data_6225 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6225 _Entry.Title ; 1H, 15N, and 13C Resonance Assignment of the Amino-terminal Domain of Tfb1 subunit of yeast TFIIH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-04 _Entry.Accession_date 2004-06-07 _Entry.Last_release_date 2005-03-18 _Entry.Original_release_date 2005-03-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Bao Nguyen . D. . 6225 2 Paola 'Di Lello' . . . 6225 3 Pascale Legault . . . 6225 4 James Ominchinski . G. . 6225 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6225 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 807 6225 '13C chemical shifts' 497 6225 '15N chemical shifts' 124 6225 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-03-18 2004-06-04 original author . 6225 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6225 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N, and 13C Resonance Assignment of the Amino-terminal Domain of Tfb1 subunit of yeast TFIIH ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 2 _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 173 _Citation.Page_last 174 _Citation.Year 2005 _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 Bao Nguyen . D. . 6225 1 2 Paola 'Di Lello' . . . 6225 1 3 Pascale Legault . . . 6225 1 4 James Ominchinski . G. . 6225 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TFIIH 6225 1 Tfb1 6225 1 p62 6225 1 'NMR assignment' 6225 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Tfb1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Tfb1 _Assembly.Entry_ID 6225 _Assembly.ID 1 _Assembly.Name Tfb1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6225 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tfb1 1 $Tfb1 . . . native . . . . . 6225 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Tfb1 system 6225 1 Tfb1 abbreviation 6225 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tfb1 _Entity.Sf_category entity _Entity.Sf_framecode Tfb1 _Entity.Entry_ID 6225 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Yeast Tfb1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PSHSGAAIFEKVSGIIAINE DVSPAELTWRSTDGDKVHTV VLSTIDKLQATPASSEKMML RLIGKVDESKKRKDNEGNEV VPKPQRHMFSFNNRTVMDNI KMTLQQIISRYKDADGNSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The peptide bond between residues 23 and 24 is in the cis conformation. The four amino acids (G,N,S,S) at the carboxyl-terminus result from the cloning procedure. Also a mutation of the first amino acid (MET1) into a proline is a result of the cloning procedure. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18229 . Tfb1 . . . . . 100.00 119 100.00 100.00 4.99e-81 . . . . 6225 1 2 no BMRB 18842 . Tfb1 . . . . . 100.00 119 100.00 100.00 4.99e-81 . . . . 6225 1 3 no BMRB 19791 . Tfb1 . . . . . 96.64 115 100.00 100.00 4.75e-78 . . . . 6225 1 4 no PDB 1Y5O . "Nmr Structure Of The Amino-Terminal Domain From The Tfb1 Subunit Of Yeast Tfiih" . . . . . 95.80 115 100.00 100.00 4.21e-77 . . . . 6225 1 5 no PDB 2GS0 . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" . . . . . 95.80 115 100.00 100.00 4.21e-77 . . . . 6225 1 6 no PDB 2K2U . "Nmr Structure Of The Complex Between Tfb1 Subunit Of Tfiih And The Activation Domain Of Vp16" . . . . . 96.64 115 100.00 100.00 4.75e-78 . . . . 6225 1 7 no PDB 2L2I . "Nmr Structure Of The Complex Between The Tfb1 Subunit Of Tfiih And The Activation Domain Of Eklf" . . . . . 96.64 115 100.00 100.00 4.75e-78 . . . . 6225 1 8 no PDB 2LOX . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad2" . . . . . 100.00 119 100.00 100.00 4.99e-81 . . . . 6225 1 9 no PDB 2M14 . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad4" . . . . . 100.00 119 100.00 100.00 4.99e-81 . . . . 6225 1 10 no PDB 2MKR . "Structural Characterization Of A Complex Between The Acidic Transactivation Domain Of Ebna2 And The Tfb1/p62 Subunit Of Tfiih" . . . . . 96.64 115 100.00 100.00 4.75e-78 . . . . 6225 1 11 no DBJ GAA22531 . "K7_Tfb1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 12 no EMBL CAY78811 . "Tfb1p [Saccharomyces cerevisiae EC1118]" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 13 no GB AAA35143 . "RNA polymerase II transcription factor b, 73 kDa subunit [Saccharomyces cerevisiae]" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 14 no GB AAB64747 . "Tfb1: RNA Polymerase II transcription factor B 73 kD subunit (Swiss Prot. accession number P32776) [Saccharomyces cerevisiae]" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 15 no GB AAU09707 . "YDR311W [Saccharomyces cerevisiae]" . . . . . 95.80 642 100.00 100.00 1.10e-71 . . . . 6225 1 16 no GB AHY75284 . "Tfb1p [Saccharomyces cerevisiae YJM993]" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 17 no GB EDN60639 . "transcription initiation factor TFIIH subunit [Saccharomyces cerevisiae YJM789]" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 18 no REF NP_010597 . "TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 19 no SP P32776 . "RecName: Full=RNA polymerase II transcription factor B subunit 1; AltName: Full=General transcription and DNA repair factor IIH" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 20 no TPG DAA12150 . "TPA: TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" . . . . . 95.80 642 100.00 100.00 1.26e-71 . . . . 6225 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Yeast Tfb1' common 6225 1 Tfb1 abbreviation 6225 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PRO . 6225 1 2 . SER . 6225 1 3 . HIS . 6225 1 4 . SER . 6225 1 5 . GLY . 6225 1 6 . ALA . 6225 1 7 . ALA . 6225 1 8 . ILE . 6225 1 9 . PHE . 6225 1 10 . GLU . 6225 1 11 . LYS . 6225 1 12 . VAL . 6225 1 13 . SER . 6225 1 14 . GLY . 6225 1 15 . ILE . 6225 1 16 . ILE . 6225 1 17 . ALA . 6225 1 18 . ILE . 6225 1 19 . ASN . 6225 1 20 . GLU . 6225 1 21 . ASP . 6225 1 22 . VAL . 6225 1 23 . SER . 6225 1 24 . PRO . 6225 1 25 . ALA . 6225 1 26 . GLU . 6225 1 27 . LEU . 6225 1 28 . THR . 6225 1 29 . TRP . 6225 1 30 . ARG . 6225 1 31 . SER . 6225 1 32 . THR . 6225 1 33 . ASP . 6225 1 34 . GLY . 6225 1 35 . ASP . 6225 1 36 . LYS . 6225 1 37 . VAL . 6225 1 38 . HIS . 6225 1 39 . THR . 6225 1 40 . VAL . 6225 1 41 . VAL . 6225 1 42 . LEU . 6225 1 43 . SER . 6225 1 44 . THR . 6225 1 45 . ILE . 6225 1 46 . ASP . 6225 1 47 . LYS . 6225 1 48 . LEU . 6225 1 49 . GLN . 6225 1 50 . ALA . 6225 1 51 . THR . 6225 1 52 . PRO . 6225 1 53 . ALA . 6225 1 54 . SER . 6225 1 55 . SER . 6225 1 56 . GLU . 6225 1 57 . LYS . 6225 1 58 . MET . 6225 1 59 . MET . 6225 1 60 . LEU . 6225 1 61 . ARG . 6225 1 62 . LEU . 6225 1 63 . ILE . 6225 1 64 . GLY . 6225 1 65 . LYS . 6225 1 66 . VAL . 6225 1 67 . ASP . 6225 1 68 . GLU . 6225 1 69 . SER . 6225 1 70 . LYS . 6225 1 71 . LYS . 6225 1 72 . ARG . 6225 1 73 . LYS . 6225 1 74 . ASP . 6225 1 75 . ASN . 6225 1 76 . GLU . 6225 1 77 . GLY . 6225 1 78 . ASN . 6225 1 79 . GLU . 6225 1 80 . VAL . 6225 1 81 . VAL . 6225 1 82 . PRO . 6225 1 83 . LYS . 6225 1 84 . PRO . 6225 1 85 . GLN . 6225 1 86 . ARG . 6225 1 87 . HIS . 6225 1 88 . MET . 6225 1 89 . PHE . 6225 1 90 . SER . 6225 1 91 . PHE . 6225 1 92 . ASN . 6225 1 93 . ASN . 6225 1 94 . ARG . 6225 1 95 . THR . 6225 1 96 . VAL . 6225 1 97 . MET . 6225 1 98 . ASP . 6225 1 99 . ASN . 6225 1 100 . ILE . 6225 1 101 . LYS . 6225 1 102 . MET . 6225 1 103 . THR . 6225 1 104 . LEU . 6225 1 105 . GLN . 6225 1 106 . GLN . 6225 1 107 . ILE . 6225 1 108 . ILE . 6225 1 109 . SER . 6225 1 110 . ARG . 6225 1 111 . TYR . 6225 1 112 . LYS . 6225 1 113 . ASP . 6225 1 114 . ALA . 6225 1 115 . ASP . 6225 1 116 . GLY . 6225 1 117 . ASN . 6225 1 118 . SER . 6225 1 119 . SER . 