data_19791 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19791 _Entry.Title ; Structural Characterization of a Complex Between the Acidic Transactivation Domain of EBNA2 and the Tfb1/p62 subunit of TFIIH. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-12 _Entry.Accession_date 2014-02-12 _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 Philippe 'R. Chabot' . . . 19791 2 Luca Raiola . . . 19791 3 Mathieu Lussier-Price . . . 19791 4 Thomas Morse . . . 19791 5 Genevieve Arseneault . . . 19791 6 Jacques Archambault . . . 19791 7 James Omichinski . . . 19791 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' . 19791 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EBNA2 . 19791 Protein . 19791 Tfb1 . 19791 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19791 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 19791 '15N chemical shifts' 121 19791 '1H chemical shifts' 870 19791 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 . . 2014-04-23 2014-02-12 update BMRB 'update entry citation' 19791 1 . . 2014-03-03 2014-02-12 original author 'original release' 19791 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MKR 'BMRB Entry Tracking System' 19791 stop_ save_ ############### # Citations # ############### save_Tfb1-EBNA2 _Citation.Sf_category citations _Citation.Sf_framecode Tfb1-EBNA2 _Citation.Entry_ID 19791 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24675874 _Citation.Full_citation . _Citation.Title 'Structural and functional characterization of a complex between the acidic transactivation domain of EBNA2 and the Tfb1/p62 subunit of TFIIH.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 10 _Citation.Journal_issue 3 _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 e1004042 _Citation.Page_last e1004042 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Philippe Chabot . R. . 19791 1 2 Luca Raiola . . . 19791 1 3 Mathieu Lussier-Price . . . 19791 1 4 Thomas Morse . . . 19791 1 5 Genevieve Arseneault . . . 19791 1 6 Jacques Archambault . . . 19791 1 7 James Omichinski . G. . 19791 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19791 _Assembly.ID 1 _Assembly.Name 'Complex Between the Acidic Transactivation Domain of EBNA2 and the Tfb1/p62 subunit of TFIIH' _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 . . . 19791 1 2 EBNA2 2 $EBNA2 B . yes native no no . . . 19791 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tfb1 _Entity.Sf_category entity _Entity.Sf_framecode Tfb1 _Entity.Entry_ID 19791 _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 KMTLQQIISRYKDAD ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Tfb1PH _Entity.Mutation M1P _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12903.807 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18229 . Tfb1 . . . . . 100.00 119 100.00 100.00 6.74e-78 . . . . 19791 1 2 no BMRB 18842 . Tfb1 . . . . . 100.00 119 100.00 100.00 6.74e-78 . . . . 19791 1 3 no BMRB 25540 . RNA_polymerase_II_transcription_factor_B_subunit_1 . . . . . 100.00 115 100.00 100.00 6.41e-78 . . . . 19791 1 4 no PDB 1Y5O . "Nmr Structure Of The Amino-Terminal Domain From The Tfb1 Subunit Of Yeast Tfiih" . . . . . 99.13 115 100.00 100.00 6.99e-77 . . . . 19791 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" . . . . . 99.13 115 100.00 100.00 6.99e-77 . . . . 19791 1 6 no PDB 2K2U . "Nmr Structure Of The Complex Between Tfb1 Subunit Of Tfiih And The Activation Domain Of Vp16" . . . . . 100.00 115 100.00 100.00 6.41e-78 . . . . 19791 1 7 no PDB 2L2I . "Nmr Structure Of The Complex Between The Tfb1 Subunit Of Tfiih And The Activation Domain Of Eklf" . . . . . 100.00 115 100.00 100.00 6.41e-78 . . . . 19791 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 6.74e-78 . . . . 19791 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 6.74e-78 . . . . 19791 1 10 no PDB 2MKR . "Structural Characterization Of A Complex Between The Acidic Transactivation Domain Of Ebna2 And The Tfb1/p62 Subunit Of Tfiih." . . . . . 100.00 115 100.00 100.00 6.41e-78 . . . . 19791 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 " . . . . . 100.00 115 100.00 100.00 6.41e-78 . . . . 19791 1 12 no DBJ GAA22531 . "K7_Tfb1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 1 13 no EMBL CAY78811 . "Tfb1p [Saccharomyces cerevisiae EC1118]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 1 14 no GB AAA35143 . "RNA polymerase II transcription factor b, 73 kDa subunit [Saccharomyces cerevisiae]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 1 15 no GB AAB64747 . "Tfb1: RNA Polymerase II transcription factor B 73 kD subunit (Swiss Prot. accession number P32776) [Saccharomyces cerevisiae]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 1 16 no GB AAU09707 . "YDR311W [Saccharomyces cerevisiae]" . . . . . 99.13 642 100.00 100.00 1.92e-71 . . . . 19791 1 17 no GB AHY75284 . "Tfb1p [Saccharomyces cerevisiae YJM993]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 1 18 no GB AJP38011 . "Tfb1p [Saccharomyces cerevisiae YJM1078]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 1 19 no REF NP_010597 . "TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 1 20 no SP P32776 . "RecName: Full=RNA polymerase II transcription factor B subunit 1; AltName: Full=General transcription and DNA repair factor IIH" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 1 21 no TPG DAA12150 . "TPA: TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 19791 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 1 PRO . 19791 1 2 2 SER . 19791 1 3 3 HIS . 19791 1 4 4 SER . 19791 1 5 5 GLY . 19791 1 6 6 ALA . 19791 1 7 7 ALA . 19791 1 8 8 ILE . 19791 1 9 9 PHE . 19791 1 10 10 GLU . 19791 1 11 11 LYS . 19791 1 12 12 VAL . 19791 1 13 13 SER . 19791 1 14 14 GLY . 19791 1 15 15 ILE . 19791 1 16 16 ILE . 19791 1 17 17 ALA . 19791 1 18 18 ILE . 19791 1 19 19 ASN . 19791 1 20 20 GLU . 19791 1 21 21 ASP . 19791 1 22 22 VAL . 19791 1 23 23 SER . 19791 1 24 24 PRO . 19791 1 25 25 ALA . 19791 1 26 26 GLU . 19791 1 27 27 LEU . 19791 1 28 28 THR . 19791 1 29 29 TRP . 19791 1 30 30 ARG . 19791 1 31 31 SER . 19791 1 32 32 THR . 19791 1 33 33 ASP . 19791 1 34 34 GLY . 19791 1 35 35 ASP . 19791 1 36 36 LYS . 19791 1 37 37 VAL . 19791 1 38 38 HIS . 19791 1 39 39 THR . 19791 1 40 40 VAL . 19791 1 41 41 VAL . 19791 1 42 42 LEU . 19791 1 43 43 SER . 19791 1 44 44 THR . 19791 1 45 45 ILE . 19791 1 46 46 ASP . 19791 1 47 47 LYS . 19791 1 48 48 LEU . 19791 1 49 49 GLN . 19791 1 50 50 ALA . 19791 1 51 51 THR . 19791 1 52 52 PRO . 19791 1 53 53 ALA . 19791 1 54 54 SER . 19791 1 55 55 SER . 19791 1 56 56 GLU . 19791 1 57 57 LYS . 19791 1 58 58 MET . 19791 1 59 59 MET . 19791 1 60 60 LEU . 19791 1 61 61 ARG . 19791 1 62 62 LEU . 19791 1 63 63 ILE . 19791 1 64 64 GLY . 19791 1 65 65 LYS . 19791 1 66 66 VAL . 19791 1 67 67 ASP . 19791 1 68 68 GLU . 19791 1 69 69 SER . 19791 1 70 70 LYS . 19791 1 71 71 LYS . 19791 1 72 72 ARG . 19791 1 73 73 LYS . 19791 1 74 74 ASP . 19791 1 75 75 ASN . 19791 1 76 76 GLU . 19791 1 77 77 GLY . 19791 1 78 78 ASN . 19791 1 79 79 GLU . 19791 1 80 80 VAL . 19791 1 81 81 VAL . 19791 1 82 82 PRO . 19791 1 83 83 LYS . 19791 1 84 84 PRO . 19791 1 85 85 GLN . 19791 1 86 86 ARG . 19791 1 87 87 HIS . 19791 1 88 88 MET . 19791 1 89 89 PHE . 19791 1 90 90 SER . 19791 1 91 91 PHE . 19791 1 92 92 ASN . 19791 1 93 93 ASN . 19791 1 94 94 ARG . 19791 1 95 95 THR . 19791 1 96 96 VAL . 19791 1 97 97 MET . 19791 1 98 98 ASP . 19791 1 99 99 ASN . 19791 1 100 100 ILE . 19791 1 101 101 LYS . 19791 1 102 102 MET . 19791 1 103 103 THR . 19791 1 104 104 LEU . 19791 1 105 105 GLN . 19791 1 106 106 GLN . 19791 1 107 107 ILE . 19791 1 108 108 ILE . 19791 1 109 109 SER . 19791 1 110 110 ARG . 19791 1 111 111 TYR . 19791 1 112 112 LYS . 19791 1 113 113 ASP . 19791 1 114 114 ALA . 19791 1 115 115 ASP . 19791 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 19791 1 . SER 2 2 19791 1 . HIS 3 3 19791 1 . SER 4 4 19791 1 . GLY 5 5 19791 1 . ALA 6 6 19791 1 . ALA 7 7 19791 1 . ILE 8 8 19791 1 . PHE 9 9 19791 1 . GLU 10 10 19791 1 . LYS 11 11 19791 1 . VAL 12 12 19791 1 . SER 13 13 19791 1 . GLY 14 14 19791 1 . ILE 15 15 19791 1 . ILE 16 16 19791 1 . ALA 17 17 19791 1 . ILE 18 18 19791 1 . ASN 19 19 19791 1 . GLU 20 20 19791 1 . ASP 21 21 19791 1 . VAL 22 22 19791 1 . SER 23 23 19791 1 . PRO 24 24 19791 1 . ALA 25 25 19791 1 . GLU 26 26 19791 1 . LEU 27 27 19791 1 . THR 28 28 19791 1 . TRP 29 29 19791 1 . ARG 30 30 19791 1 . SER 31 31 19791 1 . THR 32 32 19791 1 . ASP 33 33 19791 1 . GLY 34 34 19791 1 . ASP 35 35 19791 1 . LYS 36 36 19791 1 . VAL 37 37 19791 1 . HIS 38 38 19791 1 . THR 39 39 19791 1 . VAL 40 40 19791 1 . VAL 41 41 19791 1 . LEU 42 42 19791 1 . SER 43 43 19791 1 . THR 44 44 19791 1 . ILE 45 45 19791 1 . ASP 46 46 19791 1 . LYS 47 47 19791 1 . LEU 48 48 19791 1 . GLN 49 49 19791 1 . ALA 50 50 19791 1 . THR 51 51 19791 1 . PRO 52 52 19791 1 . ALA 53 53 19791 1 . SER 54 54 19791 1 . SER 55 55 19791 1 . GLU 56 56 19791 1 . LYS 57 57 19791 1 . MET 58 58 19791 1 . MET 59 59 19791 1 . LEU 60 60 19791 1 . ARG 61 61 19791 1 . LEU 62 62 19791 1 . ILE 63 63 19791 1 . GLY 64 64 19791 1 . LYS 65 65 19791 1 . VAL 66 66 19791 1 . ASP 67 67 19791 1 . GLU 68 68 19791 1 . SER 69 69 19791 1 . LYS 70 70 19791 1 . LYS 71 71 19791 1 . ARG 72 72 19791 1 . LYS 73 73 19791 1 . ASP 74 74 19791 1 . ASN 75 75 19791 1 . GLU 76 76 19791 1 . GLY 77 77 19791 1 . ASN 78 78 19791 1 . GLU 79 79 19791 1 . VAL 80 80 19791 1 . VAL 81 81 19791 1 . PRO 82 82 19791 1 . LYS 83 83 19791 1 . PRO 84 84 19791 1 . GLN 85 85 19791 1 . ARG 86 86 19791 1 . HIS 87 87 19791 1 . MET 88 88 19791 1 . PHE 89 89 19791 1 . SER 90 90 19791 1 . PHE 91 91 19791 1 . ASN 92 92 19791 1 . ASN 93 93 19791 1 . ARG 94 94 19791 1 . THR 95 95 19791 1 . VAL 96 96 19791 1 . MET 97 97 19791 1 . ASP 98 98 19791 1 . ASN 99 99 19791 1 . ILE 100 100 19791 1 . LYS 101 101 19791 1 . MET 102 102 19791 1 . THR 103 103 19791 1 . LEU 104 104 19791 1 . GLN 105 105 19791 1 . GLN 106 106 19791 1 . ILE 107 107 19791 1 . ILE 108 108 19791 1 . SER 109 109 19791 1 . ARG 110 110 19791 1 . TYR 111 111 19791 1 . LYS 112 112 19791 1 . ASP 113 113 19791 1 . ALA 114 114 19791 1 . ASP 115 115 19791 1 stop_ save_ save_EBNA2 _Entity.Sf_category entity _Entity.Sf_framecode EBNA2 _Entity.Entry_ID 19791 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name EBNA2 _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 DLDESWDYIFETT _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1633.681 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 453 ASP . 19791 2 2 454 LEU . 19791 2 3 455 ASP . 19791 2 4 456 GLU . 19791 2 5 457 SER . 19791 2 6 458 TRP . 19791 2 7 459 ASP . 19791 2 8 460 TYR . 19791 2 9 461 ILE . 19791 2 10 462 PHE . 19791 2 11 463 GLU . 19791 2 12 464 THR . 19791 2 13 465 THR . 19791 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 . ASP 1 1 19791 2 . LEU 2 2 19791 2 . ASP 3 3 19791 2 . GLU 4 4 19791 2 . SER 5 5 19791 2 . TRP 6 6 19791 2 . ASP 7 7 19791 2 . TYR 8 8 19791 2 . ILE 9 9 19791 2 . PHE 10 10 19791 2 . GLU 11 11 19791 2 . THR 12 12 19791 2 . THR 13 13 19791 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 19791 _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 . . . . 19791 1 2 2 $EBNA2 . . virus . 'Epstein-Barr virus' 'human herpesvirus 4' . . . . Epstein-Barr virus B95-8 . . . . . . . . . . . . . . . EBNA2 . . . . 19791 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 19791 _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-2T . . . . . . 19791 1 2 2 $EBNA2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli TOPP2 . . . . . . . . . . . . . . . PGEX-2T . . . . . . 19791 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19791 _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-13C; U-15N]' . . 1 $Tfb1 . . 0.7 . . mM . . . . 19791 1 2 EBNA2 'natural abundance' . . 2 $EBNA2 . . 2.1 . . mM . . . . 19791 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19791 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19791 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19791 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19791 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19791 _Sample.ID 2 _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-15N] . . 1 $Tfb1 . . 0.7 . . mM . . . . 19791 2 2 EBNA2 'natural abundance' . . 2 $EBNA2 . . 2.1 . . mM . . . . 19791 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19791 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19791 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19791 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19791 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19791 _Sample.ID 3 _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-13C; U-15N]' . . 1 $Tfb1 . . 0.7 . . mM . . . . 19791 3 2 EBNA2 'natural abundance' . . 2 $EBNA2 . . 2.1 . . mM . . . . 19791 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19791 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19791 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19791 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19791 _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 EBNA2 '[U-13C; U-15N]' . . 2 $EBNA2 . . 0.5 . . mM . . . . 19791 4 2 Tfb1 'natural abundance' . . 1 $Tfb1 . . 1.5 . . mM . . . . 19791 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19791 4 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19791 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19791 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19791 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19791 _Sample.ID 5 _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 EBNA2 '[U-100% 15N]' . . 2 $EBNA2 . . 0.5 . . mM . . . . 19791 5 2 Tfb1 'natural abundance' . . 1 $Tfb1 . . 1.5 . . mM . . . . 19791 5 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19791 5 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19791 5 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19791 5 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19791 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19791 _Sample.ID 6 _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 EBNA2 '[U-13C; U-15N]' . . 2 $EBNA2 . . 0.5 . . mM . . . . 19791 6 2 Tfb1 'natural abundance' . . 1 $Tfb1 . . 1.5 . . mM . . . . 19791 6 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19791 6 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19791 6 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19791 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 19791 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 19791 1 pH 6.5 . pH 19791 1 pressure 1 . atm 19791 1 temperature 300 . K 19791 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19791 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19791 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19791 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 19791 _Software.ID 2 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19791 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19791 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19791 _Software.ID 3 _Software.Name TALOS _Software.Version TALOS-N _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19791 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19791 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 19791 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19791 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19791 4 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 19791 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19791 _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 19791 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19791 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 19791 1 2 spectrometer_2 Varian INOVA . 