 16 16 ILE HD11 H 1 0.134 0.009 . 1 . . . A 16 ILE HD11 . 18229 1 182 . 1 1 16 16 ILE HD12 H 1 0.134 0.009 . 1 . . . A 16 ILE HD12 . 18229 1 183 . 1 1 16 16 ILE HD13 H 1 0.134 0.009 . 1 . . . A 16 ILE HD13 . 18229 1 184 . 1 1 16 16 ILE C C 13 173.119 . . 1 . . . A 16 ILE C . 18229 1 185 . 1 1 16 16 ILE CA C 13 59.755 0.07 . 1 . . . A 16 ILE CA . 18229 1 186 . 1 1 16 16 ILE CB C 13 41.868 0.056 . 1 . . . A 16 ILE CB . 18229 1 187 . 1 1 16 16 ILE CG1 C 13 29.805 0.033 . 1 . . . A 16 ILE CG1 . 18229 1 188 . 1 1 16 16 ILE CG2 C 13 16.567 0.031 . 1 . . . A 16 ILE CG2 . 18229 1 189 . 1 1 16 16 ILE CD1 C 13 13.926 0.039 . 1 . . . A 16 ILE CD1 . 18229 1 190 . 1 1 16 16 ILE N N 15 127.865 . . 1 . . . A 16 ILE N . 18229 1 191 . 1 1 17 17 ALA H H 1 8.966 . . 1 . . . A 17 ALA H . 18229 1 192 . 1 1 17 17 ALA HA H 1 5.074 0.005 . 1 . . . A 17 ALA HA . 18229 1 193 . 1 1 17 17 ALA HB1 H 1 1.353 0.002 . 1 . . . A 17 ALA HB1 . 18229 1 194 . 1 1 17 17 ALA HB2 H 1 1.353 0.002 . 1 . . . A 17 ALA HB2 . 18229 1 195 . 1 1 17 17 ALA HB3 H 1 1.353 0.002 . 1 . . . A 17 ALA HB3 . 18229 1 196 . 1 1 17 17 ALA C C 13 176.203 . . 1 . . . A 17 ALA C . 18229 1 197 . 1 1 17 17 ALA CA C 13 51.391 0.074 . 1 . . . A 17 ALA CA . 18229 1 198 . 1 1 17 17 ALA CB C 13 22.190 0.018 . 1 . . . A 17 ALA CB . 18229 1 199 . 1 1 17 17 ALA N N 15 127.742 . . 1 . . . A 17 ALA N . 18229 1 200 . 1 1 18 18 ILE H H 1 8.672 . . 1 . . . A 18 ILE H . 18229 1 201 . 1 1 18 18 ILE HA H 1 4.621 0.003 . 1 . . . A 18 ILE HA . 18229 1 202 . 1 1 18 18 ILE HB H 1 1.800 0.005 . 1 . . . A 18 ILE HB . 18229 1 203 . 1 1 18 18 ILE HG12 H 1 1.535 0.005 . 2 . . . A 18 ILE HG12 . 18229 1 204 . 1 1 18 18 ILE HG13 H 1 0.877 0.003 . 2 . . . A 18 ILE HG13 . 18229 1 205 . 1 1 18 18 ILE HG21 H 1 0.694 0.003 . 1 . . . A 18 ILE HG21 . 18229 1 206 . 1 1 18 18 ILE HG22 H 1 0.694 0.003 . 1 . . . A 18 ILE HG22 . 18229 1 207 . 1 1 18 18 ILE HG23 H 1 0.694 0.003 . 1 . . . A 18 ILE HG23 . 18229 1 208 . 1 1 18 18 ILE HD11 H 1 0.803 0.004 . 1 . . . A 18 ILE HD11 . 18229 1 209 . 1 1 18 18 ILE HD12 H 1 0.803 0.004 . 1 . . . A 18 ILE HD12 . 18229 1 210 . 1 1 18 18 ILE HD13 H 1 0.803 0.004 . 1 . . . A 18 ILE HD13 . 18229 1 211 . 1 1 18 18 ILE C C 13 174.306 . . 1 . . . A 18 ILE C . 18229 1 212 . 1 1 18 18 ILE CA C 13 60.500 0.03 . 1 . . . A 18 ILE CA . 18229 1 213 . 1 1 18 18 ILE CB C 13 39.147 0.062 . 1 . . . A 18 ILE CB . 18229 1 214 . 1 1 18 18 ILE CG1 C 13 28.753 0.031 . 1 . . . A 18 ILE CG1 . 18229 1 215 . 1 1 18 18 ILE CG2 C 13 18.060 0.027 . 1 . . . A 18 ILE CG2 . 18229 1 216 . 1 1 18 18 ILE CD1 C 13 14.865 0.024 . 1 . . . A 18 ILE CD1 . 18229 1 217 . 1 1 18 18 ILE N N 15 122.269 . . 1 . . . A 18 ILE N . 18229 1 218 . 1 1 19 19 ASN H H 1 9.350 . . 1 . . . A 19 ASN H . 18229 1 219 . 1 1 19 19 ASN HA H 1 5.062 0.002 . 1 . . . A 19 ASN HA . 18229 1 220 . 1 1 19 19 ASN HB2 H 1 3.107 0.005 . 2 . . . A 19 ASN HB2 . 18229 1 221 . 1 1 19 19 ASN HB3 H 1 2.734 0.003 . 2 . . . A 19 ASN HB3 . 18229 1 222 . 1 1 19 19 ASN HD21 H 1 6.844 . . 1 . . . A 19 ASN HD21 . 18229 1 223 . 1 1 19 19 ASN HD22 H 1 7.688 . . 1 . . . A 19 ASN HD22 . 18229 1 224 . 1 1 19 19 ASN C C 13 174.730 . . 1 . . . A 19 ASN C . 18229 1 225 . 1 1 19 19 ASN CA C 13 51.729 0.015 . 1 . . . A 19 ASN CA . 18229 1 226 . 1 1 19 19 ASN CB C 13 39.496 0.04 . 1 . . . A 19 ASN CB . 18229 1 227 . 1 1 19 19 ASN N N 15 127.575 . . 1 . . . A 19 ASN N . 18229 1 228 . 1 1 19 19 ASN ND2 N 15 110.812 . . 1 . . . A 19 ASN ND2 . 18229 1 229 . 1 1 20 20 GLU H H 1 9.037 . . 1 . . . A 20 GLU H . 18229 1 230 . 1 1 20 20 GLU HA H 1 4.677 0.002 . 1 . . . A 20 GLU HA . 18229 1 231 . 1 1 20 20 GLU HB2 H 1 2.394 0.004 . 2 . . . A 20 GLU HB2 . 18229 1 232 . 1 1 20 20 GLU HB3 H 1 2.000 0.005 . 2 . . . A 20 GLU HB3 . 18229 1 233 . 1 1 20 20 GLU HG2 H 1 2.080 0.004 . 2 . . . A 20 GLU HG2 . 18229 1 234 . 1 1 20 20 GLU HG3 H 1 2.196 0.003 . 2 . . . A 20 GLU HG3 . 18229 1 235 . 1 1 20 20 GLU C C 13 176.091 . . 1 . . . A 20 GLU C . 18229 1 236 . 1 1 20 20 GLU CA C 13 55.802 0.043 . 1 . . . A 20 GLU CA . 18229 1 237 . 1 1 20 20 GLU CB C 13 30.672 0.031 . 1 . . . A 20 GLU CB . 18229 1 238 . 1 1 20 20 GLU CG C 13 38.538 0.014 . 1 . . . A 20 GLU CG . 18229 1 239 . 1 1 20 20 GLU N N 15 121.547 . . 1 . . . A 20 GLU N . 18229 1 240 . 1 1 21 21 ASP H H 1 8.706 . . 1 . . . A 21 ASP H . 18229 1 241 . 1 1 21 21 ASP HA H 1 4.629 0.003 . 1 . . . A 21 ASP HA . 18229 1 242 . 1 1 21 21 ASP HB2 H 1 2.886 0.003 . 2 . . . A 21 ASP HB2 . 18229 1 243 . 1 1 21 21 ASP HB3 H 1 2.812 0.004 . 2 . . . A 21 ASP HB3 . 18229 1 244 . 1 1 21 21 ASP C C 13 175.651 . . 1 . . . A 21 ASP C . 18229 1 245 . 1 1 21 21 ASP CA C 13 55.499 0.044 . 1 . . . A 21 ASP CA . 18229 1 246 . 1 1 21 21 ASP CB C 13 40.550 0.052 . 1 . . . A 21 ASP CB . 18229 1 247 . 1 1 21 21 ASP N N 15 121.086 . . 1 . . . A 21 ASP N . 18229 1 248 . 1 1 22 22 VAL H H 1 6.819 . . 1 . . . A 22 VAL H . 18229 1 249 . 1 1 22 22 VAL HA H 1 4.316 0.001 . 1 . . . A 22 VAL HA . 18229 1 250 . 1 1 22 22 VAL HB H 1 2.005 0.001 . 1 . . . A 22 VAL HB . 18229 1 251 . 1 1 22 22 VAL HG11 H 1 0.830 0.003 . 2 . . . A 22 VAL HG11 . 18229 1 252 . 1 1 22 22 VAL HG12 H 1 0.830 0.003 . 2 . . . A 22 VAL HG12 . 18229 1 253 . 1 1 22 22 VAL HG13 H 1 0.830 0.003 . 2 . . . A 22 VAL HG13 . 18229 1 254 . 1 1 22 22 VAL HG21 H 1 0.778 0.002 . 2 . . . A 22 VAL HG21 . 18229 1 255 . 1 1 22 22 VAL HG22 H 1 0.778 0.002 . 2 . . . A 22 VAL HG22 . 18229 1 256 . 1 1 22 22 VAL HG23 H 1 0.778 0.002 . 2 . . . A 22 VAL HG23 . 18229 1 257 . 1 1 22 22 VAL C C 13 173.407 . . 1 . . . A 22 VAL C . 18229 1 258 . 1 1 22 22 VAL CA C 13 59.153 0.028 . 1 . . . A 22 VAL CA . 18229 1 259 . 1 1 22 22 VAL CB C 13 34.029 0.008 . 1 . . . A 22 VAL CB . 18229 1 260 . 1 1 22 22 VAL CG1 C 13 17.995 0.02 . 2 . . . A 22 VAL CG1 . 18229 1 261 . 1 1 22 22 VAL CG2 C 13 21.240 0.012 . 2 . . . A 22 VAL CG2 . 18229 1 262 . 1 1 22 22 VAL N N 15 113.108 . . 1 . . . A 22 VAL N . 18229 1 263 . 1 1 23 23 SER H H 1 8.032 . . 1 . . . A 23 SER H . 18229 1 264 . 1 1 23 23 SER HA H 1 4.735 0.002 . 1 . . . A 23 SER HA . 18229 1 265 . 1 1 23 23 SER HB2 H 1 3.733 0.001 . 2 . . . A 23 SER HB2 . 18229 1 266 . 1 1 23 23 SER HB3 H 1 3.605 0.003 . 2 . . . A 23 SER HB3 . 18229 1 267 . 1 1 23 23 SER CA C 13 53.848 0.036 . 1 . . . A 23 SER CA . 18229 1 268 . 1 1 23 23 SER CB C 13 64.810 0.027 . 1 . . . A 23 SER CB . 18229 1 269 . 1 1 23 23 SER N N 15 115.009 . . 1 . . . A 23 SER N . 18229 1 270 . 1 1 24 24 PRO HA H 1 4.784 0.003 . 1 . . . A 24 PRO HA . 18229 1 271 . 1 1 24 24 PRO HB2 H 1 1.856 0.005 . 2 . . . A 24 PRO HB2 . 18229 1 272 . 1 1 24 24 PRO HB3 H 1 2.208 0.004 . 2 . . . A 24 PRO HB3 . 18229 1 273 . 1 1 24 24 PRO HG2 H 1 1.844 0.005 . 2 . . . A 24 PRO HG2 . 18229 1 274 . 1 1 24 24 PRO HG3 H 1 1.788 0.003 . 2 . . . A 24 PRO HG3 . 18229 1 275 . 1 1 24 24 PRO HD2 H 1 3.480 0.005 . 1 . . . A 24 PRO HD2 . 18229 1 276 . 1 1 24 24 PRO HD3 H 1 3.480 0.005 . 1 . . . A 24 PRO HD3 . 18229 1 277 . 1 1 24 24 PRO C C 13 174.825 . . 1 . . . A 24 PRO C . 18229 1 278 . 1 1 24 24 PRO CA C 13 62.848 0.023 . 1 . . . A 24 PRO CA . 18229 1 279 . 1 1 24 24 PRO CB C 13 34.801 0.052 . 1 . . . A 24 PRO CB . 18229 1 280 . 1 1 24 24 PRO CG C 13 26.010 0.036 . 1 . . . A 24 PRO CG . 18229 1 281 . 1 1 24 24 PRO CD C 13 49.769 0.023 . 1 . . . A 24 PRO CD . 18229 1 282 . 1 1 25 25 ALA H H 1 8.013 . . 1 . . . A 25 ALA H . 18229 1 283 . 1 1 25 25 ALA HA H 1 4.515 0.002 . 1 . . . A 25 ALA HA . 18229 1 284 . 1 1 25 25 ALA HB1 H 1 1.545 0.002 . 1 . . . A 25 ALA HB1 . 18229 1 285 . 1 1 25 25 ALA HB2 H 1 1.545 0.002 . 1 . . . A 25 ALA HB2 . 18229 1 286 . 1 1 25 25 ALA HB3 H 1 1.545 0.002 . 1 . . . A 25 ALA HB3 . 18229 1 287 . 1 1 25 25 ALA C C 13 175.878 . . 1 . . . A 25 ALA C . 18229 1 288 . 1 1 25 25 ALA CA C 13 52.608 0.019 . 1 . . . A 25 ALA CA . 18229 1 289 . 1 1 25 25 ALA CB C 13 20.454 0.019 . 1 . . . A 25 ALA CB . 18229 1 290 . 1 1 25 25 ALA N N 15 120.477 . . 1 . . . A 25 ALA N . 18229 1 291 . 1 1 26 26 GLU H H 1 7.821 . . 1 . . . A 26 GLU H . 18229 1 292 . 1 1 26 26 GLU HA H 1 5.071 0.003 . 1 . . . A 26 GLU HA . 18229 1 293 . 1 1 26 26 GLU HB2 H 1 1.803 0.004 . 2 . . . A 26 GLU HB2 . 18229 1 294 . 1 1 26 26 GLU HB3 H 1 1.724 0.005 . 2 . . . A 26 GLU HB3 . 18229 1 295 . 1 1 26 26 GLU HG2 H 1 2.385 0.003 . 2 . . . A 26 GLU HG2 . 18229 1 296 . 1 1 26 26 GLU HG3 H 1 2.016 0.003 . 2 . . . A 26 GLU HG3 . 18229 1 297 . 1 1 26 26 GLU C C 13 174.599 . . 1 . . . A 26 GLU C . 18229 1 298 . 1 1 26 26 GLU CA C 13 53.987 0.053 . 1 . . . A 26 GLU CA . 18229 1 299 . 1 1 26 26 GLU CB C 13 34.265 0.031 . 1 . . . A 26 GLU CB . 18229 1 300 . 1 1 26 26 GLU CG C 13 35.688 0.071 . 1 . . . A 26 GLU CG . 18229 1 301 . 1 1 26 26 GLU N N 15 115.417 . . 1 . . . A 26 GLU N . 18229 1 302 . 1 1 27 27 LEU H H 1 8.863 . . 1 . . . A 27 LEU H . 18229 1 303 . 1 1 27 27 LEU HA H 1 5.038 0.004 . 1 . . . A 27 LEU HA . 18229 1 304 . 1 1 27 27 LEU HB2 H 1 1.656 0.007 . 2 . . . A 27 LEU HB2 . 18229 1 305 . 1 1 27 27 LEU HB3 H 1 1.384 0.006 . 2 . . . A 27 LEU HB3 . 18229 1 306 . 1 1 27 27 LEU HG H 1 1.394 0.008 . 1 . . . A 27 LEU HG . 18229 1 307 . 1 1 27 27 LEU HD11 H 1 0.590 0.006 . 2 . . . A 27 LEU HD11 . 18229 1 308 . 1 1 27 27 LEU HD12 H 1 0.590 0.006 . 2 . . . A 27 LEU HD12 . 18229 1 309 . 1 1 27 27 LEU HD13 H 1 0.590 0.006 . 2 . . . A 27 LEU HD13 . 18229 1 310 . 1 1 27 27 LEU HD21 H 1 0.675 0.008 . 2 . . . A 27 LEU HD21 . 18229 1 311 . 1 1 27 27 LEU HD22 H 1 0.675 0.008 . 2 . . . A 27 LEU HD22 . 18229 1 312 . 1 1 27 27 LEU HD23 H 1 0.675 0.008 . 2 . . . A 27 LEU HD23 . 18229 1 313 . 1 1 27 27 LEU C C 13 174.704 . . 1 . . . A 27 LEU C . 18229 1 314 . 1 1 27 27 LEU CA C 13 53.757 0.027 . 1 . . . A 27 LEU CA . 18229 1 315 . 1 1 27 27 LEU CB C 13 45.646 0.032 . 1 . . . A 27 LEU CB . 18229 1 316 . 1 1 27 27 LEU CG C 13 27.265 0.031 . 1 . . . A 27 LEU CG . 18229 1 317 . 1 1 27 27 LEU CD1 C 13 27.196 0.008 . 2 . . . A 27 LEU CD1 . 18229 1 318 . 1 1 27 27 LEU CD2 C 13 25.949 0.039 . 2 . . . A 27 LEU CD2 . 18229 1 319 . 1 1 27 27 LEU N N 15 124.622 . . 1 . . . A 27 LEU N . 18229 1 320 . 1 1 28 28 THR H H 1 9.276 . . 1 . . . A 28 THR H . 18229 1 321 . 1 1 28 28 THR HA H 1 5.152 0.003 . 1 . . . A 28 THR HA . 18229 1 322 . 1 1 28 28 THR HB H 1 3.956 0.002 . 1 . . . A 28 THR HB . 18229 1 323 . 1 1 28 28 THR HG21 H 1 1.120 0.003 . 1 . . . A 28 THR HG21 . 18229 1 324 . 1 1 28 28 THR HG22 H 1 1.120 0.003 . 1 . . . A 28 THR HG22 . 18229 1 325 . 1 1 28 28 THR HG23 H 1 1.120 0.003 . 1 . . . A 28 THR HG23 . 18229 1 326 . 1 1 28 28 THR C C 13 172.573 . . 1 . . . A 28 THR C . 18229 1 327 . 1 1 28 28 THR CA C 13 61.452 0.036 . 1 . . . A 28 THR CA . 18229 1 328 . 1 1 28 28 THR CB C 13 71.480 0.02 . 1 . . . A 28 THR CB . 18229 1 329 . 1 1 28 28 THR CG2 C 13 21.893 0.038 . 1 . . . A 28 THR CG2 . 18229 1 330 . 1 1 28 28 THR N N 15 121.755 . . 1 . . . A 28 THR N . 18229 1 331 . 1 1 29 29 TRP H H 1 9.383 . . 1 . . . A 29 TRP H . 18229 1 332 . 1 1 29 29 TRP HA H 1 5.448 0.007 . 1 . . . A 29 TRP HA . 18229 1 333 . 1 1 29 29 TRP HB2 H 1 3.169 0.008 . 2 . . . A 29 TRP HB2 . 18229 1 334 . 1 1 29 29 TRP HB3 H 1 2.821 0.006 . 2 . . . A 29 TRP HB3 . 18229 1 335 . 1 1 29 29 TRP HD1 H 1 6.667 0.003 . 1 . . . A 29 TRP HD1 . 18229 1 336 . 1 1 29 29 TRP HE1 H 1 9.485 . . 1 . . . A 29 TRP HE1 . 18229 1 337 . 1 1 29 29 TRP HE3 H 1 7.293 . . 1 . . . A 29 TRP HE3 . 18229 1 338 . 1 1 29 29 TRP HZ2 H 1 7.641 0.007 . 1 . . . A 29 TRP HZ2 . 18229 1 339 . 1 1 29 29 TRP HZ3 H 1 6.882 . . 1 . . . A 29 TRP HZ3 . 18229 1 340 . 1 1 29 29 TRP HH2 H 1 7.108 0.005 . 1 . . . A 29 TRP HH2 . 18229 1 341 . 1 1 29 29 TRP C C 13 173.881 . . 1 . . . A 29 TRP C . 18229 1 342 . 1 1 29 29 TRP CA C 13 55.790 0.027 . 1 . . . A 29 TRP CA . 18229 1 343 . 1 1 29 29 TRP CB C 13 32.330 0.016 . 1 . . . A 29 TRP CB . 18229 1 344 . 1 1 29 29 TRP CD1 C 13 124.496 0.0 . 1 . . . A 29 TRP CD1 . 18229 1 345 . 1 1 29 29 TRP CZ2 C 13 114.833 0.04 . 1 . . . A 29 TRP CZ2 . 18229 1 346 . 1 1 29 29 TRP CH2 C 13 124.597 0.031 . 1 . . . A 29 TRP CH2 . 18229 1 347 . 1 1 29 29 TRP N N 15 128.764 . . 1 . . . A 29 TRP N . 18229 1 348 . 1 1 29 29 TRP NE1 N 15 126.258 . . 1 . . . A 29 TRP NE1 . 18229 1 349 . 1 1 30 30 ARG H H 1 7.579 . . 1 . . . A 30 ARG H . 18229 1 350 . 1 1 30 30 ARG HA H 1 4.807 0.003 . 1 . . . A 30 ARG HA . 18229 1 351 . 1 1 30 30 ARG HB2 H 1 1.431 0.006 . 2 . . . A 30 ARG HB2 . 18229 1 352 . 1 1 30 30 ARG HB3 H 1 1.542 0.005 . 2 . . . A 30 ARG HB3 . 18229 1 353 . 1 1 30 30 ARG HG2 H 1 1.443 0.005 . 2 . . . A 30 ARG HG2 . 18229 1 354 . 1 1 30 30 ARG HG3 H 1 1.604 0.007 . 2 . . . A 30 ARG HG3 . 18229 1 355 . 1 1 30 30 ARG HD2 H 1 3.099 0.002 . 2 . . . A 30 ARG HD2 . 18229 1 356 . 1 1 30 30 ARG HD3 H 1 3.036 0.003 . 2 . . . A 30 ARG HD3 . 18229 1 357 . 1 1 30 30 ARG HE H 1 7.113 . . 1 . . . A 30 ARG HE . 18229 1 358 . 1 1 30 30 ARG C C 13 174.712 . . 1 . . . A 30 ARG C . 18229 1 359 . 1 1 30 30 ARG CA C 13 53.468 0.045 . 1 . . . A 30 ARG CA . 18229 1 360 . 1 1 30 30 ARG CB C 13 33.818 0.017 . 1 . . . A 30 ARG CB . 18229 1 361 . 1 1 30 30 ARG CG C 13 27.324 0.026 . 1 . . . A 30 ARG CG . 18229 1 362 . 1 1 30 30 ARG CD C 13 43.328 0.039 . 1 . . . A 30 ARG CD . 18229 1 363 . 1 1 30 30 ARG N N 15 126.417 . . 1 . . . A 30 ARG N . 18229 1 364 . 1 1 30 30 ARG NE N 15 84.731 . . 1 . . . A 30 ARG NE . 18229 1 365 . 1 1 31 31 SER H H 1 8.078 . . 1 . . . A 31 SER H . 18229 1 366 . 1 1 31 31 SER HA H 1 4.480 0.005 . 1 . . . A 31 SER HA . 18229 1 367 . 1 1 31 31 SER HB2 H 1 3.877 0.003 . 1 . . . A 31 SER HB2 . 18229 1 368 . 1 1 31 31 SER HB3 H 1 3.877 0.003 . 1 . . . A 31 SER HB3 . 18229 1 369 . 1 1 31 31 SER C C 13 176.360 . . 1 . . . A 31 SER C . 18229 1 370 . 1 1 31 31 SER CA C 13 58.070 . . 1 . . . A 31 SER CA . 18229 1 371 . 1 1 31 31 SER CB C 13 64.272 . . 1 . . . A 31 SER CB . 18229 1 372 . 1 1 31 31 SER N N 15 118.415 . . 1 . . . A 31 SER N . 18229 1 373 . 1 1 32 32 THR H H 1 8.520 . . 1 . . . A 32 THR H . 18229 1 374 . 1 1 32 32 THR HA H 1 3.847 0.001 . 1 . . . A 32 THR HA . 18229 1 375 . 1 1 32 32 THR HB H 1 4.121 0.002 . 1 . . . A 32 THR HB . 18229 1 376 . 1 1 32 32 THR HG21 H 1 1.225 0.001 . 1 . . . A 32 THR HG21 . 18229 1 377 . 1 1 32 32 THR HG22 H 1 1.225 0.001 . 1 . . . A 32 THR HG22 . 18229 1 378 . 1 1 32 32 THR HG23 H 1 1.225 0.001 . 1 . . . A 32 THR HG23 . 18229 1 379 . 1 1 32 32 THR C C 13 175.602 . . 1 . . . A 32 THR C . 18229 1 380 . 1 1 32 32 THR CA C 13 66.265 0.012 . 1 . . . A 32 THR CA . 18229 1 381 . 1 1 32 32 THR CB C 13 68.557 0.026 . 1 . . . A 32 THR CB . 18229 1 382 . 1 1 32 32 THR CG2 C 13 22.208 0.056 . 1 . . . A 32 THR CG2 . 18229 1 383 . 1 1 32 32 THR N N 15 119.175 . . 1 . . . A 32 THR N . 18229 1 384 . 1 1 33 33 ASP H H 1 8.223 . . 1 . . . A 33 ASP H . 18229 1 385 . 1 1 33 33 ASP HA H 1 4.617 0.002 . 1 . . . A 33 ASP HA . 18229 1 386 . 1 1 33 33 ASP HB2 H 1 2.822 0.002 . 2 . . . A 33 ASP HB2 . 18229 1 387 . 1 1 33 33 ASP HB3 H 1 2.717 0.0 . 2 . . . A 33 ASP HB3 . 18229 1 388 . 1 1 33 33 ASP C C 13 177.056 . . 1 . . . A 33 ASP C . 18229 1 389 . 1 1 33 33 ASP CA C 13 54.225 0.021 . 1 . . . A 33 ASP CA . 18229 1 390 . 1 1 33 33 ASP CB C 13 40.878 0.05 . 1 . . . A 33 ASP CB . 18229 1 391 . 1 1 33 33 ASP N N 15 117.286 . . 1 . . . A 33 ASP N . 18229 1 392 . 1 1 34 34 GLY H H 1 7.914 . . 1 . . . A 34 GLY H . 18229 1 393 . 1 1 34 34 GLY HA2 H 1 4.129 0.002 . 2 . . . A 34 GLY HA2 . 18229 1 394 . 1 1 34 34 GLY HA3 H 1 3.521 0.008 . 2 . . . A 34 GLY HA3 . 18229 1 395 . 1 1 34 34 GLY C C 13 173.762 . . 1 . . . A 34 GLY C . 18229 1 396 . 1 1 34 34 GLY CA C 13 45.399 0.051 . 1 . . . A 34 GLY CA . 18229 1 397 . 1 1 34 34 GLY N N 15 109.197 . . 1 . . . A 34 GLY N . 18229 1 398 . 1 1 35 35 ASP H H 1 8.238 . . 1 . . . A 35 ASP H . 18229 1 399 . 1 1 35 35 ASP HA H 1 4.519 0.003 . 1 . . . A 35 ASP HA . 18229 1 400 . 1 1 35 35 ASP HB2 H 1 2.751 0.001 . 2 . . . A 35 ASP HB2 . 18229 1 401 . 1 1 35 35 ASP HB3 H 1 2.677 0.001 . 2 . . . A 35 ASP HB3 . 18229 1 402 . 1 1 35 35 ASP C C 13 175.366 . . 1 . . . A 35 ASP C . 18229 1 403 . 1 1 35 35 ASP CA C 13 54.860 0.038 . 1 . . . A 35 ASP CA . 18229 1 404 . 1 1 35 35 ASP CB C 13 40.973 0.043 . 1 . . . A 35 ASP CB . 18229 1 405 . 1 1 35 35 ASP N N 15 118.081 . . 