6225 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 6225 1 . SER 2 2 6225 1 . HIS 3 3 6225 1 . SER 4 4 6225 1 . GLY 5 5 6225 1 . ALA 6 6 6225 1 . ALA 7 7 6225 1 . ILE 8 8 6225 1 . PHE 9 9 6225 1 . GLU 10 10 6225 1 . LYS 11 11 6225 1 . VAL 12 12 6225 1 . SER 13 13 6225 1 . GLY 14 14 6225 1 . ILE 15 15 6225 1 . ILE 16 16 6225 1 . ALA 17 17 6225 1 . ILE 18 18 6225 1 . ASN 19 19 6225 1 . GLU 20 20 6225 1 . ASP 21 21 6225 1 . VAL 22 22 6225 1 . SER 23 23 6225 1 . PRO 24 24 6225 1 . ALA 25 25 6225 1 . GLU 26 26 6225 1 . LEU 27 27 6225 1 . THR 28 28 6225 1 . TRP 29 29 6225 1 . ARG 30 30 6225 1 . SER 31 31 6225 1 . THR 32 32 6225 1 . ASP 33 33 6225 1 . GLY 34 34 6225 1 . ASP 35 35 6225 1 . LYS 36 36 6225 1 . VAL 37 37 6225 1 . HIS 38 38 6225 1 . THR 39 39 6225 1 . VAL 40 40 6225 1 . VAL 41 41 6225 1 . LEU 42 42 6225 1 . SER 43 43 6225 1 . THR 44 44 6225 1 . ILE 45 45 6225 1 . ASP 46 46 6225 1 . LYS 47 47 6225 1 . LEU 48 48 6225 1 . GLN 49 49 6225 1 . ALA 50 50 6225 1 . THR 51 51 6225 1 . PRO 52 52 6225 1 . ALA 53 53 6225 1 . SER 54 54 6225 1 . SER 55 55 6225 1 . GLU 56 56 6225 1 . LYS 57 57 6225 1 . MET 58 58 6225 1 . MET 59 59 6225 1 . LEU 60 60 6225 1 . ARG 61 61 6225 1 . LEU 62 62 6225 1 . ILE 63 63 6225 1 . GLY 64 64 6225 1 . LYS 65 65 6225 1 . VAL 66 66 6225 1 . ASP 67 67 6225 1 . GLU 68 68 6225 1 . SER 69 69 6225 1 . LYS 70 70 6225 1 . LYS 71 71 6225 1 . ARG 72 72 6225 1 . LYS 73 73 6225 1 . ASP 74 74 6225 1 . ASN 75 75 6225 1 . GLU 76 76 6225 1 . GLY 77 77 6225 1 . ASN 78 78 6225 1 . GLU 79 79 6225 1 . VAL 80 80 6225 1 . VAL 81 81 6225 1 . PRO 82 82 6225 1 . LYS 83 83 6225 1 . PRO 84 84 6225 1 . GLN 85 85 6225 1 . ARG 86 86 6225 1 . HIS 87 87 6225 1 . MET 88 88 6225 1 . PHE 89 89 6225 1 . SER 90 90 6225 1 . PHE 91 91 6225 1 . ASN 92 92 6225 1 . ASN 93 93 6225 1 . ARG 94 94 6225 1 . THR 95 95 6225 1 . VAL 96 96 6225 1 . MET 97 97 6225 1 . ASP 98 98 6225 1 . ASN 99 99 6225 1 . ILE 100 100 6225 1 . LYS 101 101 6225 1 . MET 102 102 6225 1 . THR 103 103 6225 1 . LEU 104 104 6225 1 . GLN 105 105 6225 1 . GLN 106 106 6225 1 . ILE 107 107 6225 1 . ILE 108 108 6225 1 . SER 109 109 6225 1 . ARG 110 110 6225 1 . TYR 111 111 6225 1 . LYS 112 112 6225 1 . ASP 113 113 6225 1 . ALA 114 114 6225 1 . ASP 115 115 6225 1 . GLY 116 116 6225 1 . ASN 117 117 6225 1 . SER 118 118 6225 1 . SER 119 119 6225 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6225 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Tfb1 . 4932 . . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6225 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 6225 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Tfb1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6225 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Yeast Tfb1' . . . 1 $Tfb1 . . 1.2 . . mM . . . . 6225 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6225 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Yeast Tfb1' '[U-98% 15N]' . . 1 $Tfb1 . . 1.2 . . mM . . . . 6225 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6225 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Yeast Tfb1' '[U-98% 13C; U-98% 15N]' . . 1 $Tfb1 . . 1.2 . . mM . . . . 6225 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6225 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 6.5 0.1 pH 6225 1 temperature 300 0.1 K 6225 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6225 _Software.ID 1 _Software.Name NMRPIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6225 1 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 6225 _Software.ID 2 _Software.Name NMRVIEW _Software.Version 5.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6225 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6225 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6225 _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_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6225 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6225 _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 NMR_spectrometer_1 Varian INOVA . 800 . . . 6225 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6225 1 3 NMR_spectrometer_3 Varian INOVA . 500 . . . 6225 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 6225 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 2 '1H-13C CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 3 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 5 (HB)CBCA(CO)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 7 H(CCO)NNH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 8 C(CO)NNH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 9 '1H-13C HMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 10 '1H-15N NOESY_HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 11 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 12 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 13 (HB)CB(CGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 14 (HB)CB(CGCDCE)HE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6225 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name (HB)CBCA(CO)NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CCO)NNH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NNH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C HMQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-15N NOESY_HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name (HB)CB(CGCD)HD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6225 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6225 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6225 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6225 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6225 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6225 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6225 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 CA C 13 64.000 0.35 . 1 . . . . . . . . 6225 1 2 . 1 1 1 1 PRO HA H 1 4.570 0.02 . 1 . . . . . . . . 6225 1 3 . 1 1 1 1 PRO CB C 13 32.050 0.35 . 1 . . . . . . . . 6225 1 4 . 1 1 1 1 PRO HB3 H 1 1.920 0.02 . 2 . . . . . . . . 6225 1 5 . 1 1 1 1 PRO HB2 H 1 2.330 0.02 . 2 . . . . . . . . 6225 1 6 . 1 1 1 1 PRO CG C 13 27.530 0.35 . 1 . . . . . . . . 6225 1 7 . 1 1 1 1 PRO HG3 H 1 2.010 0.02 . 2 . . . . . . . . 6225 1 8 . 1 1 1 1 PRO HG2 H 1 2.050 0.02 . 2 . . . . . . . . 6225 1 9 . 1 1 1 1 PRO CD C 13 50.990 0.35 . 1 . . . . . . . . 6225 1 10 . 1 1 1 1 PRO HD3 H 1 3.800 0.02 . 2 . . . . . . . . 6225 1 11 . 1 1 1 1 PRO HD2 H 1 3.860 0.02 . 2 . . . . . . . . 6225 1 12 . 1 1 2 2 SER N N 15 112.920 0.10 . 1 . . . . . . . . 6225 1 13 . 1 1 2 2 SER H H 1 8.030 0.02 . 1 . . . . . . . . 6225 1 14 . 1 1 2 2 SER CA C 13 58.850 0.35 . 1 . . . . . . . . 6225 1 15 . 1 1 2 2 SER HA H 1 4.280 0.02 . 1 . . . . . . . . 6225 1 16 . 1 1 2 2 SER CB C 13 63.550 0.35 . 1 . . . . . . . . 6225 1 17 . 1 1 2 2 SER HB3 H 1 3.750 0.02 . 2 . . . . . . . . 6225 1 18 . 1 1 2 2 SER HB2 H 1 3.840 0.02 . 2 . . . . . . . . 6225 1 19 . 1 1 3 3 HIS CA C 13 56.700 0.35 . 1 . . . . . . . . 6225 1 20 . 1 1 3 3 HIS HA H 1 4.600 0.02 . 1 . . . . . . . . 6225 1 21 . 1 1 3 3 HIS CB C 13 31.650 0.35 . 1 . . . . . . . . 6225 1 22 . 1 1 3 3 HIS HB3 H 1 2.900 0.02 . 2 . . . . . . . . 6225 1 23 . 1 1 3 3 HIS HB2 H 1 3.570 0.02 . 2 . . . . . . . . 6225 1 24 . 1 1 3 3 HIS CD2 C 13 118.000 0.35 . 1 . . . . . . . . 6225 1 25 . 1 1 3 3 HIS HD2 H 1 7.050 0.02 . 1 . . . . . . . . 6225 1 26 . 1 1 3 3 HIS CE1 C 13 138.100 0.35 . 1 . . . . . . . . 6225 1 27 . 1 1 3 3 HIS HE1 H 1 8.080 0.02 . 1 . . . . . . . . 6225 1 28 . 1 1 3 3 HIS C C 13 173.920 0.35 . 1 . . . . . . . . 6225 1 29 . 1 1 4 4 SER N N 15 113.640 0.10 . 1 . . . . . . . . 6225 1 30 . 1 1 4 4 SER H H 1 7.820 0.02 . 1 . . . . . . . . 6225 1 31 . 1 1 4 4 SER CA C 13 57.140 0.35 . 1 . . . . . . . . 6225 1 32 . 1 1 4 4 SER HA H 1 5.420 0.02 . 1 . . . . . . . . 6225 1 33 . 1 1 4 4 SER CB C 13 66.120 0.35 . 1 . . . . . . . . 6225 1 34 . 1 1 4 4 SER HB3 H 1 3.840 0.02 . 1 . . . . . . . . 6225 1 35 . 1 1 4 4 SER HB2 H 1 3.840 0.02 . 1 . . . . . . . . 6225 1 36 . 1 1 4 4 SER C C 13 173.480 0.35 . 1 . . . . . . . . 6225 1 37 . 1 1 5 5 GLY N N 15 107.070 0.10 . 1 . . . . . . . . 6225 1 38 . 1 1 5 5 GLY H H 1 8.310 0.02 . 1 . . . . . . . . 6225 1 39 . 1 1 5 5 GLY CA C 13 45.600 0.35 . 1 . . . . . . . . 6225 1 40 . 1 1 5 5 GLY HA3 H 1 4.040 0.02 . 2 . . . . . . . . 6225 1 41 . 1 1 5 5 GLY HA2 H 1 4.220 0.02 . 2 . . . . . . . . 6225 1 42 . 1 1 5 5 GLY C C 13 170.870 0.35 . 1 . . . . . . . . 6225 1 43 . 1 1 6 6 ALA N N 15 125.400 0.10 . 1 . . . . . . . . 6225 1 44 . 1 1 6 6 ALA H H 1 8.630 0.02 . 1 . . . . . . . . 6225 1 45 . 1 1 6 6 ALA CA C 13 52.780 0.35 . 1 . . . . . . . . 6225 1 46 . 1 1 6 6 ALA HA H 1 4.910 0.02 . 1 . . . . . . . . 6225 1 47 . 1 1 6 6 ALA CB C 13 19.470 0.35 . 1 . . . . . . . . 6225 1 48 . 1 1 6 6 ALA HB1 H 1 1.510 0.02 . 1 . . . . . . . . 6225 1 49 . 1 1 6 6 ALA HB2 H 1 1.510 0.02 . 1 . . . . . . . . 6225 1 50 . 1 1 6 6 ALA HB3 H 1 1.510 0.02 . 1 . . . . . . . . 6225 1 51 . 1 1 6 6 ALA C C 13 176.710 0.35 . 1 . . . . . . . . 6225 1 52 . 1 1 7 7 ALA N N 15 120.090 0.10 . 1 . . . . . . . . 6225 1 53 . 1 1 7 7 ALA H H 1 8.360 0.02 . 1 . . . . . . . . 6225 1 54 . 1 1 7 7 ALA CA C 13 51.780 0.35 . 1 . . . . . . . . 6225 1 55 . 1 1 7 7 ALA HA H 1 4.580 0.02 . 1 . . . . . . . . 6225 1 56 . 1 1 7 7 ALA CB C 13 24.050 0.35 . 1 . . . . . . . . 6225 1 57 . 1 1 7 7 ALA HB1 H 1 0.940 0.02 . 1 . . . . . . . . 6225 1 58 . 1 1 7 7 ALA HB2 H 1 0.940 0.02 . 1 . . . . . . . . 6225 1 59 . 1 1 7 7 ALA HB3 H 1 0.940 0.02 . 1 . . . . . . . . 6225 1 60 . 1 1 7 7 ALA C C 13 176.540 0.35 . 1 . . . . . . . . 6225 1 61 . 1 1 8 8 ILE N N 15 125.380 0.10 . 1 . . . . . . . . 