600 . . . 19791 1 3 spectrometer_3 Varian INOVA . 800 . . . 19791 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 19791 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 11 '3D 1H-13C-12C intermolecular NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 12 '3D 1H-13C-12C intermolecular NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 13 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 14 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 15 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 16 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 19 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 20 '3D H(CCO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 21 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 1 22 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19791 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 19791 _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 . . . . . . . . . 19791 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19791 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19791 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 19791 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19791 1 3 '2D 1H-13C HSQC' . . . 19791 1 13 '3D HNCO' . . . 19791 1 15 '3D HNCACB' . . . 19791 1 17 '3D HCCH-TOCSY' . . . 19791 1 19 '3D H(CCO)NH' . . . 19791 1 21 '3D HCCH-COSY' . . . 19791 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 3 3 HIS HA H 1 4.671 0.012 . 1 . . . A 3 HIS HA . 19791 1 2 . 1 1 3 3 HIS HB2 H 1 3.005 0.016 . 2 . . . A 3 HIS HB2 . 19791 1 3 . 1 1 3 3 HIS HB3 H 1 3.589 0.008 . 2 . . . A 3 HIS HB3 . 19791 1 4 . 1 1 3 3 HIS HD2 H 1 7.078 0.001 . 1 . . . A 3 HIS HD2 . 19791 1 5 . 1 1 3 3 HIS CA C 13 56.018 0.029 . 1 . . . A 3 HIS CA . 19791 1 6 . 1 1 3 3 HIS CB C 13 31.012 0.007 . 1 . . . A 3 HIS CB . 19791 1 7 . 1 1 3 3 HIS CD2 C 13 118.000 0.000 . 1 . . . A 3 HIS CD2 . 19791 1 8 . 1 1 4 4 SER H H 1 7.846 0.006 . 1 . . . A 4 SER H . 19791 1 9 . 1 1 4 4 SER HA H 1 5.476 0.011 . 1 . . . A 4 SER HA . 19791 1 10 . 1 1 4 4 SER HB2 H 1 3.868 0.005 . 2 . . . A 4 SER HB2 . 19791 1 11 . 1 1 4 4 SER HB3 H 1 3.868 0.005 . 2 . . . A 4 SER HB3 . 19791 1 12 . 1 1 4 4 SER CA C 13 56.911 0.087 . 1 . . . A 4 SER CA . 19791 1 13 . 1 1 4 4 SER CB C 13 66.007 0.015 . 1 . . . A 4 SER CB . 19791 1 14 . 1 1 4 4 SER N N 15 113.582 0.068 . 1 . . . A 4 SER N . 19791 1 15 . 1 1 5 5 GLY H H 1 8.370 0.008 . 1 . . . A 5 GLY H . 19791 1 16 . 1 1 5 5 GLY HA2 H 1 4.066 0.003 . 2 . . . A 5 GLY HA2 . 19791 1 17 . 1 1 5 5 GLY HA3 H 1 4.237 0.013 . 2 . . . A 5 GLY HA3 . 19791 1 18 . 1 1 5 5 GLY CA C 13 45.598 0.048 . 1 . . . A 5 GLY CA . 19791 1 19 . 1 1 5 5 GLY N N 15 106.287 0.012 . 1 . . . A 5 GLY N . 19791 1 20 . 1 1 6 6 ALA H H 1 8.641 0.003 . 1 . . . A 6 ALA H . 19791 1 21 . 1 1 6 6 ALA HA H 1 4.944 0.007 . 1 . . . A 6 ALA HA . 19791 1 22 . 1 1 6 6 ALA HB1 H 1 1.535 0.004 . 1 . . . A 6 ALA HB1 . 19791 1 23 . 1 1 6 6 ALA HB2 H 1 1.535 0.004 . 1 . . . A 6 ALA HB2 . 19791 1 24 . 1 1 6 6 ALA HB3 H 1 1.535 0.004 . 1 . . . A 6 ALA HB3 . 19791 1 25 . 1 1 6 6 ALA CA C 13 52.724 0.148 . 1 . . . A 6 ALA CA . 19791 1 26 . 1 1 6 6 ALA CB C 13 19.191 0.006 . 1 . . . A 6 ALA CB . 19791 1 27 . 1 1 6 6 ALA N N 15 125.234 0.060 . 1 . . . A 6 ALA N . 19791 1 28 . 1 1 7 7 ALA H H 1 8.383 0.006 . 1 . . . A 7 ALA H . 19791 1 29 . 1 1 7 7 ALA HA H 1 4.646 0.009 . 1 . . . A 7 ALA HA . 19791 1 30 . 1 1 7 7 ALA HB1 H 1 0.981 0.008 . 1 . . . A 7 ALA HB1 . 19791 1 31 . 1 1 7 7 ALA HB2 H 1 0.981 0.008 . 1 . . . A 7 ALA HB2 . 19791 1 32 . 1 1 7 7 ALA HB3 H 1 0.981 0.008 . 1 . . . A 7 ALA HB3 . 19791 1 33 . 1 1 7 7 ALA CA C 13 51.586 0.001 . 1 . . . A 7 ALA CA . 19791 1 34 . 1 1 7 7 ALA CB C 13 23.812 0.063 . 1 . . . A 7 ALA CB . 19791 1 35 . 1 1 7 7 ALA N N 15 120.006 0.068 . 1 . . . A 7 ALA N . 19791 1 36 . 1 1 8 8 ILE H H 1 9.350 0.005 . 1 . . . A 8 ILE H . 19791 1 37 . 1 1 8 8 ILE HA H 1 4.983 0.010 . 1 . . . A 8 ILE HA . 19791 1 38 . 1 1 8 8 ILE HB H 1 1.560 0.008 . 1 . . . A 8 ILE HB . 19791 1 39 . 1 1 8 8 ILE HG12 H 1 0.968 0.002 . 2 . . . A 8 ILE HG12 . 19791 1 40 . 1 1 8 8 ILE HG13 H 1 1.484 0.005 . 2 . . . A 8 ILE HG13 . 19791 1 41 . 1 1 8 8 ILE HG21 H 1 0.597 0.007 . 1 . . . A 8 ILE HG21 . 19791 1 42 . 1 1 8 8 ILE HG22 H 1 0.597 0.007 . 1 . . . A 8 ILE HG22 . 19791 1 43 . 1 1 8 8 ILE HG23 H 1 0.597 0.007 . 1 . . . A 8 ILE HG23 . 19791 1 44 . 1 1 8 8 ILE HD11 H 1 0.765 0.003 . 1 . . . A 8 ILE HD11 . 19791 1 45 . 1 1 8 8 ILE HD12 H 1 0.765 0.003 . 1 . . . A 8 ILE HD12 . 19791 1 46 . 1 1 8 8 ILE HD13 H 1 0.765 0.003 . 1 . . . A 8 ILE HD13 . 19791 1 47 . 1 1 8 8 ILE CA C 13 60.045 0.075 . 1 . . . A 8 ILE CA . 19791 1 48 . 1 1 8 8 ILE CB C 13 39.721 0.041 . 1 . . . A 8 ILE CB . 19791 1 49 . 1 1 8 8 ILE CG1 C 13 28.983 0.003 . 1 . . . A 8 ILE CG1 . 19791 1 50 . 1 1 8 8 ILE CG2 C 13 17.522 0.078 . 1 . . . A 8 ILE CG2 . 19791 1 51 . 1 1 8 8 ILE CD1 C 13 13.795 0.029 . 1 . . . A 8 ILE CD1 . 19791 1 52 . 1 1 8 8 ILE N N 15 125.510 0.069 . 1 . . . A 8 ILE N . 19791 1 53 . 1 1 9 9 PHE H H 1 8.451 0.007 . 1 . . . A 9 PHE H . 19791 1 54 . 1 1 9 9 PHE HA H 1 4.285 0.012 . 1 . . . A 9 PHE HA . 19791 1 55 . 1 1 9 9 PHE HB2 H 1 1.143 0.006 . 2 . . . A 9 PHE HB2 . 19791 1 56 . 1 1 9 9 PHE HB3 H 1 0.289 0.009 . 2 . . . A 9 PHE HB3 . 19791 1 57 . 1 1 9 9 PHE HD1 H 1 6.155 0.010 . 3 . . . A 9 PHE HD1 . 19791 1 58 . 1 1 9 9 PHE HD2 H 1 6.155 0.010 . 3 . . . A 9 PHE HD2 . 19791 1 59 . 1 1 9 9 PHE CA C 13 56.230 0.106 . 1 . . . A 9 PHE CA . 19791 1 60 . 1 1 9 9 PHE CB C 13 39.649 0.088 . 1 . . . A 9 PHE CB . 19791 1 61 . 1 1 9 9 PHE CD1 C 13 131.802 0.000 . 3 . . . A 9 PHE CD1 . 19791 1 62 . 1 1 9 9 PHE CD2 C 13 131.802 0.000 . 3 . . . A 9 PHE CD2 . 19791 1 63 . 1 1 9 9 PHE N N 15 129.603 0.145 . 1 . . . A 9 PHE N . 19791 1 64 . 1 1 10 10 GLU H H 1 8.689 0.001 . 1 . . . A 10 GLU H . 19791 1 65 . 1 1 10 10 GLU HA H 1 3.170 0.005 . 1 . . . A 10 GLU HA . 19791 1 66 . 1 1 10 10 GLU HB2 H 1 1.228 0.010 . 2 . . . A 10 GLU HB2 . 19791 1 67 . 1 1 10 10 GLU HB3 H 1 1.572 0.004 . 2 . . . A 10 GLU HB3 . 19791 1 68 . 1 1 10 10 GLU HG2 H 1 0.628 0.004 . 2 . . . A 10 GLU HG2 . 19791 1 69 . 1 1 10 10 GLU HG3 H 1 0.994 0.008 . 2 . . . A 10 GLU HG3 . 19791 1 70 . 1 1 10 10 GLU CA C 13 56.764 0.050 . 1 . . . A 10 GLU CA . 19791 1 71 . 1 1 10 10 GLU CB C 13 26.641 0.060 . 1 . . . A 10 GLU CB . 19791 1 72 . 1 1 10 10 GLU CG C 13 35.403 0.011 . 1 . . . A 10 GLU CG . 19791 1 73 . 1 1 10 10 GLU N N 15 126.293 0.055 . 1 . . . A 10 GLU N . 19791 1 74 . 1 1 11 11 LYS H H 1 7.878 0.002 . 1 . . . A 11 LYS H . 19791 1 75 . 1 1 11 11 LYS HA H 1 3.397 0.005 . 1 . . . A 11 LYS HA . 19791 1 76 . 1 1 11 11 LYS HB2 H 1 2.179 0.007 . 2 . . . A 11 LYS HB2 . 19791 1 77 . 1 1 11 11 LYS HB3 H 1 1.954 0.003 . 2 . . . A 11 LYS HB3 . 19791 1 78 . 1 1 11 11 LYS HG2 H 1 1.193 0.006 . 1 . . . A 11 LYS HG2 . 19791 1 79 . 1 1 11 11 LYS HG3 H 1 1.193 0.006 . 1 . . . A 11 LYS HG3 . 19791 1 80 . 1 1 11 11 LYS HD2 H 1 1.562 0.005 . 1 . . . A 11 LYS HD2 . 19791 1 81 . 1 1 11 11 LYS HD3 H 1 1.562 0.005 . 1 . . . A 11 LYS HD3 . 19791 1 82 . 1 1 11 11 LYS HE2 H 1 2.900 0.000 . 1 . . . A 11 LYS HE2 . 19791 1 83 . 1 1 11 11 LYS HE3 H 1 2.900 0.000 . 1 . . . A 11 LYS HE3 . 19791 1 84 . 1 1 11 11 LYS CA C 13 58.589 0.077 . 1 . . . A 11 LYS CA . 19791 1 85 . 1 1 11 11 LYS CB C 13 30.213 0.038 . 1 . . . A 11 LYS CB . 19791 1 86 . 1 1 11 11 LYS CG C 13 25.523 0.017 . 1 . . . A 11 LYS CG . 19791 1 87 . 1 1 11 11 LYS CD C 13 29.003 0.035 . 1 . . . A 11 LYS CD . 19791 1 88 . 1 1 11 11 LYS CE C 13 42.092 0.018 . 1 . . . A 11 LYS CE . 19791 1 89 . 1 1 11 11 LYS N N 15 105.640 0.002 . 1 . . . A 11 LYS N . 19791 1 90 . 1 1 12 12 VAL H H 1 7.923 0.007 . 1 . . . A 12 VAL H . 19791 1 91 . 1 1 12 12 VAL HA H 1 4.410 0.006 . 1 . . . A 12 VAL HA . 19791 1 92 . 1 1 12 12 VAL HB H 1 2.527 0.008 . 1 . . . A 12 VAL HB . 19791 1 93 . 1 1 12 12 VAL HG11 H 1 1.128 0.006 . 2 . . . A 12 VAL HG11 . 19791 1 94 . 1 1 12 12 VAL HG12 H 1 1.128 0.006 . 2 . . . A 12 VAL HG12 . 19791 1 95 . 1 1 12 12 VAL HG13 H 1 1.128 0.006 . 2 . . . A 12 VAL HG13 . 19791 1 96 . 1 1 12 12 VAL HG21 H 1 1.477 0.006 . 2 . . . A 12 VAL HG21 . 19791 1 97 . 1 1 12 12 VAL HG22 H 1 1.477 0.006 . 2 . . . A 12 VAL HG22 . 19791 1 98 . 1 1 12 12 VAL HG23 H 1 1.477 0.006 . 2 . . . A 12 VAL HG23 . 19791 1 99 . 1 1 12 12 VAL CA C 13 61.803 0.051 . 1 . . . A 12 VAL CA . 19791 1 100 . 1 1 12 12 VAL CB C 13 34.310 0.059 . 1 . . . A 12 VAL CB . 19791 1 101 . 1 1 12 12 VAL CG1 C 13 22.361 0.112 . 2 . . . A 12 VAL CG1 . 19791 1 102 . 1 1 12 12 VAL CG2 C 13 22.463 0.055 . 2 . . . A 12 VAL CG2 . 19791 1 103 . 1 1 12 12 VAL N N 15 123.788 0.064 . 1 . . . A 12 VAL N . 19791 1 104 . 1 1 13 13 SER H H 1 8.880 0.004 . 1 . . . A 13 SER H . 19791 1 105 . 1 1 13 13 SER HA H 1 4.618 0.007 . 1 . . . A 13 SER HA . 19791 1 106 . 1 1 13 13 SER HB2 H 1 4.018 0.019 . 2 . . . A 13 SER HB2 . 19791 1 107 . 1 1 13 13 SER HB3 H 1 4.001 0.019 . 2 . . . A 13 SER HB3 . 19791 1 108 . 1 1 13 13 SER CA C 13 59.724 0.054 . 1 . . . A 13 SER CA . 19791 1 109 . 1 1 13 13 SER CB C 13 63.709 0.094 . 1 . . . A 13 SER CB . 19791 1 110 . 1 1 13 13 SER N N 15 121.865 0.004 . 1 . . . A 13 SER N . 19791 1 111 . 1 1 14 14 GLY H H 1 8.283 0.006 . 1 . . . A 14 GLY H . 19791 1 112 . 1 1 14 14 GLY HA2 H 1 4.120 0.007 . 2 . . . A 14 GLY HA2 . 19791 1 113 . 1 1 14 14 GLY HA3 H 1 4.343 0.012 . 2 . . . A 14 GLY HA3 . 19791 1 114 . 1 1 14 14 GLY CA C 13 46.397 0.087 . 1 . . . A 14 GLY CA . 19791 1 115 . 1 1 14 14 GLY N N 15 113.235 0.027 . 1 . . . A 14 GLY N . 19791 1 116 . 1 1 15 15 ILE H H 1 8.305 0.005 . 1 . . . A 15 ILE H . 19791 1 117 . 1 1 15 15 ILE HA H 1 4.807 0.010 . 1 . . . A 15 ILE HA . 19791 1 118 . 1 1 15 15 ILE HB H 1 1.619 0.006 . 1 . . . A 15 ILE HB . 19791 1 119 . 1 1 15 15 ILE HG12 H 1 1.361 0.003 . 2 . . . A 15 ILE HG12 . 19791 1 120 . 1 1 15 15 ILE HG13 H 1 1.082 0.005 . 2 . . . A 15 ILE HG13 . 19791 1 121 . 1 1 15 15 ILE HG21 H 1 0.767 0.008 . 1 . . . A 15 ILE HG21 . 19791 1 122 . 1 1 15 15 ILE HG22 H 1 0.767 0.008 . 1 . . . A 15 ILE HG22 . 19791 1 123 . 1 1 15 15 ILE HG23 H 1 0.767 0.008 . 1 . . . A 15 ILE HG23 . 19791 1 124 . 1 1 15 15 ILE HD11 H 1 0.767 0.008 . 1 . . . A 15 ILE HD11 . 19791 1 125 . 1 1 15 15 ILE HD12 H 1 0.767 0.008 . 1 . . . A 15 ILE HD12 . 19791 1 126 . 1 1 15 15 ILE HD13 H 1 0.767 0.008 . 1 . . . A 15 ILE HD13 . 19791 1 127 . 1 1 15 15 ILE CA C 13 59.373 0.039 . 1 . . . A 15 ILE CA . 19791 1 128 . 1 1 15 15 ILE CB C 13 41.731 0.090 . 1 . . . A 15 ILE CB . 19791 1 129 . 1 1 15 15 ILE CG1 C 13 27.368 0.066 . 1 . . . A 15 ILE CG1 . 19791 1 130 . 1 1 15 15 ILE CG2 C 13 17.584 0.080 . 1 . . . A 15 ILE CG2 . 19791 1 131 . 1 1 15 15 ILE CD1 C 13 12.152 0.061 . 1 . . . A 15 ILE CD1 . 19791 1 132 . 1 1 15 15 ILE N N 15 123.254 0.060 . 1 . . . A 15 ILE N . 19791 1 133 . 1 1 16 16 ILE H H 1 9.425 0.003 . 1 . . . A 16 ILE H . 19791 1 134 . 1 1 16 16 ILE HA H 1 4.966 0.012 . 1 . . . A 16 ILE HA . 19791 1 135 . 1 1 16 16 ILE HB H 1 1.603 0.001 . 1 . . . A 16 ILE HB . 19791 1 136 . 1 1 16 16 ILE HG12 H 1 1.529 0.003 . 2 . . . A 16 ILE HG12 . 19791 1 137 . 1 1 16 16 ILE HG13 H 1 0.765 0.004 . 2 . . . A 16 ILE HG13 . 19791 1 138 . 1 1 16 16 ILE HG21 H 1 0.765 0.005 . 1 . . . A 16 ILE HG21 . 19791 1 139 . 1 1 16 16 ILE HG22 H 1 0.765 0.005 . 1 . . . A 16 ILE HG22 . 19791 1 140 . 1 1 16 16 ILE HG23 H 1 0.765 0.005 . 1 . . . A 16 ILE HG23 . 19791 1 141 . 1 1 16 16 ILE HD11 H 1 0.129 0.006 . 1 . . . A 16 ILE HD11 . 19791 1 142 . 1 1 16 16 ILE HD12 H 1 0.129 0.006 . 1 . . . A 16 ILE HD12 . 19791 1 143 . 1 1 16 16 ILE HD13 H 1 0.129 0.006 . 1 . . . A 16 ILE HD13 . 19791 1 144 . 1 1 16 16 ILE CA C 13 59.827 0.063 . 1 . . . A 16 ILE CA . 19791 1 145 . 1 1 16 16 ILE CB C 13 41.896 0.039 . 1 . . . A 16 ILE CB . 19791 1 146 . 1 1 16 16 ILE CG1 C 13 29.723 0.034 . 1 . . . A 16 ILE CG1 . 19791 1 147 . 1 1 16 16 ILE CG2 C 13 16.351 0.000 . 1 . . . A 16 ILE CG2 . 19791 1 148 . 1 1 16 16 ILE CD1 C 13 13.920 0.007 . 1 . . . A 16 ILE CD1 . 19791 1 149 . 1 1 16 16 ILE N N 15 128.582 0.132 . 1 . . . A 16 ILE N . 19791 1 150 . 1 1 17 17 ALA H H 1 8.969 0.009 . 1 . . . A 17 ALA H . 19791 1 151 . 1 1 17 17 ALA HA H 1 5.092 0.009 . 1 . . . A 17 ALA HA . 19791 1 152 . 1 1 17 17 ALA HB1 H 1 1.347 0.007 . 1 . . . A 17 ALA HB1 . 19791 1 153 . 1 1 17 17 ALA HB2 H 1 1.347 0.007 . 1 . . . A 17 ALA HB2 . 19791 1 154 . 1 1 17 17 ALA HB3 H 1 1.347 0.007 . 1 . . . A 17 ALA HB3 . 19791 1 155 . 1 1 17 17 ALA CA C 13 51.225 0.180 . 1 . . . A 17 ALA CA . 19791 1 156 . 1 1 17 17 ALA CB C 13 22.309 0.109 . 1 . . . A 17 ALA CB . 19791 1 157 . 1 1 17 17 ALA N N 15 128.450 0.079 . 1 . . . A 17 ALA N . 19791 1 158 . 1 1 18 18 ILE H H 1 8.663 0.008 . 1 . . . A 18 ILE H . 19791 1 159 . 1 1 18 18 ILE HA H 1 4.573 0.012 . 1 . . . A 18 ILE HA . 19791 1 160 . 1 1 18 18 ILE HB H 1 1.828 0.011 . 1 . . . A 18 ILE HB . 19791 1 161 . 1 1 18 18 ILE HG12 H 1 1.530 0.006 . 1 . . . A 18 ILE HG12 . 19791 1 162 . 1 1 18 18 ILE HG13 H 1 1.530 0.006 . 1 . . . A 18 ILE HG13 . 19791 1 163 . 1 1 18 18 ILE HG21 H 1 0.689 0.007 . 1 . . . A 18 ILE HG21 . 19791 1 164 . 1 1 18 18 ILE HG22 H 1 0.689 0.007 . 1 . . . A 18 ILE HG22 . 19791 1 165 . 1 1 18 18 ILE HG23 H 1 0.689 0.007 . 1 . . . A 18 ILE HG23 . 19791 1 166 . 1 1 18 18 ILE HD11 H 1 0.781 0.005 . 1 . . . A 18 ILE HD11 . 19791 1 167 . 1 1 18 18 ILE HD12 H 1 0.781 0.005 . 1 . . . A 18 ILE HD12 . 19791 1 168 . 1 1 18 18 ILE HD13 H 1 0.781 0.005 . 1 . . . A 18 ILE HD13 . 19791 1 169 . 1 1 18 18 ILE CA C 13 60.692 0.119 . 1 . . . A 18 ILE CA . 19791 1 170 . 1 1 18 18 ILE CB C 13 39.160 0.066 . 1 . . . A 18 ILE CB . 19791 1 171 . 1 1 18 18 ILE CG1 C 13 28.703 0.014 . 1 . . . A 18 ILE CG1 . 19791 1 172 . 1 1 18 18 ILE CG2 C 13 18.278 0.077 . 1 . . . A 18 ILE CG2 . 19791 1 173 . 1 1 18 18 ILE CD1 C 13 14.909 0.015 . 1 . . . A 18 ILE CD1 . 19791 1 174 . 1 1 18 18 ILE N N 15 122.347 0.060 . 1 . . . A 18 ILE N . 19791 1 175 . 1 1 19 19 ASN H H 1 9.375 0.009 . 1 . . . A 19 ASN H . 19791 1 176 . 1 1 19 19 ASN HA H 1 5.065 0.014 . 1 . . . A 19 ASN HA . 19791 1 177 . 1 1 19 19 ASN HB2 H 1 3.108 0.011 . 2 . . . A 19 ASN HB2 . 19791 1 178 . 1 1 19 19 ASN HB3 H 1 2.741 0.015 . 2 . . . A 19 ASN HB3 . 19791 1 179 . 1 1 19 19 ASN CA C 13 51.685 0.193 . 1 . . . A 19 ASN CA . 19791 1 180 . 1 1 19 19 ASN CB C 13 39.666 0.061 . 1 . . . A 19 ASN CB . 19791 1 181 . 1 1 19 19 ASN N N 15 128.337 0.132 . 1 . . . A 19 ASN N . 19791 1 182 . 1 1 20 20 GLU H H 1 9.037 0.004 . 1 . . . A 20 GLU H . 19791 1 183 . 1 1 20 20 GLU HA H 1 4.692 0.008 . 1 . . . A 20 GLU HA . 19791 1 184 . 1 1 20 20 GLU HB2 H 1 2.403 0.002 . 2 . . . A 20 GLU HB2 . 19791 1 185 . 1 1 20 20 GLU HB3 H 1 2.000 0.017 . 2 . . . A 20 GLU HB3 . 19791 1 186 . 1 1 20 20 GLU HG2 H 1 2.053 0.003 . 2 . . . A 20 GLU HG2 . 19791 1 187 . 1 1 20 20 GLU HG3 H 1 2.190 0.010 . 2 . . . A 20 GLU HG3 . 19791 1 188 . 1 1 20 20 GLU CA C 13 55.920 0.079 . 