data_25540 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25540 _Entry.Title ; NMR structure of the complex between the C-terminal domain of the Rift Valley fever virus protein NSs and the PH domain of the Tfb1 subunit of TFIIH. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-18 _Entry.Accession_date 2015-03-18 _Entry.Last_release_date 2015-04-20 _Entry.Original_release_date 2015-04-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Normand Cyr . . . 25540 2 Cynthia 'de la Fuente' . . . 25540 3 Lauriane Lecoq . . . 25540 4 Irene Guendel . . . 25540 5 Philippe Chabot . R. . 25540 6 Kylene Kehn-Hall . . . 25540 7 James Omichinski . G. . 25540 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' . 25540 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NSs . 25540 'PH domain' . 25540 RVFV . 25540 'Rift Valley Fever Virus' . 25540 TFIIH . 25540 Tfb1 . 25540 'drug target' . 25540 p62 . 25540 transcription . 25540 'viral protein-transcription complex' . 25540 virulence . 25540 'virus-host interface' . 25540 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25540 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 597 25540 '15N chemical shifts' 143 25540 '1H chemical shifts' 953 25540 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 . . 2015-05-26 2015-03-18 update BMRB 'update entry citation' 25540 1 . . 2015-04-20 2015-03-18 original author 'original release' 25540 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18229 . 25540 BMRB 18842 . 25540 BMRB 6225 . 25540 PDB 1y5o . 25540 PDB 2N0Y 'BMRB Entry Tracking System' 25540 PDB 2lox . 25540 PDB 2m14 . 25540 REF NP_010597 . 25540 REF YP_003848706 . 25540 SP P21698 . 25540 SP P32776 . 25540 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25540 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25918396 _Citation.Full_citation . _Citation.Title ; A OmegaXaV motif in the Rift Valley fever virus NSs protein is essential for degrading p62, forming nuclear filaments and virulence. ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences' _Citation.Journal_volume 112 _Citation.Journal_issue 19 _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 6021 _Citation.Page_last 6026 _Citation.Year 2015 _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 Normand Cyr . . . 25540 1 2 Cynthia 'de la Fuente' . . . 25540 1 3 Lauriane Lecoq . . . 25540 1 4 Irene Guendel . . . 25540 1 5 Philippe Chabot . R. . 25540 1 6 Kylene Kehn-Hall . . . 25540 1 7 James Omichinski . G. . 25540 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25540 _Assembly.ID 1 _Assembly.Name 'NSsCT-Tfb1PH complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'RNA polymerase II transcription factor B subunit 1' 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 A . yes native no no . . . 25540 1 2 'Non-structural protein NS-S' 2 $Non-structural_protein_NS-S B . yes native no no . . . 25540 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 6225 . . 'solution NMR' . 'Tfb1 free' . 25540 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_polymerase_II_transcription_factor_B_subunit_1 _Entity.Sf_category entity _Entity.Sf_framecode RNA_polymerase_II_transcription_factor_B_subunit_1 _Entity.Entry_ID 25540 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_polymerase_II_transcription_factor_B_subunit_1 _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 1 _Entity.Fragment 'Pleckstrin homology domain' _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 yes SP P32776 . "TFIIH subunit TFB1" . . . . . . . . . . . . . . 25540 1 2 yes REF NP_010597 . "TFIIH/NER complex subunit TFB1" . . . . . . . . . . . . . . 25540 1 3 yes BMRB 6225 . . . . . . . . . . . . . . . . 25540 1 4 yes PDB 1y5o . . . . . . . . . . . . . . . . 25540 1 5 no BMRB 18229 . Tfb1 . . . . . 100.00 119 100.00 100.00 6.74e-78 . . . . 25540 1 6 no BMRB 18842 . Tfb1 . . . . . 100.00 119 100.00 100.00 6.74e-78 . . . . 25540 1 7 no BMRB 19791 . Tfb1 . . . . . 100.00 115 100.00 100.00 6.41e-78 . . . . 25540 1 8 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 . . . . 25540 1 9 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 . . . . 25540 1 10 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 . . . . 25540 1 11 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 . . . . 25540 1 12 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 . . . . 25540 1 13 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 . . . . 25540 1 14 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 . . . . 25540 1 15 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 . . . . 25540 1 16 no DBJ GAA22531 . "K7_Tfb1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 25540 1 17 no EMBL CAY78811 . "Tfb1p [Saccharomyces cerevisiae EC1118]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 25540 1 18 no GB AAA35143 . "RNA polymerase II transcription factor b, 73 kDa subunit [Saccharomyces cerevisiae]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 25540 1 19 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 . . . . 25540 1 20 no GB AAU09707 . "YDR311W [Saccharomyces cerevisiae]" . . . . . 99.13 642 100.00 100.00 1.92e-71 . . . . 25540 1 21 no GB AHY75284 . "Tfb1p [Saccharomyces cerevisiae YJM993]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 25540 1 22 no GB AJP38011 . "Tfb1p [Saccharomyces cerevisiae YJM1078]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 25540 1 23 no REF NP_010597 . "TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 25540 1 24 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 . . . . 25540 1 25 no TPG DAA12150 . "TPA: TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 99.13 642 100.00 100.00 1.73e-71 . . . . 25540 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA repair, Transcription regulation' 25540 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 . 25540 1 2 2 SER . 25540 1 3 3 HIS . 25540 1 4 4 SER . 25540 1 5 5 GLY . 25540 1 6 6 ALA . 25540 1 7 7 ALA . 25540 1 8 8 ILE . 25540 1 9 9 PHE . 25540 1 10 10 GLU . 25540 1 11 11 LYS . 25540 1 12 12 VAL . 25540 1 13 13 SER . 25540 1 14 14 GLY . 25540 1 15 15 ILE . 25540 1 16 16 ILE . 25540 1 17 17 ALA . 25540 1 18 18 ILE . 25540 1 19 19 ASN . 25540 1 20 20 GLU . 25540 1 21 21 ASP . 25540 1 22 22 VAL . 25540 1 23 23 SER . 25540 1 24 24 PRO . 25540 1 25 25 ALA . 25540 1 26 26 GLU . 25540 1 27 27 LEU . 25540 1 28 28 THR . 25540 1 29 29 TRP . 25540 1 30 30 ARG . 25540 1 31 31 SER . 25540 1 32 32 THR . 25540 1 33 33 ASP . 25540 1 34 34 GLY . 25540 1 35 35 ASP . 25540 1 36 36 LYS . 25540 1 37 37 VAL . 25540 1 38 38 HIS . 25540 1 39 39 THR . 25540 1 40 40 VAL . 25540 1 41 41 VAL . 25540 1 42 42 LEU . 25540 1 43 43 SER . 25540 1 44 44 THR . 25540 1 45 45 ILE . 25540 1 46 46 ASP . 25540 1 47 47 LYS . 25540 1 48 48 LEU . 25540 1 49 49 GLN . 25540 1 50 50 ALA . 25540 1 51 51 THR . 25540 1 52 52 PRO . 25540 1 53 53 ALA . 25540 1 54 54 SER . 25540 1 55 55 SER . 25540 1 56 56 GLU . 25540 1 57 57 LYS . 25540 1 58 58 MET . 25540 1 59 59 MET . 25540 1 60 60 LEU . 25540 1 61 61 ARG . 25540 1 62 62 LEU . 25540 1 63 63 ILE . 25540 1 64 64 GLY . 25540 1 65 65 LYS . 25540 1 66 66 VAL . 25540 1 67 67 ASP . 25540 1 68 68 GLU . 25540 1 69 69 SER . 25540 1 70 70 LYS . 25540 1 71 71 LYS . 25540 1 72 72 ARG . 25540 1 73 73 LYS . 25540 1 74 74 ASP . 25540 1 75 75 ASN . 25540 1 76 76 GLU . 25540 1 77 77 GLY . 25540 1 78 78 ASN . 25540 1 79 79 GLU . 25540 1 80 80 VAL . 25540 1 81 81 VAL . 25540 1 82 82 PRO . 25540 1 83 83 LYS . 25540 1 84 84 PRO . 25540 1 85 85 GLN . 25540 1 86 86 ARG . 25540 1 87 87 HIS . 25540 1 88 88 MET . 25540 1 89 89 PHE . 25540 1 90 90 SER . 25540 1 91 91 PHE . 25540 1 92 92 ASN . 25540 1 93 93 ASN . 25540 1 94 94 ARG . 25540 1 95 95 THR . 25540 1 96 96 VAL . 25540 1 97 97 MET . 25540 1 98 98 ASP . 25540 1 99 99 ASN . 25540 1 100 100 ILE . 25540 1 101 101 LYS . 25540 1 102 102 MET . 25540 1 103 103 THR . 25540 1 104 104 LEU . 25540 1 105 105 GLN . 25540 1 106 106 GLN . 25540 1 107 107 ILE . 25540 1 108 108 ILE . 25540 1 109 109 SER . 25540 1 110 110 ARG . 25540 1 111 111 TYR . 25540 1 112 112 LYS . 25540 1 113 113 ASP . 25540 1 114 114 ALA . 25540 1 115 115 ASP . 25540 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 25540 1 . SER 2 2 25540 1 . HIS 3 3 25540 1 . SER 4 4 25540 1 . GLY 5 5 25540 1 . ALA 6 6 25540 1 . ALA 7 7 25540 1 . ILE 8 8 25540 1 . PHE 9 9 25540 1 . GLU 10 10 25540 1 . LYS 11 11 25540 1 . VAL 12 12 25540 1 . SER 13 13 25540 1 . GLY 14 14 25540 1 . ILE 15 15 25540 1 . ILE 16 16 25540 1 . ALA 17 17 25540 1 . ILE 18 18 25540 1 . ASN 19 19 25540 1 . GLU 20 20 25540 1 . ASP 21 21 25540 1 . VAL 22 22 25540 1 . SER 23 23 25540 1 . PRO 24 24 25540 1 . ALA 25 25 25540 1 . GLU 26 26 25540 1 . LEU 27 27 25540 1 . THR 28 28 25540 1 . TRP 29 29 25540 1 . ARG 30 30 25540 1 . SER 31 31 25540 1 . THR 32 32 25540 1 . ASP 33 33 25540 1 . GLY 34 34 25540 1 . ASP 35 35 25540 1 . LYS 36 36 25540 1 . VAL 37 37 25540 1 . HIS 38 38 25540 1 . THR 39 39 25540 1 . VAL 40 40 25540 1 . VAL 41 41 25540 1 . LEU 42 42 25540 1 . SER 43 43 25540 1 . THR 44 44 25540 1 . ILE 45 45 25540 1 . ASP 46 46 25540 1 . LYS 47 47 25540 1 . LEU 48 48 25540 1 . GLN 49 49 25540 1 . ALA 50 50 25540 1 . THR 51 51 25540 1 . PRO 52 52 25540 1 . ALA 53 53 25540 1 . SER 54 54 25540 1 . SER 55 55 25540 1 . GLU 56 56 25540 1 . LYS 57 57 25540 1 . MET 58 58 25540 1 . MET 59 59 25540 1 . LEU 60 60 25540 1 . ARG 61 61 25540 1 . LEU 62 62 25540 1 . ILE 63 63 25540 1 . GLY 64 64 25540 1 . LYS 65 65 25540 1 . VAL 66 66 25540 1 . ASP 67 67 25540 1 . GLU 68 68 25540 1 . SER 69 69 25540 1 . LYS 70 70 25540 1 . LYS 71 71 25540 1 . ARG 72 72 25540 1 . LYS 73 73 25540 1 . ASP 74 74 25540 1 . ASN 75 75 25540 1 . GLU 76 76 25540 1 . GLY 77 77 25540 1 . ASN 78 78 25540 1 . GLU 79 79 25540 1 . VAL 80 80 25540 1 . VAL 81 81 25540 1 . PRO 82 82 25540 1 . LYS 83 83 25540 1 . PRO 84 84 25540 1 . GLN 85 85 25540 1 . ARG 86 86 25540 1 . HIS 87 87 25540 1 . MET 88 88 25540 1 . PHE 89 89 25540 1 . SER 90 90 25540 1 . PHE 91 91 25540 1 . ASN 92 92 25540 1 . ASN 93 93 25540 1 . ARG 94 94 25540 1 . THR 95 95 25540 1 . VAL 96 96 25540 1 . MET 97 97 25540 1 . ASP 98 98 25540 1 . ASN 99 99 25540 1 . ILE 100 100 25540 1 . LYS 101 101 25540 1 . MET 102 102 25540 1 . THR 103 103 25540 1 . LEU 104 104 25540 1 . GLN 105 105 25540 1 . GLN 106 106 25540 1 . ILE 107 107 25540 1 . ILE 108 108 25540 1 . SER 109 109 25540 1 . ARG 110 110 25540 1 . TYR 111 111 25540 1 . LYS 112 112 25540 1 . ASP 113 113 25540 1 . ALA 114 114 25540 1 . ASP 115 115 25540 1 stop_ save_ save_Non-structural_protein_NS-S _Entity.Sf_category entity _Entity.Sf_framecode Non-structural_protein_NS-S _Entity.Entry_ID 25540 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Non-structural_protein_NS-S _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 ; GGGGYDVEMESEEESDDDGF VEVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 242-246 were introduced to faciliate the purification and quantification of the protein.' _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'C-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2566.504 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes SP P21698 . 'Non-structural protein NS-S' . . . . . . . . . . . . . . 25540 2 2 yes REF YP_003848706 . 'non-structural protein' . . . . . . . . . . . . . . 25540 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'virulence, suppression of host transcription' 25540 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 242 GLY . 25540 2 2 243 GLY . 25540 2 3 244 GLY . 25540 2 4 245 GLY . 25540 2 5 246 TYR . 25540 2 6 247 ASP . 25540 2 7 248 VAL . 25540 2 8 249 GLU . 25540 2 9 250 MET . 25540 2 10 251 GLU . 25540 2 11 252 SER . 25540 2 12 253 GLU . 25540 2 13 254 GLU . 25540 2 14 255 GLU . 25540 2 15 256 SER . 25540 2 16 257 ASP . 25540 2 17 258 ASP . 25540 2 18 259 ASP . 25540 2 19 260 GLY . 25540 2 20 261 PHE . 25540 2 21 262 VAL . 25540 2 22 263 GLU . 25540 2 23 264 VAL . 25540 2 24 265 ASP . 25540 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25540 2 . GLY 2 2 25540 2 . GLY 3 3 25540 2 . GLY 4 4 25540 2 . TYR 5 5 25540 2 . ASP 6 6 25540 2 . VAL 7 7 25540 2 . GLU 8 8 25540 2 . MET 9 9 25540 2 . GLU 10 10 25540 2 . SER 11 11 25540 2 . GLU 12 12 25540 2 . GLU 13 13 25540 2 . GLU 14 14 25540 2 . SER 15 15 25540 2 . ASP 16 16 25540 2 . ASP 17 17 25540 2 . ASP 18 18 25540 2 . GLY 19 19 25540 2 . PHE 20 20 25540 2 . VAL 21 21 25540 2 . GLU 22 22 25540 2 . VAL 23 23 25540 2 . ASP 24 24 25540 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 25540 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukarota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . TFB1 . 25540 1 2 2 $Non-structural_protein_NS-S . 11588 virus . Phlebovirus 'Rift Valley Fever Virus' . . Viruses . Phlebovirus . ZH-548 . . . . . . . . . . NSS . 25540 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 25540 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli TOPP2 . . . . . pGEX-2T . . . 25540 1 2 2 $Non-structural_protein_NS-S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli TOPP2 . . . . . pGEX-2T . . . 25540 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25540 _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 'RNA polymerase II transcription factor B subunit 1' '[U-13C; U-15N]' . . 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 . . 1 . . mM . . . . 25540 1 2 'Non-structural protein NS-S' 'natural abundance' . . 2 $Non-structural_protein_NS-S . . 2 . . mM . . . . 25540 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25540 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25540 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25540 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA polymerase II transcription factor B subunit 1' '[U-13C; U-15N]' . . 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 . . 1 . . mM . . . . 25540 2 2 'Non-structural protein NS-S' 'natural abundance' . . 2 $Non-structural_protein_NS-S . . 2 . . mM . . . . 25540 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25540 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25540 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA polymerase II transcription factor B subunit 1' [U-15N] . . 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 . . 0.5 . . mM . . . . 25540 3 2 'Non-structural protein NS-S' 'natural abundance' . . 2 $Non-structural_protein_NS-S . . 1 . . mM . . . . 25540 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25540 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25540 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25540 _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 'RNA polymerase II transcription factor B subunit 1' 'natural abundance' . . 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 . . 1 . . mM . . . . 25540 4 2 'Non-structural protein NS-S' '[U-13C; U-15N]' . . 2 $Non-structural_protein_NS-S . . 0.5 . . mM . . . . 25540 4 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25540 4 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25540 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25540 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA polymerase II transcription factor B subunit 1' 'natural abundance' . . 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 . . 0.5 . . mM . . . . 25540 5 2 'Non-structural protein NS-S' '[U-13C; U-15N]' . . 2 $Non-structural_protein_NS-S . . 1 . . mM . . . . 25540 5 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25540 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 25540 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA polymerase II transcription factor B subunit 1' 'natural abundance' . . 1 $RNA_polymerase_II_transcription_factor_B_subunit_1 . . 0.4 . . mM . . . . 25540 6 2 'Non-structural protein NS-S' [U-15N] . . 2 $Non-structural_protein_NS-S . . 0.2 . . mM . . . . 25540 6 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25540 6 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25540 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 25540 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM phosphate pH 6.5, 1 mM DTT' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 25540 1 pressure 1 . atm 25540 1 temperature 300 . K 25540 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25540 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.3.1 _Software.Details . save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25540 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . save_ save_TALOS-N _Software.Sf_category software _Software.Sf_framecode TALOS-N _Software.Entry_ID 25540 _Software.ID 3 _Software.Name TALOS-N _Software.Version . _Software.Details . 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 25540 _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 25540 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25540 _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 . . . 25540 1 2 spectrometer_2 Varian INOVA . 600 . . . 25540 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 25540 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25540 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 6 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 8 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25540 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25540 1 16 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25540 1 17 '3D 1H-13C NOESY intermolecular' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 1 18 '3D 1H-13C NOESY intermolecular' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25540 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 25540 _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 . . . . . . . . . 