1 . . . A 35 ASP N . 18229 1 406 . 1 1 36 36 LYS H H 1 7.749 . . 1 . . . A 36 LYS H . 18229 1 407 . 1 1 36 36 LYS HA H 1 4.834 0.003 . 1 . . . A 36 LYS HA . 18229 1 408 . 1 1 36 36 LYS HB2 H 1 1.936 0.004 . 2 . . . A 36 LYS HB2 . 18229 1 409 . 1 1 36 36 LYS HB3 H 1 2.202 0.002 . 2 . . . A 36 LYS HB3 . 18229 1 410 . 1 1 36 36 LYS HG2 H 1 1.628 0.004 . 2 . . . A 36 LYS HG2 . 18229 1 411 . 1 1 36 36 LYS HG3 H 1 1.741 0.004 . 2 . . . A 36 LYS HG3 . 18229 1 412 . 1 1 36 36 LYS HD2 H 1 1.993 0.004 . 1 . . . A 36 LYS HD2 . 18229 1 413 . 1 1 36 36 LYS HD3 H 1 1.993 0.004 . 1 . . . A 36 LYS HD3 . 18229 1 414 . 1 1 36 36 LYS HE2 H 1 3.192 0.004 . 2 . . . A 36 LYS HE2 . 18229 1 415 . 1 1 36 36 LYS HE3 H 1 3.193 0.004 . 2 . . . A 36 LYS HE3 . 18229 1 416 . 1 1 36 36 LYS C C 13 174.568 . . 1 . . . A 36 LYS C . 18229 1 417 . 1 1 36 36 LYS CA C 13 55.536 0.025 . 1 . . . A 36 LYS CA . 18229 1 418 . 1 1 36 36 LYS CB C 13 35.779 0.056 . 1 . . . A 36 LYS CB . 18229 1 419 . 1 1 36 36 LYS CG C 13 25.369 0.027 . 1 . . . A 36 LYS CG . 18229 1 420 . 1 1 36 36 LYS CD C 13 29.603 0.012 . 1 . . . A 36 LYS CD . 18229 1 421 . 1 1 36 36 LYS CE C 13 42.223 0.012 . 1 . . . A 36 LYS CE . 18229 1 422 . 1 1 36 36 LYS N N 15 120.362 . . 1 . . . A 36 LYS N . 18229 1 423 . 1 1 37 37 VAL H H 1 8.526 . . 1 . . . A 37 VAL H . 18229 1 424 . 1 1 37 37 VAL HA H 1 5.271 0.003 . 1 . . . A 37 VAL HA . 18229 1 425 . 1 1 37 37 VAL HB H 1 2.035 0.002 . 1 . . . A 37 VAL HB . 18229 1 426 . 1 1 37 37 VAL HG11 H 1 0.922 0.004 . 2 . . . A 37 VAL HG11 . 18229 1 427 . 1 1 37 37 VAL HG12 H 1 0.922 0.004 . 2 . . . A 37 VAL HG12 . 18229 1 428 . 1 1 37 37 VAL HG13 H 1 0.922 0.004 . 2 . . . A 37 VAL HG13 . 18229 1 429 . 1 1 37 37 VAL HG21 H 1 0.922 0.004 . 2 . . . A 37 VAL HG21 . 18229 1 430 . 1 1 37 37 VAL HG22 H 1 0.922 0.004 . 2 . . . A 37 VAL HG22 . 18229 1 431 . 1 1 37 37 VAL HG23 H 1 0.922 0.004 . 2 . . . A 37 VAL HG23 . 18229 1 432 . 1 1 37 37 VAL C C 13 175.209 . . 1 . . . A 37 VAL C . 18229 1 433 . 1 1 37 37 VAL CA C 13 60.263 0.031 . 1 . . . A 37 VAL CA . 18229 1 434 . 1 1 37 37 VAL CB C 13 35.983 0.034 . 1 . . . A 37 VAL CB . 18229 1 435 . 1 1 37 37 VAL CG1 C 13 20.927 0.028 . 1 . . . A 37 VAL CG1 . 18229 1 436 . 1 1 37 37 VAL CG2 C 13 20.927 0.028 . 1 . . . A 37 VAL CG2 . 18229 1 437 . 1 1 37 37 VAL N N 15 121.758 . . 1 . . . A 37 VAL N . 18229 1 438 . 1 1 38 38 HIS H H 1 9.633 . . 1 . . . A 38 HIS H . 18229 1 439 . 1 1 38 38 HIS HA H 1 5.021 0.001 . 1 . . . A 38 HIS HA . 18229 1 440 . 1 1 38 38 HIS HB2 H 1 2.833 . . 2 . . . A 38 HIS HB2 . 18229 1 441 . 1 1 38 38 HIS HB3 H 1 2.762 . . 2 . . . A 38 HIS HB3 . 18229 1 442 . 1 1 38 38 HIS C C 13 173.116 . . 1 . . . A 38 HIS C . 18229 1 443 . 1 1 38 38 HIS CA C 13 55.808 0.056 . 1 . . . A 38 HIS CA . 18229 1 444 . 1 1 38 38 HIS CB C 13 32.983 . . 1 . . . A 38 HIS CB . 18229 1 445 . 1 1 38 38 HIS N N 15 126.087 . . 1 . . . A 38 HIS N . 18229 1 446 . 1 1 39 39 THR H H 1 8.415 . . 1 . . . A 39 THR H . 18229 1 447 . 1 1 39 39 THR HA H 1 5.155 0.004 . 1 . . . A 39 THR HA . 18229 1 448 . 1 1 39 39 THR HB H 1 3.766 0.004 . 1 . . . A 39 THR HB . 18229 1 449 . 1 1 39 39 THR HG21 H 1 0.994 0.003 . 1 . . . A 39 THR HG21 . 18229 1 450 . 1 1 39 39 THR HG22 H 1 0.994 0.003 . 1 . . . A 39 THR HG22 . 18229 1 451 . 1 1 39 39 THR HG23 H 1 0.994 0.003 . 1 . . . A 39 THR HG23 . 18229 1 452 . 1 1 39 39 THR C C 13 173.102 . . 1 . . . A 39 THR C . 18229 1 453 . 1 1 39 39 THR CA C 13 61.637 0.048 . 1 . . . A 39 THR CA . 18229 1 454 . 1 1 39 39 THR CB C 13 70.716 0.05 . 1 . . . A 39 THR CB . 18229 1 455 . 1 1 39 39 THR CG2 C 13 21.662 0.04 . 1 . . . A 39 THR CG2 . 18229 1 456 . 1 1 39 39 THR N N 15 124.455 . . 1 . . . A 39 THR N . 18229 1 457 . 1 1 40 40 VAL H H 1 9.387 . . 1 . . . A 40 VAL H . 18229 1 458 . 1 1 40 40 VAL HA H 1 3.953 0.002 . 1 . . . A 40 VAL HA . 18229 1 459 . 1 1 40 40 VAL HB H 1 1.836 0.003 . 1 . . . A 40 VAL HB . 18229 1 460 . 1 1 40 40 VAL HG11 H 1 0.358 0.005 . 2 . . . A 40 VAL HG11 . 18229 1 461 . 1 1 40 40 VAL HG12 H 1 0.358 0.005 . 2 . . . A 40 VAL HG12 . 18229 1 462 . 1 1 40 40 VAL HG13 H 1 0.358 0.005 . 2 . . . A 40 VAL HG13 . 18229 1 463 . 1 1 40 40 VAL HG21 H 1 0.349 0.007 . 2 . . . A 40 VAL HG21 . 18229 1 464 . 1 1 40 40 VAL HG22 H 1 0.349 0.007 . 2 . . . A 40 VAL HG22 . 18229 1 465 . 1 1 40 40 VAL HG23 H 1 0.349 0.007 . 2 . . . A 40 VAL HG23 . 18229 1 466 . 1 1 40 40 VAL C C 13 174.693 . . 1 . . . A 40 VAL C . 18229 1 467 . 1 1 40 40 VAL CA C 13 60.348 0.03 . 1 . . . A 40 VAL CA . 18229 1 468 . 1 1 40 40 VAL CB C 13 34.274 0.01 . 1 . . . A 40 VAL CB . 18229 1 469 . 1 1 40 40 VAL CG1 C 13 21.281 0.021 . 2 . . . A 40 VAL CG1 . 18229 1 470 . 1 1 40 40 VAL CG2 C 13 19.966 0.031 . 2 . . . A 40 VAL CG2 . 18229 1 471 . 1 1 40 40 VAL N N 15 126.066 . . 1 . . . A 40 VAL N . 18229 1 472 . 1 1 41 41 VAL H H 1 9.021 . . 1 . . . A 41 VAL H . 18229 1 473 . 1 1 41 41 VAL HA H 1 3.988 0.004 . 1 . . . A 41 VAL HA . 18229 1 474 . 1 1 41 41 VAL HB H 1 2.031 0.003 . 1 . . . A 41 VAL HB . 18229 1 475 . 1 1 41 41 VAL HG11 H 1 1.018 0.006 . 2 . . . A 41 VAL HG11 . 18229 1 476 . 1 1 41 41 VAL HG12 H 1 1.018 0.006 . 2 . . . A 41 VAL HG12 . 18229 1 477 . 1 1 41 41 VAL HG13 H 1 1.018 0.006 . 2 . . . A 41 VAL HG13 . 18229 1 478 . 1 1 41 41 VAL HG21 H 1 0.948 0.002 . 2 . . . A 41 VAL HG21 . 18229 1 479 . 1 1 41 41 VAL HG22 H 1 0.948 0.002 . 2 . . . A 41 VAL HG22 . 18229 1 480 . 1 1 41 41 VAL HG23 H 1 0.948 0.002 . 2 . . . A 41 VAL HG23 . 18229 1 481 . 1 1 41 41 VAL C C 13 179.424 . . 1 . . . A 41 VAL C . 18229 1 482 . 1 1 41 41 VAL CA C 13 63.744 0.048 . 1 . . . A 41 VAL CA . 18229 1 483 . 1 1 41 41 VAL CB C 13 30.951 0.024 . 1 . . . A 41 VAL CB . 18229 1 484 . 1 1 41 41 VAL CG1 C 13 22.035 0.032 . 2 . . . A 41 VAL CG1 . 18229 1 485 . 1 1 41 41 VAL CG2 C 13 21.259 0.027 . 2 . . . A 41 VAL CG2 . 18229 1 486 . 1 1 41 41 VAL N N 15 129.775 . . 1 . . . A 41 VAL N . 18229 1 487 . 1 1 42 42 LEU H H 1 9.147 . . 1 . . . A 42 LEU H . 18229 1 488 . 1 1 42 42 LEU HA H 1 3.973 0.005 . 1 . . . A 42 LEU HA . 18229 1 489 . 1 1 42 42 LEU HB2 H 1 1.825 0.004 . 2 . . . A 42 LEU HB2 . 18229 1 490 . 1 1 42 42 LEU HB3 H 1 1.455 0.002 . 2 . . . A 42 LEU HB3 . 18229 1 491 . 1 1 42 42 LEU HG H 1 1.710 0.004 . 1 . . . A 42 LEU HG . 18229 1 492 . 1 1 42 42 LEU HD11 H 1 0.751 0.004 . 2 . . . A 42 LEU HD11 . 18229 1 493 . 1 1 42 42 LEU HD12 H 1 0.751 0.004 . 2 . . . A 42 LEU HD12 . 18229 1 494 . 1 1 42 42 LEU HD13 H 1 0.751 0.004 . 2 . . . A 42 LEU HD13 . 18229 1 495 . 1 1 42 42 LEU HD21 H 1 0.701 0.004 . 2 . . . A 42 LEU HD21 . 18229 1 496 . 1 1 42 42 LEU HD22 H 1 0.701 0.004 . 2 . . . A 42 LEU HD22 . 18229 1 497 . 1 1 42 42 LEU HD23 H 1 0.701 0.004 . 2 . . . A 42 LEU HD23 . 18229 1 498 . 1 1 42 42 LEU C C 13 176.259 . . 1 . . . A 42 LEU C . 18229 1 499 . 1 1 42 42 LEU CA C 13 58.643 0.061 . 1 . . . A 42 LEU CA . 18229 1 500 . 1 1 42 42 LEU CB C 13 40.828 0.068 . 1 . . . A 42 LEU CB . 18229 1 501 . 1 1 42 42 LEU CG C 13 27.339 0.064 . 1 . . . A 42 LEU CG . 18229 1 502 . 1 1 42 42 LEU CD1 C 13 26.457 0.025 . 2 . . . A 42 LEU CD1 . 18229 1 503 . 1 1 42 42 LEU CD2 C 13 23.006 0.012 . 2 . . . A 42 LEU CD2 . 18229 1 504 . 1 1 42 42 LEU N N 15 129.645 . . 1 . . . A 42 LEU N . 18229 1 505 . 1 1 43 43 SER H H 1 7.006 . . 1 . . . A 43 SER H . 18229 1 506 . 1 1 43 43 SER HA H 1 4.310 0.001 . 1 . . . A 43 SER HA . 18229 1 507 . 1 1 43 43 SER HB2 H 1 3.883 0.003 . 2 . . . A 43 SER HB2 . 18229 1 508 . 1 1 43 43 SER HB3 H 1 3.884 0.003 . 2 . . . A 43 SER HB3 . 18229 1 509 . 1 1 43 43 SER C C 13 175.263 . . 1 . . . A 43 SER C . 18229 1 510 . 1 1 43 43 SER CA C 13 59.620 . . 1 . . . A 43 SER CA . 18229 1 511 . 1 1 43 43 SER CB C 13 61.543 . . 1 . . . A 43 SER CB . 18229 1 512 . 1 1 43 43 SER N N 15 110.158 . . 1 . . . A 43 SER N . 18229 1 513 . 1 1 44 44 THR H H 1 7.571 . . 1 . . . A 44 THR H . 18229 1 514 . 1 1 44 44 THR HA H 1 4.504 0.003 . 1 . . . A 44 THR HA . 18229 1 515 . 1 1 44 44 THR HB H 1 4.661 0.002 . 1 . . . A 44 THR HB . 18229 1 516 . 1 1 44 44 THR HG21 H 1 1.205 0.001 . 1 . . . A 44 THR HG21 . 18229 1 517 . 1 1 44 44 THR HG22 H 1 1.205 0.001 . 1 . . . A 44 THR HG22 . 18229 1 518 . 1 1 44 44 THR HG23 H 1 1.205 0.001 . 1 . . . A 44 THR HG23 . 18229 1 519 . 1 1 44 44 THR C C 13 173.489 . . 1 . . . A 44 THR C . 18229 1 520 . 1 1 44 44 THR CA C 13 62.024 0.01 . 1 . . . A 44 THR CA . 18229 1 521 . 1 1 44 44 THR CB C 13 69.805 0.014 . 1 . . . A 44 THR CB . 18229 1 522 . 1 1 44 44 THR CG2 C 13 21.048 0.034 . 1 . . . A 44 THR CG2 . 18229 1 523 . 1 1 44 44 THR N N 15 110.206 . . 1 . . . A 44 THR N . 18229 1 524 . 1 1 45 45 ILE H H 1 6.975 . . 1 . . . A 45 ILE H . 18229 1 525 . 1 1 45 45 ILE HA H 1 4.267 0.001 . 1 . . . A 45 ILE HA . 18229 1 526 . 1 1 45 45 ILE HB H 1 2.255 0.004 . 1 . . . A 45 ILE HB . 18229 1 527 . 1 1 45 45 ILE HG12 H 1 1.739 0.004 . 2 . . . A 45 ILE HG12 . 18229 1 528 . 1 1 45 45 ILE HG13 H 1 1.099 0.007 . 2 . . . A 45 ILE HG13 . 18229 1 529 . 1 1 45 45 ILE HG21 H 1 0.901 0.003 . 1 . . . A 45 ILE HG21 . 18229 1 530 . 1 1 45 45 ILE HG22 H 1 0.901 0.003 . 1 . . . A 45 ILE HG22 . 18229 1 531 . 1 1 45 45 ILE HG23 H 1 0.901 0.003 . 1 . . . A 45 ILE HG23 . 18229 1 532 . 1 1 45 45 ILE HD11 H 1 0.577 0.003 . 1 . . . A 45 ILE HD11 . 18229 1 533 . 1 1 45 45 ILE HD12 H 1 0.577 0.003 . 1 . . . A 45 ILE HD12 . 18229 1 534 . 1 1 45 45 ILE HD13 H 1 0.577 0.003 . 1 . . . A 45 ILE HD13 . 18229 1 535 . 1 1 45 45 ILE C C 13 174.103 . . 1 . . . A 45 ILE C . 18229 1 536 . 1 1 45 45 ILE CA C 13 57.970 0.017 . 1 . . . A 45 ILE CA . 18229 1 537 . 1 1 45 45 ILE CB C 13 36.560 0.007 . 1 . . . A 45 ILE CB . 18229 1 538 . 1 1 45 45 ILE CG1 C 13 27.081 0.021 . 1 . . . A 45 ILE CG1 . 18229 1 539 . 1 1 45 45 ILE CG2 C 13 19.003 0.037 . 1 . . . A 45 ILE CG2 . 18229 1 540 . 1 1 45 45 ILE CD1 C 13 8.791 0.01 . 1 . . . A 45 ILE CD1 . 18229 1 541 . 1 1 45 45 ILE N N 15 120.322 . . 1 . . . A 45 ILE N . 18229 1 542 . 1 1 46 46 ASP H H 1 9.262 . . 1 . . . A 46 ASP H . 18229 1 543 . 1 1 46 46 ASP HA H 1 4.711 0.005 . 1 . . . A 46 ASP HA . 18229 1 544 . 1 1 46 46 ASP HB2 H 1 2.513 0.006 . 2 . . . A 46 ASP HB2 . 18229 1 545 . 1 1 46 46 ASP HB3 H 1 2.434 0.004 . 2 . . . A 46 ASP HB3 . 18229 1 546 . 1 1 46 46 ASP C C 13 175.431 . . 1 . . . A 46 ASP C . 18229 1 547 . 1 1 46 46 ASP CA C 13 54.833 0.027 . 1 . . . A 46 ASP CA . 18229 1 548 . 1 1 46 46 ASP CB C 13 44.535 0.025 . 1 . . . A 46 ASP CB . 18229 1 549 . 1 1 46 46 ASP N N 15 126.492 . . 1 . . . A 46 ASP N . 18229 1 550 . 1 1 47 47 LYS H H 1 7.572 . . 1 . . . A 47 LYS H . 18229 1 551 . 1 1 47 47 LYS HA H 1 4.707 0.005 . 1 . . . A 47 LYS HA . 18229 1 552 . 1 1 47 47 LYS HB2 H 1 1.735 0.002 . 2 . . . A 47 LYS HB2 . 18229 1 553 . 1 1 47 47 LYS HB3 H 1 1.616 0.002 . 2 . . . A 47 LYS HB3 . 18229 1 554 . 1 1 47 47 LYS HG2 H 1 1.289 0.005 . 1 . . . A 47 LYS HG2 . 18229 1 555 . 1 1 47 47 LYS HG3 H 1 1.289 0.005 . 1 . . . A 47 LYS HG3 . 18229 1 556 . 1 1 47 47 LYS HD2 H 1 1.693 0.003 . 2 . . . A 47 LYS HD2 . 18229 1 557 . 1 1 47 47 LYS HD3 H 1 1.611 0.002 . 2 . . . A 47 LYS HD3 . 18229 1 558 . 1 1 47 47 LYS HE2 H 1 2.927 0.002 . 2 . . . A 47 LYS HE2 . 18229 1 559 . 1 1 47 47 LYS HE3 H 1 2.876 0.009 . 2 . . . A 47 LYS HE3 . 18229 1 560 . 1 1 47 47 LYS C C 13 172.673 . . 1 . . . A 47 LYS C . 18229 1 561 . 1 1 47 47 LYS CA C 13 54.821 0.056 . 1 . . . A 47 LYS CA . 18229 1 562 . 1 1 47 47 LYS CB C 13 36.609 0.037 . 1 . . . A 47 LYS CB . 18229 1 563 . 1 1 47 47 LYS CG C 13 24.543 0.029 . 1 . . . A 47 LYS CG . 18229 1 564 . 1 1 47 47 LYS CD C 13 29.643 0.028 . 1 . . . A 47 LYS CD . 18229 1 565 . 1 1 47 47 LYS CE C 13 42.061 0.027 . 1 . . . A 47 LYS CE . 18229 1 566 . 1 1 47 47 LYS N N 15 112.726 . . 1 . . . A 47 LYS N . 18229 1 567 . 1 1 48 48 LEU H H 1 9.013 . . 1 . . . A 48 LEU H . 18229 1 568 . 1 1 48 48 LEU HA H 1 5.051 0.005 . 1 . . . A 48 LEU HA . 18229 1 569 . 1 1 48 48 LEU HB2 H 1 1.187 0.007 . 2 . . . A 48 LEU HB2 . 18229 1 570 . 1 1 48 48 LEU HB3 H 1 1.875 0.008 . 2 . . . A 48 LEU HB3 . 18229 1 571 . 1 1 48 48 LEU HG H 1 1.464 0.008 . 1 . . . A 48 LEU HG . 18229 1 572 . 1 1 48 48 LEU HD11 H 1 1.013 0.005 . 2 . . . A 48 LEU HD11 . 18229 1 573 . 1 1 48 48 LEU HD12 H 1 1.013 0.005 . 2 . . . A 48 LEU HD12 . 18229 1 574 . 1 1 48 48 LEU HD13 H 1 1.013 0.005 . 2 . . . A 48 LEU HD13 . 18229 1 575 . 1 1 48 48 LEU HD21 H 1 0.855 0.005 . 2 . . . A 48 LEU HD21 . 18229 1 576 . 1 1 48 48 LEU HD22 H 1 0.855 0.005 . 2 . . . A 48 LEU HD22 . 18229 1 577 . 1 1 48 48 LEU HD23 H 1 0.855 0.005 . 2 . . . A 48 LEU HD23 . 18229 1 578 . 1 1 48 48 LEU C C 13 173.965 . . 1 . . . A 48 LEU C . 18229 1 579 . 1 1 48 48 LEU CA C 13 53.020 0.048 . 1 . . . A 48 LEU CA . 18229 1 580 . 1 1 48 48 LEU CB C 13 45.564 0.04 . 1 . . . A 48 LEU CB . 18229 1 581 . 1 1 48 48 LEU CG C 13 27.620 0.017 . 1 . . . A 48 LEU CG . 18229 1 582 . 1 1 48 48 LEU CD1 C 13 24.503 0.045 . 2 . . . A 48 LEU CD1 . 18229 1 583 . 1 1 48 48 LEU CD2 C 13 27.103 0.032 . 2 . . . A 48 LEU CD2 . 18229 1 584 . 1 1 48 48 LEU N N 15 124.840 . . 1 . . . A 48 LEU N . 18229 1 585 . 1 1 49 49 GLN H H 1 9.260 . . 1 . . . A 49 GLN H . 18229 1 586 . 1 1 49 49 GLN HA H 1 5.518 0.004 . 1 . . . A 49 GLN HA . 18229 1 587 . 1 1 49 49 GLN HB2 H 1 1.913 0.018 . 1 . . . A 49 GLN HB2 . 18229 1 588 . 1 1 49 49 GLN HB3 H 1 1.913 0.018 . 1 . . . A 49 GLN HB3 . 18229 1 589 . 1 1 49 49 GLN HG2 H 1 2.442 0.009 . 2 . . . A 49 GLN HG2 . 18229 1 590 . 1 1 49 49 GLN HG3 H 1 1.912 0.006 . 2 . . . A 49 GLN HG3 . 18229 1 591 . 1 1 49 49 GLN HE21 H 1 7.810 . . 1 . . . A 49 GLN HE21 . 18229 1 592 . 1 1 49 49 GLN HE22 H 1 6.939 . . 1 . . . A 49 GLN HE22 . 18229 1 593 . 1 1 49 49 GLN C C 13 174.700 . . 1 . . . A 49 GLN C . 18229 1 594 . 1 1 49 49 GLN CA C 13 53.599 0.009 . 1 . . . A 49 GLN CA . 18229 1 595 . 1 1 49 49 GLN CB C 13 34.026 . . 1 . . . A 49 GLN CB . 18229 1 596 . 1 1 49 49 GLN CG C 13 33.756 0.042 . 1 . . . A 49 GLN CG . 18229 1 597 . 1 1 49 49 GLN N N 15 121.648 . . 1 . . . A 49 GLN N . 18229 1 598 . 1 1 49 49 GLN NE2 N 15 112.398 . . 1 . . . A 49 GLN NE2 . 18229 1 599 . 1 1 50 50 ALA H H 1 9.286 . . 1 . . . A 50 ALA H . 18229 1 600 . 1 1 50 50 ALA HA H 1 5.747 0.004 . 1 . . . A 50 ALA HA . 18229 1 601 . 1 1 50 50 ALA HB1 H 1 1.381 0.002 . 1 . . . A 50 ALA HB1 . 18229 1 602 . 1 1 50 50 ALA HB2 H 1 1.381 0.002 . 1 . . . A 50 ALA HB2 . 18229 1 603 . 1 1 50 50 ALA HB3 H 1 1.381 0.002 . 1 . . . A 50 ALA HB3 . 18229 1 604 . 1 1 50 50 ALA C C 13 177.167 . . 1 . . . A 50 ALA C . 18229 1 605 . 1 1 50 50 ALA CA C 13 50.592 0.029 . 1 . . . A 50 ALA CA . 18229 1 606 . 1 1 50 50 ALA CB C 13 24.363 0.039 . 1 . . . A 50 ALA CB . 18229 1 607 . 1 1 50 50 ALA N N 15 122.020 . . 1 . . . A 50 ALA N . 18229 1 608 . 1 1 51 51 THR H H 1 8.340 . . 1 . . . A 51 THR H . 18229 1 609 . 1 1 51 51 THR HA H 1 4.735 0.003 . 1 . . . A 51 THR HA . 18229 1 610 . 1 1 51 51 THR HB H 1 4.237 0.004 . 1 . . . A 51 THR HB . 18229 1 611 . 1 1 51 51 THR HG21 H 1 0.838 0.008 . 1 . . . A 51 THR HG21 . 18229 1 612 . 1 1 51 51 THR HG22 H 1 0.838 0.008 . 1 . . . A 51 THR HG22 . 18229 1 613 . 1 1 51 51 THR HG23 H 1 0.838 0.008 . 1 . . . A 51 THR HG23 . 18229 1 614 . 1 1 51 51 THR CA C 13 59.228 0.038 . 1 . . . A 51 THR CA . 18229 1 615 . 1 1 51 51 THR CB C 13 67.954 0.04 . 1 . . . A 51 THR CB . 18229 1 616 . 1 1 51 51 THR CG2 C 13 23.448 0.048 . 1 . . . A 51 THR CG2 . 18229 1 617 . 1 1 51 51 THR N N 15 114.222 . . 1 . . . A 51 THR N . 18229 1 618 . 1 1 52 52 PRO HA H 1 4.570 0.002 . 1 . . . A 52 PRO HA . 18229 1 619 . 1 1 52 52 PRO HB2 H 1 2.012 0.003 . 2 . . . A 52 PRO HB2 . 18229 1 620 . 1 1 52 52 PRO HB3 H 1 2.402 0.004 . 2 . . . A 52 PRO HB3 . 18229 1 621 . 1 1 52 52 PRO HG2 H 1 2.011 0.008 . 2 . . . A 52 PRO HG2 . 18229 1 622 . 1 1 52 52 PRO HG3 H 1 1.957 0.006 . 2 . . . A 52 PRO HG3 . 18229 1 623 . 1 1 52 52 PRO C C 13 178.621 . . 1 . . . A 52 PRO C . 18229 1 624 . 1 1 52 52 PRO CA C 13 62.428 0.014 . 1 . . . A 52 PRO CA . 18229 1 625 . 1 1 52 52 PRO CB C 13 32.719 0.05 . 1 . . . A 52 PRO CB . 18229 1 626 . 1 1 52 52 PRO CG C 13 27.537 0.039 . 1 . . . A 52 PRO CG . 18229 1 627 . 1 1 52 52 PRO CD C 13 51.275 . . 1 . . . A 52 PRO CD . 18229 1 628 . 1 1 53 53 ALA H H 1 9.109 . . 1 . . . A 53 ALA H . 18229 1 629 . 