6225 1 62 . 1 1 8 8 ILE H H 1 9.300 0.02 . 1 . . . . . . . . 6225 1 63 . 1 1 8 8 ILE CA C 13 60.090 0.35 . 1 . . . . . . . . 6225 1 64 . 1 1 8 8 ILE HA H 1 4.930 0.02 . 1 . . . . . . . . 6225 1 65 . 1 1 8 8 ILE CB C 13 39.640 0.35 . 1 . . . . . . . . 6225 1 66 . 1 1 8 8 ILE HB H 1 1.510 0.02 . 1 . . . . . . . . 6225 1 67 . 1 1 8 8 ILE CG1 C 13 28.900 0.35 . 1 . . . . . . . . 6225 1 68 . 1 1 8 8 ILE HG13 H 1 0.920 0.02 . 2 . . . . . . . . 6225 1 69 . 1 1 8 8 ILE HG12 H 1 1.430 0.02 . 2 . . . . . . . . 6225 1 70 . 1 1 8 8 ILE CD1 C 13 13.640 0.35 . 1 . . . . . . . . 6225 1 71 . 1 1 8 8 ILE HD11 H 1 0.720 0.02 . 1 . . . . . . . . 6225 1 72 . 1 1 8 8 ILE HD12 H 1 0.720 0.02 . 1 . . . . . . . . 6225 1 73 . 1 1 8 8 ILE HD13 H 1 0.720 0.02 . 1 . . . . . . . . 6225 1 74 . 1 1 8 8 ILE CG2 C 13 17.380 0.35 . 1 . . . . . . . . 6225 1 75 . 1 1 8 8 ILE HG21 H 1 0.560 0.02 . 1 . . . . . . . . 6225 1 76 . 1 1 8 8 ILE HG22 H 1 0.560 0.02 . 1 . . . . . . . . 6225 1 77 . 1 1 8 8 ILE HG23 H 1 0.560 0.02 . 1 . . . . . . . . 6225 1 78 . 1 1 8 8 ILE C C 13 175.160 0.35 . 1 . . . . . . . . 6225 1 79 . 1 1 9 9 PHE N N 15 128.790 0.10 . 1 . . . . . . . . 6225 1 80 . 1 1 9 9 PHE H H 1 8.460 0.02 . 1 . . . . . . . . 6225 1 81 . 1 1 9 9 PHE CA C 13 56.310 0.35 . 1 . . . . . . . . 6225 1 82 . 1 1 9 9 PHE HA H 1 4.290 0.02 . 1 . . . . . . . . 6225 1 83 . 1 1 9 9 PHE CB C 13 39.570 0.35 . 1 . . . . . . . . 6225 1 84 . 1 1 9 9 PHE HB3 H 1 0.300 0.02 . 2 . . . . . . . . 6225 1 85 . 1 1 9 9 PHE HB2 H 1 1.080 0.02 . 2 . . . . . . . . 6225 1 86 . 1 1 9 9 PHE CD1 C 13 131.700 0.35 . 1 . . . . . . . . 6225 1 87 . 1 1 9 9 PHE HD1 H 1 6.150 0.02 . 1 . . . . . . . . 6225 1 88 . 1 1 9 9 PHE HE1 H 1 6.570 0.02 . 1 . . . . . . . . 6225 1 89 . 1 1 9 9 PHE CZ C 13 128.700 0.35 . 1 . . . . . . . . 6225 1 90 . 1 1 9 9 PHE HZ H 1 6.320 0.02 . 1 . . . . . . . . 6225 1 91 . 1 1 9 9 PHE HE2 H 1 6.570 0.02 . 1 . . . . . . . . 6225 1 92 . 1 1 9 9 PHE CD2 C 13 131.700 0.35 . 1 . . . . . . . . 6225 1 93 . 1 1 9 9 PHE HD2 H 1 6.150 0.02 . 1 . . . . . . . . 6225 1 94 . 1 1 9 9 PHE C C 13 174.010 0.35 . 1 . . . . . . . . 6225 1 95 . 1 1 10 10 GLU N N 15 126.460 0.10 . 1 . . . . . . . . 6225 1 96 . 1 1 10 10 GLU H H 1 8.760 0.02 . 1 . . . . . . . . 6225 1 97 . 1 1 10 10 GLU CA C 13 56.860 0.35 . 1 . . . . . . . . 6225 1 98 . 1 1 10 10 GLU HA H 1 3.140 0.02 . 1 . . . . . . . . 6225 1 99 . 1 1 10 10 GLU CB C 13 26.750 0.35 . 1 . . . . . . . . 6225 1 100 . 1 1 10 10 GLU HB3 H 1 1.190 0.02 . 2 . . . . . . . . 6225 1 101 . 1 1 10 10 GLU HB2 H 1 1.540 0.02 . 2 . . . . . . . . 6225 1 102 . 1 1 10 10 GLU CG C 13 35.330 0.35 . 1 . . . . . . . . 6225 1 103 . 1 1 10 10 GLU HG3 H 1 0.750 0.02 . 2 . . . . . . . . 6225 1 104 . 1 1 10 10 GLU HG2 H 1 0.840 0.02 . 2 . . . . . . . . 6225 1 105 . 1 1 10 10 GLU C C 13 175.140 0.35 . 1 . . . . . . . . 6225 1 106 . 1 1 11 11 LYS N N 15 105.930 0.10 . 1 . . . . . . . . 6225 1 107 . 1 1 11 11 LYS H H 1 7.900 0.02 . 1 . . . . . . . . 6225 1 108 . 1 1 11 11 LYS CA C 13 58.680 0.35 . 1 . . . . . . . . 6225 1 109 . 1 1 11 11 LYS HA H 1 3.360 0.02 . 1 . . . . . . . . 6225 1 110 . 1 1 11 11 LYS CB C 13 30.210 0.35 . 1 . . . . . . . . 6225 1 111 . 1 1 11 11 LYS HB3 H 1 1.910 0.02 . 2 . . . . . . . . 6225 1 112 . 1 1 11 11 LYS HB2 H 1 2.140 0.02 . 2 . . . . . . . . 6225 1 113 . 1 1 11 11 LYS CG C 13 25.660 0.35 . 1 . . . . . . . . 6225 1 114 . 1 1 11 11 LYS HG3 H 1 1.140 0.02 . 1 . . . . . . . . 6225 1 115 . 1 1 11 11 LYS HG2 H 1 1.140 0.02 . 1 . . . . . . . . 6225 1 116 . 1 1 11 11 LYS CD C 13 29.090 0.35 . 1 . . . . . . . . 6225 1 117 . 1 1 11 11 LYS HD3 H 1 1.520 0.02 . 2 . . . . . . . . 6225 1 118 . 1 1 11 11 LYS HD2 H 1 1.580 0.02 . 2 . . . . . . . . 6225 1 119 . 1 1 11 11 LYS CE C 13 42.090 0.35 . 1 . . . . . . . . 6225 1 120 . 1 1 11 11 LYS HE3 H 1 2.850 0.02 . 1 . . . . . . . . 6225 1 121 . 1 1 11 11 LYS HE2 H 1 2.850 0.02 . 1 . . . . . . . . 6225 1 122 . 1 1 11 11 LYS C C 13 175.480 0.35 . 1 . . . . . . . . 6225 1 123 . 1 1 12 12 VAL N N 15 123.840 0.10 . 1 . . . . . . . . 6225 1 124 . 1 1 12 12 VAL H H 1 7.900 0.02 . 1 . . . . . . . . 6225 1 125 . 1 1 12 12 VAL CA C 13 61.960 0.35 . 1 . . . . . . . . 6225 1 126 . 1 1 12 12 VAL HA H 1 4.370 0.02 . 1 . . . . . . . . 6225 1 127 . 1 1 12 12 VAL CB C 13 34.310 0.35 . 1 . . . . . . . . 6225 1 128 . 1 1 12 12 VAL HB H 1 2.500 0.02 . 1 . . . . . . . . 6225 1 129 . 1 1 12 12 VAL CG2 C 13 22.030 0.35 . 2 . . . . . . . . 6225 1 130 . 1 1 12 12 VAL HG21 H 1 1.080 0.02 . 2 . . . . . . . . 6225 1 131 . 1 1 12 12 VAL HG22 H 1 1.080 0.02 . 2 . . . . . . . . 6225 1 132 . 1 1 12 12 VAL HG23 H 1 1.080 0.02 . 2 . . . . . . . . 6225 1 133 . 1 1 12 12 VAL CG1 C 13 22.430 0.35 . 2 . . . . . . . . 6225 1 134 . 1 1 12 12 VAL HG11 H 1 1.440 0.02 . 2 . . . . . . . . 6225 1 135 . 1 1 12 12 VAL HG12 H 1 1.440 0.02 . 2 . . . . . . . . 6225 1 136 . 1 1 12 12 VAL HG13 H 1 1.440 0.02 . 2 . . . . . . . . 6225 1 137 . 1 1 12 12 VAL C C 13 175.070 0.35 . 1 . . . . . . . . 6225 1 138 . 1 1 13 13 SER N N 15 122.060 0.10 . 1 . . . . . . . . 6225 1 139 . 1 1 13 13 SER H H 1 8.880 0.02 . 1 . . . . . . . . 6225 1 140 . 1 1 13 13 SER CA C 13 59.980 0.35 . 1 . . . . . . . . 6225 1 141 . 1 1 13 13 SER HA H 1 4.580 0.02 . 1 . . . . . . . . 6225 1 142 . 1 1 13 13 SER CB C 13 63.870 0.35 . 1 . . . . . . . . 6225 1 143 . 1 1 13 13 SER HB3 H 1 4.000 0.02 . 2 . . . . . . . . 6225 1 144 . 1 1 13 13 SER HB2 H 1 3.950 0.02 . 2 . . . . . . . . 6225 1 145 . 1 1 13 13 SER C C 13 175.260 0.35 . 1 . . . . . . . . 6225 1 146 . 1 1 14 14 GLY N N 15 113.170 0.10 . 1 . . . . . . . . 6225 1 147 . 1 1 14 14 GLY H H 1 8.290 0.02 . 1 . . . . . . . . 6225 1 148 . 1 1 14 14 GLY CA C 13 46.710 0.35 . 1 . . . . . . . . 6225 1 149 . 1 1 14 14 GLY HA3 H 1 4.080 0.02 . 2 . . . . . . . . 6225 1 150 . 1 1 14 14 GLY HA2 H 1 4.300 0.02 . 2 . . . . . . . . 6225 1 151 . 1 1 14 14 GLY C C 13 172.680 0.35 . 1 . . . . . . . . 6225 1 152 . 1 1 15 15 ILE N N 15 123.130 0.10 . 1 . . . . . . . . 6225 1 153 . 1 1 15 15 ILE H H 1 8.270 0.02 . 1 . . . . . . . . 6225 1 154 . 1 1 15 15 ILE CA C 13 59.480 0.35 . 1 . . . . . . . . 6225 1 155 . 1 1 15 15 ILE HA H 1 4.760 0.02 . 1 . . . . . . . . 6225 1 156 . 1 1 15 15 ILE CB C 13 41.680 0.35 . 1 . . . . . . . . 6225 1 157 . 1 1 15 15 ILE HB H 1 1.630 0.02 . 1 . . . . . . . . 6225 1 158 . 1 1 15 15 ILE CG1 C 13 27.670 0.35 . 1 . . . . . . . . 6225 1 159 . 1 1 15 15 ILE HG13 H 1 1.040 0.02 . 2 . . . . . . . . 6225 1 160 . 1 1 15 15 ILE HG12 H 1 1.320 0.02 . 2 . . . . . . . . 6225 1 161 . 1 1 15 15 ILE CD1 C 13 12.240 0.35 . 1 . . . . . . . . 6225 1 162 . 1 1 15 15 ILE HD11 H 1 0.730 0.02 . 1 . . . . . . . . 6225 1 163 . 1 1 15 15 ILE HD12 H 1 0.730 0.02 . 1 . . . . . . . . 6225 1 164 . 1 1 15 15 ILE HD13 H 1 0.730 0.02 . 1 . . . . . . . . 6225 1 165 . 1 1 15 15 ILE CG2 C 13 17.360 0.35 . 1 . . . . . . . . 6225 1 166 . 1 1 15 15 ILE HG21 H 1 0.730 0.02 . 1 . . . . . . . . 6225 1 167 . 1 1 15 15 ILE HG22 H 1 0.730 0.02 . 1 . . . . . . . . 6225 1 168 . 1 1 15 15 ILE HG23 H 1 0.730 0.02 . 1 . . . . . . . . 6225 1 169 . 1 1 15 15 ILE C C 13 175.440 0.35 . 1 . . . . . . . . 6225 1 170 . 1 1 16 16 ILE N N 15 127.610 0.10 . 1 . . . . . . . . 6225 1 171 . 1 1 16 16 ILE H H 1 9.390 0.02 . 1 . . . . . . . . 6225 1 172 . 1 1 16 16 ILE CA C 13 60.080 0.35 . 1 . . . . . . . . 6225 1 173 . 1 1 16 16 ILE HA H 1 4.880 0.02 . 1 . . . . . . . . 6225 1 174 . 1 1 16 16 ILE CB C 13 41.570 0.35 . 1 . . . . . . . . 6225 1 175 . 1 1 16 16 ILE HB H 1 1.590 0.02 . 1 . . . . . . . . 6225 1 176 . 1 1 16 16 ILE CG1 C 13 29.870 0.35 . 1 . . . . . . . . 6225 1 177 . 1 1 16 16 ILE HG13 H 1 0.710 0.02 . 2 . . . . . . . . 6225 1 178 . 1 1 16 16 ILE HG12 H 1 1.530 0.02 . 2 . . . . . . . . 6225 1 179 . 1 1 16 16 ILE CD1 C 13 13.920 0.35 . 1 . . . . . . . . 6225 1 180 . 1 1 16 16 ILE HD11 H 1 0.1030 0.02 . 1 . . . . . . . . 6225 1 181 . 1 1 16 16 ILE HD12 H 1 0.1030 0.02 . 1 . . . . . . . . 6225 1 182 . 1 1 16 16 ILE HD13 H 1 0.1030 0.02 . 1 . . . . . . . . 6225 1 183 . 1 1 16 16 ILE CG2 C 13 16.820 0.35 . 1 . . . . . . . . 6225 1 184 . 1 1 16 16 ILE HG21 H 1 0.710 0.02 . 1 . . . . . . . . 6225 1 185 . 1 1 16 16 ILE HG22 H 1 0.710 0.02 . 1 . . . . . . . . 6225 1 186 . 1 1 16 16 ILE HG23 H 1 0.710 0.02 . 1 . . . . . . . . 6225 1 187 . 1 1 16 16 ILE C C 13 173.370 0.35 . 1 . . . . . . . . 6225 1 188 . 1 1 17 17 ALA N N 15 127.930 0.10 . 1 . . . . . . . . 6225 1 189 . 1 1 17 17 ALA H H 1 8.960 0.02 . 1 . . . . . . . . 6225 1 190 . 1 1 17 17 ALA CA C 13 51.510 0.35 . 1 . . . . . . . . 6225 1 191 . 1 1 17 17 ALA HA H 1 5.060 0.02 . 1 . . . . . . . . 6225 1 192 . 1 1 17 17 ALA CB C 13 22.140 0.35 . 1 . . . . . . . . 