25540 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25540 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25540 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 25540 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 25540 1 2 '2D 1H-15N HSQC' . . . 25540 1 3 '3D HCCH-TOCSY' . . . 25540 1 4 '3D HCCH-TOCSY' . . . 25540 1 5 '3D HNCO' . . . 25540 1 6 '3D HNCO' . . . 25540 1 7 '3D HNCACB' . . . 25540 1 8 '3D HNCACB' . . . 25540 1 9 '2D 1H-13C HSQC' . . . 25540 1 10 '2D 1H-13C HSQC' . . . 25540 1 15 '2D 1H-13C HSQC aromatic' . . . 25540 1 16 '2D 1H-13C HSQC aromatic' . . . 25540 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25540 1 2 $CNS . . 25540 1 3 $TALOS-N . . 25540 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.533 0.01 . 1 . . . A 1 PRO HA . 25540 1 2 . 1 1 1 1 PRO HB2 H 1 2.333 0.01 . 2 . . . A 1 PRO HB2 . 25540 1 3 . 1 1 1 1 PRO HB3 H 1 1.906 0.01 . 2 . . . A 1 PRO HB3 . 25540 1 4 . 1 1 1 1 PRO HG2 H 1 2.029 0.01 . 2 . . . A 1 PRO HG2 . 25540 1 5 . 1 1 1 1 PRO HG3 H 1 2.029 0.01 . 2 . . . A 1 PRO HG3 . 25540 1 6 . 1 1 1 1 PRO HD2 H 1 3.750 0.01 . 2 . . . A 1 PRO HD2 . 25540 1 7 . 1 1 1 1 PRO HD3 H 1 3.864 0.01 . 2 . . . A 1 PRO HD3 . 25540 1 8 . 1 1 1 1 PRO C C 13 176.808 0.05 . 1 . . . A 1 PRO C . 25540 1 9 . 1 1 1 1 PRO CA C 13 63.820 0.05 . 1 . . . A 1 PRO CA . 25540 1 10 . 1 1 1 1 PRO CB C 13 32.060 0.05 . 1 . . . A 1 PRO CB . 25540 1 11 . 1 1 1 1 PRO CG C 13 27.440 0.05 . 1 . . . A 1 PRO CG . 25540 1 12 . 1 1 1 1 PRO CD C 13 50.890 0.05 . 1 . . . A 1 PRO CD . 25540 1 13 . 1 1 2 2 SER H H 1 8.081 0.01 . 1 . . . A 2 SER H . 25540 1 14 . 1 1 2 2 SER HA H 1 4.409 0.01 . 1 . . . A 2 SER HA . 25540 1 15 . 1 1 2 2 SER HB2 H 1 3.813 0.01 . 2 . . . A 2 SER HB2 . 25540 1 16 . 1 1 2 2 SER HB3 H 1 3.880 0.01 . 2 . . . A 2 SER HB3 . 25540 1 17 . 1 1 2 2 SER CA C 13 58.565 0.05 . 1 . . . A 2 SER CA . 25540 1 18 . 1 1 2 2 SER CB C 13 63.414 0.05 . 1 . . . A 2 SER CB . 25540 1 19 . 1 1 2 2 SER N N 15 113.220 0.05 . 1 . . . A 2 SER N . 25540 1 20 . 1 1 3 3 HIS HA H 1 4.681 0.01 . 1 . . . A 3 HIS HA . 25540 1 21 . 1 1 3 3 HIS HB2 H 1 2.995 0.01 . 2 . . . A 3 HIS HB2 . 25540 1 22 . 1 1 3 3 HIS HB3 H 1 3.600 0.01 . 2 . . . A 3 HIS HB3 . 25540 1 23 . 1 1 3 3 HIS HD2 H 1 7.209 0.01 . 1 . . . A 3 HIS HD2 . 25540 1 24 . 1 1 3 3 HIS HE1 H 1 8.483 0.01 . 1 . . . A 3 HIS HE1 . 25540 1 25 . 1 1 3 3 HIS C C 13 173.780 0.05 . 1 . . . A 3 HIS C . 25540 1 26 . 1 1 3 3 HIS CA C 13 56.289 0.05 . 1 . . . A 3 HIS CA . 25540 1 27 . 1 1 3 3 HIS CB C 13 31.190 0.05 . 1 . . . A 3 HIS CB . 25540 1 28 . 1 1 3 3 HIS CD2 C 13 119.280 0.05 . 1 . . . A 3 HIS CD2 . 25540 1 29 . 1 1 3 3 HIS CE1 C 13 137.286 0.05 . 1 . . . A 3 HIS CE1 . 25540 1 30 . 1 1 4 4 SER H H 1 7.847 0.01 . 1 . . . A 4 SER H . 25540 1 31 . 1 1 4 4 SER HA H 1 5.505 0.01 . 1 . . . A 4 SER HA . 25540 1 32 . 1 1 4 4 SER HB2 H 1 3.881 0.01 . 2 . . . A 4 SER HB2 . 25540 1 33 . 1 1 4 4 SER HB3 H 1 3.881 0.01 . 2 . . . A 4 SER HB3 . 25540 1 34 . 1 1 4 4 SER C C 13 173.501 0.05 . 1 . . . A 4 SER C . 25540 1 35 . 1 1 4 4 SER CA C 13 56.954 0.05 . 1 . . . A 4 SER CA . 25540 1 36 . 1 1 4 4 SER CB C 13 65.891 0.05 . 1 . . . A 4 SER CB . 25540 1 37 . 1 1 4 4 SER N N 15 113.484 0.05 . 1 . . . A 4 SER N . 25540 1 38 . 1 1 5 5 GLY H H 1 8.372 0.01 . 1 . . . A 5 GLY H . 25540 1 39 . 1 1 5 5 GLY HA2 H 1 4.247 0.01 . 2 . . . A 5 GLY HA2 . 25540 1 40 . 1 1 5 5 GLY HA3 H 1 4.083 0.01 . 2 . . . A 5 GLY HA3 . 25540 1 41 . 1 1 5 5 GLY C C 13 170.858 0.05 . 1 . . . A 5 GLY C . 25540 1 42 . 1 1 5 5 GLY CA C 13 45.450 0.05 . 1 . . . A 5 GLY CA . 25540 1 43 . 1 1 5 5 GLY N N 15 106.967 0.05 . 1 . . . A 5 GLY N . 25540 1 44 . 1 1 6 6 ALA H H 1 8.655 0.01 . 1 . . . A 6 ALA H . 25540 1 45 . 1 1 6 6 ALA HA H 1 4.959 0.01 . 1 . . . A 6 ALA HA . 25540 1 46 . 1 1 6 6 ALA HB1 H 1 1.549 0.01 . 1 . . . A 6 ALA HB1 . 25540 1 47 . 1 1 6 6 ALA HB2 H 1 1.549 0.01 . 1 . . . A 6 ALA HB2 . 25540 1 48 . 1 1 6 6 ALA HB3 H 1 1.549 0.01 . 1 . . . A 6 ALA HB3 . 25540 1 49 . 1 1 6 6 ALA C C 13 176.769 0.05 . 1 . . . A 6 ALA C . 25540 1 50 . 1 1 6 6 ALA CA C 13 52.665 0.05 . 1 . . . A 6 ALA CA . 25540 1 51 . 1 1 6 6 ALA CB C 13 19.395 0.05 . 1 . . . A 6 ALA CB . 25540 1 52 . 1 1 6 6 ALA N N 15 125.195 0.05 . 1 . . . A 6 ALA N . 25540 1 53 . 1 1 7 7 ALA H H 1 8.394 0.01 . 1 . . . A 7 ALA H . 25540 1 54 . 1 1 7 7 ALA HA H 1 4.657 0.01 . 1 . . . A 7 ALA HA . 25540 1 55 . 1 1 7 7 ALA HB1 H 1 1.009 0.01 . 1 . . . A 7 ALA HB1 . 25540 1 56 . 1 1 7 7 ALA HB2 H 1 1.009 0.01 . 1 . . . A 7 ALA HB2 . 25540 1 57 . 1 1 7 7 ALA HB3 H 1 1.009 0.01 . 1 . . . A 7 ALA HB3 . 25540 1 58 . 1 1 7 7 ALA C C 13 176.641 0.05 . 1 . . . A 7 ALA C . 25540 1 59 . 1 1 7 7 ALA CA C 13 51.664 0.05 . 1 . . . A 7 ALA CA . 25540 1 60 . 1 1 7 7 ALA CB C 13 24.062 0.05 . 1 . . . A 7 ALA CB . 25540 1 61 . 1 1 7 7 ALA N N 15 119.996 0.05 . 1 . . . A 7 ALA N . 25540 1 62 . 1 1 8 8 ILE H H 1 9.386 0.01 . 1 . . . A 8 ILE H . 25540 1 63 . 1 1 8 8 ILE HA H 1 4.983 0.01 . 1 . . . A 8 ILE HA . 25540 1 64 . 1 1 8 8 ILE HB H 1 1.578 0.01 . 1 . . . A 8 ILE HB . 25540 1 65 . 1 1 8 8 ILE HG12 H 1 1.505 0.01 . 2 . . . A 8 ILE HG12 . 25540 1 66 . 1 1 8 8 ILE HG13 H 1 0.953 0.01 . 2 . . . A 8 ILE HG13 . 25540 1 67 . 1 1 8 8 ILE HG21 H 1 0.605 0.01 . 1 . . . A 8 ILE HG21 . 25540 1 68 . 1 1 8 8 ILE HG22 H 1 0.605 0.01 . 1 . . . A 8 ILE HG22 . 25540 1 69 . 1 1 8 8 ILE HG23 H 1 0.605 0.01 . 1 . . . A 8 ILE HG23 . 25540 1 70 . 1 1 8 8 ILE HD11 H 1 0.766 0.01 . 1 . . . A 8 ILE HD11 . 25540 1 71 . 1 1 8 8 ILE HD12 H 1 0.766 0.01 . 1 . . . A 8 ILE HD12 . 25540 1 72 . 1 1 8 8 ILE HD13 H 1 0.766 0.01 . 1 . . . A 8 ILE HD13 . 25540 1 73 . 1 1 8 8 ILE C C 13 175.220 0.05 . 1 . . . A 8 ILE C . 25540 1 74 . 1 1 8 8 ILE CA C 13 59.884 0.05 . 1 . . . A 8 ILE CA . 25540 1 75 . 1 1 8 8 ILE CB C 13 39.627 0.05 . 1 . . . A 8 ILE CB . 25540 1 76 . 1 1 8 8 ILE CG1 C 13 28.981 0.05 . 1 . . . A 8 ILE CG1 . 25540 1 77 . 1 1 8 8 ILE CG2 C 13 17.295 0.05 . 1 . . . A 8 ILE CG2 . 25540 1 78 . 1 1 8 8 ILE CD1 C 13 13.717 0.05 . 1 . . . A 8 ILE CD1 . 25540 1 79 . 1 1 8 8 ILE N N 15 125.532 0.05 . 1 . . . A 8 ILE N . 25540 1 80 . 1 1 9 9 PHE H H 1 8.459 0.01 . 1 . . . A 9 PHE H . 25540 1 81 . 1 1 9 9 PHE HA H 1 4.300 0.01 . 1 . . . A 9 PHE HA . 25540 1 82 . 1 1 9 9 PHE HB2 H 1 1.117 0.01 . 2 . . . A 9 PHE HB2 . 25540 1 83 . 1 1 9 9 PHE HB3 H 1 0.246 0.01 . 2 . . . A 9 PHE HB3 . 25540 1 84 . 1 1 9 9 PHE HD1 H 1 6.196 0.01 . 3 . . . A 9 PHE HD1 . 25540 1 85 . 1 1 9 9 PHE HD2 H 1 6.196 0.01 . 3 . . . A 9 PHE HD2 . 25540 1 86 . 1 1 9 9 PHE HE1 H 1 6.589 0.01 . 1 . . . A 9 PHE HE1 . 25540 1 87 . 1 1 9 9 PHE HE2 H 1 6.589 0.01 . 1 . . . A 9 PHE HE2 . 25540 1 88 . 1 1 9 9 PHE HZ H 1 6.352 0.01 . 1 . . . A 9 PHE HZ . 25540 1 89 . 1 1 9 9 PHE C C 13 173.883 0.05 . 1 . . . A 9 PHE C . 25540 1 90 . 1 1 9 9 PHE CA C 13 56.269 0.05 . 1 . . . A 9 PHE CA . 25540 1 91 . 1 1 9 9 PHE CB C 13 39.568 0.05 . 1 . . . A 9 PHE CB . 25540 1 92 . 1 1 9 9 PHE CD1 C 13 132.044 0.05 . 3 . . . A 9 PHE CD1 . 25540 1 93 . 1 1 9 9 PHE CD2 C 13 132.044 0.05 . 3 . . . A 9 PHE CD2 . 25540 1 94 . 1 1 9 9 PHE CE1 C 13 129.950 0.05 . 3 . . . A 9 PHE CE1 . 25540 1 95 . 1 1 9 9 PHE CE2 C 13 129.950 0.05 . 3 . . . A 9 PHE CE2 . 25540 1 96 . 1 1 9 9 PHE CZ C 13 128.332 0.05 . 1 . . . A 9 PHE CZ . 25540 1 97 . 1 1 9 9 PHE N N 15 128.767 0.05 . 1 . . . A 9 PHE N . 25540 1 98 . 1 1 10 10 GLU H H 1 8.781 0.01 . 1 . . . A 10 GLU H . 25540 1 99 . 1 1 10 10 GLU HA H 1 3.189 0.01 . 1 . . . A 10 GLU HA . 25540 1 100 . 1 1 10 10 GLU HB2 H 1 1.192 0.01 . 2 . . . A 10 GLU HB2 . 25540 1 101 . 1 1 10 10 GLU HB3 H 1 1.572 0.01 . 2 . . . A 10 GLU HB3 . 25540 1 102 . 1 1 10 10 GLU HG2 H 1 0.617 0.01 . 2 . . . A 10 GLU HG2 . 25540 1 103 . 1 1 10 10 GLU HG3 H 1 1.054 0.01 . 2 . . . A 10 GLU HG3 . 25540 1 104 . 1 1 10 10 GLU C C 13 175.160 0.05 . 1 . . . A 10 GLU C . 25540 1 105 . 1 1 10 10 GLU CA C 13 56.736 0.05 . 1 . . . A 10 GLU CA . 25540 1 106 . 1 1 10 10 GLU CB C 13 26.787 0.05 . 1 . . . A 10 GLU CB . 25540 1 107 . 1 1 10 10 GLU CG C 13 35.107 0.05 . 1 . . . A 10 GLU CG . 25540 1 108 . 1 1 10 10 GLU N N 15 126.457 0.05 . 1 . . . A 10 GLU N . 25540 1 109 . 1 1 11 11 LYS H H 1 7.943 0.01 . 1 . . . A 11 LYS H . 25540 1 110 . 1 1 11 11 LYS HA H 1 3.392 0.01 . 1 . . . A 11 LYS HA . 25540 1 111 . 1 1 11 11 LYS HB2 H 1 1.945 0.01 . 2 . . . A 11 LYS HB2 . 25540 1 112 . 1 1 11 11 LYS HB3 H 1 2.194 0.01 . 2 . . . A 11 LYS HB3 . 25540 1 113 . 1 1 11 11 LYS HG2 H 1 1.160 0.01 . 2 . . . A 11 LYS HG2 . 25540 1 114 . 1 1 11 11 LYS HG3 H 1 1.190 0.01 . 2 . . . A 11 LYS HG3 . 25540 1 115 . 1 1 11 11 LYS HD2 H 1 1.542 0.01 . 2 . . . A 11 LYS HD2 . 25540 1 116 . 1 1 11 11 LYS HD3 H 1 1.613 0.01 . 2 . . . A 11 LYS HD3 . 25540 1 117 . 1 1 11 11 LYS HE2 H 1 2.878 0.01 . 2 . . . A 11 LYS HE2 . 25540 1 118 . 1 1 11 11 LYS HE3 H 1 2.878 0.01 . 2 . . . A 11 LYS HE3 . 25540 1 119 . 1 1 11 11 LYS C C 13 175.487 0.05 . 1 . . . A 11 LYS C . 25540 1 120 . 1 1 11 11 LYS CA C 13 58.485 0.05 . 1 . . . A 11 LYS CA . 25540 1 121 . 1 1 11 11 LYS CB C 13 30.123 0.05 . 1 . . . A 11 LYS CB . 25540 1 122 . 1 1 11 11 LYS CG C 13 25.670 0.05 . 1 . . . A 11 LYS CG . 25540 1 123 . 1 1 11 11 LYS CD C 13 29.266 0.05 . 1 . . . A 11 LYS CD . 25540 1 124 . 1 1 11 11 LYS CE C 13 42.083 0.05 . 1 . . . A 11 LYS CE . 25540 1 125 . 1 1 11 11 LYS N N 15 105.522 0.05 . 1 . . . A 11 LYS N . 25540 1 126 . 1 1 12 12 VAL H H 1 7.928 0.01 . 1 . . . A 12 VAL H . 25540 1 127 . 1 1 12 12 VAL HA H 1 4.410 0.01 . 1 . . . A 12 VAL HA . 25540 1 128 . 1 1 12 12 VAL HB H 1 2.541 0.01 . 1 . . . A 12 VAL HB . 25540 1 129 . 1 1 12 12 VAL HG11 H 1 1.131 0.01 . 2 . . . A 12 VAL HG11 . 25540 1 130 . 1 1 12 12 VAL HG12 H 1 1.131 0.01 . 2 . . . A 12 VAL HG12 . 25540 1 131 . 1 1 12 12 VAL HG13 H 1 1.131 0.01 . 2 . . . A 12 VAL HG13 . 25540 1 132 . 1 1 12 12 VAL HG21 H 1 1.479 0.01 . 2 . . . A 12 VAL HG21 . 25540 1 133 . 1 1 12 12 VAL HG22 H 1 1.479 0.01 . 2 . . . A 12 VAL HG22 . 25540 1 134 . 1 1 12 12 VAL HG23 H 1 1.479 0.01 . 2 . . . A 12 VAL HG23 . 25540 1 135 . 1 1 12 12 VAL C C 13 175.056 0.05 . 1 . . . A 12 VAL C . 25540 1 136 . 1 1 12 12 VAL CA C 13 61.731 0.05 . 1 . . . A 12 VAL CA . 25540 1 137 . 1 1 12 12 VAL CB C 13 34.285 0.05 . 1 . . . A 12 VAL CB . 25540 1 138 . 1 1 12 12 VAL CG1 C 13 22.485 0.05 . 2 . . . A 12 VAL CG1 . 25540 1 139 . 1 1 12 12 VAL CG2 C 13 22.382 0.05 . 2 . . . A 12 VAL CG2 . 25540 1 140 . 1 1 12 12 VAL N N 15 123.689 0.05 . 1 . . . A 12 VAL N . 25540 1 141 . 1 1 13 13 SER H H 1 8.876 0.01 . 1 . . . A 13 SER H . 25540 1 142 . 1 1 13 13 SER HA H 1 4.622 0.01 . 1 . . . A 13 SER HA . 25540 1 143 . 1 1 13 13 SER HB2 H 1 4.004 0.01 . 2 . . . A 13 SER HB2 . 25540 1 144 . 1 1 13 13 SER HB3 H 1 4.004 0.01 . 2 . . . A 13 SER HB3 . 25540 1 145 . 1 1 13 13 SER C C 13 175.300 0.05 . 1 . . . A 13 SER C . 25540 1 146 . 1 1 13 13 SER CA C 13 59.802 0.05 . 1 . . . A 13 SER CA . 25540 1 147 . 1 1 13 13 SER CB C 13 63.802 0.05 . 1 . . . A 13 SER CB . 25540 1 148 . 1 1 13 13 SER N N 15 121.836 0.05 . 1 . . . A 13 SER N . 25540 1 149 . 1 1 14 14 GLY H H 1 8.293 0.01 . 1 . . . A 14 GLY H . 25540 1 150 . 1 1 14 14 GLY HA2 H 1 4.351 0.01 . 2 . . . A 14 GLY HA2 . 25540 1 151 . 1 1 14 14 GLY HA3 H 1 4.165 0.01 . 2 . . . A 14 GLY HA3 . 25540 1 152 . 1 1 14 14 GLY C C 13 172.710 0.05 . 1 . . . A 14 GLY C . 25540 1 153 . 1 1 14 14 GLY CA C 13 46.539 0.05 . 1 . . . A 14 GLY CA . 25540 1 154 . 1 1 14 14 GLY N N 15 113.163 0.05 . 1 . . . A 14 GLY N . 25540 1 155 . 1 1 15 15 ILE H H 1 8.312 0.01 . 1 . . . A 15 ILE H . 25540 1 156 . 1 1 15 15 ILE HA H 1 4.816 0.01 . 1 . . . A 15 ILE HA . 25540 1 157 . 1 1 15 15 ILE HB H 1 1.621 0.01 . 1 . . . A 15 ILE HB . 25540 1 158 . 1 1 15 15 ILE HG12 H 1 1.090 0.01 . 2 . . . A 15 ILE HG12 . 25540 1 159 . 1 1 15 15 ILE HG13 H 1 1.364 0.01 . 2 . . . A 15 ILE HG13 . 25540 1 160 . 1 1 15 15 ILE HG21 H 1 0.774 0.01 . 1 . . . A 15 ILE HG21 . 25540 1 161 . 1 1 15 15 ILE HG22 H 1 0.774 0.01 . 1 . . . A 15 ILE HG22 . 25540 1 162 . 1 1 15 15 ILE HG23 H 1 0.774 0.01 . 1 . . . A 15 ILE HG23 . 25540 1 163 . 1 1 15 15 ILE HD11 H 1 0.773 0.01 . 1 . . . A 15 ILE HD11 . 25540 1 164 . 1 1 15 15 ILE HD12 H 1 0.773 0.01 . 1 . . . A 15 ILE HD12 . 25540 1 165 . 1 1 15 15 ILE HD13 H 1 0.773 0.01 . 1 . . . A 15 ILE HD13 . 25540 1 166 . 1 1 15 15 ILE C C 13 175.337 0.05 . 1 . . . A 15 ILE C . 25540 1 167 . 1 1 15 15 ILE CA C 13 59.289 0.05 . 1 . . . A 15 ILE CA . 25540 1 168 . 1 1 15 15 ILE CB C 13 41.576 0.05 . 1 . . . A 15 ILE CB . 25540 1 169 . 1 1 15 15 ILE CG1 C 13 27.360 0.05 . 1 . . . A 15 ILE CG1 . 25540 1 170 . 1 1 15 15 ILE CG2 C 13 17.386 0.05 . 1 . . . A 15 ILE CG2 . 25540 1 171 . 1 1 15 15 ILE CD1 C 13 12.048 0.05 . 1 . . . A 15 ILE CD1 . 25540 1 172 . 1 1 15 15 ILE N N 15 123.187 0.05 . 1 . . . A 15 ILE N . 25540 1 173 . 1 1 16 16 ILE H H 1 9.437 0.01 . 1 . . . A 16 ILE H . 25540 1 174 . 1 1 16 16 ILE HA H 1 4.984 0.01 . 1 . . . A 16 ILE HA . 25540 1 175 . 1 1 16 16 ILE HB H 1 1.631 0.01 . 1 . . . A 16 ILE HB . 25540 1 176 . 1 1 16 16 ILE HG12 H 1 1.535 0.01 . 2 . . . A 16 ILE HG12 . 25540 1 177 . 1 1 16 16 ILE HG13 H 1 0.772 0.01 . 2 . . . A 16 ILE HG13 . 25540 1 178 . 1 1 16 16 ILE HG21 H 1 0.787 0.01 . 1 . . . A 16 ILE HG21 . 25540 1 179 . 1 1 16 16 ILE HG22 H 1 0.787 0.01 . 1 . . . A 16 ILE HG22 . 25540 1 180 . 1 1 16 16 ILE HG23 H 1 0.787 0.01 . 1 . . . A 16 ILE HG23 . 25540 1 181 . 1 1 16 16 ILE HD11 H 1 0.128 0.01 . 1 . . . A 16 ILE HD11 . 25540 1 182 . 1 1 16 16 ILE HD12 H 1 0.128 0.01 . 1 . . . A 16 ILE HD12 . 25540 1 183 . 1 1 16 16 ILE HD13 H 1 0.128 0.01 . 1 . . . A 16 ILE HD13 . 25540 1 184 . 1 1 16 16 ILE C C 13 173.174 0.05 . 1 . . . A 16 ILE C . 25540 1 185 . 1 1 16 16 ILE CA C 13 59.710 0.05 . 1 . . . A 16 ILE CA . 25540 1 186 . 1 1 16 16 ILE CB C 13 41.731 0.05 . 1 . . . A 16 ILE CB . 25540 1 187 . 1 1 16 16 ILE CG1 C 13 29.758 0.05 . 1 . . . A 16 ILE CG1 . 25540 1 188 . 1 1 16 16 ILE CG2 C 13 16.661 0.05 . 1 . . . A 16 ILE CG2 . 25540 1 189 . 1 1 16 16 ILE CD1 C 13 13.846 0.05 . 1 . . . A 16 ILE CD1 . 25540 1 190 . 1 1 16 16 ILE N N 15 127.686 0.05 . 1 . . . A 16 ILE N . 25540 1 191 . 1 1 17 17 ALA H H 1 8.967 0.01 . 1 . . . A 17 ALA H . 25540 1 192 . 1 1 17 17 ALA HA H 1 5.085 0.01 . 1 . . . A 17 ALA HA . 25540 1 193 . 1 1 17 17 ALA HB1 H 1 1.350 0.01 . 1 . . . A 17 ALA HB1 . 25540 1 194 . 1 1 17 17 ALA HB2 H 1 1.350 0.01 . 1 . . . A 17 ALA HB2 . 25540 1 195 . 1 1 17 17 ALA HB3 H 1 1.350 0.01 . 1 . . . A 17 ALA HB3 . 25540 1 196 . 1 1 17 17 ALA C C 13 176.150 0.05 . 1 . . . A 17 ALA C . 25540 1 197 . 1 1 17 17 ALA CA C 13 51.438 0.05 . 1 . . . A 17 ALA CA . 25540 1 198 . 1 1 17 17 ALA CB C 13 22.193 0.05 . 1 . . . A 17 ALA CB . 25540 1 199 . 1 1 17 17 ALA N N 15 127.685 0.05 . 1 . . . A 17 ALA N . 25540 1 200 . 1 1 18 18 ILE H H 1 8.671 0.01 . 1 . . . A 18 ILE H . 25540 1 201 . 1 1 18 18 ILE HA H 1 4.605 0.01 . 1 . . . A 18 ILE HA . 25540 1 202 . 1 1 18 18 ILE HB H 1 1.807 0.01 . 1 . . . A 18 ILE HB . 25540 1 203 . 1 1 18 18 ILE HG12 H 1 0.874 0.01 . 2 . . . A 18 ILE HG12 . 25540 1 204 . 1 1 18 18 ILE HG13 H 1 1.528 0.01 . 2 . . . A 18 ILE HG13 . 25540 1 205 . 1 1 18 18 ILE HG21 H 1 0.691 0.01 . 1 . . . A 18 ILE HG21 . 25540 1 206 . 1 1 18 18 ILE HG22 H 1 0.691 0.01 . 1 . . . A 18 ILE HG22 . 25540 1 207 . 1 1 18 18 ILE HG23 H 1 0.691 0.01 . 1 . . . A 18 ILE HG23 . 25540 1 208 . 1 1 18 18 ILE HD11 H 1 0.794 0.01 . 1 . . . A 18 ILE HD11 . 25540 1 209 . 1 1 18 18 ILE HD12 H 1 0.794 0.01 . 1 . . . A 18 ILE HD12 . 25540 1 210 . 1 1 18 18 ILE HD13 H 1 0.794 0.01 . 1 . . . A 18 ILE HD13 . 25540 1 211 . 1 1 18 18 ILE C C 13 174.221 0.05 . 1 . . . A 18 ILE C . 25540 1 212 . 1 1 18 18 ILE CA C 13 60.623 0.05 . 1 . . . A 18 ILE CA . 25540 1 213 . 1 1 18 18 ILE CB C 13 39.112 0.05 . 1 . . . A 18 ILE CB . 25540 1 214 . 1 1 18 18 ILE CG1 C 13 28.577 0.05 . 1 . . . A 18 ILE CG1 . 25540 1 215 . 1 1 18 18 ILE CG2 C 13 18.034 0.05 . 1 . . . A 18 ILE CG2 . 25540 1 216 . 1 1 18 18 ILE CD1 C 13 14.948 0.05 . 1 . . . A 18 ILE CD1 . 25540 1 217 . 1 1 18 18 ILE N N 15 122.208 0.05 . 1 . . . A 18 ILE N . 25540 1 218 . 1 1 19 19 ASN H H 1 9.368 0.01 . 1 . . . A 19 ASN H . 25540 1 219 . 1 1 19 19 ASN HA H 1 5.056 0.01 . 1 . . . A 19 ASN HA . 25540 1 220 . 1 1 19 19 ASN HB2 H 1 2.734 0.01 . 2 . . . A 19 ASN HB2 . 25540 1 221 . 1 1 19 19 ASN HB3 H 1 3.109 0.01 . 2 . . . A 19 ASN HB3 . 25540 1 222 . 1 1 19 19 ASN HD21 H 1 6.838 0.01 . 2 . . . A 19 ASN HD21 . 25540 1 223 . 1 1 19 19 ASN HD22 H 1 7.702 0.01 . 2 . . . A 19 ASN HD22 . 25540 1 224 . 1 1 19 19 ASN C C 13 174.699 0.05 . 1 . . . A 19 ASN C . 25540 1 225 . 1 1 19 19 ASN CA C 13 51.628 0.05 . 1 . . . A 19 ASN CA . 25540 1 226 . 1 1 19 19 ASN CB C 13 39.483 0.05 . 1 . . . A 19 ASN CB . 25540 1 227 . 1 1 19 19 ASN N N 15 127.465 0.05 . 1 . . . A 19 ASN N . 25540 1 228 . 1 1 19 19 ASN ND2 N 15 110.774 0.05 . 1 . . . A 19 ASN ND2 . 25540 1 229 . 1 1 20 20 GLU H H 1 9.037 0.01 . 1 . . . A 20 GLU H . 25540 1 230 . 1 1 20 20 GLU HA H 1 4.679 0.01 . 1 . . . A 20 GLU HA . 25540 1 231 . 1 1 20 20 GLU HB2 H 1 2.408 0.01 . 2 . . . A 20 GLU HB2 . 25540 1 232 . 1 1 20 20 GLU HB3 H 1 1.990 0.01 . 2 . . . A 20 GLU HB3 . 25540 1 233 . 1 1 20 20 GLU HG2 H 1 2.185 0.01 . 2 . . . A 20 GLU HG2 . 25540 1 234 . 1 1 20 20 GLU HG3 H 1 2.061 0.01 . 2 . . . A 20 GLU HG3 . 25540 1 235 . 1 1 20 20 GLU C C 13 176.086 0.05 . 1 . . . A 20 GLU C . 25540 1 236 . 1 1 20 20 GLU CA C 13 55.821 0.05 . 1 . . . A 20 GLU CA . 25540 1 237 . 1 1 20 20 GLU CB C 13 30.862 0.05 . 1 . . . A 20 GLU CB . 25540 1 238 . 1 1 20 20 GLU CG C 13 38.873 0.05 . 1 . . . A 20 GLU CG . 25540 1 239 . 1 1 20 20 GLU N N 15 121.531 0.05 . 1 . . . A 20 GLU N . 25540 1 240 . 1 1 21 21 ASP H H 1 8.718 0.01 . 1 . . . A 21 ASP H . 