1 1 53 53 ALA HA H 1 4.055 0.001 . 1 . . . A 53 ALA HA . 18229 1 630 . 1 1 53 53 ALA HB1 H 1 1.444 0.004 . 1 . . . A 53 ALA HB1 . 18229 1 631 . 1 1 53 53 ALA HB2 H 1 1.444 0.004 . 1 . . . A 53 ALA HB2 . 18229 1 632 . 1 1 53 53 ALA HB3 H 1 1.444 0.004 . 1 . . . A 53 ALA HB3 . 18229 1 633 . 1 1 53 53 ALA C C 13 177.578 . . 1 . . . A 53 ALA C . 18229 1 634 . 1 1 53 53 ALA CA C 13 54.820 0.028 . 1 . . . A 53 ALA CA . 18229 1 635 . 1 1 53 53 ALA CB C 13 17.857 0.079 . 1 . . . A 53 ALA CB . 18229 1 636 . 1 1 53 53 ALA N N 15 126.566 . . 1 . . . A 53 ALA N . 18229 1 637 . 1 1 54 54 SER H H 1 7.595 . . 1 . . . A 54 SER H . 18229 1 638 . 1 1 54 54 SER HA H 1 4.235 0.003 . 1 . . . A 54 SER HA . 18229 1 639 . 1 1 54 54 SER HB2 H 1 4.055 0.001 . 2 . . . A 54 SER HB2 . 18229 1 640 . 1 1 54 54 SER HB3 H 1 3.804 0.004 . 2 . . . A 54 SER HB3 . 18229 1 641 . 1 1 54 54 SER C C 13 174.838 . . 1 . . . A 54 SER C . 18229 1 642 . 1 1 54 54 SER CA C 13 58.116 0.019 . 1 . . . A 54 SER CA . 18229 1 643 . 1 1 54 54 SER CB C 13 63.021 0.025 . 1 . . . A 54 SER CB . 18229 1 644 . 1 1 54 54 SER N N 15 107.184 . . 1 . . . A 54 SER N . 18229 1 645 . 1 1 55 55 SER H H 1 7.613 . . 1 . . . A 55 SER H . 18229 1 646 . 1 1 55 55 SER HA H 1 4.484 0.003 . 1 . . . A 55 SER HA . 18229 1 647 . 1 1 55 55 SER HB2 H 1 3.953 0.007 . 2 . . . A 55 SER HB2 . 18229 1 648 . 1 1 55 55 SER HB3 H 1 3.873 0.005 . 2 . . . A 55 SER HB3 . 18229 1 649 . 1 1 55 55 SER C C 13 174.833 . . 1 . . . A 55 SER C . 18229 1 650 . 1 1 55 55 SER CA C 13 57.510 0.004 . 1 . . . A 55 SER CA . 18229 1 651 . 1 1 55 55 SER CB C 13 64.121 0.058 . 1 . . . A 55 SER CB . 18229 1 652 . 1 1 55 55 SER N N 15 117.098 . . 1 . . . A 55 SER N . 18229 1 653 . 1 1 56 56 GLU H H 1 8.849 . . 1 . . . A 56 GLU H . 18229 1 654 . 1 1 56 56 GLU HA H 1 4.129 0.009 . 1 . . . A 56 GLU HA . 18229 1 655 . 1 1 56 56 GLU HB2 H 1 2.185 0.016 . 2 . . . A 56 GLU HB2 . 18229 1 656 . 1 1 56 56 GLU HB3 H 1 1.987 0.001 . 2 . . . A 56 GLU HB3 . 18229 1 657 . 1 1 56 56 GLU HG2 H 1 2.282 0.009 . 2 . . . A 56 GLU HG2 . 18229 1 658 . 1 1 56 56 GLU HG3 H 1 2.394 0.007 . 2 . . . A 56 GLU HG3 . 18229 1 659 . 1 1 56 56 GLU C C 13 177.852 . . 1 . . . A 56 GLU C . 18229 1 660 . 1 1 56 56 GLU CA C 13 57.612 0.052 . 1 . . . A 56 GLU CA . 18229 1 661 . 1 1 56 56 GLU CB C 13 29.424 0.042 . 1 . . . A 56 GLU CB . 18229 1 662 . 1 1 56 56 GLU CG C 13 36.199 0.047 . 1 . . . A 56 GLU CG . 18229 1 663 . 1 1 56 56 GLU N N 15 125.258 . . 1 . . . A 56 GLU N . 18229 1 664 . 1 1 57 57 LYS H H 1 8.060 . . 1 . . . A 57 LYS H . 18229 1 665 . 1 1 57 57 LYS HA H 1 4.299 0.003 . 1 . . . A 57 LYS HA . 18229 1 666 . 1 1 57 57 LYS HB2 H 1 1.753 0.005 . 2 . . . A 57 LYS HB2 . 18229 1 667 . 1 1 57 57 LYS HB3 H 1 1.660 0.007 . 2 . . . A 57 LYS HB3 . 18229 1 668 . 1 1 57 57 LYS HG2 H 1 1.454 0.005 . 2 . . . A 57 LYS HG2 . 18229 1 669 . 1 1 57 57 LYS HG3 H 1 1.394 0.004 . 2 . . . A 57 LYS HG3 . 18229 1 670 . 1 1 57 57 LYS HD2 H 1 1.570 0.003 . 2 . . . A 57 LYS HD2 . 18229 1 671 . 1 1 57 57 LYS HD3 H 1 1.632 0.011 . 2 . . . A 57 LYS HD3 . 18229 1 672 . 1 1 57 57 LYS HE2 H 1 2.944 0.003 . 2 . . . A 57 LYS HE2 . 18229 1 673 . 1 1 57 57 LYS HE3 H 1 2.943 0.003 . 2 . . . A 57 LYS HE3 . 18229 1 674 . 1 1 57 57 LYS C C 13 175.699 . . 1 . . . A 57 LYS C . 18229 1 675 . 1 1 57 57 LYS CA C 13 55.645 0.041 . 1 . . . A 57 LYS CA . 18229 1 676 . 1 1 57 57 LYS CB C 13 33.270 0.035 . 1 . . . A 57 LYS CB . 18229 1 677 . 1 1 57 57 LYS CG C 13 25.286 0.062 . 1 . . . A 57 LYS CG . 18229 1 678 . 1 1 57 57 LYS CD C 13 28.758 0.029 . 1 . . . A 57 LYS CD . 18229 1 679 . 1 1 57 57 LYS CE C 13 42.052 0.051 . 1 . . . A 57 LYS CE . 18229 1 680 . 1 1 57 57 LYS N N 15 119.058 . . 1 . . . A 57 LYS N . 18229 1 681 . 1 1 58 58 MET H H 1 8.828 . . 1 . . . A 58 MET H . 18229 1 682 . 1 1 58 58 MET HA H 1 4.345 0.004 . 1 . . . A 58 MET HA . 18229 1 683 . 1 1 58 58 MET HB2 H 1 2.448 0.005 . 2 . . . A 58 MET HB2 . 18229 1 684 . 1 1 58 58 MET HB3 H 1 2.133 0.005 . 2 . . . A 58 MET HB3 . 18229 1 685 . 1 1 58 58 MET HG2 H 1 2.285 . . 2 . . . A 58 MET HG2 . 18229 1 686 . 1 1 58 58 MET HG3 H 1 2.038 . . 2 . . . A 58 MET HG3 . 18229 1 687 . 1 1 58 58 MET HE1 H 1 2.138 0.002 . 1 . . . A 58 MET HE1 . 18229 1 688 . 1 1 58 58 MET HE2 H 1 2.138 0.002 . 1 . . . A 58 MET HE2 . 18229 1 689 . 1 1 58 58 MET HE3 H 1 2.138 0.002 . 1 . . . A 58 MET HE3 . 18229 1 690 . 1 1 58 58 MET C C 13 174.213 . . 1 . . . A 58 MET C . 18229 1 691 . 1 1 58 58 MET CA C 13 55.170 0.025 . 1 . . . A 58 MET CA . 18229 1 692 . 1 1 58 58 MET CB C 13 35.330 0.012 . 1 . . . A 58 MET CB . 18229 1 693 . 1 1 58 58 MET CE C 13 19.120 0.033 . 1 . . . A 58 MET CE . 18229 1 694 . 1 1 58 58 MET N N 15 123.967 . . 1 . . . A 58 MET N . 18229 1 695 . 1 1 59 59 MET H H 1 8.528 . . 1 . . . A 59 MET H . 18229 1 696 . 1 1 59 59 MET HA H 1 5.905 0.005 . 1 . . . A 59 MET HA . 18229 1 697 . 1 1 59 59 MET HB2 H 1 1.993 0.008 . 2 . . . A 59 MET HB2 . 18229 1 698 . 1 1 59 59 MET HB3 H 1 2.294 0.011 . 2 . . . A 59 MET HB3 . 18229 1 699 . 1 1 59 59 MET HG2 H 1 2.859 0.007 . 2 . . . A 59 MET HG2 . 18229 1 700 . 1 1 59 59 MET HG3 H 1 2.389 0.008 . 2 . . . A 59 MET HG3 . 18229 1 701 . 1 1 59 59 MET HE1 H 1 1.873 0.004 . 1 . . . A 59 MET HE1 . 18229 1 702 . 1 1 59 59 MET HE2 H 1 1.873 0.004 . 1 . . . A 59 MET HE2 . 18229 1 703 . 1 1 59 59 MET HE3 H 1 1.873 0.004 . 1 . . . A 59 MET HE3 . 18229 1 704 . 1 1 59 59 MET C C 13 174.521 . . 1 . . . A 59 MET C . 18229 1 705 . 1 1 59 59 MET CA C 13 55.038 0.022 . 1 . . . A 59 MET CA . 18229 1 706 . 1 1 59 59 MET CB C 13 39.549 0.035 . 1 . . . A 59 MET CB . 18229 1 707 . 1 1 59 59 MET CG C 13 32.674 0.064 . 1 . . . A 59 MET CG . 18229 1 708 . 1 1 59 59 MET CE C 13 17.777 0.028 . 1 . . . A 59 MET CE . 18229 1 709 . 1 1 59 59 MET N N 15 120.929 . . 1 . . . A 59 MET N . 18229 1 710 . 1 1 60 60 LEU H H 1 9.052 . . 1 . . . A 60 LEU H . 18229 1 711 . 1 1 60 60 LEU HA H 1 5.665 0.004 . 1 . . . A 60 LEU HA . 18229 1 712 . 1 1 60 60 LEU HB2 H 1 1.900 0.005 . 2 . . . A 60 LEU HB2 . 18229 1 713 . 1 1 60 60 LEU HB3 H 1 1.660 0.003 . 2 . . . A 60 LEU HB3 . 18229 1 714 . 1 1 60 60 LEU HG H 1 1.936 0.006 . 1 . . . A 60 LEU HG . 18229 1 715 . 1 1 60 60 LEU HD11 H 1 0.891 0.003 . 2 . . . A 60 LEU HD11 . 18229 1 716 . 1 1 60 60 LEU HD12 H 1 0.891 0.003 . 2 . . . A 60 LEU HD12 . 18229 1 717 . 1 1 60 60 LEU HD13 H 1 0.891 0.003 . 2 . . . A 60 LEU HD13 . 18229 1 718 . 1 1 60 60 LEU HD21 H 1 1.104 0.002 . 2 . . . A 60 LEU HD21 . 18229 1 719 . 1 1 60 60 LEU HD22 H 1 1.104 0.002 . 2 . . . A 60 LEU HD22 . 18229 1 720 . 1 1 60 60 LEU HD23 H 1 1.104 0.002 . 2 . . . A 60 LEU HD23 . 18229 1 721 . 1 1 60 60 LEU C C 13 175.763 . . 1 . . . A 60 LEU C . 18229 1 722 . 1 1 60 60 LEU CA C 13 53.185 0.031 . 1 . . . A 60 LEU CA . 18229 1 723 . 1 1 60 60 LEU CB C 13 47.561 0.056 . 1 . . . A 60 LEU CB . 18229 1 724 . 1 1 60 60 LEU CG C 13 26.826 0.091 . 1 . . . A 60 LEU CG . 18229 1 725 . 1 1 60 60 LEU CD1 C 13 25.925 0.021 . 2 . . . A 60 LEU CD1 . 18229 1 726 . 1 1 60 60 LEU CD2 C 13 24.671 0.033 . 2 . . . A 60 LEU CD2 . 18229 1 727 . 1 1 60 60 LEU N N 15 117.623 . . 1 . . . A 60 LEU N . 18229 1 728 . 1 1 61 61 ARG H H 1 9.180 . . 1 . . . A 61 ARG H . 18229 1 729 . 1 1 61 61 ARG HA H 1 5.471 0.006 . 1 . . . A 61 ARG HA . 18229 1 730 . 1 1 61 61 ARG HB2 H 1 1.345 0.004 . 2 . . . A 61 ARG HB2 . 18229 1 731 . 1 1 61 61 ARG HB3 H 1 0.956 0.005 . 2 . . . A 61 ARG HB3 . 18229 1 732 . 1 1 61 61 ARG HG2 H 1 1.463 . . 1 . . . A 61 ARG HG2 . 18229 1 733 . 1 1 61 61 ARG HG3 H 1 1.463 . . 1 . . . A 61 ARG HG3 . 18229 1 734 . 1 1 61 61 ARG HD2 H 1 3.107 0.002 . 1 . . . A 61 ARG HD2 . 18229 1 735 . 1 1 61 61 ARG HD3 H 1 3.107 0.002 . 1 . . . A 61 ARG HD3 . 18229 1 736 . 1 1 61 61 ARG C C 13 173.286 . . 1 . . . A 61 ARG C . 18229 1 737 . 1 1 61 61 ARG CA C 13 54.931 0.052 . 1 . . . A 61 ARG CA . 18229 1 738 . 1 1 61 61 ARG CB C 13 35.335 0.031 . 1 . . . A 61 ARG CB . 18229 1 739 . 1 1 61 61 ARG CD C 13 43.280 . . 1 . . . A 61 ARG CD . 18229 1 740 . 1 1 61 61 ARG N N 15 120.407 . . 1 . . . A 61 ARG N . 18229 1 741 . 1 1 62 62 LEU H H 1 9.203 . . 1 . . . A 62 LEU H . 18229 1 742 . 1 1 62 62 LEU HA H 1 5.198 0.006 . 1 . . . A 62 LEU HA . 18229 1 743 . 1 1 62 62 LEU HB2 H 1 1.739 0.007 . 2 . . . A 62 LEU HB2 . 18229 1 744 . 1 1 62 62 LEU HB3 H 1 1.853 0.009 . 2 . . . A 62 LEU HB3 . 18229 1 745 . 1 1 62 62 LEU HG H 1 1.847 0.003 . 1 . . . A 62 LEU HG . 18229 1 746 . 1 1 62 62 LEU HD11 H 1 1.030 0.003 . 2 . . . A 62 LEU HD11 . 18229 1 747 . 1 1 62 62 LEU HD12 H 1 1.030 0.003 . 2 . . . A 62 LEU HD12 . 18229 1 748 . 1 1 62 62 LEU HD13 H 1 1.030 0.003 . 2 . . . A 62 LEU HD13 . 18229 1 749 . 1 1 62 62 LEU HD21 H 1 0.957 0.005 . 2 . . . A 62 LEU HD21 . 18229 1 750 . 1 1 62 62 LEU HD22 H 1 0.957 0.005 . 2 . . . A 62 LEU HD22 . 18229 1 751 . 1 1 62 62 LEU HD23 H 1 0.957 0.005 . 2 . . . A 62 LEU HD23 . 18229 1 752 . 1 1 62 62 LEU C C 13 175.447 . . 1 . . . A 62 LEU C . 18229 1 753 . 1 1 62 62 LEU CA C 13 54.408 0.037 . 1 . . . A 62 LEU CA . 18229 1 754 . 1 1 62 62 LEU CB C 13 43.433 0.013 . 1 . . . A 62 LEU CB . 18229 1 755 . 1 1 62 62 LEU CG C 13 29.255 0.059 . 1 . . . A 62 LEU CG . 18229 1 756 . 1 1 62 62 LEU CD1 C 13 27.519 0.011 . 2 . . . A 62 LEU CD1 . 18229 1 757 . 1 1 62 62 LEU CD2 C 13 25.494 0.022 . 2 . . . A 62 LEU CD2 . 18229 1 758 . 1 1 62 62 LEU N N 15 126.471 . . 1 . . . A 62 LEU N . 18229 1 759 . 1 1 63 63 ILE H H 1 8.983 . . 1 . . . A 63 ILE H . 18229 1 760 . 1 1 63 63 ILE HA H 1 4.697 0.005 . 1 . . . A 63 ILE HA . 18229 1 761 . 1 1 63 63 ILE HB H 1 1.904 0.006 . 1 . . . A 63 ILE HB . 18229 1 762 . 1 1 63 63 ILE HG12 H 1 1.263 0.002 . 2 . . . A 63 ILE HG12 . 18229 1 763 . 1 1 63 63 ILE HG13 H 1 0.983 0.005 . 2 . . . A 63 ILE HG13 . 18229 1 764 . 1 1 63 63 ILE HG21 H 1 1.049 0.002 . 1 . . . A 63 ILE HG21 . 18229 1 765 . 1 1 63 63 ILE HG22 H 1 1.049 0.002 . 1 . . . A 63 ILE HG22 . 18229 1 766 . 1 1 63 63 ILE HG23 H 1 1.049 0.002 . 1 . . . A 63 ILE HG23 . 18229 1 767 . 1 1 63 63 ILE HD11 H 1 0.614 0.002 . 1 . . . A 63 ILE HD11 . 18229 1 768 . 1 1 63 63 ILE HD12 H 1 0.614 0.002 . 1 . . . A 63 ILE HD12 . 18229 1 769 . 1 1 63 63 ILE HD13 H 1 0.614 0.002 . 1 . . . A 63 ILE HD13 . 18229 1 770 . 1 1 63 63 ILE C C 13 176.525 . . 1 . . . A 63 ILE C . 18229 1 771 . 1 1 63 63 ILE CA C 13 59.676 0.015 . 1 . . . A 63 ILE CA . 18229 1 772 . 1 1 63 63 ILE CB C 13 38.705 0.058 . 1 . . . A 63 ILE CB . 18229 1 773 . 1 1 63 63 ILE CG1 C 13 27.281 0.032 . 1 . . . A 63 ILE CG1 . 18229 1 774 . 1 1 63 63 ILE CG2 C 13 17.446 0.04 . 1 . . . A 63 ILE CG2 . 18229 1 775 . 1 1 63 63 ILE CD1 C 13 11.729 0.017 . 1 . . . A 63 ILE CD1 . 18229 1 776 . 1 1 63 63 ILE N N 15 123.282 . . 1 . . . A 63 ILE N . 18229 1 777 . 1 1 64 64 GLY H H 1 9.372 . . 1 . . . A 64 GLY H . 18229 1 778 . 1 1 64 64 GLY HA2 H 1 3.962 . . 2 . . . A 64 GLY HA2 . 18229 1 779 . 1 1 64 64 GLY HA3 H 1 4.006 0.001 . 2 . . . A 64 GLY HA3 . 18229 1 780 . 1 1 64 64 GLY C C 13 172.300 . . 1 . . . A 64 GLY C . 18229 1 781 . 1 1 64 64 GLY CA C 13 45.662 . . 1 . . . A 64 GLY CA . 18229 1 782 . 1 1 64 64 GLY N N 15 115.647 . . 1 . . . A 64 GLY N . 18229 1 783 . 1 1 65 65 LYS H H 1 8.289 . . 1 . . . A 65 LYS H . 18229 1 784 . 1 1 65 65 LYS HA H 1 4.306 0.004 . 1 . . . A 65 LYS HA . 18229 1 785 . 1 1 65 65 LYS HB2 H 1 1.882 0.002 . 2 . . . A 65 LYS HB2 . 18229 1 786 . 1 1 65 65 LYS HB3 H 1 1.610 0.003 . 2 . . . A 65 LYS HB3 . 18229 1 787 . 1 1 65 65 LYS HG2 H 1 1.261 0.006 . 2 . . . A 65 LYS HG2 . 18229 1 788 . 1 1 65 65 LYS HG3 H 1 1.416 0.004 . 2 . . . A 65 LYS HG3 . 18229 1 789 . 1 1 65 65 LYS HD2 H 1 1.691 0.003 . 2 . . . A 65 LYS HD2 . 18229 1 790 . 1 1 65 65 LYS HD3 H 1 1.610 0.002 . 2 . . . A 65 LYS HD3 . 18229 1 791 . 1 1 65 65 LYS HE2 H 1 2.935 0.006 . 2 . . . A 65 LYS HE2 . 18229 1 792 . 1 1 65 65 LYS HE3 H 1 2.865 0.002 . 2 . . . A 65 LYS HE3 . 18229 1 793 . 1 1 65 65 LYS C C 13 177.404 . . 1 . . . A 65 LYS C . 18229 1 794 . 1 1 65 65 LYS CA C 13 56.501 0.026 . 1 . . . A 65 LYS CA . 18229 1 795 . 1 1 65 65 LYS CB C 13 34.418 0.036 . 1 . . . A 65 LYS CB . 18229 1 796 . 1 1 65 65 LYS CG C 13 26.113 0.044 . 1 . . . A 65 LYS CG . 18229 1 797 . 1 1 65 65 LYS CD C 13 29.623 0.035 . 1 . . . A 65 LYS CD . 18229 1 798 . 1 1 65 65 LYS CE C 13 42.045 0.042 . 1 . . . A 65 LYS CE . 18229 1 799 . 1 1 65 65 LYS N N 15 119.107 . . 1 . . . A 65 LYS N . 18229 1 800 . 1 1 66 66 VAL H H 1 8.607 . . 1 . . . A 66 VAL H . 18229 1 801 . 1 1 66 66 VAL HA H 1 4.079 0.003 . 1 . . . A 66 VAL HA . 18229 1 802 . 1 1 66 66 VAL HB H 1 1.964 0.004 . 1 . . . A 66 VAL HB . 18229 1 803 . 1 1 66 66 VAL HG11 H 1 0.834 0.002 . 2 . . . A 66 VAL HG11 . 18229 1 804 . 1 1 66 66 VAL HG12 H 1 0.834 0.002 . 2 . . . A 66 VAL HG12 . 18229 1 805 . 1 1 66 66 VAL HG13 H 1 0.834 0.002 . 2 . . . A 66 VAL HG13 . 18229 1 806 . 1 1 66 66 VAL HG21 H 1 0.899 0.002 . 2 . . . A 66 VAL HG21 . 18229 1 807 . 1 1 66 66 VAL HG22 H 1 0.899 0.002 . 2 . . . A 66 VAL HG22 . 18229 1 808 . 1 1 66 66 VAL HG23 H 1 0.899 0.002 . 2 . . . A 66 VAL HG23 . 18229 1 809 . 1 1 66 66 VAL C C 13 175.253 . . 1 . . . A 66 VAL C . 18229 1 810 . 1 1 66 66 VAL CA C 13 62.136 0.027 . 1 . . . A 66 VAL CA . 18229 1 811 . 1 1 66 66 VAL CB C 13 33.284 0.02 . 1 . . . A 66 VAL CB . 18229 1 812 . 1 1 66 66 VAL CG1 C 13 21.048 0.051 . 2 . . . A 66 VAL CG1 . 18229 1 813 . 1 1 66 66 VAL CG2 C 13 21.274 0.03 . 2 . . . A 66 VAL CG2 . 18229 1 814 . 1 1 66 66 VAL N N 15 122.231 . . 1 . . . A 66 VAL N . 18229 1 815 . 1 1 67 67 ASP H H 1 8.457 . . 1 . . . A 67 ASP H . 18229 1 816 . 1 1 67 67 ASP HA H 1 4.699 0.003 . 1 . . . A 67 ASP HA . 18229 1 817 . 1 1 67 67 ASP HB2 H 1 2.829 0.003 . 2 . . . A 67 ASP HB2 . 18229 1 818 . 1 1 67 67 ASP HB3 H 1 2.584 0.001 . 2 . . . A 67 ASP HB3 . 18229 1 819 . 1 1 67 67 ASP C C 13 176.601 . . 1 . . . A 67 ASP C . 18229 1 820 . 1 1 67 67 ASP CA C 13 53.058 0.032 . 1 . . . A 67 ASP CA . 18229 1 821 . 1 1 67 67 ASP CB C 13 40.872 0.039 . 1 . . . A 67 ASP CB . 18229 1 822 . 1 1 67 67 ASP N N 15 125.538 . . 1 . . . A 67 ASP N . 18229 1 823 . 1 1 68 68 GLU H H 1 8.712 . . 1 . . . A 68 GLU H . 18229 1 824 . 1 1 68 68 GLU HA H 1 4.124 0.002 . 1 . . . A 68 GLU HA . 18229 1 825 . 1 1 68 68 GLU HB2 H 1 2.147 . . 2 . . . A 68 GLU HB2 . 18229 1 826 . 1 1 68 68 GLU HB3 H 1 1.952 . . 2 . . . A 68 GLU HB3 . 18229 1 827 . 1 1 68 68 GLU HG2 H 1 2.209 . . 2 . . . A 68 GLU HG2 . 18229 1 828 . 1 1 68 68 GLU HG3 H 1 2.322 . . 2 . . . A 68 GLU HG3 . 18229 1 829 . 1 1 68 68 GLU C C 13 177.344 . . 1 . . . A 68 GLU C . 18229 1 830 . 1 1 68 68 GLU CA C 13 57.635 0.076 . 1 . . . A 68 GLU CA . 18229 1 831 . 1 1 68 68 GLU CB C 13 29.680 . . 1 . . . A 68 GLU CB . 18229 1 832 . 1 1 68 68 GLU CG C 13 36.350 . . 1 . . . A 68 GLU CG . 18229 1 833 . 1 1 68 68 GLU N N 15 124.433 . . 1 . . . A 68 GLU N . 18229 1 834 . 1 1 69 69 SER H H 1 8.467 . . 1 . . . A 69 SER H . 18229 1 835 . 1 1 69 69 SER HA H 1 4.328 0.001 . 1 . . . A 69 SER HA . 18229 1 836 . 1 1 69 69 SER HB2 H 1 3.989 0.004 . 2 . . . A 69 SER HB2 . 18229 1 837 . 1 1 69 69 SER HB3 H 1 3.934 0.0 . 2 . . . A 69 SER HB3 . 18229 1 838 . 1 1 69 69 SER C C 13 175.180 . . 1 . . . A 69 SER C . 18229 1 839 . 1 1 69 69 SER CA C 13 60.146 0.034 . 1 . . . A 69 SER CA . 18229 1 840 . 1 1 69 69 SER CB C 13 63.383 0.027 . 1 . . . A 69 SER CB . 18229 1 841 . 1 1 69 69 SER N N 15 115.596 . . 1 . . . A 69 SER N . 18229 1 842 . 1 1 70 70 LYS H H 1 7.675 . . 1 . . . A 70 LYS H . 18229 1 843 . 1 1 70 70 LYS HA H 1 4.406 0.003 . 1 . . . A 70 LYS HA . 18229 1 844 . 1 1 70 70 LYS HB2 H 1 1.935 0.003 . 2 . . . A 70 LYS HB2 . 18229 1 845 . 1 1 70 70 LYS HB3 H 1 1.759 0.008 . 2 . . . A 70 LYS HB3 . 18229 1 846 . 1 1 70 70 LYS HG2 H 1 1.355 0.005 . 2 . . . A 70 LYS HG2 . 18229 1 847 . 1 1 70 70 LYS HG3 H 1 1.466 0.004 . 2 . . . A 70 LYS HG3 . 18229 1 848 . 1 1 70 70 LYS HD2 H 1 1.672 0.011 . 2 . . . A 70 LYS HD2 . 18229 1 849 . 1 1 70 70 LYS HD3 H 1 1.670 0.011 . 2 . . . A 70 LYS HD3 . 18229 1 850 . 1 1 70 70 LYS HE2 H 1 2.997 0.004 . 2 . . . A 70 LYS HE2 . 18229 1 851 . 1 1 70 70 LYS HE3 H 1 2.997 0.004 . 2 . . . A 70 LYS HE3 . 18229 1 852 . 1 1 70 70 LYS C C 13 176.165 . . 1 . . . A 70 LYS C . 18229 1 853 . 1 1 70 70 LYS CA C 13 55.410 0.011 . 1 . . . A 70 LYS CA . 