1 . . . A 20 GLU CA . 19791 1 189 . 1 1 20 20 GLU CB C 13 30.883 0.107 . 1 . . . A 20 GLU CB . 19791 1 190 . 1 1 20 20 GLU CG C 13 39.186 0.044 . 1 . . . A 20 GLU CG . 19791 1 191 . 1 1 20 20 GLU N N 15 121.680 0.124 . 1 . . . A 20 GLU N . 19791 1 192 . 1 1 21 21 ASP H H 1 8.715 0.005 . 1 . . . A 21 ASP H . 19791 1 193 . 1 1 21 21 ASP HA H 1 4.608 0.007 . 1 . . . A 21 ASP HA . 19791 1 194 . 1 1 21 21 ASP HB2 H 1 2.795 0.009 . 2 . . . A 21 ASP HB2 . 19791 1 195 . 1 1 21 21 ASP HB3 H 1 2.880 0.011 . 2 . . . A 21 ASP HB3 . 19791 1 196 . 1 1 21 21 ASP CA C 13 55.496 0.064 . 1 . . . A 21 ASP CA . 19791 1 197 . 1 1 21 21 ASP CB C 13 40.690 0.088 . 1 . . . A 21 ASP CB . 19791 1 198 . 1 1 21 21 ASP N N 15 121.002 0.004 . 1 . . . A 21 ASP N . 19791 1 199 . 1 1 22 22 VAL H H 1 6.833 0.007 . 1 . . . A 22 VAL H . 19791 1 200 . 1 1 22 22 VAL HA H 1 4.311 0.007 . 1 . . . A 22 VAL HA . 19791 1 201 . 1 1 22 22 VAL HB H 1 1.999 0.005 . 1 . . . A 22 VAL HB . 19791 1 202 . 1 1 22 22 VAL HG11 H 1 0.770 0.005 . 2 . . . A 22 VAL HG11 . 19791 1 203 . 1 1 22 22 VAL HG12 H 1 0.770 0.005 . 2 . . . A 22 VAL HG12 . 19791 1 204 . 1 1 22 22 VAL HG13 H 1 0.770 0.005 . 2 . . . A 22 VAL HG13 . 19791 1 205 . 1 1 22 22 VAL HG21 H 1 0.819 0.007 . 2 . . . A 22 VAL HG21 . 19791 1 206 . 1 1 22 22 VAL HG22 H 1 0.819 0.007 . 2 . . . A 22 VAL HG22 . 19791 1 207 . 1 1 22 22 VAL HG23 H 1 0.819 0.007 . 2 . . . A 22 VAL HG23 . 19791 1 208 . 1 1 22 22 VAL CA C 13 59.108 0.059 . 1 . . . A 22 VAL CA . 19791 1 209 . 1 1 22 22 VAL CB C 13 34.034 0.027 . 1 . . . A 22 VAL CB . 19791 1 210 . 1 1 22 22 VAL CG1 C 13 18.203 0.000 . 2 . . . A 22 VAL CG1 . 19791 1 211 . 1 1 22 22 VAL CG2 C 13 21.235 0.029 . 2 . . . A 22 VAL CG2 . 19791 1 212 . 1 1 22 22 VAL N N 15 113.093 0.065 . 1 . . . A 22 VAL N . 19791 1 213 . 1 1 23 23 SER H H 1 8.044 0.005 . 1 . . . A 23 SER H . 19791 1 214 . 1 1 23 23 SER HA H 1 4.730 0.004 . 1 . . . A 23 SER HA . 19791 1 215 . 1 1 23 23 SER HB2 H 1 3.603 0.006 . 2 . . . A 23 SER HB2 . 19791 1 216 . 1 1 23 23 SER HB3 H 1 3.734 0.003 . 2 . . . A 23 SER HB3 . 19791 1 217 . 1 1 23 23 SER CA C 13 53.648 0.039 . 1 . . . A 23 SER CA . 19791 1 218 . 1 1 23 23 SER CB C 13 64.924 0.000 . 1 . . . A 23 SER CB . 19791 1 219 . 1 1 23 23 SER N N 15 114.961 0.067 . 1 . . . A 23 SER N . 19791 1 220 . 1 1 24 24 PRO HA H 1 4.756 0.009 . 1 . . . A 24 PRO HA . 19791 1 221 . 1 1 24 24 PRO HB2 H 1 1.815 0.008 . 2 . . . A 24 PRO HB2 . 19791 1 222 . 1 1 24 24 PRO HB3 H 1 2.120 0.003 . 2 . . . A 24 PRO HB3 . 19791 1 223 . 1 1 24 24 PRO HG2 H 1 1.818 0.008 . 2 . . . A 24 PRO HG2 . 19791 1 224 . 1 1 24 24 PRO HG3 H 1 1.771 0.009 . 2 . . . A 24 PRO HG3 . 19791 1 225 . 1 1 24 24 PRO HD2 H 1 3.468 0.006 . 2 . . . A 24 PRO HD2 . 19791 1 226 . 1 1 24 24 PRO HD3 H 1 3.473 0.007 . 2 . . . A 24 PRO HD3 . 19791 1 227 . 1 1 24 24 PRO CA C 13 62.854 0.050 . 1 . . . A 24 PRO CA . 19791 1 228 . 1 1 24 24 PRO CB C 13 34.798 0.000 . 1 . . . A 24 PRO CB . 19791 1 229 . 1 1 24 24 PRO CG C 13 26.037 0.000 . 1 . . . A 24 PRO CG . 19791 1 230 . 1 1 24 24 PRO CD C 13 49.569 0.091 . 1 . . . A 24 PRO CD . 19791 1 231 . 1 1 25 25 ALA H H 1 7.955 0.004 . 1 . . . A 25 ALA H . 19791 1 232 . 1 1 25 25 ALA HA H 1 4.504 0.009 . 1 . . . A 25 ALA HA . 19791 1 233 . 1 1 25 25 ALA HB1 H 1 1.537 0.005 . 1 . . . A 25 ALA HB1 . 19791 1 234 . 1 1 25 25 ALA HB2 H 1 1.537 0.005 . 1 . . . A 25 ALA HB2 . 19791 1 235 . 1 1 25 25 ALA HB3 H 1 1.537 0.005 . 1 . . . A 25 ALA HB3 . 19791 1 236 . 1 1 25 25 ALA CA C 13 52.535 0.166 . 1 . . . A 25 ALA CA . 19791 1 237 . 1 1 25 25 ALA CB C 13 20.714 0.121 . 1 . . . A 25 ALA CB . 19791 1 238 . 1 1 25 25 ALA N N 15 120.374 0.006 . 1 . . . A 25 ALA N . 19791 1 239 . 1 1 26 26 GLU H H 1 7.847 0.005 . 1 . . . A 26 GLU H . 19791 1 240 . 1 1 26 26 GLU HA H 1 5.034 0.008 . 1 . . . A 26 GLU HA . 19791 1 241 . 1 1 26 26 GLU HB2 H 1 1.698 0.008 . 2 . . . A 26 GLU HB2 . 19791 1 242 . 1 1 26 26 GLU HB3 H 1 1.777 0.007 . 2 . . . A 26 GLU HB3 . 19791 1 243 . 1 1 26 26 GLU HG2 H 1 1.980 0.003 . 2 . . . A 26 GLU HG2 . 19791 1 244 . 1 1 26 26 GLU HG3 H 1 2.334 0.008 . 2 . . . A 26 GLU HG3 . 19791 1 245 . 1 1 26 26 GLU CA C 13 54.061 0.085 . 1 . . . A 26 GLU CA . 19791 1 246 . 1 1 26 26 GLU CB C 13 34.528 0.048 . 1 . . . A 26 GLU CB . 19791 1 247 . 1 1 26 26 GLU CG C 13 36.133 0.000 . 1 . . . A 26 GLU CG . 19791 1 248 . 1 1 26 26 GLU N N 15 115.442 0.062 . 1 . . . A 26 GLU N . 19791 1 249 . 1 1 27 27 LEU H H 1 8.878 0.003 . 1 . . . A 27 LEU H . 19791 1 250 . 1 1 27 27 LEU HA H 1 5.021 0.010 . 1 . . . A 27 LEU HA . 19791 1 251 . 1 1 27 27 LEU HB2 H 1 1.384 0.016 . 2 . . . A 27 LEU HB2 . 19791 1 252 . 1 1 27 27 LEU HB3 H 1 1.624 0.009 . 2 . . . A 27 LEU HB3 . 19791 1 253 . 1 1 27 27 LEU HG H 1 1.389 0.011 . 1 . . . A 27 LEU HG . 19791 1 254 . 1 1 27 27 LEU HD11 H 1 0.565 0.007 . 2 . . . A 27 LEU HD11 . 19791 1 255 . 1 1 27 27 LEU HD12 H 1 0.565 0.007 . 2 . . . A 27 LEU HD12 . 19791 1 256 . 1 1 27 27 LEU HD13 H 1 0.565 0.007 . 2 . . . A 27 LEU HD13 . 19791 1 257 . 1 1 27 27 LEU HD21 H 1 0.651 0.001 . 2 . . . A 27 LEU HD21 . 19791 1 258 . 1 1 27 27 LEU HD22 H 1 0.651 0.001 . 2 . . . A 27 LEU HD22 . 19791 1 259 . 1 1 27 27 LEU HD23 H 1 0.651 0.001 . 2 . . . A 27 LEU HD23 . 19791 1 260 . 1 1 27 27 LEU CA C 13 53.585 0.174 . 1 . . . A 27 LEU CA . 19791 1 261 . 1 1 27 27 LEU CB C 13 45.727 0.085 . 1 . . . A 27 LEU CB . 19791 1 262 . 1 1 27 27 LEU CG C 13 27.230 0.171 . 1 . . . A 27 LEU CG . 19791 1 263 . 1 1 27 27 LEU CD1 C 13 25.680 0.000 . 2 . . . A 27 LEU CD1 . 19791 1 264 . 1 1 27 27 LEU CD2 C 13 27.102 0.000 . 2 . . . A 27 LEU CD2 . 19791 1 265 . 1 1 27 27 LEU N N 15 124.501 0.011 . 1 . . . A 27 LEU N . 19791 1 266 . 1 1 28 28 THR H H 1 9.264 0.005 . 1 . . . A 28 THR H . 19791 1 267 . 1 1 28 28 THR HA H 1 5.200 0.008 . 1 . . . A 28 THR HA . 19791 1 268 . 1 1 28 28 THR HB H 1 3.943 0.006 . 1 . . . A 28 THR HB . 19791 1 269 . 1 1 28 28 THR HG21 H 1 1.124 0.001 . 1 . . . A 28 THR HG21 . 19791 1 270 . 1 1 28 28 THR HG22 H 1 1.124 0.001 . 1 . . . A 28 THR HG22 . 19791 1 271 . 1 1 28 28 THR HG23 H 1 1.124 0.001 . 1 . . . A 28 THR HG23 . 19791 1 272 . 1 1 28 28 THR CA C 13 61.259 0.096 . 1 . . . A 28 THR CA . 19791 1 273 . 1 1 28 28 THR CB C 13 71.693 0.086 . 1 . . . A 28 THR CB . 19791 1 274 . 1 1 28 28 THR CG2 C 13 22.230 0.102 . 1 . . . A 28 THR CG2 . 19791 1 275 . 1 1 28 28 THR N N 15 121.690 0.075 . 1 . . . A 28 THR N . 19791 1 276 . 1 1 29 29 TRP H H 1 9.429 0.008 . 1 . . . A 29 TRP H . 19791 1 277 . 1 1 29 29 TRP HA H 1 5.417 0.012 . 1 . . . A 29 TRP HA . 19791 1 278 . 1 1 29 29 TRP HB2 H 1 3.156 0.017 . 2 . . . A 29 TRP HB2 . 19791 1 279 . 1 1 29 29 TRP HB3 H 1 2.782 0.025 . 2 . . . A 29 TRP HB3 . 19791 1 280 . 1 1 29 29 TRP HD1 H 1 6.676 0.009 . 1 . . . A 29 TRP HD1 . 19791 1 281 . 1 1 29 29 TRP HZ2 H 1 7.632 0.008 . 1 . . . A 29 TRP HZ2 . 19791 1 282 . 1 1 29 29 TRP CA C 13 55.805 0.116 . 1 . . . A 29 TRP CA . 19791 1 283 . 1 1 29 29 TRP CB C 13 32.181 0.102 . 1 . . . A 29 TRP CB . 19791 1 284 . 1 1 29 29 TRP CD1 C 13 124.450 0.000 . 1 . . . A 29 TRP CD1 . 19791 1 285 . 1 1 29 29 TRP CZ2 C 13 114.660 0.000 . 1 . . . A 29 TRP CZ2 . 19791 1 286 . 1 1 29 29 TRP N N 15 129.692 0.131 . 1 . . . A 29 TRP N . 19791 1 287 . 1 1 30 30 ARG H H 1 7.602 0.007 . 1 . . . A 30 ARG H . 19791 1 288 . 1 1 30 30 ARG HA H 1 4.813 0.007 . 1 . . . A 30 ARG HA . 19791 1 289 . 1 1 30 30 ARG HB2 H 1 1.428 0.005 . 2 . . . A 30 ARG HB2 . 19791 1 290 . 1 1 30 30 ARG HB3 H 1 1.524 0.002 . 2 . . . A 30 ARG HB3 . 19791 1 291 . 1 1 30 30 ARG HG2 H 1 1.427 0.004 . 2 . . . A 30 ARG HG2 . 19791 1 292 . 1 1 30 30 ARG HG3 H 1 1.581 0.001 . 2 . . . A 30 ARG HG3 . 19791 1 293 . 1 1 30 30 ARG HD2 H 1 3.034 0.000 . 2 . . . A 30 ARG HD2 . 19791 1 294 . 1 1 30 30 ARG HD3 H 1 3.099 0.007 . 2 . . . A 30 ARG HD3 . 19791 1 295 . 1 1 30 30 ARG CA C 13 53.349 0.165 . 1 . . . A 30 ARG CA . 19791 1 296 . 1 1 30 30 ARG CB C 13 33.832 0.025 . 1 . . . A 30 ARG CB . 19791 1 297 . 1 1 30 30 ARG CG C 13 27.315 0.037 . 1 . . . A 30 ARG CG . 19791 1 298 . 1 1 30 30 ARG CD C 13 43.569 0.054 . 1 . . . A 30 ARG CD . 19791 1 299 . 1 1 30 30 ARG N N 15 126.426 0.060 . 1 . . . A 30 ARG N . 19791 1 300 . 1 1 31 31 SER H H 1 8.089 0.003 . 1 . . . A 31 SER H . 19791 1 301 . 1 1 31 31 SER HA H 1 4.108 0.004 . 1 . . . A 31 SER HA . 19791 1 302 . 1 1 31 31 SER HB2 H 1 4.470 0.006 . 2 . . . A 31 SER HB2 . 19791 1 303 . 1 1 31 31 SER HB3 H 1 3.997 0.005 . 2 . . . A 31 SER HB3 . 19791 1 304 . 1 1 31 31 SER CA C 13 57.777 0.116 . 1 . . . A 31 SER CA . 19791 1 305 . 1 1 31 31 SER CB C 13 64.221 0.020 . 1 . . . A 31 SER CB . 19791 1 306 . 1 1 31 31 SER N N 15 118.496 0.066 . 1 . . . A 31 SER N . 19791 1 307 . 1 1 32 32 THR H H 1 8.542 0.007 . 1 . . . A 32 THR H . 19791 1 308 . 1 1 32 32 THR HA H 1 3.855 0.006 . 1 . . . A 32 THR HA . 19791 1 309 . 1 1 32 32 THR HB H 1 4.121 0.004 . 1 . . . A 32 THR HB . 19791 1 310 . 1 1 32 32 THR HG21 H 1 1.218 0.005 . 1 . . . A 32 THR HG21 . 19791 1 311 . 1 1 32 32 THR HG22 H 1 1.218 0.005 . 1 . . . A 32 THR HG22 . 19791 1 312 . 1 1 32 32 THR HG23 H 1 1.218 0.005 . 1 . . . A 32 THR HG23 . 19791 1 313 . 1 1 32 32 THR CA C 13 66.281 0.089 . 1 . . . A 32 THR CA . 19791 1 314 . 1 1 32 32 THR CB C 13 68.554 0.208 . 1 . . . A 32 THR CB . 19791 1 315 . 1 1 32 32 THR CG2 C 13 22.513 0.113 . 1 . . . A 32 THR CG2 . 19791 1 316 . 1 1 32 32 THR N N 15 119.210 0.000 . 1 . . . A 32 THR N . 19791 1 317 . 1 1 33 33 ASP H H 1 8.220 0.002 . 1 . . . A 33 ASP H . 19791 1 318 . 1 1 33 33 ASP HA H 1 4.614 0.001 . 1 . . . A 33 ASP HA . 19791 1 319 . 1 1 33 33 ASP HB2 H 1 2.690 0.000 . 2 . . . A 33 ASP HB2 . 19791 1 320 . 1 1 33 33 ASP HB3 H 1 2.791 0.001 . 2 . . . A 33 ASP HB3 . 19791 1 321 . 1 1 33 33 ASP CA C 13 54.460 0.000 . 1 . . . A 33 ASP CA . 19791 1 322 . 1 1 33 33 ASP CB C 13 41.103 0.003 . 1 . . . A 33 ASP CB . 19791 1 323 . 1 1 33 33 ASP N N 15 117.365 0.065 . 1 . . . A 33 ASP N . 19791 1 324 . 1 1 34 34 GLY H H 1 8.254 0.006 . 1 . . . A 34 GLY H . 19791 1 325 . 1 1 34 34 GLY HA2 H 1 4.126 0.010 . 2 . . . A 34 GLY HA2 . 19791 1 326 . 1 1 34 34 GLY HA3 H 1 3.530 0.009 . 2 . . . A 34 GLY HA3 . 19791 1 327 . 1 1 34 34 GLY CA C 13 45.622 0.099 . 1 . . . A 34 GLY CA . 19791 1 328 . 1 1 34 34 GLY N N 15 107.685 0.063 . 1 . . . A 34 GLY N . 19791 1 329 . 1 1 35 35 ASP H H 1 8.257 0.004 . 1 . . . A 35 ASP H . 19791 1 330 . 1 1 35 35 ASP HA H 1 4.509 0.015 . 1 . . . A 35 ASP HA . 19791 1 331 . 1 1 35 35 ASP HB2 H 1 2.649 0.003 . 2 . . . A 35 ASP HB2 . 19791 1 332 . 1 1 35 35 ASP HB3 H 1 2.722 0.013 . 2 . . . A 35 ASP HB3 . 19791 1 333 . 1 1 35 35 ASP CA C 13 54.826 0.124 . 1 . . . A 35 ASP CA . 19791 1 334 . 1 1 35 35 ASP CB C 13 41.168 0.073 . 1 . . . A 35 ASP CB . 19791 1 335 . 1 1 35 35 ASP N N 15 118.050 0.066 . 1 . . . A 35 ASP N . 19791 1 336 . 1 1 36 36 LYS H H 1 7.757 0.005 . 1 . . . A 36 LYS H . 19791 1 337 . 1 1 36 36 LYS HA H 1 4.813 0.008 . 1 . . . A 36 LYS HA . 19791 1 338 . 1 1 36 36 LYS HB2 H 1 2.163 0.005 . 2 . . . A 36 LYS HB2 . 19791 1 339 . 1 1 36 36 LYS HB3 H 1 1.913 0.001 . 2 . . . A 36 LYS HB3 . 19791 1 340 . 1 1 36 36 LYS HG2 H 1 1.624 0.005 . 2 . . . A 36 LYS HG2 . 19791 1 341 . 1 1 36 36 LYS HG3 H 1 1.740 0.004 . 2 . . . A 36 LYS HG3 . 19791 1 342 . 1 1 36 36 LYS HD2 H 1 1.956 0.000 . 2 . . . A 36 LYS HD2 . 19791 1 343 . 1 1 36 36 LYS HD3 H 1 1.989 0.010 . 2 . . . A 36 LYS HD3 . 19791 1 344 . 1 1 36 36 LYS HE3 H 1 3.395 0.005 . 1 . . . A 36 LYS HE3 . 19791 1 345 . 1 1 36 36 LYS CA C 13 55.533 0.144 . 1 . . . A 36 LYS CA . 19791 1 346 . 1 1 36 36 LYS CB C 13 35.789 0.053 . 1 . . . A 36 LYS CB . 19791 1 347 . 1 1 36 36 LYS CG C 13 25.303 0.006 . 1 . . . A 36 LYS CG . 19791 1 348 . 1 1 36 36 LYS CD C 13 30.003 0.111 . 1 . . . A 36 LYS CD . 19791 1 349 . 1 1 36 36 LYS CE C 13 42.494 0.000 . 1 . . . A 36 LYS CE . 19791 1 350 . 1 1 36 36 LYS N N 15 120.447 0.070 . 1 . . . A 36 LYS N . 19791 1 351 . 1 1 37 37 VAL H H 1 8.535 0.004 . 1 . . . A 37 VAL H . 19791 1 352 . 1 1 37 37 VAL HA H 1 5.272 0.007 . 1 . . . A 37 VAL HA . 19791 1 353 . 1 1 37 37 VAL HB H 1 2.036 0.006 . 1 . . . A 37 VAL HB . 19791 1 354 . 1 1 37 37 VAL HG11 H 1 0.916 0.009 . 2 . . . A 37 VAL HG11 . 19791 1 355 . 1 1 37 37 VAL HG12 H 1 0.916 0.009 . 2 . . . A 37 VAL HG12 . 19791 1 356 . 1 1 37 37 VAL HG13 H 1 0.916 0.009 . 2 . . . A 37 VAL HG13 . 19791 1 357 . 1 1 37 37 VAL HG21 H 1 0.919 0.004 . 2 . . . A 37 VAL HG21 . 19791 1 358 . 1 1 37 37 VAL HG22 H 1 0.919 0.004 . 2 . . . A 37 VAL HG22 . 19791 1 359 . 1 1 37 37 VAL HG23 H 1 0.919 0.004 . 2 . . . A 37 VAL HG23 . 19791 1 360 . 1 1 37 37 VAL CA C 13 60.276 0.047 . 1 . . . A 37 VAL CA . 19791 1 361 . 1 1 37 37 VAL CB C 13 35.955 0.067 . 1 . . . A 37 VAL CB . 19791 1 362 . 1 1 37 37 VAL CG1 C 13 21.138 0.070 . 2 . . . A 37 VAL CG1 . 19791 1 363 . 1 1 37 37 VAL CG2 C 13 21.112 0.085 . 2 . . . A 37 VAL CG2 . 19791 1 364 . 1 1 37 37 VAL N N 15 121.785 0.000 . 1 . . . A 37 VAL N . 19791 1 365 . 1 1 38 38 HIS H H 1 9.656 0.005 . 1 . . . A 38 HIS H . 19791 1 366 . 1 1 38 38 HIS HA H 1 5.047 0.006 . 1 . . . A 38 HIS HA . 19791 1 367 . 1 1 38 38 HIS HB2 H 1 2.780 0.010 . 2 . . . A 38 HIS HB2 . 19791 1 368 . 1 1 38 38 HIS HB3 H 1 2.785 0.011 . 2 . . . A 38 HIS HB3 . 19791 1 369 . 1 1 38 38 HIS HD2 H 1 6.026 0.003 . 1 . . . A 38 HIS HD2 . 19791 1 370 . 1 1 38 38 HIS CA C 13 56.077 0.105 . 1 . . . A 38 HIS CA . 19791 1 371 . 1 1 38 38 HIS CB C 13 34.269 0.118 . 1 . . . A 38 HIS CB . 19791 1 372 . 1 1 38 38 HIS CD2 C 13 116.892 0.057 . 1 . . . A 38 HIS CD2 . 19791 1 373 . 1 1 38 38 HIS N N 15 126.415 0.040 . 1 . . . A 38 HIS N . 19791 1 374 . 1 1 39 39 THR H H 1 8.349 0.011 . 1 . . . A 39 THR H . 19791 1 375 . 1 1 39 39 THR HA H 1 5.138 0.007 . 1 . . . A 39 THR HA . 19791 1 376 . 1 1 39 39 THR HB H 1 3.735 0.007 . 1 . . . A 39 THR HB . 19791 1 377 . 1 1 39 39 THR HG21 H 1 0.973 0.011 . 1 . . . A 39 THR HG21 . 19791 1 378 . 1 1 39 39 THR HG22 H 1 0.973 0.011 . 1 . . . A 39 THR HG22 . 19791 1 379 . 1 1 39 39 THR HG23 H 1 0.973 0.011 . 1 . . . A 39 THR HG23 . 19791 1 380 . 1 1 39 39 THR CA C 13 61.509 0.034 . 1 . . . A 39 THR CA . 19791 1 381 . 1 1 39 39 THR CB C 13 71.004 0.084 . 1 . . . A 39 THR CB . 19791 1 382 . 1 1 39 39 THR CG2 C 13 21.906 0.131 . 1 . . . A 39 THR CG2 . 19791 1 383 . 1 1 39 39 THR N N 15 124.285 0.078 . 1 . . . A 39 THR N . 19791 1 384 . 1 1 40 40 VAL H H 1 9.368 0.003 . 1 . . . A 40 VAL H . 19791 1 385 . 1 1 40 40 VAL HA H 1 3.906 0.006 . 1 . . . A 40 VAL HA . 19791 1 386 . 1 1 40 40 VAL HB H 1 1.774 0.007 . 1 . . . A 40 VAL HB . 19791 1 387 . 1 1 40 40 VAL HG11 H 1 0.361 0.005 . 2 . . . A 40 VAL HG11 . 19791 1 388 . 1 1 40 40 VAL HG12 H 1 0.361 0.005 . 2 . . . A 40 VAL HG12 . 19791 1 389 . 1 1 40 40 VAL HG13 H 1 0.361 0.005 . 2 . . . A 40 VAL HG13 . 19791 1 390 . 1 1 40 40 VAL HG21 H 1 0.279 0.029 . 2 . . . A 40 VAL HG21 . 19791 1 391 . 1 1 40 40 VAL HG22 H 1 0.279 0.029 . 2 . . . A 40 VAL HG22 . 19791 1 392 . 1 1 40 40 VAL HG23 H 1 0.279 0.029 . 2 . . . A 40 VAL HG23 . 19791 1 393 . 1 1 40 40 VAL CA C 13 60.445 0.187 . 1 . . . A 40 VAL CA . 19791 1 394 . 1 1 40 40 VAL CB C 13 34.403 0.032 . 1 . . . A 40 VAL CB . 19791 1 395 . 1 1 40 40 VAL CG1 C 13 21.024 0.080 . 2 . . . A 40 VAL CG1 . 19791 1 396 . 1 1 40 40 VAL CG2 C 13 19.699 0.073 . 2 . . . A 40 VAL CG2 . 19791 1 397 . 1 1 40 40 VAL N N 15 126.093 0.061 . 1 . . . A 40 VAL N . 19791 1 398 . 1 1 41 41 VAL H H 1 9.031 0.002 . 