25540 1 241 . 1 1 21 21 ASP HA H 1 4.617 0.01 . 1 . . . A 21 ASP HA . 25540 1 242 . 1 1 21 21 ASP HB2 H 1 2.806 0.01 . 2 . . . A 21 ASP HB2 . 25540 1 243 . 1 1 21 21 ASP HB3 H 1 2.866 0.01 . 2 . . . A 21 ASP HB3 . 25540 1 244 . 1 1 21 21 ASP C C 13 175.619 0.05 . 1 . . . A 21 ASP C . 25540 1 245 . 1 1 21 21 ASP CA C 13 55.514 0.05 . 1 . . . A 21 ASP CA . 25540 1 246 . 1 1 21 21 ASP CB C 13 40.466 0.05 . 1 . . . A 21 ASP CB . 25540 1 247 . 1 1 21 21 ASP N N 15 121.027 0.05 . 1 . . . A 21 ASP N . 25540 1 248 . 1 1 22 22 VAL H H 1 6.836 0.01 . 1 . . . A 22 VAL H . 25540 1 249 . 1 1 22 22 VAL HA H 1 4.314 0.01 . 1 . . . A 22 VAL HA . 25540 1 250 . 1 1 22 22 VAL HB H 1 2.003 0.01 . 1 . . . A 22 VAL HB . 25540 1 251 . 1 1 22 22 VAL HG11 H 1 0.828 0.01 . 2 . . . A 22 VAL HG11 . 25540 1 252 . 1 1 22 22 VAL HG12 H 1 0.828 0.01 . 2 . . . A 22 VAL HG12 . 25540 1 253 . 1 1 22 22 VAL HG13 H 1 0.828 0.01 . 2 . . . A 22 VAL HG13 . 25540 1 254 . 1 1 22 22 VAL HG21 H 1 0.776 0.01 . 2 . . . A 22 VAL HG21 . 25540 1 255 . 1 1 22 22 VAL HG22 H 1 0.776 0.01 . 2 . . . A 22 VAL HG22 . 25540 1 256 . 1 1 22 22 VAL HG23 H 1 0.776 0.01 . 2 . . . A 22 VAL HG23 . 25540 1 257 . 1 1 22 22 VAL C C 13 173.348 0.05 . 1 . . . A 22 VAL C . 25540 1 258 . 1 1 22 22 VAL CA C 13 59.105 0.05 . 1 . . . A 22 VAL CA . 25540 1 259 . 1 1 22 22 VAL CB C 13 33.997 0.05 . 1 . . . A 22 VAL CB . 25540 1 260 . 1 1 22 22 VAL CG1 C 13 18.016 0.05 . 2 . . . A 22 VAL CG1 . 25540 1 261 . 1 1 22 22 VAL CG2 C 13 21.230 0.05 . 2 . . . A 22 VAL CG2 . 25540 1 262 . 1 1 22 22 VAL N N 15 112.994 0.05 . 1 . . . A 22 VAL N . 25540 1 263 . 1 1 23 23 SER H H 1 8.037 0.01 . 1 . . . A 23 SER H . 25540 1 264 . 1 1 23 23 SER HA H 1 4.727 0.01 . 1 . . . A 23 SER HA . 25540 1 265 . 1 1 23 23 SER HB2 H 1 3.599 0.01 . 2 . . . A 23 SER HB2 . 25540 1 266 . 1 1 23 23 SER HB3 H 1 3.726 0.01 . 2 . . . A 23 SER HB3 . 25540 1 267 . 1 1 23 23 SER CA C 13 53.980 0.05 . 1 . . . A 23 SER CA . 25540 1 268 . 1 1 23 23 SER CB C 13 64.760 0.05 . 1 . . . A 23 SER CB . 25540 1 269 . 1 1 23 23 SER N N 15 114.901 0.05 . 1 . . . A 23 SER N . 25540 1 270 . 1 1 24 24 PRO HA H 1 4.759 0.01 . 1 . . . A 24 PRO HA . 25540 1 271 . 1 1 24 24 PRO HB2 H 1 2.167 0.01 . 2 . . . A 24 PRO HB2 . 25540 1 272 . 1 1 24 24 PRO HB3 H 1 2.167 0.01 . 2 . . . A 24 PRO HB3 . 25540 1 273 . 1 1 24 24 PRO HG2 H 1 1.776 0.01 . 2 . . . A 24 PRO HG2 . 25540 1 274 . 1 1 24 24 PRO HG3 H 1 1.832 0.01 . 2 . . . A 24 PRO HG3 . 25540 1 275 . 1 1 24 24 PRO HD2 H 1 3.472 0.01 . 2 . . . A 24 PRO HD2 . 25540 1 276 . 1 1 24 24 PRO HD3 H 1 3.472 0.01 . 2 . . . A 24 PRO HD3 . 25540 1 277 . 1 1 24 24 PRO C C 13 174.725 0.05 . 1 . . . A 24 PRO C . 25540 1 278 . 1 1 24 24 PRO CA C 13 62.802 0.05 . 1 . . . A 24 PRO CA . 25540 1 279 . 1 1 24 24 PRO CB C 13 34.717 0.05 . 1 . . . A 24 PRO CB . 25540 1 280 . 1 1 24 24 PRO CG C 13 25.913 0.05 . 1 . . . A 24 PRO CG . 25540 1 281 . 1 1 24 24 PRO CD C 13 49.671 0.05 . 1 . . . A 24 PRO CD . 25540 1 282 . 1 1 25 25 ALA H H 1 7.976 0.01 . 1 . . . A 25 ALA H . 25540 1 283 . 1 1 25 25 ALA HA H 1 4.505 0.01 . 1 . . . A 25 ALA HA . 25540 1 284 . 1 1 25 25 ALA HB1 H 1 1.535 0.01 . 1 . . . A 25 ALA HB1 . 25540 1 285 . 1 1 25 25 ALA HB2 H 1 1.535 0.01 . 1 . . . A 25 ALA HB2 . 25540 1 286 . 1 1 25 25 ALA HB3 H 1 1.535 0.01 . 1 . . . A 25 ALA HB3 . 25540 1 287 . 1 1 25 25 ALA C C 13 175.721 0.05 . 1 . . . A 25 ALA C . 25540 1 288 . 1 1 25 25 ALA CA C 13 52.529 0.05 . 1 . . . A 25 ALA CA . 25540 1 289 . 1 1 25 25 ALA CB C 13 20.511 0.05 . 1 . . . A 25 ALA CB . 25540 1 290 . 1 1 25 25 ALA N N 15 120.409 0.05 . 1 . . . A 25 ALA N . 25540 1 291 . 1 1 26 26 GLU H H 1 7.847 0.01 . 1 . . . A 26 GLU H . 25540 1 292 . 1 1 26 26 GLU HA H 1 5.044 0.01 . 1 . . . A 26 GLU HA . 25540 1 293 . 1 1 26 26 GLU HB2 H 1 1.986 0.01 . 2 . . . A 26 GLU HB2 . 25540 1 294 . 1 1 26 26 GLU HB3 H 1 1.749 0.01 . 2 . . . A 26 GLU HB3 . 25540 1 295 . 1 1 26 26 GLU HG2 H 1 2.346 0.01 . 2 . . . A 26 GLU HG2 . 25540 1 296 . 1 1 26 26 GLU HG3 H 1 2.002 0.01 . 2 . . . A 26 GLU HG3 . 25540 1 297 . 1 1 26 26 GLU C C 13 174.523 0.05 . 1 . . . A 26 GLU C . 25540 1 298 . 1 1 26 26 GLU CA C 13 54.015 0.05 . 1 . . . A 26 GLU CA . 25540 1 299 . 1 1 26 26 GLU CB C 13 34.441 0.05 . 1 . . . A 26 GLU CB . 25540 1 300 . 1 1 26 26 GLU CG C 13 36.130 0.05 . 1 . . . A 26 GLU CG . 25540 1 301 . 1 1 26 26 GLU N N 15 115.349 0.05 . 1 . . . A 26 GLU N . 25540 1 302 . 1 1 27 27 LEU H H 1 8.892 0.01 . 1 . . . A 27 LEU H . 25540 1 303 . 1 1 27 27 LEU HA H 1 5.043 0.01 . 1 . . . A 27 LEU HA . 25540 1 304 . 1 1 27 27 LEU HB2 H 1 1.641 0.01 . 2 . . . A 27 LEU HB2 . 25540 1 305 . 1 1 27 27 LEU HB3 H 1 1.372 0.01 . 2 . . . A 27 LEU HB3 . 25540 1 306 . 1 1 27 27 LEU HG H 1 1.384 0.01 . 1 . . . A 27 LEU HG . 25540 1 307 . 1 1 27 27 LEU HD11 H 1 0.598 0.01 . 2 . . . A 27 LEU HD11 . 25540 1 308 . 1 1 27 27 LEU HD12 H 1 0.598 0.01 . 2 . . . A 27 LEU HD12 . 25540 1 309 . 1 1 27 27 LEU HD13 H 1 0.598 0.01 . 2 . . . A 27 LEU HD13 . 25540 1 310 . 1 1 27 27 LEU HD21 H 1 0.572 0.01 . 2 . . . A 27 LEU HD21 . 25540 1 311 . 1 1 27 27 LEU HD22 H 1 0.572 0.01 . 2 . . . A 27 LEU HD22 . 25540 1 312 . 1 1 27 27 LEU HD23 H 1 0.572 0.01 . 2 . . . A 27 LEU HD23 . 25540 1 313 . 1 1 27 27 LEU C C 13 174.666 0.05 . 1 . . . A 27 LEU C . 25540 1 314 . 1 1 27 27 LEU CA C 13 53.724 0.05 . 1 . . . A 27 LEU CA . 25540 1 315 . 1 1 27 27 LEU CB C 13 45.693 0.05 . 1 . . . A 27 LEU CB . 25540 1 316 . 1 1 27 27 LEU CG C 13 27.234 0.05 . 1 . . . A 27 LEU CG . 25540 1 317 . 1 1 27 27 LEU CD1 C 13 26.019 0.05 . 2 . . . A 27 LEU CD1 . 25540 1 318 . 1 1 27 27 LEU CD2 C 13 25.633 0.05 . 2 . . . A 27 LEU CD2 . 25540 1 319 . 1 1 27 27 LEU N N 15 124.629 0.05 . 1 . . . A 27 LEU N . 25540 1 320 . 1 1 28 28 THR H H 1 9.287 0.01 . 1 . . . A 28 THR H . 25540 1 321 . 1 1 28 28 THR HA H 1 5.195 0.01 . 1 . . . A 28 THR HA . 25540 1 322 . 1 1 28 28 THR HB H 1 3.946 0.01 . 1 . . . A 28 THR HB . 25540 1 323 . 1 1 28 28 THR HG21 H 1 1.121 0.01 . 1 . . . A 28 THR HG21 . 25540 1 324 . 1 1 28 28 THR HG22 H 1 1.121 0.01 . 1 . . . A 28 THR HG22 . 25540 1 325 . 1 1 28 28 THR HG23 H 1 1.121 0.01 . 1 . . . A 28 THR HG23 . 25540 1 326 . 1 1 28 28 THR C C 13 172.580 0.05 . 1 . . . A 28 THR C . 25540 1 327 . 1 1 28 28 THR CA C 13 61.093 0.05 . 1 . . . A 28 THR CA . 25540 1 328 . 1 1 28 28 THR CB C 13 71.437 0.05 . 1 . . . A 28 THR CB . 25540 1 329 . 1 1 28 28 THR CG2 C 13 21.958 0.05 . 1 . . . A 28 THR CG2 . 25540 1 330 . 1 1 28 28 THR N N 15 121.622 0.05 . 1 . . . A 28 THR N . 25540 1 331 . 1 1 29 29 TRP H H 1 9.417 0.01 . 1 . . . A 29 TRP H . 25540 1 332 . 1 1 29 29 TRP HA H 1 5.444 0.01 . 1 . . . A 29 TRP HA . 25540 1 333 . 1 1 29 29 TRP HB2 H 1 3.181 0.01 . 2 . . . A 29 TRP HB2 . 25540 1 334 . 1 1 29 29 TRP HB3 H 1 2.827 0.01 . 2 . . . A 29 TRP HB3 . 25540 1 335 . 1 1 29 29 TRP HD1 H 1 6.676 0.01 . 1 . . . A 29 TRP HD1 . 25540 1 336 . 1 1 29 29 TRP HE1 H 1 9.518 0.01 . 1 . . . A 29 TRP HE1 . 25540 1 337 . 1 1 29 29 TRP HE3 H 1 7.300 0.01 . 1 . . . A 29 TRP HE3 . 25540 1 338 . 1 1 29 29 TRP HZ2 H 1 7.642 0.01 . 1 . . . A 29 TRP HZ2 . 25540 1 339 . 1 1 29 29 TRP HZ3 H 1 6.916 0.01 . 1 . . . A 29 TRP HZ3 . 25540 1 340 . 1 1 29 29 TRP HH2 H 1 7.105 0.01 . 1 . . . A 29 TRP HH2 . 25540 1 341 . 1 1 29 29 TRP C C 13 173.841 0.05 . 1 . . . A 29 TRP C . 25540 1 342 . 1 1 29 29 TRP CA C 13 55.788 0.05 . 1 . . . A 29 TRP CA . 25540 1 343 . 1 1 29 29 TRP CB C 13 32.170 0.05 . 1 . . . A 29 TRP CB . 25540 1 344 . 1 1 29 29 TRP CD1 C 13 124.544 0.05 . 1 . . . A 29 TRP CD1 . 25540 1 345 . 1 1 29 29 TRP CE3 C 13 120.751 0.05 . 1 . . . A 29 TRP CE3 . 25540 1 346 . 1 1 29 29 TRP CZ2 C 13 114.814 0.05 . 1 . . . A 29 TRP CZ2 . 25540 1 347 . 1 1 29 29 TRP CZ3 C 13 122.024 0.05 . 1 . . . A 29 TRP CZ3 . 25540 1 348 . 1 1 29 29 TRP CH2 C 13 124.664 0.05 . 1 . . . A 29 TRP CH2 . 25540 1 349 . 1 1 29 29 TRP N N 15 128.858 0.05 . 1 . . . A 29 TRP N . 25540 1 350 . 1 1 29 29 TRP NE1 N 15 126.276 0.05 . 1 . . . A 29 TRP NE1 . 25540 1 351 . 1 1 30 30 ARG H H 1 7.606 0.01 . 1 . . . A 30 ARG H . 25540 1 352 . 1 1 30 30 ARG HA H 1 4.821 0.01 . 1 . . . A 30 ARG HA . 25540 1 353 . 1 1 30 30 ARG HB2 H 1 1.413 0.01 . 2 . . . A 30 ARG HB2 . 25540 1 354 . 1 1 30 30 ARG HB3 H 1 1.532 0.01 . 2 . . . A 30 ARG HB3 . 25540 1 355 . 1 1 30 30 ARG HG2 H 1 1.440 0.01 . 2 . . . A 30 ARG HG2 . 25540 1 356 . 1 1 30 30 ARG HG3 H 1 1.440 0.01 . 2 . . . A 30 ARG HG3 . 25540 1 357 . 1 1 30 30 ARG HD2 H 1 3.088 0.01 . 2 . . . A 30 ARG HD2 . 25540 1 358 . 1 1 30 30 ARG HD3 H 1 3.030 0.01 . 2 . . . A 30 ARG HD3 . 25540 1 359 . 1 1 30 30 ARG C C 13 174.691 0.05 . 1 . . . A 30 ARG C . 25540 1 360 . 1 1 30 30 ARG CA C 13 53.280 0.05 . 1 . . . A 30 ARG CA . 25540 1 361 . 1 1 30 30 ARG CB C 13 33.787 0.05 . 1 . . . A 30 ARG CB . 25540 1 362 . 1 1 30 30 ARG CG C 13 27.301 0.05 . 1 . . . A 30 ARG CG . 25540 1 363 . 1 1 30 30 ARG CD C 13 43.255 0.05 . 1 . . . A 30 ARG CD . 25540 1 364 . 1 1 30 30 ARG N N 15 126.363 0.05 . 1 . . . A 30 ARG N . 25540 1 365 . 1 1 31 31 SER H H 1 8.092 0.01 . 1 . . . A 31 SER H . 25540 1 366 . 1 1 31 31 SER HA H 1 4.474 0.01 . 1 . . . A 31 SER HA . 25540 1 367 . 1 1 31 31 SER HB2 H 1 3.914 0.01 . 2 . . . A 31 SER HB2 . 25540 1 368 . 1 1 31 31 SER HB3 H 1 3.914 0.01 . 2 . . . A 31 SER HB3 . 25540 1 369 . 1 1 31 31 SER C C 13 176.390 0.05 . 1 . . . A 31 SER C . 25540 1 370 . 1 1 31 31 SER CA C 13 57.733 0.05 . 1 . . . A 31 SER CA . 25540 1 371 . 1 1 31 31 SER CB C 13 64.241 0.05 . 1 . . . A 31 SER CB . 25540 1 372 . 1 1 31 31 SER N N 15 118.374 0.05 . 1 . . . A 31 SER N . 25540 1 373 . 1 1 32 32 THR H H 1 8.543 0.01 . 1 . . . A 32 THR H . 25540 1 374 . 1 1 32 32 THR HA H 1 3.847 0.01 . 1 . . . A 32 THR HA . 25540 1 375 . 1 1 32 32 THR HB H 1 4.114 0.01 . 1 . . . A 32 THR HB . 25540 1 376 . 1 1 32 32 THR HG1 H 1 1.216 0.01 . 1 . . . A 32 THR HG1 . 25540 1 377 . 1 1 32 32 THR HG21 H 1 1.223 0.01 . 1 . . . A 32 THR HG21 . 25540 1 378 . 1 1 32 32 THR HG22 H 1 1.223 0.01 . 1 . . . A 32 THR HG22 . 25540 1 379 . 1 1 32 32 THR HG23 H 1 1.223 0.01 . 1 . . . A 32 THR HG23 . 25540 1 380 . 1 1 32 32 THR C C 13 175.560 0.05 . 1 . . . A 32 THR C . 25540 1 381 . 1 1 32 32 THR CA C 13 66.124 0.05 . 1 . . . A 32 THR CA . 25540 1 382 . 1 1 32 32 THR CB C 13 68.466 0.05 . 1 . . . A 32 THR CB . 25540 1 383 . 1 1 32 32 THR CG2 C 13 22.243 0.05 . 1 . . . A 32 THR CG2 . 25540 1 384 . 1 1 32 32 THR N N 15 119.285 0.05 . 1 . . . A 32 THR N . 25540 1 385 . 1 1 33 33 ASP H H 1 8.225 0.01 . 1 . . . A 33 ASP H . 25540 1 386 . 1 1 33 33 ASP HA H 1 4.620 0.01 . 1 . . . A 33 ASP HA . 25540 1 387 . 1 1 33 33 ASP HB2 H 1 2.704 0.01 . 2 . . . A 33 ASP HB2 . 25540 1 388 . 1 1 33 33 ASP HB3 H 1 2.764 0.01 . 2 . . . A 33 ASP HB3 . 25540 1 389 . 1 1 33 33 ASP C C 13 177.018 0.05 . 1 . . . A 33 ASP C . 25540 1 390 . 1 1 33 33 ASP CA C 13 54.339 0.05 . 1 . . . A 33 ASP CA . 25540 1 391 . 1 1 33 33 ASP CB C 13 41.039 0.05 . 1 . . . A 33 ASP CB . 25540 1 392 . 1 1 33 33 ASP N N 15 117.266 0.05 . 1 . . . A 33 ASP N . 25540 1 393 . 1 1 34 34 GLY H H 1 7.927 0.01 . 1 . . . A 34 GLY H . 25540 1 394 . 1 1 34 34 GLY HA2 H 1 4.127 0.01 . 2 . . . A 34 GLY HA2 . 25540 1 395 . 1 1 34 34 GLY HA3 H 1 3.515 0.01 . 2 . . . A 34 GLY HA3 . 25540 1 396 . 1 1 34 34 GLY C C 13 173.706 0.05 . 1 . . . A 34 GLY C . 25540 1 397 . 1 1 34 34 GLY CA C 13 45.385 0.05 . 1 . . . A 34 GLY CA . 25540 1 398 . 1 1 34 34 GLY N N 15 109.131 0.05 . 1 . . . A 34 GLY N . 25540 1 399 . 1 1 35 35 ASP H H 1 8.254 0.01 . 1 . . . A 35 ASP H . 25540 1 400 . 1 1 35 35 ASP HA H 1 4.510 0.01 . 1 . . . A 35 ASP HA . 25540 1 401 . 1 1 35 35 ASP HB2 H 1 2.651 0.01 . 2 . . . A 35 ASP HB2 . 25540 1 402 . 1 1 35 35 ASP HB3 H 1 2.726 0.01 . 2 . . . A 35 ASP HB3 . 25540 1 403 . 1 1 35 35 ASP C C 13 175.306 0.05 . 1 . . . A 35 ASP C . 25540 1 404 . 1 1 35 35 ASP CA C 13 54.864 0.05 . 1 . . . A 35 ASP CA . 25540 1 405 . 1 1 35 35 ASP CB C 13 41.079 0.05 . 1 . . . A 35 ASP CB . 25540 1 406 . 1 1 35 35 ASP N N 15 117.993 0.05 . 1 . . . A 35 ASP N . 25540 1 407 . 1 1 36 36 LYS H H 1 7.762 0.01 . 1 . . . A 36 LYS H . 25540 1 408 . 1 1 36 36 LYS HA H 1 4.834 0.01 . 1 . . . A 36 LYS HA . 25540 1 409 . 1 1 36 36 LYS HB2 H 1 2.182 0.01 . 2 . . . A 36 LYS HB2 . 25540 1 410 . 1 1 36 36 LYS HB3 H 1 2.182 0.01 . 2 . . . A 36 LYS HB3 . 25540 1 411 . 1 1 36 36 LYS HG2 H 1 1.611 0.01 . 2 . . . A 36 LYS HG2 . 25540 1 412 . 1 1 36 36 LYS HG3 H 1 1.738 0.01 . 2 . . . A 36 LYS HG3 . 25540 1 413 . 1 1 36 36 LYS HD2 H 1 1.981 0.01 . 2 . . . A 36 LYS HD2 . 25540 1 414 . 1 1 36 36 LYS HD3 H 1 1.981 0.01 . 2 . . . A 36 LYS HD3 . 25540 1 415 . 1 1 36 36 LYS HE2 H 1 3.176 0.01 . 2 . . . A 36 LYS HE2 . 25540 1 416 . 1 1 36 36 LYS HE3 H 1 3.176 0.01 . 2 . . . A 36 LYS HE3 . 25540 1 417 . 1 1 36 36 LYS C C 13 174.470 0.05 . 1 . . . A 36 LYS C . 25540 1 418 . 1 1 36 36 LYS CA C 13 55.514 0.05 . 1 . . . A 36 LYS CA . 25540 1 419 . 1 1 36 36 LYS CB C 13 35.770 0.05 . 1 . . . A 36 LYS CB . 25540 1 420 . 1 1 36 36 LYS CG C 13 25.333 0.05 . 1 . . . A 36 LYS CG . 25540 1 421 . 1 1 36 36 LYS CD C 13 29.273 0.05 . 1 . . . A 36 LYS CD . 25540 1 422 . 1 1 36 36 LYS CE C 13 42.182 0.05 . 1 . . . A 36 LYS CE . 25540 1 423 . 1 1 36 36 LYS N N 15 120.358 0.05 . 1 . . . A 36 LYS N . 25540 1 424 . 1 1 37 37 VAL H H 1 8.541 0.01 . 1 . . . A 37 VAL H . 25540 1 425 . 1 1 37 37 VAL HA H 1 5.266 0.01 . 1 . . . A 37 VAL HA . 25540 1 426 . 1 1 37 37 VAL HB H 1 2.012 0.01 . 1 . . . A 37 VAL HB . 25540 1 427 . 1 1 37 37 VAL HG11 H 1 0.922 0.01 . 2 . . . A 37 VAL HG11 . 25540 1 428 . 1 1 37 37 VAL HG12 H 1 0.922 0.01 . 2 . . . A 37 VAL HG12 . 25540 1 429 . 1 1 37 37 VAL HG13 H 1 0.922 0.01 . 2 . . . A 37 VAL HG13 . 25540 1 430 . 1 1 37 37 VAL HG21 H 1 0.922 0.01 . 2 . . . A 37 VAL HG21 . 25540 1 431 . 1 1 37 37 VAL HG22 H 1 0.922 0.01 . 2 . . . A 37 VAL HG22 . 25540 1 432 . 1 1 37 37 VAL HG23 H 1 0.922 0.01 . 2 . . . A 37 VAL HG23 . 25540 1 433 . 1 1 37 37 VAL C C 13 175.070 0.05 . 1 . . . A 37 VAL C . 25540 1 434 . 1 1 37 37 VAL CA C 13 60.287 0.05 . 1 . . . A 37 VAL CA . 25540 1 435 . 1 1 37 37 VAL CB C 13 35.927 0.05 . 1 . . . A 37 VAL CB . 25540 1 436 . 1 1 37 37 VAL CG1 C 13 20.882 0.05 . 2 . . . A 37 VAL CG1 . 25540 1 437 . 1 1 37 37 VAL CG2 C 13 20.873 0.05 . 2 . . . A 37 VAL CG2 . 25540 1 438 . 1 1 37 37 VAL N N 15 121.764 0.05 . 1 . . . A 37 VAL N . 25540 1 439 . 1 1 38 38 HIS H H 1 9.657 0.01 . 1 . . . A 38 HIS H . 25540 1 440 . 1 1 38 38 HIS HA H 1 5.033 0.01 . 1 . . . A 38 HIS HA . 25540 1 441 . 1 1 38 38 HIS HB2 H 1 2.748 0.01 . 2 . . . A 38 HIS HB2 . 25540 1 442 . 1 1 38 38 HIS HB3 H 1 2.823 0.01 . 2 . . . A 38 HIS HB3 . 25540 1 443 . 1 1 38 38 HIS HD2 H 1 6.121 0.01 . 1 . . . A 38 HIS HD2 . 25540 1 444 . 1 1 38 38 HIS HE1 H 1 8.746 0.01 . 1 . . . A 38 HIS HE1 . 25540 1 445 . 1 1 38 38 HIS C C 13 173.255 0.05 . 1 . . . A 38 HIS C . 25540 1 446 . 1 1 38 38 HIS CA C 13 55.786 0.05 . 1 . . . A 38 HIS CA . 25540 1 447 . 1 1 38 38 HIS CB C 13 33.911 0.05 . 1 . . . A 38 HIS CB . 25540 1 448 . 1 1 38 38 HIS CD2 C 13 117.568 0.05 . 1 . . . A 38 HIS CD2 . 25540 1 449 . 1 1 38 38 HIS CE1 C 13 138.252 0.05 . 1 . . . A 38 HIS CE1 . 25540 1 450 . 1 1 38 38 HIS N N 15 126.146 0.05 . 1 . . . A 38 HIS N . 25540 1 451 . 1 1 39 39 THR H H 1 8.409 0.01 . 1 . . . A 39 THR H . 25540 1 452 . 1 1 39 39 THR HA H 1 5.156 0.01 . 1 . . . A 39 THR HA . 25540 1 453 . 1 1 39 39 THR HB H 1 3.758 0.01 . 1 . . . A 39 THR HB . 25540 1 454 . 1 1 39 39 THR HG21 H 1 0.967 0.01 . 1 . . . A 39 THR HG21 . 25540 1 455 . 1 1 39 39 THR HG22 H 1 0.967 0.01 . 1 . . . A 39 THR HG22 . 25540 1 456 . 1 1 39 39 THR HG23 H 1 0.967 0.01 . 1 . . . A 39 THR HG23 . 25540 1 457 . 1 1 39 39 THR C C 13 173.060 0.05 . 1 . . . A 39 THR C . 25540 1 458 . 1 1 39 39 THR CA C 13 61.560 0.05 . 1 . . . A 39 THR CA . 25540 1 459 . 1 1 39 39 THR CB C 13 70.687 0.05 . 1 . . . A 39 THR CB . 25540 1 460 . 1 1 39 39 THR CG2 C 13 21.533 0.05 . 1 . . . A 39 THR CG2 . 25540 1 461 . 1 1 39 39 THR N N 15 124.391 0.05 . 1 . . . A 39 THR N . 25540 1 462 . 1 1 40 40 VAL H H 1 9.401 0.01 . 1 . . . A 40 VAL H . 25540 1 463 . 1 1 40 40 VAL HA H 1 3.942 0.01 . 1 . . . A 40 VAL HA . 25540 1 464 . 1 1 40 40 VAL HB H 1 1.800 0.01 . 1 . . . A 40 VAL HB . 25540 1 465 . 1 1 40 40 VAL HG11 H 1 0.323 0.01 . 2 . . . A 40 VAL HG11 . 25540 1 466 . 1 1 40 40 VAL HG12 H 1 0.323 0.01 . 2 . . . A 40 VAL HG12 . 25540 1 467 . 1 1 40 40 VAL HG13 H 1 0.323 0.01 . 2 . . . A 40 VAL HG13 . 25540 1 468 . 1 1 40 40 VAL HG21 H 1 0.352 0.01 . 2 . . . A 40 VAL HG21 . 25540 1 469 . 1 1 40 40 VAL HG22 H 1 0.352 0.01 . 2 . . . A 40 VAL HG22 . 25540 1 470 . 1 1 40 40 VAL HG23 H 1 0.352 0.01 . 2 . . . A 40 VAL HG23 . 25540 1 471 . 1 1 40 40 VAL C C 13 174.674 0.05 . 1 . . . A 40 VAL C . 25540 1 472 . 1 1 40 40 VAL CA C 13 60.322 0.05 . 1 . . . A 40 VAL CA . 25540 1 473 . 1 1 40 40 VAL CB C 13 34.328 0.05 . 1 . . . A 40 VAL CB . 25540 1 474 . 1 1 40 40 VAL CG1 C 13 21.256 0.05 . 2 . . . A 40 VAL CG1 . 25540 1 475 . 1 1 40 40 VAL CG2 C 13 19.942 0.05 . 2 . . . A 40 VAL CG2 . 25540 1 476 . 1 1 40 40 VAL N N 15 125.985 0.05 . 1 . . . A 40 VAL N . 25540 1 477 . 1 1 41 41 VAL H H 1 9.037 0.01 . 1 . . . A 41 VAL H . 25540 1 478 . 1 1 41 41 VAL HA H 1 3.976 0.01 . 1 . . . A 41 VAL HA . 25540 1 479 . 1 1 41 41 VAL HB H 1 2.018 0.01 . 1 . . . A 41 VAL HB . 25540 1 480 . 1 1 41 41 VAL HG11 H 1 0.995 0.01 . 2 . . . A 41 VAL HG11 . 25540 1 481 . 1 1 41 41 VAL HG12 H 1 0.995 0.01 . 2 . . . A 41 VAL HG12 . 25540 1 482 . 1 1 41 41 VAL HG13 H 1 0.995 0.01 . 2 . . . A 41 VAL HG13 . 25540 1 483 . 1 1 41 41 VAL HG21 H 1 0.995 0.01 . 2 . . . A 41 VAL HG21 . 25540 1 484 . 1 1 41 41 VAL HG22 H 1 0.995 0.01 . 2 . . . A 41 VAL HG22 . 25540 1 485 . 1 1 41 41 VAL HG23 H 1 0.995 0.01 . 2 . . . A 41 VAL HG23 . 25540 1 486 . 