18229 1 854 . 1 1 70 70 LYS CB C 13 32.500 0.039 . 1 . . . A 70 LYS CB . 18229 1 855 . 1 1 70 70 LYS CG C 13 24.926 0.06 . 1 . . . A 70 LYS CG . 18229 1 856 . 1 1 70 70 LYS CD C 13 28.773 0.059 . 1 . . . A 70 LYS CD . 18229 1 857 . 1 1 70 70 LYS CE C 13 42.124 0.069 . 1 . . . A 70 LYS CE . 18229 1 858 . 1 1 70 70 LYS N N 15 121.738 . . 1 . . . A 70 LYS N . 18229 1 859 . 1 1 71 71 LYS H H 1 7.739 . . 1 . . . A 71 LYS H . 18229 1 860 . 1 1 71 71 LYS HA H 1 4.408 0.001 . 1 . . . A 71 LYS HA . 18229 1 861 . 1 1 71 71 LYS HB2 H 1 1.757 0.008 . 2 . . . A 71 LYS HB2 . 18229 1 862 . 1 1 71 71 LYS HB3 H 1 1.804 0.008 . 2 . . . A 71 LYS HB3 . 18229 1 863 . 1 1 71 71 LYS HG2 H 1 1.374 0.005 . 2 . . . A 71 LYS HG2 . 18229 1 864 . 1 1 71 71 LYS HG3 H 1 1.467 0.004 . 2 . . . A 71 LYS HG3 . 18229 1 865 . 1 1 71 71 LYS HD2 H 1 1.661 0.002 . 1 . . . A 71 LYS HD2 . 18229 1 866 . 1 1 71 71 LYS HD3 H 1 1.661 0.002 . 1 . . . A 71 LYS HD3 . 18229 1 867 . 1 1 71 71 LYS HE2 H 1 2.919 . . 1 . . . A 71 LYS HE2 . 18229 1 868 . 1 1 71 71 LYS HE3 H 1 2.919 . . 1 . . . A 71 LYS HE3 . 18229 1 869 . 1 1 71 71 LYS C C 13 176.134 . . 1 . . . A 71 LYS C . 18229 1 870 . 1 1 71 71 LYS CA C 13 56.605 0.038 . 1 . . . A 71 LYS CA . 18229 1 871 . 1 1 71 71 LYS CB C 13 33.283 0.031 . 1 . . . A 71 LYS CB . 18229 1 872 . 1 1 71 71 LYS CG C 13 25.112 0.043 . 1 . . . A 71 LYS CG . 18229 1 873 . 1 1 71 71 LYS CD C 13 29.287 . . 1 . . . A 71 LYS CD . 18229 1 874 . 1 1 71 71 LYS CE C 13 42.024 . . 1 . . . A 71 LYS CE . 18229 1 875 . 1 1 71 71 LYS N N 15 121.087 . . 1 . . . A 71 LYS N . 18229 1 876 . 1 1 72 72 ARG H H 1 8.402 . . 1 . . . A 72 ARG H . 18229 1 877 . 1 1 72 72 ARG HA H 1 4.584 0.002 . 1 . . . A 72 ARG HA . 18229 1 878 . 1 1 72 72 ARG HB2 H 1 1.760 0.002 . 2 . . . A 72 ARG HB2 . 18229 1 879 . 1 1 72 72 ARG HB3 H 1 1.881 0.002 . 2 . . . A 72 ARG HB3 . 18229 1 880 . 1 1 72 72 ARG HG2 H 1 1.568 0.013 . 2 . . . A 72 ARG HG2 . 18229 1 881 . 1 1 72 72 ARG HG3 H 1 1.590 0.012 . 2 . . . A 72 ARG HG3 . 18229 1 882 . 1 1 72 72 ARG HD2 H 1 3.198 0.004 . 2 . . . A 72 ARG HD2 . 18229 1 883 . 1 1 72 72 ARG HD3 H 1 3.198 0.004 . 2 . . . A 72 ARG HD3 . 18229 1 884 . 1 1 72 72 ARG C C 13 175.217 . . 1 . . . A 72 ARG C . 18229 1 885 . 1 1 72 72 ARG CA C 13 55.041 0.02 . 1 . . . A 72 ARG CA . 18229 1 886 . 1 1 72 72 ARG CB C 13 32.354 0.037 . 1 . . . A 72 ARG CB . 18229 1 887 . 1 1 72 72 ARG CG C 13 26.968 0.025 . 1 . . . A 72 ARG CG . 18229 1 888 . 1 1 72 72 ARG CD C 13 43.279 0.026 . 1 . . . A 72 ARG CD . 18229 1 889 . 1 1 72 72 ARG N N 15 122.147 . . 1 . . . A 72 ARG N . 18229 1 890 . 1 1 73 73 LYS H H 1 8.386 . . 1 . . . A 73 LYS H . 18229 1 891 . 1 1 73 73 LYS HA H 1 4.899 0.002 . 1 . . . A 73 LYS HA . 18229 1 892 . 1 1 73 73 LYS HB2 H 1 1.722 0.002 . 1 . . . A 73 LYS HB2 . 18229 1 893 . 1 1 73 73 LYS HB3 H 1 1.722 0.002 . 1 . . . A 73 LYS HB3 . 18229 1 894 . 1 1 73 73 LYS HG2 H 1 1.417 0.002 . 2 . . . A 73 LYS HG2 . 18229 1 895 . 1 1 73 73 LYS HG3 H 1 1.308 0.001 . 2 . . . A 73 LYS HG3 . 18229 1 896 . 1 1 73 73 LYS HD2 H 1 1.620 0.005 . 1 . . . A 73 LYS HD2 . 18229 1 897 . 1 1 73 73 LYS HD3 H 1 1.620 0.005 . 1 . . . A 73 LYS HD3 . 18229 1 898 . 1 1 73 73 LYS HE2 H 1 2.964 0.003 . 2 . . . A 73 LYS HE2 . 18229 1 899 . 1 1 73 73 LYS HE3 H 1 2.963 0.003 . 2 . . . A 73 LYS HE3 . 18229 1 900 . 1 1 73 73 LYS C C 13 176.966 . . 1 . . . A 73 LYS C . 18229 1 901 . 1 1 73 73 LYS CA C 13 55.365 0.028 . 1 . . . A 73 LYS CA . 18229 1 902 . 1 1 73 73 LYS CB C 13 34.631 0.045 . 1 . . . A 73 LYS CB . 18229 1 903 . 1 1 73 73 LYS CG C 13 25.230 0.008 . 1 . . . A 73 LYS CG . 18229 1 904 . 1 1 73 73 LYS CD C 13 29.169 0.045 . 1 . . . A 73 LYS CD . 18229 1 905 . 1 1 73 73 LYS CE C 13 41.959 0.0 . 1 . . . A 73 LYS CE . 18229 1 906 . 1 1 73 73 LYS N N 15 121.242 . . 1 . . . A 73 LYS N . 18229 1 907 . 1 1 74 74 ASP H H 1 8.559 . . 1 . . . A 74 ASP H . 18229 1 908 . 1 1 74 74 ASP HA H 1 4.651 0.001 . 1 . . . A 74 ASP HA . 18229 1 909 . 1 1 74 74 ASP HB2 H 1 3.170 0.002 . 2 . . . A 74 ASP HB2 . 18229 1 910 . 1 1 74 74 ASP HB3 H 1 2.641 0.001 . 2 . . . A 74 ASP HB3 . 18229 1 911 . 1 1 74 74 ASP C C 13 177.401 . . 1 . . . A 74 ASP C . 18229 1 912 . 1 1 74 74 ASP CA C 13 52.840 0.023 . 1 . . . A 74 ASP CA . 18229 1 913 . 1 1 74 74 ASP CB C 13 41.008 0.04 . 1 . . . A 74 ASP CB . 18229 1 914 . 1 1 74 74 ASP N N 15 122.007 . . 1 . . . A 74 ASP N . 18229 1 915 . 1 1 75 75 ASN H H 1 8.414 . . 1 . . . A 75 ASN H . 18229 1 916 . 1 1 75 75 ASN HA H 1 4.535 0.001 . 1 . . . A 75 ASN HA . 18229 1 917 . 1 1 75 75 ASN HB2 H 1 2.863 0.001 . 1 . . . A 75 ASN HB2 . 18229 1 918 . 1 1 75 75 ASN HB3 H 1 2.863 0.001 . 1 . . . A 75 ASN HB3 . 18229 1 919 . 1 1 75 75 ASN HD21 H 1 6.931 . . 1 . . . A 75 ASN HD21 . 18229 1 920 . 1 1 75 75 ASN HD22 H 1 7.630 . . 1 . . . A 75 ASN HD22 . 18229 1 921 . 1 1 75 75 ASN C C 13 175.944 . . 1 . . . A 75 ASN C . 18229 1 922 . 1 1 75 75 ASN CA C 13 54.877 0.022 . 1 . . . A 75 ASN CA . 18229 1 923 . 1 1 75 75 ASN CB C 13 38.110 0.004 . 1 . . . A 75 ASN CB . 18229 1 924 . 1 1 75 75 ASN N N 15 116.263 . . 1 . . . A 75 ASN N . 18229 1 925 . 1 1 75 75 ASN ND2 N 15 113.106 . . 1 . . . A 75 ASN ND2 . 18229 1 926 . 1 1 76 76 GLU H H 1 8.133 . . 1 . . . A 76 GLU H . 18229 1 927 . 1 1 76 76 GLU HA H 1 4.393 0.001 . 1 . . . A 76 GLU HA . 18229 1 928 . 1 1 76 76 GLU HB2 H 1 2.220 0.001 . 2 . . . A 76 GLU HB2 . 18229 1 929 . 1 1 76 76 GLU HB3 H 1 1.985 0.001 . 2 . . . A 76 GLU HB3 . 18229 1 930 . 1 1 76 76 GLU HG2 H 1 2.275 0.013 . 2 . . . A 76 GLU HG2 . 18229 1 931 . 1 1 76 76 GLU HG3 H 1 2.269 0.002 . 2 . . . A 76 GLU HG3 . 18229 1 932 . 1 1 76 76 GLU C C 13 176.512 . . 1 . . . A 76 GLU C . 18229 1 933 . 1 1 76 76 GLU CA C 13 56.166 0.051 . 1 . . . A 76 GLU CA . 18229 1 934 . 1 1 76 76 GLU CB C 13 30.010 0.07 . 1 . . . A 76 GLU CB . 18229 1 935 . 1 1 76 76 GLU CG C 13 36.132 0.026 . 1 . . . A 76 GLU CG . 18229 1 936 . 1 1 76 76 GLU N N 15 118.940 . . 1 . . . A 76 GLU N . 18229 1 937 . 1 1 77 77 GLY H H 1 8.083 . . 1 . . . A 77 GLY H . 18229 1 938 . 1 1 77 77 GLY HA2 H 1 4.199 0.003 . 2 . . . A 77 GLY HA2 . 18229 1 939 . 1 1 77 77 GLY HA3 H 1 3.665 0.001 . 2 . . . A 77 GLY HA3 . 18229 1 940 . 1 1 77 77 GLY C C 13 174.193 . . 1 . . . A 77 GLY C . 18229 1 941 . 1 1 77 77 GLY CA C 13 45.287 0.023 . 1 . . . A 77 GLY CA . 18229 1 942 . 1 1 77 77 GLY N N 15 108.056 . . 1 . . . A 77 GLY N . 18229 1 943 . 1 1 78 78 ASN H H 1 8.537 . . 1 . . . A 78 ASN H . 18229 1 944 . 1 1 78 78 ASN HA H 1 4.742 0.001 . 1 . . . A 78 ASN HA . 18229 1 945 . 1 1 78 78 ASN HB2 H 1 2.856 0.003 . 2 . . . A 78 ASN HB2 . 18229 1 946 . 1 1 78 78 ASN HB3 H 1 2.659 0.001 . 2 . . . A 78 ASN HB3 . 18229 1 947 . 1 1 78 78 ASN HD21 H 1 8.226 . . 1 . . . A 78 ASN HD21 . 18229 1 948 . 1 1 78 78 ASN HD22 H 1 7.049 . . 1 . . . A 78 ASN HD22 . 18229 1 949 . 1 1 78 78 ASN C C 13 175.006 . . 1 . . . A 78 ASN C . 18229 1 950 . 1 1 78 78 ASN CA C 13 52.827 0.018 . 1 . . . A 78 ASN CA . 18229 1 951 . 1 1 78 78 ASN CB C 13 38.996 0.034 . 1 . . . A 78 ASN CB . 18229 1 952 . 1 1 78 78 ASN N N 15 119.896 . . 1 . . . A 78 ASN N . 18229 1 953 . 1 1 78 78 ASN ND2 N 15 117.172 . . 1 . . . A 78 ASN ND2 . 18229 1 954 . 1 1 79 79 GLU H H 1 8.674 . . 1 . . . A 79 GLU H . 18229 1 955 . 1 1 79 79 GLU HA H 1 4.471 0.002 . 1 . . . A 79 GLU HA . 18229 1 956 . 1 1 79 79 GLU HB2 H 1 1.932 0.004 . 2 . . . A 79 GLU HB2 . 18229 1 957 . 1 1 79 79 GLU HB3 H 1 1.932 0.003 . 2 . . . A 79 GLU HB3 . 18229 1 958 . 1 1 79 79 GLU HG2 H 1 2.146 0.003 . 2 . . . A 79 GLU HG2 . 18229 1 959 . 1 1 79 79 GLU HG3 H 1 2.300 0.001 . 2 . . . A 79 GLU HG3 . 18229 1 960 . 1 1 79 79 GLU C C 13 176.268 . . 1 . . . A 79 GLU C . 18229 1 961 . 1 1 79 79 GLU CA C 13 56.610 0.05 . 1 . . . A 79 GLU CA . 18229 1 962 . 1 1 79 79 GLU CB C 13 30.307 0.025 . 1 . . . A 79 GLU CB . 18229 1 963 . 1 1 79 79 GLU CG C 13 36.250 0.046 . 1 . . . A 79 GLU CG . 18229 1 964 . 1 1 79 79 GLU N N 15 121.648 . . 1 . . . A 79 GLU N . 18229 1 965 . 1 1 80 80 VAL H H 1 8.554 . . 1 . . . A 80 VAL H . 18229 1 966 . 1 1 80 80 VAL HA H 1 4.248 0.001 . 1 . . . A 80 VAL HA . 18229 1 967 . 1 1 80 80 VAL HB H 1 1.960 0.002 . 1 . . . A 80 VAL HB . 18229 1 968 . 1 1 80 80 VAL HG11 H 1 0.860 0.006 . 2 . . . A 80 VAL HG11 . 18229 1 969 . 1 1 80 80 VAL HG12 H 1 0.860 0.006 . 2 . . . A 80 VAL HG12 . 18229 1 970 . 1 1 80 80 VAL HG13 H 1 0.860 0.006 . 2 . . . A 80 VAL HG13 . 18229 1 971 . 1 1 80 80 VAL HG21 H 1 0.867 0.003 . 2 . . . A 80 VAL HG21 . 18229 1 972 . 1 1 80 80 VAL HG22 H 1 0.867 0.003 . 2 . . . A 80 VAL HG22 . 18229 1 973 . 1 1 80 80 VAL HG23 H 1 0.867 0.003 . 2 . . . A 80 VAL HG23 . 18229 1 974 . 1 1 80 80 VAL C C 13 175.537 . . 1 . . . A 80 VAL C . 18229 1 975 . 1 1 80 80 VAL CA C 13 61.465 0.005 . 1 . . . A 80 VAL CA . 18229 1 976 . 1 1 80 80 VAL CB C 13 33.553 0.063 . 1 . . . A 80 VAL CB . 18229 1 977 . 1 1 80 80 VAL CG1 C 13 20.908 0.055 . 2 . . . A 80 VAL CG1 . 18229 1 978 . 1 1 80 80 VAL CG2 C 13 20.481 0.018 . 2 . . . A 80 VAL CG2 . 18229 1 979 . 1 1 80 80 VAL N N 15 124.083 . . 1 . . . A 80 VAL N . 18229 1 980 . 1 1 81 81 VAL H H 1 8.390 . . 1 . . . A 81 VAL H . 18229 1 981 . 1 1 81 81 VAL HA H 1 4.427 0.003 . 1 . . . A 81 VAL HA . 18229 1 982 . 1 1 81 81 VAL HB H 1 2.035 0.002 . 1 . . . A 81 VAL HB . 18229 1 983 . 1 1 81 81 VAL HG11 H 1 0.972 . . 2 . . . A 81 VAL HG11 . 18229 1 984 . 1 1 81 81 VAL HG12 H 1 0.972 . . 2 . . . A 81 VAL HG12 . 18229 1 985 . 1 1 81 81 VAL HG13 H 1 0.972 . . 2 . . . A 81 VAL HG13 . 18229 1 986 . 1 1 81 81 VAL HG21 H 1 0.976 0.006 . 2 . . . A 81 VAL HG21 . 18229 1 987 . 1 1 81 81 VAL HG22 H 1 0.976 0.006 . 2 . . . A 81 VAL HG22 . 18229 1 988 . 1 1 81 81 VAL HG23 H 1 0.976 0.006 . 2 . . . A 81 VAL HG23 . 18229 1 989 . 1 1 81 81 VAL CA C 13 59.605 0.041 . 1 . . . A 81 VAL CA . 18229 1 990 . 1 1 81 81 VAL CB C 13 32.876 0.031 . 1 . . . A 81 VAL CB . 18229 1 991 . 1 1 81 81 VAL CG2 C 13 21.177 0.032 . 1 . . . A 81 VAL CG2 . 18229 1 992 . 1 1 81 81 VAL N N 15 126.640 . . 1 . . . A 81 VAL N . 18229 1 993 . 1 1 82 82 PRO HA H 1 4.427 0.003 . 1 . . . A 82 PRO HA . 18229 1 994 . 1 1 82 82 PRO HB2 H 1 1.869 0.003 . 2 . . . A 82 PRO HB2 . 18229 1 995 . 1 1 82 82 PRO HB3 H 1 2.274 0.001 . 2 . . . A 82 PRO HB3 . 18229 1 996 . 1 1 82 82 PRO HG2 H 1 2.039 0.003 . 2 . . . A 82 PRO HG2 . 18229 1 997 . 1 1 82 82 PRO HG3 H 1 1.951 0.004 . 2 . . . A 82 PRO HG3 . 18229 1 998 . 1 1 82 82 PRO HD2 H 1 3.632 0.002 . 2 . . . A 82 PRO HD2 . 18229 1 999 . 1 1 82 82 PRO HD3 H 1 3.853 0.002 . 2 . . . A 82 PRO HD3 . 18229 1 1000 . 1 1 82 82 PRO C C 13 176.034 . . 1 . . . A 82 PRO C . 18229 1 1001 . 1 1 82 82 PRO CA C 13 62.710 0.038 . 1 . . . A 82 PRO CA . 18229 1 1002 . 1 1 82 82 PRO CB C 13 32.352 0.015 . 1 . . . A 82 PRO CB . 18229 1 1003 . 1 1 82 82 PRO CG C 13 27.574 0.031 . 1 . . . A 82 PRO CG . 18229 1 1004 . 1 1 82 82 PRO CD C 13 51.159 0.032 . 1 . . . A 82 PRO CD . 18229 1 1005 . 1 1 83 83 LYS H H 1 8.308 . . 1 . . . A 83 LYS H . 18229 1 1006 . 1 1 83 83 LYS HA H 1 4.548 0.005 . 1 . . . A 83 LYS HA . 18229 1 1007 . 1 1 83 83 LYS HB2 H 1 1.678 0.005 . 2 . . . A 83 LYS HB2 . 18229 1 1008 . 1 1 83 83 LYS HB3 H 1 1.794 0.003 . 2 . . . A 83 LYS HB3 . 18229 1 1009 . 1 1 83 83 LYS HG2 H 1 1.474 0.002 . 2 . . . A 83 LYS HG2 . 18229 1 1010 . 1 1 83 83 LYS HG3 H 1 1.548 0.002 . 2 . . . A 83 LYS HG3 . 18229 1 1011 . 1 1 83 83 LYS HD2 H 1 1.639 . . 1 . . . A 83 LYS HD2 . 18229 1 1012 . 1 1 83 83 LYS HD3 H 1 1.639 . . 1 . . . A 83 LYS HD3 . 18229 1 1013 . 1 1 83 83 LYS HE2 H 1 2.993 0.002 . 2 . . . A 83 LYS HE2 . 18229 1 1014 . 1 1 83 83 LYS HE3 H 1 2.993 0.002 . 2 . . . A 83 LYS HE3 . 18229 1 1015 . 1 1 83 83 LYS CA C 13 53.856 0.052 . 1 . . . A 83 LYS CA . 18229 1 1016 . 1 1 83 83 LYS CB C 13 32.330 0.013 . 1 . . . A 83 LYS CB . 18229 1 1017 . 1 1 83 83 LYS CG C 13 24.869 0.019 . 1 . . . A 83 LYS CG . 18229 1 1018 . 1 1 83 83 LYS CE C 13 41.991 . . 1 . . . A 83 LYS CE . 18229 1 1019 . 1 1 83 83 LYS N N 15 121.719 . . 1 . . . A 83 LYS N . 18229 1 1020 . 1 1 84 84 PRO HA H 1 4.296 0.003 . 1 . . . A 84 PRO HA . 18229 1 1021 . 1 1 84 84 PRO HB2 H 1 2.208 0.004 . 2 . . . A 84 PRO HB2 . 18229 1 1022 . 1 1 84 84 PRO HB3 H 1 1.789 0.007 . 2 . . . A 84 PRO HB3 . 18229 1 1023 . 1 1 84 84 PRO HG2 H 1 1.906 0.004 . 1 . . . A 84 PRO HG2 . 18229 1 1024 . 1 1 84 84 PRO HG3 H 1 1.906 0.004 . 1 . . . A 84 PRO HG3 . 18229 1 1025 . 1 1 84 84 PRO HD2 H 1 3.752 0.003 . 2 . . . A 84 PRO HD2 . 18229 1 1026 . 1 1 84 84 PRO HD3 H 1 3.616 0.004 . 2 . . . A 84 PRO HD3 . 18229 1 1027 . 1 1 84 84 PRO C C 13 176.773 . . 1 . . . A 84 PRO C . 18229 1 1028 . 1 1 84 84 PRO CA C 13 62.556 0.023 . 1 . . . A 84 PRO CA . 18229 1 1029 . 1 1 84 84 PRO CB C 13 32.618 0.052 . 1 . . . A 84 PRO CB . 18229 1 1030 . 1 1 84 84 PRO CG C 13 27.277 0.025 . 1 . . . A 84 PRO CG . 18229 1 1031 . 1 1 84 84 PRO CD C 13 50.502 0.038 . 1 . . . A 84 PRO CD . 18229 1 1032 . 1 1 85 85 GLN H H 1 8.464 . . 1 . . . A 85 GLN H . 18229 1 1033 . 1 1 85 85 GLN HA H 1 4.141 0.002 . 1 . . . A 85 GLN HA . 18229 1 1034 . 1 1 85 85 GLN HB2 H 1 1.838 0.002 . 2 . . . A 85 GLN HB2 . 18229 1 1035 . 1 1 85 85 GLN HB3 H 1 1.936 0.002 . 2 . . . A 85 GLN HB3 . 18229 1 1036 . 1 1 85 85 GLN HG2 H 1 2.360 0.001 . 2 . . . A 85 GLN HG2 . 18229 1 1037 . 1 1 85 85 GLN HG3 H 1 2.202 0.001 . 2 . . . A 85 GLN HG3 . 18229 1 1038 . 1 1 85 85 GLN HE21 H 1 6.999 . . 1 . . . A 85 GLN HE21 . 18229 1 1039 . 1 1 85 85 GLN HE22 H 1 7.610 . . 1 . . . A 85 GLN HE22 . 18229 1 1040 . 1 1 85 85 GLN C C 13 174.940 . . 1 . . . A 85 GLN C . 18229 1 1041 . 1 1 85 85 GLN CA C 13 56.062 0.026 . 1 . . . A 85 GLN CA . 18229 1 1042 . 1 1 85 85 GLN CB C 13 29.730 0.039 . 1 . . . A 85 GLN CB . 18229 1 1043 . 1 1 85 85 GLN CG C 13 34.097 0.012 . 1 . . . A 85 GLN CG . 18229 1 1044 . 1 1 85 85 GLN N N 15 121.395 . . 1 . . . A 85 GLN N . 18229 1 1045 . 1 1 85 85 GLN NE2 N 15 112.636 . . 1 . . . A 85 GLN NE2 . 18229 1 1046 . 1 1 86 86 ARG H H 1 8.248 . . 1 . . . A 86 ARG H . 18229 1 1047 . 1 1 86 86 ARG HA H 1 5.127 0.003 . 1 . . . A 86 ARG HA . 18229 1 1048 . 1 1 86 86 ARG HB2 H 1 1.661 0.004 . 2 . . . A 86 ARG HB2 . 18229 1 1049 . 1 1 86 86 ARG HB3 H 1 1.335 0.007 . 2 . . . A 86 ARG HB3 . 18229 1 1050 . 1 1 86 86 ARG HG2 H 1 1.601 0.006 . 2 . . . A 86 ARG HG2 . 18229 1 1051 . 1 1 86 86 ARG HG3 H 1 1.359 0.005 . 2 . . . A 86 ARG HG3 . 18229 1 1052 . 1 1 86 86 ARG HD2 H 1 2.979 0.015 . 2 . . . A 86 ARG HD2 . 18229 1 1053 . 1 1 86 86 ARG HD3 H 1 2.960 0.012 . 2 . . . A 86 ARG HD3 . 18229 1 1054 . 1 1 86 86 ARG C C 13 175.052 . . 1 . . . A 86 ARG C . 18229 1 1055 . 1 1 86 86 ARG CA C 13 54.534 0.023 . 1 . . . A 86 ARG CA . 18229 1 1056 . 1 1 86 86 ARG CB C 13 33.333 0.037 . 1 . . . A 86 ARG CB . 18229 1 1057 . 1 1 86 86 ARG CG C 13 27.326 0.023 . 1 . . . A 86 ARG CG . 18229 1 1058 . 1 1 86 86 ARG CD C 13 43.648 0.047 . 1 . . . A 86 ARG CD . 18229 1 1059 . 1 1 86 86 ARG N N 15 121.035 . . 1 . . . A 86 ARG N . 18229 1 1060 . 1 1 87 87 HIS H H 1 8.659 . . 1 . . . A 87 HIS H . 18229 1 1061 . 1 1 87 87 HIS HA H 1 4.682 0.005 . 1 . . . A 87 HIS HA . 18229 1 1062 . 1 1 87 87 HIS HB2 H 1 3.256 0.01 . 2 . . . A 87 HIS HB2 . 18229 1 1063 . 1 1 87 87 HIS HB3 H 1 2.703 0.006 . 2 . . . A 87 HIS HB3 . 18229 1 1064 . 1 1 87 87 HIS HD2 H 1 6.697 0.007 . 1 . . . A 87 HIS HD2 . 18229 1 1065 . 1 1 87 87 HIS C C 13 173.558 . . 1 . . . A 87 HIS C . 18229 1 1066 . 1 1 87 87 HIS CA C 13 54.192 0.019 . 1 . . . A 87 HIS CA . 18229 1 1067 . 1 1 87 87 HIS CB C 13 33.054 0.004 . 1 . . . A 87 HIS CB . 18229 1 1068 . 1 1 87 87 HIS CD2 C 13 118.420 0.023 . 1 . . . A 87 HIS CD2 . 18229 1 1069 . 1 1 87 87 HIS N N 15 120.780 . . 1 . . . A 87 HIS N . 18229 1 1070 . 1 1 88 88 MET H H 1 8.710 . . 1 . . . A 88 MET H . 18229 1 1071 . 1 1 88 88 MET HA H 1 5.283 0.004 . 1 . . . A 88 MET HA . 18229 1 1072 . 1 1 88 88 MET HB2 H 1 1.986 0.005 . 2 . . . A 88 MET HB2 . 18229 1 1073 . 1 1 88 88 MET HB3 H 1 1.558 0.004 . 2 . . . A 88 MET HB3 . 18229 1 1074 . 1 1 88 88 MET HG2 H 1 2.349 0.006 . 2 . . . A 88 MET HG2 . 18229 1 1075 . 1 1 88 88 MET HG3 H 1 2.412 0.007 . 2 . . . A 88 MET HG3 . 18229 1 1076 . 1 1 88 88 MET HE1 H 1 1.974 0.004 . 1 . . . A 88 MET HE1 . 18229 1 1077 . 1 1 88 88 MET HE2 H 1 1.974 0.004 . 