6225 1 193 . 1 1 17 17 ALA HB1 H 1 1.320 0.02 . 1 . . . . . . . . 6225 1 194 . 1 1 17 17 ALA HB2 H 1 1.320 0.02 . 1 . . . . . . . . 6225 1 195 . 1 1 17 17 ALA HB3 H 1 1.320 0.02 . 1 . . . . . . . . 6225 1 196 . 1 1 17 17 ALA C C 13 176.170 0.35 . 1 . . . . . . . . 6225 1 197 . 1 1 18 18 ILE N N 15 122.500 0.10 . 1 . . . . . . . . 6225 1 198 . 1 1 18 18 ILE H H 1 8.690 0.02 . 1 . . . . . . . . 6225 1 199 . 1 1 18 18 ILE CA C 13 60.940 0.35 . 1 . . . . . . . . 6225 1 200 . 1 1 18 18 ILE HA H 1 4.520 0.02 . 1 . . . . . . . . 6225 1 201 . 1 1 18 18 ILE CB C 13 39.100 0.35 . 1 . . . . . . . . 6225 1 202 . 1 1 18 18 ILE HB H 1 1.830 0.02 . 1 . . . . . . . . 6225 1 203 . 1 1 18 18 ILE CG1 C 13 28.500 0.35 . 1 . . . . . . . . 6225 1 204 . 1 1 18 18 ILE HG13 H 1 1.500 0.02 . 1 . . . . . . . . 6225 1 205 . 1 1 18 18 ILE HG12 H 1 1.500 0.02 . 1 . . . . . . . . 6225 1 206 . 1 1 18 18 ILE CD1 C 13 14.970 0.35 . 1 . . . . . . . . 6225 1 207 . 1 1 18 18 ILE HD11 H 1 0.780 0.02 . 1 . . . . . . . . 6225 1 208 . 1 1 18 18 ILE HD12 H 1 0.780 0.02 . 1 . . . . . . . . 6225 1 209 . 1 1 18 18 ILE HD13 H 1 0.780 0.02 . 1 . . . . . . . . 6225 1 210 . 1 1 18 18 ILE CG2 C 13 17.900 0.35 . 1 . . . . . . . . 6225 1 211 . 1 1 18 18 ILE HG21 H 1 0.690 0.02 . 1 . . . . . . . . 6225 1 212 . 1 1 18 18 ILE HG22 H 1 0.690 0.02 . 1 . . . . . . . . 6225 1 213 . 1 1 18 18 ILE HG23 H 1 0.690 0.02 . 1 . . . . . . . . 6225 1 214 . 1 1 18 18 ILE C C 13 174.190 0.35 . 1 . . . . . . . . 6225 1 215 . 1 1 19 19 ASN N N 15 127.570 0.10 . 1 . . . . . . . . 6225 1 216 . 1 1 19 19 ASN H H 1 9.360 0.02 . 1 . . . . . . . . 6225 1 217 . 1 1 19 19 ASN CA C 13 51.770 0.35 . 1 . . . . . . . . 6225 1 218 . 1 1 19 19 ASN HA H 1 5.050 0.02 . 1 . . . . . . . . 6225 1 219 . 1 1 19 19 ASN CB C 13 39.760 0.35 . 1 . . . . . . . . 6225 1 220 . 1 1 19 19 ASN HB3 H 1 2.720 0.02 . 2 . . . . . . . . 6225 1 221 . 1 1 19 19 ASN HB2 H 1 3.100 0.02 . 2 . . . . . . . . 6225 1 222 . 1 1 19 19 ASN CG C 13 176.700 0.35 . 1 . . . . . . . . 6225 1 223 . 1 1 19 19 ASN ND2 N 15 110.850 0.10 . 1 . . . . . . . . 6225 1 224 . 1 1 19 19 ASN HD21 H 1 7.690 0.02 . 2 . . . . . . . . 6225 1 225 . 1 1 19 19 ASN HD22 H 1 6.850 0.02 . 2 . . . . . . . . 6225 1 226 . 1 1 19 19 ASN C C 13 174.710 0.35 . 1 . . . . . . . . 6225 1 227 . 1 1 20 20 GLU N N 15 121.550 0.10 . 1 . . . . . . . . 6225 1 228 . 1 1 20 20 GLU H H 1 9.040 0.02 . 1 . . . . . . . . 6225 1 229 . 1 1 20 20 GLU CA C 13 56.080 0.35 . 1 . . . . . . . . 6225 1 230 . 1 1 20 20 GLU HA H 1 4.660 0.02 . 1 . . . . . . . . 6225 1 231 . 1 1 20 20 GLU CB C 13 30.940 0.35 . 1 . . . . . . . . 6225 1 232 . 1 1 20 20 GLU HB3 H 1 2.390 0.02 . 2 . . . . . . . . 6225 1 233 . 1 1 20 20 GLU HB2 H 1 1.970 0.02 . 2 . . . . . . . . 6225 1 234 . 1 1 20 20 GLU CG C 13 39.100 0.35 . 1 . . . . . . . . 6225 1 235 . 1 1 20 20 GLU HG3 H 1 2.030 0.02 . 2 . . . . . . . . 6225 1 236 . 1 1 20 20 GLU HG2 H 1 2.160 0.02 . 2 . . . . . . . . 6225 1 237 . 1 1 20 20 GLU C C 13 176.110 0.35 . 1 . . . . . . . . 6225 1 238 . 1 1 21 21 ASP N N 15 121.090 0.10 . 1 . . . . . . . . 6225 1 239 . 1 1 21 21 ASP H H 1 8.700 0.02 . 1 . . . . . . . . 6225 1 240 . 1 1 21 21 ASP CA C 13 55.700 0.35 . 1 . . . . . . . . 6225 1 241 . 1 1 21 21 ASP HA H 1 4.570 0.02 . 1 . . . . . . . . 6225 1 242 . 1 1 21 21 ASP CB C 13 40.580 0.35 . 1 . . . . . . . . 6225 1 243 . 1 1 21 21 ASP HB3 H 1 2.850 0.02 . 2 . . . . . . . . 6225 1 244 . 1 1 21 21 ASP HB2 H 1 2.790 0.02 . 2 . . . . . . . . 6225 1 245 . 1 1 21 21 ASP C C 13 175.630 0.35 . 1 . . . . . . . . 6225 1 246 . 1 1 22 22 VAL N N 15 113.080 0.10 . 1 . . . . . . . . 6225 1 247 . 1 1 22 22 VAL H H 1 6.810 0.02 . 1 . . . . . . . . 6225 1 248 . 1 1 22 22 VAL CA C 13 59.230 0.35 . 1 . . . . . . . . 6225 1 249 . 1 1 22 22 VAL HA H 1 4.280 0.02 . 1 . . . . . . . . 6225 1 250 . 1 1 22 22 VAL CB C 13 34.030 0.35 . 1 . . . . . . . . 6225 1 251 . 1 1 22 22 VAL HB H 1 1.960 0.02 . 1 . . . . . . . . 6225 1 252 . 1 1 22 22 VAL CG2 C 13 18.080 0.35 . 2 . . . . . . . . 6225 1 253 . 1 1 22 22 VAL HG21 H 1 0.740 0.02 . 2 . . . . . . . . 6225 1 254 . 1 1 22 22 VAL HG22 H 1 0.740 0.02 . 2 . . . . . . . . 6225 1 255 . 1 1 22 22 VAL HG23 H 1 0.740 0.02 . 2 . . . . . . . . 6225 1 256 . 1 1 22 22 VAL CG1 C 13 21.270 0.35 . 2 . . . . . . . . 6225 1 257 . 1 1 22 22 VAL HG11 H 1 0.790 0.02 . 2 . . . . . . . . 6225 1 258 . 1 1 22 22 VAL HG12 H 1 0.790 0.02 . 2 . . . . . . . . 6225 1 259 . 1 1 22 22 VAL HG13 H 1 0.790 0.02 . 2 . . . . . . . . 6225 1 260 . 1 1 22 22 VAL C C 13 173.360 0.35 . 1 . . . . . . . . 6225 1 261 . 1 1 23 23 SER N N 15 115.020 0.10 . 1 . . . . . . . . 6225 1 262 . 1 1 23 23 SER H H 1 8.040 0.02 . 1 . . . . . . . . 6225 1 263 . 1 1 23 23 SER CA C 13 53.880 0.35 . 1 . . . . . . . . 6225 1 264 . 1 1 23 23 SER HA H 1 4.700 0.02 . 1 . . . . . . . . 6225 1 265 . 1 1 23 23 SER CB C 13 64.900 0.35 . 1 . . . . . . . . 6225 1 266 . 1 1 23 23 SER HB3 H 1 3.700 0.02 . 2 . . . . . . . . 6225 1 267 . 1 1 23 23 SER HB2 H 1 3.590 0.02 . 2 . . . . . . . . 6225 1 268 . 1 1 24 24 PRO CA C 13 62.910 0.35 . 1 . . . . . . . . 6225 1 269 . 1 1 24 24 PRO HA H 1 4.730 0.02 . 1 . . . . . . . . 6225 1 270 . 1 1 24 24 PRO CB C 13 34.780 0.35 . 1 . . . . . . . . 6225 1 271 . 1 1 24 24 PRO HB3 H 1 1.780 0.02 . 2 . . . . . . . . 6225 1 272 . 1 1 24 24 PRO HB2 H 1 2.080 0.02 . 2 . . . . . . . . 6225 1 273 . 1 1 24 24 PRO CG C 13 26.020 0.35 . 1 . . . . . . . . 6225 1 274 . 1 1 24 24 PRO HG3 H 1 1.800 0.02 . 2 . . . . . . . . 6225 1 275 . 1 1 24 24 PRO HG2 H 1 1.760 0.02 . 2 . . . . . . . . 6225 1 276 . 1 1 24 24 PRO CD C 13 49.760 0.35 . 1 . . . . . . . . 6225 1 277 . 1 1 24 24 PRO HD3 H 1 3.440 0.02 . 1 . . . . . . . . 6225 1 278 . 1 1 24 24 PRO HD2 H 1 3.440 0.02 . 1 . . . . . . . . 6225 1 279 . 1 1 24 24 PRO C C 13 174.700 0.35 . 1 . . . . . . . . 6225 1 280 . 1 1 25 25 ALA N N 15 120.420 0.10 . 1 . . . . . . . . 6225 1 281 . 1 1 25 25 ALA H H 1 7.930 0.02 . 1 . . . . . . . . 6225 1 282 . 1 1 25 25 ALA CA C 13 52.740 0.35 . 1 . . . . . . . . 6225 1 283 . 1 1 25 25 ALA HA H 1 4.480 0.02 . 1 . . . . . . . . 6225 1 284 . 1 1 25 25 ALA CB C 13 20.610 0.35 . 1 . . . . . . . . 6225 1 285 . 1 1 25 25 ALA HB1 H 1 1.510 0.02 . 1 . . . . . . . . 6225 1 286 . 1 1 25 25 ALA HB2 H 1 1.510 0.02 . 1 . . . . . . . . 6225 1 287 . 1 1 25 25 ALA HB3 H 1 1.510 0.02 . 1 . . . . . . . . 6225 1 288 . 1 1 25 25 ALA C C 13 175.660 0.35 . 1 . . . . . . . . 6225 1 289 . 1 1 26 26 GLU N N 15 115.420 0.10 . 1 . . . . . . . . 6225 1 290 . 1 1 26 26 GLU H H 1 7.840 0.02 . 1 . . . . . . . . 6225 1 291 . 1 1 26 26 GLU CA C 13 54.180 0.35 . 1 . . . . . . . . 6225 1 292 . 1 1 26 26 GLU HA H 1 4.990 0.02 . 1 . . . . . . . . 6225 1 293 . 1 1 26 26 GLU CB C 13 34.600 0.35 . 1 . . . . . . . . 6225 1 294 . 1 1 26 26 GLU HB3 H 1 1.680 0.02 . 2 . . . . . . . . 6225 1 295 . 1 1 26 26 GLU HB2 H 1 1.740 0.02 . 2 . . . . . . . . 6225 1 296 . 1 1 26 26 GLU CG C 13 36.140 0.35 . 1 . . . . . . . . 6225 1 297 . 1 1 26 26 GLU HG3 H 1 1.940 0.02 . 2 . . . . . . . . 6225 1 298 . 1 1 26 26 GLU HG2 H 1 2.310 0.02 . 2 . . . . . . . . 6225 1 299 . 1 1 26 26 GLU C C 13 174.530 0.35 . 1 . . . . . . . . 6225 1 300 . 1 1 27 27 LEU N N 15 124.420 0.10 . 1 . . . . . . . . 6225 1 301 . 1 1 27 27 LEU H H 1 8.860 0.02 . 1 . . . . . . . . 6225 1 302 . 1 1 27 27 LEU CA C 13 53.860 0.35 . 1 . . . . . . . . 6225 1 303 . 1 1 27 27 LEU HA H 1 5.000 0.02 . 1 . . . . . . . . 6225 1 304 . 1 1 27 27 LEU CB C 13 45.720 0.35 . 1 . . . . . . . . 6225 1 305 . 1 1 27 27 LEU HB3 H 1 1.570 0.02 . 2 . . . . . . . . 6225 1 306 . 1 1 27 27 LEU HB2 H 1 1.360 0.02 . 2 . . . . . . . . 6225 1 307 . 1 1 27 27 LEU CG C 13 27.340 0.35 . 1 . . . . . . . . 6225 1 308 . 1 1 27 27 LEU HG H 1 1.370 0.02 . 1 . . . . . . . . 6225 1 309 . 1 1 27 27 LEU CD1 C 13 27.340 0.35 . 2 . . . . . . . . 6225 1 310 . 1 1 27 27 LEU HD11 H 1 0.620 0.02 . 2 . . . . . . . . 6225 1 311 . 1 1 27 27 LEU HD12 H 1 0.620 0.02 . 2 . . . . . . . . 6225 1 312 . 1 1 27 27 LEU HD13 H 1 0.620 0.02 . 2 . . . . . . . . 6225 1 313 . 1 1 27 27 LEU CD2 C 13 25.770 0.35 . 2 . . . . . . . . 6225 1 314 . 1 1 27 27 LEU HD21 H 1 0.520 0.02 . 2 . . . . . . . . 6225 1 315 . 1 1 27 27 LEU HD22 H 1 0.520 0.02 . 2 . . . . . . . . 6225 1 316 . 1 1 27 27 LEU HD23 H 1 0.520 0.02 . 2 . . . . . . . . 6225 1 317 . 1 1 27 27 LEU C C 13 174.640 0.35 . 1 . . . . . . . . 6225 1 318 . 1 1 28 28 THR N N 15 121.650 0.10 . 1 . . . . . . . . 6225 1 319 . 1 1 28 28 THR H H 1 9.250 0.02 . 1 . . . . . . . . 6225 1 320 . 1 1 28 28 THR CA C 13 61.310 0.35 . 1 . . . . . . . . 6225 1 321 . 1 1 28 28 THR HA H 1 5.190 0.02 . 1 . . . . . . . . 6225 1 322 . 1 1 28 28 THR CB C 13 71.690 0.35 . 