1 1 41 41 VAL C C 13 179.340 0.05 . 1 . . . A 41 VAL C . 25540 1 487 . 1 1 41 41 VAL CA C 13 63.698 0.05 . 1 . . . A 41 VAL CA . 25540 1 488 . 1 1 41 41 VAL CB C 13 30.943 0.05 . 1 . . . A 41 VAL CB . 25540 1 489 . 1 1 41 41 VAL CG1 C 13 21.600 0.05 . 2 . . . A 41 VAL CG1 . 25540 1 490 . 1 1 41 41 VAL CG2 C 13 21.595 0.05 . 2 . . . A 41 VAL CG2 . 25540 1 491 . 1 1 41 41 VAL N N 15 129.778 0.05 . 1 . . . A 41 VAL N . 25540 1 492 . 1 1 42 42 LEU H H 1 9.191 0.01 . 1 . . . A 42 LEU H . 25540 1 493 . 1 1 42 42 LEU HA H 1 3.942 0.01 . 1 . . . A 42 LEU HA . 25540 1 494 . 1 1 42 42 LEU HB2 H 1 1.813 0.01 . 2 . . . A 42 LEU HB2 . 25540 1 495 . 1 1 42 42 LEU HB3 H 1 1.465 0.01 . 2 . . . A 42 LEU HB3 . 25540 1 496 . 1 1 42 42 LEU HG H 1 1.481 0.01 . 1 . . . A 42 LEU HG . 25540 1 497 . 1 1 42 42 LEU HD11 H 1 0.690 0.01 . 2 . . . A 42 LEU HD11 . 25540 1 498 . 1 1 42 42 LEU HD12 H 1 0.690 0.01 . 2 . . . A 42 LEU HD12 . 25540 1 499 . 1 1 42 42 LEU HD13 H 1 0.690 0.01 . 2 . . . A 42 LEU HD13 . 25540 1 500 . 1 1 42 42 LEU HD21 H 1 0.690 0.01 . 2 . . . A 42 LEU HD21 . 25540 1 501 . 1 1 42 42 LEU HD22 H 1 0.690 0.01 . 2 . . . A 42 LEU HD22 . 25540 1 502 . 1 1 42 42 LEU HD23 H 1 0.690 0.01 . 2 . . . A 42 LEU HD23 . 25540 1 503 . 1 1 42 42 LEU C C 13 176.077 0.05 . 1 . . . A 42 LEU C . 25540 1 504 . 1 1 42 42 LEU CA C 13 58.613 0.05 . 1 . . . A 42 LEU CA . 25540 1 505 . 1 1 42 42 LEU CB C 13 40.702 0.05 . 1 . . . A 42 LEU CB . 25540 1 506 . 1 1 42 42 LEU CG C 13 26.196 0.05 . 1 . . . A 42 LEU CG . 25540 1 507 . 1 1 42 42 LEU CD1 C 13 22.950 0.05 . 2 . . . A 42 LEU CD1 . 25540 1 508 . 1 1 42 42 LEU CD2 C 13 22.950 0.05 . 2 . . . A 42 LEU CD2 . 25540 1 509 . 1 1 42 42 LEU N N 15 130.014 0.05 . 1 . . . A 42 LEU N . 25540 1 510 . 1 1 43 43 SER H H 1 6.970 0.01 . 1 . . . A 43 SER H . 25540 1 511 . 1 1 43 43 SER HA H 1 3.910 0.01 . 1 . . . A 43 SER HA . 25540 1 512 . 1 1 43 43 SER HB2 H 1 3.770 0.01 . 2 . . . A 43 SER HB2 . 25540 1 513 . 1 1 43 43 SER HB3 H 1 2.673 0.01 . 2 . . . A 43 SER HB3 . 25540 1 514 . 1 1 43 43 SER C C 13 175.364 0.05 . 1 . . . A 43 SER C . 25540 1 515 . 1 1 43 43 SER CA C 13 59.565 0.05 . 1 . . . A 43 SER CA . 25540 1 516 . 1 1 43 43 SER CB C 13 61.202 0.05 . 1 . . . A 43 SER CB . 25540 1 517 . 1 1 43 43 SER N N 15 109.688 0.05 . 1 . . . A 43 SER N . 25540 1 518 . 1 1 44 44 THR H H 1 7.654 0.01 . 1 . . . A 44 THR H . 25540 1 519 . 1 1 44 44 THR HA H 1 4.501 0.01 . 1 . . . A 44 THR HA . 25540 1 520 . 1 1 44 44 THR HB H 1 4.658 0.01 . 1 . . . A 44 THR HB . 25540 1 521 . 1 1 44 44 THR HG21 H 1 1.207 0.01 . 1 . . . A 44 THR HG21 . 25540 1 522 . 1 1 44 44 THR HG22 H 1 1.207 0.01 . 1 . . . A 44 THR HG22 . 25540 1 523 . 1 1 44 44 THR HG23 H 1 1.207 0.01 . 1 . . . A 44 THR HG23 . 25540 1 524 . 1 1 44 44 THR C C 13 173.394 0.05 . 1 . . . A 44 THR C . 25540 1 525 . 1 1 44 44 THR CA C 13 62.031 0.05 . 1 . . . A 44 THR CA . 25540 1 526 . 1 1 44 44 THR CB C 13 69.800 0.05 . 1 . . . A 44 THR CB . 25540 1 527 . 1 1 44 44 THR CG2 C 13 21.034 0.05 . 1 . . . A 44 THR CG2 . 25540 1 528 . 1 1 44 44 THR N N 15 110.354 0.05 . 1 . . . A 44 THR N . 25540 1 529 . 1 1 45 45 ILE H H 1 7.092 0.01 . 1 . . . A 45 ILE H . 25540 1 530 . 1 1 45 45 ILE HA H 1 4.303 0.01 . 1 . . . A 45 ILE HA . 25540 1 531 . 1 1 45 45 ILE HB H 1 2.309 0.01 . 1 . . . A 45 ILE HB . 25540 1 532 . 1 1 45 45 ILE HG12 H 1 0.995 0.01 . 2 . . . A 45 ILE HG12 . 25540 1 533 . 1 1 45 45 ILE HG13 H 1 1.009 0.01 . 2 . . . A 45 ILE HG13 . 25540 1 534 . 1 1 45 45 ILE HG21 H 1 0.899 0.01 . 1 . . . A 45 ILE HG21 . 25540 1 535 . 1 1 45 45 ILE HG22 H 1 0.899 0.01 . 1 . . . A 45 ILE HG22 . 25540 1 536 . 1 1 45 45 ILE HG23 H 1 0.899 0.01 . 1 . . . A 45 ILE HG23 . 25540 1 537 . 1 1 45 45 ILE HD11 H 1 0.581 0.01 . 1 . . . A 45 ILE HD11 . 25540 1 538 . 1 1 45 45 ILE HD12 H 1 0.581 0.01 . 1 . . . A 45 ILE HD12 . 25540 1 539 . 1 1 45 45 ILE HD13 H 1 0.581 0.01 . 1 . . . A 45 ILE HD13 . 25540 1 540 . 1 1 45 45 ILE C C 13 173.755 0.05 . 1 . . . A 45 ILE C . 25540 1 541 . 1 1 45 45 ILE CA C 13 57.813 0.05 . 1 . . . A 45 ILE CA . 25540 1 542 . 1 1 45 45 ILE CB C 13 36.420 0.05 . 1 . . . A 45 ILE CB . 25540 1 543 . 1 1 45 45 ILE CG1 C 13 27.172 0.05 . 1 . . . A 45 ILE CG1 . 25540 1 544 . 1 1 45 45 ILE CG2 C 13 18.979 0.05 . 1 . . . A 45 ILE CG2 . 25540 1 545 . 1 1 45 45 ILE CD1 C 13 8.938 0.05 . 1 . . . A 45 ILE CD1 . 25540 1 546 . 1 1 45 45 ILE N N 15 120.858 0.05 . 1 . . . A 45 ILE N . 25540 1 547 . 1 1 46 46 ASP H H 1 9.336 0.01 . 1 . . . A 46 ASP H . 25540 1 548 . 1 1 46 46 ASP HA H 1 4.711 0.01 . 1 . . . A 46 ASP HA . 25540 1 549 . 1 1 46 46 ASP HB2 H 1 2.430 0.01 . 2 . . . A 46 ASP HB2 . 25540 1 550 . 1 1 46 46 ASP HB3 H 1 2.516 0.01 . 2 . . . A 46 ASP HB3 . 25540 1 551 . 1 1 46 46 ASP C C 13 175.349 0.05 . 1 . . . A 46 ASP C . 25540 1 552 . 1 1 46 46 ASP CA C 13 54.768 0.05 . 1 . . . A 46 ASP CA . 25540 1 553 . 1 1 46 46 ASP CB C 13 44.576 0.05 . 1 . . . A 46 ASP CB . 25540 1 554 . 1 1 46 46 ASP N N 15 126.504 0.05 . 1 . . . A 46 ASP N . 25540 1 555 . 1 1 47 47 LYS H H 1 7.548 0.01 . 1 . . . A 47 LYS H . 25540 1 556 . 1 1 47 47 LYS HA H 1 4.777 0.01 . 1 . . . A 47 LYS HA . 25540 1 557 . 1 1 47 47 LYS HB2 H 1 1.655 0.01 . 2 . . . A 47 LYS HB2 . 25540 1 558 . 1 1 47 47 LYS HB3 H 1 1.843 0.01 . 2 . . . A 47 LYS HB3 . 25540 1 559 . 1 1 47 47 LYS HG2 H 1 1.233 0.01 . 2 . . . A 47 LYS HG2 . 25540 1 560 . 1 1 47 47 LYS HG3 H 1 1.318 0.01 . 2 . . . A 47 LYS HG3 . 25540 1 561 . 1 1 47 47 LYS HD2 H 1 1.690 0.01 . 2 . . . A 47 LYS HD2 . 25540 1 562 . 1 1 47 47 LYS HD3 H 1 1.656 0.01 . 2 . . . A 47 LYS HD3 . 25540 1 563 . 1 1 47 47 LYS HE2 H 1 2.924 0.01 . 2 . . . A 47 LYS HE2 . 25540 1 564 . 1 1 47 47 LYS HE3 H 1 2.924 0.01 . 2 . . . A 47 LYS HE3 . 25540 1 565 . 1 1 47 47 LYS C C 13 172.777 0.05 . 1 . . . A 47 LYS C . 25540 1 566 . 1 1 47 47 LYS CA C 13 54.606 0.05 . 1 . . . A 47 LYS CA . 25540 1 567 . 1 1 47 47 LYS CB C 13 36.723 0.05 . 1 . . . A 47 LYS CB . 25540 1 568 . 1 1 47 47 LYS CG C 13 24.308 0.05 . 1 . . . A 47 LYS CG . 25540 1 569 . 1 1 47 47 LYS CD C 13 29.622 0.05 . 1 . . . A 47 LYS CD . 25540 1 570 . 1 1 47 47 LYS CE C 13 42.016 0.05 . 1 . . . A 47 LYS CE . 25540 1 571 . 1 1 47 47 LYS N N 15 111.972 0.05 . 1 . . . A 47 LYS N . 25540 1 572 . 1 1 48 48 LEU H H 1 8.943 0.01 . 1 . . . A 48 LEU H . 25540 1 573 . 1 1 48 48 LEU HA H 1 5.144 0.01 . 1 . . . A 48 LEU HA . 25540 1 574 . 1 1 48 48 LEU HB2 H 1 1.863 0.01 . 2 . . . A 48 LEU HB2 . 25540 1 575 . 1 1 48 48 LEU HB3 H 1 1.864 0.01 . 2 . . . A 48 LEU HB3 . 25540 1 576 . 1 1 48 48 LEU HG H 1 1.593 0.01 . 1 . . . A 48 LEU HG . 25540 1 577 . 1 1 48 48 LEU HD11 H 1 0.916 0.01 . 2 . . . A 48 LEU HD11 . 25540 1 578 . 1 1 48 48 LEU HD12 H 1 0.916 0.01 . 2 . . . A 48 LEU HD12 . 25540 1 579 . 1 1 48 48 LEU HD13 H 1 0.916 0.01 . 2 . . . A 48 LEU HD13 . 25540 1 580 . 1 1 48 48 LEU HD21 H 1 1.016 0.01 . 2 . . . A 48 LEU HD21 . 25540 1 581 . 1 1 48 48 LEU HD22 H 1 1.016 0.01 . 2 . . . A 48 LEU HD22 . 25540 1 582 . 1 1 48 48 LEU HD23 H 1 1.016 0.01 . 2 . . . A 48 LEU HD23 . 25540 1 583 . 1 1 48 48 LEU C C 13 174.786 0.05 . 1 . . . A 48 LEU C . 25540 1 584 . 1 1 48 48 LEU CA C 13 53.158 0.05 . 1 . . . A 48 LEU CA . 25540 1 585 . 1 1 48 48 LEU CB C 13 45.152 0.05 . 1 . . . A 48 LEU CB . 25540 1 586 . 1 1 48 48 LEU CG C 13 27.222 0.05 . 1 . . . A 48 LEU CG . 25540 1 587 . 1 1 48 48 LEU CD1 C 13 25.659 0.05 . 2 . . . A 48 LEU CD1 . 25540 1 588 . 1 1 48 48 LEU CD2 C 13 25.341 0.05 . 2 . . . A 48 LEU CD2 . 25540 1 589 . 1 1 48 48 LEU N N 15 123.104 0.05 . 1 . . . A 48 LEU N . 25540 1 590 . 1 1 49 49 GLN H H 1 9.206 0.01 . 1 . . . A 49 GLN H . 25540 1 591 . 1 1 49 49 GLN HA H 1 5.300 0.01 . 1 . . . A 49 GLN HA . 25540 1 592 . 1 1 49 49 GLN HB2 H 1 1.979 0.01 . 2 . . . A 49 GLN HB2 . 25540 1 593 . 1 1 49 49 GLN HB3 H 1 1.979 0.01 . 2 . . . A 49 GLN HB3 . 25540 1 594 . 1 1 49 49 GLN HG2 H 1 2.022 0.01 . 2 . . . A 49 GLN HG2 . 25540 1 595 . 1 1 49 49 GLN HG3 H 1 2.135 0.01 . 2 . . . A 49 GLN HG3 . 25540 1 596 . 1 1 49 49 GLN HE21 H 1 6.938 0.01 . 2 . . . A 49 GLN HE21 . 25540 1 597 . 1 1 49 49 GLN HE22 H 1 7.643 0.01 . 2 . . . A 49 GLN HE22 . 25540 1 598 . 1 1 49 49 GLN C C 13 174.555 0.05 . 1 . . . A 49 GLN C . 25540 1 599 . 1 1 49 49 GLN CA C 13 53.453 0.05 . 1 . . . A 49 GLN CA . 25540 1 600 . 1 1 49 49 GLN CB C 13 33.725 0.05 . 1 . . . A 49 GLN CB . 25540 1 601 . 1 1 49 49 GLN CG C 13 33.498 0.05 . 1 . . . A 49 GLN CG . 25540 1 602 . 1 1 49 49 GLN N N 15 121.369 0.05 . 1 . . . A 49 GLN N . 25540 1 603 . 1 1 49 49 GLN NE2 N 15 111.951 0.05 . 1 . . . A 49 GLN NE2 . 25540 1 604 . 1 1 50 50 ALA H H 1 9.183 0.01 . 1 . . . A 50 ALA H . 25540 1 605 . 1 1 50 50 ALA HA H 1 5.744 0.01 . 1 . . . A 50 ALA HA . 25540 1 606 . 1 1 50 50 ALA HB1 H 1 1.349 0.01 . 1 . . . A 50 ALA HB1 . 25540 1 607 . 1 1 50 50 ALA HB2 H 1 1.349 0.01 . 1 . . . A 50 ALA HB2 . 25540 1 608 . 1 1 50 50 ALA HB3 H 1 1.349 0.01 . 1 . . . A 50 ALA HB3 . 25540 1 609 . 1 1 50 50 ALA C C 13 176.893 0.05 . 1 . . . A 50 ALA C . 25540 1 610 . 1 1 50 50 ALA CA C 13 50.451 0.05 . 1 . . . A 50 ALA CA . 25540 1 611 . 1 1 50 50 ALA CB C 13 24.228 0.05 . 1 . . . A 50 ALA CB . 25540 1 612 . 1 1 50 50 ALA N N 15 122.404 0.05 . 1 . . . A 50 ALA N . 25540 1 613 . 1 1 51 51 THR H H 1 8.251 0.01 . 1 . . . A 51 THR H . 25540 1 614 . 1 1 51 51 THR HA H 1 4.551 0.01 . 1 . . . A 51 THR HA . 25540 1 615 . 1 1 51 51 THR HB H 1 4.222 0.01 . 1 . . . A 51 THR HB . 25540 1 616 . 1 1 51 51 THR HG21 H 1 0.763 0.01 . 1 . . . A 51 THR HG21 . 25540 1 617 . 1 1 51 51 THR HG22 H 1 0.763 0.01 . 1 . . . A 51 THR HG22 . 25540 1 618 . 1 1 51 51 THR HG23 H 1 0.763 0.01 . 1 . . . A 51 THR HG23 . 25540 1 619 . 1 1 51 51 THR CA C 13 59.100 0.05 . 1 . . . A 51 THR CA . 25540 1 620 . 1 1 51 51 THR CB C 13 67.909 0.05 . 1 . . . A 51 THR CB . 25540 1 621 . 1 1 51 51 THR CG2 C 13 23.457 0.05 . 1 . . . A 51 THR CG2 . 25540 1 622 . 1 1 51 51 THR N N 15 112.947 0.05 . 1 . . . A 51 THR N . 25540 1 623 . 1 1 52 52 PRO HA H 1 4.528 0.01 . 1 . . . A 52 PRO HA . 25540 1 624 . 1 1 52 52 PRO HB2 H 1 2.345 0.01 . 2 . . . A 52 PRO HB2 . 25540 1 625 . 1 1 52 52 PRO HB3 H 1 2.075 0.01 . 2 . . . A 52 PRO HB3 . 25540 1 626 . 1 1 52 52 PRO HG2 H 1 2.044 0.01 . 2 . . . A 52 PRO HG2 . 25540 1 627 . 1 1 52 52 PRO HG3 H 1 1.966 0.01 . 2 . . . A 52 PRO HG3 . 25540 1 628 . 1 1 52 52 PRO HD2 H 1 3.870 0.01 . 2 . . . A 52 PRO HD2 . 25540 1 629 . 1 1 52 52 PRO HD3 H 1 3.779 0.01 . 2 . . . A 52 PRO HD3 . 25540 1 630 . 1 1 52 52 PRO C C 13 178.237 0.05 . 1 . . . A 52 PRO C . 25540 1 631 . 1 1 52 52 PRO CA C 13 62.403 0.05 . 1 . . . A 52 PRO CA . 25540 1 632 . 1 1 52 52 PRO CB C 13 32.651 0.05 . 1 . . . A 52 PRO CB . 25540 1 633 . 1 1 52 52 PRO CG C 13 27.554 0.05 . 1 . . . A 52 PRO CG . 25540 1 634 . 1 1 52 52 PRO CD C 13 50.811 0.05 . 1 . . . A 52 PRO CD . 25540 1 635 . 1 1 53 53 ALA H H 1 8.977 0.01 . 1 . . . A 53 ALA H . 25540 1 636 . 1 1 53 53 ALA HA H 1 4.046 0.01 . 1 . . . A 53 ALA HA . 25540 1 637 . 1 1 53 53 ALA HB1 H 1 1.442 0.01 . 1 . . . A 53 ALA HB1 . 25540 1 638 . 1 1 53 53 ALA HB2 H 1 1.442 0.01 . 1 . . . A 53 ALA HB2 . 25540 1 639 . 1 1 53 53 ALA HB3 H 1 1.442 0.01 . 1 . . . A 53 ALA HB3 . 25540 1 640 . 1 1 53 53 ALA C C 13 177.483 0.05 . 1 . . . A 53 ALA C . 25540 1 641 . 1 1 53 53 ALA CA C 13 54.810 0.05 . 1 . . . A 53 ALA CA . 25540 1 642 . 1 1 53 53 ALA CB C 13 18.059 0.05 . 1 . . . A 53 ALA CB . 25540 1 643 . 1 1 53 53 ALA N N 15 125.719 0.05 . 1 . . . A 53 ALA N . 25540 1 644 . 1 1 54 54 SER H H 1 7.580 0.01 . 1 . . . A 54 SER H . 25540 1 645 . 1 1 54 54 SER HA H 1 4.243 0.01 . 1 . . . A 54 SER HA . 25540 1 646 . 1 1 54 54 SER HB2 H 1 4.057 0.01 . 2 . . . A 54 SER HB2 . 25540 1 647 . 1 1 54 54 SER HB3 H 1 3.797 0.01 . 2 . . . A 54 SER HB3 . 25540 1 648 . 1 1 54 54 SER C C 13 174.749 0.05 . 1 . . . A 54 SER C . 25540 1 649 . 1 1 54 54 SER CA C 13 58.017 0.05 . 1 . . . A 54 SER CA . 25540 1 650 . 1 1 54 54 SER CB C 13 62.948 0.05 . 1 . . . A 54 SER CB . 25540 1 651 . 1 1 54 54 SER N N 15 107.182 0.05 . 1 . . . A 54 SER N . 25540 1 652 . 1 1 55 55 SER H H 1 7.638 0.01 . 1 . . . A 55 SER H . 25540 1 653 . 1 1 55 55 SER HA H 1 4.475 0.01 . 1 . . . A 55 SER HA . 25540 1 654 . 1 1 55 55 SER HB2 H 1 3.948 0.01 . 2 . . . A 55 SER HB2 . 25540 1 655 . 1 1 55 55 SER HB3 H 1 3.891 0.01 . 2 . . . A 55 SER HB3 . 25540 1 656 . 1 1 55 55 SER C C 13 174.748 0.05 . 1 . . . A 55 SER C . 25540 1 657 . 1 1 55 55 SER CA C 13 57.377 0.05 . 1 . . . A 55 SER CA . 25540 1 658 . 1 1 55 55 SER CB C 13 63.926 0.05 . 1 . . . A 55 SER CB . 25540 1 659 . 1 1 55 55 SER N N 15 117.153 0.05 . 1 . . . A 55 SER N . 25540 1 660 . 1 1 56 56 GLU H H 1 8.849 0.01 . 1 . . . A 56 GLU H . 25540 1 661 . 1 1 56 56 GLU HA H 1 4.158 0.01 . 1 . . . A 56 GLU HA . 25540 1 662 . 1 1 56 56 GLU HB2 H 1 2.168 0.01 . 2 . . . A 56 GLU HB2 . 25540 1 663 . 1 1 56 56 GLU HB3 H 1 2.000 0.01 . 2 . . . A 56 GLU HB3 . 25540 1 664 . 1 1 56 56 GLU HG2 H 1 2.363 0.01 . 2 . . . A 56 GLU HG2 . 25540 1 665 . 1 1 56 56 GLU HG3 H 1 2.284 0.01 . 2 . . . A 56 GLU HG3 . 25540 1 666 . 1 1 56 56 GLU C C 13 177.700 0.05 . 1 . . . A 56 GLU C . 25540 1 667 . 1 1 56 56 GLU CA C 13 57.709 0.05 . 1 . . . A 56 GLU CA . 25540 1 668 . 1 1 56 56 GLU CB C 13 29.609 0.05 . 1 . . . A 56 GLU CB . 25540 1 669 . 1 1 56 56 GLU CG C 13 36.304 0.05 . 1 . . . A 56 GLU CG . 25540 1 670 . 1 1 56 56 GLU N N 15 124.695 0.05 . 1 . . . A 56 GLU N . 25540 1 671 . 1 1 57 57 LYS H H 1 8.131 0.01 . 1 . . . A 57 LYS H . 25540 1 672 . 1 1 57 57 LYS HA H 1 4.279 0.01 . 1 . . . A 57 LYS HA . 25540 1 673 . 1 1 57 57 LYS HB2 H 1 1.715 0.01 . 2 . . . A 57 LYS HB2 . 25540 1 674 . 1 1 57 57 LYS HB3 H 1 1.714 0.01 . 2 . . . A 57 LYS HB3 . 25540 1 675 . 1 1 57 57 LYS HG2 H 1 1.405 0.01 . 2 . . . A 57 LYS HG2 . 25540 1 676 . 1 1 57 57 LYS HG3 H 1 1.469 0.01 . 2 . . . A 57 LYS HG3 . 25540 1 677 . 1 1 57 57 LYS HD2 H 1 1.620 0.01 . 2 . . . A 57 LYS HD2 . 25540 1 678 . 1 1 57 57 LYS HD3 H 1 1.627 0.01 . 2 . . . A 57 LYS HD3 . 25540 1 679 . 1 1 57 57 LYS HE2 H 1 2.928 0.01 . 2 . . . A 57 LYS HE2 . 25540 1 680 . 1 1 57 57 LYS HE3 H 1 2.924 0.01 . 2 . . . A 57 LYS HE3 . 25540 1 681 . 1 1 57 57 LYS C C 13 175.724 0.05 . 1 . . . A 57 LYS C . 25540 1 682 . 1 1 57 57 LYS CA C 13 55.936 0.05 . 1 . . . A 57 LYS CA . 25540 1 683 . 1 1 57 57 LYS CB C 13 33.696 0.05 . 1 . . . A 57 LYS CB . 25540 1 684 . 1 1 57 57 LYS CG C 13 25.246 0.05 . 1 . . . A 57 LYS CG . 25540 1 685 . 1 1 57 57 LYS CD C 13 29.290 0.05 . 1 . . . A 57 LYS CD . 25540 1 686 . 1 1 57 57 LYS CE C 13 42.100 0.05 . 1 . . . A 57 LYS CE . 25540 1 687 . 1 1 57 57 LYS N N 15 119.271 0.05 . 1 . . . A 57 LYS N . 25540 1 688 . 1 1 58 58 MET H H 1 8.852 0.01 . 1 . . . A 58 MET H . 25540 1 689 . 1 1 58 58 MET HA H 1 4.300 0.01 . 1 . . . A 58 MET HA . 25540 1 690 . 1 1 58 58 MET HB2 H 1 2.076 0.01 . 2 . . . A 58 MET HB2 . 25540 1 691 . 1 1 58 58 MET HB3 H 1 2.096 0.01 . 2 . . . A 58 MET HB3 . 25540 1 692 . 1 1 58 58 MET HG2 H 1 2.322 0.01 . 2 . . . A 58 MET HG2 . 25540 1 693 . 1 1 58 58 MET HG3 H 1 2.322 0.01 . 2 . . . A 58 MET HG3 . 25540 1 694 . 1 1 58 58 MET HE1 H 1 2.067 0.01 . 1 . . . A 58 MET HE1 . 25540 1 695 . 1 1 58 58 MET HE2 H 1 2.067 0.01 . 1 . . . A 58 MET HE2 . 25540 1 696 . 1 1 58 58 MET HE3 H 1 2.067 0.01 . 1 . . . A 58 MET HE3 . 25540 1 697 . 1 1 58 58 MET C C 13 173.986 0.05 . 1 . . . A 58 MET C . 25540 1 698 . 1 1 58 58 MET CA C 13 55.182 0.05 . 1 . . . A 58 MET CA . 25540 1 699 . 1 1 58 58 MET CB C 13 35.153 0.05 . 1 . . . A 58 MET CB . 25540 1 700 . 1 1 58 58 MET CG C 13 32.253 0.05 . 1 . . . A 58 MET CG . 25540 1 701 . 1 1 58 58 MET CE C 13 17.720 0.05 . 1 . . . A 58 MET CE . 25540 1 702 . 1 1 58 58 MET N N 15 123.812 0.05 . 1 . . . A 58 MET N . 25540 1 703 . 1 1 59 59 MET H H 1 8.398 0.01 . 1 . . . A 59 MET H . 25540 1 704 . 1 1 59 59 MET HA H 1 5.867 0.01 . 1 . . . A 59 MET HA . 25540 1 705 . 1 1 59 59 MET HB2 H 1 2.307 0.01 . 2 . . . A 59 MET HB2 . 25540 1 706 . 1 1 59 59 MET HB3 H 1 1.975 0.01 . 2 . . . A 59 MET HB3 . 25540 1 707 . 1 1 59 59 MET HG2 H 1 2.824 0.01 . 2 . . . A 59 MET HG2 . 25540 1 708 . 1 1 59 59 MET HG3 H 1 2.824 0.01 . 2 . . . A 59 MET HG3 . 25540 1 709 . 1 1 59 59 MET HE1 H 1 1.938 0.01 . 1 . . . A 59 MET HE1 . 25540 1 710 . 1 1 59 59 MET HE2 H 1 1.938 0.01 . 1 . . . A 59 MET HE2 . 25540 1 711 . 1 1 59 59 MET HE3 H 1 1.938 0.01 . 1 . . . A 59 MET HE3 . 25540 1 712 . 1 1 59 59 MET C C 13 174.295 0.05 . 1 . . . A 59 MET C . 25540 1 713 . 1 1 59 59 MET CA C 13 54.993 0.05 . 1 . . . A 59 MET CA . 25540 1 714 . 1 1 59 59 MET CB C 13 39.392 0.05 . 1 . . . A 59 MET CB . 25540 1 715 . 1 1 59 59 MET CG C 13 32.451 0.05 . 1 . . . A 59 MET CG . 25540 1 716 . 1 1 59 59 MET CE C 13 17.753 0.05 . 1 . . . A 59 MET CE . 25540 1 717 . 1 1 59 59 MET N N 15 120.577 0.05 . 1 . . . A 59 MET N . 25540 1 718 . 1 1 60 60 LEU H H 1 9.111 0.01 . 1 . . . A 60 LEU H . 25540 1 719 . 1 1 60 60 LEU HA H 1 5.605 0.01 . 1 . . . A 60 LEU HA . 25540 1 720 . 1 1 60 60 LEU HB2 H 1 1.882 0.01 . 2 . . . A 60 LEU HB2 . 25540 1 721 . 1 1 60 60 LEU HB3 H 1 1.715 0.01 . 2 . . . A 60 LEU HB3 . 25540 1 722 . 1 1 60 60 LEU HG H 1 1.908 0.01 . 1 . . . A 60 LEU HG . 25540 1 723 . 1 1 60 60 LEU HD11 H 1 1.070 0.01 . 2 . . . A 60 LEU HD11 . 25540 1 724 . 1 1 60 60 LEU HD12 H 1 1.070 0.01 . 2 . . . A 60 LEU HD12 . 25540 1 725 . 1 1 60 60 LEU HD13 H 1 1.070 0.01 . 2 . . . A 60 LEU HD13 . 25540 1 726 . 1 1 60 60 LEU HD21 H 1 0.908 0.01 . 2 . . . A 60 LEU HD21 . 25540 1 727 . 1 1 60 60 LEU HD22 H 1 0.908 0.01 . 2 . . . A 60 LEU HD22 . 25540 1 728 . 1 1 60 60 LEU HD23 H 1 0.908 0.01 . 2 . . . A 60 LEU HD23 . 25540 1 729 . 1 1 60 60 LEU C C 13 175.431 0.05 . 1 . . . A 60 LEU C . 25540 1 730 . 1 1 60 60 LEU CA C 13 53.228 0.05 . 1 . . . A 60 LEU CA . 25540 1 731 . 1 1 60 60 LEU CB C 13 47.564 0.05 . 