1 . . . A 88 MET HE2 . 18229 1 1078 . 1 1 88 88 MET HE3 H 1 1.974 0.004 . 1 . . . A 88 MET HE3 . 18229 1 1079 . 1 1 88 88 MET C C 13 173.297 . . 1 . . . A 88 MET C . 18229 1 1080 . 1 1 88 88 MET CA C 13 54.835 0.011 . 1 . . . A 88 MET CA . 18229 1 1081 . 1 1 88 88 MET CB C 13 35.794 0.048 . 1 . . . A 88 MET CB . 18229 1 1082 . 1 1 88 88 MET CG C 13 32.482 0.03 . 1 . . . A 88 MET CG . 18229 1 1083 . 1 1 88 88 MET CE C 13 17.724 0.029 . 1 . . . A 88 MET CE . 18229 1 1084 . 1 1 88 88 MET N N 15 126.780 . . 1 . . . A 88 MET N . 18229 1 1085 . 1 1 89 89 PHE H H 1 8.969 . . 1 . . . A 89 PHE H . 18229 1 1086 . 1 1 89 89 PHE HA H 1 5.195 0.005 . 1 . . . A 89 PHE HA . 18229 1 1087 . 1 1 89 89 PHE HB2 H 1 2.646 0.006 . 2 . . . A 89 PHE HB2 . 18229 1 1088 . 1 1 89 89 PHE HB3 H 1 2.573 0.008 . 2 . . . A 89 PHE HB3 . 18229 1 1089 . 1 1 89 89 PHE HD1 H 1 6.817 0.003 . 3 . . . A 89 PHE HD1 . 18229 1 1090 . 1 1 89 89 PHE HD2 H 1 6.817 0.003 . 3 . . . A 89 PHE HD2 . 18229 1 1091 . 1 1 89 89 PHE HE1 H 1 6.595 0.006 . 3 . . . A 89 PHE HE1 . 18229 1 1092 . 1 1 89 89 PHE HE2 H 1 6.595 0.006 . 3 . . . A 89 PHE HE2 . 18229 1 1093 . 1 1 89 89 PHE HZ H 1 6.165 0.007 . 1 . . . A 89 PHE HZ . 18229 1 1094 . 1 1 89 89 PHE C C 13 174.410 . . 1 . . . A 89 PHE C . 18229 1 1095 . 1 1 89 89 PHE CA C 13 56.379 0.035 . 1 . . . A 89 PHE CA . 18229 1 1096 . 1 1 89 89 PHE CB C 13 44.189 0.029 . 1 . . . A 89 PHE CB . 18229 1 1097 . 1 1 89 89 PHE CD1 C 13 131.495 0.005 . 3 . . . A 89 PHE CD1 . 18229 1 1098 . 1 1 89 89 PHE CD2 C 13 131.495 0.005 . 3 . . . A 89 PHE CD2 . 18229 1 1099 . 1 1 89 89 PHE CE1 C 13 127.896 0.0 . 3 . . . A 89 PHE CE1 . 18229 1 1100 . 1 1 89 89 PHE CE2 C 13 127.896 0.0 . 3 . . . A 89 PHE CE2 . 18229 1 1101 . 1 1 89 89 PHE CZ C 13 117.693 . . 1 . . . A 89 PHE CZ . 18229 1 1102 . 1 1 89 89 PHE N N 15 122.543 . . 1 . . . A 89 PHE N . 18229 1 1103 . 1 1 90 90 SER H H 1 8.657 . . 1 . . . A 90 SER H . 18229 1 1104 . 1 1 90 90 SER HA H 1 5.696 0.004 . 1 . . . A 90 SER HA . 18229 1 1105 . 1 1 90 90 SER HB2 H 1 3.834 0.003 . 2 . . . A 90 SER HB2 . 18229 1 1106 . 1 1 90 90 SER HB3 H 1 3.724 0.005 . 2 . . . A 90 SER HB3 . 18229 1 1107 . 1 1 90 90 SER C C 13 173.030 . . 1 . . . A 90 SER C . 18229 1 1108 . 1 1 90 90 SER CA C 13 56.771 0.033 . 1 . . . A 90 SER CA . 18229 1 1109 . 1 1 90 90 SER CB C 13 64.961 0.044 . 1 . . . A 90 SER CB . 18229 1 1110 . 1 1 90 90 SER N N 15 116.192 . . 1 . . . A 90 SER N . 18229 1 1111 . 1 1 91 91 PHE H H 1 9.001 . . 1 . . . A 91 PHE H . 18229 1 1112 . 1 1 91 91 PHE HA H 1 4.887 0.004 . 1 . . . A 91 PHE HA . 18229 1 1113 . 1 1 91 91 PHE HB2 H 1 3.322 0.005 . 2 . . . A 91 PHE HB2 . 18229 1 1114 . 1 1 91 91 PHE HB3 H 1 2.828 0.004 . 2 . . . A 91 PHE HB3 . 18229 1 1115 . 1 1 91 91 PHE HD1 H 1 7.487 0.005 . 3 . . . A 91 PHE HD1 . 18229 1 1116 . 1 1 91 91 PHE HD2 H 1 7.487 0.005 . 3 . . . A 91 PHE HD2 . 18229 1 1117 . 1 1 91 91 PHE HE1 H 1 7.101 0.006 . 3 . . . A 91 PHE HE1 . 18229 1 1118 . 1 1 91 91 PHE HE2 H 1 7.101 0.006 . 3 . . . A 91 PHE HE2 . 18229 1 1119 . 1 1 91 91 PHE HZ H 1 6.811 0.005 . 1 . . . A 91 PHE HZ . 18229 1 1120 . 1 1 91 91 PHE C C 13 174.442 . . 1 . . . A 91 PHE C . 18229 1 1121 . 1 1 91 91 PHE CA C 13 57.425 0.01 . 1 . . . A 91 PHE CA . 18229 1 1122 . 1 1 91 91 PHE CB C 13 43.392 0.014 . 1 . . . A 91 PHE CB . 18229 1 1123 . 1 1 91 91 PHE CD1 C 13 132.850 0.004 . 3 . . . A 91 PHE CD1 . 18229 1 1124 . 1 1 91 91 PHE CD2 C 13 132.850 0.004 . 3 . . . A 91 PHE CD2 . 18229 1 1125 . 1 1 91 91 PHE CE1 C 13 130.994 0.026 . 3 . . . A 91 PHE CE1 . 18229 1 1126 . 1 1 91 91 PHE CE2 C 13 130.994 0.026 . 3 . . . A 91 PHE CE2 . 18229 1 1127 . 1 1 91 91 PHE CZ C 13 127.491 0.041 . 1 . . . A 91 PHE CZ . 18229 1 1128 . 1 1 91 91 PHE N N 15 120.710 . . 1 . . . A 91 PHE N . 18229 1 1129 . 1 1 92 92 ASN H H 1 9.093 . . 1 . . . A 92 ASN H . 18229 1 1130 . 1 1 92 92 ASN HA H 1 5.107 0.0 . 1 . . . A 92 ASN HA . 18229 1 1131 . 1 1 92 92 ASN HB2 H 1 2.914 0.006 . 2 . . . A 92 ASN HB2 . 18229 1 1132 . 1 1 92 92 ASN HB3 H 1 2.913 0.006 . 2 . . . A 92 ASN HB3 . 18229 1 1133 . 1 1 92 92 ASN HD21 H 1 6.792 . . 1 . . . A 92 ASN HD21 . 18229 1 1134 . 1 1 92 92 ASN HD22 H 1 7.592 . . 1 . . . A 92 ASN HD22 . 18229 1 1135 . 1 1 92 92 ASN C C 13 174.835 . . 1 . . . A 92 ASN C . 18229 1 1136 . 1 1 92 92 ASN CA C 13 52.251 0.001 . 1 . . . A 92 ASN CA . 18229 1 1137 . 1 1 92 92 ASN CB C 13 39.889 0.021 . 1 . . . A 92 ASN CB . 18229 1 1138 . 1 1 92 92 ASN N N 15 115.967 . . 1 . . . A 92 ASN N . 18229 1 1139 . 1 1 92 92 ASN ND2 N 15 111.267 . . 1 . . . A 92 ASN ND2 . 18229 1 1140 . 1 1 93 93 ASN H H 1 7.252 . . 1 . . . A 93 ASN H . 18229 1 1141 . 1 1 93 93 ASN HA H 1 4.922 0.001 . 1 . . . A 93 ASN HA . 18229 1 1142 . 1 1 93 93 ASN HB2 H 1 2.909 0.006 . 2 . . . A 93 ASN HB2 . 18229 1 1143 . 1 1 93 93 ASN HB3 H 1 2.845 0.003 . 2 . . . A 93 ASN HB3 . 18229 1 1144 . 1 1 93 93 ASN HD21 H 1 7.893 . . 1 . . . A 93 ASN HD21 . 18229 1 1145 . 1 1 93 93 ASN HD22 H 1 7.192 . . 1 . . . A 93 ASN HD22 . 18229 1 1146 . 1 1 93 93 ASN C C 13 174.524 . . 1 . . . A 93 ASN C . 18229 1 1147 . 1 1 93 93 ASN CA C 13 53.013 0.007 . 1 . . . A 93 ASN CA . 18229 1 1148 . 1 1 93 93 ASN CB C 13 41.761 0.005 . 1 . . . A 93 ASN CB . 18229 1 1149 . 1 1 93 93 ASN N N 15 118.401 . . 1 . . . A 93 ASN N . 18229 1 1150 . 1 1 93 93 ASN ND2 N 15 113.937 . . 1 . . . A 93 ASN ND2 . 18229 1 1151 . 1 1 94 94 ARG H H 1 9.309 . . 1 . . . A 94 ARG H . 18229 1 1152 . 1 1 94 94 ARG HA H 1 3.865 0.006 . 1 . . . A 94 ARG HA . 18229 1 1153 . 1 1 94 94 ARG HB2 H 1 2.033 0.004 . 2 . . . A 94 ARG HB2 . 18229 1 1154 . 1 1 94 94 ARG HB3 H 1 1.817 0.006 . 2 . . . A 94 ARG HB3 . 18229 1 1155 . 1 1 94 94 ARG HG2 H 1 1.784 0.005 . 2 . . . A 94 ARG HG2 . 18229 1 1156 . 1 1 94 94 ARG HG3 H 1 1.650 0.004 . 2 . . . A 94 ARG HG3 . 18229 1 1157 . 1 1 94 94 ARG HD2 H 1 3.113 0.004 . 2 . . . A 94 ARG HD2 . 18229 1 1158 . 1 1 94 94 ARG HD3 H 1 3.392 0.003 . 2 . . . A 94 ARG HD3 . 18229 1 1159 . 1 1 94 94 ARG HE H 1 7.367 . . 1 . . . A 94 ARG HE . 18229 1 1160 . 1 1 94 94 ARG C C 13 176.797 . . 1 . . . A 94 ARG C . 18229 1 1161 . 1 1 94 94 ARG CA C 13 59.483 0.077 . 1 . . . A 94 ARG CA . 18229 1 1162 . 1 1 94 94 ARG CB C 13 30.129 0.008 . 1 . . . A 94 ARG CB . 18229 1 1163 . 1 1 94 94 ARG CG C 13 26.754 0.039 . 1 . . . A 94 ARG CG . 18229 1 1164 . 1 1 94 94 ARG CD C 13 42.569 0.015 . 1 . . . A 94 ARG CD . 18229 1 1165 . 1 1 94 94 ARG N N 15 129.175 . . 1 . . . A 94 ARG N . 18229 1 1166 . 1 1 94 94 ARG NE N 15 83.196 . . 1 . . . A 94 ARG NE . 18229 1 1167 . 1 1 95 95 THR H H 1 7.973 . . 1 . . . A 95 THR H . 18229 1 1168 . 1 1 95 95 THR HA H 1 4.021 0.002 . 1 . . . A 95 THR HA . 18229 1 1169 . 1 1 95 95 THR HB H 1 4.345 0.001 . 1 . . . A 95 THR HB . 18229 1 1170 . 1 1 95 95 THR HG21 H 1 1.290 0.002 . 1 . . . A 95 THR HG21 . 18229 1 1171 . 1 1 95 95 THR HG22 H 1 1.290 0.002 . 1 . . . A 95 THR HG22 . 18229 1 1172 . 1 1 95 95 THR HG23 H 1 1.290 0.002 . 1 . . . A 95 THR HG23 . 18229 1 1173 . 1 1 95 95 THR C C 13 176.735 . . 1 . . . A 95 THR C . 18229 1 1174 . 1 1 95 95 THR CA C 13 66.430 0.028 . 1 . . . A 95 THR CA . 18229 1 1175 . 1 1 95 95 THR CB C 13 68.357 0.012 . 1 . . . A 95 THR CB . 18229 1 1176 . 1 1 95 95 THR CG2 C 13 21.984 0.087 . 1 . . . A 95 THR CG2 . 18229 1 1177 . 1 1 95 95 THR N N 15 115.594 . . 1 . . . A 95 THR N . 18229 1 1178 . 1 1 96 96 VAL H H 1 7.565 . . 1 . . . A 96 VAL H . 18229 1 1179 . 1 1 96 96 VAL HA H 1 3.783 0.004 . 1 . . . A 96 VAL HA . 18229 1 1180 . 1 1 96 96 VAL HB H 1 2.403 0.003 . 1 . . . A 96 VAL HB . 18229 1 1181 . 1 1 96 96 VAL HG11 H 1 1.284 0.003 . 2 . . . A 96 VAL HG11 . 18229 1 1182 . 1 1 96 96 VAL HG12 H 1 1.284 0.003 . 2 . . . A 96 VAL HG12 . 18229 1 1183 . 1 1 96 96 VAL HG13 H 1 1.284 0.003 . 2 . . . A 96 VAL HG13 . 18229 1 1184 . 1 1 96 96 VAL HG21 H 1 1.236 0.002 . 2 . . . A 96 VAL HG21 . 18229 1 1185 . 1 1 96 96 VAL HG22 H 1 1.236 0.002 . 2 . . . A 96 VAL HG22 . 18229 1 1186 . 1 1 96 96 VAL HG23 H 1 1.236 0.002 . 2 . . . A 96 VAL HG23 . 18229 1 1187 . 1 1 96 96 VAL C C 13 177.561 . . 1 . . . A 96 VAL C . 18229 1 1188 . 1 1 96 96 VAL CA C 13 66.125 0.008 . 1 . . . A 96 VAL CA . 18229 1 1189 . 1 1 96 96 VAL CB C 13 32.201 0.041 . 1 . . . A 96 VAL CB . 18229 1 1190 . 1 1 96 96 VAL CG1 C 13 22.314 0.039 . 2 . . . A 96 VAL CG1 . 18229 1 1191 . 1 1 96 96 VAL CG2 C 13 21.461 0.018 . 2 . . . A 96 VAL CG2 . 18229 1 1192 . 1 1 96 96 VAL N N 15 121.833 . . 1 . . . A 96 VAL N . 18229 1 1193 . 1 1 97 97 MET H H 1 7.336 . . 1 . . . A 97 MET H . 18229 1 1194 . 1 1 97 97 MET HA H 1 4.551 . . 1 . . . A 97 MET HA . 18229 1 1195 . 1 1 97 97 MET HB2 H 1 2.296 . . 2 . . . A 97 MET HB2 . 18229 1 1196 . 1 1 97 97 MET HB3 H 1 1.976 0.002 . 2 . . . A 97 MET HB3 . 18229 1 1197 . 1 1 97 97 MET HG2 H 1 2.320 . . 2 . . . A 97 MET HG2 . 18229 1 1198 . 1 1 97 97 MET HG3 H 1 1.920 . . 2 . . . A 97 MET HG3 . 18229 1 1199 . 1 1 97 97 MET HE1 H 1 2.069 0.003 . 1 . . . A 97 MET HE1 . 18229 1 1200 . 1 1 97 97 MET HE2 H 1 2.069 0.003 . 1 . . . A 97 MET HE2 . 18229 1 1201 . 1 1 97 97 MET HE3 H 1 2.069 0.003 . 1 . . . A 97 MET HE3 . 18229 1 1202 . 1 1 97 97 MET C C 13 177.257 . . 1 . . . A 97 MET C . 18229 1 1203 . 1 1 97 97 MET CA C 13 59.753 . . 1 . . . A 97 MET CA . 18229 1 1204 . 1 1 97 97 MET CB C 13 32.515 . . 1 . . . A 97 MET CB . 18229 1 1205 . 1 1 97 97 MET CE C 13 17.700 0.038 . 1 . . . A 97 MET CE . 18229 1 1206 . 1 1 97 97 MET N N 15 117.429 . . 1 . . . A 97 MET N . 18229 1 1207 . 1 1 98 98 ASP H H 1 8.712 . . 1 . . . A 98 ASP H . 18229 1 1208 . 1 1 98 98 ASP HA H 1 4.315 0.007 . 1 . . . A 98 ASP HA . 18229 1 1209 . 1 1 98 98 ASP HB2 H 1 2.755 0.006 . 2 . . . A 98 ASP HB2 . 18229 1 1210 . 1 1 98 98 ASP HB3 H 1 2.591 0.005 . 2 . . . A 98 ASP HB3 . 18229 1 1211 . 1 1 98 98 ASP C C 13 178.771 . . 1 . . . A 98 ASP C . 18229 1 1212 . 1 1 98 98 ASP CA C 13 57.604 0.051 . 1 . . . A 98 ASP CA . 18229 1 1213 . 1 1 98 98 ASP CB C 13 39.664 0.065 . 1 . . . A 98 ASP CB . 18229 1 1214 . 1 1 98 98 ASP N N 15 118.159 . . 1 . . . A 98 ASP N . 18229 1 1215 . 1 1 99 99 ASN H H 1 8.084 . . 1 . . . A 99 ASN H . 18229 1 1216 . 1 1 99 99 ASN HA H 1 4.480 0.005 . 1 . . . A 99 ASN HA . 18229 1 1217 . 1 1 99 99 ASN HB2 H 1 2.859 0.006 . 2 . . . A 99 ASN HB2 . 18229 1 1218 . 1 1 99 99 ASN HB3 H 1 3.059 0.003 . 2 . . . A 99 ASN HB3 . 18229 1 1219 . 1 1 99 99 ASN HD21 H 1 7.430 . . 1 . . . A 99 ASN HD21 . 18229 1 1220 . 1 1 99 99 ASN HD22 H 1 6.949 . . 1 . . . A 99 ASN HD22 . 18229 1 1221 . 1 1 99 99 ASN C C 13 178.232 . . 1 . . . A 99 ASN C . 18229 1 1222 . 1 1 99 99 ASN CA C 13 56.300 0.029 . 1 . . . A 99 ASN CA . 18229 1 1223 . 1 1 99 99 ASN CB C 13 38.448 0.05 . 1 . . . A 99 ASN CB . 18229 1 1224 . 1 1 99 99 ASN N N 15 120.354 . . 1 . . . A 99 ASN N . 18229 1 1225 . 1 1 99 99 ASN ND2 N 15 111.554 . . 1 . . . A 99 ASN ND2 . 18229 1 1226 . 1 1 100 100 ILE H H 1 8.017 . . 1 . . . A 100 ILE H . 18229 1 1227 . 1 1 100 100 ILE HA H 1 3.637 0.003 . 1 . . . A 100 ILE HA . 18229 1 1228 . 1 1 100 100 ILE HB H 1 1.946 0.004 . 1 . . . A 100 ILE HB . 18229 1 1229 . 1 1 100 100 ILE HG12 H 1 1.665 0.006 . 2 . . . A 100 ILE HG12 . 18229 1 1230 . 1 1 100 100 ILE HG13 H 1 1.291 0.002 . 2 . . . A 100 ILE HG13 . 18229 1 1231 . 1 1 100 100 ILE HG21 H 1 0.734 0.005 . 1 . . . A 100 ILE HG21 . 18229 1 1232 . 1 1 100 100 ILE HG22 H 1 0.734 0.005 . 1 . . . A 100 ILE HG22 . 18229 1 1233 . 1 1 100 100 ILE HG23 H 1 0.734 0.005 . 1 . . . A 100 ILE HG23 . 18229 1 1234 . 1 1 100 100 ILE HD11 H 1 0.540 0.004 . 1 . . . A 100 ILE HD11 . 18229 1 1235 . 1 1 100 100 ILE HD12 H 1 0.540 0.004 . 1 . . . A 100 ILE HD12 . 18229 1 1236 . 1 1 100 100 ILE HD13 H 1 0.540 0.004 . 1 . . . A 100 ILE HD13 . 18229 1 1237 . 1 1 100 100 ILE C C 13 177.463 . . 1 . . . A 100 ILE C . 18229 1 1238 . 1 1 100 100 ILE CA C 13 62.773 0.01 . 1 . . . A 100 ILE CA . 18229 1 1239 . 1 1 100 100 ILE CB C 13 35.467 0.031 . 1 . . . A 100 ILE CB . 18229 1 1240 . 1 1 100 100 ILE CG1 C 13 28.212 0.048 . 1 . . . A 100 ILE CG1 . 18229 1 1241 . 1 1 100 100 ILE CG2 C 13 17.395 0.021 . 1 . . . A 100 ILE CG2 . 18229 1 1242 . 1 1 100 100 ILE CD1 C 13 9.304 0.025 . 1 . . . A 100 ILE CD1 . 18229 1 1243 . 1 1 100 100 ILE N N 15 120.990 . . 1 . . . A 100 ILE N . 18229 1 1244 . 1 1 101 101 LYS H H 1 8.944 . . 1 . . . A 101 LYS H . 18229 1 1245 . 1 1 101 101 LYS HA H 1 3.635 0.004 . 1 . . . A 101 LYS HA . 18229 1 1246 . 1 1 101 101 LYS HB2 H 1 1.913 0.006 . 2 . . . A 101 LYS HB2 . 18229 1 1247 . 1 1 101 101 LYS HB3 H 1 2.148 0.001 . 2 . . . A 101 LYS HB3 . 18229 1 1248 . 1 1 101 101 LYS HG2 H 1 0.773 . . 2 . . . A 101 LYS HG2 . 18229 1 1249 . 1 1 101 101 LYS HG3 H 1 0.887 . . 2 . . . A 101 LYS HG3 . 18229 1 1250 . 1 1 101 101 LYS HD2 H 1 1.767 0.005 . 2 . . . A 101 LYS HD2 . 18229 1 1251 . 1 1 101 101 LYS HD3 H 1 1.539 0.004 . 2 . . . A 101 LYS HD3 . 18229 1 1252 . 1 1 101 101 LYS HE2 H 1 2.908 0.004 . 2 . . . A 101 LYS HE2 . 18229 1 1253 . 1 1 101 101 LYS HE3 H 1 2.856 0.012 . 2 . . . A 101 LYS HE3 . 18229 1 1254 . 1 1 101 101 LYS C C 13 177.365 . . 1 . . . A 101 LYS C . 18229 1 1255 . 1 1 101 101 LYS CA C 13 60.636 0.038 . 1 . . . A 101 LYS CA . 18229 1 1256 . 1 1 101 101 LYS CB C 13 32.991 . . 1 . . . A 101 LYS CB . 18229 1 1257 . 1 1 101 101 LYS CG C 13 19.142 . . 1 . . . A 101 LYS CG . 18229 1 1258 . 1 1 101 101 LYS CD C 13 29.259 0.052 . 1 . . . A 101 LYS CD . 18229 1 1259 . 1 1 101 101 LYS CE C 13 41.026 0.035 . 1 . . . A 101 LYS CE . 18229 1 1260 . 1 1 101 101 LYS N N 15 120.814 . . 1 . . . A 101 LYS N . 18229 1 1261 . 1 1 102 102 MET H H 1 8.123 . . 1 . . . A 102 MET H . 18229 1 1262 . 1 1 102 102 MET HA H 1 4.209 0.004 . 1 . . . A 102 MET HA . 18229 1 1263 . 1 1 102 102 MET HB2 H 1 2.260 0.006 . 2 . . . A 102 MET HB2 . 18229 1 1264 . 1 1 102 102 MET HB3 H 1 2.159 0.003 . 2 . . . A 102 MET HB3 . 18229 1 1265 . 1 1 102 102 MET HG2 H 1 2.739 0.003 . 2 . . . A 102 MET HG2 . 18229 1 1266 . 1 1 102 102 MET HG3 H 1 2.645 0.004 . 2 . . . A 102 MET HG3 . 18229 1 1267 . 1 1 102 102 MET HE1 H 1 2.095 0.004 . 1 . . . A 102 MET HE1 . 18229 1 1268 . 1 1 102 102 MET HE2 H 1 2.095 0.004 . 1 . . . A 102 MET HE2 . 18229 1 1269 . 1 1 102 102 MET HE3 H 1 2.095 0.004 . 1 . . . A 102 MET HE3 . 18229 1 1270 . 1 1 102 102 MET C C 13 178.925 . . 1 . . . A 102 MET C . 18229 1 1271 . 1 1 102 102 MET CA C 13 58.720 0.032 . 1 . . . A 102 MET CA . 18229 1 1272 . 1 1 102 102 MET CB C 13 32.299 0.057 . 1 . . . A 102 MET CB . 18229 1 1273 . 1 1 102 102 MET CG C 13 32.150 0.03 . 1 . . . A 102 MET CG . 18229 1 1274 . 1 1 102 102 MET CE C 13 16.904 0.024 . 1 . . . A 102 MET CE . 18229 1 1275 . 1 1 102 102 MET N N 15 116.514 . . 1 . . . A 102 MET N . 18229 1 1276 . 1 1 103 103 THR H H 1 7.768 . . 1 . . . A 103 THR H . 18229 1 1277 . 1 1 103 103 THR HA H 1 3.882 0.004 . 1 . . . A 103 THR HA . 18229 1 1278 . 1 1 103 103 THR HB H 1 3.975 0.005 . 1 . . . A 103 THR HB . 18229 1 1279 . 1 1 103 103 THR HG21 H 1 0.818 0.003 . 1 . . . A 103 THR HG21 . 18229 1 1280 . 1 1 103 103 THR HG22 H 1 0.818 0.003 . 1 . . . A 103 THR HG22 . 18229 1 1281 . 1 1 103 103 THR HG23 H 1 0.818 0.003 . 1 . . . A 103 THR HG23 . 18229 1 1282 . 1 1 103 103 THR C C 13 176.474 . . 1 . . . A 103 THR C . 18229 1 1283 . 1 1 103 103 THR CA C 13 66.489 0.041 . 1 . . . A 103 THR CA . 18229 1 1284 . 1 1 103 103 THR CB C 13 67.864 0.025 . 1 . . . A 103 THR CB . 18229 1 1285 . 1 1 103 103 THR CG2 C 13 22.262 0.039 . 1 . . . A 103 THR CG2 . 18229 1 1286 . 1 1 103 103 THR N N 15 118.583 . . 1 . . . A 103 THR N . 18229 1 1287 . 1 1 104 104 LEU H H 1 8.537 . . 1 . . . A 104 LEU H . 18229 1 1288 . 1 1 104 104 LEU HA H 1 3.882 0.004 . 1 . . . A 104 LEU HA . 18229 1 1289 . 1 1 104 104 LEU HB2 H 1 1.661 0.001 . 1 . . . A 104 LEU HB2 . 18229 1 1290 . 1 1 104 104 LEU HB3 H 1 1.661 0.001 . 1 . . . A 104 LEU HB3 . 18229 1 1291 . 1 1 104 104 LEU HG H 1 1.930 0.008 . 1 . . . A 104 LEU HG . 18229 1 1292 . 1 1 104 104 LEU HD11 H 1 0.774 0.012 . 2 . . . A 104 LEU HD11 . 18229 1 1293 . 1 1 104 104 LEU HD12 H 1 0.774 0.012 . 2 . . . A 104 LEU HD12 . 18229 1 1294 . 1 1 104 104 LEU HD13 H 1 0.774 0.012 . 2 . . . A 104 LEU HD13 . 18229 1 1295 . 1 1 104 104 LEU HD21 H 1 0.828 0.005 . 2 . . . A 104 LEU HD21 . 18229 1 1296 . 