1 . . . . . . . . 6225 1 323 . 1 1 28 28 THR HB H 1 3.910 0.02 . 1 . . . . . . . . 6225 1 324 . 1 1 28 28 THR CG2 C 13 22.050 0.35 . 1 . . . . . . . . 6225 1 325 . 1 1 28 28 THR HG21 H 1 1.090 0.02 . 1 . . . . . . . . 6225 1 326 . 1 1 28 28 THR HG22 H 1 1.090 0.02 . 1 . . . . . . . . 6225 1 327 . 1 1 28 28 THR HG23 H 1 1.090 0.02 . 1 . . . . . . . . 6225 1 328 . 1 1 28 28 THR C C 13 172.670 0.35 . 1 . . . . . . . . 6225 1 329 . 1 1 29 29 TRP N N 15 128.980 0.10 . 1 . . . . . . . . 6225 1 330 . 1 1 29 29 TRP H H 1 9.440 0.02 . 1 . . . . . . . . 6225 1 331 . 1 1 29 29 TRP CA C 13 55.880 0.35 . 1 . . . . . . . . 6225 1 332 . 1 1 29 29 TRP HA H 1 5.380 0.02 . 1 . . . . . . . . 6225 1 333 . 1 1 29 29 TRP CB C 13 32.110 0.35 . 1 . . . . . . . . 6225 1 334 . 1 1 29 29 TRP HB3 H 1 2.740 0.02 . 2 . . . . . . . . 6225 1 335 . 1 1 29 29 TRP HB2 H 1 3.100 0.02 . 2 . . . . . . . . 6225 1 336 . 1 1 29 29 TRP CD1 C 13 124.450 0.35 . 1 . . . . . . . . 6225 1 337 . 1 1 29 29 TRP HD1 H 1 6.620 0.02 . 1 . . . . . . . . 6225 1 338 . 1 1 29 29 TRP NE1 N 15 126.160 0.10 . 1 . . . . . . . . 6225 1 339 . 1 1 29 29 TRP HE1 H 1 9.450 0.02 . 1 . . . . . . . . 6225 1 340 . 1 1 29 29 TRP CZ2 C 13 114.660 0.35 . 1 . . . . . . . . 6225 1 341 . 1 1 29 29 TRP HZ2 H 1 7.600 0.02 . 1 . . . . . . . . 6225 1 342 . 1 1 29 29 TRP HH2 H 1 7.080 0.02 . 1 . . . . . . . . 6225 1 343 . 1 1 29 29 TRP HZ3 H 1 6.900 0.02 . 1 . . . . . . . . 6225 1 344 . 1 1 29 29 TRP HE3 H 1 7.320 0.02 . 1 . . . . . . . . 6225 1 345 . 1 1 29 29 TRP C C 13 173.830 0.35 . 1 . . . . . . . . 6225 1 346 . 1 1 30 30 ARG N N 15 126.350 0.10 . 1 . . . . . . . . 6225 1 347 . 1 1 30 30 ARG H H 1 7.580 0.02 . 1 . . . . . . . . 6225 1 348 . 1 1 30 30 ARG CA C 13 53.510 0.35 . 1 . . . . . . . . 6225 1 349 . 1 1 30 30 ARG HA H 1 4.770 0.02 . 1 . . . . . . . . 6225 1 350 . 1 1 30 30 ARG CB C 13 33.820 0.35 . 1 . . . . . . . . 6225 1 351 . 1 1 30 30 ARG HB3 H 1 1.390 0.02 . 2 . . . . . . . . 6225 1 352 . 1 1 30 30 ARG HB2 H 1 1.520 0.02 . 2 . . . . . . . . 6225 1 353 . 1 1 30 30 ARG CG C 13 27.540 0.35 . 1 . . . . . . . . 6225 1 354 . 1 1 30 30 ARG HG3 H 1 1.420 0.02 . 2 . . . . . . . . 6225 1 355 . 1 1 30 30 ARG HG2 H 1 1.560 0.02 . 2 . . . . . . . . 6225 1 356 . 1 1 30 30 ARG CD C 13 43.420 0.35 . 1 . . . . . . . . 6225 1 357 . 1 1 30 30 ARG HD3 H 1 3.000 0.02 . 2 . . . . . . . . 6225 1 358 . 1 1 30 30 ARG HD2 H 1 3.060 0.02 . 2 . . . . . . . . 6225 1 359 . 1 1 30 30 ARG NE N 15 111.050 0.10 . 1 . . . . . . . . 6225 1 360 . 1 1 30 30 ARG HE H 1 7.110 0.02 . 1 . . . . . . . . 6225 1 361 . 1 1 30 30 ARG C C 13 174.790 0.35 . 1 . . . . . . . . 6225 1 362 . 1 1 31 31 SER N N 15 118.520 0.10 . 1 . . . . . . . . 6225 1 363 . 1 1 31 31 SER H H 1 8.060 0.02 . 1 . . . . . . . . 6225 1 364 . 1 1 31 31 SER CA C 13 57.980 0.35 . 1 . . . . . . . . 6225 1 365 . 1 1 31 31 SER HA H 1 4.040 0.02 . 1 . . . . . . . . 6225 1 366 . 1 1 31 31 SER CB C 13 64.320 0.35 . 1 . . . . . . . . 6225 1 367 . 1 1 31 31 SER HB3 H 1 3.960 0.02 . 2 . . . . . . . . 6225 1 368 . 1 1 31 31 SER HB2 H 1 4.430 0.02 . 2 . . . . . . . . 6225 1 369 . 1 1 31 31 SER C C 13 176.350 0.35 . 1 . . . . . . . . 6225 1 370 . 1 1 32 32 THR N N 15 119.270 0.10 . 1 . . . . . . . . 6225 1 371 . 1 1 32 32 THR H H 1 8.530 0.02 . 1 . . . . . . . . 6225 1 372 . 1 1 32 32 THR CA C 13 66.320 0.35 . 1 . . . . . . . . 6225 1 373 . 1 1 32 32 THR HA H 1 3.820 0.02 . 1 . . . . . . . . 6225 1 374 . 1 1 32 32 THR CB C 13 68.710 0.35 . 1 . . . . . . . . 6225 1 375 . 1 1 32 32 THR HB H 1 4.080 0.02 . 1 . . . . . . . . 6225 1 376 . 1 1 32 32 THR CG2 C 13 22.320 0.35 . 1 . . . . . . . . 6225 1 377 . 1 1 32 32 THR HG21 H 1 1.180 0.02 . 1 . . . . . . . . 6225 1 378 . 1 1 32 32 THR HG22 H 1 1.180 0.02 . 1 . . . . . . . . 6225 1 379 . 1 1 32 32 THR HG23 H 1 1.180 0.02 . 1 . . . . . . . . 6225 1 380 . 1 1 32 32 THR C C 13 175.560 0.35 . 1 . . . . . . . . 6225 1 381 . 1 1 33 33 ASP N N 15 117.300 0.10 . 1 . . . . . . . . 6225 1 382 . 1 1 33 33 ASP H H 1 8.210 0.02 . 1 . . . . . . . . 6225 1 383 . 1 1 33 33 ASP CA C 13 54.480 0.35 . 1 . . . . . . . . 6225 1 384 . 1 1 33 33 ASP HA H 1 4.590 0.02 . 1 . . . . . . . . 6225 1 385 . 1 1 33 33 ASP CB C 13 41.110 0.35 . 1 . . . . . . . . 6225 1 386 . 1 1 33 33 ASP HB3 H 1 2.680 0.02 . 2 . . . . . . . . 6225 1 387 . 1 1 33 33 ASP HB2 H 1 2.740 0.02 . 2 . . . . . . . . 6225 1 388 . 1 1 33 33 ASP C C 13 177.010 0.35 . 1 . . . . . . . . 6225 1 389 . 1 1 34 34 GLY N N 15 109.220 0.10 . 1 . . . . . . . . 6225 1 390 . 1 1 34 34 GLY H H 1 7.920 0.02 . 1 . . . . . . . . 6225 1 391 . 1 1 34 34 GLY CA C 13 45.580 0.35 . 1 . . . . . . . . 6225 1 392 . 1 1 34 34 GLY HA3 H 1 3.500 0.02 . 2 . . . . . . . . 6225 1 393 . 1 1 34 34 GLY HA2 H 1 4.090 0.02 . 2 . . . . . . . . 6225 1 394 . 1 1 34 34 GLY C C 13 173.720 0.35 . 1 . . . . . . . . 6225 1 395 . 1 1 35 35 ASP N N 15 118.020 0.10 . 1 . . . . . . . . 6225 1 396 . 1 1 35 35 ASP H H 1 8.240 0.02 . 1 . . . . . . . . 6225 1 397 . 1 1 35 35 ASP CA C 13 54.920 0.35 . 1 . . . . . . . . 6225 1 398 . 1 1 35 35 ASP HA H 1 4.450 0.02 . 1 . . . . . . . . 6225 1 399 . 1 1 35 35 ASP CB C 13 41.160 0.35 . 1 . . . . . . . . 6225 1 400 . 1 1 35 35 ASP HB3 H 1 2.620 0.02 . 2 . . . . . . . . 6225 1 401 . 1 1 35 35 ASP HB2 H 1 2.680 0.02 . 2 . . . . . . . . 6225 1 402 . 1 1 35 35 ASP C C 13 175.310 0.35 . 1 . . . . . . . . 6225 1 403 . 1 1 36 36 LYS N N 15 120.310 0.10 . 1 . . . . . . . . 6225 1 404 . 1 1 36 36 LYS H H 1 7.750 0.02 . 1 . . . . . . . . 6225 1 405 . 1 1 36 36 LYS CA C 13 55.760 0.35 . 1 . . . . . . . . 6225 1 406 . 1 1 36 36 LYS HA H 1 4.780 0.02 . 1 . . . . . . . . 6225 1 407 . 1 1 36 36 LYS CB C 13 35.890 0.35 . 1 . . . . . . . . 6225 1 408 . 1 1 36 36 LYS HB3 H 1 1.900 0.02 . 2 . . . . . . . . 6225 1 409 . 1 1 36 36 LYS HB2 H 1 2.140 0.02 . 2 . . . . . . . . 6225 1 410 . 1 1 36 36 LYS CG C 13 25.320 0.35 . 1 . . . . . . . . 6225 1 411 . 1 1 36 36 LYS HG3 H 1 1.590 0.02 . 2 . . . . . . . . 6225 1 412 . 1 1 36 36 LYS HG2 H 1 1.700 0.02 . 2 . . . . . . . . 6225 1 413 . 1 1 36 36 LYS CD C 13 29.750 0.35 . 1 . . . . . . . . 6225 1 414 . 1 1 36 36 LYS HD3 H 1 1.950 0.02 . 1 . . . . . . . . 6225 1 415 . 1 1 36 36 LYS HD2 H 1 1.950 0.02 . 1 . . . . . . . . 6225 1 416 . 1 1 36 36 LYS CE C 13 42.490 0.35 . 1 . . . . . . . . 6225 1 417 . 1 1 36 36 LYS HE3 H 1 3.130 0.02 . 2 . . . . . . . . 6225 1 418 . 1 1 36 36 LYS HE2 H 1 3.160 0.02 . 2 . . . . . . . . 6225 1 419 . 1 1 36 36 LYS C C 13 174.500 0.35 . 1 . . . . . . . . 6225 1 420 . 1 1 37 37 VAL N N 15 121.790 0.10 . 1 . . . . . . . . 6225 1 421 . 1 1 37 37 VAL H H 1 8.520 0.02 . 1 . . . . . . . . 6225 1 422 . 1 1 37 37 VAL CA C 13 60.370 0.35 . 1 . . . . . . . . 6225 1 423 . 1 1 37 37 VAL HA H 1 5.250 0.02 . 1 . . . . . . . . 6225 1 424 . 1 1 37 37 VAL CB C 13 35.940 0.35 . 1 . . . . . . . . 6225 1 425 . 1 1 37 37 VAL HB H 1 1.990 0.02 . 1 . . . . . . . . 6225 1 426 . 1 1 37 37 VAL CG2 C 13 21.000 0.35 . 1 . . . . . . . . 6225 1 427 . 1 1 37 37 VAL HG21 H 1 0.880 0.02 . 1 . . . . . . . . 6225 1 428 . 1 1 37 37 VAL HG22 H 1 0.880 0.02 . 1 . . . . . . . . 6225 1 429 . 1 1 37 37 VAL HG23 H 1 0.880 0.02 . 1 . . . . . . . . 6225 1 430 . 1 1 37 37 VAL CG1 C 13 21.000 0.35 . 1 . . . . . . . . 6225 1 431 . 1 1 37 37 VAL HG11 H 1 0.880 0.02 . 1 . . . . . . . . 6225 1 432 . 1 1 37 37 VAL HG12 H 1 0.880 0.02 . 1 . . . . . . . . 6225 1 433 . 1 1 37 37 VAL HG13 H 1 0.880 0.02 . 1 . . . . . . . . 6225 1 434 . 1 1 37 37 VAL C C 13 175.080 0.35 . 1 . . . . . . . . 6225 1 435 . 1 1 38 38 HIS N N 15 126.440 0.10 . 1 . . . . . . . . 6225 1 436 . 1 1 38 38 HIS H H 1 9.630 0.02 . 1 . . . . . . . . 6225 1 437 . 1 1 38 38 HIS CA C 13 56.310 0.35 . 1 . . . . . . . . 6225 1 438 . 1 1 38 38 HIS HA H 1 5.000 0.02 . 1 . . . . . . . . 6225 1 439 . 1 1 38 38 HIS CB C 13 34.520 0.35 . 1 . . . . . . . . 6225 1 440 . 1 1 38 38 HIS HB3 H 1 2.720 0.02 . 1 . . . . . . . . 6225 1 441 . 1 1 38 38 HIS HB2 H 1 2.720 0.02 . 1 . . . . . . . . 6225 1 442 . 1 1 38 38 HIS CD2 C 13 116.600 0.35 . 1 . . . . . . . . 6225 1 443 . 1 1 38 38 HIS HD2 H 1 6.010 0.02 . 1 . . . . . . . . 6225 1 444 . 1 1 38 38 HIS CE1 C 13 138.700 0.35 . 1 . . . . . . . . 6225 1 445 . 1 1 38 38 HIS HE1 H 1 8.330 0.02 . 1 . . . . . . . . 6225 1 446 . 1 1 38 38 HIS C C 13 173.370 0.35 . 1 . . . . . . . . 6225 1 447 . 1 1 39 39 THR N N 15 124.230 0.10 . 1 . . . . . . . . 6225 1 448 . 1 1 39 39 THR H H 1 8.320 0.02 . 1 . . . . . . . . 6225 1 449 . 1 1 39 39 THR CA C 13 61.650 0.35 . 1 . . . . . . . . 6225 1 450 . 1 1 39 39 THR HA H 1 5.110 0.02 . 1 . . . . . . . . 6225 1 451 . 1 1 39 39 THR CB C 13 71.040 0.35 . 1 . . . . . . . . 6225 1 452 . 