1 . . . A 60 LEU CB . 25540 1 732 . 1 1 60 60 LEU CG C 13 26.911 0.05 . 1 . . . A 60 LEU CG . 25540 1 733 . 1 1 60 60 LEU CD1 C 13 24.741 0.05 . 2 . . . A 60 LEU CD1 . 25540 1 734 . 1 1 60 60 LEU CD2 C 13 25.842 0.05 . 2 . . . A 60 LEU CD2 . 25540 1 735 . 1 1 60 60 LEU N N 15 118.074 0.05 . 1 . . . A 60 LEU N . 25540 1 736 . 1 1 61 61 ARG H H 1 9.304 0.01 . 1 . . . A 61 ARG H . 25540 1 737 . 1 1 61 61 ARG HA H 1 5.424 0.01 . 1 . . . A 61 ARG HA . 25540 1 738 . 1 1 61 61 ARG HB2 H 1 1.357 0.01 . 2 . . . A 61 ARG HB2 . 25540 1 739 . 1 1 61 61 ARG HB3 H 1 1.357 0.01 . 2 . . . A 61 ARG HB3 . 25540 1 740 . 1 1 61 61 ARG HG2 H 1 1.127 0.01 . 2 . . . A 61 ARG HG2 . 25540 1 741 . 1 1 61 61 ARG HG3 H 1 1.065 0.01 . 2 . . . A 61 ARG HG3 . 25540 1 742 . 1 1 61 61 ARG HD2 H 1 2.353 0.01 . 2 . . . A 61 ARG HD2 . 25540 1 743 . 1 1 61 61 ARG HD3 H 1 2.646 0.01 . 2 . . . A 61 ARG HD3 . 25540 1 744 . 1 1 61 61 ARG HE H 1 7.043 0.01 . 1 . . . A 61 ARG HE . 25540 1 745 . 1 1 61 61 ARG C C 13 173.401 0.05 . 1 . . . A 61 ARG C . 25540 1 746 . 1 1 61 61 ARG CA C 13 54.871 0.05 . 1 . . . A 61 ARG CA . 25540 1 747 . 1 1 61 61 ARG CB C 13 35.008 0.05 . 1 . . . A 61 ARG CB . 25540 1 748 . 1 1 61 61 ARG CG C 13 26.329 0.05 . 1 . . . A 61 ARG CG . 25540 1 749 . 1 1 61 61 ARG CD C 13 44.167 0.05 . 1 . . . A 61 ARG CD . 25540 1 750 . 1 1 61 61 ARG N N 15 121.153 0.05 . 1 . . . A 61 ARG N . 25540 1 751 . 1 1 62 62 LEU H H 1 9.276 0.01 . 1 . . . A 62 LEU H . 25540 1 752 . 1 1 62 62 LEU HA H 1 5.084 0.01 . 1 . . . A 62 LEU HA . 25540 1 753 . 1 1 62 62 LEU HB2 H 1 1.866 0.01 . 2 . . . A 62 LEU HB2 . 25540 1 754 . 1 1 62 62 LEU HB3 H 1 1.728 0.01 . 2 . . . A 62 LEU HB3 . 25540 1 755 . 1 1 62 62 LEU HG H 1 1.849 0.01 . 1 . . . A 62 LEU HG . 25540 1 756 . 1 1 62 62 LEU HD11 H 1 0.926 0.01 . 2 . . . A 62 LEU HD11 . 25540 1 757 . 1 1 62 62 LEU HD12 H 1 0.926 0.01 . 2 . . . A 62 LEU HD12 . 25540 1 758 . 1 1 62 62 LEU HD13 H 1 0.926 0.01 . 2 . . . A 62 LEU HD13 . 25540 1 759 . 1 1 62 62 LEU HD21 H 1 0.933 0.01 . 2 . . . A 62 LEU HD21 . 25540 1 760 . 1 1 62 62 LEU HD22 H 1 0.933 0.01 . 2 . . . A 62 LEU HD22 . 25540 1 761 . 1 1 62 62 LEU HD23 H 1 0.933 0.01 . 2 . . . A 62 LEU HD23 . 25540 1 762 . 1 1 62 62 LEU C C 13 175.411 0.05 . 1 . . . A 62 LEU C . 25540 1 763 . 1 1 62 62 LEU CA C 13 54.627 0.05 . 1 . . . A 62 LEU CA . 25540 1 764 . 1 1 62 62 LEU CB C 13 43.161 0.05 . 1 . . . A 62 LEU CB . 25540 1 765 . 1 1 62 62 LEU CG C 13 29.361 0.05 . 1 . . . A 62 LEU CG . 25540 1 766 . 1 1 62 62 LEU CD1 C 13 24.898 0.05 . 2 . . . A 62 LEU CD1 . 25540 1 767 . 1 1 62 62 LEU CD2 C 13 27.274 0.05 . 2 . . . A 62 LEU CD2 . 25540 1 768 . 1 1 62 62 LEU N N 15 126.808 0.05 . 1 . . . A 62 LEU N . 25540 1 769 . 1 1 63 63 ILE H H 1 8.953 0.01 . 1 . . . A 63 ILE H . 25540 1 770 . 1 1 63 63 ILE HA H 1 4.629 0.01 . 1 . . . A 63 ILE HA . 25540 1 771 . 1 1 63 63 ILE HB H 1 1.932 0.01 . 1 . . . A 63 ILE HB . 25540 1 772 . 1 1 63 63 ILE HG12 H 1 1.045 0.01 . 2 . . . A 63 ILE HG12 . 25540 1 773 . 1 1 63 63 ILE HG13 H 1 1.045 0.01 . 2 . . . A 63 ILE HG13 . 25540 1 774 . 1 1 63 63 ILE HG21 H 1 1.041 0.01 . 1 . . . A 63 ILE HG21 . 25540 1 775 . 1 1 63 63 ILE HG22 H 1 1.041 0.01 . 1 . . . A 63 ILE HG22 . 25540 1 776 . 1 1 63 63 ILE HG23 H 1 1.041 0.01 . 1 . . . A 63 ILE HG23 . 25540 1 777 . 1 1 63 63 ILE HD11 H 1 0.599 0.01 . 1 . . . A 63 ILE HD11 . 25540 1 778 . 1 1 63 63 ILE HD12 H 1 0.599 0.01 . 1 . . . A 63 ILE HD12 . 25540 1 779 . 1 1 63 63 ILE HD13 H 1 0.599 0.01 . 1 . . . A 63 ILE HD13 . 25540 1 780 . 1 1 63 63 ILE C C 13 176.350 0.05 . 1 . . . A 63 ILE C . 25540 1 781 . 1 1 63 63 ILE CA C 13 59.694 0.05 . 1 . . . A 63 ILE CA . 25540 1 782 . 1 1 63 63 ILE CB C 13 38.320 0.05 . 1 . . . A 63 ILE CB . 25540 1 783 . 1 1 63 63 ILE CG1 C 13 27.143 0.05 . 1 . . . A 63 ILE CG1 . 25540 1 784 . 1 1 63 63 ILE CG2 C 13 17.441 0.05 . 1 . . . A 63 ILE CG2 . 25540 1 785 . 1 1 63 63 ILE CD1 C 13 11.644 0.05 . 1 . . . A 63 ILE CD1 . 25540 1 786 . 1 1 63 63 ILE N N 15 123.262 0.05 . 1 . . . A 63 ILE N . 25540 1 787 . 1 1 64 64 GLY H H 1 9.350 0.01 . 1 . . . A 64 GLY H . 25540 1 788 . 1 1 64 64 GLY HA2 H 1 4.693 0.01 . 2 . . . A 64 GLY HA2 . 25540 1 789 . 1 1 64 64 GLY HA3 H 1 4.042 0.01 . 2 . . . A 64 GLY HA3 . 25540 1 790 . 1 1 64 64 GLY C C 13 172.416 0.05 . 1 . . . A 64 GLY C . 25540 1 791 . 1 1 64 64 GLY CA C 13 45.534 0.05 . 1 . . . A 64 GLY CA . 25540 1 792 . 1 1 64 64 GLY N N 15 115.430 0.05 . 1 . . . A 64 GLY N . 25540 1 793 . 1 1 65 65 LYS H H 1 8.333 0.01 . 1 . . . A 65 LYS H . 25540 1 794 . 1 1 65 65 LYS HA H 1 4.295 0.01 . 1 . . . A 65 LYS HA . 25540 1 795 . 1 1 65 65 LYS HB2 H 1 1.890 0.01 . 2 . . . A 65 LYS HB2 . 25540 1 796 . 1 1 65 65 LYS HB3 H 1 1.889 0.01 . 2 . . . A 65 LYS HB3 . 25540 1 797 . 1 1 65 65 LYS HG2 H 1 1.407 0.01 . 2 . . . A 65 LYS HG2 . 25540 1 798 . 1 1 65 65 LYS HG3 H 1 1.227 0.01 . 2 . . . A 65 LYS HG3 . 25540 1 799 . 1 1 65 65 LYS HD2 H 1 1.703 0.01 . 2 . . . A 65 LYS HD2 . 25540 1 800 . 1 1 65 65 LYS HD3 H 1 1.599 0.01 . 2 . . . A 65 LYS HD3 . 25540 1 801 . 1 1 65 65 LYS HE2 H 1 2.897 0.01 . 2 . . . A 65 LYS HE2 . 25540 1 802 . 1 1 65 65 LYS HE3 H 1 2.938 0.01 . 2 . . . A 65 LYS HE3 . 25540 1 803 . 1 1 65 65 LYS C C 13 177.456 0.05 . 1 . . . A 65 LYS C . 25540 1 804 . 1 1 65 65 LYS CA C 13 56.530 0.05 . 1 . . . A 65 LYS CA . 25540 1 805 . 1 1 65 65 LYS CB C 13 34.380 0.05 . 1 . . . A 65 LYS CB . 25540 1 806 . 1 1 65 65 LYS CG C 13 26.373 0.05 . 1 . . . A 65 LYS CG . 25540 1 807 . 1 1 65 65 LYS CD C 13 29.576 0.05 . 1 . . . A 65 LYS CD . 25540 1 808 . 1 1 65 65 LYS CE C 13 42.459 0.05 . 1 . . . A 65 LYS CE . 25540 1 809 . 1 1 65 65 LYS N N 15 119.208 0.05 . 1 . . . A 65 LYS N . 25540 1 810 . 1 1 66 66 VAL H H 1 8.641 0.01 . 1 . . . A 66 VAL H . 25540 1 811 . 1 1 66 66 VAL HA H 1 4.058 0.01 . 1 . . . A 66 VAL HA . 25540 1 812 . 1 1 66 66 VAL HB H 1 1.954 0.01 . 1 . . . A 66 VAL HB . 25540 1 813 . 1 1 66 66 VAL HG11 H 1 0.892 0.01 . 2 . . . A 66 VAL HG11 . 25540 1 814 . 1 1 66 66 VAL HG12 H 1 0.892 0.01 . 2 . . . A 66 VAL HG12 . 25540 1 815 . 1 1 66 66 VAL HG13 H 1 0.892 0.01 . 2 . . . A 66 VAL HG13 . 25540 1 816 . 1 1 66 66 VAL HG21 H 1 0.892 0.01 . 2 . . . A 66 VAL HG21 . 25540 1 817 . 1 1 66 66 VAL HG22 H 1 0.892 0.01 . 2 . . . A 66 VAL HG22 . 25540 1 818 . 1 1 66 66 VAL HG23 H 1 0.892 0.01 . 2 . . . A 66 VAL HG23 . 25540 1 819 . 1 1 66 66 VAL C C 13 175.216 0.05 . 1 . . . A 66 VAL C . 25540 1 820 . 1 1 66 66 VAL CA C 13 62.123 0.05 . 1 . . . A 66 VAL CA . 25540 1 821 . 1 1 66 66 VAL CB C 13 33.178 0.05 . 1 . . . A 66 VAL CB . 25540 1 822 . 1 1 66 66 VAL CG1 C 13 20.999 0.05 . 2 . . . A 66 VAL CG1 . 25540 1 823 . 1 1 66 66 VAL CG2 C 13 21.019 0.05 . 2 . . . A 66 VAL CG2 . 25540 1 824 . 1 1 66 66 VAL N N 15 122.256 0.05 . 1 . . . A 66 VAL N . 25540 1 825 . 1 1 67 67 ASP H H 1 8.449 0.01 . 1 . . . A 67 ASP H . 25540 1 826 . 1 1 67 67 ASP HA H 1 4.702 0.01 . 1 . . . A 67 ASP HA . 25540 1 827 . 1 1 67 67 ASP HB2 H 1 2.587 0.01 . 2 . . . A 67 ASP HB2 . 25540 1 828 . 1 1 67 67 ASP HB3 H 1 2.816 0.01 . 2 . . . A 67 ASP HB3 . 25540 1 829 . 1 1 67 67 ASP C C 13 176.603 0.05 . 1 . . . A 67 ASP C . 25540 1 830 . 1 1 67 67 ASP CA C 13 53.140 0.05 . 1 . . . A 67 ASP CA . 25540 1 831 . 1 1 67 67 ASP CB C 13 40.986 0.05 . 1 . . . A 67 ASP CB . 25540 1 832 . 1 1 67 67 ASP N N 15 125.523 0.05 . 1 . . . A 67 ASP N . 25540 1 833 . 1 1 68 68 GLU H H 1 8.744 0.01 . 1 . . . A 68 GLU H . 25540 1 834 . 1 1 68 68 GLU HA H 1 4.090 0.01 . 1 . . . A 68 GLU HA . 25540 1 835 . 1 1 68 68 GLU HB2 H 1 2.009 0.01 . 2 . . . A 68 GLU HB2 . 25540 1 836 . 1 1 68 68 GLU HB3 H 1 1.986 0.01 . 2 . . . A 68 GLU HB3 . 25540 1 837 . 1 1 68 68 GLU HG2 H 1 2.363 0.01 . 2 . . . A 68 GLU HG2 . 25540 1 838 . 1 1 68 68 GLU HG3 H 1 2.254 0.01 . 2 . . . A 68 GLU HG3 . 25540 1 839 . 1 1 68 68 GLU C C 13 177.363 0.05 . 1 . . . A 68 GLU C . 25540 1 840 . 1 1 68 68 GLU CA C 13 57.723 0.05 . 1 . . . A 68 GLU CA . 25540 1 841 . 1 1 68 68 GLU CB C 13 29.524 0.05 . 1 . . . A 68 GLU CB . 25540 1 842 . 1 1 68 68 GLU CG C 13 36.258 0.05 . 1 . . . A 68 GLU CG . 25540 1 843 . 1 1 68 68 GLU N N 15 124.359 0.05 . 1 . . . A 68 GLU N . 25540 1 844 . 1 1 69 69 SER H H 1 8.489 0.01 . 1 . . . A 69 SER H . 25540 1 845 . 1 1 69 69 SER HA H 1 4.323 0.01 . 1 . . . A 69 SER HA . 25540 1 846 . 1 1 69 69 SER HB2 H 1 3.969 0.01 . 2 . . . A 69 SER HB2 . 25540 1 847 . 1 1 69 69 SER HB3 H 1 3.969 0.01 . 2 . . . A 69 SER HB3 . 25540 1 848 . 1 1 69 69 SER C C 13 175.174 0.05 . 1 . . . A 69 SER C . 25540 1 849 . 1 1 69 69 SER CA C 13 60.092 0.05 . 1 . . . A 69 SER CA . 25540 1 850 . 1 1 69 69 SER CB C 13 63.269 0.05 . 1 . . . A 69 SER CB . 25540 1 851 . 1 1 69 69 SER N N 15 115.431 0.05 . 1 . . . A 69 SER N . 25540 1 852 . 1 1 70 70 LYS H H 1 7.674 0.01 . 1 . . . A 70 LYS H . 25540 1 853 . 1 1 70 70 LYS HA H 1 4.402 0.01 . 1 . . . A 70 LYS HA . 25540 1 854 . 1 1 70 70 LYS HB2 H 1 1.933 0.01 . 2 . . . A 70 LYS HB2 . 25540 1 855 . 1 1 70 70 LYS HB3 H 1 1.933 0.01 . 2 . . . A 70 LYS HB3 . 25540 1 856 . 1 1 70 70 LYS HG2 H 1 1.343 0.01 . 2 . . . A 70 LYS HG2 . 25540 1 857 . 1 1 70 70 LYS HG3 H 1 1.463 0.01 . 2 . . . A 70 LYS HG3 . 25540 1 858 . 1 1 70 70 LYS HD2 H 1 1.682 0.01 . 2 . . . A 70 LYS HD2 . 25540 1 859 . 1 1 70 70 LYS HD3 H 1 1.657 0.01 . 2 . . . A 70 LYS HD3 . 25540 1 860 . 1 1 70 70 LYS HE2 H 1 2.990 0.01 . 2 . . . A 70 LYS HE2 . 25540 1 861 . 1 1 70 70 LYS HE3 H 1 2.990 0.01 . 2 . . . A 70 LYS HE3 . 25540 1 862 . 1 1 70 70 LYS C C 13 176.113 0.05 . 1 . . . A 70 LYS C . 25540 1 863 . 1 1 70 70 LYS CA C 13 55.327 0.05 . 1 . . . A 70 LYS CA . 25540 1 864 . 1 1 70 70 LYS CB C 13 32.469 0.05 . 1 . . . A 70 LYS CB . 25540 1 865 . 1 1 70 70 LYS CG C 13 24.881 0.05 . 1 . . . A 70 LYS CG . 25540 1 866 . 1 1 70 70 LYS CD C 13 28.801 0.05 . 1 . . . A 70 LYS CD . 25540 1 867 . 1 1 70 70 LYS CE C 13 42.132 0.05 . 1 . . . A 70 LYS CE . 25540 1 868 . 1 1 70 70 LYS N N 15 121.620 0.05 . 1 . . . A 70 LYS N . 25540 1 869 . 1 1 71 71 LYS H H 1 7.706 0.01 . 1 . . . A 71 LYS H . 25540 1 870 . 1 1 71 71 LYS HA H 1 4.401 0.01 . 1 . . . A 71 LYS HA . 25540 1 871 . 1 1 71 71 LYS HB2 H 1 1.743 0.01 . 2 . . . A 71 LYS HB2 . 25540 1 872 . 1 1 71 71 LYS HB3 H 1 1.795 0.01 . 2 . . . A 71 LYS HB3 . 25540 1 873 . 1 1 71 71 LYS HG2 H 1 1.347 0.01 . 2 . . . A 71 LYS HG2 . 25540 1 874 . 1 1 71 71 LYS HG3 H 1 1.457 0.01 . 2 . . . A 71 LYS HG3 . 25540 1 875 . 1 1 71 71 LYS HD2 H 1 1.653 0.01 . 2 . . . A 71 LYS HD2 . 25540 1 876 . 1 1 71 71 LYS HD3 H 1 1.653 0.01 . 2 . . . A 71 LYS HD3 . 25540 1 877 . 1 1 71 71 LYS HE2 H 1 2.927 0.01 . 2 . . . A 71 LYS HE2 . 25540 1 878 . 1 1 71 71 LYS HE3 H 1 2.927 0.01 . 2 . . . A 71 LYS HE3 . 25540 1 879 . 1 1 71 71 LYS C C 13 176.082 0.05 . 1 . . . A 71 LYS C . 25540 1 880 . 1 1 71 71 LYS CA C 13 56.618 0.05 . 1 . . . A 71 LYS CA . 25540 1 881 . 1 1 71 71 LYS CB C 13 33.219 0.05 . 1 . . . A 71 LYS CB . 25540 1 882 . 1 1 71 71 LYS CG C 13 24.994 0.05 . 1 . . . A 71 LYS CG . 25540 1 883 . 1 1 71 71 LYS CD C 13 29.286 0.05 . 1 . . . A 71 LYS CD . 25540 1 884 . 1 1 71 71 LYS CE C 13 41.965 0.05 . 1 . . . A 71 LYS CE . 25540 1 885 . 1 1 71 71 LYS N N 15 120.790 0.05 . 1 . . . A 71 LYS N . 25540 1 886 . 1 1 72 72 ARG H H 1 8.414 0.01 . 1 . . . A 72 ARG H . 25540 1 887 . 1 1 72 72 ARG HA H 1 4.585 0.01 . 1 . . . A 72 ARG HA . 25540 1 888 . 1 1 72 72 ARG HB2 H 1 1.750 0.01 . 2 . . . A 72 ARG HB2 . 25540 1 889 . 1 1 72 72 ARG HB3 H 1 1.868 0.01 . 2 . . . A 72 ARG HB3 . 25540 1 890 . 1 1 72 72 ARG HG2 H 1 1.585 0.01 . 2 . . . A 72 ARG HG2 . 25540 1 891 . 1 1 72 72 ARG HG3 H 1 1.565 0.01 . 2 . . . A 72 ARG HG3 . 25540 1 892 . 1 1 72 72 ARG HD2 H 1 3.185 0.01 . 2 . . . A 72 ARG HD2 . 25540 1 893 . 1 1 72 72 ARG HD3 H 1 3.185 0.01 . 2 . . . A 72 ARG HD3 . 25540 1 894 . 1 1 72 72 ARG C C 13 175.131 0.05 . 1 . . . A 72 ARG C . 25540 1 895 . 1 1 72 72 ARG CA C 13 54.971 0.05 . 1 . . . A 72 ARG CA . 25540 1 896 . 1 1 72 72 ARG CB C 13 32.338 0.05 . 1 . . . A 72 ARG CB . 25540 1 897 . 1 1 72 72 ARG CG C 13 26.864 0.05 . 1 . . . A 72 ARG CG . 25540 1 898 . 1 1 72 72 ARG CD C 13 43.260 0.05 . 1 . . . A 72 ARG CD . 25540 1 899 . 1 1 72 72 ARG N N 15 121.972 0.05 . 1 . . . A 72 ARG N . 25540 1 900 . 1 1 73 73 LYS H H 1 8.386 0.01 . 1 . . . A 73 LYS H . 25540 1 901 . 1 1 73 73 LYS HA H 1 4.915 0.01 . 1 . . . A 73 LYS HA . 25540 1 902 . 1 1 73 73 LYS HB2 H 1 1.713 0.01 . 2 . . . A 73 LYS HB2 . 25540 1 903 . 1 1 73 73 LYS HB3 H 1 1.713 0.01 . 2 . . . A 73 LYS HB3 . 25540 1 904 . 1 1 73 73 LYS HG2 H 1 1.409 0.01 . 2 . . . A 73 LYS HG2 . 25540 1 905 . 1 1 73 73 LYS HG3 H 1 1.305 0.01 . 2 . . . A 73 LYS HG3 . 25540 1 906 . 1 1 73 73 LYS HD2 H 1 1.615 0.01 . 2 . . . A 73 LYS HD2 . 25540 1 907 . 1 1 73 73 LYS HD3 H 1 1.615 0.01 . 2 . . . A 73 LYS HD3 . 25540 1 908 . 1 1 73 73 LYS HE2 H 1 2.968 0.01 . 2 . . . A 73 LYS HE2 . 25540 1 909 . 1 1 73 73 LYS HE3 H 1 2.968 0.01 . 2 . . . A 73 LYS HE3 . 25540 1 910 . 1 1 73 73 LYS C C 13 176.935 0.05 . 1 . . . A 73 LYS C . 25540 1 911 . 1 1 73 73 LYS CA C 13 55.273 0.05 . 1 . . . A 73 LYS CA . 25540 1 912 . 1 1 73 73 LYS CB C 13 34.561 0.05 . 1 . . . A 73 LYS CB . 25540 1 913 . 1 1 73 73 LYS CG C 13 25.193 0.05 . 1 . . . A 73 LYS CG . 25540 1 914 . 1 1 73 73 LYS CD C 13 29.167 0.05 . 1 . . . A 73 LYS CD . 25540 1 915 . 1 1 73 73 LYS CE C 13 42.036 0.05 . 1 . . . A 73 LYS CE . 25540 1 916 . 1 1 73 73 LYS N N 15 121.176 0.05 . 1 . . . A 73 LYS N . 25540 1 917 . 1 1 74 74 ASP H H 1 8.575 0.01 . 1 . . . A 74 ASP H . 25540 1 918 . 1 1 74 74 ASP HA H 1 4.642 0.01 . 1 . . . A 74 ASP HA . 25540 1 919 . 1 1 74 74 ASP HB2 H 1 2.632 0.01 . 2 . . . A 74 ASP HB2 . 25540 1 920 . 1 1 74 74 ASP HB3 H 1 3.155 0.01 . 2 . . . A 74 ASP HB3 . 25540 1 921 . 1 1 74 74 ASP C C 13 177.387 0.05 . 1 . . . A 74 ASP C . 25540 1 922 . 1 1 74 74 ASP CA C 13 52.817 0.05 . 1 . . . A 74 ASP CA . 25540 1 923 . 1 1 74 74 ASP CB C 13 40.969 0.05 . 1 . . . A 74 ASP CB . 25540 1 924 . 1 1 74 74 ASP N N 15 122.023 0.05 . 1 . . . A 74 ASP N . 25540 1 925 . 1 1 75 75 ASN H H 1 8.419 0.01 . 1 . . . A 75 ASN H . 25540 1 926 . 1 1 75 75 ASN HA H 1 4.527 0.01 . 1 . . . A 75 ASN HA . 25540 1 927 . 1 1 75 75 ASN HB2 H 1 2.848 0.01 . 2 . . . A 75 ASN HB2 . 25540 1 928 . 1 1 75 75 ASN HB3 H 1 2.852 0.01 . 2 . . . A 75 ASN HB3 . 25540 1 929 . 1 1 75 75 ASN HD21 H 1 7.639 0.01 . 2 . . . A 75 ASN HD21 . 25540 1 930 . 1 1 75 75 ASN HD22 H 1 6.936 0.01 . 2 . . . A 75 ASN HD22 . 25540 1 931 . 1 1 75 75 ASN C C 13 175.911 0.05 . 1 . . . A 75 ASN C . 25540 1 932 . 1 1 75 75 ASN CA C 13 54.797 0.05 . 1 . . . A 75 ASN CA . 25540 1 933 . 1 1 75 75 ASN CB C 13 38.208 0.05 . 1 . . . A 75 ASN CB . 25540 1 934 . 1 1 75 75 ASN CG C 13 177.261 0.05 . 1 . . . A 75 ASN CG . 25540 1 935 . 1 1 75 75 ASN N N 15 116.185 0.05 . 1 . . . A 75 ASN N . 25540 1 936 . 1 1 75 75 ASN ND2 N 15 113.031 0.05 . 1 . . . A 75 ASN ND2 . 25540 1 937 . 1 1 76 76 GLU H H 1 8.154 0.01 . 1 . . . A 76 GLU H . 25540 1 938 . 1 1 76 76 GLU HA H 1 4.378 0.01 . 1 . . . A 76 GLU HA . 25540 1 939 . 1 1 76 76 GLU HB2 H 1 2.211 0.01 . 2 . . . A 76 GLU HB2 . 25540 1 940 . 1 1 76 76 GLU HB3 H 1 1.972 0.01 . 2 . . . A 76 GLU HB3 . 25540 1 941 . 1 1 76 76 GLU HG2 H 1 2.205 0.01 . 2 . . . A 76 GLU HG2 . 25540 1 942 . 1 1 76 76 GLU HG3 H 1 2.205 0.01 . 2 . . . A 76 GLU HG3 . 25540 1 943 . 1 1 76 76 GLU C C 13 176.475 0.05 . 1 . . . A 76 GLU C . 25540 1 944 . 1 1 76 76 GLU CA C 13 56.177 0.05 . 1 . . . A 76 GLU CA . 25540 1 945 . 1 1 76 76 GLU CB C 13 30.076 0.05 . 1 . . . A 76 GLU CB . 25540 1 946 . 1 1 76 76 GLU CG C 13 36.624 0.05 . 1 . . . A 76 GLU CG . 25540 1 947 . 1 1 76 76 GLU N N 15 118.907 0.05 . 1 . . . A 76 GLU N . 25540 1 948 . 1 1 77 77 GLY H H 1 8.094 0.01 . 1 . . . A 77 GLY H . 25540 1 949 . 1 1 77 77 GLY HA2 H 1 4.190 0.01 . 2 . . . A 77 GLY HA2 . 25540 1 950 . 1 1 77 77 GLY HA3 H 1 3.651 0.01 . 2 . . . A 77 GLY HA3 . 25540 1 951 . 1 1 77 77 GLY C C 13 174.155 0.05 . 1 . . . A 77 GLY C . 25540 1 952 . 1 1 77 77 GLY CA C 13 45.230 0.05 . 1 . . . A 77 GLY CA . 25540 1 953 . 1 1 77 77 GLY N N 15 108.004 0.05 . 1 . . . A 77 GLY N . 25540 1 954 . 1 1 78 78 ASN H H 1 8.560 0.01 . 1 . . . A 78 ASN H . 25540 1 955 . 1 1 78 78 ASN HA H 1 4.723 0.01 . 1 . . . A 78 ASN HA . 25540 1 956 . 1 1 78 78 ASN HB2 H 1 2.651 0.01 . 2 . . . A 78 ASN HB2 . 25540 1 957 . 1 1 78 78 ASN HB3 H 1 2.837 0.01 . 2 . . . A 78 ASN HB3 . 25540 1 958 . 1 1 78 78 ASN HD21 H 1 7.059 0.01 . 2 . . . A 78 ASN HD21 . 25540 1 959 . 1 1 78 78 ASN HD22 H 1 8.245 0.01 . 2 . . . A 78 ASN HD22 . 25540 1 960 . 1 1 78 78 ASN C C 13 174.939 0.05 . 1 . . . A 78 ASN C . 25540 1 961 . 1 1 78 78 ASN CA C 13 52.930 0.05 . 1 . . . A 78 ASN CA . 25540 1 962 . 1 1 78 78 ASN CB C 13 39.047 0.05 . 1 . . . A 78 ASN CB . 25540 1 963 . 1 1 78 78 ASN N N 15 119.879 0.05 . 1 . . . A 78 ASN N . 25540 1 964 . 1 1 78 78 ASN ND2 N 15 117.145 0.05 . 1 . . . A 78 ASN ND2 . 25540 1 965 . 1 1 79 79 GLU H H 1 8.679 0.01 . 1 . . . A 79 GLU H . 25540 1 966 . 1 1 79 79 GLU HA H 1 4.475 0.01 . 1 . . . A 79 GLU HA . 25540 1 967 . 1 1 79 79 GLU HB2 H 1 1.933 0.01 . 2 . . . A 79 GLU HB2 . 25540 1 968 . 1 1 79 79 GLU HB3 H 1 1.932 0.01 . 2 . . . A 79 GLU HB3 . 25540 1 969 . 1 1 79 79 GLU HG2 H 1 2.107 0.01 . 2 . . . A 79 GLU HG2 . 25540 1 970 . 1 1 79 79 GLU HG3 H 1 2.262 0.01 . 2 . . . A 79 GLU HG3 . 25540 1 971 . 1 1 79 79 GLU C C 13 176.208 0.05 . 1 . . . A 79 GLU C . 25540 1 972 . 1 1 79 79 GLU CA C 13 56.618 0.05 . 1 . . . A 79 GLU CA . 25540 1 973 . 1 1 79 79 GLU CB C 13 30.573 0.05 . 1 . . . A 79 GLU CB . 25540 1 974 . 1 1 79 79 GLU CG C 13 36.644 0.05 . 1 . . . A 79 GLU CG . 25540 1 975 . 1 1 79 79 GLU N N 15 121.609 0.05 . 1 . . . A 79 GLU N . 25540 1 976 . 1 1 80 80 VAL H H 1 8.580 0.01 . 1 . . . A 80 VAL H . 25540 1 977 . 1 1 80 80 VAL HA H 1 4.252 0.01 . 