1 1 104 104 LEU HD22 H 1 0.828 0.005 . 2 . . . A 104 LEU HD22 . 18229 1 1297 . 1 1 104 104 LEU HD23 H 1 0.828 0.005 . 2 . . . A 104 LEU HD23 . 18229 1 1298 . 1 1 104 104 LEU C C 13 177.935 . . 1 . . . A 104 LEU C . 18229 1 1299 . 1 1 104 104 LEU CA C 13 57.976 0.028 . 1 . . . A 104 LEU CA . 18229 1 1300 . 1 1 104 104 LEU CB C 13 42.322 . . 1 . . . A 104 LEU CB . 18229 1 1301 . 1 1 104 104 LEU CG C 13 26.621 0.036 . 1 . . . A 104 LEU CG . 18229 1 1302 . 1 1 104 104 LEU CD1 C 13 24.658 0.03 . 2 . . . A 104 LEU CD1 . 18229 1 1303 . 1 1 104 104 LEU CD2 C 13 27.055 0.026 . 2 . . . A 104 LEU CD2 . 18229 1 1304 . 1 1 104 104 LEU N N 15 119.575 . . 1 . . . A 104 LEU N . 18229 1 1305 . 1 1 105 105 GLN H H 1 8.736 . . 1 . . . A 105 GLN H . 18229 1 1306 . 1 1 105 105 GLN HA H 1 3.709 0.004 . 1 . . . A 105 GLN HA . 18229 1 1307 . 1 1 105 105 GLN HB2 H 1 2.390 0.009 . 2 . . . A 105 GLN HB2 . 18229 1 1308 . 1 1 105 105 GLN HB3 H 1 1.919 0.004 . 2 . . . A 105 GLN HB3 . 18229 1 1309 . 1 1 105 105 GLN HG2 H 1 2.420 0.005 . 2 . . . A 105 GLN HG2 . 18229 1 1310 . 1 1 105 105 GLN HG3 H 1 2.197 0.004 . 2 . . . A 105 GLN HG3 . 18229 1 1311 . 1 1 105 105 GLN HE21 H 1 6.787 . . 1 . . . A 105 GLN HE21 . 18229 1 1312 . 1 1 105 105 GLN HE22 H 1 7.869 . . 1 . . . A 105 GLN HE22 . 18229 1 1313 . 1 1 105 105 GLN C C 13 178.507 . . 1 . . . A 105 GLN C . 18229 1 1314 . 1 1 105 105 GLN CA C 13 59.740 0.042 . 1 . . . A 105 GLN CA . 18229 1 1315 . 1 1 105 105 GLN CB C 13 28.639 0.059 . 1 . . . A 105 GLN CB . 18229 1 1316 . 1 1 105 105 GLN CG C 13 33.421 0.046 . 1 . . . A 105 GLN CG . 18229 1 1317 . 1 1 105 105 GLN N N 15 119.463 . . 1 . . . A 105 GLN N . 18229 1 1318 . 1 1 105 105 GLN NE2 N 15 111.303 . . 1 . . . A 105 GLN NE2 . 18229 1 1319 . 1 1 106 106 GLN H H 1 7.689 . . 1 . . . A 106 GLN H . 18229 1 1320 . 1 1 106 106 GLN HA H 1 3.976 0.003 . 1 . . . A 106 GLN HA . 18229 1 1321 . 1 1 106 106 GLN HB2 H 1 2.320 0.002 . 2 . . . A 106 GLN HB2 . 18229 1 1322 . 1 1 106 106 GLN HB3 H 1 2.172 0.001 . 2 . . . A 106 GLN HB3 . 18229 1 1323 . 1 1 106 106 GLN HG2 H 1 2.402 0.002 . 2 . . . A 106 GLN HG2 . 18229 1 1324 . 1 1 106 106 GLN HG3 H 1 2.603 0.002 . 2 . . . A 106 GLN HG3 . 18229 1 1325 . 1 1 106 106 GLN HE21 H 1 7.370 . . 1 . . . A 106 GLN HE21 . 18229 1 1326 . 1 1 106 106 GLN HE22 H 1 6.820 . . 1 . . . A 106 GLN HE22 . 18229 1 1327 . 1 1 106 106 GLN C C 13 178.454 . . 1 . . . A 106 GLN C . 18229 1 1328 . 1 1 106 106 GLN CA C 13 59.018 0.022 . 1 . . . A 106 GLN CA . 18229 1 1329 . 1 1 106 106 GLN CB C 13 28.452 0.016 . 1 . . . A 106 GLN CB . 18229 1 1330 . 1 1 106 106 GLN CG C 13 33.901 0.021 . 1 . . . A 106 GLN CG . 18229 1 1331 . 1 1 106 106 GLN N N 15 118.984 . . 1 . . . A 106 GLN N . 18229 1 1332 . 1 1 106 106 GLN NE2 N 15 111.272 . . 1 . . . A 106 GLN NE2 . 18229 1 1333 . 1 1 107 107 ILE H H 1 7.910 . . 1 . . . A 107 ILE H . 18229 1 1334 . 1 1 107 107 ILE HA H 1 3.463 0.003 . 1 . . . A 107 ILE HA . 18229 1 1335 . 1 1 107 107 ILE HB H 1 1.603 0.004 . 1 . . . A 107 ILE HB . 18229 1 1336 . 1 1 107 107 ILE HG12 H 1 1.906 0.005 . 2 . . . A 107 ILE HG12 . 18229 1 1337 . 1 1 107 107 ILE HG13 H 1 0.892 0.002 . 2 . . . A 107 ILE HG13 . 18229 1 1338 . 1 1 107 107 ILE HG21 H 1 0.787 0.003 . 1 . . . A 107 ILE HG21 . 18229 1 1339 . 1 1 107 107 ILE HG22 H 1 0.787 0.003 . 1 . . . A 107 ILE HG22 . 18229 1 1340 . 1 1 107 107 ILE HG23 H 1 0.787 0.003 . 1 . . . A 107 ILE HG23 . 18229 1 1341 . 1 1 107 107 ILE HD11 H 1 0.628 0.003 . 1 . . . A 107 ILE HD11 . 18229 1 1342 . 1 1 107 107 ILE HD12 H 1 0.628 0.003 . 1 . . . A 107 ILE HD12 . 18229 1 1343 . 1 1 107 107 ILE HD13 H 1 0.628 0.003 . 1 . . . A 107 ILE HD13 . 18229 1 1344 . 1 1 107 107 ILE C C 13 177.492 . . 1 . . . A 107 ILE C . 18229 1 1345 . 1 1 107 107 ILE CA C 13 65.442 0.034 . 1 . . . A 107 ILE CA . 18229 1 1346 . 1 1 107 107 ILE CB C 13 39.495 0.035 . 1 . . . A 107 ILE CB . 18229 1 1347 . 1 1 107 107 ILE CG1 C 13 28.816 0.007 . 1 . . . A 107 ILE CG1 . 18229 1 1348 . 1 1 107 107 ILE CG2 C 13 18.758 0.028 . 1 . . . A 107 ILE CG2 . 18229 1 1349 . 1 1 107 107 ILE CD1 C 13 15.857 0.012 . 1 . . . A 107 ILE CD1 . 18229 1 1350 . 1 1 107 107 ILE N N 15 119.928 . . 1 . . . A 107 ILE N . 18229 1 1351 . 1 1 108 108 ILE H H 1 8.767 . . 1 . . . A 108 ILE H . 18229 1 1352 . 1 1 108 108 ILE HA H 1 3.759 0.004 . 1 . . . A 108 ILE HA . 18229 1 1353 . 1 1 108 108 ILE HB H 1 1.804 0.005 . 1 . . . A 108 ILE HB . 18229 1 1354 . 1 1 108 108 ILE HG12 H 1 1.231 0.013 . 2 . . . A 108 ILE HG12 . 18229 1 1355 . 1 1 108 108 ILE HG13 H 1 1.800 0.003 . 2 . . . A 108 ILE HG13 . 18229 1 1356 . 1 1 108 108 ILE HG21 H 1 0.965 0.003 . 1 . . . A 108 ILE HG21 . 18229 1 1357 . 1 1 108 108 ILE HG22 H 1 0.965 0.003 . 1 . . . A 108 ILE HG22 . 18229 1 1358 . 1 1 108 108 ILE HG23 H 1 0.965 0.003 . 1 . . . A 108 ILE HG23 . 18229 1 1359 . 1 1 108 108 ILE HD11 H 1 0.833 0.004 . 1 . . . A 108 ILE HD11 . 18229 1 1360 . 1 1 108 108 ILE HD12 H 1 0.833 0.004 . 1 . . . A 108 ILE HD12 . 18229 1 1361 . 1 1 108 108 ILE HD13 H 1 0.833 0.004 . 1 . . . A 108 ILE HD13 . 18229 1 1362 . 1 1 108 108 ILE C C 13 178.625 . . 1 . . . A 108 ILE C . 18229 1 1363 . 1 1 108 108 ILE CA C 13 65.579 0.069 . 1 . . . A 108 ILE CA . 18229 1 1364 . 1 1 108 108 ILE CB C 13 38.252 0.013 . 1 . . . A 108 ILE CB . 18229 1 1365 . 1 1 108 108 ILE CG1 C 13 29.974 0.032 . 1 . . . A 108 ILE CG1 . 18229 1 1366 . 1 1 108 108 ILE CG2 C 13 17.294 0.04 . 1 . . . A 108 ILE CG2 . 18229 1 1367 . 1 1 108 108 ILE CD1 C 13 15.461 0.03 . 1 . . . A 108 ILE CD1 . 18229 1 1368 . 1 1 108 108 ILE N N 15 117.958 . . 1 . . . A 108 ILE N . 18229 1 1369 . 1 1 109 109 SER H H 1 7.797 . . 1 . . . A 109 SER H . 18229 1 1370 . 1 1 109 109 SER HA H 1 4.271 0.008 . 1 . . . A 109 SER HA . 18229 1 1371 . 1 1 109 109 SER HB2 H 1 3.893 0.006 . 2 . . . A 109 SER HB2 . 18229 1 1372 . 1 1 109 109 SER HB3 H 1 3.973 0.005 . 2 . . . A 109 SER HB3 . 18229 1 1373 . 1 1 109 109 SER C C 13 175.966 . . 1 . . . A 109 SER C . 18229 1 1374 . 1 1 109 109 SER CA C 13 62.205 0.038 . 1 . . . A 109 SER CA . 18229 1 1375 . 1 1 109 109 SER CB C 13 63.094 0.04 . 1 . . . A 109 SER CB . 18229 1 1376 . 1 1 109 109 SER N N 15 113.450 . . 1 . . . A 109 SER N . 18229 1 1377 . 1 1 110 110 ARG H H 1 7.450 . . 1 . . . A 110 ARG H . 18229 1 1378 . 1 1 110 110 ARG HA H 1 4.119 0.003 . 1 . . . A 110 ARG HA . 18229 1 1379 . 1 1 110 110 ARG HB2 H 1 1.751 0.002 . 2 . . . A 110 ARG HB2 . 18229 1 1380 . 1 1 110 110 ARG HB3 H 1 1.751 0.002 . 2 . . . A 110 ARG HB3 . 18229 1 1381 . 1 1 110 110 ARG HG2 H 1 1.708 0.002 . 2 . . . A 110 ARG HG2 . 18229 1 1382 . 1 1 110 110 ARG HG3 H 1 1.537 0.002 . 2 . . . A 110 ARG HG3 . 18229 1 1383 . 1 1 110 110 ARG HD2 H 1 3.155 0.004 . 2 . . . A 110 ARG HD2 . 18229 1 1384 . 1 1 110 110 ARG HD3 H 1 3.046 0.003 . 2 . . . A 110 ARG HD3 . 18229 1 1385 . 1 1 110 110 ARG HE H 1 7.076 . . 1 . . . A 110 ARG HE . 18229 1 1386 . 1 1 110 110 ARG C C 13 179.056 . . 1 . . . A 110 ARG C . 18229 1 1387 . 1 1 110 110 ARG CA C 13 58.820 0.032 . 1 . . . A 110 ARG CA . 18229 1 1388 . 1 1 110 110 ARG CB C 13 29.799 0.042 . 1 . . . A 110 ARG CB . 18229 1 1389 . 1 1 110 110 ARG CG C 13 27.276 0.02 . 1 . . . A 110 ARG CG . 18229 1 1390 . 1 1 110 110 ARG CD C 13 43.852 0.016 . 1 . . . A 110 ARG CD . 18229 1 1391 . 1 1 110 110 ARG N N 15 120.739 . . 1 . . . A 110 ARG N . 18229 1 1392 . 1 1 110 110 ARG NE N 15 84.757 . . 1 . . . A 110 ARG NE . 18229 1 1393 . 1 1 111 111 TYR H H 1 7.558 . . 1 . . . A 111 TYR H . 18229 1 1394 . 1 1 111 111 TYR HA H 1 4.706 0.002 . 1 . . . A 111 TYR HA . 18229 1 1395 . 1 1 111 111 TYR HB2 H 1 3.377 0.007 . 2 . . . A 111 TYR HB2 . 18229 1 1396 . 1 1 111 111 TYR HB3 H 1 3.129 0.007 . 2 . . . A 111 TYR HB3 . 18229 1 1397 . 1 1 111 111 TYR HD1 H 1 7.093 0.005 . 3 . . . A 111 TYR HD1 . 18229 1 1398 . 1 1 111 111 TYR HD2 H 1 7.093 0.005 . 3 . . . A 111 TYR HD2 . 18229 1 1399 . 1 1 111 111 TYR HE1 H 1 6.712 0.005 . 3 . . . A 111 TYR HE1 . 18229 1 1400 . 1 1 111 111 TYR HE2 H 1 6.712 0.005 . 3 . . . A 111 TYR HE2 . 18229 1 1401 . 1 1 111 111 TYR C C 13 177.853 . . 1 . . . A 111 TYR C . 18229 1 1402 . 1 1 111 111 TYR CA C 13 58.613 0.026 . 1 . . . A 111 TYR CA . 18229 1 1403 . 1 1 111 111 TYR CB C 13 37.308 0.038 . 1 . . . A 111 TYR CB . 18229 1 1404 . 1 1 111 111 TYR CD1 C 13 132.218 0.0 . 3 . . . A 111 TYR CD1 . 18229 1 1405 . 1 1 111 111 TYR CD2 C 13 132.218 0.0 . 3 . . . A 111 TYR CD2 . 18229 1 1406 . 1 1 111 111 TYR CE1 C 13 117.885 0.036 . 3 . . . A 111 TYR CE1 . 18229 1 1407 . 1 1 111 111 TYR CE2 C 13 117.885 0.036 . 3 . . . A 111 TYR CE2 . 18229 1 1408 . 1 1 111 111 TYR N N 15 117.972 . . 1 . . . A 111 TYR N . 18229 1 1409 . 1 1 112 112 LYS H H 1 8.080 . . 1 . . . A 112 LYS H . 18229 1 1410 . 1 1 112 112 LYS HA H 1 4.381 0.002 . 1 . . . A 112 LYS HA . 18229 1 1411 . 1 1 112 112 LYS HB2 H 1 2.026 0.002 . 2 . . . A 112 LYS HB2 . 18229 1 1412 . 1 1 112 112 LYS HB3 H 1 1.971 0.003 . 2 . . . A 112 LYS HB3 . 18229 1 1413 . 1 1 112 112 LYS HG2 H 1 1.748 0.005 . 2 . . . A 112 LYS HG2 . 18229 1 1414 . 1 1 112 112 LYS HG3 H 1 1.622 0.004 . 2 . . . A 112 LYS HG3 . 18229 1 1415 . 1 1 112 112 LYS HD2 H 1 1.785 0.004 . 2 . . . A 112 LYS HD2 . 18229 1 1416 . 1 1 112 112 LYS HD3 H 1 1.680 0.001 . 2 . . . A 112 LYS HD3 . 18229 1 1417 . 1 1 112 112 LYS HE2 H 1 3.080 0.003 . 2 . . . A 112 LYS HE2 . 18229 1 1418 . 1 1 112 112 LYS HE3 H 1 3.010 0.018 . 2 . . . A 112 LYS HE3 . 18229 1 1419 . 1 1 112 112 LYS C C 13 177.893 . . 1 . . . A 112 LYS C . 18229 1 1420 . 1 1 112 112 LYS CA C 13 57.589 0.033 . 1 . . . A 112 LYS CA . 18229 1 1421 . 1 1 112 112 LYS CB C 13 32.603 0.011 . 1 . . . A 112 LYS CB . 18229 1 1422 . 1 1 112 112 LYS CG C 13 25.121 0.027 . 1 . . . A 112 LYS CG . 18229 1 1423 . 1 1 112 112 LYS CD C 13 28.922 0.05 . 1 . . . A 112 LYS CD . 18229 1 1424 . 1 1 112 112 LYS CE C 13 42.110 0.073 . 1 . . . A 112 LYS CE . 18229 1 1425 . 1 1 112 112 LYS N N 15 120.615 . . 1 . . . A 112 LYS N . 18229 1 1426 . 1 1 113 113 ASP H H 1 8.191 . . 1 . . . A 113 ASP H . 18229 1 1427 . 1 1 113 113 ASP HA H 1 4.644 0.002 . 1 . . . A 113 ASP HA . 18229 1 1428 . 1 1 113 113 ASP HB2 H 1 2.810 0.005 . 2 . . . A 113 ASP HB2 . 18229 1 1429 . 1 1 113 113 ASP HB3 H 1 2.810 0.005 . 2 . . . A 113 ASP HB3 . 18229 1 1430 . 1 1 113 113 ASP C C 13 176.950 . . 1 . . . A 113 ASP C . 18229 1 1431 . 1 1 113 113 ASP CA C 13 55.263 . . 1 . . . A 113 ASP CA . 18229 1 1432 . 1 1 113 113 ASP CB C 13 40.891 0.028 . 1 . . . A 113 ASP CB . 18229 1 1433 . 1 1 113 113 ASP N N 15 120.325 . . 1 . . . A 113 ASP N . 18229 1 1434 . 1 1 114 114 ALA H H 1 7.900 . . 1 . . . A 114 ALA H . 18229 1 1435 . 1 1 114 114 ALA HA H 1 4.348 0.005 . 1 . . . A 114 ALA HA . 18229 1 1436 . 1 1 114 114 ALA HB1 H 1 1.507 0.003 . 1 . . . A 114 ALA HB1 . 18229 1 1437 . 1 1 114 114 ALA HB2 H 1 1.507 0.003 . 1 . . . A 114 ALA HB2 . 18229 1 1438 . 1 1 114 114 ALA HB3 H 1 1.507 0.003 . 1 . . . A 114 ALA HB3 . 18229 1 1439 . 1 1 114 114 ALA C C 13 178.055 . . 1 . . . A 114 ALA C . 18229 1 1440 . 1 1 114 114 ALA CA C 13 53.174 0.053 . 1 . . . A 114 ALA CA . 18229 1 1441 . 1 1 114 114 ALA CB C 13 19.100 0.028 . 1 . . . A 114 ALA CB . 18229 1 1442 . 1 1 114 114 ALA N N 15 122.906 . . 1 . . . A 114 ALA N . 18229 1 1443 . 1 1 115 115 ASP H H 1 8.119 . . 1 . . . A 115 ASP H . 18229 1 1444 . 1 1 115 115 ASP HA H 1 4.651 0.003 . 1 . . . A 115 ASP HA . 18229 1 1445 . 1 1 115 115 ASP HB2 H 1 2.810 0.002 . 2 . . . A 115 ASP HB2 . 18229 1 1446 . 1 1 115 115 ASP HB3 H 1 2.761 0.002 . 2 . . . A 115 ASP HB3 . 18229 1 1447 . 1 1 115 115 ASP C C 13 177.090 . . 1 . . . A 115 ASP C . 18229 1 1448 . 1 1 115 115 ASP CA C 13 54.948 0.043 . 1 . . . A 115 ASP CA . 18229 1 1449 . 1 1 115 115 ASP CB C 13 41.469 . . 1 . . . A 115 ASP CB . 18229 1 1450 . 1 1 115 115 ASP N N 15 118.919 . . 1 . . . A 115 ASP N . 18229 1 1451 . 1 1 116 116 GLY H H 1 8.217 . . 1 . . . A 116 GLY H . 18229 1 1452 . 1 1 116 116 GLY HA2 H 1 4.003 0.001 . 1 . . . A 116 GLY HA2 . 18229 1 1453 . 1 1 116 116 GLY HA3 H 1 4.003 0.001 . 1 . . . A 116 GLY HA3 . 18229 1 1454 . 1 1 116 116 GLY C C 13 174.366 . . 1 . . . A 116 GLY C . 18229 1 1455 . 1 1 116 116 GLY CA C 13 45.802 . . 1 . . . A 116 GLY CA . 18229 1 1456 . 1 1 116 116 GLY N N 15 108.816 . . 1 . . . A 116 GLY N . 18229 1 1457 . 1 1 117 117 ASN H H 1 8.317 . . 1 . . . A 117 ASN H . 18229 1 1458 . 1 1 117 117 ASN HA H 1 4.852 0.001 . 1 . . . A 117 ASN HA . 18229 1 1459 . 1 1 117 117 ASN HB2 H 1 2.822 0.002 . 2 . . . A 117 ASN HB2 . 18229 1 1460 . 1 1 117 117 ASN HB3 H 1 2.900 0.003 . 2 . . . A 117 ASN HB3 . 18229 1 1461 . 1 1 117 117 ASN HD21 H 1 7.663 . . 1 . . . A 117 ASN HD21 . 18229 1 1462 . 1 1 117 117 ASN HD22 H 1 6.941 . . 1 . . . A 117 ASN HD22 . 18229 1 1463 . 1 1 117 117 ASN C C 13 175.359 . . 1 . . . A 117 ASN C . 18229 1 1464 . 1 1 117 117 ASN CA C 13 53.229 0.022 . 1 . . . A 117 ASN CA . 18229 1 1465 . 1 1 117 117 ASN CB C 13 39.193 0.012 . 1 . . . A 117 ASN CB . 18229 1 1466 . 1 1 117 117 ASN N N 15 118.871 . . 1 . . . A 117 ASN N . 18229 1 1467 . 1 1 117 117 ASN ND2 N 15 113.528 . . 1 . . . A 117 ASN ND2 . 18229 1 1468 . 1 1 118 118 SER H H 1 8.329 . . 1 . . . A 118 SER H . 18229 1 1469 . 1 1 118 118 SER HA H 1 4.557 0.003 . 1 . . . A 118 SER HA . 18229 1 1470 . 1 1 118 118 SER HB2 H 1 3.931 0.005 . 2 . . . A 118 SER HB2 . 18229 1 1471 . 1 1 118 118 SER HB3 H 1 3.931 0.005 . 2 . . . A 118 SER HB3 . 18229 1 1472 . 1 1 118 118 SER C C 13 173.789 . . 1 . . . A 118 SER C . 18229 1 1473 . 1 1 118 118 SER CA C 13 58.410 0.013 . 1 . . . A 118 SER CA . 18229 1 1474 . 1 1 118 118 SER CB C 13 63.939 0.001 . 1 . . . A 118 SER CB . 18229 1 1475 . 1 1 118 118 SER N N 15 116.555 . . 1 . . . A 118 SER N . 18229 1 1476 . 1 1 119 119 SER H H 1 8.016 . . 1 . . . A 119 SER H . 18229 1 1477 . 1 1 119 119 SER HA H 1 4.306 0.002 . 1 . . . A 119 SER HA . 18229 1 1478 . 1 1 119 119 SER HB2 H 1 3.875 0.002 . 2 . . . A 119 SER HB2 . 18229 1 1479 . 1 1 119 119 SER HB3 H 1 3.875 0.002 . 2 . . . A 119 SER HB3 . 18229 1 1480 . 1 1 119 119 SER CA C 13 60.007 0.019 . 1 . . . A 119 SER CA . 18229 1 1481 . 1 1 119 119 SER CB C 13 64.719 0.043 . 1 . . . A 119 SER CB . 18229 1 1482 . 1 1 119 119 SER N N 15 123.353 . . 1 . . . A 119 SER N . 18229 1 1483 . 2 2 4 4 ILE C C 13 176.117 . . 1 . . . B 643 ILE C . 18229 1 1484 . 2 2 4 4 ILE CA C 13 61.194 . . 1 . . . B 643 ILE CA . 18229 1 1485 . 2 2 4 4 ILE CB C 13 38.518 . . 1 . . . B 643 ILE CB . 18229 1 1486 . 2 2 5 5 LEU H H 1 8.243 . . 1 . . . B 644 LEU H . 18229 1 1487 . 2 2 5 5 LEU HA H 1 4.372 . . 1 . . . B 644 LEU HA . 18229 1 1488 . 2 2 5 5 LEU HB2 H 1 1.685 . . 1 . . . B 644 LEU HB2 . 18229 1 1489 . 2 2 5 5 LEU HB3 H 1 1.685 . . 1 . . . B 644 LEU HB3 . 18229 1 1490 . 2 2 5 5 LEU HG H 1 1.685 . . 1 . . . B 644 LEU HG . 18229 1 1491 . 2 2 5 5 LEU HD11 H 1 0.967 . . 1 . . . B 644 LEU HD11 . 18229 1 1492 . 2 2 5 5 LEU HD12 H 1 0.967 . . 1 . . . B 644 LEU HD12 . 18229 1 1493 . 2 2 5 5 LEU HD13 H 1 0.967 . . 1 . . . B 644 LEU HD13 . 18229 1 1494 . 2 2 5 5 LEU HD21 H 1 0.967 . . 1 . . . B 644 LEU HD21 . 18229 1 1495 . 2 2 5 5 LEU HD22 H 1 0.967 . . 1 . . . B 644 LEU HD22 . 18229 1 1496 . 2 2 5 5 LEU HD23 H 1 0.967 . . 1 . . . B 644 LEU HD23 . 18229 1 1497 . 2 2 5 5 LEU C C 13 176.764 . . 1 . . . B 644 LEU C . 18229 1 1498 . 2 2 5 5 LEU CA C 13 55.212 . . 1 . . . B 644 LEU CA . 18229 1 1499 . 2 2 5 5 LEU CB C 13 42.369 . . 1 . . . B 644 LEU CB . 18229 1 1500 . 2 2 5 5 LEU CG C 13 27.089 . . 1 . . . B 644 LEU CG . 18229 1 1501 . 2 2 5 5 LEU CD1 C 13 24.882 . . 2 . . . B 644 LEU CD1 . 18229 1 1502 . 2 2 5 5 LEU CD2 C 13 23.922 . . 2 . . . B 644 LEU CD2 . 18229 1 1503 . 2 2 5 5 LEU N N 15 126.349 . . 1 . . . B 644 LEU N . 18229 1 1504 . 2 2 6 6 GLU H H 1 8.640 . . 1 . . . B 645 GLU H . 18229 1 1505 . 2 2 6 6 GLU HA H 1 4.314 . . 1 . . . B 645 GLU HA . 18229 1 1506 . 2 2 6 6 GLU HB2 H 1 2.007 . . 2 . . . B 645 GLU HB2 . 18229 1 1507 . 2 2 6 6 GLU HB3 H 1 2.112 . . 2 . . . B 645 GLU HB3 . 18229 1 1508 . 2 2 6 6 GLU HG2 H 1 2.338 . . 1 . . . B 645 GLU HG2 . 18229 1 1509 . 2 2 6 6 GLU HG3 H 1 2.338 . . 1 . . . B 645 GLU HG3 . 18229 1 1510 . 2 2 6 6 GLU C C 13 176.413 . . 1 . . . B 645 GLU C . 18229 1 1511 . 2 2 6 6 GLU CA C 13 56.974 . . 