1 . . . A 41 VAL H . 19791 1 399 . 1 1 41 41 VAL HA H 1 3.973 0.002 . 1 . . . A 41 VAL HA . 19791 1 400 . 1 1 41 41 VAL HB H 1 2.017 0.009 . 1 . . . A 41 VAL HB . 19791 1 401 . 1 1 41 41 VAL HG11 H 1 1.005 0.008 . 2 . . . A 41 VAL HG11 . 19791 1 402 . 1 1 41 41 VAL HG12 H 1 1.005 0.008 . 2 . . . A 41 VAL HG12 . 19791 1 403 . 1 1 41 41 VAL HG13 H 1 1.005 0.008 . 2 . . . A 41 VAL HG13 . 19791 1 404 . 1 1 41 41 VAL HG21 H 1 0.939 0.006 . 2 . . . A 41 VAL HG21 . 19791 1 405 . 1 1 41 41 VAL HG22 H 1 0.939 0.006 . 2 . . . A 41 VAL HG22 . 19791 1 406 . 1 1 41 41 VAL HG23 H 1 0.939 0.006 . 2 . . . A 41 VAL HG23 . 19791 1 407 . 1 1 41 41 VAL CA C 13 63.777 0.061 . 1 . . . A 41 VAL CA . 19791 1 408 . 1 1 41 41 VAL CB C 13 30.955 0.090 . 1 . . . A 41 VAL CB . 19791 1 409 . 1 1 41 41 VAL CG1 C 13 22.285 0.006 . 2 . . . A 41 VAL CG1 . 19791 1 410 . 1 1 41 41 VAL CG2 C 13 22.290 0.002 . 2 . . . A 41 VAL CG2 . 19791 1 411 . 1 1 41 41 VAL N N 15 130.582 0.133 . 1 . . . A 41 VAL N . 19791 1 412 . 1 1 42 42 LEU H H 1 9.178 0.004 . 1 . . . A 42 LEU H . 19791 1 413 . 1 1 42 42 LEU HA H 1 3.933 0.007 . 1 . . . A 42 LEU HA . 19791 1 414 . 1 1 42 42 LEU HB2 H 1 1.451 0.010 . 2 . . . A 42 LEU HB2 . 19791 1 415 . 1 1 42 42 LEU HB3 H 1 1.780 0.004 . 2 . . . A 42 LEU HB3 . 19791 1 416 . 1 1 42 42 LEU HG H 1 1.678 0.002 . 1 . . . A 42 LEU HG . 19791 1 417 . 1 1 42 42 LEU HD11 H 1 0.732 0.014 . 2 . . . A 42 LEU HD11 . 19791 1 418 . 1 1 42 42 LEU HD12 H 1 0.732 0.014 . 2 . . . A 42 LEU HD12 . 19791 1 419 . 1 1 42 42 LEU HD13 H 1 0.732 0.014 . 2 . . . A 42 LEU HD13 . 19791 1 420 . 1 1 42 42 LEU HD21 H 1 0.687 0.005 . 2 . . . A 42 LEU HD21 . 19791 1 421 . 1 1 42 42 LEU HD22 H 1 0.687 0.005 . 2 . . . A 42 LEU HD22 . 19791 1 422 . 1 1 42 42 LEU HD23 H 1 0.687 0.005 . 2 . . . A 42 LEU HD23 . 19791 1 423 . 1 1 42 42 LEU CA C 13 58.672 0.103 . 1 . . . A 42 LEU CA . 19791 1 424 . 1 1 42 42 LEU CB C 13 40.971 0.081 . 1 . . . A 42 LEU CB . 19791 1 425 . 1 1 42 42 LEU CG C 13 27.200 0.076 . 1 . . . A 42 LEU CG . 19791 1 426 . 1 1 42 42 LEU CD1 C 13 26.383 0.093 . 2 . . . A 42 LEU CD1 . 19791 1 427 . 1 1 42 42 LEU CD2 C 13 22.730 0.057 . 2 . . . A 42 LEU CD2 . 19791 1 428 . 1 1 42 42 LEU N N 15 130.805 0.065 . 1 . . . A 42 LEU N . 19791 1 429 . 1 1 43 43 SER H H 1 6.954 0.015 . 1 . . . A 43 SER H . 19791 1 430 . 1 1 43 43 SER HA H 1 3.913 0.006 . 1 . . . A 43 SER HA . 19791 1 431 . 1 1 43 43 SER HB2 H 1 2.607 0.002 . 2 . . . A 43 SER HB2 . 19791 1 432 . 1 1 43 43 SER HB3 H 1 3.760 0.004 . 2 . . . A 43 SER HB3 . 19791 1 433 . 1 1 43 43 SER CA C 13 59.401 0.007 . 1 . . . A 43 SER CA . 19791 1 434 . 1 1 43 43 SER CB C 13 61.407 0.103 . 1 . . . A 43 SER CB . 19791 1 435 . 1 1 43 43 SER N N 15 109.190 0.108 . 1 . . . A 43 SER N . 19791 1 436 . 1 1 44 44 THR H H 1 7.640 0.006 . 1 . . . A 44 THR H . 19791 1 437 . 1 1 44 44 THR HA H 1 4.508 0.009 . 1 . . . A 44 THR HA . 19791 1 438 . 1 1 44 44 THR HB H 1 4.659 0.003 . 1 . . . A 44 THR HB . 19791 1 439 . 1 1 44 44 THR HG21 H 1 1.208 0.008 . 1 . . . A 44 THR HG21 . 19791 1 440 . 1 1 44 44 THR HG22 H 1 1.208 0.008 . 1 . . . A 44 THR HG22 . 19791 1 441 . 1 1 44 44 THR HG23 H 1 1.208 0.008 . 1 . . . A 44 THR HG23 . 19791 1 442 . 1 1 44 44 THR CA C 13 62.173 0.077 . 1 . . . A 44 THR CA . 19791 1 443 . 1 1 44 44 THR CB C 13 69.990 0.095 . 1 . . . A 44 THR CB . 19791 1 444 . 1 1 44 44 THR CG2 C 13 21.238 0.071 . 1 . . . A 44 THR CG2 . 19791 1 445 . 1 1 44 44 THR N N 15 110.305 0.010 . 1 . . . A 44 THR N . 19791 1 446 . 1 1 45 45 ILE H H 1 7.100 0.006 . 1 . . . A 45 ILE H . 19791 1 447 . 1 1 45 45 ILE HA H 1 4.307 0.007 . 1 . . . A 45 ILE HA . 19791 1 448 . 1 1 45 45 ILE HB H 1 2.302 0.006 . 1 . . . A 45 ILE HB . 19791 1 449 . 1 1 45 45 ILE HG12 H 1 1.039 0.001 . 2 . . . A 45 ILE HG12 . 19791 1 450 . 1 1 45 45 ILE HG13 H 1 1.683 0.000 . 2 . . . A 45 ILE HG13 . 19791 1 451 . 1 1 45 45 ILE HG21 H 1 0.888 0.007 . 1 . . . A 45 ILE HG21 . 19791 1 452 . 1 1 45 45 ILE HG22 H 1 0.888 0.007 . 1 . . . A 45 ILE HG22 . 19791 1 453 . 1 1 45 45 ILE HG23 H 1 0.888 0.007 . 1 . . . A 45 ILE HG23 . 19791 1 454 . 1 1 45 45 ILE HD11 H 1 0.586 0.005 . 1 . . . A 45 ILE HD11 . 19791 1 455 . 1 1 45 45 ILE HD12 H 1 0.586 0.005 . 1 . . . A 45 ILE HD12 . 19791 1 456 . 1 1 45 45 ILE HD13 H 1 0.586 0.005 . 1 . . . A 45 ILE HD13 . 19791 1 457 . 1 1 45 45 ILE CA C 13 57.892 0.173 . 1 . . . A 45 ILE CA . 19791 1 458 . 1 1 45 45 ILE CB C 13 36.526 0.016 . 1 . . . A 45 ILE CB . 19791 1 459 . 1 1 45 45 ILE CG1 C 13 27.102 0.000 . 1 . . . A 45 ILE CG1 . 19791 1 460 . 1 1 45 45 ILE CG2 C 13 19.282 0.092 . 1 . . . A 45 ILE CG2 . 19791 1 461 . 1 1 45 45 ILE CD1 C 13 9.000 0.000 . 1 . . . A 45 ILE CD1 . 19791 1 462 . 1 1 45 45 ILE N N 15 120.886 0.062 . 1 . . . A 45 ILE N . 19791 1 463 . 1 1 46 46 ASP H H 1 9.315 0.006 . 1 . . . A 46 ASP H . 19791 1 464 . 1 1 46 46 ASP HA H 1 4.690 0.006 . 1 . . . A 46 ASP HA . 19791 1 465 . 1 1 46 46 ASP HB2 H 1 2.508 0.007 . 2 . . . A 46 ASP HB2 . 19791 1 466 . 1 1 46 46 ASP HB3 H 1 2.444 0.013 . 2 . . . A 46 ASP HB3 . 19791 1 467 . 1 1 46 46 ASP CA C 13 54.787 0.151 . 1 . . . A 46 ASP CA . 19791 1 468 . 1 1 46 46 ASP CB C 13 44.737 0.079 . 1 . . . A 46 ASP CB . 19791 1 469 . 1 1 46 46 ASP N N 15 126.383 0.090 . 1 . . . A 46 ASP N . 19791 1 470 . 1 1 47 47 LYS H H 1 7.534 0.008 . 1 . . . A 47 LYS H . 19791 1 471 . 1 1 47 47 LYS HA H 1 4.720 0.008 . 1 . . . A 47 LYS HA . 19791 1 472 . 1 1 47 47 LYS HB2 H 1 1.661 0.003 . 2 . . . A 47 LYS HB2 . 19791 1 473 . 1 1 47 47 LYS HB3 H 1 1.805 0.004 . 2 . . . A 47 LYS HB3 . 19791 1 474 . 1 1 47 47 LYS HG2 H 1 1.244 0.000 . 2 . . . A 47 LYS HG2 . 19791 1 475 . 1 1 47 47 LYS HG3 H 1 1.308 0.003 . 2 . . . A 47 LYS HG3 . 19791 1 476 . 1 1 47 47 LYS HD2 H 1 1.659 0.005 . 1 . . . A 47 LYS HD2 . 19791 1 477 . 1 1 47 47 LYS HD3 H 1 1.659 0.005 . 1 . . . A 47 LYS HD3 . 19791 1 478 . 1 1 47 47 LYS HE2 H 1 2.916 0.000 . 2 . . . A 47 LYS HE2 . 19791 1 479 . 1 1 47 47 LYS HE3 H 1 2.917 0.003 . 2 . . . A 47 LYS HE3 . 19791 1 480 . 1 1 47 47 LYS CA C 13 54.531 0.028 . 1 . . . A 47 LYS CA . 19791 1 481 . 1 1 47 47 LYS CB C 13 36.758 0.083 . 1 . . . A 47 LYS CB . 19791 1 482 . 1 1 47 47 LYS CG C 13 24.247 0.061 . 1 . . . A 47 LYS CG . 19791 1 483 . 1 1 47 47 LYS CD C 13 29.243 0.089 . 1 . . . A 47 LYS CD . 19791 1 484 . 1 1 47 47 LYS CE C 13 41.845 0.108 . 1 . . . A 47 LYS CE . 19791 1 485 . 1 1 47 47 LYS N N 15 112.478 0.063 . 1 . . . A 47 LYS N . 19791 1 486 . 1 1 48 48 LEU H H 1 8.743 0.001 . 1 . . . A 48 LEU H . 19791 1 487 . 1 1 48 48 LEU HA H 1 5.150 0.009 . 1 . . . A 48 LEU HA . 19791 1 488 . 1 1 48 48 LEU HB2 H 1 1.322 0.008 . 2 . . . A 48 LEU HB2 . 19791 1 489 . 1 1 48 48 LEU HB3 H 1 1.730 0.007 . 2 . . . A 48 LEU HB3 . 19791 1 490 . 1 1 48 48 LEU HG H 1 1.568 0.007 . 1 . . . A 48 LEU HG . 19791 1 491 . 1 1 48 48 LEU HD11 H 1 0.926 0.010 . 2 . . . A 48 LEU HD11 . 19791 1 492 . 1 1 48 48 LEU HD12 H 1 0.926 0.010 . 2 . . . A 48 LEU HD12 . 19791 1 493 . 1 1 48 48 LEU HD13 H 1 0.926 0.010 . 2 . . . A 48 LEU HD13 . 19791 1 494 . 1 1 48 48 LEU HD21 H 1 0.914 0.011 . 2 . . . A 48 LEU HD21 . 19791 1 495 . 1 1 48 48 LEU HD22 H 1 0.914 0.011 . 2 . . . A 48 LEU HD22 . 19791 1 496 . 1 1 48 48 LEU HD23 H 1 0.914 0.011 . 2 . . . A 48 LEU HD23 . 19791 1 497 . 1 1 48 48 LEU CA C 13 53.196 0.001 . 1 . . . A 48 LEU CA . 19791 1 498 . 1 1 48 48 LEU CB C 13 44.860 0.134 . 1 . . . A 48 LEU CB . 19791 1 499 . 1 1 48 48 LEU CG C 13 27.203 0.001 . 1 . . . A 48 LEU CG . 19791 1 500 . 1 1 48 48 LEU N N 15 123.049 0.019 . 1 . . . A 48 LEU N . 19791 1 501 . 1 1 49 49 GLN H H 1 9.240 0.004 . 1 . . . A 49 GLN H . 19791 1 502 . 1 1 49 49 GLN HA H 1 5.004 0.007 . 1 . . . A 49 GLN HA . 19791 1 503 . 1 1 49 49 GLN HB2 H 1 1.794 0.003 . 2 . . . A 49 GLN HB2 . 19791 1 504 . 1 1 49 49 GLN HB3 H 1 1.955 0.005 . 2 . . . A 49 GLN HB3 . 19791 1 505 . 1 1 49 49 GLN HG2 H 1 2.269 0.007 . 1 . . . A 49 GLN HG2 . 19791 1 506 . 1 1 49 49 GLN HG3 H 1 2.269 0.007 . 1 . . . A 49 GLN HG3 . 19791 1 507 . 1 1 49 49 GLN CA C 13 53.594 0.000 . 1 . . . A 49 GLN CA . 19791 1 508 . 1 1 49 49 GLN CB C 13 33.068 0.070 . 1 . . . A 49 GLN CB . 19791 1 509 . 1 1 49 49 GLN CG C 13 34.033 0.022 . 1 . . . A 49 GLN CG . 19791 1 510 . 1 1 49 49 GLN N N 15 123.258 0.067 . 1 . . . A 49 GLN N . 19791 1 511 . 1 1 50 50 ALA H H 1 8.961 0.003 . 1 . . . A 50 ALA H . 19791 1 512 . 1 1 50 50 ALA HA H 1 5.712 0.013 . 1 . . . A 50 ALA HA . 19791 1 513 . 1 1 50 50 ALA HB1 H 1 1.395 0.007 . 1 . . . A 50 ALA HB1 . 19791 1 514 . 1 1 50 50 ALA HB2 H 1 1.395 0.007 . 1 . . . A 50 ALA HB2 . 19791 1 515 . 1 1 50 50 ALA HB3 H 1 1.395 0.007 . 1 . . . A 50 ALA HB3 . 19791 1 516 . 1 1 50 50 ALA CA C 13 50.008 0.004 . 1 . . . A 50 ALA CA . 19791 1 517 . 1 1 50 50 ALA CB C 13 23.657 0.102 . 1 . . . A 50 ALA CB . 19791 1 518 . 1 1 50 50 ALA N N 15 123.940 0.004 . 1 . . . A 50 ALA N . 19791 1 519 . 1 1 51 51 THR H H 1 8.278 0.004 . 1 . . . A 51 THR H . 19791 1 520 . 1 1 51 51 THR HA H 1 4.400 0.007 . 1 . . . A 51 THR HA . 19791 1 521 . 1 1 51 51 THR HB H 1 4.232 0.002 . 1 . . . A 51 THR HB . 19791 1 522 . 1 1 51 51 THR HG21 H 1 0.845 0.004 . 1 . . . A 51 THR HG21 . 19791 1 523 . 1 1 51 51 THR HG22 H 1 0.845 0.004 . 1 . . . A 51 THR HG22 . 19791 1 524 . 1 1 51 51 THR HG23 H 1 0.845 0.004 . 1 . . . A 51 THR HG23 . 19791 1 525 . 1 1 51 51 THR CA C 13 59.398 0.000 . 1 . . . A 51 THR CA . 19791 1 526 . 1 1 51 51 THR CB C 13 68.031 0.000 . 1 . . . A 51 THR CB . 19791 1 527 . 1 1 51 51 THR CG2 C 13 23.917 0.041 . 1 . . . A 51 THR CG2 . 19791 1 528 . 1 1 51 51 THR N N 15 113.385 0.118 . 1 . . . A 51 THR N . 19791 1 529 . 1 1 52 52 PRO HA H 1 4.613 0.002 . 1 . . . A 52 PRO HA . 19791 1 530 . 1 1 52 52 PRO HB2 H 1 2.416 0.005 . 2 . . . A 52 PRO HB2 . 19791 1 531 . 1 1 52 52 PRO HB3 H 1 2.063 0.004 . 2 . . . A 52 PRO HB3 . 19791 1 532 . 1 1 52 52 PRO HG2 H 1 2.094 0.001 . 2 . . . A 52 PRO HG2 . 19791 1 533 . 1 1 52 52 PRO HG3 H 1 1.990 0.003 . 2 . . . A 52 PRO HG3 . 19791 1 534 . 1 1 52 52 PRO HD2 H 1 3.861 0.003 . 2 . . . A 52 PRO HD2 . 19791 1 535 . 1 1 52 52 PRO HD3 H 1 3.497 0.003 . 2 . . . A 52 PRO HD3 . 19791 1 536 . 1 1 52 52 PRO CA C 13 62.500 0.000 . 1 . . . A 52 PRO CA . 19791 1 537 . 1 1 52 52 PRO CB C 13 32.600 0.000 . 1 . . . A 52 PRO CB . 19791 1 538 . 1 1 52 52 PRO CG C 13 27.480 0.000 . 1 . . . A 52 PRO CG . 19791 1 539 . 1 1 52 52 PRO CD C 13 50.506 0.000 . 1 . . . A 52 PRO CD . 19791 1 540 . 1 1 53 53 ALA HA H 1 4.044 0.005 . 1 . . . A 53 ALA HA . 19791 1 541 . 1 1 53 53 ALA HB1 H 1 1.448 0.006 . 1 . . . A 53 ALA HB1 . 19791 1 542 . 1 1 53 53 ALA HB2 H 1 1.448 0.006 . 1 . . . A 53 ALA HB2 . 19791 1 543 . 1 1 53 53 ALA HB3 H 1 1.448 0.006 . 1 . . . A 53 ALA HB3 . 19791 1 544 . 1 1 53 53 ALA CA C 13 54.894 0.128 . 1 . . . A 53 ALA CA . 19791 1 545 . 1 1 53 53 ALA CB C 13 18.087 0.059 . 1 . . . A 53 ALA CB . 19791 1 546 . 1 1 54 54 SER H H 1 7.652 0.007 . 1 . . . A 54 SER H . 19791 1 547 . 1 1 54 54 SER HA H 1 4.249 0.009 . 1 . . . A 54 SER HA . 19791 1 548 . 1 1 54 54 SER HB2 H 1 4.069 0.011 . 2 . . . A 54 SER HB2 . 19791 1 549 . 1 1 54 54 SER HB3 H 1 3.826 0.014 . 2 . . . A 54 SER HB3 . 19791 1 550 . 1 1 54 54 SER CA C 13 58.090 0.104 . 1 . . . A 54 SER CA . 19791 1 551 . 1 1 54 54 SER CB C 13 63.085 0.022 . 1 . . . A 54 SER CB . 19791 1 552 . 1 1 54 54 SER N N 15 107.320 0.005 . 1 . . . A 54 SER N . 19791 1 553 . 1 1 55 55 SER H H 1 7.621 0.006 . 1 . . . A 55 SER H . 19791 1 554 . 1 1 55 55 SER HA H 1 4.481 0.006 . 1 . . . A 55 SER HA . 19791 1 555 . 1 1 55 55 SER HB2 H 1 3.963 0.007 . 2 . . . A 55 SER HB2 . 19791 1 556 . 1 1 55 55 SER HB3 H 1 3.880 0.007 . 2 . . . A 55 SER HB3 . 19791 1 557 . 1 1 55 55 SER CA C 13 57.450 0.019 . 1 . . . A 55 SER CA . 19791 1 558 . 1 1 55 55 SER CB C 13 64.152 0.059 . 1 . . . A 55 SER CB . 19791 1 559 . 1 1 55 55 SER N N 15 116.965 0.063 . 1 . . . A 55 SER N . 19791 1 560 . 1 1 56 56 GLU H H 1 8.900 0.005 . 1 . . . A 56 GLU H . 19791 1 561 . 1 1 56 56 GLU HA H 1 4.165 0.005 . 1 . . . A 56 GLU HA . 19791 1 562 . 1 1 56 56 GLU HB2 H 1 2.126 0.006 . 2 . . . A 56 GLU HB2 . 19791 1 563 . 1 1 56 56 GLU HB3 H 1 2.052 0.006 . 2 . . . A 56 GLU HB3 . 19791 1 564 . 1 1 56 56 GLU HG2 H 1 2.379 0.001 . 2 . . . A 56 GLU HG2 . 19791 1 565 . 1 1 56 56 GLU HG3 H 1 2.279 0.001 . 2 . . . A 56 GLU HG3 . 19791 1 566 . 1 1 56 56 GLU CA C 13 57.790 0.019 . 1 . . . A 56 GLU CA . 19791 1 567 . 1 1 56 56 GLU CB C 13 29.380 0.144 . 1 . . . A 56 GLU CB . 19791 1 568 . 1 1 56 56 GLU CG C 13 36.399 0.025 . 1 . . . A 56 GLU CG . 19791 1 569 . 1 1 56 56 GLU N N 15 125.504 0.065 . 1 . . . A 56 GLU N . 19791 1 570 . 1 1 57 57 LYS H H 1 8.046 0.004 . 1 . . . A 57 LYS H . 19791 1 571 . 1 1 57 57 LYS HA H 1 4.271 0.003 . 1 . . . A 57 LYS HA . 19791 1 572 . 1 1 57 57 LYS HB2 H 1 1.698 0.010 . 2 . . . A 57 LYS HB2 . 19791 1 573 . 1 1 57 57 LYS HB3 H 1 1.570 0.002 . 2 . . . A 57 LYS HB3 . 19791 1 574 . 1 1 57 57 LYS HG2 H 1 1.367 0.004 . 1 . . . A 57 LYS HG2 . 19791 1 575 . 1 1 57 57 LYS HG3 H 1 1.366 0.005 . 1 . . . A 57 LYS HG3 . 19791 1 576 . 1 1 57 57 LYS HD2 H 1 1.569 0.002 . 1 . . . A 57 LYS HD2 . 19791 1 577 . 1 1 57 57 LYS HD3 H 1 1.569 0.002 . 1 . . . A 57 LYS HD3 . 19791 1 578 . 1 1 57 57 LYS HE2 H 1 2.897 0.001 . 1 . . . A 57 LYS HE2 . 19791 1 579 . 1 1 57 57 LYS HE3 H 1 2.897 0.001 . 1 . . . A 57 LYS HE3 . 19791 1 580 . 1 1 57 57 LYS CA C 13 55.301 0.000 . 1 . . . A 57 LYS CA . 19791 1 581 . 1 1 57 57 LYS CB C 13 33.406 0.000 . 1 . . . A 57 LYS CB . 19791 1 582 . 1 1 57 57 LYS CG C 13 25.203 0.001 . 1 . . . A 57 LYS CG . 19791 1 583 . 1 1 57 57 LYS CD C 13 28.578 0.000 . 1 . . . A 57 LYS CD . 19791 1 584 . 1 1 57 57 LYS CE C 13 42.406 0.000 . 1 . . . A 57 LYS CE . 19791 1 585 . 1 1 57 57 LYS N N 15 118.852 0.066 . 1 . . . A 57 LYS N . 19791 1 586 . 1 1 58 58 MET H H 1 8.828 0.002 . 1 . . . A 58 MET H . 19791 1 587 . 1 1 58 58 MET HA H 1 4.298 0.025 . 1 . . . A 58 MET HA . 19791 1 588 . 1 1 58 58 MET HB2 H 1 2.091 0.010 . 2 . . . A 58 MET HB2 . 19791 1 589 . 1 1 58 58 MET HB3 H 1 2.403 0.004 . 2 . . . A 58 MET HB3 . 19791 1 590 . 1 1 58 58 MET HG2 H 1 2.308 0.003 . 2 . . . A 58 MET HG2 . 19791 1 591 . 1 1 58 58 MET HG3 H 1 2.304 0.008 . 2 . . . A 58 MET HG3 . 19791 1 592 . 1 1 58 58 MET HE1 H 1 2.066 0.002 . 1 . . . A 58 MET HE1 . 19791 1 593 . 1 1 58 58 MET HE2 H 1 2.066 0.002 . 1 . . . A 58 MET HE2 . 19791 1 594 . 1 1 58 58 MET HE3 H 1 2.066 0.002 . 1 . . . A 58 MET HE3 . 19791 1 595 . 1 1 58 58 MET CA C 13 55.097 0.000 . 1 . . . A 58 MET CA . 19791 1 596 . 1 1 58 58 MET CB C 13 34.898 0.000 . 1 . . . A 58 MET CB . 19791 1 597 . 1 1 58 58 MET CG C 13 32.055 0.000 . 1 . . . A 58 MET CG . 19791 1 598 . 1 1 58 58 MET CE C 13 17.836 0.031 . 1 . . . A 58 MET CE . 19791 1 599 . 1 1 58 58 MET N N 15 124.569 0.029 . 1 . . . A 58 MET N . 19791 1 600 . 1 1 59 59 MET H H 1 8.373 0.000 . 1 . . . A 59 MET H . 19791 1 601 . 1 1 59 59 MET HA H 1 5.770 0.010 . 1 . . . A 59 MET HA . 19791 1 602 . 1 1 59 59 MET HB2 H 1 1.865 0.006 . 2 . . . A 59 MET HB2 . 19791 1 603 . 1 1 59 59 MET HB3 H 1 2.216 0.009 . 2 . . . A 59 MET HB3 . 19791 1 604 . 1 1 59 59 MET HG2 H 1 2.251 0.002 . 2 . . . A 59 MET HG2 . 19791 1 605 . 1 1 59 59 MET HG3 H 1 2.680 0.008 . 2 . . . A 59 MET HG3 . 19791 1 606 . 1 1 59 59 MET HE1 H 1 1.583 0.004 . 1 . . . A 59 MET HE1 . 19791 1 607 . 1 1 59 59 MET HE2 H 1 1.583 0.004 . 1 . . . A 59 MET HE2 . 19791 1 608 . 1 1 59 59 MET HE3 H 1 1.583 0.004 . 