1 . . . A 80 VAL HA . 25540 1 978 . 1 1 80 80 VAL HB H 1 1.955 0.01 . 1 . . . A 80 VAL HB . 25540 1 979 . 1 1 80 80 VAL HG21 H 1 0.854 0.01 . 2 . . . A 80 VAL HG21 . 25540 1 980 . 1 1 80 80 VAL HG22 H 1 0.854 0.01 . 2 . . . A 80 VAL HG22 . 25540 1 981 . 1 1 80 80 VAL HG23 H 1 0.854 0.01 . 2 . . . A 80 VAL HG23 . 25540 1 982 . 1 1 80 80 VAL C C 13 175.435 0.05 . 1 . . . A 80 VAL C . 25540 1 983 . 1 1 80 80 VAL CA C 13 61.361 0.05 . 1 . . . A 80 VAL CA . 25540 1 984 . 1 1 80 80 VAL CB C 13 33.633 0.05 . 1 . . . A 80 VAL CB . 25540 1 985 . 1 1 80 80 VAL CG1 C 13 20.632 0.05 . 2 . . . A 80 VAL CG1 . 25540 1 986 . 1 1 80 80 VAL CG2 C 13 20.839 0.05 . 2 . . . A 80 VAL CG2 . 25540 1 987 . 1 1 80 80 VAL N N 15 123.870 0.05 . 1 . . . A 80 VAL N . 25540 1 988 . 1 1 81 81 VAL H H 1 8.402 0.01 . 1 . . . A 81 VAL H . 25540 1 989 . 1 1 81 81 VAL HA H 1 4.418 0.01 . 1 . . . A 81 VAL HA . 25540 1 990 . 1 1 81 81 VAL HB H 1 2.034 0.01 . 1 . . . A 81 VAL HB . 25540 1 991 . 1 1 81 81 VAL HG11 H 1 0.966 0.01 . 2 . . . A 81 VAL HG11 . 25540 1 992 . 1 1 81 81 VAL HG12 H 1 0.966 0.01 . 2 . . . A 81 VAL HG12 . 25540 1 993 . 1 1 81 81 VAL HG13 H 1 0.966 0.01 . 2 . . . A 81 VAL HG13 . 25540 1 994 . 1 1 81 81 VAL HG21 H 1 0.966 0.01 . 2 . . . A 81 VAL HG21 . 25540 1 995 . 1 1 81 81 VAL HG22 H 1 0.966 0.01 . 2 . . . A 81 VAL HG22 . 25540 1 996 . 1 1 81 81 VAL HG23 H 1 0.966 0.01 . 2 . . . A 81 VAL HG23 . 25540 1 997 . 1 1 81 81 VAL CA C 13 59.626 0.05 . 1 . . . A 81 VAL CA . 25540 1 998 . 1 1 81 81 VAL CB C 13 33.062 0.05 . 1 . . . A 81 VAL CB . 25540 1 999 . 1 1 81 81 VAL CG1 C 13 21.130 0.05 . 2 . . . A 81 VAL CG1 . 25540 1 1000 . 1 1 81 81 VAL N N 15 126.420 0.05 . 1 . . . A 81 VAL N . 25540 1 1001 . 1 1 82 82 PRO HA H 1 4.417 0.01 . 1 . . . A 82 PRO HA . 25540 1 1002 . 1 1 82 82 PRO HB2 H 1 2.246 0.01 . 2 . . . A 82 PRO HB2 . 25540 1 1003 . 1 1 82 82 PRO HB3 H 1 2.246 0.01 . 2 . . . A 82 PRO HB3 . 25540 1 1004 . 1 1 82 82 PRO HG2 H 1 2.027 0.01 . 2 . . . A 82 PRO HG2 . 25540 1 1005 . 1 1 82 82 PRO HG3 H 1 1.928 0.01 . 2 . . . A 82 PRO HG3 . 25540 1 1006 . 1 1 82 82 PRO HD2 H 1 3.836 0.01 . 2 . . . A 82 PRO HD2 . 25540 1 1007 . 1 1 82 82 PRO HD3 H 1 3.618 0.01 . 2 . . . A 82 PRO HD3 . 25540 1 1008 . 1 1 82 82 PRO C C 13 175.972 0.05 . 1 . . . A 82 PRO C . 25540 1 1009 . 1 1 82 82 PRO CA C 13 62.565 0.05 . 1 . . . A 82 PRO CA . 25540 1 1010 . 1 1 82 82 PRO CB C 13 32.251 0.05 . 1 . . . A 82 PRO CB . 25540 1 1011 . 1 1 82 82 PRO CG C 13 27.538 0.05 . 1 . . . A 82 PRO CG . 25540 1 1012 . 1 1 82 82 PRO CD C 13 50.995 0.05 . 1 . . . A 82 PRO CD . 25540 1 1013 . 1 1 83 83 LYS H H 1 8.294 0.01 . 1 . . . A 83 LYS H . 25540 1 1014 . 1 1 83 83 LYS HA H 1 4.536 0.01 . 1 . . . A 83 LYS HA . 25540 1 1015 . 1 1 83 83 LYS HB2 H 1 1.792 0.01 . 2 . . . A 83 LYS HB2 . 25540 1 1016 . 1 1 83 83 LYS HB3 H 1 1.792 0.01 . 2 . . . A 83 LYS HB3 . 25540 1 1017 . 1 1 83 83 LYS HG2 H 1 1.672 0.01 . 2 . . . A 83 LYS HG2 . 25540 1 1018 . 1 1 83 83 LYS HG3 H 1 1.672 0.01 . 2 . . . A 83 LYS HG3 . 25540 1 1019 . 1 1 83 83 LYS CA C 13 53.798 0.05 . 1 . . . A 83 LYS CA . 25540 1 1020 . 1 1 83 83 LYS CB C 13 32.409 0.05 . 1 . . . A 83 LYS CB . 25540 1 1021 . 1 1 83 83 LYS N N 15 121.636 0.05 . 1 . . . A 83 LYS N . 25540 1 1022 . 1 1 84 84 PRO HA H 1 4.284 0.01 . 1 . . . A 84 PRO HA . 25540 1 1023 . 1 1 84 84 PRO HB2 H 1 2.232 0.01 . 2 . . . A 84 PRO HB2 . 25540 1 1024 . 1 1 84 84 PRO HB3 H 1 2.232 0.01 . 2 . . . A 84 PRO HB3 . 25540 1 1025 . 1 1 84 84 PRO HG2 H 1 1.794 0.01 . 2 . . . A 84 PRO HG2 . 25540 1 1026 . 1 1 84 84 PRO HG3 H 1 1.905 0.01 . 2 . . . A 84 PRO HG3 . 25540 1 1027 . 1 1 84 84 PRO HD2 H 1 3.755 0.01 . 2 . . . A 84 PRO HD2 . 25540 1 1028 . 1 1 84 84 PRO HD3 H 1 3.601 0.01 . 2 . . . A 84 PRO HD3 . 25540 1 1029 . 1 1 84 84 PRO C C 13 176.764 0.05 . 1 . . . A 84 PRO C . 25540 1 1030 . 1 1 84 84 PRO CA C 13 62.493 0.05 . 1 . . . A 84 PRO CA . 25540 1 1031 . 1 1 84 84 PRO CB C 13 32.655 0.05 . 1 . . . A 84 PRO CB . 25540 1 1032 . 1 1 84 84 PRO CG C 13 27.237 0.05 . 1 . . . A 84 PRO CG . 25540 1 1033 . 1 1 84 84 PRO CD C 13 50.439 0.05 . 1 . . . A 84 PRO CD . 25540 1 1034 . 1 1 85 85 GLN H H 1 8.452 0.01 . 1 . . . A 85 GLN H . 25540 1 1035 . 1 1 85 85 GLN HA H 1 4.132 0.01 . 1 . . . A 85 GLN HA . 25540 1 1036 . 1 1 85 85 GLN HB2 H 1 1.841 0.01 . 2 . . . A 85 GLN HB2 . 25540 1 1037 . 1 1 85 85 GLN HB3 H 1 1.933 0.01 . 2 . . . A 85 GLN HB3 . 25540 1 1038 . 1 1 85 85 GLN HG2 H 1 2.184 0.01 . 2 . . . A 85 GLN HG2 . 25540 1 1039 . 1 1 85 85 GLN HG3 H 1 2.333 0.01 . 2 . . . A 85 GLN HG3 . 25540 1 1040 . 1 1 85 85 GLN HE21 H 1 7.005 0.01 . 2 . . . A 85 GLN HE21 . 25540 1 1041 . 1 1 85 85 GLN HE22 H 1 7.611 0.01 . 2 . . . A 85 GLN HE22 . 25540 1 1042 . 1 1 85 85 GLN C C 13 174.852 0.05 . 1 . . . A 85 GLN C . 25540 1 1043 . 1 1 85 85 GLN CA C 13 56.060 0.05 . 1 . . . A 85 GLN CA . 25540 1 1044 . 1 1 85 85 GLN CB C 13 29.855 0.05 . 1 . . . A 85 GLN CB . 25540 1 1045 . 1 1 85 85 GLN CG C 13 34.054 0.05 . 1 . . . A 85 GLN CG . 25540 1 1046 . 1 1 85 85 GLN N N 15 121.416 0.05 . 1 . . . A 85 GLN N . 25540 1 1047 . 1 1 85 85 GLN NE2 N 15 112.585 0.05 . 1 . . . A 85 GLN NE2 . 25540 1 1048 . 1 1 86 86 ARG H H 1 8.250 0.01 . 1 . . . A 86 ARG H . 25540 1 1049 . 1 1 86 86 ARG HA H 1 5.172 0.01 . 1 . . . A 86 ARG HA . 25540 1 1050 . 1 1 86 86 ARG HB2 H 1 1.634 0.01 . 2 . . . A 86 ARG HB2 . 25540 1 1051 . 1 1 86 86 ARG HB3 H 1 1.634 0.01 . 2 . . . A 86 ARG HB3 . 25540 1 1052 . 1 1 86 86 ARG HG2 H 1 1.358 0.01 . 2 . . . A 86 ARG HG2 . 25540 1 1053 . 1 1 86 86 ARG HG3 H 1 1.358 0.01 . 2 . . . A 86 ARG HG3 . 25540 1 1054 . 1 1 86 86 ARG HD2 H 1 2.945 0.01 . 2 . . . A 86 ARG HD2 . 25540 1 1055 . 1 1 86 86 ARG HD3 H 1 2.945 0.01 . 2 . . . A 86 ARG HD3 . 25540 1 1056 . 1 1 86 86 ARG C C 13 174.992 0.05 . 1 . . . A 86 ARG C . 25540 1 1057 . 1 1 86 86 ARG CA C 13 54.402 0.05 . 1 . . . A 86 ARG CA . 25540 1 1058 . 1 1 86 86 ARG CB C 13 33.429 0.05 . 1 . . . A 86 ARG CB . 25540 1 1059 . 1 1 86 86 ARG CG C 13 27.263 0.05 . 1 . . . A 86 ARG CG . 25540 1 1060 . 1 1 86 86 ARG CD C 13 43.695 0.05 . 1 . . . A 86 ARG CD . 25540 1 1061 . 1 1 86 86 ARG N N 15 120.936 0.05 . 1 . . . A 86 ARG N . 25540 1 1062 . 1 1 87 87 HIS H H 1 8.640 0.01 . 1 . . . A 87 HIS H . 25540 1 1063 . 1 1 87 87 HIS HA H 1 4.709 0.01 . 1 . . . A 87 HIS HA . 25540 1 1064 . 1 1 87 87 HIS HB2 H 1 2.715 0.01 . 2 . . . A 87 HIS HB2 . 25540 1 1065 . 1 1 87 87 HIS HB3 H 1 3.242 0.01 . 2 . . . A 87 HIS HB3 . 25540 1 1066 . 1 1 87 87 HIS HD2 H 1 6.685 0.01 . 1 . . . A 87 HIS HD2 . 25540 1 1067 . 1 1 87 87 HIS HE1 H 1 8.040 0.01 . 1 . . . A 87 HIS HE1 . 25540 1 1068 . 1 1 87 87 HIS C C 13 173.682 0.05 . 1 . . . A 87 HIS C . 25540 1 1069 . 1 1 87 87 HIS CA C 13 54.309 0.05 . 1 . . . A 87 HIS CA . 25540 1 1070 . 1 1 87 87 HIS CB C 13 33.219 0.05 . 1 . . . A 87 HIS CB . 25540 1 1071 . 1 1 87 87 HIS CD2 C 13 118.336 0.05 . 1 . . . A 87 HIS CD2 . 25540 1 1072 . 1 1 87 87 HIS CE1 C 13 139.118 0.05 . 1 . . . A 87 HIS CE1 . 25540 1 1073 . 1 1 87 87 HIS N N 15 120.565 0.05 . 1 . . . A 87 HIS N . 25540 1 1074 . 1 1 88 88 MET H H 1 8.732 0.01 . 1 . . . A 88 MET H . 25540 1 1075 . 1 1 88 88 MET HA H 1 5.314 0.01 . 1 . . . A 88 MET HA . 25540 1 1076 . 1 1 88 88 MET HB2 H 1 1.604 0.01 . 2 . . . A 88 MET HB2 . 25540 1 1077 . 1 1 88 88 MET HB3 H 1 1.977 0.01 . 2 . . . A 88 MET HB3 . 25540 1 1078 . 1 1 88 88 MET HG2 H 1 2.451 0.01 . 2 . . . A 88 MET HG2 . 25540 1 1079 . 1 1 88 88 MET HG3 H 1 2.373 0.01 . 2 . . . A 88 MET HG3 . 25540 1 1080 . 1 1 88 88 MET HE1 H 1 1.992 0.01 . 1 . . . A 88 MET HE1 . 25540 1 1081 . 1 1 88 88 MET HE2 H 1 1.992 0.01 . 1 . . . A 88 MET HE2 . 25540 1 1082 . 1 1 88 88 MET HE3 H 1 1.992 0.01 . 1 . . . A 88 MET HE3 . 25540 1 1083 . 1 1 88 88 MET C C 13 173.456 0.05 . 1 . . . A 88 MET C . 25540 1 1084 . 1 1 88 88 MET CA C 13 54.846 0.05 . 1 . . . A 88 MET CA . 25540 1 1085 . 1 1 88 88 MET CB C 13 35.530 0.05 . 1 . . . A 88 MET CB . 25540 1 1086 . 1 1 88 88 MET CG C 13 32.542 0.05 . 1 . . . A 88 MET CG . 25540 1 1087 . 1 1 88 88 MET CE C 13 17.729 0.05 . 1 . . . A 88 MET CE . 25540 1 1088 . 1 1 88 88 MET N N 15 126.604 0.05 . 1 . . . A 88 MET N . 25540 1 1089 . 1 1 89 89 PHE H H 1 9.010 0.01 . 1 . . . A 89 PHE H . 25540 1 1090 . 1 1 89 89 PHE HA H 1 5.204 0.01 . 1 . . . A 89 PHE HA . 25540 1 1091 . 1 1 89 89 PHE HB2 H 1 2.585 0.01 . 2 . . . A 89 PHE HB2 . 25540 1 1092 . 1 1 89 89 PHE HB3 H 1 2.585 0.01 . 2 . . . A 89 PHE HB3 . 25540 1 1093 . 1 1 89 89 PHE HD1 H 1 6.836 0.01 . 3 . . . A 89 PHE HD1 . 25540 1 1094 . 1 1 89 89 PHE HD2 H 1 6.836 0.01 . 3 . . . A 89 PHE HD2 . 25540 1 1095 . 1 1 89 89 PHE HE1 H 1 6.669 0.01 . 3 . . . A 89 PHE HE1 . 25540 1 1096 . 1 1 89 89 PHE HE2 H 1 6.669 0.01 . 3 . . . A 89 PHE HE2 . 25540 1 1097 . 1 1 89 89 PHE HZ H 1 6.573 0.01 . 1 . . . A 89 PHE HZ . 25540 1 1098 . 1 1 89 89 PHE C C 13 174.358 0.05 . 1 . . . A 89 PHE C . 25540 1 1099 . 1 1 89 89 PHE CA C 13 56.393 0.05 . 1 . . . A 89 PHE CA . 25540 1 1100 . 1 1 89 89 PHE CB C 13 44.121 0.05 . 1 . . . A 89 PHE CB . 25540 1 1101 . 1 1 89 89 PHE CD1 C 13 131.664 0.05 . 3 . . . A 89 PHE CD1 . 25540 1 1102 . 1 1 89 89 PHE CD2 C 13 131.664 0.05 . 3 . . . A 89 PHE CD2 . 25540 1 1103 . 1 1 89 89 PHE CE1 C 13 130.762 0.05 . 3 . . . A 89 PHE CE1 . 25540 1 1104 . 1 1 89 89 PHE CE2 C 13 130.762 0.05 . 3 . . . A 89 PHE CE2 . 25540 1 1105 . 1 1 89 89 PHE CZ C 13 127.907 0.05 . 1 . . . A 89 PHE CZ . 25540 1 1106 . 1 1 89 89 PHE N N 15 122.330 0.05 . 1 . . . A 89 PHE N . 25540 1 1107 . 1 1 90 90 SER H H 1 8.668 0.01 . 1 . . . A 90 SER H . 25540 1 1108 . 1 1 90 90 SER HA H 1 5.688 0.01 . 1 . . . A 90 SER HA . 25540 1 1109 . 1 1 90 90 SER HB2 H 1 3.848 0.01 . 2 . . . A 90 SER HB2 . 25540 1 1110 . 1 1 90 90 SER HB3 H 1 3.726 0.01 . 2 . . . A 90 SER HB3 . 25540 1 1111 . 1 1 90 90 SER C C 13 173.008 0.05 . 1 . . . A 90 SER C . 25540 1 1112 . 1 1 90 90 SER CA C 13 56.662 0.05 . 1 . . . A 90 SER CA . 25540 1 1113 . 1 1 90 90 SER CB C 13 64.633 0.05 . 1 . . . A 90 SER CB . 25540 1 1114 . 1 1 90 90 SER N N 15 116.015 0.05 . 1 . . . A 90 SER N . 25540 1 1115 . 1 1 91 91 PHE H H 1 9.034 0.01 . 1 . . . A 91 PHE H . 25540 1 1116 . 1 1 91 91 PHE HA H 1 4.891 0.01 . 1 . . . A 91 PHE HA . 25540 1 1117 . 1 1 91 91 PHE HB2 H 1 2.815 0.01 . 2 . . . A 91 PHE HB2 . 25540 1 1118 . 1 1 91 91 PHE HB3 H 1 3.331 0.01 . 2 . . . A 91 PHE HB3 . 25540 1 1119 . 1 1 91 91 PHE HD1 H 1 7.492 0.01 . 3 . . . A 91 PHE HD1 . 25540 1 1120 . 1 1 91 91 PHE HD2 H 1 7.492 0.01 . 3 . . . A 91 PHE HD2 . 25540 1 1121 . 1 1 91 91 PHE HE1 H 1 7.107 0.01 . 3 . . . A 91 PHE HE1 . 25540 1 1122 . 1 1 91 91 PHE HE2 H 1 7.107 0.01 . 3 . . . A 91 PHE HE2 . 25540 1 1123 . 1 1 91 91 PHE HZ H 1 6.831 0.01 . 1 . . . A 91 PHE HZ . 25540 1 1124 . 1 1 91 91 PHE C C 13 174.404 0.05 . 1 . . . A 91 PHE C . 25540 1 1125 . 1 1 91 91 PHE CA C 13 57.407 0.05 . 1 . . . A 91 PHE CA . 25540 1 1126 . 1 1 91 91 PHE CB C 13 43.362 0.05 . 1 . . . A 91 PHE CB . 25540 1 1127 . 1 1 91 91 PHE CD1 C 13 132.890 0.05 . 3 . . . A 91 PHE CD1 . 25540 1 1128 . 1 1 91 91 PHE CD2 C 13 132.890 0.05 . 3 . . . A 91 PHE CD2 . 25540 1 1129 . 1 1 91 91 PHE CE1 C 13 130.954 0.05 . 3 . . . A 91 PHE CE1 . 25540 1 1130 . 1 1 91 91 PHE CE2 C 13 130.954 0.05 . 3 . . . A 91 PHE CE2 . 25540 1 1131 . 1 1 91 91 PHE CZ C 13 127.480 0.05 . 1 . . . A 91 PHE CZ . 25540 1 1132 . 1 1 91 91 PHE N N 15 120.694 0.05 . 1 . . . A 91 PHE N . 25540 1 1133 . 1 1 92 92 ASN H H 1 9.124 0.01 . 1 . . . A 92 ASN H . 25540 1 1134 . 1 1 92 92 ASN HA H 1 5.091 0.01 . 1 . . . A 92 ASN HA . 25540 1 1135 . 1 1 92 92 ASN HB2 H 1 2.918 0.01 . 2 . . . A 92 ASN HB2 . 25540 1 1136 . 1 1 92 92 ASN HB3 H 1 2.912 0.01 . 2 . . . A 92 ASN HB3 . 25540 1 1137 . 1 1 92 92 ASN HD21 H 1 6.812 0.01 . 2 . . . A 92 ASN HD21 . 25540 1 1138 . 1 1 92 92 ASN HD22 H 1 7.592 0.01 . 2 . . . A 92 ASN HD22 . 25540 1 1139 . 1 1 92 92 ASN C C 13 174.806 0.05 . 1 . . . A 92 ASN C . 25540 1 1140 . 1 1 92 92 ASN CA C 13 52.209 0.05 . 1 . . . A 92 ASN CA . 25540 1 1141 . 1 1 92 92 ASN CB C 13 39.968 0.05 . 1 . . . A 92 ASN CB . 25540 1 1142 . 1 1 92 92 ASN N N 15 115.828 0.05 . 1 . . . A 92 ASN N . 25540 1 1143 . 1 1 92 92 ASN ND2 N 15 111.165 0.05 . 1 . . . A 92 ASN ND2 . 25540 1 1144 . 1 1 93 93 ASN H H 1 7.272 0.01 . 1 . . . A 93 ASN H . 25540 1 1145 . 1 1 93 93 ASN HA H 1 4.896 0.01 . 1 . . . A 93 ASN HA . 25540 1 1146 . 1 1 93 93 ASN HB2 H 1 2.909 0.01 . 2 . . . A 93 ASN HB2 . 25540 1 1147 . 1 1 93 93 ASN HB3 H 1 2.829 0.01 . 2 . . . A 93 ASN HB3 . 25540 1 1148 . 1 1 93 93 ASN HD21 H 1 7.900 0.01 . 2 . . . A 93 ASN HD21 . 25540 1 1149 . 1 1 93 93 ASN HD22 H 1 7.197 0.01 . 2 . . . A 93 ASN HD22 . 25540 1 1150 . 1 1 93 93 ASN C C 13 174.500 0.05 . 1 . . . A 93 ASN C . 25540 1 1151 . 1 1 93 93 ASN CA C 13 52.983 0.05 . 1 . . . A 93 ASN CA . 25540 1 1152 . 1 1 93 93 ASN CB C 13 41.935 0.05 . 1 . . . A 93 ASN CB . 25540 1 1153 . 1 1 93 93 ASN N N 15 118.291 0.05 . 1 . . . A 93 ASN N . 25540 1 1154 . 1 1 93 93 ASN ND2 N 15 113.932 0.05 . 1 . . . A 93 ASN ND2 . 25540 1 1155 . 1 1 94 94 ARG H H 1 9.319 0.01 . 1 . . . A 94 ARG H . 25540 1 1156 . 1 1 94 94 ARG HA H 1 3.862 0.01 . 1 . . . A 94 ARG HA . 25540 1 1157 . 1 1 94 94 ARG HB2 H 1 2.012 0.01 . 2 . . . A 94 ARG HB2 . 25540 1 1158 . 1 1 94 94 ARG HB3 H 1 1.803 0.01 . 2 . . . A 94 ARG HB3 . 25540 1 1159 . 1 1 94 94 ARG HG2 H 1 1.649 0.01 . 2 . . . A 94 ARG HG2 . 25540 1 1160 . 1 1 94 94 ARG HG3 H 1 1.787 0.01 . 2 . . . A 94 ARG HG3 . 25540 1 1161 . 1 1 94 94 ARG HD2 H 1 3.370 0.01 . 2 . . . A 94 ARG HD2 . 25540 1 1162 . 1 1 94 94 ARG HD3 H 1 3.115 0.01 . 2 . . . A 94 ARG HD3 . 25540 1 1163 . 1 1 94 94 ARG C C 13 176.714 0.05 . 1 . . . A 94 ARG C . 25540 1 1164 . 1 1 94 94 ARG CA C 13 59.161 0.05 . 1 . . . A 94 ARG CA . 25540 1 1165 . 1 1 94 94 ARG CB C 13 30.096 0.05 . 1 . . . A 94 ARG CB . 25540 1 1166 . 1 1 94 94 ARG CG C 13 26.651 0.05 . 1 . . . A 94 ARG CG . 25540 1 1167 . 1 1 94 94 ARG CD C 13 42.521 0.05 . 1 . . . A 94 ARG CD . 25540 1 1168 . 1 1 94 94 ARG N N 15 128.964 0.05 . 1 . . . A 94 ARG N . 25540 1 1169 . 1 1 95 95 THR H H 1 7.997 0.01 . 1 . . . A 95 THR H . 25540 1 1170 . 1 1 95 95 THR HA H 1 4.022 0.01 . 1 . . . A 95 THR HA . 25540 1 1171 . 1 1 95 95 THR HB H 1 4.328 0.01 . 1 . . . A 95 THR HB . 25540 1 1172 . 1 1 95 95 THR HG21 H 1 1.280 0.01 . 1 . . . A 95 THR HG21 . 25540 1 1173 . 1 1 95 95 THR HG22 H 1 1.280 0.01 . 1 . . . A 95 THR HG22 . 25540 1 1174 . 1 1 95 95 THR HG23 H 1 1.280 0.01 . 1 . . . A 95 THR HG23 . 25540 1 1175 . 1 1 95 95 THR C C 13 176.610 0.05 . 1 . . . A 95 THR C . 25540 1 1176 . 1 1 95 95 THR CA C 13 66.333 0.05 . 1 . . . A 95 THR CA . 25540 1 1177 . 1 1 95 95 THR CB C 13 68.284 0.05 . 1 . . . A 95 THR CB . 25540 1 1178 . 1 1 95 95 THR CG2 C 13 21.958 0.05 . 1 . . . A 95 THR CG2 . 25540 1 1179 . 1 1 95 95 THR N N 15 115.620 0.05 . 1 . . . A 95 THR N . 25540 1 1180 . 1 1 96 96 VAL H H 1 7.590 0.01 . 1 . . . A 96 VAL H . 25540 1 1181 . 1 1 96 96 VAL HA H 1 3.769 0.01 . 1 . . . A 96 VAL HA . 25540 1 1182 . 1 1 96 96 VAL HB H 1 2.383 0.01 . 1 . . . A 96 VAL HB . 25540 1 1183 . 1 1 96 96 VAL HG11 H 1 1.275 0.01 . 2 . . . A 96 VAL HG11 . 25540 1 1184 . 1 1 96 96 VAL HG12 H 1 1.275 0.01 . 2 . . . A 96 VAL HG12 . 25540 1 1185 . 1 1 96 96 VAL HG13 H 1 1.275 0.01 . 2 . . . A 96 VAL HG13 . 25540 1 1186 . 1 1 96 96 VAL HG21 H 1 1.275 0.01 . 2 . . . A 96 VAL HG21 . 25540 1 1187 . 1 1 96 96 VAL HG22 H 1 1.275 0.01 . 2 . . . A 96 VAL HG22 . 25540 1 1188 . 1 1 96 96 VAL HG23 H 1 1.275 0.01 . 2 . . . A 96 VAL HG23 . 25540 1 1189 . 1 1 96 96 VAL C C 13 177.458 0.05 . 1 . . . A 96 VAL C . 25540 1 1190 . 1 1 96 96 VAL CA C 13 66.023 0.05 . 1 . . . A 96 VAL CA . 25540 1 1191 . 1 1 96 96 VAL CB C 13 32.228 0.05 . 1 . . . A 96 VAL CB . 25540 1 1192 . 1 1 96 96 VAL CG1 C 13 21.447 0.05 . 2 . . . A 96 VAL CG1 . 25540 1 1193 . 1 1 96 96 VAL CG2 C 13 21.447 0.05 . 2 . . . A 96 VAL CG2 . 25540 1 1194 . 1 1 96 96 VAL N N 15 121.797 0.05 . 1 . . . A 96 VAL N . 25540 1 1195 . 1 1 97 97 MET H H 1 7.324 0.01 . 1 . . . A 97 MET H . 25540 1 1196 . 1 1 97 97 MET HA H 1 2.326 0.01 . 1 . . . A 97 MET HA . 25540 1 1197 . 1 1 97 97 MET HB2 H 1 1.631 0.01 . 2 . . . A 97 MET HB2 . 25540 1 1198 . 1 1 97 97 MET HB3 H 1 1.632 0.01 . 2 . . . A 97 MET HB3 . 25540 1 1199 . 1 1 97 97 MET HG2 H 1 1.914 0.01 . 2 . . . A 97 MET HG2 . 25540 1 1200 . 1 1 97 97 MET HG3 H 1 2.326 0.01 . 2 . . . A 97 MET HG3 . 25540 1 1201 . 1 1 97 97 MET HE1 H 1 2.130 0.01 . 1 . . . A 97 MET HE1 . 25540 1 1202 . 1 1 97 97 MET HE2 H 1 2.130 0.01 . 1 . . . A 97 MET HE2 . 25540 1 1203 . 1 1 97 97 MET HE3 H 1 2.130 0.01 . 1 . . . A 97 MET HE3 . 25540 1 1204 . 1 1 97 97 MET C C 13 177.129 0.05 . 1 . . . A 97 MET C . 25540 1 1205 . 1 1 97 97 MET CA C 13 59.601 0.05 . 1 . . . A 97 MET CA . 25540 1 1206 . 1 1 97 97 MET CB C 13 32.599 0.05 . 1 . . . A 97 MET CB . 25540 1 1207 . 1 1 97 97 MET CG C 13 32.264 0.05 . 1 . . . A 97 MET CG . 25540 1 1208 . 1 1 97 97 MET CE C 13 19.214 0.05 . 1 . . . A 97 MET CE . 25540 1 1209 . 1 1 97 97 MET N N 15 117.351 0.05 . 1 . . . A 97 MET N . 25540 1 1210 . 1 1 98 98 ASP H H 1 8.703 0.01 . 1 . . . A 98 ASP H . 25540 1 1211 . 1 1 98 98 ASP HA H 1 4.307 0.01 . 1 . . . A 98 ASP HA . 25540 1 1212 . 1 1 98 98 ASP HB2 H 1 2.562 0.01 . 2 . . . A 98 ASP HB2 . 25540 1 1213 . 1 1 98 98 ASP HB3 H 1 2.733 0.01 . 2 . . . A 98 ASP HB3 . 25540 1 1214 . 1 1 98 98 ASP C C 13 178.760 0.05 . 1 . . . A 98 ASP C . 25540 1 1215 . 1 1 98 98 ASP CA C 13 57.695 0.05 . 1 . . . A 98 ASP CA . 25540 1 1216 . 1 1 98 98 ASP CB C 13 39.793 0.05 . 1 . . . A 98 ASP CB . 25540 1 1217 . 1 1 98 98 ASP N N 15 118.005 0.05 . 1 . . . A 98 ASP N . 25540 1 1218 . 1 1 99 99 ASN H H 1 8.102 0.01 . 1 . . . A 99 ASN H . 25540 1 1219 . 1 1 99 99 ASN HA H 1 4.475 0.01 . 1 . . . A 99 ASN HA . 