1 1 39 39 THR HB H 1 3.700 0.02 . 1 . . . . . . . . 6225 1 453 . 1 1 39 39 THR CG2 C 13 21.560 0.35 . 1 . . . . . . . . 6225 1 454 . 1 1 39 39 THR HG21 H 1 0.930 0.02 . 1 . . . . . . . . 6225 1 455 . 1 1 39 39 THR HG22 H 1 0.930 0.02 . 1 . . . . . . . . 6225 1 456 . 1 1 39 39 THR HG23 H 1 0.930 0.02 . 1 . . . . . . . . 6225 1 457 . 1 1 39 39 THR C C 13 173.060 0.35 . 1 . . . . . . . . 6225 1 458 . 1 1 40 40 VAL N N 15 126.010 0.10 . 1 . . . . . . . . 6225 1 459 . 1 1 40 40 VAL H H 1 9.370 0.02 . 1 . . . . . . . . 6225 1 460 . 1 1 40 40 VAL CA C 13 60.520 0.35 . 1 . . . . . . . . 6225 1 461 . 1 1 40 40 VAL HA H 1 3.850 0.02 . 1 . . . . . . . . 6225 1 462 . 1 1 40 40 VAL CB C 13 34.380 0.35 . 1 . . . . . . . . 6225 1 463 . 1 1 40 40 VAL HB H 1 1.710 0.02 . 1 . . . . . . . . 6225 1 464 . 1 1 40 40 VAL CG2 C 13 19.700 0.35 . 1 . . . . . . . . 6225 1 465 . 1 1 40 40 VAL HG21 H 1 0.220 0.02 . 1 . . . . . . . . 6225 1 466 . 1 1 40 40 VAL HG22 H 1 0.220 0.02 . 1 . . . . . . . . 6225 1 467 . 1 1 40 40 VAL HG23 H 1 0.220 0.02 . 1 . . . . . . . . 6225 1 468 . 1 1 40 40 VAL CG1 C 13 21.340 0.35 . 1 . . . . . . . . 6225 1 469 . 1 1 40 40 VAL HG11 H 1 0.350 0.02 . 1 . . . . . . . . 6225 1 470 . 1 1 40 40 VAL HG12 H 1 0.350 0.02 . 1 . . . . . . . . 6225 1 471 . 1 1 40 40 VAL HG13 H 1 0.350 0.02 . 1 . . . . . . . . 6225 1 472 . 1 1 40 40 VAL C C 13 174.690 0.35 . 1 . . . . . . . . 6225 1 473 . 1 1 41 41 VAL N N 15 129.820 0.10 . 1 . . . . . . . . 6225 1 474 . 1 1 41 41 VAL H H 1 9.040 0.02 . 1 . . . . . . . . 6225 1 475 . 1 1 41 41 VAL CA C 13 63.890 0.35 . 1 . . . . . . . . 6225 1 476 . 1 1 41 41 VAL HA H 1 3.910 0.02 . 1 . . . . . . . . 6225 1 477 . 1 1 41 41 VAL CB C 13 30.960 0.35 . 1 . . . . . . . . 6225 1 478 . 1 1 41 41 VAL HB H 1 2.010 0.02 . 1 . . . . . . . . 6225 1 479 . 1 1 41 41 VAL CG2 C 13 21.580 0.35 . 1 . . . . . . . . 6225 1 480 . 1 1 41 41 VAL HG21 H 1 0.980 0.02 . 2 . . . . . . . . 6225 1 481 . 1 1 41 41 VAL HG22 H 1 0.980 0.02 . 2 . . . . . . . . 6225 1 482 . 1 1 41 41 VAL HG23 H 1 0.980 0.02 . 2 . . . . . . . . 6225 1 483 . 1 1 41 41 VAL CG1 C 13 21.580 0.35 . 1 . . . . . . . . 6225 1 484 . 1 1 41 41 VAL HG11 H 1 0.920 0.02 . 2 . . . . . . . . 6225 1 485 . 1 1 41 41 VAL HG12 H 1 0.920 0.02 . 2 . . . . . . . . 6225 1 486 . 1 1 41 41 VAL HG13 H 1 0.920 0.02 . 2 . . . . . . . . 6225 1 487 . 1 1 41 41 VAL C C 13 179.290 0.35 . 1 . . . . . . . . 6225 1 488 . 1 1 42 42 LEU N N 15 130.200 0.10 . 1 . . . . . . . . 6225 1 489 . 1 1 42 42 LEU H H 1 9.170 0.02 . 1 . . . . . . . . 6225 1 490 . 1 1 42 42 LEU CA C 13 58.770 0.35 . 1 . . . . . . . . 6225 1 491 . 1 1 42 42 LEU HA H 1 3.890 0.02 . 1 . . . . . . . . 6225 1 492 . 1 1 42 42 LEU CB C 13 40.780 0.35 . 1 . . . . . . . . 6225 1 493 . 1 1 42 42 LEU HB3 H 1 1.420 0.02 . 2 . . . . . . . . 6225 1 494 . 1 1 42 42 LEU HB2 H 1 1.790 0.02 . 2 . . . . . . . . 6225 1 495 . 1 1 42 42 LEU CG C 13 27.610 0.35 . 1 . . . . . . . . 6225 1 496 . 1 1 42 42 LEU HG H 1 1.660 0.02 . 1 . . . . . . . . 6225 1 497 . 1 1 42 42 LEU CD1 C 13 26.680 0.35 . 2 . . . . . . . . 6225 1 498 . 1 1 42 42 LEU HD11 H 1 0.710 0.02 . 2 . . . . . . . . 6225 1 499 . 1 1 42 42 LEU HD12 H 1 0.710 0.02 . 2 . . . . . . . . 6225 1 500 . 1 1 42 42 LEU HD13 H 1 0.710 0.02 . 2 . . . . . . . . 6225 1 501 . 1 1 42 42 LEU CD2 C 13 22.780 0.35 . 2 . . . . . . . . 6225 1 502 . 1 1 42 42 LEU HD21 H 1 0.670 0.02 . 2 . . . . . . . . 6225 1 503 . 1 1 42 42 LEU HD22 H 1 0.670 0.02 . 2 . . . . . . . . 6225 1 504 . 1 1 42 42 LEU HD23 H 1 0.670 0.02 . 2 . . . . . . . . 6225 1 505 . 1 1 42 42 LEU C C 13 176.140 0.35 . 1 . . . . . . . . 6225 1 506 . 1 1 43 43 SER N N 15 109.670 0.10 . 1 . . . . . . . . 6225 1 507 . 1 1 43 43 SER H H 1 6.940 0.02 . 1 . . . . . . . . 6225 1 508 . 1 1 43 43 SER CA C 13 59.740 0.35 . 1 . . . . . . . . 6225 1 509 . 1 1 43 43 SER HA H 1 3.890 0.02 . 1 . . . . . . . . 6225 1 510 . 1 1 43 43 SER CB C 13 61.510 0.35 . 1 . . . . . . . . 6225 1 511 . 1 1 43 43 SER HB3 H 1 2.560 0.02 . 2 . . . . . . . . 6225 1 512 . 1 1 43 43 SER HB2 H 1 3.750 0.02 . 2 . . . . . . . . 6225 1 513 . 1 1 43 43 SER C C 13 175.390 0.35 . 1 . . . . . . . . 6225 1 514 . 1 1 44 44 THR N N 15 110.300 0.10 . 1 . . . . . . . . 6225 1 515 . 1 1 44 44 THR H H 1 7.630 0.02 . 1 . . . . . . . . 6225 1 516 . 1 1 44 44 THR CA C 13 62.320 0.35 . 1 . . . . . . . . 6225 1 517 . 1 1 44 44 THR HA H 1 4.480 0.02 . 1 . . . . . . . . 6225 1 518 . 1 1 44 44 THR CB C 13 70.160 0.35 . 1 . . . . . . . . 6225 1 519 . 1 1 44 44 THR HB H 1 4.620 0.02 . 1 . . . . . . . . 6225 1 520 . 1 1 44 44 THR CG2 C 13 21.130 0.35 . 1 . . . . . . . . 6225 1 521 . 1 1 44 44 THR HG21 H 1 1.190 0.02 . 1 . . . . . . . . 6225 1 522 . 1 1 44 44 THR HG22 H 1 1.190 0.02 . 1 . . . . . . . . 6225 1 523 . 1 1 44 44 THR HG23 H 1 1.190 0.02 . 1 . . . . . . . . 6225 1 524 . 1 1 44 44 THR C C 13 173.590 0.35 . 1 . . . . . . . . 6225 1 525 . 1 1 45 45 ILE N N 15 121.010 0.10 . 1 . . . . . . . . 6225 1 526 . 1 1 45 45 ILE H H 1 7.100 0.02 . 1 . . . . . . . . 6225 1 527 . 1 1 45 45 ILE CA C 13 58.120 0.35 . 1 . . . . . . . . 6225 1 528 . 1 1 45 45 ILE HA H 1 4.280 0.02 . 1 . . . . . . . . 6225 1 529 . 1 1 45 45 ILE CB C 13 36.400 0.35 . 1 . . . . . . . . 6225 1 530 . 1 1 45 45 ILE HB H 1 2.280 0.02 . 1 . . . . . . . . 6225 1 531 . 1 1 45 45 ILE CG1 C 13 27.200 0.35 . 1 . . . . . . . . 6225 1 532 . 1 1 45 45 ILE HG13 H 1 1.020 0.02 . 2 . . . . . . . . 6225 1 533 . 1 1 45 45 ILE HG12 H 1 1.690 0.02 . 2 . . . . . . . . 6225 1 534 . 1 1 45 45 ILE CD1 C 13 9.000 0.35 . 1 . . . . . . . . 6225 1 535 . 1 1 45 45 ILE HD11 H 1 0.580 0.02 . 1 . . . . . . . . 6225 1 536 . 1 1 45 45 ILE HD12 H 1 0.580 0.02 . 1 . . . . . . . . 6225 1 537 . 1 1 45 45 ILE HD13 H 1 0.580 0.02 . 1 . . . . . . . . 6225 1 538 . 1 1 45 45 ILE CG2 C 13 19.060 0.35 . 1 . . . . . . . . 6225 1 539 . 1 1 45 45 ILE HG21 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 540 . 1 1 45 45 ILE HG22 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 541 . 1 1 45 45 ILE HG23 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 542 . 1 1 45 45 ILE C C 13 173.670 0.35 . 1 . . . . . . . . 6225 1 543 . 1 1 46 46 ASP N N 15 126.400 0.10 . 1 . . . . . . . . 6225 1 544 . 1 1 46 46 ASP H H 1 9.320 0.02 . 1 . . . . . . . . 6225 1 545 . 1 1 46 46 ASP CA C 13 54.960 0.35 . 1 . . . . . . . . 6225 1 546 . 1 1 46 46 ASP HA H 1 4.620 0.02 . 1 . . . . . . . . 6225 1 547 . 1 1 46 46 ASP CB C 13 44.810 0.35 . 1 . . . . . . . . 6225 1 548 . 1 1 46 46 ASP HB3 H 1 2.420 0.02 . 2 . . . . . . . . 6225 1 549 . 1 1 46 46 ASP HB2 H 1 2.510 0.02 . 2 . . . . . . . . 6225 1 550 . 1 1 46 46 ASP C C 13 175.480 0.35 . 1 . . . . . . . . 6225 1 551 . 1 1 47 47 LYS N N 15 112.750 0.10 . 1 . . . . . . . . 6225 1 552 . 1 1 47 47 LYS H H 1 7.600 0.02 . 1 . . . . . . . . 6225 1 553 . 1 1 47 47 LYS CA C 13 54.780 0.35 . 1 . . . . . . . . 6225 1 554 . 1 1 47 47 LYS HA H 1 4.700 0.02 . 1 . . . . . . . . 6225 1 555 . 1 1 47 47 LYS CB C 13 36.510 0.35 . 1 . . . . . . . . 6225 1 556 . 1 1 47 47 LYS HB3 H 1 1.690 0.02 . 2 . . . . . . . . 6225 1 557 . 1 1 47 47 LYS HB2 H 1 1.850 0.02 . 2 . . . . . . . . 6225 1 558 . 1 1 47 47 LYS CG C 13 24.330 0.35 . 1 . . . . . . . . 6225 1 559 . 1 1 47 47 LYS HG3 H 1 1.240 0.02 . 2 . . . . . . . . 6225 1 560 . 1 1 47 47 LYS HG2 H 1 1.320 0.02 . 2 . . . . . . . . 6225 1 561 . 1 1 47 47 LYS CD C 13 29.470 0.35 . 1 . . . . . . . . 6225 1 562 . 1 1 47 47 LYS HD3 H 1 1.630 0.02 . 1 . . . . . . . . 6225 1 563 . 1 1 47 47 LYS HD2 H 1 1.630 0.02 . 1 . . . . . . . . 6225 1 564 . 1 1 47 47 LYS CE C 13 42.120 0.35 . 1 . . . . . . . . 6225 1 565 . 1 1 47 47 LYS HE3 H 1 2.920 0.02 . 1 . . . . . . . . 6225 1 566 . 1 1 47 47 LYS HE2 H 1 2.920 0.02 . 1 . . . . . . . . 6225 1 567 . 1 1 47 47 LYS C C 13 172.770 0.35 . 1 . . . . . . . . 6225 1 568 . 1 1 48 48 LEU N N 15 122.000 0.10 . 1 . . . . . . . . 6225 1 569 . 1 1 48 48 LEU H H 1 8.690 0.02 . 1 . . . . . . . . 6225 1 570 . 1 1 48 48 LEU CA C 13 53.290 0.35 . 1 . . . . . . . . 6225 1 571 . 1 1 48 48 LEU HA H 1 5.250 0.02 . 1 . . . . . . . . 6225 1 572 . 1 1 48 48 LEU CB C 13 45.160 0.35 . 1 . . . . . . . . 6225 1 573 . 1 1 48 48 LEU HB3 H 1 1.420 0.02 . 2 . . . . . . . . 6225 1 574 . 1 1 48 48 LEU HB2 H 1 1.590 0.02 . 2 . . . . . . . . 6225 1 575 . 1 1 48 48 LEU CG C 13 27.000 0.35 . 1 . . . . . . . . 6225 1 576 . 1 1 48 48 LEU HG H 1 1.380 0.02 . 1 . . . . . . . . 6225 1 577 . 1 1 48 48 LEU CD1 C 13 27.000 0.35 . 1 . . . . . . . . 6225 1 578 . 1 1 48 48 LEU HD11 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 579 . 1 1 48 48 LEU HD12 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 580 . 