1 . . . A 59 MET HE3 . 19791 1 609 . 1 1 59 59 MET CA C 13 54.710 0.016 . 1 . . . A 59 MET CA . 19791 1 610 . 1 1 59 59 MET CB C 13 39.417 0.039 . 1 . . . A 59 MET CB . 19791 1 611 . 1 1 59 59 MET CG C 13 32.218 0.003 . 1 . . . A 59 MET CG . 19791 1 612 . 1 1 59 59 MET CE C 13 17.417 0.045 . 1 . . . A 59 MET CE . 19791 1 613 . 1 1 59 59 MET N N 15 120.987 0.000 . 1 . . . A 59 MET N . 19791 1 614 . 1 1 60 60 LEU H H 1 9.029 0.006 . 1 . . . A 60 LEU H . 19791 1 615 . 1 1 60 60 LEU HA H 1 5.601 0.005 . 1 . . . A 60 LEU HA . 19791 1 616 . 1 1 60 60 LEU HB2 H 1 1.857 0.010 . 2 . . . A 60 LEU HB2 . 19791 1 617 . 1 1 60 60 LEU HB3 H 1 1.689 0.005 . 2 . . . A 60 LEU HB3 . 19791 1 618 . 1 1 60 60 LEU HG H 1 1.857 0.009 . 1 . . . A 60 LEU HG . 19791 1 619 . 1 1 60 60 LEU HD11 H 1 1.034 0.010 . 2 . . . A 60 LEU HD11 . 19791 1 620 . 1 1 60 60 LEU HD12 H 1 1.034 0.010 . 2 . . . A 60 LEU HD12 . 19791 1 621 . 1 1 60 60 LEU HD13 H 1 1.034 0.010 . 2 . . . A 60 LEU HD13 . 19791 1 622 . 1 1 60 60 LEU HD21 H 1 0.875 0.016 . 2 . . . A 60 LEU HD21 . 19791 1 623 . 1 1 60 60 LEU HD22 H 1 0.875 0.016 . 2 . . . A 60 LEU HD22 . 19791 1 624 . 1 1 60 60 LEU HD23 H 1 0.875 0.016 . 2 . . . A 60 LEU HD23 . 19791 1 625 . 1 1 60 60 LEU CA C 13 52.986 0.123 . 1 . . . A 60 LEU CA . 19791 1 626 . 1 1 60 60 LEU CB C 13 47.341 0.158 . 1 . . . A 60 LEU CB . 19791 1 627 . 1 1 60 60 LEU CG C 13 26.812 0.000 . 1 . . . A 60 LEU CG . 19791 1 628 . 1 1 60 60 LEU CD1 C 13 25.398 0.022 . 2 . . . A 60 LEU CD1 . 19791 1 629 . 1 1 60 60 LEU CD2 C 13 25.463 0.053 . 2 . . . A 60 LEU CD2 . 19791 1 630 . 1 1 60 60 LEU N N 15 118.365 0.064 . 1 . . . A 60 LEU N . 19791 1 631 . 1 1 61 61 ARG H H 1 6.284 0.001 . 1 . . . A 61 ARG H . 19791 1 632 . 1 1 61 61 ARG HA H 1 5.443 0.013 . 1 . . . A 61 ARG HA . 19791 1 633 . 1 1 61 61 ARG HB2 H 1 1.016 0.005 . 2 . . . A 61 ARG HB2 . 19791 1 634 . 1 1 61 61 ARG HB3 H 1 1.330 0.006 . 2 . . . A 61 ARG HB3 . 19791 1 635 . 1 1 61 61 ARG HG2 H 1 1.148 0.002 . 2 . . . A 61 ARG HG2 . 19791 1 636 . 1 1 61 61 ARG HG3 H 1 1.017 0.002 . 2 . . . A 61 ARG HG3 . 19791 1 637 . 1 1 61 61 ARG HD2 H 1 2.409 0.000 . 2 . . . A 61 ARG HD2 . 19791 1 638 . 1 1 61 61 ARG HD3 H 1 2.703 0.001 . 2 . . . A 61 ARG HD3 . 19791 1 639 . 1 1 61 61 ARG HE H 1 6.271 0.002 . 1 . . . A 61 ARG HE . 19791 1 640 . 1 1 61 61 ARG CA C 13 54.634 0.065 . 1 . . . A 61 ARG CA . 19791 1 641 . 1 1 61 61 ARG CB C 13 34.722 0.010 . 1 . . . A 61 ARG CB . 19791 1 642 . 1 1 61 61 ARG CG C 13 26.141 0.000 . 1 . . . A 61 ARG CG . 19791 1 643 . 1 1 61 61 ARG CD C 13 44.060 0.000 . 1 . . . A 61 ARG CD . 19791 1 644 . 1 1 61 61 ARG N N 15 121.269 0.062 . 1 . . . A 61 ARG N . 19791 1 645 . 1 1 61 61 ARG NE N 15 114.915 0.097 . 1 . . . A 61 ARG NE . 19791 1 646 . 1 1 62 62 LEU H H 1 9.255 0.005 . 1 . . . A 62 LEU H . 19791 1 647 . 1 1 62 62 LEU HA H 1 5.045 0.011 . 1 . . . A 62 LEU HA . 19791 1 648 . 1 1 62 62 LEU HB2 H 1 1.909 0.008 . 2 . . . A 62 LEU HB2 . 19791 1 649 . 1 1 62 62 LEU HB3 H 1 1.696 0.009 . 2 . . . A 62 LEU HB3 . 19791 1 650 . 1 1 62 62 LEU HG H 1 1.843 0.006 . 1 . . . A 62 LEU HG . 19791 1 651 . 1 1 62 62 LEU HD11 H 1 0.917 0.012 . 2 . . . A 62 LEU HD11 . 19791 1 652 . 1 1 62 62 LEU HD12 H 1 0.917 0.012 . 2 . . . A 62 LEU HD12 . 19791 1 653 . 1 1 62 62 LEU HD13 H 1 0.917 0.012 . 2 . . . A 62 LEU HD13 . 19791 1 654 . 1 1 62 62 LEU HD21 H 1 1.003 0.010 . 2 . . . A 62 LEU HD21 . 19791 1 655 . 1 1 62 62 LEU HD22 H 1 1.003 0.010 . 2 . . . A 62 LEU HD22 . 19791 1 656 . 1 1 62 62 LEU HD23 H 1 1.003 0.010 . 2 . . . A 62 LEU HD23 . 19791 1 657 . 1 1 62 62 LEU CA C 13 54.249 0.181 . 1 . . . A 62 LEU CA . 19791 1 658 . 1 1 62 62 LEU CB C 13 43.062 0.062 . 1 . . . A 62 LEU CB . 19791 1 659 . 1 1 62 62 LEU CG C 13 28.898 0.000 . 1 . . . A 62 LEU CG . 19791 1 660 . 1 1 62 62 LEU CD1 C 13 26.563 0.000 . 2 . . . A 62 LEU CD1 . 19791 1 661 . 1 1 62 62 LEU CD2 C 13 25.242 0.000 . 2 . . . A 62 LEU CD2 . 19791 1 662 . 1 1 62 62 LEU N N 15 126.662 0.133 . 1 . . . A 62 LEU N . 19791 1 663 . 1 1 63 63 ILE H H 1 8.938 0.003 . 1 . . . A 63 ILE H . 19791 1 664 . 1 1 63 63 ILE HA H 1 4.605 0.013 . 1 . . . A 63 ILE HA . 19791 1 665 . 1 1 63 63 ILE HB H 1 1.906 0.007 . 1 . . . A 63 ILE HB . 19791 1 666 . 1 1 63 63 ILE HG12 H 1 1.285 0.009 . 2 . . . A 63 ILE HG12 . 19791 1 667 . 1 1 63 63 ILE HG13 H 1 1.034 0.005 . 2 . . . A 63 ILE HG13 . 19791 1 668 . 1 1 63 63 ILE HG21 H 1 1.040 0.008 . 1 . . . A 63 ILE HG21 . 19791 1 669 . 1 1 63 63 ILE HG22 H 1 1.040 0.008 . 1 . . . A 63 ILE HG22 . 19791 1 670 . 1 1 63 63 ILE HG23 H 1 1.040 0.008 . 1 . . . A 63 ILE HG23 . 19791 1 671 . 1 1 63 63 ILE HD11 H 1 0.621 0.011 . 1 . . . A 63 ILE HD11 . 19791 1 672 . 1 1 63 63 ILE HD12 H 1 0.621 0.011 . 1 . . . A 63 ILE HD12 . 19791 1 673 . 1 1 63 63 ILE HD13 H 1 0.621 0.011 . 1 . . . A 63 ILE HD13 . 19791 1 674 . 1 1 63 63 ILE CA C 13 59.838 0.091 . 1 . . . A 63 ILE CA . 19791 1 675 . 1 1 63 63 ILE CB C 13 38.721 0.068 . 1 . . . A 63 ILE CB . 19791 1 676 . 1 1 63 63 ILE CG1 C 13 27.233 0.000 . 1 . . . A 63 ILE CG1 . 19791 1 677 . 1 1 63 63 ILE CG2 C 13 17.305 0.000 . 1 . . . A 63 ILE CG2 . 19791 1 678 . 1 1 63 63 ILE CD1 C 13 11.966 0.024 . 1 . . . A 63 ILE CD1 . 19791 1 679 . 1 1 63 63 ILE N N 15 123.421 0.066 . 1 . . . A 63 ILE N . 19791 1 680 . 1 1 64 64 GLY H H 1 9.326 0.005 . 1 . . . A 64 GLY H . 19791 1 681 . 1 1 64 64 GLY HA2 H 1 4.037 0.003 . 2 . . . A 64 GLY HA2 . 19791 1 682 . 1 1 64 64 GLY HA3 H 1 4.706 0.012 . 2 . . . A 64 GLY HA3 . 19791 1 683 . 1 1 64 64 GLY CA C 13 45.584 0.048 . 1 . . . A 64 GLY CA . 19791 1 684 . 1 1 64 64 GLY N N 15 115.528 0.070 . 1 . . . A 64 GLY N . 19791 1 685 . 1 1 65 65 LYS H H 1 8.347 0.004 . 1 . . . A 65 LYS H . 19791 1 686 . 1 1 65 65 LYS HA H 1 4.289 0.005 . 1 . . . A 65 LYS HA . 19791 1 687 . 1 1 65 65 LYS HB2 H 1 1.594 0.007 . 2 . . . A 65 LYS HB2 . 19791 1 688 . 1 1 65 65 LYS HB3 H 1 1.899 0.007 . 2 . . . A 65 LYS HB3 . 19791 1 689 . 1 1 65 65 LYS HG2 H 1 1.216 0.003 . 2 . . . A 65 LYS HG2 . 19791 1 690 . 1 1 65 65 LYS HG3 H 1 1.414 0.006 . 2 . . . A 65 LYS HG3 . 19791 1 691 . 1 1 65 65 LYS HD2 H 1 1.730 0.010 . 1 . . . A 65 LYS HD2 . 19791 1 692 . 1 1 65 65 LYS HD3 H 1 1.730 0.010 . 1 . . . A 65 LYS HD3 . 19791 1 693 . 1 1 65 65 LYS HE2 H 1 2.858 0.001 . 2 . . . A 65 LYS HE2 . 19791 1 694 . 1 1 65 65 LYS HE3 H 1 2.949 0.010 . 2 . . . A 65 LYS HE3 . 19791 1 695 . 1 1 65 65 LYS CA C 13 56.602 0.129 . 1 . . . A 65 LYS CA . 19791 1 696 . 1 1 65 65 LYS CB C 13 34.433 0.056 . 1 . . . A 65 LYS CB . 19791 1 697 . 1 1 65 65 LYS CG C 13 26.217 0.049 . 1 . . . A 65 LYS CG . 19791 1 698 . 1 1 65 65 LYS CD C 13 29.454 0.126 . 1 . . . A 65 LYS CD . 19791 1 699 . 1 1 65 65 LYS CE C 13 42.513 0.018 . 1 . . . A 65 LYS CE . 19791 1 700 . 1 1 65 65 LYS N N 15 119.432 0.065 . 1 . . . A 65 LYS N . 19791 1 701 . 1 1 66 66 VAL H H 1 8.627 0.005 . 1 . . . A 66 VAL H . 19791 1 702 . 1 1 66 66 VAL HA H 1 4.082 0.006 . 1 . . . A 66 VAL HA . 19791 1 703 . 1 1 66 66 VAL HB H 1 1.969 0.007 . 1 . . . A 66 VAL HB . 19791 1 704 . 1 1 66 66 VAL HG11 H 1 0.899 0.005 . 2 . . . A 66 VAL HG11 . 19791 1 705 . 1 1 66 66 VAL HG12 H 1 0.899 0.005 . 2 . . . A 66 VAL HG12 . 19791 1 706 . 1 1 66 66 VAL HG13 H 1 0.899 0.005 . 2 . . . A 66 VAL HG13 . 19791 1 707 . 1 1 66 66 VAL HG21 H 1 0.838 0.006 . 2 . . . A 66 VAL HG21 . 19791 1 708 . 1 1 66 66 VAL HG22 H 1 0.838 0.006 . 2 . . . A 66 VAL HG22 . 19791 1 709 . 1 1 66 66 VAL HG23 H 1 0.838 0.006 . 2 . . . A 66 VAL HG23 . 19791 1 710 . 1 1 66 66 VAL CA C 13 62.229 0.055 . 1 . . . A 66 VAL CA . 19791 1 711 . 1 1 66 66 VAL CB C 13 33.298 0.024 . 1 . . . A 66 VAL CB . 19791 1 712 . 1 1 66 66 VAL CG1 C 13 21.377 0.026 . 2 . . . A 66 VAL CG1 . 19791 1 713 . 1 1 66 66 VAL CG2 C 13 21.544 0.139 . 2 . . . A 66 VAL CG2 . 19791 1 714 . 1 1 66 66 VAL N N 15 122.174 0.067 . 1 . . . A 66 VAL N . 19791 1 715 . 1 1 67 67 ASP H H 1 8.450 0.004 . 1 . . . A 67 ASP H . 19791 1 716 . 1 1 67 67 ASP HA H 1 4.708 0.005 . 1 . . . A 67 ASP HA . 19791 1 717 . 1 1 67 67 ASP HB2 H 1 2.589 0.009 . 2 . . . A 67 ASP HB2 . 19791 1 718 . 1 1 67 67 ASP HB3 H 1 2.824 0.011 . 2 . . . A 67 ASP HB3 . 19791 1 719 . 1 1 67 67 ASP CA C 13 53.107 0.189 . 1 . . . A 67 ASP CA . 19791 1 720 . 1 1 67 67 ASP CB C 13 40.988 0.063 . 1 . . . A 67 ASP CB . 19791 1 721 . 1 1 67 67 ASP N N 15 125.488 0.065 . 1 . . . A 67 ASP N . 19791 1 722 . 1 1 68 68 GLU H H 1 8.748 0.003 . 1 . . . A 68 GLU H . 19791 1 723 . 1 1 68 68 GLU HA H 1 4.103 0.004 . 1 . . . A 68 GLU HA . 19791 1 724 . 1 1 68 68 GLU HB2 H 1 2.174 0.004 . 2 . . . A 68 GLU HB2 . 19791 1 725 . 1 1 68 68 GLU HB3 H 1 1.993 0.006 . 2 . . . A 68 GLU HB3 . 19791 1 726 . 1 1 68 68 GLU HG2 H 1 2.356 0.005 . 2 . . . A 68 GLU HG2 . 19791 1 727 . 1 1 68 68 GLU HG3 H 1 2.246 0.005 . 2 . . . A 68 GLU HG3 . 19791 1 728 . 1 1 68 68 GLU CA C 13 57.718 0.054 . 1 . . . A 68 GLU CA . 19791 1 729 . 1 1 68 68 GLU CB C 13 29.619 0.041 . 1 . . . A 68 GLU CB . 19791 1 730 . 1 1 68 68 GLU CG C 13 36.508 0.004 . 1 . . . A 68 GLU CG . 19791 1 731 . 1 1 68 68 GLU N N 15 124.482 0.069 . 1 . . . A 68 GLU N . 19791 1 732 . 1 1 69 69 SER H H 1 8.488 0.007 . 1 . . . A 69 SER H . 19791 1 733 . 1 1 69 69 SER HA H 1 4.321 0.007 . 1 . . . A 69 SER HA . 19791 1 734 . 1 1 69 69 SER HB2 H 1 3.947 0.003 . 2 . . . A 69 SER HB2 . 19791 1 735 . 1 1 69 69 SER HB3 H 1 3.982 0.015 . 2 . . . A 69 SER HB3 . 19791 1 736 . 1 1 69 69 SER CA C 13 60.088 0.001 . 1 . . . A 69 SER CA . 19791 1 737 . 1 1 69 69 SER CB C 13 63.235 0.001 . 1 . . . A 69 SER CB . 19791 1 738 . 1 1 69 69 SER N N 15 115.608 0.065 . 1 . . . A 69 SER N . 19791 1 739 . 1 1 70 70 LYS H H 1 7.698 0.005 . 1 . . . A 70 LYS H . 19791 1 740 . 1 1 70 70 LYS HA H 1 4.400 0.007 . 1 . . . A 70 LYS HA . 19791 1 741 . 1 1 70 70 LYS HB2 H 1 1.760 0.008 . 2 . . . A 70 LYS HB2 . 19791 1 742 . 1 1 70 70 LYS HB3 H 1 1.933 0.003 . 2 . . . A 70 LYS HB3 . 19791 1 743 . 1 1 70 70 LYS HG2 H 1 1.463 0.003 . 2 . . . A 70 LYS HG2 . 19791 1 744 . 1 1 70 70 LYS HG3 H 1 1.351 0.004 . 2 . . . A 70 LYS HG3 . 19791 1 745 . 1 1 70 70 LYS HD2 H 1 1.659 0.001 . 1 . . . A 70 LYS HD2 . 19791 1 746 . 1 1 70 70 LYS HD3 H 1 1.660 0.001 . 1 . . . A 70 LYS HD3 . 19791 1 747 . 1 1 70 70 LYS HE2 H 1 2.914 0.001 . 1 . . . A 70 LYS HE2 . 19791 1 748 . 1 1 70 70 LYS HE3 H 1 2.914 0.001 . 1 . . . A 70 LYS HE3 . 19791 1 749 . 1 1 70 70 LYS CA C 13 55.358 0.088 . 1 . . . A 70 LYS CA . 19791 1 750 . 1 1 70 70 LYS CB C 13 32.498 0.034 . 1 . . . A 70 LYS CB . 19791 1 751 . 1 1 70 70 LYS CG C 13 24.799 0.009 . 1 . . . A 70 LYS CG . 19791 1 752 . 1 1 70 70 LYS CD C 13 29.102 0.000 . 1 . . . A 70 LYS CD . 19791 1 753 . 1 1 70 70 LYS CE C 13 42.000 0.000 . 1 . . . A 70 LYS CE . 19791 1 754 . 1 1 70 70 LYS N N 15 121.729 0.067 . 1 . . . A 70 LYS N . 19791 1 755 . 1 1 71 71 LYS H H 1 7.754 0.004 . 1 . . . A 71 LYS H . 19791 1 756 . 1 1 71 71 LYS HA H 1 4.389 0.010 . 1 . . . A 71 LYS HA . 19791 1 757 . 1 1 71 71 LYS HB2 H 1 1.793 0.011 . 2 . . . A 71 LYS HB2 . 19791 1 758 . 1 1 71 71 LYS HB3 H 1 1.773 0.008 . 2 . . . A 71 LYS HB3 . 19791 1 759 . 1 1 71 71 LYS HG2 H 1 1.473 0.004 . 2 . . . A 71 LYS HG2 . 19791 1 760 . 1 1 71 71 LYS HG3 H 1 1.373 0.006 . 2 . . . A 71 LYS HG3 . 19791 1 761 . 1 1 71 71 LYS HD2 H 1 1.662 0.004 . 1 . . . A 71 LYS HD2 . 19791 1 762 . 1 1 71 71 LYS HD3 H 1 1.662 0.004 . 1 . . . A 71 LYS HD3 . 19791 1 763 . 1 1 71 71 LYS HE2 H 1 2.994 0.003 . 1 . . . A 71 LYS HE2 . 19791 1 764 . 1 1 71 71 LYS HE3 H 1 2.994 0.003 . 1 . . . A 71 LYS HE3 . 19791 1 765 . 1 1 71 71 LYS CA C 13 56.609 0.000 . 1 . . . A 71 LYS CA . 19791 1 766 . 1 1 71 71 LYS CB C 13 33.261 0.101 . 1 . . . A 71 LYS CB . 19791 1 767 . 1 1 71 71 LYS CG C 13 25.020 0.015 . 1 . . . A 71 LYS CG . 19791 1 768 . 1 1 71 71 LYS CD C 13 28.449 0.129 . 1 . . . A 71 LYS CD . 19791 1 769 . 1 1 71 71 LYS CE C 13 43.406 0.000 . 1 . . . A 71 LYS CE . 19791 1 770 . 1 1 71 71 LYS N N 15 121.014 0.065 . 1 . . . A 71 LYS N . 19791 1 771 . 1 1 72 72 ARG H H 1 8.400 0.002 . 1 . . . A 72 ARG H . 19791 1 772 . 1 1 72 72 ARG HA H 1 4.576 0.009 . 1 . . . A 72 ARG HA . 19791 1 773 . 1 1 72 72 ARG HB2 H 1 1.756 0.011 . 2 . . . A 72 ARG HB2 . 19791 1 774 . 1 1 72 72 ARG HB3 H 1 1.885 0.002 . 2 . . . A 72 ARG HB3 . 19791 1 775 . 1 1 72 72 ARG HG2 H 1 1.594 0.002 . 1 . . . A 72 ARG HG2 . 19791 1 776 . 1 1 72 72 ARG HG3 H 1 1.594 0.002 . 1 . . . A 72 ARG HG3 . 19791 1 777 . 1 1 72 72 ARG HD2 H 1 3.201 0.001 . 2 . . . A 72 ARG HD2 . 19791 1 778 . 1 1 72 72 ARG HD3 H 1 3.199 0.002 . 2 . . . A 72 ARG HD3 . 19791 1 779 . 1 1 72 72 ARG CA C 13 55.033 0.160 . 1 . . . A 72 ARG CA . 19791 1 780 . 1 1 72 72 ARG CB C 13 32.195 0.000 . 1 . . . A 72 ARG CB . 19791 1 781 . 1 1 72 72 ARG CG C 13 26.843 0.000 . 1 . . . A 72 ARG CG . 19791 1 782 . 1 1 72 72 ARG CD C 13 43.572 0.084 . 1 . . . A 72 ARG CD . 19791 1 783 . 1 1 72 72 ARG N N 15 122.136 0.041 . 1 . . . A 72 ARG N . 19791 1 784 . 1 1 73 73 LYS H H 1 8.399 0.003 . 1 . . . A 73 LYS H . 19791 1 785 . 1 1 73 73 LYS HA H 1 4.881 0.017 . 1 . . . A 73 LYS HA . 19791 1 786 . 1 1 73 73 LYS HB2 H 1 1.731 0.006 . 1 . . . A 73 LYS HB2 . 19791 1 787 . 1 1 73 73 LYS HB3 H 1 1.731 0.006 . 1 . . . A 73 LYS HB3 . 19791 1 788 . 1 1 73 73 LYS HG2 H 1 1.320 0.007 . 2 . . . A 73 LYS HG2 . 19791 1 789 . 1 1 73 73 LYS HG3 H 1 1.413 0.001 . 2 . . . A 73 LYS HG3 . 19791 1 790 . 1 1 73 73 LYS HD2 H 1 1.615 0.007 . 1 . . . A 73 LYS HD2 . 19791 1 791 . 1 1 73 73 LYS HD3 H 1 1.615 0.007 . 1 . . . A 73 LYS HD3 . 19791 1 792 . 1 1 73 73 LYS HE2 H 1 2.963 0.000 . 1 . . . A 73 LYS HE2 . 19791 1 793 . 1 1 73 73 LYS HE3 H 1 2.963 0.000 . 1 . . . A 73 LYS HE3 . 19791 1 794 . 1 1 73 73 LYS CA C 13 55.369 0.089 . 1 . . . A 73 LYS CA . 19791 1 795 . 1 1 73 73 LYS CB C 13 34.567 0.060 . 1 . . . A 73 LYS CB . 19791 1 796 . 1 1 73 73 LYS CG C 13 25.016 0.060 . 1 . . . A 73 LYS CG . 19791 1 797 . 1 1 73 73 LYS CD C 13 29.036 0.090 . 1 . . . A 73 LYS CD . 19791 1 798 . 1 1 73 73 LYS CE C 13 42.197 0.013 . 1 . . . A 73 LYS CE . 19791 1 799 . 1 1 73 73 LYS N N 15 121.365 0.065 . 1 . . . A 73 LYS N . 19791 1 800 . 1 1 74 74 ASP H H 1 8.570 0.003 . 1 . . . A 74 ASP H . 19791 1 801 . 1 1 74 74 ASP HA H 1 4.640 0.006 . 1 . . . A 74 ASP HA . 19791 1 802 . 1 1 74 74 ASP HB2 H 1 2.639 0.005 . 2 . . . A 74 ASP HB2 . 19791 1 803 . 1 1 74 74 ASP HB3 H 1 3.138 0.011 . 2 . . . A 74 ASP HB3 . 19791 1 804 . 1 1 74 74 ASP CA C 13 52.882 0.195 . 1 . . . A 74 ASP CA . 19791 1 805 . 1 1 74 74 ASP CB C 13 40.407 0.003 . 1 . . . A 74 ASP CB . 19791 1 806 . 1 1 74 74 ASP N N 15 122.006 0.066 . 1 . . . A 74 ASP N . 19791 1 807 . 1 1 75 75 ASN H H 1 8.417 0.003 . 1 . . . A 75 ASN H . 19791 1 808 . 1 1 75 75 ASN HA H 1 4.541 0.005 . 1 . . . A 75 ASN HA . 19791 1 809 . 1 1 75 75 ASN HB2 H 1 2.859 0.006 . 2 . . . A 75 ASN HB2 . 19791 1 810 . 1 1 75 75 ASN HB3 H 1 2.858 0.009 . 2 . . . A 75 ASN HB3 . 19791 1 811 . 1 1 75 75 ASN CA C 13 54.798 0.095 . 1 . . . A 75 ASN CA . 19791 1 812 . 1 1 75 75 ASN CB C 13 38.242 0.030 . 1 . . . A 75 ASN CB . 19791 1 813 . 1 1 75 75 ASN N N 15 116.314 0.066 . 1 . . . A 75 ASN N . 19791 1 814 . 1 1 76 76 GLU H H 1 8.166 0.007 . 1 . . . A 76 GLU H . 19791 1 815 . 1 1 76 76 GLU HA H 1 4.372 0.008 . 1 . . . A 76 GLU HA . 19791 1 816 . 1 1 76 76 GLU HB2 H 1 1.971 0.005 . 2 . . . A 76 GLU HB2 . 19791 1 817 . 1 1 76 76 GLU HB3 H 1 2.221 0.006 . 2 . . . A 76 GLU HB3 . 19791 1 818 . 1 1 76 76 GLU HG2 H 1 2.221 0.006 . 