25540 1 1220 . 1 1 99 99 ASN HB2 H 1 2.839 0.01 . 2 . . . A 99 ASN HB2 . 25540 1 1221 . 1 1 99 99 ASN HB3 H 1 3.049 0.01 . 2 . . . A 99 ASN HB3 . 25540 1 1222 . 1 1 99 99 ASN HD21 H 1 7.446 0.01 . 2 . . . A 99 ASN HD21 . 25540 1 1223 . 1 1 99 99 ASN HD22 H 1 6.948 0.01 . 2 . . . A 99 ASN HD22 . 25540 1 1224 . 1 1 99 99 ASN C C 13 178.049 0.05 . 1 . . . A 99 ASN C . 25540 1 1225 . 1 1 99 99 ASN CA C 13 56.120 0.05 . 1 . . . A 99 ASN CA . 25540 1 1226 . 1 1 99 99 ASN CB C 13 38.484 0.05 . 1 . . . A 99 ASN CB . 25540 1 1227 . 1 1 99 99 ASN N N 15 120.289 0.05 . 1 . . . A 99 ASN N . 25540 1 1228 . 1 1 99 99 ASN ND2 N 15 111.435 0.05 . 1 . . . A 99 ASN ND2 . 25540 1 1229 . 1 1 100 100 ILE H H 1 8.029 0.01 . 1 . . . A 100 ILE H . 25540 1 1230 . 1 1 100 100 ILE HA H 1 3.632 0.01 . 1 . . . A 100 ILE HA . 25540 1 1231 . 1 1 100 100 ILE HB H 1 1.925 0.01 . 1 . . . A 100 ILE HB . 25540 1 1232 . 1 1 100 100 ILE HG12 H 1 1.293 0.01 . 2 . . . A 100 ILE HG12 . 25540 1 1233 . 1 1 100 100 ILE HG13 H 1 1.293 0.01 . 2 . . . A 100 ILE HG13 . 25540 1 1234 . 1 1 100 100 ILE HG21 H 1 0.723 0.01 . 1 . . . A 100 ILE HG21 . 25540 1 1235 . 1 1 100 100 ILE HG22 H 1 0.723 0.01 . 1 . . . A 100 ILE HG22 . 25540 1 1236 . 1 1 100 100 ILE HG23 H 1 0.723 0.01 . 1 . . . A 100 ILE HG23 . 25540 1 1237 . 1 1 100 100 ILE HD11 H 1 0.536 0.01 . 1 . . . A 100 ILE HD11 . 25540 1 1238 . 1 1 100 100 ILE HD12 H 1 0.536 0.01 . 1 . . . A 100 ILE HD12 . 25540 1 1239 . 1 1 100 100 ILE HD13 H 1 0.536 0.01 . 1 . . . A 100 ILE HD13 . 25540 1 1240 . 1 1 100 100 ILE C C 13 177.363 0.05 . 1 . . . A 100 ILE C . 25540 1 1241 . 1 1 100 100 ILE CA C 13 62.735 0.05 . 1 . . . A 100 ILE CA . 25540 1 1242 . 1 1 100 100 ILE CB C 13 35.716 0.05 . 1 . . . A 100 ILE CB . 25540 1 1243 . 1 1 100 100 ILE CG1 C 13 28.292 0.05 . 1 . . . A 100 ILE CG1 . 25540 1 1244 . 1 1 100 100 ILE CG2 C 13 17.311 0.05 . 1 . . . A 100 ILE CG2 . 25540 1 1245 . 1 1 100 100 ILE CD1 C 13 9.502 0.05 . 1 . . . A 100 ILE CD1 . 25540 1 1246 . 1 1 100 100 ILE N N 15 121.008 0.05 . 1 . . . A 100 ILE N . 25540 1 1247 . 1 1 101 101 LYS H H 1 8.905 0.01 . 1 . . . A 101 LYS H . 25540 1 1248 . 1 1 101 101 LYS HA H 1 3.660 0.01 . 1 . . . A 101 LYS HA . 25540 1 1249 . 1 1 101 101 LYS HB2 H 1 1.890 0.01 . 2 . . . A 101 LYS HB2 . 25540 1 1250 . 1 1 101 101 LYS HB3 H 1 2.126 0.01 . 2 . . . A 101 LYS HB3 . 25540 1 1251 . 1 1 101 101 LYS HG2 H 1 1.311 0.01 . 2 . . . A 101 LYS HG2 . 25540 1 1252 . 1 1 101 101 LYS HG3 H 1 1.366 0.01 . 2 . . . A 101 LYS HG3 . 25540 1 1253 . 1 1 101 101 LYS HD2 H 1 1.511 0.01 . 2 . . . A 101 LYS HD2 . 25540 1 1254 . 1 1 101 101 LYS HD3 H 1 1.511 0.01 . 2 . . . A 101 LYS HD3 . 25540 1 1255 . 1 1 101 101 LYS HE2 H 1 2.898 0.01 . 2 . . . A 101 LYS HE2 . 25540 1 1256 . 1 1 101 101 LYS HE3 H 1 2.898 0.01 . 2 . . . A 101 LYS HE3 . 25540 1 1257 . 1 1 101 101 LYS C C 13 177.135 0.05 . 1 . . . A 101 LYS C . 25540 1 1258 . 1 1 101 101 LYS CA C 13 60.407 0.05 . 1 . . . A 101 LYS CA . 25540 1 1259 . 1 1 101 101 LYS CB C 13 32.896 0.05 . 1 . . . A 101 LYS CB . 25540 1 1260 . 1 1 101 101 LYS CG C 13 23.913 0.05 . 1 . . . A 101 LYS CG . 25540 1 1261 . 1 1 101 101 LYS CD C 13 29.475 0.05 . 1 . . . A 101 LYS CD . 25540 1 1262 . 1 1 101 101 LYS CE C 13 41.028 0.05 . 1 . . . A 101 LYS CE . 25540 1 1263 . 1 1 101 101 LYS N N 15 120.688 0.05 . 1 . . . A 101 LYS N . 25540 1 1264 . 1 1 102 102 MET H H 1 8.051 0.01 . 1 . . . A 102 MET H . 25540 1 1265 . 1 1 102 102 MET HA H 1 4.217 0.01 . 1 . . . A 102 MET HA . 25540 1 1266 . 1 1 102 102 MET HB2 H 1 2.115 0.01 . 2 . . . A 102 MET HB2 . 25540 1 1267 . 1 1 102 102 MET HB3 H 1 2.220 0.01 . 2 . . . A 102 MET HB3 . 25540 1 1268 . 1 1 102 102 MET HG2 H 1 2.729 0.01 . 2 . . . A 102 MET HG2 . 25540 1 1269 . 1 1 102 102 MET HG3 H 1 2.619 0.01 . 2 . . . A 102 MET HG3 . 25540 1 1270 . 1 1 102 102 MET HE1 H 1 2.087 0.01 . 1 . . . A 102 MET HE1 . 25540 1 1271 . 1 1 102 102 MET HE2 H 1 2.087 0.01 . 1 . . . A 102 MET HE2 . 25540 1 1272 . 1 1 102 102 MET HE3 H 1 2.087 0.01 . 1 . . . A 102 MET HE3 . 25540 1 1273 . 1 1 102 102 MET C C 13 178.914 0.05 . 1 . . . A 102 MET C . 25540 1 1274 . 1 1 102 102 MET CA C 13 58.524 0.05 . 1 . . . A 102 MET CA . 25540 1 1275 . 1 1 102 102 MET CB C 13 32.514 0.05 . 1 . . . A 102 MET CB . 25540 1 1276 . 1 1 102 102 MET CG C 13 31.950 0.05 . 1 . . . A 102 MET CG . 25540 1 1277 . 1 1 102 102 MET CE C 13 16.805 0.05 . 1 . . . A 102 MET CE . 25540 1 1278 . 1 1 102 102 MET N N 15 116.315 0.05 . 1 . . . A 102 MET N . 25540 1 1279 . 1 1 103 103 THR H H 1 7.707 0.01 . 1 . . . A 103 THR H . 25540 1 1280 . 1 1 103 103 THR HA H 1 4.072 0.01 . 1 . . . A 103 THR HA . 25540 1 1281 . 1 1 103 103 THR HB H 1 3.980 0.01 . 1 . . . A 103 THR HB . 25540 1 1282 . 1 1 103 103 THR HG1 H 1 4.443 0.01 . 1 . . . A 103 THR HG1 . 25540 1 1283 . 1 1 103 103 THR HG21 H 1 0.800 0.01 . 1 . . . A 103 THR HG21 . 25540 1 1284 . 1 1 103 103 THR HG22 H 1 0.800 0.01 . 1 . . . A 103 THR HG22 . 25540 1 1285 . 1 1 103 103 THR HG23 H 1 0.800 0.01 . 1 . . . A 103 THR HG23 . 25540 1 1286 . 1 1 103 103 THR C C 13 176.381 0.05 . 1 . . . A 103 THR C . 25540 1 1287 . 1 1 103 103 THR CA C 13 66.307 0.05 . 1 . . . A 103 THR CA . 25540 1 1288 . 1 1 103 103 THR CB C 13 67.872 0.05 . 1 . . . A 103 THR CB . 25540 1 1289 . 1 1 103 103 THR CG2 C 13 22.209 0.05 . 1 . . . A 103 THR CG2 . 25540 1 1290 . 1 1 103 103 THR N N 15 118.115 0.05 . 1 . . . A 103 THR N . 25540 1 1291 . 1 1 104 104 LEU H H 1 8.535 0.01 . 1 . . . A 104 LEU H . 25540 1 1292 . 1 1 104 104 LEU HA H 1 3.867 0.01 . 1 . . . A 104 LEU HA . 25540 1 1293 . 1 1 104 104 LEU HB2 H 1 1.902 0.01 . 2 . . . A 104 LEU HB2 . 25540 1 1294 . 1 1 104 104 LEU HB3 H 1 2.131 0.01 . 2 . . . A 104 LEU HB3 . 25540 1 1295 . 1 1 104 104 LEU HG H 1 1.169 0.01 . 1 . . . A 104 LEU HG . 25540 1 1296 . 1 1 104 104 LEU HD11 H 1 0.822 0.01 . 2 . . . A 104 LEU HD11 . 25540 1 1297 . 1 1 104 104 LEU HD12 H 1 0.822 0.01 . 2 . . . A 104 LEU HD12 . 25540 1 1298 . 1 1 104 104 LEU HD13 H 1 0.822 0.01 . 2 . . . A 104 LEU HD13 . 25540 1 1299 . 1 1 104 104 LEU HD21 H 1 0.797 0.01 . 2 . . . A 104 LEU HD21 . 25540 1 1300 . 1 1 104 104 LEU HD22 H 1 0.797 0.01 . 2 . . . A 104 LEU HD22 . 25540 1 1301 . 1 1 104 104 LEU HD23 H 1 0.797 0.01 . 2 . . . A 104 LEU HD23 . 25540 1 1302 . 1 1 104 104 LEU C C 13 178.001 0.05 . 1 . . . A 104 LEU C . 25540 1 1303 . 1 1 104 104 LEU CA C 13 58.007 0.05 . 1 . . . A 104 LEU CA . 25540 1 1304 . 1 1 104 104 LEU CB C 13 42.747 0.05 . 1 . . . A 104 LEU CB . 25540 1 1305 . 1 1 104 104 LEU CG C 13 26.814 0.05 . 1 . . . A 104 LEU CG . 25540 1 1306 . 1 1 104 104 LEU CD1 C 13 24.767 0.05 . 2 . . . A 104 LEU CD1 . 25540 1 1307 . 1 1 104 104 LEU CD2 C 13 24.761 0.05 . 2 . . . A 104 LEU CD2 . 25540 1 1308 . 1 1 104 104 LEU N N 15 119.344 0.05 . 1 . . . A 104 LEU N . 25540 1 1309 . 1 1 105 105 GLN H H 1 8.671 0.01 . 1 . . . A 105 GLN H . 25540 1 1310 . 1 1 105 105 GLN HA H 1 3.921 0.01 . 1 . . . A 105 GLN HA . 25540 1 1311 . 1 1 105 105 GLN HB2 H 1 2.084 0.01 . 2 . . . A 105 GLN HB2 . 25540 1 1312 . 1 1 105 105 GLN HB3 H 1 2.164 0.01 . 2 . . . A 105 GLN HB3 . 25540 1 1313 . 1 1 105 105 GLN HG2 H 1 2.331 0.01 . 2 . . . A 105 GLN HG2 . 25540 1 1314 . 1 1 105 105 GLN HG3 H 1 2.408 0.01 . 2 . . . A 105 GLN HG3 . 25540 1 1315 . 1 1 105 105 GLN HE21 H 1 6.482 0.01 . 2 . . . A 105 GLN HE21 . 25540 1 1316 . 1 1 105 105 GLN HE22 H 1 7.455 0.01 . 2 . . . A 105 GLN HE22 . 25540 1 1317 . 1 1 105 105 GLN C C 13 178.769 0.05 . 1 . . . A 105 GLN C . 25540 1 1318 . 1 1 105 105 GLN CA C 13 59.332 0.05 . 1 . . . A 105 GLN CA . 25540 1 1319 . 1 1 105 105 GLN CB C 13 28.215 0.05 . 1 . . . A 105 GLN CB . 25540 1 1320 . 1 1 105 105 GLN CG C 13 33.297 0.05 . 1 . . . A 105 GLN CG . 25540 1 1321 . 1 1 105 105 GLN N N 15 118.941 0.05 . 1 . . . A 105 GLN N . 25540 1 1322 . 1 1 105 105 GLN NE2 N 15 110.186 0.05 . 1 . . . A 105 GLN NE2 . 25540 1 1323 . 1 1 106 106 GLN H H 1 7.584 0.01 . 1 . . . A 106 GLN H . 25540 1 1324 . 1 1 106 106 GLN HA H 1 4.001 0.01 . 1 . . . A 106 GLN HA . 25540 1 1325 . 1 1 106 106 GLN HB2 H 1 2.162 0.01 . 2 . . . A 106 GLN HB2 . 25540 1 1326 . 1 1 106 106 GLN HB3 H 1 2.306 0.01 . 2 . . . A 106 GLN HB3 . 25540 1 1327 . 1 1 106 106 GLN HG2 H 1 2.401 0.01 . 2 . . . A 106 GLN HG2 . 25540 1 1328 . 1 1 106 106 GLN HG3 H 1 2.595 0.01 . 2 . . . A 106 GLN HG3 . 25540 1 1329 . 1 1 106 106 GLN HE21 H 1 6.817 0.01 . 2 . . . A 106 GLN HE21 . 25540 1 1330 . 1 1 106 106 GLN HE22 H 1 7.392 0.01 . 2 . . . A 106 GLN HE22 . 25540 1 1331 . 1 1 106 106 GLN C C 13 178.531 0.05 . 1 . . . A 106 GLN C . 25540 1 1332 . 1 1 106 106 GLN CA C 13 58.720 0.05 . 1 . . . A 106 GLN CA . 25540 1 1333 . 1 1 106 106 GLN CB C 13 28.497 0.05 . 1 . . . A 106 GLN CB . 25540 1 1334 . 1 1 106 106 GLN CG C 13 33.966 0.05 . 1 . . . A 106 GLN CG . 25540 1 1335 . 1 1 106 106 GLN N N 15 118.101 0.05 . 1 . . . A 106 GLN N . 25540 1 1336 . 1 1 106 106 GLN NE2 N 15 111.259 0.05 . 1 . . . A 106 GLN NE2 . 25540 1 1337 . 1 1 107 107 ILE H H 1 7.810 0.01 . 1 . . . A 107 ILE H . 25540 1 1338 . 1 1 107 107 ILE HA H 1 3.468 0.01 . 1 . . . A 107 ILE HA . 25540 1 1339 . 1 1 107 107 ILE HB H 1 1.664 0.01 . 1 . . . A 107 ILE HB . 25540 1 1340 . 1 1 107 107 ILE HG12 H 1 0.882 0.01 . 2 . . . A 107 ILE HG12 . 25540 1 1341 . 1 1 107 107 ILE HG13 H 1 1.910 0.01 . 2 . . . A 107 ILE HG13 . 25540 1 1342 . 1 1 107 107 ILE HG21 H 1 0.805 0.01 . 1 . . . A 107 ILE HG21 . 25540 1 1343 . 1 1 107 107 ILE HG22 H 1 0.805 0.01 . 1 . . . A 107 ILE HG22 . 25540 1 1344 . 1 1 107 107 ILE HG23 H 1 0.805 0.01 . 1 . . . A 107 ILE HG23 . 25540 1 1345 . 1 1 107 107 ILE HD11 H 1 0.630 0.01 . 1 . . . A 107 ILE HD11 . 25540 1 1346 . 1 1 107 107 ILE HD12 H 1 0.630 0.01 . 1 . . . A 107 ILE HD12 . 25540 1 1347 . 1 1 107 107 ILE HD13 H 1 0.630 0.01 . 1 . . . A 107 ILE HD13 . 25540 1 1348 . 1 1 107 107 ILE C C 13 177.495 0.05 . 1 . . . A 107 ILE C . 25540 1 1349 . 1 1 107 107 ILE CA C 13 65.381 0.05 . 1 . . . A 107 ILE CA . 25540 1 1350 . 1 1 107 107 ILE CB C 13 39.171 0.05 . 1 . . . A 107 ILE CB . 25540 1 1351 . 1 1 107 107 ILE CG1 C 13 28.827 0.05 . 1 . . . A 107 ILE CG1 . 25540 1 1352 . 1 1 107 107 ILE CG2 C 13 18.945 0.05 . 1 . . . A 107 ILE CG2 . 25540 1 1353 . 1 1 107 107 ILE CD1 C 13 15.774 0.05 . 1 . . . A 107 ILE CD1 . 25540 1 1354 . 1 1 107 107 ILE N N 15 120.124 0.05 . 1 . . . A 107 ILE N . 25540 1 1355 . 1 1 108 108 ILE H H 1 8.760 0.01 . 1 . . . A 108 ILE H . 25540 1 1356 . 1 1 108 108 ILE HA H 1 3.779 0.01 . 1 . . . A 108 ILE HA . 25540 1 1357 . 1 1 108 108 ILE HB H 1 1.886 0.01 . 1 . . . A 108 ILE HB . 25540 1 1358 . 1 1 108 108 ILE HG12 H 1 1.700 0.01 . 2 . . . A 108 ILE HG12 . 25540 1 1359 . 1 1 108 108 ILE HG13 H 1 1.656 0.01 . 2 . . . A 108 ILE HG13 . 25540 1 1360 . 1 1 108 108 ILE HG21 H 1 0.930 0.01 . 1 . . . A 108 ILE HG21 . 25540 1 1361 . 1 1 108 108 ILE HG22 H 1 0.930 0.01 . 1 . . . A 108 ILE HG22 . 25540 1 1362 . 1 1 108 108 ILE HG23 H 1 0.930 0.01 . 1 . . . A 108 ILE HG23 . 25540 1 1363 . 1 1 108 108 ILE HD11 H 1 0.786 0.01 . 1 . . . A 108 ILE HD11 . 25540 1 1364 . 1 1 108 108 ILE HD12 H 1 0.786 0.01 . 1 . . . A 108 ILE HD12 . 25540 1 1365 . 1 1 108 108 ILE HD13 H 1 0.786 0.01 . 1 . . . A 108 ILE HD13 . 25540 1 1366 . 1 1 108 108 ILE C C 13 179.098 0.05 . 1 . . . A 108 ILE C . 25540 1 1367 . 1 1 108 108 ILE CA C 13 65.498 0.05 . 1 . . . A 108 ILE CA . 25540 1 1368 . 1 1 108 108 ILE CB C 13 38.179 0.05 . 1 . . . A 108 ILE CB . 25540 1 1369 . 1 1 108 108 ILE CG1 C 13 29.260 0.05 . 1 . . . A 108 ILE CG1 . 25540 1 1370 . 1 1 108 108 ILE CG2 C 13 17.224 0.05 . 1 . . . A 108 ILE CG2 . 25540 1 1371 . 1 1 108 108 ILE CD1 C 13 15.363 0.05 . 1 . . . A 108 ILE CD1 . 25540 1 1372 . 1 1 108 108 ILE N N 15 117.537 0.05 . 1 . . . A 108 ILE N . 25540 1 1373 . 1 1 109 109 SER H H 1 7.846 0.01 . 1 . . . A 109 SER H . 25540 1 1374 . 1 1 109 109 SER HA H 1 4.195 0.01 . 1 . . . A 109 SER HA . 25540 1 1375 . 1 1 109 109 SER HB2 H 1 4.008 0.01 . 2 . . . A 109 SER HB2 . 25540 1 1376 . 1 1 109 109 SER HB3 H 1 4.008 0.01 . 2 . . . A 109 SER HB3 . 25540 1 1377 . 1 1 109 109 SER C C 13 176.243 0.05 . 1 . . . A 109 SER C . 25540 1 1378 . 1 1 109 109 SER CA C 13 61.703 0.05 . 1 . . . A 109 SER CA . 25540 1 1379 . 1 1 109 109 SER CB C 13 62.813 0.05 . 1 . . . A 109 SER CB . 25540 1 1380 . 1 1 109 109 SER N N 15 114.087 0.05 . 1 . . . A 109 SER N . 25540 1 1381 . 1 1 110 110 ARG H H 1 7.529 0.01 . 1 . . . A 110 ARG H . 25540 1 1382 . 1 1 110 110 ARG HA H 1 4.134 0.01 . 1 . . . A 110 ARG HA . 25540 1 1383 . 1 1 110 110 ARG HB2 H 1 1.703 0.01 . 2 . . . A 110 ARG HB2 . 25540 1 1384 . 1 1 110 110 ARG HB3 H 1 1.683 0.01 . 2 . . . A 110 ARG HB3 . 25540 1 1385 . 1 1 110 110 ARG HG2 H 1 1.543 0.01 . 2 . . . A 110 ARG HG2 . 25540 1 1386 . 1 1 110 110 ARG HG3 H 1 1.543 0.01 . 2 . . . A 110 ARG HG3 . 25540 1 1387 . 1 1 110 110 ARG HD2 H 1 3.147 0.01 . 2 . . . A 110 ARG HD2 . 25540 1 1388 . 1 1 110 110 ARG HD3 H 1 3.018 0.01 . 2 . . . A 110 ARG HD3 . 25540 1 1389 . 1 1 110 110 ARG C C 13 178.622 0.05 . 1 . . . A 110 ARG C . 25540 1 1390 . 1 1 110 110 ARG CA C 13 58.494 0.05 . 1 . . . A 110 ARG CA . 25540 1 1391 . 1 1 110 110 ARG CB C 13 29.869 0.05 . 1 . . . A 110 ARG CB . 25540 1 1392 . 1 1 110 110 ARG CG C 13 26.967 0.05 . 1 . . . A 110 ARG CG . 25540 1 1393 . 1 1 110 110 ARG CD C 13 43.756 0.05 . 1 . . . A 110 ARG CD . 25540 1 1394 . 1 1 110 110 ARG N N 15 121.134 0.05 . 1 . . . A 110 ARG N . 25540 1 1395 . 1 1 111 111 TYR H H 1 7.495 0.01 . 1 . . . A 111 TYR H . 25540 1 1396 . 1 1 111 111 TYR HA H 1 4.750 0.01 . 1 . . . A 111 TYR HA . 25540 1 1397 . 1 1 111 111 TYR HB2 H 1 3.397 0.01 . 2 . . . A 111 TYR HB2 . 25540 1 1398 . 1 1 111 111 TYR HB3 H 1 3.071 0.01 . 2 . . . A 111 TYR HB3 . 25540 1 1399 . 1 1 111 111 TYR HD1 H 1 7.104 0.01 . 3 . . . A 111 TYR HD1 . 25540 1 1400 . 1 1 111 111 TYR HD2 H 1 7.104 0.01 . 3 . . . A 111 TYR HD2 . 25540 1 1401 . 1 1 111 111 TYR HE1 H 1 6.714 0.01 . 3 . . . A 111 TYR HE1 . 25540 1 1402 . 1 1 111 111 TYR HE2 H 1 6.714 0.01 . 3 . . . A 111 TYR HE2 . 25540 1 1403 . 1 1 111 111 TYR C C 13 177.148 0.05 . 1 . . . A 111 TYR C . 25540 1 1404 . 1 1 111 111 TYR CA C 13 57.885 0.05 . 1 . . . A 111 TYR CA . 25540 1 1405 . 1 1 111 111 TYR CB C 13 37.510 0.05 . 1 . . . A 111 TYR CB . 25540 1 1406 . 1 1 111 111 TYR CD1 C 13 132.550 0.05 . 3 . . . A 111 TYR CD1 . 25540 1 1407 . 1 1 111 111 TYR CD2 C 13 132.550 0.05 . 3 . . . A 111 TYR CD2 . 25540 1 1408 . 1 1 111 111 TYR CE1 C 13 117.918 0.05 . 3 . . . A 111 TYR CE1 . 25540 1 1409 . 1 1 111 111 TYR CE2 C 13 117.918 0.05 . 3 . . . A 111 TYR CE2 . 25540 1 1410 . 1 1 111 111 TYR N N 15 117.237 0.05 . 1 . . . A 111 TYR N . 25540 1 1411 . 1 1 112 112 LYS H H 1 7.779 0.01 . 1 . . . A 112 LYS H . 25540 1 1412 . 1 1 112 112 LYS HA H 1 4.324 0.01 . 1 . . . A 112 LYS HA . 25540 1 1413 . 1 1 112 112 LYS HB2 H 1 1.950 0.01 . 2 . . . A 112 LYS HB2 . 25540 1 1414 . 1 1 112 112 LYS HB3 H 1 1.950 0.01 . 2 . . . A 112 LYS HB3 . 25540 1 1415 . 1 1 112 112 LYS HG2 H 1 1.703 0.01 . 2 . . . A 112 LYS HG2 . 25540 1 1416 . 1 1 112 112 LYS HG3 H 1 1.553 0.01 . 2 . . . A 112 LYS HG3 . 25540 1 1417 . 1 1 112 112 LYS HD2 H 1 1.800 0.01 . 2 . . . A 112 LYS HD2 . 25540 1 1418 . 1 1 112 112 LYS HD3 H 1 1.699 0.01 . 2 . . . A 112 LYS HD3 . 25540 1 1419 . 1 1 112 112 LYS HE2 H 1 3.090 0.01 . 2 . . . A 112 LYS HE2 . 25540 1 1420 . 1 1 112 112 LYS HE3 H 1 3.090 0.01 . 2 . . . A 112 LYS HE3 . 25540 1 1421 . 1 1 112 112 LYS C C 13 177.413 0.05 . 1 . . . A 112 LYS C . 25540 1 1422 . 1 1 112 112 LYS CA C 13 57.658 0.05 . 1 . . . A 112 LYS CA . 25540 1 1423 . 1 1 112 112 LYS CB C 13 32.803 0.05 . 1 . . . A 112 LYS CB . 25540 1 1424 . 1 1 112 112 LYS CG C 13 24.839 0.05 . 1 . . . A 112 LYS CG . 25540 1 1425 . 1 1 112 112 LYS CD C 13 29.030 0.05 . 1 . . . A 112 LYS CD . 25540 1 1426 . 1 1 112 112 LYS CE C 13 41.907 0.05 . 1 . . . A 112 LYS CE . 25540 1 1427 . 1 1 112 112 LYS N N 15 120.835 0.05 . 1 . . . A 112 LYS N . 25540 1 1428 . 1 1 113 113 ASP H H 1 8.220 0.01 . 1 . . . A 113 ASP H . 25540 1 1429 . 1 1 113 113 ASP HA H 1 4.628 0.01 . 1 . . . A 113 ASP HA . 25540 1 1430 . 1 1 113 113 ASP HB2 H 1 2.694 0.01 . 2 . . . A 113 ASP HB2 . 25540 1 1431 . 1 1 113 113 ASP HB3 H 1 2.791 0.01 . 2 . . . A 113 ASP HB3 . 25540 1 1432 . 1 1 113 113 ASP C C 13 176.557 0.05 . 1 . . . A 113 ASP C . 25540 1 1433 . 1 1 113 113 ASP CA C 13 54.538 0.05 . 1 . . . A 113 ASP CA . 25540 1 1434 . 1 1 113 113 ASP CB C 13 41.120 0.05 . 1 . . . A 113 ASP CB . 25540 1 1435 . 1 1 113 113 ASP N N 15 120.460 0.05 . 1 . . . A 113 ASP N . 25540 1 1436 . 1 1 114 114 ALA H H 1 8.021 0.01 . 1 . . . A 114 ALA H . 25540 1 1437 . 1 1 114 114 ALA HA H 1 4.340 0.01 . 1 . . . A 114 ALA HA . 25540 1 1438 . 1 1 114 114 ALA HB1 H 1 1.486 0.01 . 1 . . . A 114 ALA HB1 . 25540 1 1439 . 1 1 114 114 ALA HB2 H 1 1.486 0.01 . 1 . . . A 114 ALA HB2 . 25540 1 1440 . 1 1 114 114 ALA HB3 H 1 1.486 0.01 . 1 . . . A 114 ALA HB3 . 25540 1 1441 . 1 1 114 114 ALA C C 13 177.969 0.05 . 1 . . . A 114 ALA C . 25540 1 1442 . 1 1 114 114 ALA CA C 13 52.968 0.05 . 1 . . . A 114 ALA CA . 25540 1 1443 . 1 1 114 114 ALA CB C 13 19.190 0.05 . 1 . . . A 114 ALA CB . 25540 1 1444 . 1 1 114 114 ALA N N 15 123.641 0.05 . 1 . . . A 114 ALA N . 25540 1 1445 . 1 1 115 115 ASP H H 1 8.237 0.01 . 1 . . . A 115 ASP H . 25540 1 1446 . 1 1 115 115 ASP HA H 1 4.634 0.01 . 1 . . . A 115 ASP HA . 25540 1 1447 . 1 1 115 115 ASP HB2 H 1 2.730 0.01 . 2 . . . A 115 ASP HB2 . 25540 1 1448 . 1 1 115 115 ASP HB3 H 1 2.802 0.01 . 2 . . . A 115 ASP HB3 . 25540 1 1449 . 1 1 115 115 ASP C C 13 177.054 0.05 . 1 . . . A 115 ASP C . 25540 1 1450 . 1 1 115 115 ASP CA C 13 54.749 0.05 . 1 . . . A 115 ASP CA . 25540 1 1451 . 1 1 115 115 ASP CB C 13 41.339 0.05 . 1 . . . A 115 ASP CB . 25540 1 1452 . 