1 1 48 48 LEU HD13 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 581 . 1 1 48 48 LEU CD2 C 13 27.000 0.35 . 1 . . . . . . . . 6225 1 582 . 1 1 48 48 LEU HD21 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 583 . 1 1 48 48 LEU HD22 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 584 . 1 1 48 48 LEU HD23 H 1 0.870 0.02 . 1 . . . . . . . . 6225 1 585 . 1 1 48 48 LEU C C 13 175.880 0.35 . 1 . . . . . . . . 6225 1 586 . 1 1 49 49 GLN N N 15 123.730 0.10 . 1 . . . . . . . . 6225 1 587 . 1 1 49 49 GLN H H 1 9.250 0.02 . 1 . . . . . . . . 6225 1 588 . 1 1 49 49 GLN CA C 13 54.540 0.35 . 1 . . . . . . . . 6225 1 589 . 1 1 49 49 GLN HA H 1 4.750 0.02 . 1 . . . . . . . . 6225 1 590 . 1 1 49 49 GLN CB C 13 31.940 0.35 . 1 . . . . . . . . 6225 1 591 . 1 1 49 49 GLN HB3 H 1 1.930 0.02 . 2 . . . . . . . . 6225 1 592 . 1 1 49 49 GLN HB2 H 1 2.030 0.02 . 2 . . . . . . . . 6225 1 593 . 1 1 49 49 GLN CG C 13 33.700 0.35 . 1 . . . . . . . . 6225 1 594 . 1 1 49 49 GLN HG3 H 1 2.190 0.02 . 2 . . . . . . . . 6225 1 595 . 1 1 49 49 GLN HG2 H 1 2.330 0.02 . 2 . . . . . . . . 6225 1 596 . 1 1 49 49 GLN CD C 13 179.600 0.35 . 1 . . . . . . . . 6225 1 597 . 1 1 49 49 GLN NE2 N 15 111.500 0.10 . 1 . . . . . . . . 6225 1 598 . 1 1 49 49 GLN HE21 H 1 7.530 0.02 . 2 . . . . . . . . 6225 1 599 . 1 1 49 49 GLN HE22 H 1 6.850 0.02 . 2 . . . . . . . . 6225 1 600 . 1 1 49 49 GLN C C 13 173.950 0.35 . 1 . . . . . . . . 6225 1 601 . 1 1 50 50 ALA N N 15 127.480 0.10 . 1 . . . . . . . . 6225 1 602 . 1 1 50 50 ALA H H 1 8.900 0.02 . 1 . . . . . . . . 6225 1 603 . 1 1 50 50 ALA CA C 13 50.160 0.35 . 1 . . . . . . . . 6225 1 604 . 1 1 50 50 ALA HA H 1 5.460 0.02 . 1 . . . . . . . . 6225 1 605 . 1 1 50 50 ALA CB C 13 22.800 0.35 . 1 . . . . . . . . 6225 1 606 . 1 1 50 50 ALA HB1 H 1 1.290 0.02 . 1 . . . . . . . . 6225 1 607 . 1 1 50 50 ALA HB2 H 1 1.290 0.02 . 1 . . . . . . . . 6225 1 608 . 1 1 50 50 ALA HB3 H 1 1.290 0.02 . 1 . . . . . . . . 6225 1 609 . 1 1 50 50 ALA C C 13 177.390 0.35 . 1 . . . . . . . . 6225 1 610 . 1 1 51 51 THR N N 15 114.090 0.10 . 1 . . . . . . . . 6225 1 611 . 1 1 51 51 THR H H 1 8.190 0.02 . 1 . . . . . . . . 6225 1 612 . 1 1 51 51 THR CA C 13 59.670 0.35 . 1 . . . . . . . . 6225 1 613 . 1 1 51 51 THR HA H 1 4.500 0.02 . 1 . . . . . . . . 6225 1 614 . 1 1 51 51 THR CB C 13 68.260 0.35 . 1 . . . . . . . . 6225 1 615 . 1 1 51 51 THR HB H 1 4.430 0.02 . 1 . . . . . . . . 6225 1 616 . 1 1 51 51 THR CG2 C 13 24.090 0.35 . 1 . . . . . . . . 6225 1 617 . 1 1 51 51 THR HG21 H 1 1.430 0.02 . 1 . . . . . . . . 6225 1 618 . 1 1 51 51 THR HG22 H 1 1.430 0.02 . 1 . . . . . . . . 6225 1 619 . 1 1 51 51 THR HG23 H 1 1.430 0.02 . 1 . . . . . . . . 6225 1 620 . 1 1 52 52 PRO CA C 13 62.500 0.35 . 1 . . . . . . . . 6225 1 621 . 1 1 52 52 PRO HA H 1 4.630 0.02 . 1 . . . . . . . . 6225 1 622 . 1 1 52 52 PRO CB C 13 32.640 0.35 . 1 . . . . . . . . 6225 1 623 . 1 1 52 52 PRO HB3 H 1 2.420 0.02 . 2 . . . . . . . . 6225 1 624 . 1 1 52 52 PRO HB2 H 1 2.110 0.02 . 2 . . . . . . . . 6225 1 625 . 1 1 52 52 PRO CG C 13 27.480 0.35 . 1 . . . . . . . . 6225 1 626 . 1 1 52 52 PRO HG3 H 1 2.130 0.02 . 2 . . . . . . . . 6225 1 627 . 1 1 52 52 PRO HG2 H 1 2.000 0.02 . 2 . . . . . . . . 6225 1 628 . 1 1 52 52 PRO CD C 13 50.120 0.35 . 1 . . . . . . . . 6225 1 629 . 1 1 52 52 PRO HD3 H 1 3.840 0.02 . 2 . . . . . . . . 6225 1 630 . 1 1 52 52 PRO HD2 H 1 3.640 0.02 . 2 . . . . . . . . 6225 1 631 . 1 1 53 53 ALA CA C 13 54.900 0.35 . 1 . . . . . . . . 6225 1 632 . 1 1 53 53 ALA HA H 1 4.030 0.02 . 1 . . . . . . . . 6225 1 633 . 1 1 53 53 ALA CB C 13 18.100 0.35 . 1 . . . . . . . . 6225 1 634 . 1 1 53 53 ALA HB1 H 1 1.410 0.02 . 1 . . . . . . . . 6225 1 635 . 1 1 53 53 ALA HB2 H 1 1.410 0.02 . 1 . . . . . . . . 6225 1 636 . 1 1 53 53 ALA HB3 H 1 1.410 0.02 . 1 . . . . . . . . 6225 1 637 . 1 1 53 53 ALA C C 13 177.480 0.35 . 1 . . . . . . . . 6225 1 638 . 1 1 54 54 SER N N 15 107.740 0.10 . 1 . . . . . . . . 6225 1 639 . 1 1 54 54 SER H H 1 7.630 0.02 . 1 . . . . . . . . 6225 1 640 . 1 1 54 54 SER CA C 13 58.260 0.35 . 1 . . . . . . . . 6225 1 641 . 1 1 54 54 SER HA H 1 4.230 0.02 . 1 . . . . . . . . 6225 1 642 . 1 1 54 54 SER CB C 13 63.120 0.35 . 1 . . . . . . . . 6225 1 643 . 1 1 54 54 SER HB3 H 1 3.800 0.02 . 2 . . . . . . . . 6225 1 644 . 1 1 54 54 SER HB2 H 1 4.050 0.02 . 2 . . . . . . . . 6225 1 645 . 1 1 54 54 SER C C 13 174.760 0.35 . 1 . . . . . . . . 6225 1 646 . 1 1 55 55 SER N N 15 117.050 0.10 . 1 . . . . . . . . 6225 1 647 . 1 1 55 55 SER H H 1 7.660 0.02 . 1 . . . . . . . . 6225 1 648 . 1 1 55 55 SER CA C 13 57.660 0.35 . 1 . . . . . . . . 6225 1 649 . 1 1 55 55 SER HA H 1 4.520 0.02 . 1 . . . . . . . . 6225 1 650 . 1 1 55 55 SER CB C 13 64.250 0.35 . 1 . . . . . . . . 6225 1 651 . 1 1 55 55 SER HB3 H 1 3.900 0.02 . 2 . . . . . . . . 6225 1 652 . 1 1 55 55 SER HB2 H 1 4.000 0.02 . 2 . . . . . . . . 6225 1 653 . 1 1 55 55 SER C C 13 174.750 0.35 . 1 . . . . . . . . 6225 1 654 . 1 1 56 56 GLU N N 15 125.670 0.10 . 1 . . . . . . . . 6225 1 655 . 1 1 56 56 GLU H H 1 8.920 0.02 . 1 . . . . . . . . 6225 1 656 . 1 1 56 56 GLU CA C 13 58.160 0.35 . 1 . . . . . . . . 6225 1 657 . 1 1 56 56 GLU HA H 1 4.130 0.02 . 1 . . . . . . . . 6225 1 658 . 1 1 56 56 GLU CB C 13 29.580 0.35 . 1 . . . . . . . . 6225 1 659 . 1 1 56 56 GLU HB3 H 1 2.040 0.02 . 2 . . . . . . . . 6225 1 660 . 1 1 56 56 GLU HB2 H 1 2.100 0.02 . 2 . . . . . . . . 6225 1 661 . 1 1 56 56 GLU CG C 13 36.390 0.35 . 1 . . . . . . . . 6225 1 662 . 1 1 56 56 GLU HG3 H 1 2.240 0.02 . 2 . . . . . . . . 6225 1 663 . 1 1 56 56 GLU HG2 H 1 2.340 0.02 . 2 . . . . . . . . 6225 1 664 . 1 1 56 56 GLU C C 13 177.300 0.35 . 1 . . . . . . . . 6225 1 665 . 1 1 57 57 LYS N N 15 118.950 0.10 . 1 . . . . . . . . 6225 1 666 . 1 1 57 57 LYS H H 1 7.970 0.02 . 1 . . . . . . . . 6225 1 667 . 1 1 57 57 LYS CA C 13 55.840 0.35 . 1 . . . . . . . . 6225 1 668 . 1 1 57 57 LYS HA H 1 4.290 0.02 . 1 . . . . . . . . 6225 1 669 . 1 1 57 57 LYS CB C 13 33.420 0.35 . 1 . . . . . . . . 6225 1 670 . 1 1 57 57 LYS HB3 H 1 1.710 0.02 . 2 . . . . . . . . 6225 1 671 . 1 1 57 57 LYS HB2 H 1 1.760 0.02 . 2 . . . . . . . . 6225 1 672 . 1 1 57 57 LYS CG C 13 25.200 0.35 . 1 . . . . . . . . 6225 1 673 . 1 1 57 57 LYS HG3 H 1 1.370 0.02 . 2 . . . . . . . . 6225 1 674 . 1 1 57 57 LYS HG2 H 1 1.460 0.02 . 2 . . . . . . . . 6225 1 675 . 1 1 57 57 LYS CD C 13 29.120 0.35 . 1 . . . . . . . . 6225 1 676 . 1 1 57 57 LYS HD3 H 1 1.650 0.02 . 1 . . . . . . . . 6225 1 677 . 1 1 57 57 LYS HD2 H 1 1.650 0.02 . 1 . . . . . . . . 6225 1 678 . 1 1 57 57 LYS CE C 13 42.180 0.35 . 1 . . . . . . . . 6225 1 679 . 1 1 57 57 LYS HE3 H 1 2.930 0.02 . 1 . . . . . . . . 6225 1 680 . 1 1 57 57 LYS HE2 H 1 2.930 0.02 . 1 . . . . . . . . 6225 1 681 . 1 1 57 57 LYS C C 13 175.860 0.35 . 1 . . . . . . . . 6225 1 682 . 1 1 58 58 MET N N 15 124.750 0.10 . 1 . . . . . . . . 6225 1 683 . 1 1 58 58 MET H H 1 8.820 0.02 . 1 . . . . . . . . 6225 1 684 . 1 1 58 58 MET CA C 13 55.390 0.35 . 1 . . . . . . . . 6225 1 685 . 1 1 58 58 MET HA H 1 4.310 0.02 . 1 . . . . . . . . 6225 1 686 . 1 1 58 58 MET CB C 13 35.020 0.35 . 1 . . . . . . . . 6225 1 687 . 1 1 58 58 MET HB3 H 1 2.130 0.02 . 2 . . . . . . . . 6225 1 688 . 1 1 58 58 MET HB2 H 1 2.400 0.02 . 2 . . . . . . . . 6225 1 689 . 1 1 58 58 MET CG C 13 32.400 0.35 . 1 . . . . . . . . 6225 1 690 . 1 1 58 58 MET HG3 H 1 2.330 0.02 . 1 . . . . . . . . 6225 1 691 . 1 1 58 58 MET HG2 H 1 2.330 0.02 . 1 . . . . . . . . 6225 1 692 . 1 1 58 58 MET CE C 13 18.800 0.35 . 5 . . . . . . . . 6225 1 693 . 1 1 58 58 MET HE1 H 1 2.050 0.02 . 5 . . . . . . . . 6225 1 694 . 1 1 58 58 MET HE2 H 1 2.050 0.02 . 5 . . . . . . . . 6225 1 695 . 1 1 58 58 MET HE3 H 1 2.050 0.02 . 5 . . . . . . . . 6225 1 696 . 1 1 58 58 MET C C 13 174.030 0.35 . 1 . . . . . . . . 6225 1 697 . 1 1 59 59 MET N N 15 122.570 0.10 . 1 . . . . . . . . 6225 1 698 . 1 1 59 59 MET H H 1 8.400 0.02 . 1 . . . . . . . . 6225 1 699 . 1 1 59 59 MET CA C 13 55.050 0.35 . 1 . . . . . . . . 6225 1 700 . 1 1 59 59 MET HA H 1 5.590 0.02 . 1 . . . . . . . . 6225 1 701 . 1 1 59 59 MET CB C 13 37.540 0.35 . 1 . . . . . . . . 6225 1 702 . 1 1 59 59 MET HB3 H 1 1.930 0.02 . 2 . . . . . . . . 6225 1 703 . 1 1 59 59 MET HB2 H 1 1.990 0.02 . 2 . . . . . . . . 6225 1 704 . 1 1 59 59 MET CG C 13 31.900 0.35 . 1 . . . . . . . . 6225 1 705 . 1 1 59 59 MET HG3 H 1 2.380 0.02 . 2 . . . . . . . . 6225 1 706 . 1 1 59 59 MET HG2 H 1 2.540 0.02 . 2 . . . . . . . . 6225 1 707 . 1 1 59 59 MET CE C 13 17.360 0.35 . 1 . . . . . . . . 6225 1 708 . 1 1 59 59 MET HE1 H 1 1.930 0.02 . 1 . . . . . . . . 6225 1 709 . 1 1 59 59 MET HE2 H 1 1.930 0.02 . 1 . . . . . . . . 