2 . . . A 76 GLU HG2 . 19791 1 819 . 1 1 76 76 GLU HG3 H 1 2.224 0.001 . 2 . . . A 76 GLU HG3 . 19791 1 820 . 1 1 76 76 GLU CA C 13 56.163 0.000 . 1 . . . A 76 GLU CA . 19791 1 821 . 1 1 76 76 GLU CB C 13 30.203 0.001 . 1 . . . A 76 GLU CB . 19791 1 822 . 1 1 76 76 GLU CG C 13 36.814 0.002 . 1 . . . A 76 GLU CG . 19791 1 823 . 1 1 76 76 GLU N N 15 119.074 0.064 . 1 . . . A 76 GLU N . 19791 1 824 . 1 1 77 77 GLY H H 1 8.115 0.006 . 1 . . . A 77 GLY H . 19791 1 825 . 1 1 77 77 GLY HA2 H 1 3.680 0.005 . 2 . . . A 77 GLY HA2 . 19791 1 826 . 1 1 77 77 GLY HA3 H 1 4.195 0.006 . 2 . . . A 77 GLY HA3 . 19791 1 827 . 1 1 77 77 GLY CA C 13 45.278 0.029 . 1 . . . A 77 GLY CA . 19791 1 828 . 1 1 77 77 GLY N N 15 107.105 0.005 . 1 . . . A 77 GLY N . 19791 1 829 . 1 1 78 78 ASN H H 1 8.545 0.006 . 1 . . . A 78 ASN H . 19791 1 830 . 1 1 78 78 ASN HA H 1 4.741 0.005 . 1 . . . A 78 ASN HA . 19791 1 831 . 1 1 78 78 ASN HB2 H 1 2.663 0.005 . 2 . . . A 78 ASN HB2 . 19791 1 832 . 1 1 78 78 ASN HB3 H 1 2.849 0.007 . 2 . . . A 78 ASN HB3 . 19791 1 833 . 1 1 78 78 ASN HD21 H 1 7.046 0.000 . 1 . . . A 78 ASN HD21 . 19791 1 834 . 1 1 78 78 ASN HD22 H 1 8.198 0.000 . 1 . . . A 78 ASN HD22 . 19791 1 835 . 1 1 78 78 ASN CA C 13 52.832 0.108 . 1 . . . A 78 ASN CA . 19791 1 836 . 1 1 78 78 ASN CB C 13 39.118 0.025 . 1 . . . A 78 ASN CB . 19791 1 837 . 1 1 78 78 ASN N N 15 119.847 0.066 . 1 . . . A 78 ASN N . 19791 1 838 . 1 1 79 79 GLU H H 1 8.681 0.003 . 1 . . . A 79 GLU H . 19791 1 839 . 1 1 79 79 GLU HA H 1 4.459 0.010 . 1 . . . A 79 GLU HA . 19791 1 840 . 1 1 79 79 GLU HB2 H 1 1.927 0.004 . 1 . . . A 79 GLU HB2 . 19791 1 841 . 1 1 79 79 GLU HB3 H 1 1.927 0.004 . 1 . . . A 79 GLU HB3 . 19791 1 842 . 1 1 79 79 GLU HG2 H 1 2.268 0.008 . 2 . . . A 79 GLU HG2 . 19791 1 843 . 1 1 79 79 GLU HG3 H 1 2.103 0.008 . 2 . . . A 79 GLU HG3 . 19791 1 844 . 1 1 79 79 GLU CA C 13 56.747 0.077 . 1 . . . A 79 GLU CA . 19791 1 845 . 1 1 79 79 GLU CB C 13 30.605 0.006 . 1 . . . A 79 GLU CB . 19791 1 846 . 1 1 79 79 GLU CG C 13 36.903 0.009 . 1 . . . A 79 GLU CG . 19791 1 847 . 1 1 79 79 GLU N N 15 121.696 0.067 . 1 . . . A 79 GLU N . 19791 1 848 . 1 1 80 80 VAL H H 1 8.551 0.003 . 1 . . . A 80 VAL H . 19791 1 849 . 1 1 80 80 VAL HA H 1 4.238 0.008 . 1 . . . A 80 VAL HA . 19791 1 850 . 1 1 80 80 VAL HB H 1 1.965 0.007 . 1 . . . A 80 VAL HB . 19791 1 851 . 1 1 80 80 VAL HG11 H 1 0.863 0.007 . 2 . . . A 80 VAL HG11 . 19791 1 852 . 1 1 80 80 VAL HG12 H 1 0.863 0.007 . 2 . . . A 80 VAL HG12 . 19791 1 853 . 1 1 80 80 VAL HG13 H 1 0.863 0.007 . 2 . . . A 80 VAL HG13 . 19791 1 854 . 1 1 80 80 VAL HG21 H 1 0.874 0.024 . 2 . . . A 80 VAL HG21 . 19791 1 855 . 1 1 80 80 VAL HG22 H 1 0.874 0.024 . 2 . . . A 80 VAL HG22 . 19791 1 856 . 1 1 80 80 VAL HG23 H 1 0.874 0.024 . 2 . . . A 80 VAL HG23 . 19791 1 857 . 1 1 80 80 VAL CA C 13 61.531 0.120 . 1 . . . A 80 VAL CA . 19791 1 858 . 1 1 80 80 VAL CB C 13 33.500 0.082 . 1 . . . A 80 VAL CB . 19791 1 859 . 1 1 80 80 VAL CG1 C 13 20.206 0.004 . 1 . . . A 80 VAL CG1 . 19791 1 860 . 1 1 80 80 VAL CG2 C 13 20.206 0.004 . 1 . . . A 80 VAL CG2 . 19791 1 861 . 1 1 80 80 VAL N N 15 123.885 0.067 . 1 . . . A 80 VAL N . 19791 1 862 . 1 1 81 81 VAL H H 1 8.397 0.002 . 1 . . . A 81 VAL H . 19791 1 863 . 1 1 81 81 VAL HA H 1 4.419 0.006 . 1 . . . A 81 VAL HA . 19791 1 864 . 1 1 81 81 VAL HB H 1 2.041 0.006 . 1 . . . A 81 VAL HB . 19791 1 865 . 1 1 81 81 VAL HG11 H 1 0.972 0.001 . 2 . . . A 81 VAL HG11 . 19791 1 866 . 1 1 81 81 VAL HG12 H 1 0.972 0.001 . 2 . . . A 81 VAL HG12 . 19791 1 867 . 1 1 81 81 VAL HG13 H 1 0.972 0.001 . 2 . . . A 81 VAL HG13 . 19791 1 868 . 1 1 81 81 VAL HG21 H 1 0.976 0.006 . 2 . . . A 81 VAL HG21 . 19791 1 869 . 1 1 81 81 VAL HG22 H 1 0.976 0.006 . 2 . . . A 81 VAL HG22 . 19791 1 870 . 1 1 81 81 VAL HG23 H 1 0.976 0.006 . 2 . . . A 81 VAL HG23 . 19791 1 871 . 1 1 81 81 VAL CA C 13 59.529 0.035 . 1 . . . A 81 VAL CA . 19791 1 872 . 1 1 81 81 VAL CB C 13 32.822 0.000 . 1 . . . A 81 VAL CB . 19791 1 873 . 1 1 81 81 VAL CG1 C 13 20.484 0.000 . 1 . . . A 81 VAL CG1 . 19791 1 874 . 1 1 81 81 VAL CG2 C 13 20.484 0.000 . 1 . . . A 81 VAL CG2 . 19791 1 875 . 1 1 81 81 VAL N N 15 126.595 0.065 . 1 . . . A 81 VAL N . 19791 1 876 . 1 1 82 82 PRO HA H 1 4.421 0.007 . 1 . . . A 82 PRO HA . 19791 1 877 . 1 1 82 82 PRO HB2 H 1 1.872 0.006 . 2 . . . A 82 PRO HB2 . 19791 1 878 . 1 1 82 82 PRO HB3 H 1 2.265 0.005 . 2 . . . A 82 PRO HB3 . 19791 1 879 . 1 1 82 82 PRO HG2 H 1 1.948 0.004 . 2 . . . A 82 PRO HG2 . 19791 1 880 . 1 1 82 82 PRO HG3 H 1 2.037 0.003 . 2 . . . A 82 PRO HG3 . 19791 1 881 . 1 1 82 82 PRO HD2 H 1 3.856 0.007 . 2 . . . A 82 PRO HD2 . 19791 1 882 . 1 1 82 82 PRO HD3 H 1 3.638 0.014 . 2 . . . A 82 PRO HD3 . 19791 1 883 . 1 1 82 82 PRO CA C 13 62.661 0.027 . 1 . . . A 82 PRO CA . 19791 1 884 . 1 1 82 82 PRO CB C 13 32.336 0.001 . 1 . . . A 82 PRO CB . 19791 1 885 . 1 1 82 82 PRO CG C 13 27.463 0.011 . 1 . . . A 82 PRO CG . 19791 1 886 . 1 1 82 82 PRO CD C 13 50.920 0.019 . 1 . . . A 82 PRO CD . 19791 1 887 . 1 1 83 83 LYS H H 1 8.309 0.003 . 1 . . . A 83 LYS H . 19791 1 888 . 1 1 83 83 LYS HA H 1 4.562 0.004 . 1 . . . A 83 LYS HA . 19791 1 889 . 1 1 83 83 LYS HB2 H 1 1.794 0.005 . 2 . . . A 83 LYS HB2 . 19791 1 890 . 1 1 83 83 LYS HB3 H 1 1.683 0.005 . 2 . . . A 83 LYS HB3 . 19791 1 891 . 1 1 83 83 LYS HG2 H 1 1.488 0.007 . 2 . . . A 83 LYS HG2 . 19791 1 892 . 1 1 83 83 LYS HG3 H 1 1.553 0.003 . 2 . . . A 83 LYS HG3 . 19791 1 893 . 1 1 83 83 LYS HD2 H 1 1.554 0.005 . 2 . . . A 83 LYS HD2 . 19791 1 894 . 1 1 83 83 LYS HD3 H 1 1.681 0.007 . 2 . . . A 83 LYS HD3 . 19791 1 895 . 1 1 83 83 LYS HE2 H 1 2.874 0.001 . 1 . . . A 83 LYS HE2 . 19791 1 896 . 1 1 83 83 LYS HE3 H 1 2.874 0.001 . 1 . . . A 83 LYS HE3 . 19791 1 897 . 1 1 83 83 LYS CA C 13 53.596 0.064 . 1 . . . A 83 LYS CA . 19791 1 898 . 1 1 83 83 LYS CB C 13 32.408 0.022 . 1 . . . A 83 LYS CB . 19791 1 899 . 1 1 83 83 LYS CG C 13 24.570 0.000 . 1 . . . A 83 LYS CG . 19791 1 900 . 1 1 83 83 LYS CD C 13 29.391 0.000 . 1 . . . A 83 LYS CD . 19791 1 901 . 1 1 83 83 LYS CE C 13 41.016 0.000 . 1 . . . A 83 LYS CE . 19791 1 902 . 1 1 83 83 LYS N N 15 121.854 0.067 . 1 . . . A 83 LYS N . 19791 1 903 . 1 1 84 84 PRO HA H 1 4.303 0.005 . 1 . . . A 84 PRO HA . 19791 1 904 . 1 1 84 84 PRO HB2 H 1 1.793 0.004 . 2 . . . A 84 PRO HB2 . 19791 1 905 . 1 1 84 84 PRO HB3 H 1 2.230 0.006 . 2 . . . A 84 PRO HB3 . 19791 1 906 . 1 1 84 84 PRO HG2 H 1 1.911 0.001 . 1 . . . A 84 PRO HG2 . 19791 1 907 . 1 1 84 84 PRO HG3 H 1 1.911 0.001 . 1 . . . A 84 PRO HG3 . 19791 1 908 . 1 1 84 84 PRO HD2 H 1 3.617 0.002 . 2 . . . A 84 PRO HD2 . 19791 1 909 . 1 1 84 84 PRO HD3 H 1 3.773 0.002 . 2 . . . A 84 PRO HD3 . 19791 1 910 . 1 1 84 84 PRO CA C 13 62.543 0.016 . 1 . . . A 84 PRO CA . 19791 1 911 . 1 1 84 84 PRO CB C 13 32.729 0.024 . 1 . . . A 84 PRO CB . 19791 1 912 . 1 1 84 84 PRO CG C 13 27.252 0.019 . 1 . . . A 84 PRO CG . 19791 1 913 . 1 1 84 84 PRO CD C 13 50.319 0.046 . 1 . . . A 84 PRO CD . 19791 1 914 . 1 1 85 85 GLN H H 1 8.461 0.004 . 1 . . . A 85 GLN H . 19791 1 915 . 1 1 85 85 GLN HA H 1 4.143 0.009 . 1 . . . A 85 GLN HA . 19791 1 916 . 1 1 85 85 GLN HB2 H 1 1.835 0.010 . 2 . . . A 85 GLN HB2 . 19791 1 917 . 1 1 85 85 GLN HB3 H 1 1.930 0.006 . 2 . . . A 85 GLN HB3 . 19791 1 918 . 1 1 85 85 GLN HG2 H 1 2.229 0.007 . 2 . . . A 85 GLN HG2 . 19791 1 919 . 1 1 85 85 GLN HG3 H 1 2.340 0.006 . 2 . . . A 85 GLN HG3 . 19791 1 920 . 1 1 85 85 GLN CA C 13 56.055 0.099 . 1 . . . A 85 GLN CA . 19791 1 921 . 1 1 85 85 GLN CB C 13 29.738 0.075 . 1 . . . A 85 GLN CB . 19791 1 922 . 1 1 85 85 GLN CG C 13 34.162 0.005 . 1 . . . A 85 GLN CG . 19791 1 923 . 1 1 85 85 GLN N N 15 121.286 0.065 . 1 . . . A 85 GLN N . 19791 1 924 . 1 1 86 86 ARG H H 1 8.247 0.002 . 1 . . . A 86 ARG H . 19791 1 925 . 1 1 86 86 ARG HA H 1 5.167 0.006 . 1 . . . A 86 ARG HA . 19791 1 926 . 1 1 86 86 ARG HB2 H 1 1.647 0.004 . 2 . . . A 86 ARG HB2 . 19791 1 927 . 1 1 86 86 ARG HB3 H 1 1.382 0.007 . 2 . . . A 86 ARG HB3 . 19791 1 928 . 1 1 86 86 ARG HG2 H 1 1.384 0.006 . 2 . . . A 86 ARG HG2 . 19791 1 929 . 1 1 86 86 ARG HG3 H 1 1.610 0.010 . 2 . . . A 86 ARG HG3 . 19791 1 930 . 1 1 86 86 ARG HD2 H 1 2.988 0.006 . 1 . . . A 86 ARG HD2 . 19791 1 931 . 1 1 86 86 ARG HD3 H 1 2.988 0.006 . 1 . . . A 86 ARG HD3 . 19791 1 932 . 1 1 86 86 ARG CA C 13 54.514 0.135 . 1 . . . A 86 ARG CA . 19791 1 933 . 1 1 86 86 ARG CB C 13 33.327 0.041 . 1 . . . A 86 ARG CB . 19791 1 934 . 1 1 86 86 ARG CG C 13 27.411 0.009 . 1 . . . A 86 ARG CG . 19791 1 935 . 1 1 86 86 ARG CD C 13 43.757 0.001 . 1 . . . A 86 ARG CD . 19791 1 936 . 1 1 86 86 ARG N N 15 120.981 0.003 . 1 . . . A 86 ARG N . 19791 1 937 . 1 1 87 87 HIS H H 1 8.613 0.007 . 1 . . . A 87 HIS H . 19791 1 938 . 1 1 87 87 HIS HA H 1 4.724 0.004 . 1 . . . A 87 HIS HA . 19791 1 939 . 1 1 87 87 HIS HB2 H 1 2.724 0.013 . 2 . . . A 87 HIS HB2 . 19791 1 940 . 1 1 87 87 HIS HB3 H 1 3.186 0.013 . 2 . . . A 87 HIS HB3 . 19791 1 941 . 1 1 87 87 HIS HD1 H 1 6.659 0.012 . 1 . . . A 87 HIS HD1 . 19791 1 942 . 1 1 87 87 HIS HD2 H 1 6.668 0.005 . 1 . . . A 87 HIS HD2 . 19791 1 943 . 1 1 87 87 HIS CA C 13 54.106 0.001 . 1 . . . A 87 HIS CA . 19791 1 944 . 1 1 87 87 HIS CB C 13 33.449 0.011 . 1 . . . A 87 HIS CB . 19791 1 945 . 1 1 87 87 HIS CD2 C 13 118.134 0.000 . 1 . . . A 87 HIS CD2 . 19791 1 946 . 1 1 87 87 HIS N N 15 120.562 0.059 . 1 . . . A 87 HIS N . 19791 1 947 . 1 1 88 88 MET H H 1 8.732 0.003 . 1 . . . A 88 MET H . 19791 1 948 . 1 1 88 88 MET HA H 1 5.284 0.010 . 1 . . . A 88 MET HA . 19791 1 949 . 1 1 88 88 MET HB2 H 1 1.579 0.007 . 2 . . . A 88 MET HB2 . 19791 1 950 . 1 1 88 88 MET HB3 H 1 1.940 0.015 . 2 . . . A 88 MET HB3 . 19791 1 951 . 1 1 88 88 MET HG2 H 1 2.214 0.010 . 2 . . . A 88 MET HG2 . 19791 1 952 . 1 1 88 88 MET HG3 H 1 2.336 0.014 . 2 . . . A 88 MET HG3 . 19791 1 953 . 1 1 88 88 MET HE1 H 1 1.709 0.003 . 1 . . . A 88 MET HE1 . 19791 1 954 . 1 1 88 88 MET HE2 H 1 1.709 0.003 . 1 . . . A 88 MET HE2 . 19791 1 955 . 1 1 88 88 MET HE3 H 1 1.709 0.003 . 1 . . . A 88 MET HE3 . 19791 1 956 . 1 1 88 88 MET CA C 13 54.720 0.097 . 1 . . . A 88 MET CA . 19791 1 957 . 1 1 88 88 MET CB C 13 36.014 0.030 . 1 . . . A 88 MET CB . 19791 1 958 . 1 1 88 88 MET CG C 13 32.339 0.011 . 1 . . . A 88 MET CG . 19791 1 959 . 1 1 88 88 MET CE C 13 17.442 0.033 . 1 . . . A 88 MET CE . 19791 1 960 . 1 1 88 88 MET N N 15 126.389 0.065 . 1 . . . A 88 MET N . 19791 1 961 . 1 1 89 89 PHE H H 1 9.005 0.005 . 1 . . . A 89 PHE H . 19791 1 962 . 1 1 89 89 PHE HA H 1 5.192 0.009 . 1 . . . A 89 PHE HA . 19791 1 963 . 1 1 89 89 PHE HB2 H 1 2.623 0.002 . 2 . . . A 89 PHE HB2 . 19791 1 964 . 1 1 89 89 PHE HB3 H 1 2.568 0.008 . 2 . . . A 89 PHE HB3 . 19791 1 965 . 1 1 89 89 PHE HD1 H 1 6.824 0.000 . 3 . . . A 89 PHE HD1 . 19791 1 966 . 1 1 89 89 PHE HD2 H 1 6.824 0.000 . 3 . . . A 89 PHE HD2 . 19791 1 967 . 1 1 89 89 PHE CA C 13 56.246 0.001 . 1 . . . A 89 PHE CA . 19791 1 968 . 1 1 89 89 PHE CB C 13 44.171 0.009 . 1 . . . A 89 PHE CB . 19791 1 969 . 1 1 89 89 PHE CD1 C 13 130.852 0.000 . 3 . . . A 89 PHE CD1 . 19791 1 970 . 1 1 89 89 PHE CD2 C 13 130.852 0.000 . 3 . . . A 89 PHE CD2 . 19791 1 971 . 1 1 89 89 PHE N N 15 122.260 0.067 . 1 . . . A 89 PHE N . 19791 1 972 . 1 1 90 90 SER H H 1 8.652 0.008 . 1 . . . A 90 SER H . 19791 1 973 . 1 1 90 90 SER HA H 1 5.637 0.012 . 1 . . . A 90 SER HA . 19791 1 974 . 1 1 90 90 SER HB2 H 1 3.805 0.007 . 2 . . . A 90 SER HB2 . 19791 1 975 . 1 1 90 90 SER HB3 H 1 3.687 0.007 . 2 . . . A 90 SER HB3 . 19791 1 976 . 1 1 90 90 SER CA C 13 56.750 0.112 . 1 . . . A 90 SER CA . 19791 1 977 . 1 1 90 90 SER CB C 13 64.977 0.020 . 1 . . . A 90 SER CB . 19791 1 978 . 1 1 90 90 SER N N 15 115.889 0.050 . 1 . . . A 90 SER N . 19791 1 979 . 1 1 91 91 PHE H H 1 8.970 0.003 . 1 . . . A 91 PHE H . 19791 1 980 . 1 1 91 91 PHE HA H 1 4.879 0.021 . 1 . . . A 91 PHE HA . 19791 1 981 . 1 1 91 91 PHE HB2 H 1 2.793 0.010 . 2 . . . A 91 PHE HB2 . 19791 1 982 . 1 1 91 91 PHE HB3 H 1 3.302 0.008 . 2 . . . A 91 PHE HB3 . 19791 1 983 . 1 1 91 91 PHE HD1 H 1 7.465 0.000 . 3 . . . A 91 PHE HD1 . 19791 1 984 . 1 1 91 91 PHE HD2 H 1 7.465 0.000 . 3 . . . A 91 PHE HD2 . 19791 1 985 . 1 1 91 91 PHE CA C 13 57.418 0.022 . 1 . . . A 91 PHE CA . 19791 1 986 . 1 1 91 91 PHE CB C 13 43.524 0.044 . 1 . . . A 91 PHE CB . 19791 1 987 . 1 1 91 91 PHE CD1 C 13 131.847 0.000 . 3 . . . A 91 PHE CD1 . 19791 1 988 . 1 1 91 91 PHE CD2 C 13 131.847 0.000 . 3 . . . A 91 PHE CD2 . 19791 1 989 . 1 1 91 91 PHE N N 15 120.746 0.104 . 1 . . . A 91 PHE N . 19791 1 990 . 1 1 92 92 ASN H H 1 9.113 0.004 . 1 . . . A 92 ASN H . 19791 1 991 . 1 1 92 92 ASN HA H 1 5.091 0.008 . 1 . . . A 92 ASN HA . 19791 1 992 . 1 1 92 92 ASN HB2 H 1 2.897 0.007 . 2 . . . A 92 ASN HB2 . 19791 1 993 . 1 1 92 92 ASN HB3 H 1 2.899 0.009 . 2 . . . A 92 ASN HB3 . 19791 1 994 . 1 1 92 92 ASN CA C 13 52.517 0.121 . 1 . . . A 92 ASN CA . 19791 1 995 . 1 1 92 92 ASN CB C 13 39.934 0.051 . 1 . . . A 92 ASN CB . 19791 1 996 . 1 1 92 92 ASN N N 15 115.909 0.075 . 1 . . . A 92 ASN N . 19791 1 997 . 1 1 93 93 ASN H H 1 7.266 0.012 . 1 . . . A 93 ASN H . 19791 1 998 . 1 1 93 93 ASN HA H 1 4.900 0.008 . 1 . . . A 93 ASN HA . 19791 1 999 . 1 1 93 93 ASN HB2 H 1 2.837 0.028 . 2 . . . A 93 ASN HB2 . 19791 1 1000 . 1 1 93 93 ASN HB3 H 1 2.887 0.002 . 2 . . . A 93 ASN HB3 . 19791 1 1001 . 1 1 93 93 ASN CA C 13 53.078 0.102 . 1 . . . A 93 ASN CA . 19791 1 1002 . 1 1 93 93 ASN CB C 13 41.874 0.065 . 1 . . . A 93 ASN CB . 19791 1 1003 . 1 1 93 93 ASN N N 15 118.503 0.070 . 1 . . . A 93 ASN N . 19791 1 1004 . 1 1 94 94 ARG H H 1 9.309 0.004 . 1 . . . A 94 ARG H . 19791 1 1005 . 1 1 94 94 ARG HA H 1 3.857 0.013 . 1 . . . A 94 ARG HA . 19791 1 1006 . 1 1 94 94 ARG HB2 H 1 1.800 0.003 . 2 . . . A 94 ARG HB2 . 19791 1 1007 . 1 1 94 94 ARG HB3 H 1 2.010 0.006 . 2 . . . A 94 ARG HB3 . 19791 1 1008 . 1 1 94 94 ARG HG2 H 1 1.650 0.000 . 2 . . . A 94 ARG HG2 . 19791 1 1009 . 1 1 94 94 ARG HG3 H 1 1.799 0.002 . 2 . . . A 94 ARG HG3 . 19791 1 1010 . 1 1 94 94 ARG HD2 H 1 3.115 0.003 . 2 . . . A 94 ARG HD2 . 19791 1 1011 . 1 1 94 94 ARG HD3 H 1 3.386 0.004 . 2 . . . A 94 ARG HD3 . 19791 1 1012 . 1 1 94 94 ARG CA C 13 59.154 0.062 . 1 . . . A 94 ARG CA . 19791 1 1013 . 1 1 94 94 ARG CB C 13 30.101 0.002 . 1 . . . A 94 ARG CB . 19791 1 1014 . 1 1 94 94 ARG CG C 13 26.420 0.053 . 1 . . . A 94 ARG CG . 19791 1 1015 . 1 1 94 94 ARG CD C 13 42.736 0.018 . 1 . . . A 94 ARG CD . 19791 1 1016 . 1 1 94 94 ARG N N 15 130.177 0.129 . 1 . . . A 94 ARG N . 19791 1 1017 . 1 1 95 95 THR H H 1 7.970 0.007 . 1 . . . A 95 THR H . 19791 1 1018 . 1 1 95 95 THR HA H 1 4.008 0.009 . 1 . . . A 95 THR HA . 19791 1 1019 . 1 1 95 95 THR HB H 1 4.313 0.002 . 1 . . . A 95 THR HB . 19791 1 1020 . 1 1 95 95 THR HG21 H 1 1.278 0.009 . 1 . . . A 95 THR HG21 . 19791 1 1021 . 1 1 95 95 THR HG22 H 1 1.278 0.009 . 1 . . . A 95 THR HG22 . 19791 1 1022 . 1 1 95 95 THR HG23 H 1 1.278 0.009 . 1 . . . A 95 THR HG23 . 19791 1 1023 . 1 1 95 95 THR CA C 13 66.418 0.001 . 1 . . . A 95 THR CA . 19791 1 1024 . 1 1 95 95 THR CB C 13 67.841 0.002 . 1 . . . A 95 THR CB . 19791 1 1025 . 1 1 95 95 THR CG2 C 13 21.727 0.001 . 1 . . . A 95 THR CG2 . 19791 1 1026 . 1 1 95 95 THR N N 15 115.564 0.003 . 1 . . . A 95 THR N . 19791 1 1027 . 1 1 96 96 VAL H H 1 7.585 0.005 . 1 . . . A 96 VAL H . 19791 1 1028 . 1 1 96 96 VAL HA H 1 3.777 0.008 . 