1 1 115 115 ASP N N 15 119.180 0.05 . 1 . . . A 115 ASP N . 25540 1 1453 . 2 2 1 1 GLY HA2 H 1 3.896 0.01 . 2 . . . B 242 GLY HA* . 25540 1 1454 . 2 2 1 1 GLY HA3 H 1 3.896 0.01 . 2 . . . B 242 GLY HA* . 25540 1 1455 . 2 2 1 1 GLY C C 13 175.142 0.05 . 1 . . . B 242 GLY C . 25540 1 1456 . 2 2 1 1 GLY CA C 13 43.292 0.05 . 1 . . . B 242 GLY CA . 25540 1 1457 . 2 2 2 2 GLY H H 1 8.640 0.01 . 1 . . . B 243 GLY H . 25540 1 1458 . 2 2 2 2 GLY HA2 H 1 4.015 0.01 . 2 . . . B 243 GLY HA* . 25540 1 1459 . 2 2 2 2 GLY HA3 H 1 4.015 0.01 . 2 . . . B 243 GLY HA* . 25540 1 1460 . 2 2 2 2 GLY C C 13 174.811 0.05 . 1 . . . B 243 GLY C . 25540 1 1461 . 2 2 2 2 GLY CA C 13 45.265 0.05 . 1 . . . B 243 GLY CA . 25540 1 1462 . 2 2 2 2 GLY N N 15 111.336 0.05 . 1 . . . B 243 GLY N . 25540 1 1463 . 2 2 3 3 GLY H H 1 8.366 0.01 . 1 . . . B 244 GLY H . 25540 1 1464 . 2 2 3 3 GLY HA2 H 1 3.960 0.01 . 2 . . . B 244 GLY HA* . 25540 1 1465 . 2 2 3 3 GLY HA3 H 1 3.960 0.01 . 2 . . . B 244 GLY HA* . 25540 1 1466 . 2 2 3 3 GLY C C 13 174.570 0.05 . 1 . . . B 244 GLY C . 25540 1 1467 . 2 2 3 3 GLY CA C 13 45.157 0.05 . 1 . . . B 244 GLY CA . 25540 1 1468 . 2 2 3 3 GLY N N 15 109.011 0.05 . 1 . . . B 244 GLY N . 25540 1 1469 . 2 2 4 4 GLY H H 1 8.257 0.01 . 1 . . . B 245 GLY H . 25540 1 1470 . 2 2 4 4 GLY HA2 H 1 3.889 0.01 . 2 . . . B 245 GLY HA2 . 25540 1 1471 . 2 2 4 4 GLY HA3 H 1 3.854 0.01 . 2 . . . B 245 GLY HA3 . 25540 1 1472 . 2 2 4 4 GLY C C 13 173.863 0.05 . 1 . . . B 245 GLY C . 25540 1 1473 . 2 2 4 4 GLY CA C 13 45.002 0.05 . 1 . . . B 245 GLY CA . 25540 1 1474 . 2 2 4 4 GLY N N 15 108.691 0.05 . 1 . . . B 245 GLY N . 25540 1 1475 . 2 2 5 5 TYR H H 1 8.018 0.01 . 1 . . . B 246 TYR H . 25540 1 1476 . 2 2 5 5 TYR HA H 1 4.591 0.01 . 1 . . . B 246 TYR HA . 25540 1 1477 . 2 2 5 5 TYR HB2 H 1 3.084 0.01 . 2 . . . B 246 TYR HB2 . 25540 1 1478 . 2 2 5 5 TYR HB3 H 1 2.906 0.01 . 2 . . . B 246 TYR HB3 . 25540 1 1479 . 2 2 5 5 TYR HD1 H 1 7.100 0.01 . 3 . . . B 246 TYR HD* . 25540 1 1480 . 2 2 5 5 TYR HD2 H 1 7.100 0.01 . 3 . . . B 246 TYR HD* . 25540 1 1481 . 2 2 5 5 TYR HE1 H 1 6.810 0.01 . 3 . . . B 246 TYR HE* . 25540 1 1482 . 2 2 5 5 TYR HE2 H 1 6.810 0.01 . 3 . . . B 246 TYR HE* . 25540 1 1483 . 2 2 5 5 TYR C C 13 175.440 0.05 . 1 . . . B 246 TYR C . 25540 1 1484 . 2 2 5 5 TYR CA C 13 57.619 0.05 . 1 . . . B 246 TYR CA . 25540 1 1485 . 2 2 5 5 TYR CB C 13 38.840 0.05 . 1 . . . B 246 TYR CB . 25540 1 1486 . 2 2 5 5 TYR CD1 C 13 133.290 0.05 . 3 . . . B 246 TYR CD* . 25540 1 1487 . 2 2 5 5 TYR CD2 C 13 133.290 0.05 . 3 . . . B 246 TYR CD* . 25540 1 1488 . 2 2 5 5 TYR CE1 C 13 118.232 0.05 . 3 . . . B 246 TYR CE* . 25540 1 1489 . 2 2 5 5 TYR CE2 C 13 118.232 0.05 . 3 . . . B 246 TYR CE* . 25540 1 1490 . 2 2 5 5 TYR N N 15 119.836 0.05 . 1 . . . B 246 TYR N . 25540 1 1491 . 2 2 6 6 ASP H H 1 8.342 0.01 . 1 . . . B 247 ASP H . 25540 1 1492 . 2 2 6 6 ASP HA H 1 4.608 0.01 . 1 . . . B 247 ASP HA . 25540 1 1493 . 2 2 6 6 ASP HB2 H 1 2.540 0.01 . 1 . . . B 247 ASP HB2 . 25540 1 1494 . 2 2 6 6 ASP HB3 H 1 2.678 0.01 . 1 . . . B 247 ASP HB3 . 25540 1 1495 . 2 2 6 6 ASP C C 13 175.917 0.05 . 1 . . . B 247 ASP C . 25540 1 1496 . 2 2 6 6 ASP CA C 13 54.129 0.05 . 1 . . . B 247 ASP CA . 25540 1 1497 . 2 2 6 6 ASP CB C 13 41.165 0.05 . 1 . . . B 247 ASP CB . 25540 1 1498 . 2 2 6 6 ASP N N 15 122.165 0.05 . 1 . . . B 247 ASP N . 25540 1 1499 . 2 2 7 7 VAL H H 1 7.952 0.01 . 1 . . . B 248 VAL H . 25540 1 1500 . 2 2 7 7 VAL HA H 1 4.102 0.01 . 1 . . . B 248 VAL HA . 25540 1 1501 . 2 2 7 7 VAL HB H 1 2.083 0.01 . 1 . . . B 248 VAL HB . 25540 1 1502 . 2 2 7 7 VAL HG11 H 1 0.931 0.01 . 2 . . . B 248 VAL HG11 . 25540 1 1503 . 2 2 7 7 VAL HG12 H 1 0.931 0.01 . 2 . . . B 248 VAL HG12 . 25540 1 1504 . 2 2 7 7 VAL HG13 H 1 0.931 0.01 . 2 . . . B 248 VAL HG13 . 25540 1 1505 . 2 2 7 7 VAL HG21 H 1 0.915 0.01 . 2 . . . B 248 VAL HG21 . 25540 1 1506 . 2 2 7 7 VAL HG22 H 1 0.915 0.01 . 2 . . . B 248 VAL HG22 . 25540 1 1507 . 2 2 7 7 VAL HG23 H 1 0.915 0.01 . 2 . . . B 248 VAL HG23 . 25540 1 1508 . 2 2 7 7 VAL C C 13 176.101 0.05 . 1 . . . B 248 VAL C . 25540 1 1509 . 2 2 7 7 VAL CA C 13 63.193 0.05 . 1 . . . B 248 VAL CA . 25540 1 1510 . 2 2 7 7 VAL CB C 13 32.899 0.05 . 1 . . . B 248 VAL CB . 25540 1 1511 . 2 2 7 7 VAL CG1 C 13 20.593 0.05 . 2 . . . B 248 VAL CG1 . 25540 1 1512 . 2 2 7 7 VAL CG2 C 13 21.061 0.05 . 2 . . . B 248 VAL CG2 . 25540 1 1513 . 2 2 7 7 VAL N N 15 119.695 0.05 . 1 . . . B 248 VAL N . 25540 1 1514 . 2 2 8 8 GLU H H 1 8.423 0.01 . 1 . . . B 249 GLU H . 25540 1 1515 . 2 2 8 8 GLU HA H 1 4.240 0.01 . 1 . . . B 249 GLU HA . 25540 1 1516 . 2 2 8 8 GLU HB2 H 1 1.993 0.01 . 2 . . . B 249 GLU HB2 . 25540 1 1517 . 2 2 8 8 GLU HB3 H 1 1.943 0.01 . 2 . . . B 249 GLU HB3 . 25540 1 1518 . 2 2 8 8 GLU HG2 H 1 2.239 0.01 . 2 . . . B 249 GLU HG* . 25540 1 1519 . 2 2 8 8 GLU HG3 H 1 2.239 0.01 . 2 . . . B 249 GLU HG* . 25540 1 1520 . 2 2 8 8 GLU C C 13 176.445 0.05 . 1 . . . B 249 GLU C . 25540 1 1521 . 2 2 8 8 GLU CA C 13 56.560 0.05 . 1 . . . B 249 GLU CA . 25540 1 1522 . 2 2 8 8 GLU CB C 13 30.103 0.05 . 1 . . . B 249 GLU CB . 25540 1 1523 . 2 2 8 8 GLU CG C 13 36.325 0.05 . 1 . . . B 249 GLU CG . 25540 1 1524 . 2 2 8 8 GLU N N 15 123.971 0.05 . 1 . . . B 249 GLU N . 25540 1 1525 . 2 2 9 9 MET H H 1 8.272 0.01 . 1 . . . B 250 MET H . 25540 1 1526 . 2 2 9 9 MET HA H 1 4.448 0.01 . 1 . . . B 250 MET HA . 25540 1 1527 . 2 2 9 9 MET HB2 H 1 2.048 0.01 . 2 . . . B 250 MET HB2 . 25540 1 1528 . 2 2 9 9 MET HB3 H 1 1.965 0.01 . 2 . . . B 250 MET HB3 . 25540 1 1529 . 2 2 9 9 MET HG2 H 1 2.549 0.01 . 2 . . . B 250 MET HG2 . 25540 1 1530 . 2 2 9 9 MET HG3 H 1 2.499 0.01 . 2 . . . B 250 MET HG3 . 25540 1 1531 . 2 2 9 9 MET HE1 H 1 2.072 0.01 . 1 . . . B 250 MET HE1 . 25540 1 1532 . 2 2 9 9 MET HE2 H 1 2.072 0.01 . 1 . . . B 250 MET HE2 . 25540 1 1533 . 2 2 9 9 MET HE3 H 1 2.072 0.01 . 1 . . . B 250 MET HE3 . 25540 1 1534 . 2 2 9 9 MET C C 13 176.100 0.05 . 1 . . . B 250 MET C . 25540 1 1535 . 2 2 9 9 MET CA C 13 55.308 0.05 . 1 . . . B 250 MET CA . 25540 1 1536 . 2 2 9 9 MET CB C 13 33.232 0.05 . 1 . . . B 250 MET CB . 25540 1 1537 . 2 2 9 9 MET CG C 13 32.009 0.05 . 1 . . . B 250 MET CG . 25540 1 1538 . 2 2 9 9 MET CE C 13 17.281 0.05 . 1 . . . B 250 MET CE . 25540 1 1539 . 2 2 9 9 MET N N 15 121.398 0.05 . 1 . . . B 250 MET N . 25540 1 1540 . 2 2 10 10 GLU H H 1 8.418 0.01 . 1 . . . B 251 GLU H . 25540 1 1541 . 2 2 10 10 GLU HA H 1 4.278 0.01 . 1 . . . B 251 GLU HA . 25540 1 1542 . 2 2 10 10 GLU HB2 H 1 2.031 0.01 . 2 . . . B 251 GLU HB2 . 25540 1 1543 . 2 2 10 10 GLU HB3 H 1 1.920 0.01 . 2 . . . B 251 GLU HB3 . 25540 1 1544 . 2 2 10 10 GLU HG2 H 1 2.244 0.01 . 2 . . . B 251 GLU HG* . 25540 1 1545 . 2 2 10 10 GLU HG3 H 1 2.244 0.01 . 2 . . . B 251 GLU HG* . 25540 1 1546 . 2 2 10 10 GLU C C 13 176.392 0.05 . 1 . . . B 251 GLU C . 25540 1 1547 . 2 2 10 10 GLU CA C 13 56.570 0.05 . 1 . . . B 251 GLU CA . 25540 1 1548 . 2 2 10 10 GLU CB C 13 30.227 0.05 . 1 . . . B 251 GLU CB . 25540 1 1549 . 2 2 10 10 GLU CG C 13 36.227 0.05 . 1 . . . B 251 GLU CG . 25540 1 1550 . 2 2 10 10 GLU N N 15 122.421 0.05 . 1 . . . B 251 GLU N . 25540 1 1551 . 2 2 11 11 SER H H 1 8.316 0.01 . 1 . . . B 252 SER H . 25540 1 1552 . 2 2 11 11 SER HA H 1 4.438 0.01 . 1 . . . B 252 SER HA . 25540 1 1553 . 2 2 11 11 SER HB2 H 1 3.915 0.01 . 2 . . . B 252 SER HB2 . 25540 1 1554 . 2 2 11 11 SER HB3 H 1 3.836 0.01 . 2 . . . B 252 SER HB3 . 25540 1 1555 . 2 2 11 11 SER C C 13 174.477 0.05 . 1 . . . B 252 SER C . 25540 1 1556 . 2 2 11 11 SER CA C 13 57.903 0.05 . 1 . . . B 252 SER CA . 25540 1 1557 . 2 2 11 11 SER CB C 13 63.881 0.05 . 1 . . . B 252 SER CB . 25540 1 1558 . 2 2 11 11 SER N N 15 116.907 0.05 . 1 . . . B 252 SER N . 25540 1 1559 . 2 2 12 12 GLU H H 1 8.483 0.01 . 1 . . . B 253 GLU H . 25540 1 1560 . 2 2 12 12 GLU HA H 1 4.288 0.01 . 1 . . . B 253 GLU HA . 25540 1 1561 . 2 2 12 12 GLU HB2 H 1 2.041 0.01 . 2 . . . B 253 GLU HB2 . 25540 1 1562 . 2 2 12 12 GLU HB3 H 1 1.918 0.01 . 2 . . . B 253 GLU HB3 . 25540 1 1563 . 2 2 12 12 GLU HG2 H 1 2.242 0.01 . 2 . . . B 253 GLU HG* . 25540 1 1564 . 2 2 12 12 GLU HG3 H 1 2.242 0.01 . 2 . . . B 253 GLU HG* . 25540 1 1565 . 2 2 12 12 GLU C C 13 176.419 0.05 . 1 . . . B 253 GLU C . 25540 1 1566 . 2 2 12 12 GLU CA C 13 56.455 0.05 . 1 . . . B 253 GLU CA . 25540 1 1567 . 2 2 12 12 GLU CB C 13 30.412 0.05 . 1 . . . B 253 GLU CB . 25540 1 1568 . 2 2 12 12 GLU CG C 13 36.202 0.05 . 1 . . . B 253 GLU CG . 25540 1 1569 . 2 2 12 12 GLU N N 15 123.235 0.05 . 1 . . . B 253 GLU N . 25540 1 1570 . 2 2 13 13 GLU H H 1 8.372 0.01 . 1 . . . B 254 GLU H . 25540 1 1571 . 2 2 13 13 GLU HA H 1 4.239 0.01 . 1 . . . B 254 GLU HA . 25540 1 1572 . 2 2 13 13 GLU HB2 H 1 2.215 0.01 . 2 . . . B 254 GLU HB* . 25540 1 1573 . 2 2 13 13 GLU HB3 H 1 2.215 0.01 . 2 . . . B 254 GLU HB* . 25540 1 1574 . 2 2 13 13 GLU HG2 H 1 2.009 0.01 . 2 . . . B 254 GLU HG* . 25540 1 1575 . 2 2 13 13 GLU HG3 H 1 2.009 0.01 . 2 . . . B 254 GLU HG* . 25540 1 1576 . 2 2 13 13 GLU C C 13 176.139 0.05 . 1 . . . B 254 GLU C . 25540 1 1577 . 2 2 13 13 GLU CA C 13 56.672 0.05 . 1 . . . B 254 GLU CA . 25540 1 1578 . 2 2 13 13 GLU CB C 13 30.442 0.05 . 1 . . . B 254 GLU CB . 25540 1 1579 . 2 2 13 13 GLU CG C 13 36.114 0.05 . 1 . . . B 254 GLU CG . 25540 1 1580 . 2 2 13 13 GLU N N 15 121.851 0.05 . 1 . . . B 254 GLU N . 25540 1 1581 . 2 2 14 14 GLU H H 1 8.423 0.01 . 1 . . . B 255 GLU H . 25540 1 1582 . 2 2 14 14 GLU HA H 1 4.271 0.01 . 1 . . . B 255 GLU HA . 25540 1 1583 . 2 2 14 14 GLU HB2 H 1 1.908 0.01 . 2 . . . B 255 GLU HB2 . 25540 1 1584 . 2 2 14 14 GLU HB3 H 1 2.035 0.01 . 2 . . . B 255 GLU HB3 . 25540 1 1585 . 2 2 14 14 GLU HG2 H 1 2.236 0.01 . 2 . . . B 255 GLU HG2 . 25540 1 1586 . 2 2 14 14 GLU HG3 H 1 2.238 0.01 . 2 . . . B 255 GLU HG3 . 25540 1 1587 . 2 2 14 14 GLU C C 13 176.357 0.05 . 1 . . . B 255 GLU C . 25540 1 1588 . 2 2 14 14 GLU CA C 13 56.520 0.05 . 1 . . . B 255 GLU CA . 25540 1 1589 . 2 2 14 14 GLU CB C 13 30.335 0.05 . 1 . . . B 255 GLU CB . 25540 1 1590 . 2 2 14 14 GLU CG C 13 36.242 0.05 . 1 . . . B 255 GLU CG . 25540 1 1591 . 2 2 14 14 GLU N N 15 122.350 0.05 . 1 . . . B 255 GLU N . 25540 1 1592 . 2 2 15 15 SER H H 1 8.321 0.01 . 1 . . . B 256 SER H . 25540 1 1593 . 2 2 15 15 SER HA H 1 4.248 0.01 . 1 . . . B 256 SER HA . 25540 1 1594 . 2 2 15 15 SER HB2 H 1 3.811 0.01 . 2 . . . B 256 SER HB2 . 25540 1 1595 . 2 2 15 15 SER HB3 H 1 3.880 0.01 . 2 . . . B 256 SER HB3 . 25540 1 1596 . 2 2 15 15 SER C C 13 174.319 0.05 . 1 . . . B 256 SER C . 25540 1 1597 . 2 2 15 15 SER CA C 13 58.007 0.05 . 1 . . . B 256 SER CA . 25540 1 1598 . 2 2 15 15 SER CB C 13 64.133 0.05 . 1 . . . B 256 SER CB . 25540 1 1599 . 2 2 15 15 SER N N 15 117.007 0.05 . 1 . . . B 256 SER N . 25540 1 1600 . 2 2 16 16 ASP H H 1 8.416 0.01 . 1 . . . B 257 ASP H . 25540 1 1601 . 2 2 16 16 ASP HA H 1 4.644 0.01 . 1 . . . B 257 ASP HA . 25540 1 1602 . 2 2 16 16 ASP HB2 H 1 2.696 0.01 . 2 . . . B 257 ASP HB* . 25540 1 1603 . 2 2 16 16 ASP HB3 H 1 2.696 0.01 . 2 . . . B 257 ASP HB* . 25540 1 1604 . 2 2 16 16 ASP C C 13 176.164 0.05 . 1 . . . B 257 ASP C . 25540 1 1605 . 2 2 16 16 ASP CA C 13 54.392 0.05 . 1 . . . B 257 ASP CA . 25540 1 1606 . 2 2 16 16 ASP CB C 13 41.251 0.05 . 1 . . . B 257 ASP CB . 25540 1 1607 . 2 2 16 16 ASP N N 15 122.912 0.05 . 1 . . . B 257 ASP N . 25540 1 1608 . 2 2 17 17 ASP H H 1 8.295 0.01 . 1 . . . B 258 ASP H . 25540 1 1609 . 2 2 17 17 ASP HA H 1 4.612 0.01 . 1 . . . B 258 ASP HA . 25540 1 1610 . 2 2 17 17 ASP HB2 H 1 2.594 0.01 . 1 . . . B 258 ASP HB2 . 25540 1 1611 . 2 2 17 17 ASP HB3 H 1 2.712 0.01 . 1 . . . B 258 ASP HB3 . 25540 1 1612 . 2 2 17 17 ASP C C 13 176.240 0.05 . 1 . . . B 258 ASP C . 25540 1 1613 . 2 2 17 17 ASP CA C 13 54.234 0.05 . 1 . . . B 258 ASP CA . 25540 1 1614 . 2 2 17 17 ASP CB C 13 41.246 0.05 . 1 . . . B 258 ASP CB . 25540 1 1615 . 2 2 17 17 ASP N N 15 120.726 0.05 . 1 . . . B 258 ASP N . 25540 1 1616 . 2 2 18 18 ASP H H 1 8.242 0.01 . 1 . . . B 259 ASP H . 25540 1 1617 . 2 2 18 18 ASP HA H 1 4.539 0.01 . 1 . . . B 259 ASP HA . 25540 1 1618 . 2 2 18 18 ASP HB2 H 1 2.668 0.01 . 2 . . . B 259 ASP HB* . 25540 1 1619 . 2 2 18 18 ASP HB3 H 1 2.668 0.01 . 2 . . . B 259 ASP HB* . 25540 1 1620 . 2 2 18 18 ASP C C 13 176.726 0.05 . 1 . . . B 259 ASP C . 25540 1 1621 . 2 2 18 18 ASP CA C 13 54.774 0.05 . 1 . . . B 259 ASP CA . 25540 1 1622 . 2 2 18 18 ASP CB C 13 41.257 0.05 . 1 . . . B 259 ASP CB . 25540 1 1623 . 2 2 18 18 ASP N N 15 120.500 0.05 . 1 . . . B 259 ASP N . 25540 1 1624 . 2 2 19 19 GLY H H 1 8.306 0.01 . 1 . . . B 260 GLY H . 25540 1 1625 . 2 2 19 19 GLY HA2 H 1 3.780 0.01 . 2 . . . B 260 GLY HA* . 25540 1 1626 . 2 2 19 19 GLY HA3 H 1 3.780 0.01 . 2 . . . B 260 GLY HA* . 25540 1 1627 . 2 2 19 19 GLY C C 13 173.850 0.05 . 1 . . . B 260 GLY C . 25540 1 1628 . 2 2 19 19 GLY CA C 13 45.581 0.05 . 1 . . . B 260 GLY CA . 25540 1 1629 . 2 2 19 19 GLY N N 15 108.120 0.05 . 1 . . . B 260 GLY N . 25540 1 1630 . 2 2 20 20 PHE H H 1 7.891 0.01 . 1 . . . B 261 PHE H . 25540 1 1631 . 2 2 20 20 PHE HA H 1 4.535 0.01 . 1 . . . B 261 PHE HA . 25540 1 1632 . 2 2 20 20 PHE HD1 H 1 7.058 0.01 . 3 . . . B 261 PHE HD* . 25540 1 1633 . 2 2 20 20 PHE HD2 H 1 7.058 0.01 . 3 . . . B 261 PHE HD* . 25540 1 1634 . 2 2 20 20 PHE HE1 H 1 7.164 0.01 . 3 . . . B 261 PHE HE* . 25540 1 1635 . 2 2 20 20 PHE HE2 H 1 7.164 0.01 . 3 . . . B 261 PHE HE* . 25540 1 1636 . 2 2 20 20 PHE HZ H 1 7.233 0.01 . 1 . . . B 261 PHE HZ . 25540 1 1637 . 2 2 20 20 PHE C C 13 175.728 0.05 . 1 . . . B 261 PHE C . 25540 1 1638 . 2 2 20 20 PHE CA C 13 58.325 0.05 . 1 . . . B 261 PHE CA . 25540 1 1639 . 2 2 20 20 PHE CB C 13 40.641 0.05 . 1 . . . B 261 PHE CB . 25540 1 1640 . 2 2 20 20 PHE CD1 C 13 131.651 0.05 . 3 . . . B 261 PHE CD* . 25540 1 1641 . 2 2 20 20 PHE CD2 C 13 131.651 0.05 . 3 . . . B 261 PHE CD* . 25540 1 1642 . 2 2 20 20 PHE CE1 C 13 131.367 0.05 . 3 . . . B 261 PHE CE* . 25540 1 1643 . 2 2 20 20 PHE CE2 C 13 131.367 0.05 . 3 . . . B 261 PHE CE* . 25540 1 1644 . 2 2 20 20 PHE CZ C 13 129.435 0.05 . 1 . . . B 261 PHE CZ . 25540 1 1645 . 2 2 20 20 PHE N N 15 118.575 0.05 . 1 . . . B 261 PHE N . 25540 1 1646 . 2 2 21 21 VAL H H 1 8.913 0.01 . 1 . . . B 262 VAL H . 25540 1 1647 . 2 2 21 21 VAL HA H 1 4.336 0.01 . 1 . . . B 262 VAL HA . 25540 1 1648 . 2 2 21 21 VAL HB H 1 2.083 0.01 . 1 . . . B 262 VAL HB . 25540 1 1649 . 2 2 21 21 VAL HG11 H 1 0.870 0.01 . 2 . . . B 262 VAL HG11 . 25540 1 1650 . 2 2 21 21 VAL HG12 H 1 0.870 0.01 . 2 . . . B 262 VAL HG12 . 25540 1 1651 . 2 2 21 21 VAL HG13 H 1 0.870 0.01 . 2 . . . B 262 VAL HG13 . 25540 1 1652 . 2 2 21 21 VAL HG21 H 1 0.903 0.01 . 2 . . . B 262 VAL HG21 . 25540 1 1653 . 2 2 21 21 VAL HG22 H 1 0.903 0.01 . 2 . . . B 262 VAL HG22 . 25540 1 1654 . 2 2 21 21 VAL HG23 H 1 0.903 0.01 . 2 . . . B 262 VAL HG23 . 25540 1 1655 . 2 2 21 21 VAL C C 13 175.356 0.05 . 1 . . . B 262 VAL C . 25540 1 1656 . 2 2 21 21 VAL CA C 13 60.702 0.05 . 1 . . . B 262 VAL CA . 25540 1 1657 . 2 2 21 21 VAL CB C 13 34.158 0.05 . 1 . . . B 262 VAL CB . 25540 1 1658 . 2 2 21 21 VAL CG1 C 13 21.774 0.05 . 2 . . . B 262 VAL CG1 . 25540 1 1659 . 2 2 21 21 VAL CG2 C 13 19.505 0.05 . 2 . . . B 262 VAL CG2 . 25540 1 1660 . 2 2 21 21 VAL N N 15 116.726 0.05 . 1 . . . B 262 VAL N . 25540 1 1661 . 2 2 22 22 GLU H H 1 8.495 0.01 . 1 . . . B 263 GLU H . 25540 1 1662 . 2 2 22 22 GLU HA H 1 4.355 0.01 . 1 . . . B 263 GLU HA . 25540 1 1663 . 2 2 22 22 GLU HB2 H 1 2.064 0.01 . 2 . . . B 263 GLU HB2 . 25540 1 1664 . 2 2 22 22 GLU HB3 H 1 1.968 0.01 . 2 . . . B 263 GLU HB3 . 25540 1 1665 . 2 2 22 22 GLU HG2 H 1 2.327 0.01 . 2 . . . B 263 GLU HG* . 25540 1 1666 . 2 2 22 22 GLU HG3 H 1 2.327 0.01 . 2 . . . B 263 GLU HG* . 25540 1 1667 . 2 2 22 22 GLU C C 13 176.358 0.05 . 1 . . . B 263 GLU C . 25540 1 1668 . 2 2 22 22 GLU CA C 13 56.821 0.05 . 1 . . . B 263 GLU CA . 25540 1 1669 . 2 2 22 22 GLU CB C 13 30.155 0.05 . 1 . . . B 263 GLU CB . 25540 1 1670 . 2 2 22 22 GLU CG C 13 36.399 0.05 . 1 . . . B 263 GLU CG . 25540 1 1671 . 2 2 22 22 GLU N N 15 124.082 0.05 . 1 . . . B 263 GLU N . 25540 1 1672 . 2 2 23 23 VAL H H 1 8.334 0.01 . 1 . . . B 264 VAL H . 25540 1 1673 . 2 2 23 23 VAL HA H 1 4.084 0.01 . 1 . . . B 264 VAL HA . 25540 1 1674 . 2 2 23 23 VAL HB H 1 2.027 0.01 . 1 . . . B 264 VAL HB . 25540 1 1675 . 2 2 23 23 VAL HG11 H 1 0.881 0.01 . 2 . . . B 264 VAL HG11 . 25540 1 1676 . 2 2 23 23 VAL HG12 H 1 0.881 0.01 . 2 . . . B 264 VAL HG12 . 25540 1 1677 . 2 2 23 23 VAL HG13 H 1 0.881 0.01 . 2 . . . B 264 VAL HG13 . 25540 1 1678 . 2 2 23 23 VAL HG21 H 1 0.906 0.01 . 2 . . . B 264 VAL HG21 . 25540 1 1679 . 2 2 23 23 VAL HG22 H 1 0.906 0.01 . 2 . . . B 264 VAL HG22 . 25540 1 1680 . 2 2 23 23 VAL HG23 H 1 0.906 0.01 . 2 . . . B 264 VAL HG23 . 25540 1 1681 . 2 2 23 23 VAL C C 13 174.585 0.05 . 1 . . . B 264 VAL C . 25540 1 1682 . 2 2 23 23 VAL CA C 13 62.138 0.05 . 1 . . . B 264 VAL CA . 25540 1 1683 . 2 2 23 23 VAL CB C 13 32.266 0.05 . 1 . . . B 264 VAL CB . 25540 1 1684 . 2 2 23 23 VAL CG1 C 13 21.243 0.05 . 2 . . . B 264 VAL CG1 . 25540 1 1685 . 2 2 23 23 VAL CG2 C 13 21.398 0.05 . 2 . . . B 264 VAL CG2 . 25540 1 1686 . 2 2 23 23 VAL N N 15 123.039 0.05 . 1 . . . B 264 VAL N . 25540 1 1687 . 2 2 24 24 ASP H H 1 7.956 0.01 . 1 . . . B 265 ASP H . 25540 1 1688 . 2 2 24 24 ASP HA H 1 4.423 0.01 . 1 . . . B 265 ASP HA . 25540 1 1689 . 2 2 24 24 ASP HB2 H 1 2.643 0.01 . 2 . . . B 265 ASP HB2 . 25540 1 1690 . 2 2 24 24 ASP HB3 H 1 2.623 0.01 . 2 . . . B 265 ASP HB3 . 25540 1 1691 . 2 2 24 24 ASP CA C 13 55.438 0.05 . 1 . . . B 265 ASP CA . 25540 1 1692 . 2 2 24 24 ASP CB C 13 42.535 0.05 . 1 . . . B 265 ASP CB . 25540 1 1693 . 2 2 24 24 ASP N N 15 130.084 0.05 . 1 . . . B 265 ASP N . 25540 1 stop_ save_