1 . . . B 645 GLU CA . 18229 1 1512 . 2 2 6 6 GLU CB C 13 30.123 . . 1 . . . B 645 GLU CB . 18229 1 1513 . 2 2 6 6 GLU CG C 13 36.330 . . 1 . . . B 645 GLU CG . 18229 1 1514 . 2 2 6 6 GLU N N 15 123.191 . . 1 . . . B 645 GLU N . 18229 1 1515 . 2 2 7 7 ARG H H 1 8.307 . . 1 . . . B 646 ARG H . 18229 1 1516 . 2 2 7 7 ARG HA H 1 4.372 . . 1 . . . B 646 ARG HA . 18229 1 1517 . 2 2 7 7 ARG HB2 H 1 1.825 . . 2 . . . B 646 ARG HB2 . 18229 1 1518 . 2 2 7 7 ARG HB3 H 1 1.915 . . 2 . . . B 646 ARG HB3 . 18229 1 1519 . 2 2 7 7 ARG HG2 H 1 1.685 . . 1 . . . B 646 ARG HG2 . 18229 1 1520 . 2 2 7 7 ARG HG3 H 1 1.685 . . 1 . . . B 646 ARG HG3 . 18229 1 1521 . 2 2 7 7 ARG HD2 H 1 3.254 . . 1 . . . B 646 ARG HD2 . 18229 1 1522 . 2 2 7 7 ARG HD3 H 1 3.254 . . 1 . . . B 646 ARG HD3 . 18229 1 1523 . 2 2 7 7 ARG HE H 1 7.272 . . 1 . . . B 646 ARG HE . 18229 1 1524 . 2 2 7 7 ARG C C 13 176.494 . . 1 . . . B 646 ARG C . 18229 1 1525 . 2 2 7 7 ARG CA C 13 56.161 . . 1 . . . B 646 ARG CA . 18229 1 1526 . 2 2 7 7 ARG CB C 13 30.988 . . 1 . . . B 646 ARG CB . 18229 1 1527 . 2 2 7 7 ARG CG C 13 27.089 . . 1 . . . B 646 ARG CG . 18229 1 1528 . 2 2 7 7 ARG CD C 13 43.331 . . 1 . . . B 646 ARG CD . 18229 1 1529 . 2 2 7 7 ARG N N 15 121.703 . . 1 . . . B 646 ARG N . 18229 1 1530 . 2 2 7 7 ARG NE N 15 124.512 . . 1 . . . B 646 ARG NE . 18229 1 1531 . 2 2 8 8 GLU H H 1 8.553 . . 1 . . . B 647 GLU H . 18229 1 1532 . 2 2 8 8 GLU HA H 1 4.314 . . 1 . . . B 647 GLU HA . 18229 1 1533 . 2 2 8 8 GLU HB2 H 1 2.007 . . 2 . . . B 647 GLU HB2 . 18229 1 1534 . 2 2 8 8 GLU HB3 H 1 2.112 . . 2 . . . B 647 GLU HB3 . 18229 1 1535 . 2 2 8 8 GLU HG2 H 1 2.338 . . 1 . . . B 647 GLU HG2 . 18229 1 1536 . 2 2 8 8 GLU HG3 H 1 2.338 . . 1 . . . B 647 GLU HG3 . 18229 1 1537 . 2 2 8 8 GLU C C 13 176.799 . . 1 . . . B 647 GLU C . 18229 1 1538 . 2 2 8 8 GLU CA C 13 56.974 . . 1 . . . B 647 GLU CA . 18229 1 1539 . 2 2 8 8 GLU CB C 13 30.123 . . 1 . . . B 647 GLU CB . 18229 1 1540 . 2 2 8 8 GLU CG C 13 36.330 . . 1 . . . B 647 GLU CG . 18229 1 1541 . 2 2 8 8 GLU N N 15 122.357 . . 1 . . . B 647 GLU N . 18229 1 1542 . 2 2 9 9 SER H H 1 8.326 . . 1 . . . B 648 SER H . 18229 1 1543 . 2 2 9 9 SER HA H 1 4.444 . . 1 . . . B 648 SER HA . 18229 1 1544 . 2 2 9 9 SER HB2 H 1 3.924 . . 1 . . . B 648 SER HB2 . 18229 1 1545 . 2 2 9 9 SER HB3 H 1 3.924 . . 1 . . . B 648 SER HB3 . 18229 1 1546 . 2 2 9 9 SER C C 13 174.720 . . 1 . . . B 648 SER C . 18229 1 1547 . 2 2 9 9 SER CA C 13 58.679 . . 1 . . . B 648 SER CA . 18229 1 1548 . 2 2 9 9 SER CB C 13 63.770 . . 1 . . . B 648 SER CB . 18229 1 1549 . 2 2 9 9 SER N N 15 116.353 . . 1 . . . B 648 SER N . 18229 1 1550 . 2 2 10 10 GLU H H 1 8.430 . . 1 . . . B 649 GLU H . 18229 1 1551 . 2 2 10 10 GLU HA H 1 4.314 . . 1 . . . B 649 GLU HA . 18229 1 1552 . 2 2 10 10 GLU CA C 13 56.974 . . 1 . . . B 649 GLU CA . 18229 1 1553 . 2 2 10 10 GLU CB C 13 30.196 . . 1 . . . B 649 GLU CB . 18229 1 1554 . 2 2 10 10 GLU N N 15 122.770 . . 1 . . . B 649 GLU N . 18229 1 1555 . 2 2 11 11 LYS C C 13 176.683 . . 1 . . . B 650 LYS C . 18229 1 1556 . 2 2 11 11 LYS CA C 13 56.443 . . 1 . . . B 650 LYS CA . 18229 1 1557 . 2 2 11 11 LYS CB C 13 33.225 . . 1 . . . B 650 LYS CB . 18229 1 1558 . 2 2 11 11 LYS CG C 13 24.739 . . 1 . . . B 650 LYS CG . 18229 1 1559 . 2 2 11 11 LYS CD C 13 29.147 . . 1 . . . B 650 LYS CD . 18229 1 1560 . 2 2 11 11 LYS CE C 13 42.170 . . 1 . . . B 650 LYS CE . 18229 1 1561 . 2 2 12 12 GLU H H 1 8.459 . . 1 . . . B 651 GLU H . 18229 1 1562 . 2 2 12 12 GLU C C 13 176.624 . . 1 . . . B 651 GLU C . 18229 1 1563 . 2 2 12 12 GLU CA C 13 56.722 . . 1 . . . B 651 GLU CA . 18229 1 1564 . 2 2 12 12 GLU CB C 13 30.229 . . 1 . . . B 651 GLU CB . 18229 1 1565 . 2 2 12 12 GLU CG C 13 36.243 . . 1 . . . B 651 GLU CG . 18229 1 1566 . 2 2 12 12 GLU N N 15 122.132 . . 1 . . . B 651 GLU N . 18229 1 1567 . 2 2 13 13 SER H H 1 8.371 . . 1 . . . B 652 SER H . 18229 1 1568 . 2 2 13 13 SER C C 13 174.620 . . 1 . . . B 652 SER C . 18229 1 1569 . 2 2 13 13 SER CA C 13 58.265 . . 1 . . . B 652 SER CA . 18229 1 1570 . 2 2 13 13 SER CB C 13 63.885 . . 1 . . . B 652 SER CB . 18229 1 1571 . 2 2 13 13 SER N N 15 117.099 . . 1 . . . B 652 SER N . 18229 1 1572 . 2 2 14 14 SER H H 1 8.409 . . 1 . . . B 653 SER H . 18229 1 1573 . 2 2 14 14 SER C C 13 174.407 . . 1 . . . B 653 SER C . 18229 1 1574 . 2 2 14 14 SER CA C 13 58.293 . . 1 . . . B 653 SER CA . 18229 1 1575 . 2 2 14 14 SER CB C 13 63.846 . . 1 . . . B 653 SER CB . 18229 1 1576 . 2 2 14 14 SER N N 15 117.859 . . 1 . . . B 653 SER N . 18229 1 1577 . 2 2 15 15 ASN H H 1 8.496 . . 1 . . . B 654 ASN H . 18229 1 1578 . 2 2 15 15 ASN HD21 H 1 6.921 . . 1 . . . B 654 ASN HD21 . 18229 1 1579 . 2 2 15 15 ASN HD22 H 1 7.640 . . 1 . . . B 654 ASN HD22 . 18229 1 1580 . 2 2 15 15 ASN CA C 13 53.414 . . 1 . . . B 654 ASN CA . 18229 1 1581 . 2 2 15 15 ASN CB C 13 39.171 . . 1 . . . B 654 ASN CB . 18229 1 1582 . 2 2 15 15 ASN N N 15 120.907 . . 1 . . . B 654 ASN N . 18229 1 1583 . 2 2 15 15 ASN ND2 N 15 113.243 . . 1 . . . B 654 ASN ND2 . 18229 1 1584 . 2 2 17 17 GLU C C 13 176.309 . . 1 . . . B 656 GLU C . 18229 1 1585 . 2 2 17 17 GLU CA C 13 56.864 . . 1 . . . B 656 GLU CA . 18229 1 1586 . 2 2 17 17 GLU CB C 13 30.300 . . 1 . . . B 656 GLU CB . 18229 1 1587 . 2 2 18 18 ASN H H 1 8.454 . . 1 . . . B 657 ASN H . 18229 1 1588 . 2 2 18 18 ASN HD21 H 1 6.936 . . 1 . . . B 657 ASN HD21 . 18229 1 1589 . 2 2 18 18 ASN HD22 H 1 7.639 . . 1 . . . B 657 ASN HD22 . 18229 1 1590 . 2 2 18 18 ASN CA C 13 53.394 . . 1 . . . B 657 ASN CA . 18229 1 1591 . 2 2 18 18 ASN CB C 13 38.994 . . 1 . . . B 657 ASN CB . 18229 1 1592 . 2 2 18 18 ASN N N 15 119.502 . . 1 . . . B 657 ASN N . 18229 1 1593 . 2 2 18 18 ASN ND2 N 15 112.704 . . 1 . . . B 657 ASN ND2 . 18229 1 1594 . 2 2 21 21 ASP C C 13 176.172 . . 1 . . . B 660 ASP C . 18229 1 1595 . 2 2 21 21 ASP CA C 13 54.605 . . 1 . . . B 660 ASP CA . 18229 1 1596 . 2 2 21 21 ASP CB C 13 41.226 . . 1 . . . B 660 ASP CB . 18229 1 1597 . 2 2 22 22 ASP H H 1 8.259 . . 1 . . . B 661 ASP H . 18229 1 1598 . 2 2 22 22 ASP HA H 1 4.567 0.004 . 1 . . . B 661 ASP HA . 18229 1 1599 . 2 2 22 22 ASP HB2 H 1 2.742 0.001 . 2 . . . B 661 ASP HB2 . 18229 1 1600 . 2 2 22 22 ASP HB3 H 1 2.659 0.005 . 2 . . . B 661 ASP HB3 . 18229 1 1601 . 2 2 22 22 ASP C C 13 176.486 . . 1 . . . B 661 ASP C . 18229 1 1602 . 2 2 22 22 ASP CA C 13 54.452 0.031 . 1 . . . B 661 ASP CA . 18229 1 1603 . 2 2 22 22 ASP CB C 13 40.864 0.037 . 1 . . . B 661 ASP CB . 18229 1 1604 . 2 2 22 22 ASP N N 15 120.495 . . 1 . . . B 661 ASP N . 18229 1 1605 . 2 2 23 23 LEU H H 1 8.038 . . 1 . . . B 662 LEU H . 18229 1 1606 . 2 2 23 23 LEU HA H 1 4.231 0.004 . 1 . . . B 662 LEU HA . 18229 1 1607 . 2 2 23 23 LEU HB2 H 1 1.707 0.007 . 2 . . . B 662 LEU HB2 . 18229 1 1608 . 2 2 23 23 LEU HB3 H 1 1.601 0.006 . 2 . . . B 662 LEU HB3 . 18229 1 1609 . 2 2 23 23 LEU HG H 1 1.652 0.007 . 1 . . . B 662 LEU HG . 18229 1 1610 . 2 2 23 23 LEU HD11 H 1 0.929 0.001 . 2 . . . B 662 LEU HD11 . 18229 1 1611 . 2 2 23 23 LEU HD12 H 1 0.929 0.001 . 2 . . . B 662 LEU HD12 . 18229 1 1612 . 2 2 23 23 LEU HD13 H 1 0.929 0.001 . 2 . . . B 662 LEU HD13 . 18229 1 1613 . 2 2 23 23 LEU HD21 H 1 0.864 0.002 . 2 . . . B 662 LEU HD21 . 18229 1 1614 . 2 2 23 23 LEU HD22 H 1 0.864 0.002 . 2 . . . B 662 LEU HD22 . 18229 1 1615 . 2 2 23 23 LEU HD23 H 1 0.864 0.002 . 2 . . . B 662 LEU HD23 . 18229 1 1616 . 2 2 23 23 LEU C C 13 177.967 . . 1 . . . B 662 LEU C . 18229 1 1617 . 2 2 23 23 LEU CA C 13 55.826 0.031 . 1 . . . B 662 LEU CA . 18229 1 1618 . 2 2 23 23 LEU CB C 13 42.173 0.039 . 1 . . . B 662 LEU CB . 18229 1 1619 . 2 2 23 23 LEU CG C 13 27.126 0.023 . 1 . . . B 662 LEU CG . 18229 1 1620 . 2 2 23 23 LEU CD1 C 13 24.942 0.051 . 2 . . . B 662 LEU CD1 . 18229 1 1621 . 2 2 23 23 LEU CD2 C 13 23.681 0.078 . 2 . . . B 662 LEU CD2 . 18229 1 1622 . 2 2 23 23 LEU N N 15 121.642 . . 1 . . . B 662 LEU N . 18229 1 1623 . 2 2 24 24 GLU H H 1 8.294 . . 1 . . . B 663 GLU H . 18229 1 1624 . 2 2 24 24 GLU HA H 1 4.202 0.003 . 1 . . . B 663 GLU HA . 18229 1 1625 . 2 2 24 24 GLU HB2 H 1 2.061 0.002 . 2 . . . B 663 GLU HB2 . 18229 1 1626 . 2 2 24 24 GLU HB3 H 1 2.003 0.001 . 2 . . . B 663 GLU HB3 . 18229 1 1627 . 2 2 24 24 GLU HG2 H 1 2.226 0.007 . 2 . . . B 663 GLU HG2 . 18229 1 1628 . 2 2 24 24 GLU HG3 H 1 2.290 0.034 . 2 . . . B 663 GLU HG3 . 18229 1 1629 . 2 2 24 24 GLU C C 13 176.916 . . 1 . . . B 663 GLU C . 18229 1 1630 . 2 2 24 24 GLU CA C 13 57.278 0.055 . 1 . . . B 663 GLU CA . 18229 1 1631 . 2 2 24 24 GLU CB C 13 29.760 0.015 . 1 . . . B 663 GLU CB . 18229 1 1632 . 2 2 24 24 GLU CG C 13 35.909 . . 1 . . . B 663 GLU CG . 18229 1 1633 . 2 2 24 24 GLU N N 15 120.920 . . 1 . . . B 663 GLU N . 18229 1 1634 . 2 2 25 25 VAL H H 1 7.954 . . 1 . . . B 664 VAL H . 18229 1 1635 . 2 2 25 25 VAL HA H 1 4.037 0.002 . 1 . . . B 664 VAL HA . 18229 1 1636 . 2 2 25 25 VAL HB H 1 2.111 0.006 . 1 . . . B 664 VAL HB . 18229 1 1637 . 2 2 25 25 VAL HG11 H 1 0.964 0.006 . 1 . . . B 664 VAL HG11 . 18229 1 1638 . 2 2 25 25 VAL HG12 H 1 0.964 0.006 . 1 . . . B 664 VAL HG12 . 18229 1 1639 . 2 2 25 25 VAL HG13 H 1 0.964 0.006 . 1 . . . B 664 VAL HG13 . 18229 1 1640 . 2 2 25 25 VAL HG21 H 1 0.964 0.006 . 1 . . . B 664 VAL HG21 . 18229 1 1641 . 2 2 25 25 VAL HG22 H 1 0.964 0.006 . 1 . . . B 664 VAL HG22 . 18229 1 1642 . 2 2 25 25 VAL HG23 H 1 0.964 0.006 . 1 . . . B 664 VAL HG23 . 18229 1 1643 . 2 2 25 25 VAL C C 13 176.560 . . 1 . . . B 664 VAL C . 18229 1 1644 . 2 2 25 25 VAL CA C 13 63.066 0.007 . 1 . . . B 664 VAL CA . 18229 1 1645 . 2 2 25 25 VAL CB C 13 32.388 0.003 . 1 . . . B 664 VAL CB . 18229 1 1646 . 2 2 25 25 VAL CG1 C 13 21.229 0.043 . 2 . . . B 664 VAL CG1 . 18229 1 1647 . 2 2 25 25 VAL CG2 C 13 21.241 0.045 . 2 . . . B 664 VAL CG2 . 18229 1 1648 . 2 2 25 25 VAL N N 15 120.421 . . 1 . . . B 664 VAL N . 18229 1 1649 . 2 2 26 26 LEU H H 1 8.128 . . 1 . . . B 665 LEU H . 18229 1 1650 . 2 2 26 26 LEU HA H 1 4.359 0.003 . 1 . . . B 665 LEU HA . 18229 1 1651 . 2 2 26 26 LEU HB2 H 1 1.710 0.012 . 2 . . . B 665 LEU HB2 . 18229 1 1652 . 2 2 26 26 LEU HB3 H 1 1.602 0.006 . 2 . . . B 665 LEU HB3 . 18229 1 1653 . 2 2 26 26 LEU HG H 1 1.653 0.001 . 1 . . . B 665 LEU HG . 18229 1 1654 . 2 2 26 26 LEU HD11 H 1 0.863 0.002 . 2 . . . B 665 LEU HD11 . 18229 1 1655 . 2 2 26 26 LEU HD12 H 1 0.863 0.002 . 2 . . . B 665 LEU HD12 . 18229 1 1656 . 2 2 26 26 LEU HD13 H 1 0.863 0.002 . 2 . . . B 665 LEU HD13 . 18229 1 1657 . 2 2 26 26 LEU HD21 H 1 0.925 0.003 . 2 . . . B 665 LEU HD21 . 18229 1 1658 . 2 2 26 26 LEU HD22 H 1 0.925 0.003 . 2 . . . B 665 LEU HD22 . 18229 1 1659 . 2 2 26 26 LEU HD23 H 1 0.925 0.003 . 2 . . . B 665 LEU HD23 . 18229 1 1660 . 2 2 26 26 LEU C C 13 177.484 . . 1 . . . B 665 LEU C . 18229 1 1661 . 2 2 26 26 LEU CA C 13 55.274 0.009 . 1 . . . B 665 LEU CA . 18229 1 1662 . 2 2 26 26 LEU CB C 13 42.247 0.05 . 1 . . . B 665 LEU CB . 18229 1 1663 . 2 2 26 26 LEU CG C 13 27.142 . . 1 . . . B 665 LEU CG . 18229 1 1664 . 2 2 26 26 LEU N N 15 124.228 . . 1 . . . B 665 LEU N . 18229 1 1665 . 2 2 27 27 SER H H 1 8.061 . . 1 . . . B 666 SER H . 18229 1 1666 . 2 2 27 27 SER HA H 1 4.411 0.003 . 1 . . . B 666 SER HA . 18229 1 1667 . 2 2 27 27 SER HB2 H 1 3.870 0.004 . 2 . . . B 666 SER HB2 . 18229 1 1668 . 2 2 27 27 SER HB3 H 1 3.950 0.003 . 2 . . . B 666 SER HB3 . 18229 1 1669 . 2 2 27 27 SER C C 13 175.105 . . 1 . . . B 666 SER C . 18229 1 1670 . 2 2 27 27 SER CA C 13 58.661 0.021 . 1 . . . B 666 SER CA . 18229 1 1671 . 2 2 27 27 SER CB C 13 63.545 0.024 . 1 . . . B 666 SER CB . 18229 1 1672 . 2 2 27 27 SER N N 15 116.084 . . 1 . . . B 666 SER N . 18229 1 1673 . 2 2 28 28 GLU H H 1 8.373 . . 1 . . . B 667 GLU H . 18229 1 1674 . 2 2 28 28 GLU HA H 1 4.279 0.008 . 1 . . . B 667 GLU HA . 18229 1 1675 . 2 2 28 28 GLU HB2 H 1 2.068 0.014 . 2 . . . B 667 GLU HB2 . 18229 1 1676 . 2 2 28 28 GLU HB3 H 1 2.172 0.009 . 2 . . . B 667 GLU HB3 . 18229 1 1677 . 2 2 28 28 GLU HG2 H 1 2.394 0.004 . 1 . . . B 667 GLU HG2 . 18229 1 1678 . 2 2 28 28 GLU HG3 H 1 2.394 0.004 . 1 . . . B 667 GLU HG3 . 18229 1 1679 . 2 2 28 28 GLU C C 13 177.515 . . 1 . . . B 667 GLU C . 18229 1 1680 . 2 2 28 28 GLU CA C 13 57.815 0.133 . 1 . . . B 667 GLU CA . 18229 1 1681 . 2 2 28 28 GLU CB C 13 30.102 0.052 . 1 . . . B 667 GLU CB . 18229 1 1682 . 2 2 28 28 GLU CG C 13 36.120 . . 1 . . . B 667 GLU CG . 18229 1 1683 . 2 2 28 28 GLU N N 15 122.929 . . 1 . . . B 667 GLU N . 18229 1 1684 . 2 2 29 29 GLU H H 1 8.380 . . 1 . . . B 668 GLU H . 18229 1 1685 . 2 2 29 29 GLU HA H 1 4.282 0.003 . 1 . . . B 668 GLU HA . 18229 1 1686 . 2 2 29 29 GLU HB2 H 1 2.084 0.003 . 2 . . . B 668 GLU HB2 . 18229 1 1687 . 2 2 29 29 GLU HB3 H 1 1.987 0.006 . 2 . . . B 668 GLU HB3 . 18229 1 1688 . 2 2 29 29 GLU HG2 H 1 2.309 0.007 . 1 . . . B 668 GLU HG2 . 18229 1 1689 . 2 2 29 29 GLU HG3 H 1 2.309 0.007 . 1 . . . B 668 GLU HG3 . 18229 1 1690 . 2 2 29 29 GLU C C 13 176.343 . . 1 . . . B 668 GLU C . 18229 1 1691 . 2 2 29 29 GLU CA C 13 57.058 . . 1 . . . B 668 GLU CA . 18229 1 1692 . 2 2 29 29 GLU CB C 13 29.675 0.0 . 1 . . . B 668 GLU CB . 18229 1 1693 . 2 2 29 29 GLU CG C 13 36.359 0.05 . 1 . . . B 668 GLU CG . 18229 1 1694 . 2 2 29 29 GLU N N 15 118.383 . . 1 . . . B 668 GLU N . 18229 1 1695 . 2 2 30 30 LEU H H 1 7.725 . . 1 . . . B 669 LEU H . 18229 1 1696 . 2 2 30 30 LEU HA H 1 4.213 0.003 . 1 . . . B 669 LEU HA . 18229 1 1697 . 2 2 30 30 LEU HB2 H 1 1.320 0.004 . 2 . . . B 669 LEU HB2 . 18229 1 1698 . 2 2 30 30 LEU HB3 H 1 1.495 0.002 . 2 . . . B 669 LEU HB3 . 18229 1 1699 . 2 2 30 30 LEU HG H 1 1.487 0.005 . 1 . . . B 669 LEU HG . 18229 1 1700 . 2 2 30 30 LEU HD11 H 1 0.806 0.003 . 2 . . . B 669 LEU HD11 . 18229 1 1701 . 2 2 30 30 LEU HD12 H 1 0.806 0.003 . 2 . . . B 669 LEU HD12 . 18229 1 1702 . 2 2 30 30 LEU HD13 H 1 0.806 0.003 . 2 . . . B 669 LEU HD13 . 18229 1 1703 . 2 2 30 30 LEU HD21 H 1 0.878 0.004 . 2 . . . B 669 LEU HD21 . 18229 1 1704 . 2 2 30 30 LEU HD22 H 1 0.878 0.004 . 2 . . . B 669 LEU HD22 . 18229 1 1705 . 2 2 30 30 LEU HD23 H 1 0.878 0.004 . 2 . . . B 669 LEU HD23 . 18229 1 1706 . 2 2 30 30 LEU C C 13 175.886 . . 1 . . . B 669 LEU C . 18229 1 1707 . 2 2 30 30 LEU CA C 13 55.396 0.006 . 1 . . . B 669 LEU CA . 18229 1 1708 . 2 2 30 30 LEU CB C 13 42.972 0.02 . 1 . . . B 669 LEU CB . 18229 1 1709 . 2 2 30 30 LEU CG C 13 27.133 0.03 . 1 . . . B 669 LEU CG . 18229 1 1710 . 2 2 30 30 LEU CD1 C 13 24.928 0.033 . 2 . . . B 669 LEU CD1 . 18229 1 1711 . 2 2 30 30 LEU CD2 C 13 23.867 0.029 . 2 . . . B 669 LEU CD2 . 18229 1 1712 . 2 2 30 30 LEU N N 15 120.695 . . 1 . . . B 669 LEU N . 18229 1 1713 . 2 2 31 31 PHE H H 1 7.484 . . 1 . . . B 670 PHE H . 18229 1 1714 . 2 2 31 31 PHE HA H 1 4.310 0.006 . 1 . . . B 670 PHE HA . 18229 1 1715 . 2 2 31 31 PHE HB2 H 1 2.746 0.01 . 2 . . . B 670 PHE HB2 . 18229 1 1716 . 2 2 31 31 PHE HB3 H 1 2.746 0.01 . 2 . . . B 670 PHE HB3 . 18229 1 1717 . 2 2 31 31 PHE HD1 H 1 7.029 0.009 . 3 . . . B 670 PHE HD1 . 18229 1 1718 . 2 2 31 31 PHE HD2 H 1 7.029 0.009 . 3 . . . B 670 PHE HD2 . 18229 1 1719 . 2 2 31 31 PHE HE1 H 1 7.225 0.008 . 3 . . . B 670 PHE HE1 . 18229 1 1720 . 2 2 31 31 PHE HE2 H 1 7.225 0.008 . 3 . . . B 670 PHE HE2 . 18229 1 1721 . 2 2 31 31 PHE C C 13 175.312 . . 1 . . . B 670 PHE C . 18229 1 1722 . 2 2 31 31 PHE CA C 13 58.760 0.072 . 1 . . . B 670 PHE CA . 18229 1 1723 . 2 2 31 31 PHE CB C 13 41.836 0.0 . 1 . . . B 670 PHE CB . 18229 1 1724 . 2 2 31 31 PHE CD1 C 13 130.578 0.056 . 3 . . . B 670 PHE CD1 . 18229 1 1725 . 2 2 31 31 PHE CD2 C 13 130.578 0.056 . 3 . . . B 670 PHE CD2 . 18229 1 1726 . 2 2 31 31 PHE CE1 C 13 128.135 0.025 . 3 . . . B 670 PHE CE1 . 18229 1 1727 . 2 2 31 31 PHE CE2 C 13 128.135 0.025 . 3 . . . B 670 PHE CE2 . 18229 1 1728 . 2 2 31 31 PHE N N 15 115.047 . . 1 . . . B 670 PHE N . 18229 1 1729 . 2 2 32 32 GLU H H 1 8.878 . . 1 . . . B 671 GLU H . 18229 1 1730 . 2 2 32 32 GLU HA H 1 4.775 0.004 . 1 . . . B 671 GLU HA . 18229 1 1731 . 2 2 32 32 GLU HB2 H 1 2.105 0.009 . 2 . . . B 671 GLU HB2 . 18229 1 1732 . 2 2 32 32 GLU HB3 H 1 2.105 0.009 . 2 . . . B 671 GLU HB3 . 18229 1 1733 . 2 2 32 32 GLU HG2 H 1 2.370 0.009 . 2 . . . B 671 GLU HG2 . 18229 1 1734 . 