1 . . . A 96 VAL HA . 19791 1 1029 . 1 1 96 96 VAL HB H 1 2.365 0.011 . 1 . . . A 96 VAL HB . 19791 1 1030 . 1 1 96 96 VAL HG11 H 1 1.224 0.012 . 2 . . . A 96 VAL HG11 . 19791 1 1031 . 1 1 96 96 VAL HG12 H 1 1.224 0.012 . 2 . . . A 96 VAL HG12 . 19791 1 1032 . 1 1 96 96 VAL HG13 H 1 1.224 0.012 . 2 . . . A 96 VAL HG13 . 19791 1 1033 . 1 1 96 96 VAL HG21 H 1 1.257 0.017 . 2 . . . A 96 VAL HG21 . 19791 1 1034 . 1 1 96 96 VAL HG22 H 1 1.257 0.017 . 2 . . . A 96 VAL HG22 . 19791 1 1035 . 1 1 96 96 VAL HG23 H 1 1.257 0.017 . 2 . . . A 96 VAL HG23 . 19791 1 1036 . 1 1 96 96 VAL CA C 13 66.018 0.049 . 1 . . . A 96 VAL CA . 19791 1 1037 . 1 1 96 96 VAL CB C 13 32.273 0.046 . 1 . . . A 96 VAL CB . 19791 1 1038 . 1 1 96 96 VAL CG1 C 13 22.234 0.001 . 2 . . . A 96 VAL CG1 . 19791 1 1039 . 1 1 96 96 VAL CG2 C 13 21.218 0.002 . 2 . . . A 96 VAL CG2 . 19791 1 1040 . 1 1 96 96 VAL N N 15 121.776 0.067 . 1 . . . A 96 VAL N . 19791 1 1041 . 1 1 97 97 MET H H 1 7.324 0.007 . 1 . . . A 97 MET H . 19791 1 1042 . 1 1 97 97 MET HA H 1 2.353 0.004 . 1 . . . A 97 MET HA . 19791 1 1043 . 1 1 97 97 MET HB2 H 1 1.109 0.001 . 2 . . . A 97 MET HB2 . 19791 1 1044 . 1 1 97 97 MET HB3 H 1 1.919 0.000 . 2 . . . A 97 MET HB3 . 19791 1 1045 . 1 1 97 97 MET HG2 H 1 1.919 0.000 . 2 . . . A 97 MET HG2 . 19791 1 1046 . 1 1 97 97 MET HG3 H 1 1.539 0.001 . 2 . . . A 97 MET HG3 . 19791 1 1047 . 1 1 97 97 MET HE1 H 1 2.102 0.010 . 1 . . . A 97 MET HE1 . 19791 1 1048 . 1 1 97 97 MET HE2 H 1 2.102 0.010 . 1 . . . A 97 MET HE2 . 19791 1 1049 . 1 1 97 97 MET HE3 H 1 2.102 0.010 . 1 . . . A 97 MET HE3 . 19791 1 1050 . 1 1 97 97 MET CA C 13 59.703 0.005 . 1 . . . A 97 MET CA . 19791 1 1051 . 1 1 97 97 MET CB C 13 32.302 0.003 . 1 . . . A 97 MET CB . 19791 1 1052 . 1 1 97 97 MET CG C 13 32.502 0.000 . 1 . . . A 97 MET CG . 19791 1 1053 . 1 1 97 97 MET CE C 13 19.173 0.066 . 1 . . . A 97 MET CE . 19791 1 1054 . 1 1 97 97 MET N N 15 117.500 0.069 . 1 . . . A 97 MET N . 19791 1 1055 . 1 1 98 98 ASP H H 1 8.705 0.006 . 1 . . . A 98 ASP H . 19791 1 1056 . 1 1 98 98 ASP HA H 1 4.281 0.011 . 1 . . . A 98 ASP HA . 19791 1 1057 . 1 1 98 98 ASP HB2 H 1 2.548 0.006 . 2 . . . A 98 ASP HB2 . 19791 1 1058 . 1 1 98 98 ASP HB3 H 1 2.711 0.005 . 2 . . . A 98 ASP HB3 . 19791 1 1059 . 1 1 98 98 ASP CA C 13 57.434 0.045 . 1 . . . A 98 ASP CA . 19791 1 1060 . 1 1 98 98 ASP CB C 13 39.964 0.059 . 1 . . . A 98 ASP CB . 19791 1 1061 . 1 1 98 98 ASP N N 15 118.161 0.063 . 1 . . . A 98 ASP N . 19791 1 1062 . 1 1 99 99 ASN H H 1 8.094 0.004 . 1 . . . A 99 ASN H . 19791 1 1063 . 1 1 99 99 ASN HA H 1 4.451 0.007 . 1 . . . A 99 ASN HA . 19791 1 1064 . 1 1 99 99 ASN HB2 H 1 2.762 0.020 . 2 . . . A 99 ASN HB2 . 19791 1 1065 . 1 1 99 99 ASN HB3 H 1 3.026 0.007 . 2 . . . A 99 ASN HB3 . 19791 1 1066 . 1 1 99 99 ASN CA C 13 55.838 0.001 . 1 . . . A 99 ASN CA . 19791 1 1067 . 1 1 99 99 ASN CB C 13 38.401 0.049 . 1 . . . A 99 ASN CB . 19791 1 1068 . 1 1 99 99 ASN N N 15 120.218 0.064 . 1 . . . A 99 ASN N . 19791 1 1069 . 1 1 100 100 ILE H H 1 8.035 0.007 . 1 . . . A 100 ILE H . 19791 1 1070 . 1 1 100 100 ILE HA H 1 3.635 0.007 . 1 . . . A 100 ILE HA . 19791 1 1071 . 1 1 100 100 ILE HB H 1 1.901 0.007 . 1 . . . A 100 ILE HB . 19791 1 1072 . 1 1 100 100 ILE HG12 H 1 1.283 0.004 . 2 . . . A 100 ILE HG12 . 19791 1 1073 . 1 1 100 100 ILE HG13 H 1 1.548 0.006 . 2 . . . A 100 ILE HG13 . 19791 1 1074 . 1 1 100 100 ILE HG21 H 1 0.700 0.005 . 1 . . . A 100 ILE HG21 . 19791 1 1075 . 1 1 100 100 ILE HG22 H 1 0.700 0.005 . 1 . . . A 100 ILE HG22 . 19791 1 1076 . 1 1 100 100 ILE HG23 H 1 0.700 0.005 . 1 . . . A 100 ILE HG23 . 19791 1 1077 . 1 1 100 100 ILE HD11 H 1 0.534 0.010 . 1 . . . A 100 ILE HD11 . 19791 1 1078 . 1 1 100 100 ILE HD12 H 1 0.534 0.010 . 1 . . . A 100 ILE HD12 . 19791 1 1079 . 1 1 100 100 ILE HD13 H 1 0.534 0.010 . 1 . . . A 100 ILE HD13 . 19791 1 1080 . 1 1 100 100 ILE CA C 13 62.888 0.016 . 1 . . . A 100 ILE CA . 19791 1 1081 . 1 1 100 100 ILE CB C 13 35.731 0.016 . 1 . . . A 100 ILE CB . 19791 1 1082 . 1 1 100 100 ILE CG1 C 13 28.503 0.011 . 1 . . . A 100 ILE CG1 . 19791 1 1083 . 1 1 100 100 ILE CG2 C 13 17.000 0.001 . 1 . . . A 100 ILE CG2 . 19791 1 1084 . 1 1 100 100 ILE CD1 C 13 9.796 0.001 . 1 . . . A 100 ILE CD1 . 19791 1 1085 . 1 1 100 100 ILE N N 15 121.139 0.067 . 1 . . . A 100 ILE N . 19791 1 1086 . 1 1 101 101 LYS H H 1 8.911 0.005 . 1 . . . A 101 LYS H . 19791 1 1087 . 1 1 101 101 LYS HA H 1 3.642 0.008 . 1 . . . A 101 LYS HA . 19791 1 1088 . 1 1 101 101 LYS HB2 H 1 1.846 0.003 . 2 . . . A 101 LYS HB2 . 19791 1 1089 . 1 1 101 101 LYS HB3 H 1 2.052 0.010 . 2 . . . A 101 LYS HB3 . 19791 1 1090 . 1 1 101 101 LYS HG2 H 1 1.284 0.008 . 2 . . . A 101 LYS HG2 . 19791 1 1091 . 1 1 101 101 LYS HG3 H 1 1.350 0.001 . 2 . . . A 101 LYS HG3 . 19791 1 1092 . 1 1 101 101 LYS HD2 H 1 1.523 0.001 . 2 . . . A 101 LYS HD2 . 19791 1 1093 . 1 1 101 101 LYS HD3 H 1 1.622 0.004 . 2 . . . A 101 LYS HD3 . 19791 1 1094 . 1 1 101 101 LYS HE2 H 1 2.866 0.002 . 2 . . . A 101 LYS HE2 . 19791 1 1095 . 1 1 101 101 LYS HE3 H 1 2.866 0.001 . 2 . . . A 101 LYS HE3 . 19791 1 1096 . 1 1 101 101 LYS CA C 13 60.381 0.016 . 1 . . . A 101 LYS CA . 19791 1 1097 . 1 1 101 101 LYS CB C 13 32.801 0.037 . 1 . . . A 101 LYS CB . 19791 1 1098 . 1 1 101 101 LYS CG C 13 24.215 0.041 . 1 . . . A 101 LYS CG . 19791 1 1099 . 1 1 101 101 LYS CD C 13 29.513 0.015 . 1 . . . A 101 LYS CD . 19791 1 1100 . 1 1 101 101 LYS CE C 13 41.524 0.039 . 1 . . . A 101 LYS CE . 19791 1 1101 . 1 1 101 101 LYS N N 15 120.778 0.067 . 1 . . . A 101 LYS N . 19791 1 1102 . 1 1 102 102 MET H H 1 8.043 0.005 . 1 . . . A 102 MET H . 19791 1 1103 . 1 1 102 102 MET HA H 1 4.183 0.009 . 1 . . . A 102 MET HA . 19791 1 1104 . 1 1 102 102 MET HB2 H 1 2.147 0.006 . 2 . . . A 102 MET HB2 . 19791 1 1105 . 1 1 102 102 MET HB3 H 1 2.246 0.012 . 2 . . . A 102 MET HB3 . 19791 1 1106 . 1 1 102 102 MET HG2 H 1 2.707 0.006 . 2 . . . A 102 MET HG2 . 19791 1 1107 . 1 1 102 102 MET HG3 H 1 2.630 0.009 . 2 . . . A 102 MET HG3 . 19791 1 1108 . 1 1 102 102 MET HE1 H 1 2.096 0.000 . 1 . . . A 102 MET HE1 . 19791 1 1109 . 1 1 102 102 MET HE2 H 1 2.096 0.000 . 1 . . . A 102 MET HE2 . 19791 1 1110 . 1 1 102 102 MET HE3 H 1 2.096 0.000 . 1 . . . A 102 MET HE3 . 19791 1 1111 . 1 1 102 102 MET CA C 13 58.598 0.000 . 1 . . . A 102 MET CA . 19791 1 1112 . 1 1 102 102 MET CB C 13 32.203 0.000 . 1 . . . A 102 MET CB . 19791 1 1113 . 1 1 102 102 MET CG C 13 31.897 0.000 . 1 . . . A 102 MET CG . 19791 1 1114 . 1 1 102 102 MET CE C 13 17.071 0.102 . 1 . . . A 102 MET CE . 19791 1 1115 . 1 1 102 102 MET N N 15 116.806 0.067 . 1 . . . A 102 MET N . 19791 1 1116 . 1 1 103 103 THR H H 1 7.683 0.010 . 1 . . . A 103 THR H . 19791 1 1117 . 1 1 103 103 THR HA H 1 3.851 0.007 . 1 . . . A 103 THR HA . 19791 1 1118 . 1 1 103 103 THR HB H 1 3.981 0.040 . 1 . . . A 103 THR HB . 19791 1 1119 . 1 1 103 103 THR HG21 H 1 0.778 0.010 . 1 . . . A 103 THR HG21 . 19791 1 1120 . 1 1 103 103 THR HG22 H 1 0.778 0.010 . 1 . . . A 103 THR HG22 . 19791 1 1121 . 1 1 103 103 THR HG23 H 1 0.778 0.010 . 1 . . . A 103 THR HG23 . 19791 1 1122 . 1 1 103 103 THR CA C 13 66.460 0.001 . 1 . . . A 103 THR CA . 19791 1 1123 . 1 1 103 103 THR CB C 13 68.233 0.140 . 1 . . . A 103 THR CB . 19791 1 1124 . 1 1 103 103 THR CG2 C 13 22.422 0.109 . 1 . . . A 103 THR CG2 . 19791 1 1125 . 1 1 103 103 THR N N 15 117.934 0.000 . 1 . . . A 103 THR N . 19791 1 1126 . 1 1 104 104 LEU H H 1 8.542 0.008 . 1 . . . A 104 LEU H . 19791 1 1127 . 1 1 104 104 LEU HA H 1 3.872 0.000 . 1 . . . A 104 LEU HA . 19791 1 1128 . 1 1 104 104 LEU HB2 H 1 2.105 0.007 . 2 . . . A 104 LEU HB2 . 19791 1 1129 . 1 1 104 104 LEU HB3 H 1 1.127 0.008 . 2 . . . A 104 LEU HB3 . 19791 1 1130 . 1 1 104 104 LEU HG H 1 1.894 0.008 . 1 . . . A 104 LEU HG . 19791 1 1131 . 1 1 104 104 LEU HD11 H 1 0.720 0.007 . 2 . . . A 104 LEU HD11 . 19791 1 1132 . 1 1 104 104 LEU HD12 H 1 0.720 0.007 . 2 . . . A 104 LEU HD12 . 19791 1 1133 . 1 1 104 104 LEU HD13 H 1 0.720 0.007 . 2 . . . A 104 LEU HD13 . 19791 1 1134 . 1 1 104 104 LEU HD21 H 1 0.796 0.005 . 2 . . . A 104 LEU HD21 . 19791 1 1135 . 1 1 104 104 LEU HD22 H 1 0.796 0.005 . 2 . . . A 104 LEU HD22 . 19791 1 1136 . 1 1 104 104 LEU HD23 H 1 0.796 0.005 . 2 . . . A 104 LEU HD23 . 19791 1 1137 . 1 1 104 104 LEU CA C 13 58.007 0.021 . 1 . . . A 104 LEU CA . 19791 1 1138 . 1 1 104 104 LEU CB C 13 42.997 0.042 . 1 . . . A 104 LEU CB . 19791 1 1139 . 1 1 104 104 LEU CG C 13 26.406 0.000 . 1 . . . A 104 LEU CG . 19791 1 1140 . 1 1 104 104 LEU CD1 C 13 26.914 0.000 . 2 . . . A 104 LEU CD1 . 19791 1 1141 . 1 1 104 104 LEU CD2 C 13 24.781 0.000 . 2 . . . A 104 LEU CD2 . 19791 1 1142 . 1 1 104 104 LEU N N 15 119.371 0.011 . 1 . . . A 104 LEU N . 19791 1 1143 . 1 1 105 105 GLN H H 1 8.726 0.002 . 1 . . . A 105 GLN H . 19791 1 1144 . 1 1 105 105 GLN HA H 1 3.907 0.009 . 1 . . . A 105 GLN HA . 19791 1 1145 . 1 1 105 105 GLN HB2 H 1 2.121 0.014 . 2 . . . A 105 GLN HB2 . 19791 1 1146 . 1 1 105 105 GLN HB3 H 1 2.260 0.007 . 2 . . . A 105 GLN HB3 . 19791 1 1147 . 1 1 105 105 GLN HG2 H 1 2.382 0.001 . 2 . . . A 105 GLN HG2 . 19791 1 1148 . 1 1 105 105 GLN HG3 H 1 2.464 0.004 . 2 . . . A 105 GLN HG3 . 19791 1 1149 . 1 1 105 105 GLN CA C 13 59.305 0.000 . 1 . . . A 105 GLN CA . 19791 1 1150 . 1 1 105 105 GLN CB C 13 28.375 0.001 . 1 . . . A 105 GLN CB . 19791 1 1151 . 1 1 105 105 GLN CG C 13 34.265 0.000 . 1 . . . A 105 GLN CG . 19791 1 1152 . 1 1 105 105 GLN N N 15 118.153 0.066 . 1 . . . A 105 GLN N . 19791 1 1153 . 1 1 106 106 GLN H H 1 7.588 0.006 . 1 . . . A 106 GLN H . 19791 1 1154 . 1 1 106 106 GLN HA H 1 4.052 0.008 . 1 . . . A 106 GLN HA . 19791 1 1155 . 1 1 106 106 GLN HB2 H 1 2.176 0.007 . 2 . . . A 106 GLN HB2 . 19791 1 1156 . 1 1 106 106 GLN HB3 H 1 2.314 0.008 . 2 . . . A 106 GLN HB3 . 19791 1 1157 . 1 1 106 106 GLN HG2 H 1 2.407 0.002 . 2 . . . A 106 GLN HG2 . 19791 1 1158 . 1 1 106 106 GLN HG3 H 1 2.594 0.003 . 2 . . . A 106 GLN HG3 . 19791 1 1159 . 1 1 106 106 GLN CA C 13 58.747 0.061 . 1 . . . A 106 GLN CA . 19791 1 1160 . 1 1 106 106 GLN CB C 13 28.417 0.074 . 1 . . . A 106 GLN CB . 19791 1 1161 . 1 1 106 106 GLN CG C 13 34.061 0.006 . 1 . . . A 106 GLN CG . 19791 1 1162 . 1 1 106 106 GLN N N 15 118.162 0.064 . 1 . . . A 106 GLN N . 19791 1 1163 . 1 1 107 107 ILE H H 1 7.816 0.005 . 1 . . . A 107 ILE H . 19791 1 1164 . 1 1 107 107 ILE HA H 1 3.461 0.007 . 1 . . . A 107 ILE HA . 19791 1 1165 . 1 1 107 107 ILE HB H 1 1.672 0.004 . 1 . . . A 107 ILE HB . 19791 1 1166 . 1 1 107 107 ILE HG12 H 1 1.914 0.011 . 2 . . . A 107 ILE HG12 . 19791 1 1167 . 1 1 107 107 ILE HG13 H 1 0.903 0.005 . 2 . . . A 107 ILE HG13 . 19791 1 1168 . 1 1 107 107 ILE HG21 H 1 0.835 0.008 . 1 . . . A 107 ILE HG21 . 19791 1 1169 . 1 1 107 107 ILE HG22 H 1 0.835 0.008 . 1 . . . A 107 ILE HG22 . 19791 1 1170 . 1 1 107 107 ILE HG23 H 1 0.835 0.008 . 1 . . . A 107 ILE HG23 . 19791 1 1171 . 1 1 107 107 ILE HD11 H 1 0.635 0.004 . 1 . . . A 107 ILE HD11 . 19791 1 1172 . 1 1 107 107 ILE HD12 H 1 0.635 0.004 . 1 . . . A 107 ILE HD12 . 19791 1 1173 . 1 1 107 107 ILE HD13 H 1 0.635 0.004 . 1 . . . A 107 ILE HD13 . 19791 1 1174 . 1 1 107 107 ILE CA C 13 65.536 0.021 . 1 . . . A 107 ILE CA . 19791 1 1175 . 1 1 107 107 ILE CB C 13 39.172 0.020 . 1 . . . A 107 ILE CB . 19791 1 1176 . 1 1 107 107 ILE CG1 C 13 28.882 0.002 . 1 . . . A 107 ILE CG1 . 19791 1 1177 . 1 1 107 107 ILE CG2 C 13 18.784 0.005 . 1 . . . A 107 ILE CG2 . 19791 1 1178 . 1 1 107 107 ILE CD1 C 13 15.985 0.000 . 1 . . . A 107 ILE CD1 . 19791 1 1179 . 1 1 107 107 ILE N N 15 120.255 0.000 . 1 . . . A 107 ILE N . 19791 1 1180 . 1 1 108 108 ILE H H 1 8.727 0.005 . 1 . . . A 108 ILE H . 19791 1 1181 . 1 1 108 108 ILE HA H 1 3.789 0.008 . 1 . . . A 108 ILE HA . 19791 1 1182 . 1 1 108 108 ILE HB H 1 1.859 0.006 . 1 . . . A 108 ILE HB . 19791 1 1183 . 1 1 108 108 ILE HG12 H 1 1.690 0.005 . 2 . . . A 108 ILE HG12 . 19791 1 1184 . 1 1 108 108 ILE HG13 H 1 1.226 0.007 . 2 . . . A 108 ILE HG13 . 19791 1 1185 . 1 1 108 108 ILE HG21 H 1 0.917 0.008 . 1 . . . A 108 ILE HG21 . 19791 1 1186 . 1 1 108 108 ILE HG22 H 1 0.917 0.008 . 1 . . . A 108 ILE HG22 . 19791 1 1187 . 1 1 108 108 ILE HG23 H 1 0.917 0.008 . 1 . . . A 108 ILE HG23 . 19791 1 1188 . 1 1 108 108 ILE HD11 H 1 0.748 0.007 . 1 . . . A 108 ILE HD11 . 19791 1 1189 . 1 1 108 108 ILE HD12 H 1 0.748 0.007 . 1 . . . A 108 ILE HD12 . 19791 1 1190 . 1 1 108 108 ILE HD13 H 1 0.748 0.007 . 1 . . . A 108 ILE HD13 . 19791 1 1191 . 1 1 108 108 ILE CA C 13 65.619 0.099 . 1 . . . A 108 ILE CA . 19791 1 1192 . 1 1 108 108 ILE CB C 13 38.319 0.048 . 1 . . . A 108 ILE CB . 19791 1 1193 . 1 1 108 108 ILE CG1 C 13 29.187 0.001 . 1 . . . A 108 ILE CG1 . 19791 1 1194 . 1 1 108 108 ILE CG2 C 13 17.408 0.003 . 1 . . . A 108 ILE CG2 . 19791 1 1195 . 1 1 108 108 ILE CD1 C 13 15.478 0.002 . 1 . . . A 108 ILE CD1 . 19791 1 1196 . 1 1 108 108 ILE N N 15 117.519 0.066 . 1 . . . A 108 ILE N . 19791 1 1197 . 1 1 109 109 SER H H 1 7.836 0.006 . 1 . . . A 109 SER H . 19791 1 1198 . 1 1 109 109 SER HA H 1 4.204 0.007 . 1 . . . A 109 SER HA . 19791 1 1199 . 1 1 109 109 SER HB2 H 1 4.003 0.006 . 1 . . . A 109 SER HB2 . 19791 1 1200 . 1 1 109 109 SER HB3 H 1 4.003 0.006 . 1 . . . A 109 SER HB3 . 19791 1 1201 . 1 1 109 109 SER CA C 13 61.715 0.082 . 1 . . . A 109 SER CA . 19791 1 1202 . 1 1 109 109 SER CB C 13 62.696 0.005 . 1 . . . A 109 SER CB . 19791 1 1203 . 1 1 109 109 SER N N 15 114.275 0.065 . 1 . . . A 109 SER N . 19791 1 1204 . 1 1 110 110 ARG H H 1 7.552 0.006 . 1 . . . A 110 ARG H . 19791 1 1205 . 1 1 110 110 ARG HA H 1 4.114 0.007 . 1 . . . A 110 ARG HA . 19791 1 1206 . 1 1 110 110 ARG HB2 H 1 1.668 0.005 . 1 . . . A 110 ARG HB2 . 19791 1 1207 . 1 1 110 110 ARG HB3 H 1 1.668 0.005 . 1 . . . A 110 ARG HB3 . 19791 1 1208 . 1 1 110 110 ARG HG2 H 1 1.521 0.005 . 2 . . . A 110 ARG HG2 . 19791 1 1209 . 1 1 110 110 ARG HG3 H 1 1.668 0.005 . 2 . . . A 110 ARG HG3 . 19791 1 1210 . 1 1 110 110 ARG HD2 H 1 3.149 0.006 . 2 . . . A 110 ARG HD2 . 19791 1 1211 . 1 1 110 110 ARG HD3 H 1 2.998 0.001 . 2 . . . A 110 ARG HD3 . 19791 1 1212 . 1 1 110 110 ARG CA C 13 58.274 0.000 . 1 . . . A 110 ARG CA . 19791 1 1213 . 1 1 110 110 ARG CB C 13 29.794 0.006 . 1 . . . A 110 ARG CB . 19791 1 1214 . 1 1 110 110 ARG CG C 13 27.068 0.030 . 1 . . . A 110 ARG CG . 19791 1 1215 . 1 1 110 110 ARG CD C 13 43.963 0.003 . 1 . . . A 110 ARG CD . 19791 1 1216 . 1 1 110 110 ARG N N 15 121.119 0.000 . 1 . . . A 110 ARG N . 19791 1 1217 . 1 1 111 111 TYR H H 1 7.455 0.005 . 1 . . . A 111 TYR H . 19791 1 1218 . 1 1 111 111 TYR HA H 1 4.771 0.011 . 1 . . . A 111 TYR HA . 19791 1 1219 . 1 1 111 111 TYR HB2 H 1 3.057 0.009 . 2 . . . A 111 TYR HB2 . 19791 1 1220 . 1 1 111 111 TYR HB3 H 1 3.402 0.012 . 2 . . . A 111 TYR HB3 . 19791 1 1221 . 1 1 111 111 TYR HD1 H 1 7.097 0.001 . 3 . . . A 111 TYR HD1 . 19791 1 1222 . 1 1 111 111 TYR HD2 H 1 7.097 0.001 . 3 . . . A 111 TYR HD2 . 19791 1 1223 . 1 1 111 111 TYR HE1 H 1 6.722 0.001 . 3 . . . A 111 TYR HE1 . 19791 1 1224 . 1 1 111 111 TYR HE2 H 1 6.722 0.001 . 3 . . . A 111 TYR HE2 . 19791 1 1225 . 1 1 111 111 TYR CA C 13 57.679 0.014 . 1 . . . A 111 TYR CA . 19791 1 1226 . 1 1 111 111 TYR CB C 13 37.584 0.023 . 1 . . . A 111 TYR CB . 19791 1 1227 . 1 1 111 111 TYR CD1 C 13 131.869 0.000 . 3 . . . A 111 TYR CD1 . 19791 1 1228 . 1 1 111 111 TYR CD2 C 13 131.869 0.000 . 