2 2 32 32 GLU HG3 H 1 2.275 0.006 . 2 . . . B 671 GLU HG3 . 18229 1 1735 . 2 2 32 32 GLU C C 13 175.971 . . 1 . . . B 671 GLU C . 18229 1 1736 . 2 2 32 32 GLU CA C 13 53.871 0.065 . 1 . . . B 671 GLU CA . 18229 1 1737 . 2 2 32 32 GLU CB C 13 32.501 0.031 . 1 . . . B 671 GLU CB . 18229 1 1738 . 2 2 32 32 GLU CG C 13 35.591 0.158 . 1 . . . B 671 GLU CG . 18229 1 1739 . 2 2 32 32 GLU N N 15 120.366 . . 1 . . . B 671 GLU N . 18229 1 1740 . 2 2 33 33 ASP H H 1 8.871 . . 1 . . . B 672 ASP H . 18229 1 1741 . 2 2 33 33 ASP HA H 1 4.754 0.006 . 1 . . . B 672 ASP HA . 18229 1 1742 . 2 2 33 33 ASP HB2 H 1 2.663 0.006 . 2 . . . B 672 ASP HB2 . 18229 1 1743 . 2 2 33 33 ASP HB3 H 1 2.575 0.006 . 2 . . . B 672 ASP HB3 . 18229 1 1744 . 2 2 33 33 ASP C C 13 176.406 . . 1 . . . B 672 ASP C . 18229 1 1745 . 2 2 33 33 ASP CA C 13 55.638 0.06 . 1 . . . B 672 ASP CA . 18229 1 1746 . 2 2 33 33 ASP CB C 13 40.843 . . 1 . . . B 672 ASP CB . 18229 1 1747 . 2 2 33 33 ASP N N 15 123.391 . . 1 . . . B 672 ASP N . 18229 1 1748 . 2 2 34 34 VAL H H 1 8.935 . . 1 . . . B 673 VAL H . 18229 1 1749 . 2 2 34 34 VAL HA H 1 4.485 0.004 . 1 . . . B 673 VAL HA . 18229 1 1750 . 2 2 34 34 VAL HB H 1 2.000 0.009 . 1 . . . B 673 VAL HB . 18229 1 1751 . 2 2 34 34 VAL HG11 H 1 0.942 0.008 . 2 . . . B 673 VAL HG11 . 18229 1 1752 . 2 2 34 34 VAL HG12 H 1 0.942 0.008 . 2 . . . B 673 VAL HG12 . 18229 1 1753 . 2 2 34 34 VAL HG13 H 1 0.942 0.008 . 2 . . . B 673 VAL HG13 . 18229 1 1754 . 2 2 34 34 VAL HG21 H 1 0.956 0.004 . 2 . . . B 673 VAL HG21 . 18229 1 1755 . 2 2 34 34 VAL HG22 H 1 0.956 0.004 . 2 . . . B 673 VAL HG22 . 18229 1 1756 . 2 2 34 34 VAL HG23 H 1 0.956 0.004 . 2 . . . B 673 VAL HG23 . 18229 1 1757 . 2 2 34 34 VAL CA C 13 59.320 0.031 . 1 . . . B 673 VAL CA . 18229 1 1758 . 2 2 34 34 VAL CB C 13 32.378 0.049 . 1 . . . B 673 VAL CB . 18229 1 1759 . 2 2 34 34 VAL CG1 C 13 21.142 0.068 . 2 . . . B 673 VAL CG1 . 18229 1 1760 . 2 2 34 34 VAL CG2 C 13 21.803 0.034 . 2 . . . B 673 VAL CG2 . 18229 1 1761 . 2 2 34 34 VAL N N 15 126.842 . . 1 . . . B 673 VAL N . 18229 1 1762 . 2 2 35 35 PRO HA H 1 4.549 0.003 . 1 . . . B 674 PRO HA . 18229 1 1763 . 2 2 35 35 PRO HB2 H 1 1.998 0.026 . 2 . . . B 674 PRO HB2 . 18229 1 1764 . 2 2 35 35 PRO HB3 H 1 2.395 0.006 . 2 . . . B 674 PRO HB3 . 18229 1 1765 . 2 2 35 35 PRO HG2 H 1 2.088 0.022 . 2 . . . B 674 PRO HG2 . 18229 1 1766 . 2 2 35 35 PRO HG3 H 1 2.094 0.007 . 2 . . . B 674 PRO HG3 . 18229 1 1767 . 2 2 35 35 PRO HD2 H 1 3.996 0.007 . 2 . . . B 674 PRO HD2 . 18229 1 1768 . 2 2 35 35 PRO HD3 H 1 3.741 0.008 . 2 . . . B 674 PRO HD3 . 18229 1 1769 . 2 2 35 35 PRO C C 13 177.603 . . 1 . . . B 674 PRO C . 18229 1 1770 . 2 2 35 35 PRO CA C 13 63.686 0.011 . 1 . . . B 674 PRO CA . 18229 1 1771 . 2 2 35 35 PRO CB C 13 32.384 0.11 . 1 . . . B 674 PRO CB . 18229 1 1772 . 2 2 35 35 PRO CG C 13 27.652 0.048 . 1 . . . B 674 PRO CG . 18229 1 1773 . 2 2 35 35 PRO CD C 13 51.057 0.036 . 1 . . . B 674 PRO CD . 18229 1 1774 . 2 2 36 36 THR H H 1 8.597 . . 1 . . . B 675 THR H . 18229 1 1775 . 2 2 36 36 THR HA H 1 4.514 0.003 . 1 . . . B 675 THR HA . 18229 1 1776 . 2 2 36 36 THR HB H 1 4.370 0.007 . 1 . . . B 675 THR HB . 18229 1 1777 . 2 2 36 36 THR HG21 H 1 1.318 0.003 . 1 . . . B 675 THR HG21 . 18229 1 1778 . 2 2 36 36 THR HG22 H 1 1.318 0.003 . 1 . . . B 675 THR HG22 . 18229 1 1779 . 2 2 36 36 THR HG23 H 1 1.318 0.003 . 1 . . . B 675 THR HG23 . 18229 1 1780 . 2 2 36 36 THR C C 13 174.005 . . 1 . . . B 675 THR C . 18229 1 1781 . 2 2 36 36 THR CA C 13 60.400 0.023 . 1 . . . B 675 THR CA . 18229 1 1782 . 2 2 36 36 THR CB C 13 69.627 0.044 . 1 . . . B 675 THR CB . 18229 1 1783 . 2 2 36 36 THR CG2 C 13 22.067 0.034 . 1 . . . B 675 THR CG2 . 18229 1 1784 . 2 2 36 36 THR N N 15 113.786 . . 1 . . . B 675 THR N . 18229 1 1785 . 2 2 37 37 LYS H H 1 7.764 . . 1 . . . B 676 LYS H . 18229 1 1786 . 2 2 37 37 LYS HA H 1 4.515 0.003 . 1 . . . B 676 LYS HA . 18229 1 1787 . 2 2 37 37 LYS HB2 H 1 1.782 0.002 . 2 . . . B 676 LYS HB2 . 18229 1 1788 . 2 2 37 37 LYS HB3 H 1 1.907 0.005 . 2 . . . B 676 LYS HB3 . 18229 1 1789 . 2 2 37 37 LYS HG2 H 1 1.481 0.009 . 2 . . . B 676 LYS HG2 . 18229 1 1790 . 2 2 37 37 LYS HG3 H 1 1.481 0.009 . 2 . . . B 676 LYS HG3 . 18229 1 1791 . 2 2 37 37 LYS HD2 H 1 1.748 0.019 . 2 . . . B 676 LYS HD2 . 18229 1 1792 . 2 2 37 37 LYS HD3 H 1 1.748 0.019 . 2 . . . B 676 LYS HD3 . 18229 1 1793 . 2 2 37 37 LYS HE2 H 1 3.039 0.002 . 1 . . . B 676 LYS HE2 . 18229 1 1794 . 2 2 37 37 LYS HE3 H 1 3.039 0.002 . 1 . . . B 676 LYS HE3 . 18229 1 1795 . 2 2 37 37 LYS C C 13 176.248 . . 1 . . . B 676 LYS C . 18229 1 1796 . 2 2 37 37 LYS CA C 13 55.748 0.035 . 1 . . . B 676 LYS CA . 18229 1 1797 . 2 2 37 37 LYS CB C 13 34.059 0.026 . 1 . . . B 676 LYS CB . 18229 1 1798 . 2 2 37 37 LYS CG C 13 24.631 0.061 . 1 . . . B 676 LYS CG . 18229 1 1799 . 2 2 37 37 LYS CD C 13 29.064 0.074 . 1 . . . B 676 LYS CD . 18229 1 1800 . 2 2 37 37 LYS CE C 13 42.092 0.016 . 1 . . . B 676 LYS CE . 18229 1 1801 . 2 2 37 37 LYS N N 15 120.766 . . 1 . . . B 676 LYS N . 18229 1 1802 . 2 2 38 38 SER H H 1 8.710 . . 1 . . . B 677 SER H . 18229 1 1803 . 2 2 38 38 SER HA H 1 4.450 0.004 . 1 . . . B 677 SER HA . 18229 1 1804 . 2 2 38 38 SER HB2 H 1 3.902 0.003 . 1 . . . B 677 SER HB2 . 18229 1 1805 . 2 2 38 38 SER HB3 H 1 3.902 0.003 . 1 . . . B 677 SER HB3 . 18229 1 1806 . 2 2 38 38 SER C C 13 174.708 . . 1 . . . B 677 SER C . 18229 1 1807 . 2 2 38 38 SER CA C 13 58.660 0.0 . 1 . . . B 677 SER CA . 18229 1 1808 . 2 2 38 38 SER CB C 13 63.731 0.058 . 1 . . . B 677 SER CB . 18229 1 1809 . 2 2 38 38 SER N N 15 118.796 . . 1 . . . B 677 SER N . 18229 1 1810 . 2 2 39 39 GLN H H 1 8.601 . . 1 . . . B 678 GLN H . 18229 1 1811 . 2 2 39 39 GLN HA H 1 4.421 0.005 . 1 . . . B 678 GLN HA . 18229 1 1812 . 2 2 39 39 GLN HB2 H 1 2.034 0.006 . 2 . . . B 678 GLN HB2 . 18229 1 1813 . 2 2 39 39 GLN HB3 H 1 2.171 0.006 . 2 . . . B 678 GLN HB3 . 18229 1 1814 . 2 2 39 39 GLN HG2 H 1 2.402 0.006 . 1 . . . B 678 GLN HG2 . 18229 1 1815 . 2 2 39 39 GLN HG3 H 1 2.402 0.006 . 1 . . . B 678 GLN HG3 . 18229 1 1816 . 2 2 39 39 GLN HE21 H 1 7.561 . . 1 . . . B 678 GLN HE21 . 18229 1 1817 . 2 2 39 39 GLN HE22 H 1 6.898 . . 1 . . . B 678 GLN HE22 . 18229 1 1818 . 2 2 39 39 GLN C C 13 175.947 . . 1 . . . B 678 GLN C . 18229 1 1819 . 2 2 39 39 GLN CA C 13 55.870 0.114 . 1 . . . B 678 GLN CA . 18229 1 1820 . 2 2 39 39 GLN CB C 13 29.516 0.076 . 1 . . . B 678 GLN CB . 18229 1 1821 . 2 2 39 39 GLN CG C 13 33.868 0.044 . 1 . . . B 678 GLN CG . 18229 1 1822 . 2 2 39 39 GLN N N 15 122.846 . . 1 . . . B 678 GLN N . 18229 1 1823 . 2 2 39 39 GLN NE2 N 15 112.531 . . 1 . . . B 678 GLN NE2 . 18229 1 1824 . 2 2 40 40 ILE H H 1 8.166 . . 1 . . . B 679 ILE H . 18229 1 1825 . 2 2 40 40 ILE HA H 1 4.184 0.009 . 1 . . . B 679 ILE HA . 18229 1 1826 . 2 2 40 40 ILE HB H 1 1.902 0.0 . 1 . . . B 679 ILE HB . 18229 1 1827 . 2 2 40 40 ILE HG12 H 1 1.518 0.005 . 2 . . . B 679 ILE HG12 . 18229 1 1828 . 2 2 40 40 ILE HG13 H 1 1.241 0.006 . 2 . . . B 679 ILE HG13 . 18229 1 1829 . 2 2 40 40 ILE HG21 H 1 0.939 0.01 . 1 . . . B 679 ILE HG21 . 18229 1 1830 . 2 2 40 40 ILE HG22 H 1 0.939 0.01 . 1 . . . B 679 ILE HG22 . 18229 1 1831 . 2 2 40 40 ILE HG23 H 1 0.939 0.01 . 1 . . . B 679 ILE HG23 . 18229 1 1832 . 2 2 40 40 ILE HD11 H 1 0.907 0.002 . 1 . . . B 679 ILE HD11 . 18229 1 1833 . 2 2 40 40 ILE HD12 H 1 0.907 0.002 . 1 . . . B 679 ILE HD12 . 18229 1 1834 . 2 2 40 40 ILE HD13 H 1 0.907 0.002 . 1 . . . B 679 ILE HD13 . 18229 1 1835 . 2 2 40 40 ILE C C 13 176.314 . . 1 . . . B 679 ILE C . 18229 1 1836 . 2 2 40 40 ILE CA C 13 61.222 . . 1 . . . B 679 ILE CA . 18229 1 1837 . 2 2 40 40 ILE CB C 13 38.650 0.019 . 1 . . . B 679 ILE CB . 18229 1 1838 . 2 2 40 40 ILE CG1 C 13 27.325 0.015 . 1 . . . B 679 ILE CG1 . 18229 1 1839 . 2 2 40 40 ILE CG2 C 13 17.562 . . 1 . . . B 679 ILE CG2 . 18229 1 1840 . 2 2 40 40 ILE CD1 C 13 12.993 0.057 . 1 . . . B 679 ILE CD1 . 18229 1 1841 . 2 2 40 40 ILE N N 15 121.772 . . 1 . . . B 679 ILE N . 18229 1 1842 . 2 2 41 41 SER H H 1 8.374 . . 1 . . . B 680 SER H . 18229 1 1843 . 2 2 41 41 SER HA H 1 4.523 0.0 . 1 . . . B 680 SER HA . 18229 1 1844 . 2 2 41 41 SER HB2 H 1 3.918 . . 2 . . . B 680 SER HB2 . 18229 1 1845 . 2 2 41 41 SER HB3 H 1 3.918 . . 2 . . . B 680 SER HB3 . 18229 1 1846 . 2 2 41 41 SER C C 13 174.575 . . 1 . . . B 680 SER C . 18229 1 1847 . 2 2 41 41 SER CA C 13 58.201 0.0 . 1 . . . B 680 SER CA . 18229 1 1848 . 2 2 41 41 SER CB C 13 63.773 . . 1 . . . B 680 SER CB . 18229 1 1849 . 2 2 41 41 SER N N 15 120.193 . . 1 . . . B 680 SER N . 18229 1 1850 . 2 2 42 42 LYS H H 1 8.420 . . 1 . . . B 681 LYS H . 18229 1 1851 . 2 2 42 42 LYS HA H 1 4.359 0.0 . 1 . . . B 681 LYS HA . 18229 1 1852 . 2 2 42 42 LYS HB2 H 1 1.812 0.0 . 2 . . . B 681 LYS HB2 . 18229 1 1853 . 2 2 42 42 LYS HB3 H 1 1.896 0.0 . 2 . . . B 681 LYS HB3 . 18229 1 1854 . 2 2 42 42 LYS HG2 H 1 1.480 0.003 . 2 . . . B 681 LYS HG2 . 18229 1 1855 . 2 2 42 42 LYS HG3 H 1 1.479 0.003 . 2 . . . B 681 LYS HG3 . 18229 1 1856 . 2 2 42 42 LYS HD2 H 1 1.728 0.002 . 1 . . . B 681 LYS HD2 . 18229 1 1857 . 2 2 42 42 LYS HD3 H 1 1.728 0.002 . 1 . . . B 681 LYS HD3 . 18229 1 1858 . 2 2 42 42 LYS HE2 H 1 3.038 0.001 . 2 . . . B 681 LYS HE2 . 18229 1 1859 . 2 2 42 42 LYS HE3 H 1 3.038 0.002 . 2 . . . B 681 LYS HE3 . 18229 1 1860 . 2 2 42 42 LYS C C 13 176.743 . . 1 . . . B 681 LYS C . 18229 1 1861 . 2 2 42 42 LYS CA C 13 56.571 0.0 . 1 . . . B 681 LYS CA . 18229 1 1862 . 2 2 42 42 LYS CB C 13 33.037 0.0 . 1 . . . B 681 LYS CB . 18229 1 1863 . 2 2 42 42 LYS CG C 13 24.701 0.0 . 1 . . . B 681 LYS CG . 18229 1 1864 . 2 2 42 42 LYS CD C 13 28.975 0.013 . 1 . . . B 681 LYS CD . 18229 1 1865 . 2 2 42 42 LYS CE C 13 42.143 0.013 . 1 . . . B 681 LYS CE . 18229 1 1866 . 2 2 42 42 LYS N N 15 124.077 . . 1 . . . B 681 LYS N . 18229 1 1867 . 2 2 43 43 GLU H H 1 8.449 . . 1 . . . B 682 GLU H . 18229 1 1868 . 2 2 43 43 GLU HA H 1 4.282 0.002 . 1 . . . B 682 GLU HA . 18229 1 1869 . 2 2 43 43 GLU HB2 H 1 2.119 0.004 . 2 . . . B 682 GLU HB2 . 18229 1 1870 . 2 2 43 43 GLU HB3 H 1 1.998 0.002 . 2 . . . B 682 GLU HB3 . 18229 1 1871 . 2 2 43 43 GLU HG2 H 1 2.338 0.001 . 1 . . . B 682 GLU HG2 . 18229 1 1872 . 2 2 43 43 GLU HG3 H 1 2.338 0.001 . 1 . . . B 682 GLU HG3 . 18229 1 1873 . 2 2 43 43 GLU C C 13 176.442 . . 1 . . . B 682 GLU C . 18229 1 1874 . 2 2 43 43 GLU CA C 13 56.858 0.014 . 1 . . . B 682 GLU CA . 18229 1 1875 . 2 2 43 43 GLU CB C 13 30.059 0.013 . 1 . . . B 682 GLU CB . 18229 1 1876 . 2 2 43 43 GLU CG C 13 36.307 0.0 . 1 . . . B 682 GLU CG . 18229 1 1877 . 2 2 43 43 GLU N N 15 121.869 . . 1 . . . B 682 GLU N . 18229 1 1878 . 2 2 44 44 ALA H H 1 8.244 . . 1 . . . B 683 ALA H . 18229 1 1879 . 2 2 44 44 ALA HA H 1 4.336 . . 1 . . . B 683 ALA HA . 18229 1 1880 . 2 2 44 44 ALA HB1 H 1 1.450 . . 1 . . . B 683 ALA HB1 . 18229 1 1881 . 2 2 44 44 ALA HB2 H 1 1.450 . . 1 . . . B 683 ALA HB2 . 18229 1 1882 . 2 2 44 44 ALA HB3 H 1 1.450 . . 1 . . . B 683 ALA HB3 . 18229 1 1883 . 2 2 44 44 ALA C C 13 177.889 . . 1 . . . B 683 ALA C . 18229 1 1884 . 2 2 44 44 ALA CA C 13 52.680 . . 1 . . . B 683 ALA CA . 18229 1 1885 . 2 2 44 44 ALA CB C 13 19.346 . . 1 . . . B 683 ALA CB . 18229 1 1886 . 2 2 44 44 ALA N N 15 124.346 . . 1 . . . B 683 ALA N . 18229 1 1887 . 2 2 45 45 GLU H H 1 8.313 . . 1 . . . B 684 GLU H . 18229 1 1888 . 2 2 45 45 GLU HA H 1 4.387 . . 1 . . . B 684 GLU HA . 18229 1 1889 . 2 2 45 45 GLU HB2 H 1 2.124 . . 2 . . . B 684 GLU HB2 . 18229 1 1890 . 2 2 45 45 GLU HB3 H 1 2.004 . . 2 . . . B 684 GLU HB3 . 18229 1 1891 . 2 2 45 45 GLU HG2 H 1 2.337 . . 1 . . . B 684 GLU HG2 . 18229 1 1892 . 2 2 45 45 GLU HG3 H 1 2.337 . . 1 . . . B 684 GLU HG3 . 18229 1 1893 . 2 2 45 45 GLU C C 13 176.090 . . 1 . . . B 684 GLU C . 18229 1 1894 . 2 2 45 45 GLU CA C 13 56.509 . . 1 . . . B 684 GLU CA . 18229 1 1895 . 2 2 45 45 GLU CB C 13 30.207 . . 1 . . . B 684 GLU CB . 18229 1 1896 . 2 2 45 45 GLU CG C 13 36.282 . . 1 . . . B 684 GLU CG . 18229 1 1897 . 2 2 45 45 GLU N N 15 120.022 . . 1 . . . B 684 GLU N . 18229 1 1898 . 2 2 46 46 ASP H H 1 8.506 . . 1 . . . B 685 ASP H . 18229 1 1899 . 2 2 46 46 ASP HA H 1 4.651 . . 1 . . . B 685 ASP HA . 18229 1 1900 . 2 2 46 46 ASP HB2 H 1 2.684 . . 2 . . . B 685 ASP HB2 . 18229 1 1901 . 2 2 46 46 ASP HB3 H 1 2.762 . . 2 . . . B 685 ASP HB3 . 18229 1 1902 . 2 2 46 46 ASP C C 13 176.312 . . 1 . . . B 685 ASP C . 18229 1 1903 . 2 2 46 46 ASP CA C 13 54.347 . . 1 . . . B 685 ASP CA . 18229 1 1904 . 2 2 46 46 ASP CB C 13 41.143 . . 1 . . . B 685 ASP CB . 18229 1 1905 . 2 2 46 46 ASP N N 15 121.350 . . 1 . . . B 685 ASP N . 18229 1 1906 . 2 2 47 47 ASN H H 1 8.370 . . 1 . . . B 686 ASN H . 18229 1 1907 . 2 2 47 47 ASN HA H 1 4.662 . . 1 . . . B 686 ASN HA . 18229 1 1908 . 2 2 47 47 ASN HD21 H 1 7.640 . . 1 . . . B 686 ASN HD21 . 18229 1 1909 . 2 2 47 47 ASN HD22 H 1 6.960 . . 1 . . . B 686 ASN HD22 . 18229 1 1910 . 2 2 47 47 ASN CA C 13 53.954 . . 1 . . . B 686 ASN CA . 18229 1 1911 . 2 2 47 47 ASN CB C 13 39.218 . . 1 . . . B 686 ASN CB . 18229 1 1912 . 2 2 47 47 ASN N N 15 119.403 . . 1 . . . B 686 ASN N . 18229 1 1913 . 2 2 47 47 ASN ND2 N 15 112.412 . . 1 . . . B 686 ASN ND2 . 18229 1 1914 . 2 2 48 48 ASP C C 13 176.631 . . 1 . . . B 687 ASP C . 18229 1 1915 . 2 2 48 48 ASP CA C 13 54.842 . . 1 . . . B 687 ASP CA . 18229 1 1916 . 2 2 48 48 ASP CB C 13 41.166 . . 1 . . . B 687 ASP CB . 18229 1 1917 . 2 2 49 49 SER H H 1 8.196 . . 1 . . . B 688 SER H . 18229 1 1918 . 2 2 49 49 SER HA H 1 4.406 . . 1 . . . B 688 SER HA . 18229 1 1919 . 2 2 49 49 SER HB2 H 1 3.938 . . 1 . . . B 688 SER HB2 . 18229 1 1920 . 2 2 49 49 SER HB3 H 1 3.938 . . 1 . . . B 688 SER HB3 . 18229 1 1921 . 2 2 49 49 SER C C 13 175.935 . . 1 . . . B 688 SER C . 18229 1 1922 . 2 2 49 49 SER CA C 13 58.689 . . 1 . . . B 688 SER CA . 18229 1 1923 . 2 2 49 49 SER CB C 13 63.591 . . 1 . . . B 688 SER CB . 18229 1 1924 . 2 2 49 49 SER N N 15 116.057 . . 1 . . . B 688 SER N . 18229 1 1925 . 2 2 50 50 ARG H H 1 8.116 . . 1 . . . B 689 ARG H . 18229 1 1926 . 2 2 50 50 ARG HA H 1 4.317 . . 1 . . . B 689 ARG HA . 18229 1 1927 . 2 2 50 50 ARG HB2 H 1 1.798 . . 1 . . . B 689 ARG HB2 . 18229 1 1928 . 2 2 50 50 ARG HB3 H 1 1.798 . . 1 . . . B 689 ARG HB3 . 18229 1 1929 . 2 2 50 50 ARG HG2 H 1 1.588 . . 1 . . . B 689 ARG HG2 . 18229 1 1930 . 2 2 50 50 ARG HG3 H 1 1.588 . . 1 . . . B 689 ARG HG3 . 18229 1 1931 . 2 2 50 50 ARG HD2 H 1 3.192 . . 1 . . . B 689 ARG HD2 . 18229 1 1932 . 2 2 50 50 ARG HD3 H 1 3.192 . . 1 . . . B 689 ARG HD3 . 18229 1 1933 . 2 2 50 50 ARG C C 13 174.692 . . 1 . . . B 689 ARG C . 18229 1 1934 . 2 2 50 50 ARG CA C 13 56.228 . . 1 . . . B 689 ARG CA . 18229 1 1935 . 2 2 50 50 ARG CB C 13 30.570 . . 1 . . . B 689 ARG CB . 18229 1 1936 . 2 2 50 50 ARG CG C 13 27.055 . . 1 . . . B 689 ARG CG . 18229 1 1937 . 2 2 50 50 ARG CD C 13 43.289 . . 1 . . . B 689 ARG CD . 18229 1 1938 . 2 2 50 50 ARG N N 15 122.433 . . 1 . . . B 689 ARG N . 18229 1 1939 . 2 2 51 51 LYS H H 1 8.124 . . 1 . . . B 690 LYS H . 18229 1 1940 . 2 2 51 51 LYS HA H 1 4.317 . . 1 . . . B 690 LYS HA . 18229 1 1941 . 2 2 51 51 LYS HB2 H 1 1.811 . . 2 . . . B 690 LYS HB2 . 18229 1 1942 . 2 2 51 51 LYS HB3 H 1 1.695 . . 2 . . . B 690 LYS HB3 . 18229 1 1943 . 2 2 51 51 LYS HG2 H 1 1.426 . . 1 . . . B 690 LYS HG2 . 18229 1 1944 . 2 2 51 51 LYS HG3 H 1 1.426 . . 1 . . . B 690 LYS HG3 . 18229 1 1945 . 2 2 51 51 LYS HD2 H 1 1.702 . . 1 . . . B 690 LYS HD2 . 18229 1 1946 . 2 2 51 51 LYS HD3 H 1 1.702 . . 1 . . . B 690 LYS HD3 . 18229 1 1947 . 2 2 51 51 LYS HE2 H 1 3.027 . . 1 . . . B 690 LYS HE2 . 18229 1 1948 . 2 2 51 51 LYS HE3 H 1 3.027 . . 1 . . . B 690 LYS HE3 . 18229 1 1949 . 2 2 51 51 LYS C C 13 176.363 . . 1 . . . B 690 LYS C . 18229 1 1950 . 2 2 51 51 LYS CA C 13 56.203 . . 1 . . . B 690 LYS CA . 18229 1 1951 . 2 2 51 51 LYS CB C 13 33.021 . . 1 . . . B 690 LYS CB . 18229 1 1952 . 2 2 51 51 LYS CG C 13 24.521 . . 1 . . . B 690 LYS CG . 18229 1 1953 . 2 2 51 51 LYS CD C 13 29.046 . . 1 . . . B 690 LYS CD . 18229 1 1954 . 2 2 51 51 LYS CE C 13 42.471 . . 1 . . . B 690 LYS CE . 18229 1 1955 . 2 2 51 51 LYS N N 15 122.478 . . 1 . . . B 690 LYS N . 18229 1 stop_ save_