3 . . . A 111 TYR CD2 . 19791 1 1229 . 1 1 111 111 TYR CE1 C 13 117.766 0.000 . 3 . . . A 111 TYR CE1 . 19791 1 1230 . 1 1 111 111 TYR CE2 C 13 117.766 0.000 . 3 . . . A 111 TYR CE2 . 19791 1 1231 . 1 1 111 111 TYR N N 15 117.159 0.065 . 1 . . . A 111 TYR N . 19791 1 1232 . 1 1 112 112 LYS H H 1 7.767 0.003 . 1 . . . A 112 LYS H . 19791 1 1233 . 1 1 112 112 LYS HA H 1 4.350 0.008 . 1 . . . A 112 LYS HA . 19791 1 1234 . 1 1 112 112 LYS HB2 H 1 1.951 0.007 . 1 . . . A 112 LYS HB2 . 19791 1 1235 . 1 1 112 112 LYS HB3 H 1 1.951 0.007 . 1 . . . A 112 LYS HB3 . 19791 1 1236 . 1 1 112 112 LYS HG2 H 1 1.579 0.003 . 2 . . . A 112 LYS HG2 . 19791 1 1237 . 1 1 112 112 LYS HG3 H 1 1.666 0.004 . 2 . . . A 112 LYS HG3 . 19791 1 1238 . 1 1 112 112 LYS HD2 H 1 1.801 0.000 . 1 . . . A 112 LYS HD2 . 19791 1 1239 . 1 1 112 112 LYS HD3 H 1 1.801 0.000 . 1 . . . A 112 LYS HD3 . 19791 1 1240 . 1 1 112 112 LYS HE3 H 1 3.096 0.000 . 1 . . . A 112 LYS HE3 . 19791 1 1241 . 1 1 112 112 LYS CA C 13 57.422 0.046 . 1 . . . A 112 LYS CA . 19791 1 1242 . 1 1 112 112 LYS CB C 13 32.969 0.201 . 1 . . . A 112 LYS CB . 19791 1 1243 . 1 1 112 112 LYS CG C 13 24.531 0.045 . 1 . . . A 112 LYS CG . 19791 1 1244 . 1 1 112 112 LYS CD C 13 28.907 0.052 . 1 . . . A 112 LYS CD . 19791 1 1245 . 1 1 112 112 LYS CE C 13 42.048 0.032 . 1 . . . A 112 LYS CE . 19791 1 1246 . 1 1 112 112 LYS N N 15 121.022 0.066 . 1 . . . A 112 LYS N . 19791 1 1247 . 1 1 113 113 ASP H H 1 8.284 0.005 . 1 . . . A 113 ASP H . 19791 1 1248 . 1 1 113 113 ASP HA H 1 4.622 0.003 . 1 . . . A 113 ASP HA . 19791 1 1249 . 1 1 113 113 ASP HB2 H 1 2.706 0.016 . 2 . . . A 113 ASP HB2 . 19791 1 1250 . 1 1 113 113 ASP HB3 H 1 2.774 0.009 . 2 . . . A 113 ASP HB3 . 19791 1 1251 . 1 1 113 113 ASP CA C 13 54.316 0.001 . 1 . . . A 113 ASP CA . 19791 1 1252 . 1 1 113 113 ASP CB C 13 41.040 0.035 . 1 . . . A 113 ASP CB . 19791 1 1253 . 1 1 113 113 ASP N N 15 120.691 0.066 . 1 . . . A 113 ASP N . 19791 1 1254 . 1 1 114 114 ALA H H 1 8.025 0.006 . 1 . . . A 114 ALA H . 19791 1 1255 . 1 1 114 114 ALA HA H 1 4.341 0.005 . 1 . . . A 114 ALA HA . 19791 1 1256 . 1 1 114 114 ALA HB1 H 1 1.483 0.006 . 1 . . . A 114 ALA HB1 . 19791 1 1257 . 1 1 114 114 ALA HB2 H 1 1.483 0.006 . 1 . . . A 114 ALA HB2 . 19791 1 1258 . 1 1 114 114 ALA HB3 H 1 1.483 0.006 . 1 . . . A 114 ALA HB3 . 19791 1 1259 . 1 1 114 114 ALA CA C 13 52.958 0.091 . 1 . . . A 114 ALA CA . 19791 1 1260 . 1 1 114 114 ALA CB C 13 18.898 0.000 . 1 . . . A 114 ALA CB . 19791 1 1261 . 1 1 114 114 ALA N N 15 123.637 0.004 . 1 . . . A 114 ALA N . 19791 1 1262 . 1 1 115 115 ASP H H 1 8.228 0.005 . 1 . . . A 115 ASP H . 19791 1 1263 . 1 1 115 115 ASP HA H 1 4.618 0.001 . 1 . . . A 115 ASP HA . 19791 1 1264 . 1 1 115 115 ASP HB2 H 1 2.729 0.000 . 1 . . . A 115 ASP HB2 . 19791 1 1265 . 1 1 115 115 ASP HB3 H 1 2.729 0.000 . 1 . . . A 115 ASP HB3 . 19791 1 1266 . 1 1 115 115 ASP CA C 13 54.689 0.031 . 1 . . . A 115 ASP CA . 19791 1 1267 . 1 1 115 115 ASP CB C 13 41.266 0.089 . 1 . . . A 115 ASP CB . 19791 1 1268 . 1 1 115 115 ASP N N 15 119.301 0.066 . 1 . . . A 115 ASP N . 19791 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19791 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 19791 2 4 '2D 1H-13C HSQC' . . . 19791 2 9 '2D 1H-13C HSQC aromatic' . . . 19791 2 14 '3D HNCO' . . . 19791 2 16 '3D HNCACB' . . . 19791 2 18 '3D HCCH-TOCSY' . . . 19791 2 20 '3D H(CCO)NH' . . . 19791 2 22 '3D HCCH-COSY' . . . 19791 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 ASP HA H 1 4.552 0.006 . 1 . . . B 453 ASP HA . 19791 2 2 . 2 2 1 1 ASP HB2 H 1 2.612 0.005 . 2 . . . B 453 ASP HB2 . 19791 2 3 . 2 2 1 1 ASP HB3 H 1 2.717 0.001 . 2 . . . B 453 ASP HB3 . 19791 2 4 . 2 2 1 1 ASP H H 1 8.081 0.004 . 1 . . . B 453 ASP H1 . 19791 2 5 . 2 2 1 1 ASP C C 13 177.981 0.000 . 1 . . . B 453 ASP C . 19791 2 6 . 2 2 1 1 ASP CA C 13 54.500 0.000 . 1 . . . B 453 ASP CA . 19791 2 7 . 2 2 1 1 ASP CB C 13 41.000 0.000 . 1 . . . B 453 ASP CB . 19791 2 8 . 2 2 1 1 ASP N N 15 118.476 0.052 . 1 . . . B 453 ASP N . 19791 2 9 . 2 2 2 2 LEU H H 1 7.853 0.004 . 1 . . . B 454 LEU H . 19791 2 10 . 2 2 2 2 LEU HA H 1 4.261 0.004 . 1 . . . B 454 LEU HA . 19791 2 11 . 2 2 2 2 LEU HB2 H 1 1.573 0.005 . 2 . . . B 454 LEU HB2 . 19791 2 12 . 2 2 2 2 LEU HB3 H 1 1.648 0.001 . 2 . . . B 454 LEU HB3 . 19791 2 13 . 2 2 2 2 LEU HG H 1 1.575 0.003 . 1 . . . B 454 LEU HG . 19791 2 14 . 2 2 2 2 LEU HD11 H 1 0.849 0.002 . 2 . . . B 454 LEU HD11 . 19791 2 15 . 2 2 2 2 LEU HD12 H 1 0.849 0.002 . 2 . . . B 454 LEU HD12 . 19791 2 16 . 2 2 2 2 LEU HD13 H 1 0.849 0.002 . 2 . . . B 454 LEU HD13 . 19791 2 17 . 2 2 2 2 LEU HD21 H 1 0.787 0.001 . 2 . . . B 454 LEU HD21 . 19791 2 18 . 2 2 2 2 LEU HD22 H 1 0.787 0.001 . 2 . . . B 454 LEU HD22 . 19791 2 19 . 2 2 2 2 LEU HD23 H 1 0.787 0.001 . 2 . . . B 454 LEU HD23 . 19791 2 20 . 2 2 2 2 LEU C C 13 176.422 0.000 . 1 . . . B 454 LEU C . 19791 2 21 . 2 2 2 2 LEU CA C 13 55.300 0.000 . 1 . . . B 454 LEU CA . 19791 2 22 . 2 2 2 2 LEU CB C 13 41.950 0.000 . 1 . . . B 454 LEU CB . 19791 2 23 . 2 2 2 2 LEU CG C 13 27.017 0.000 . 1 . . . B 454 LEU CG . 19791 2 24 . 2 2 2 2 LEU CD1 C 13 25.376 0.020 . 2 . . . B 454 LEU CD1 . 19791 2 25 . 2 2 2 2 LEU CD2 C 13 23.636 0.000 . 2 . . . B 454 LEU CD2 . 19791 2 26 . 2 2 2 2 LEU N N 15 121.684 0.047 . 1 . . . B 454 LEU N . 19791 2 27 . 2 2 3 3 ASP H H 1 8.210 0.003 . 1 . . . B 455 ASP H . 19791 2 28 . 2 2 3 3 ASP HA H 1 4.518 0.004 . 1 . . . B 455 ASP HA . 19791 2 29 . 2 2 3 3 ASP HB2 H 1 2.640 0.004 . 1 . . . B 455 ASP HB2 . 19791 2 30 . 2 2 3 3 ASP HB3 H 1 2.640 0.004 . 1 . . . B 455 ASP HB3 . 19791 2 31 . 2 2 3 3 ASP C C 13 177.329 0.000 . 1 . . . B 455 ASP C . 19791 2 32 . 2 2 3 3 ASP CA C 13 55.217 0.000 . 1 . . . B 455 ASP CA . 19791 2 33 . 2 2 3 3 ASP CB C 13 41.183 0.000 . 1 . . . B 455 ASP CB . 19791 2 34 . 2 2 3 3 ASP N N 15 121.129 0.045 . 1 . . . B 455 ASP N . 19791 2 35 . 2 2 4 4 GLU H H 1 8.410 0.006 . 1 . . . B 456 GLU H . 19791 2 36 . 2 2 4 4 GLU HA H 1 4.196 0.002 . 1 . . . B 456 GLU HA . 19791 2 37 . 2 2 4 4 GLU HB2 H 1 1.884 0.006 . 2 . . . B 456 GLU HB2 . 19791 2 38 . 2 2 4 4 GLU HB3 H 1 1.995 0.006 . 2 . . . B 456 GLU HB3 . 19791 2 39 . 2 2 4 4 GLU HG2 H 1 2.180 0.003 . 1 . . . B 456 GLU HG2 . 19791 2 40 . 2 2 4 4 GLU HG3 H 1 2.180 0.003 . 1 . . . B 456 GLU HG3 . 19791 2 41 . 2 2 4 4 GLU C C 13 176.880 0.000 . 1 . . . B 456 GLU C . 19791 2 42 . 2 2 4 4 GLU CA C 13 57.200 0.000 . 1 . . . B 456 GLU CA . 19791 2 43 . 2 2 4 4 GLU CB C 13 30.106 0.000 . 1 . . . B 456 GLU CB . 19791 2 44 . 2 2 4 4 GLU CG C 13 36.167 0.000 . 1 . . . B 456 GLU CG . 19791 2 45 . 2 2 4 4 GLU N N 15 121.013 0.046 . 1 . . . B 456 GLU N . 19791 2 46 . 2 2 5 5 SER H H 1 8.176 0.007 . 1 . . . B 457 SER H . 19791 2 47 . 2 2 5 5 SER HA H 1 4.252 0.004 . 1 . . . B 457 SER HA . 19791 2 48 . 2 2 5 5 SER HB2 H 1 3.749 0.002 . 1 . . . B 457 SER HB2 . 19791 2 49 . 2 2 5 5 SER HB3 H 1 3.749 0.002 . 1 . . . B 457 SER HB3 . 19791 2 50 . 2 2 5 5 SER C C 13 177.046 0.000 . 1 . . . B 457 SER C . 19791 2 51 . 2 2 5 5 SER CA C 13 59.437 0.000 . 1 . . . B 457 SER CA . 19791 2 52 . 2 2 5 5 SER CB C 13 63.400 0.000 . 1 . . . B 457 SER CB . 19791 2 53 . 2 2 5 5 SER N N 15 116.183 0.058 . 1 . . . B 457 SER N . 19791 2 54 . 2 2 6 6 TRP H H 1 7.969 0.012 . 1 . . . B 458 TRP H . 19791 2 55 . 2 2 6 6 TRP HA H 1 4.593 0.009 . 1 . . . B 458 TRP HA . 19791 2 56 . 2 2 6 6 TRP HB2 H 1 3.371 0.005 . 2 . . . B 458 TRP HB2 . 19791 2 57 . 2 2 6 6 TRP HB3 H 1 3.105 0.006 . 2 . . . B 458 TRP HB3 . 19791 2 58 . 2 2 6 6 TRP HD1 H 1 7.186 0.003 . 1 . . . B 458 TRP HD1 . 19791 2 59 . 2 2 6 6 TRP HE3 H 1 7.394 0.004 . 1 . . . B 458 TRP HE3 . 19791 2 60 . 2 2 6 6 TRP HZ2 H 1 7.370 0.002 . 1 . . . B 458 TRP HZ2 . 19791 2 61 . 2 2 6 6 TRP HZ3 H 1 6.947 0.010 . 1 . . . B 458 TRP HZ3 . 19791 2 62 . 2 2 6 6 TRP HH2 H 1 7.074 0.004 . 1 . . . B 458 TRP HH2 . 19791 2 63 . 2 2 6 6 TRP C C 13 174.996 0.000 . 1 . . . B 458 TRP C . 19791 2 64 . 2 2 6 6 TRP CA C 13 57.362 0.000 . 1 . . . B 458 TRP CA . 19791 2 65 . 2 2 6 6 TRP CB C 13 30.117 0.000 . 1 . . . B 458 TRP CB . 19791 2 66 . 2 2 6 6 TRP CD1 C 13 127.437 0.000 . 1 . . . B 458 TRP CD1 . 19791 2 67 . 2 2 6 6 TRP CE3 C 13 120.617 0.000 . 1 . . . B 458 TRP CE3 . 19791 2 68 . 2 2 6 6 TRP CZ2 C 13 114.512 0.000 . 1 . . . B 458 TRP CZ2 . 19791 2 69 . 2 2 6 6 TRP CZ3 C 13 121.569 0.000 . 1 . . . B 458 TRP CZ3 . 19791 2 70 . 2 2 6 6 TRP CH2 C 13 124.227 0.000 . 1 . . . B 458 TRP CH2 . 19791 2 71 . 2 2 6 6 TRP N N 15 121.163 0.093 . 1 . . . B 458 TRP N . 19791 2 72 . 2 2 7 7 ASP H H 1 8.031 0.005 . 1 . . . B 459 ASP H . 19791 2 73 . 2 2 7 7 ASP HA H 1 4.441 0.006 . 1 . . . B 459 ASP HA . 19791 2 74 . 2 2 7 7 ASP HB2 H 1 2.591 0.008 . 2 . . . B 459 ASP HB2 . 19791 2 75 . 2 2 7 7 ASP HB3 H 1 2.590 0.007 . 2 . . . B 459 ASP HB3 . 19791 2 76 . 2 2 7 7 ASP C C 13 176.140 0.000 . 1 . . . B 459 ASP C . 19791 2 77 . 2 2 7 7 ASP CA C 13 56.667 0.000 . 1 . . . B 459 ASP CA . 19791 2 78 . 2 2 7 7 ASP CB C 13 40.167 0.000 . 1 . . . B 459 ASP CB . 19791 2 79 . 2 2 7 7 ASP N N 15 120.311 0.061 . 1 . . . B 459 ASP N . 19791 2 80 . 2 2 8 8 TYR H H 1 7.918 0.003 . 1 . . . B 460 TYR H . 19791 2 81 . 2 2 8 8 TYR HA H 1 4.425 0.003 . 1 . . . B 460 TYR HA . 19791 2 82 . 2 2 8 8 TYR HB2 H 1 2.951 0.003 . 1 . . . B 460 TYR HB2 . 19791 2 83 . 2 2 8 8 TYR HB3 H 1 2.951 0.003 . 1 . . . B 460 TYR HB3 . 19791 2 84 . 2 2 8 8 TYR HD1 H 1 7.049 0.005 . 3 . . . B 460 TYR HD1 . 19791 2 85 . 2 2 8 8 TYR HD2 H 1 7.049 0.005 . 3 . . . B 460 TYR HD2 . 19791 2 86 . 2 2 8 8 TYR HE1 H 1 6.769 0.004 . 3 . . . B 460 TYR HE1 . 19791 2 87 . 2 2 8 8 TYR HE2 H 1 6.769 0.004 . 3 . . . B 460 TYR HE2 . 19791 2 88 . 2 2 8 8 TYR C C 13 177.411 0.000 . 1 . . . B 460 TYR C . 19791 2 89 . 2 2 8 8 TYR CA C 13 58.816 0.001 . 1 . . . B 460 TYR CA . 19791 2 90 . 2 2 8 8 TYR CB C 13 37.450 0.000 . 1 . . . B 460 TYR CB . 19791 2 91 . 2 2 8 8 TYR CD1 C 13 133.283 0.000 . 3 . . . B 460 TYR CD1 . 19791 2 92 . 2 2 8 8 TYR CD2 C 13 133.283 0.000 . 3 . . . B 460 TYR CD2 . 19791 2 93 . 2 2 8 8 TYR CE1 C 13 118.248 0.000 . 3 . . . B 460 TYR CE1 . 19791 2 94 . 2 2 8 8 TYR CE2 C 13 118.248 0.000 . 3 . . . B 460 TYR CE2 . 19791 2 95 . 2 2 8 8 TYR N N 15 117.085 0.032 . 1 . . . B 460 TYR N . 19791 2 96 . 2 2 9 9 ILE H H 1 7.252 0.007 . 1 . . . B 461 ILE H . 19791 2 97 . 2 2 9 9 ILE HA H 1 3.900 0.005 . 1 . . . B 461 ILE HA . 19791 2 98 . 2 2 9 9 ILE HB H 1 1.408 0.003 . 1 . . . B 461 ILE HB . 19791 2 99 . 2 2 9 9 ILE HG12 H 1 1.036 0.003 . 2 . . . B 461 ILE HG12 . 19791 2 100 . 2 2 9 9 ILE HG13 H 1 1.090 0.001 . 2 . . . B 461 ILE HG13 . 19791 2 101 . 2 2 9 9 ILE HG21 H 1 0.465 0.001 . 1 . . . B 461 ILE HG21 . 19791 2 102 . 2 2 9 9 ILE HG22 H 1 0.465 0.001 . 1 . . . B 461 ILE HG22 . 19791 2 103 . 2 2 9 9 ILE HG23 H 1 0.465 0.001 . 1 . . . B 461 ILE HG23 . 19791 2 104 . 2 2 9 9 ILE HD11 H 1 0.690 0.005 . 1 . . . B 461 ILE HD11 . 19791 2 105 . 2 2 9 9 ILE HD12 H 1 0.690 0.005 . 1 . . . B 461 ILE HD12 . 19791 2 106 . 2 2 9 9 ILE HD13 H 1 0.690 0.005 . 1 . . . B 461 ILE HD13 . 19791 2 107 . 2 2 9 9 ILE C C 13 176.122 0.000 . 1 . . . B 461 ILE C . 19791 2 108 . 2 2 9 9 ILE CA C 13 61.500 0.000 . 1 . . . B 461 ILE CA . 19791 2 109 . 2 2 9 9 ILE CB C 13 38.567 0.000 . 1 . . . B 461 ILE CB . 19791 2 110 . 2 2 9 9 ILE CG1 C 13 28.252 0.000 . 1 . . . B 461 ILE CG1 . 19791 2 111 . 2 2 9 9 ILE CG2 C 13 16.969 0.000 . 1 . . . B 461 ILE CG2 . 19791 2 112 . 2 2 9 9 ILE CD1 C 13 13.473 0.000 . 1 . . . B 461 ILE CD1 . 19791 2 113 . 2 2 9 9 ILE N N 15 120.334 0.097 . 1 . . . B 461 ILE N . 19791 2 114 . 2 2 10 10 PHE H H 1 7.536 0.002 . 1 . . . B 462 PHE H . 19791 2 115 . 2 2 10 10 PHE HA H 1 4.387 0.001 . 1 . . . B 462 PHE HA . 19791 2 116 . 2 2 10 10 PHE HB2 H 1 3.037 0.006 . 2 . . . B 462 PHE HB2 . 19791 2 117 . 2 2 10 10 PHE HB3 H 1 2.777 0.003 . 2 . . . B 462 PHE HB3 . 19791 2 118 . 2 2 10 10 PHE HD1 H 1 7.107 0.004 . 3 . . . B 462 PHE HD1 . 19791 2 119 . 2 2 10 10 PHE HD2 H 1 7.107 0.004 . 3 . . . B 462 PHE HD2 . 19791 2 120 . 2 2 10 10 PHE HE1 H 1 7.097 0.003 . 3 . . . B 462 PHE HE1 . 19791 2 121 . 2 2 10 10 PHE HE2 H 1 7.097 0.003 . 3 . . . B 462 PHE HE2 . 19791 2 122 . 2 2 10 10 PHE HZ H 1 6.996 0.004 . 1 . . . B 462 PHE HZ . 19791 2 123 . 2 2 10 10 PHE C C 13 175.637 0.000 . 1 . . . B 462 PHE C . 19791 2 124 . 2 2 10 10 PHE CA C 13 58.859 0.000 . 1 . . . B 462 PHE CA . 19791 2 125 . 2 2 10 10 PHE CB C 13 40.233 0.000 . 1 . . . B 462 PHE CB . 19791 2 126 . 2 2 10 10 PHE CD1 C 13 132.109 0.000 . 3 . . . B 462 PHE CD1 . 19791 2 127 . 2 2 10 10 PHE CD2 C 13 132.109 0.000 . 3 . . . B 462 PHE CD2 . 19791 2 128 . 2 2 10 10 PHE CE1 C 13 131.418 0.000 . 3 . . . B 462 PHE CE1 . 19791 2 129 . 2 2 10 10 PHE CE2 C 13 131.418 0.000 . 3 . . . B 462 PHE CE2 . 19791 2 130 . 2 2 10 10 PHE CZ C 13 129.186 0.000 . 1 . . . B 462 PHE CZ . 19791 2 131 . 2 2 10 10 PHE N N 15 119.202 0.002 . 1 . . . B 462 PHE N . 19791 2 132 . 2 2 11 11 GLU H H 1 8.163 0.003 . 1 . . . B 463 GLU H . 19791 2 133 . 2 2 11 11 GLU HA H 1 4.486 0.003 . 1 . . . B 463 GLU HA . 19791 2 134 . 2 2 11 11 GLU HB2 H 1 2.005 0.003 . 2 . . . B 463 GLU HB2 . 19791 2 135 . 2 2 11 11 GLU HB3 H 1 2.104 0.001 . 2 . . . B 463 GLU HB3 . 19791 2 136 . 2 2 11 11 GLU HG2 H 1 2.281 0.002 . 1 . . . B 463 GLU HG2 . 19791 2 137 . 2 2 11 11 GLU HG3 H 1 2.282 0.002 . 1 . . . B 463 GLU HG3 . 19791 2 138 . 2 2 11 11 GLU C C 13 175.719 0.000 . 1 . . . B 463 GLU C . 19791 2 139 . 2 2 11 11 GLU CA C 13 56.117 0.000 . 1 . . . B 463 GLU CA . 19791 2 140 . 2 2 11 11 GLU CB C 13 30.583 0.000 . 1 . . . B 463 GLU CB . 19791 2 141 . 2 2 11 11 GLU CG C 13 36.000 0.000 . 1 . . . B 463 GLU CG . 19791 2 142 . 2 2 11 11 GLU N N 15 120.288 0.095 . 1 . . . B 463 GLU N . 19791 2 143 . 2 2 12 12 THR H H 1 8.365 0.005 . 1 . . . B 464 THR H . 19791 2 144 . 2 2 12 12 THR HA H 1 4.485 0.003 . 1 . . . B 464 THR HA . 19791 2 145 . 2 2 12 12 THR HB H 1 4.249 0.004 . 1 . . . B 464 THR HB . 19791 2 146 . 2 2 12 12 THR HG21 H 1 1.249 0.009 . 1 . . . B 464 THR HG21 . 19791 2 147 . 2 2 12 12 THR HG22 H 1 1.249 0.009 . 1 . . . B 464 THR HG22 . 19791 2 148 . 2 2 12 12 THR HG23 H 1 1.249 0.009 . 1 . . . B 464 THR HG23 . 19791 2 149 . 2 2 12 12 THR C C 13 176.499 0.000 . 1 . . . B 464 THR C . 19791 2 150 . 2 2 12 12 THR CA C 13 62.228 0.011 . 1 . . . B 464 THR CA . 19791 2 151 . 2 2 12 12 THR CB C 13 69.850 0.000 . 1 . . . B 464 THR CB . 19791 2 152 . 2 2 12 12 THR CG2 C 13 21.733 0.000 . 1 . . . B 464 THR CG2 . 19791 2 153 . 2 2 12 12 THR N N 15 116.476 0.045 . 1 . . . B 464 THR N . 19791 2 154 . 2 2 13 13 THR H H 1 8.283 0.002 . 1 . . . B 465 THR H . 19791 2 155 . 2 2 13 13 THR HA H 1 4.390 0.001 . 1 . . . B 465 THR HA . 19791 2 156 . 2 2 13 13 THR HB H 1 4.219 0.001 . 1 . . . B 465 THR HB . 19791 2 157 . 2 2 13 13 THR HG21 H 1 1.208 0.004 . 1 . . . B 465 THR HG21 . 19791 2 158 . 2 2 13 13 THR HG22 H 1 1.208 0.004 . 1 . . . B 465 THR HG22 . 19791 2 159 . 2 2 13 13 THR HG23 H 1 1.208 0.004 . 1 . . . B 465 THR HG23 . 19791 2 160 . 2 2 13 13 THR C C 13 174.647 0.000 . 1 . . . B 465 THR C . 19791 2 161 . 2 2 13 13 THR CA C 13 61.991 0.000 . 1 . . . B 465 THR CA . 19791 2 162 . 2 2 13 13 THR CB C 13 69.917 0.000 . 1 . . . B 465 THR CB . 19791 2 163 . 2 2 13 13 THR CG2 C 13 21.800 0.000 . 1 . . . B 465 THR CG2 . 19791 2 164 . 2 2 13 13 THR N N 15 117.496 0.099 . 1 . . . B 465 THR N . 19791 2 stop_ save_