6225 1 710 . 1 1 59 59 MET HE3 H 1 1.930 0.02 . 1 . . . . . . . . 6225 1 711 . 1 1 59 59 MET C C 13 174.140 0.35 . 1 . . . . . . . . 6225 1 712 . 1 1 60 60 LEU N N 15 121.620 0.10 . 1 . . . . . . . . 6225 1 713 . 1 1 60 60 LEU H H 1 9.140 0.02 . 1 . . . . . . . . 6225 1 714 . 1 1 60 60 LEU CA C 13 53.450 0.35 . 1 . . . . . . . . 6225 1 715 . 1 1 60 60 LEU HA H 1 5.270 0.02 . 1 . . . . . . . . 6225 1 716 . 1 1 60 60 LEU CB C 13 46.980 0.35 . 1 . . . . . . . . 6225 1 717 . 1 1 60 60 LEU HB3 H 1 1.700 0.02 . 2 . . . . . . . . 6225 1 718 . 1 1 60 60 LEU HB2 H 1 1.750 0.02 . 2 . . . . . . . . 6225 1 719 . 1 1 60 60 LEU CG C 13 26.740 0.35 . 1 . . . . . . . . 6225 1 720 . 1 1 60 60 LEU HG H 1 1.720 0.02 . 1 . . . . . . . . 6225 1 721 . 1 1 60 60 LEU CD1 C 13 25.060 0.35 . 2 . . . . . . . . 6225 1 722 . 1 1 60 60 LEU HD11 H 1 0.920 0.02 . 2 . . . . . . . . 6225 1 723 . 1 1 60 60 LEU HD12 H 1 0.920 0.02 . 2 . . . . . . . . 6225 1 724 . 1 1 60 60 LEU HD13 H 1 0.920 0.02 . 2 . . . . . . . . 6225 1 725 . 1 1 60 60 LEU CD2 C 13 25.290 0.35 . 2 . . . . . . . . 6225 1 726 . 1 1 60 60 LEU HD21 H 1 0.840 0.02 . 2 . . . . . . . . 6225 1 727 . 1 1 60 60 LEU HD22 H 1 0.840 0.02 . 2 . . . . . . . . 6225 1 728 . 1 1 60 60 LEU HD23 H 1 0.840 0.02 . 2 . . . . . . . . 6225 1 729 . 1 1 60 60 LEU C C 13 174.920 0.35 . 1 . . . . . . . . 6225 1 730 . 1 1 61 61 ARG N N 15 122.320 0.10 . 1 . . . . . . . . 6225 1 731 . 1 1 61 61 ARG H H 1 9.260 0.02 . 1 . . . . . . . . 6225 1 732 . 1 1 61 61 ARG CA C 13 54.460 0.35 . 1 . . . . . . . . 6225 1 733 . 1 1 61 61 ARG HA H 1 5.390 0.02 . 1 . . . . . . . . 6225 1 734 . 1 1 61 61 ARG CB C 13 33.560 0.35 . 1 . . . . . . . . 6225 1 735 . 1 1 61 61 ARG HB3 H 1 1.670 0.02 . 2 . . . . . . . . 6225 1 736 . 1 1 61 61 ARG HB2 H 1 1.750 0.02 . 2 . . . . . . . . 6225 1 737 . 1 1 61 61 ARG CG C 13 28.130 0.35 . 1 . . . . . . . . 6225 1 738 . 1 1 61 61 ARG HG3 H 1 1.360 0.02 . 2 . . . . . . . . 6225 1 739 . 1 1 61 61 ARG HG2 H 1 1.510 0.02 . 2 . . . . . . . . 6225 1 740 . 1 1 61 61 ARG CD C 13 43.800 0.35 . 1 . . . . . . . . 6225 1 741 . 1 1 61 61 ARG HD3 H 1 3.070 0.02 . 2 . . . . . . . . 6225 1 742 . 1 1 61 61 ARG HD2 H 1 3.140 0.02 . 2 . . . . . . . . 6225 1 743 . 1 1 61 61 ARG C C 13 174.500 0.35 . 1 . . . . . . . . 6225 1 744 . 1 1 62 62 LEU N N 15 125.860 0.10 . 1 . . . . . . . . 6225 1 745 . 1 1 62 62 LEU H H 1 9.330 0.02 . 1 . . . . . . . . 6225 1 746 . 1 1 62 62 LEU CA C 13 54.860 0.35 . 1 . . . . . . . . 6225 1 747 . 1 1 62 62 LEU HA H 1 4.970 0.02 . 1 . . . . . . . . 6225 1 748 . 1 1 62 62 LEU CB C 13 42.730 0.35 . 1 . . . . . . . . 6225 1 749 . 1 1 62 62 LEU HB3 H 1 1.660 0.02 . 2 . . . . . . . . 6225 1 750 . 1 1 62 62 LEU HB2 H 1 1.980 0.02 . 2 . . . . . . . . 6225 1 751 . 1 1 62 62 LEU CG C 13 29.060 0.35 . 1 . . . . . . . . 6225 1 752 . 1 1 62 62 LEU HG H 1 1.800 0.02 . 1 . . . . . . . . 6225 1 753 . 1 1 62 62 LEU CD1 C 13 26.730 0.35 . 2 . . . . . . . . 6225 1 754 . 1 1 62 62 LEU HD11 H 1 0.880 0.02 . 2 . . . . . . . . 6225 1 755 . 1 1 62 62 LEU HD12 H 1 0.880 0.02 . 2 . . . . . . . . 6225 1 756 . 1 1 62 62 LEU HD13 H 1 0.880 0.02 . 2 . . . . . . . . 6225 1 757 . 1 1 62 62 LEU CD2 C 13 25.310 0.35 . 2 . . . . . . . . 6225 1 758 . 1 1 62 62 LEU HD21 H 1 0.980 0.02 . 2 . . . . . . . . 6225 1 759 . 1 1 62 62 LEU HD22 H 1 0.980 0.02 . 2 . . . . . . . . 6225 1 760 . 1 1 62 62 LEU HD23 H 1 0.980 0.02 . 2 . . . . . . . . 6225 1 761 . 1 1 62 62 LEU C C 13 175.270 0.35 . 1 . . . . . . . . 6225 1 762 . 1 1 63 63 ILE N N 15 124.200 0.10 . 1 . . . . . . . . 6225 1 763 . 1 1 63 63 ILE H H 1 8.950 0.02 . 1 . . . . . . . . 6225 1 764 . 1 1 63 63 ILE CA C 13 60.260 0.35 . 1 . . . . . . . . 6225 1 765 . 1 1 63 63 ILE HA H 1 4.540 0.02 . 1 . . . . . . . . 6225 1 766 . 1 1 63 63 ILE CB C 13 38.560 0.35 . 1 . . . . . . . . 6225 1 767 . 1 1 63 63 ILE HB H 1 1.910 0.02 . 1 . . . . . . . . 6225 1 768 . 1 1 63 63 ILE CG1 C 13 27.600 0.35 . 1 . . . . . . . . 6225 1 769 . 1 1 63 63 ILE HG13 H 1 1.120 0.02 . 2 . . . . . . . . 6225 1 770 . 1 1 63 63 ILE HG12 H 1 1.340 0.02 . 2 . . . . . . . . 6225 1 771 . 1 1 63 63 ILE CD1 C 13 12.500 0.35 . 1 . . . . . . . . 6225 1 772 . 1 1 63 63 ILE HD11 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 773 . 1 1 63 63 ILE HD12 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 774 . 1 1 63 63 ILE HD13 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 775 . 1 1 63 63 ILE CG2 C 13 17.780 0.35 . 1 . . . . . . . . 6225 1 776 . 1 1 63 63 ILE HG21 H 1 1.040 0.02 . 1 . . . . . . . . 6225 1 777 . 1 1 63 63 ILE HG22 H 1 1.040 0.02 . 1 . . . . . . . . 6225 1 778 . 1 1 63 63 ILE HG23 H 1 1.040 0.02 . 1 . . . . . . . . 6225 1 779 . 1 1 63 63 ILE C C 13 176.230 0.35 . 1 . . . . . . . . 6225 1 780 . 1 1 64 64 GLY N N 15 115.650 0.10 . 1 . . . . . . . . 6225 1 781 . 1 1 64 64 GLY H H 1 9.310 0.02 . 1 . . . . . . . . 6225 1 782 . 1 1 64 64 GLY CA C 13 45.330 0.35 . 1 . . . . . . . . 6225 1 783 . 1 1 64 64 GLY HA3 H 1 4.030 0.02 . 2 . . . . . . . . 6225 1 784 . 1 1 64 64 GLY HA2 H 1 4.680 0.02 . 2 . . . . . . . . 6225 1 785 . 1 1 64 64 GLY C C 13 172.450 0.35 . 1 . . . . . . . . 6225 1 786 . 1 1 65 65 LYS N N 15 119.470 0.10 . 1 . . . . . . . . 6225 1 787 . 1 1 65 65 LYS H H 1 8.330 0.02 . 1 . . . . . . . . 6225 1 788 . 1 1 65 65 LYS CA C 13 56.770 0.35 . 1 . . . . . . . . 6225 1 789 . 1 1 65 65 LYS HA H 1 4.250 0.02 . 1 . . . . . . . . 6225 1 790 . 1 1 65 65 LYS CB C 13 34.470 0.35 . 1 . . . . . . . . 6225 1 791 . 1 1 65 65 LYS HB3 H 1 1.560 0.02 . 2 . . . . . . . . 6225 1 792 . 1 1 65 65 LYS HB2 H 1 1.860 0.02 . 2 . . . . . . . . 6225 1 793 . 1 1 65 65 LYS CG C 13 26.320 0.35 . 1 . . . . . . . . 6225 1 794 . 1 1 65 65 LYS HG3 H 1 1.190 0.02 . 2 . . . . . . . . 6225 1 795 . 1 1 65 65 LYS HG2 H 1 1.380 0.02 . 2 . . . . . . . . 6225 1 796 . 1 1 65 65 LYS CD C 13 29.880 0.35 . 1 . . . . . . . . 6225 1 797 . 1 1 65 65 LYS HD3 H 1 1.600 0.02 . 2 . . . . . . . . 6225 1 798 . 1 1 65 65 LYS HD2 H 1 1.690 0.02 . 2 . . . . . . . . 6225 1 799 . 1 1 65 65 LYS CE C 13 42.630 0.35 . 1 . . . . . . . . 6225 1 800 . 1 1 65 65 LYS HE3 H 1 2.820 0.02 . 2 . . . . . . . . 6225 1 801 . 1 1 65 65 LYS HE2 H 1 2.920 0.02 . 2 . . . . . . . . 6225 1 802 . 1 1 65 65 LYS C C 13 177.310 0.35 . 1 . . . . . . . . 6225 1 803 . 1 1 66 66 VAL N N 15 122.000 0.10 . 1 . . . . . . . . 6225 1 804 . 1 1 66 66 VAL H H 1 8.610 0.02 . 1 . . . . . . . . 6225 1 805 . 1 1 66 66 VAL CA C 13 62.070 0.35 . 1 . . . . . . . . 6225 1 806 . 1 1 66 66 VAL HA H 1 4.100 0.02 . 1 . . . . . . . . 6225 1 807 . 1 1 66 66 VAL CB C 13 33.280 0.35 . 1 . . . . . . . . 6225 1 808 . 1 1 66 66 VAL HB H 1 1.960 0.02 . 1 . . . . . . . . 6225 1 809 . 1 1 66 66 VAL CG2 C 13 21.240 0.35 . 2 . . . . . . . . 6225 1 810 . 1 1 66 66 VAL HG21 H 1 0.880 0.02 . 2 . . . . . . . . 6225 1 811 . 1 1 66 66 VAL HG22 H 1 0.880 0.02 . 2 . . . . . . . . 6225 1 812 . 1 1 66 66 VAL HG23 H 1 0.880 0.02 . 2 . . . . . . . . 6225 1 813 . 1 1 66 66 VAL CG1 C 13 21.560 0.35 . 2 . . . . . . . . 6225 1 814 . 1 1 66 66 VAL HG11 H 1 0.820 0.02 . 2 . . . . . . . . 6225 1 815 . 1 1 66 66 VAL HG12 H 1 0.820 0.02 . 2 . . . . . . . . 6225 1 816 . 1 1 66 66 VAL HG13 H 1 0.820 0.02 . 2 . . . . . . . . 6225 1 817 . 1 1 67 67 ASP CA C 13 53.140 0.35 . 1 . . . . . . . . 6225 1 818 . 1 1 67 67 ASP HA H 1 4.670 0.02 . 1 . . . . . . . . 6225 1 819 . 1 1 67 67 ASP CB C 13 40.930 0.35 . 1 . . . . . . . . 6225 1 820 . 1 1 67 67 ASP HB3 H 1 2.540 0.02 . 2 . . . . . . . . 6225 1 821 . 1 1 67 67 ASP HB2 H 1 2.790 0.02 . 2 . . . . . . . . 6225 1 822 . 1 1 67 67 ASP C C 13 176.530 0.35 . 1 . . . . . . . . 6225 1 823 . 1 1 68 68 GLU N N 15 124.420 0.10 . 1 . . . . . . . . 6225 1 824 . 1 1 68 68 GLU H H 1 8.730 0.02 . 1 . . . . . . . . 6225 1 825 . 1 1 68 68 GLU CA C 13 57.610 0.35 . 1 . . . . . . . . 6225 1 826 . 1 1 68 68 GLU HA H 1 4.110 0.02 . 1 . . . . . . . . 6225 1 827 . 1 1 68 68 GLU CB C 13 29.740 0.35 . 1 . . . . . . . . 6225 1 828 . 1 1 68 68 GLU HB3 H 1 1.920 0.02 . 2 . . . . . . . . 6225 1 829 . 1 1 68 68 GLU HB2 H 1 2.150 0.02 . 2 . . . . . . . . 6225 1 830 . 1 1 68 68 GLU CG C 13 36.810 0.35 . 1 . . . . . . . . 6225 1 831 . 1 1 68 68 GLU HG3 H 1 2.160 0.02 . 2 . . . . . . . . 6225 1 832 . 1 1 68 68 GLU HG2 H 1 2.310 0.02 . 2 . . . . . . . . 6225 1 833 . 1 1 68 68 GLU C C 13 177.350 0.35 . 1 . . . . . . . . 6225 1 834 . 1 1 69 69 SER N N 15 115.820 0.10 . 1 . . . . . . . . 6225 1 835 . 1 1 69 69 SER H H 1 8.470 0.02 . 1 . . . . . . . . 6225 1 836 . 1 1 69 69 SER CA C 13 60.370 0.35 . 1 . . . . . . . . 6225 1 837 . 1 1 69 69 SER HA H 1 4.280 0.02 . 1 . . . . . . . . 6225 1 838 . 1 1 69 69 SER CB C 13 63.470 0.35 . 1 . . . . . . . . 6225 1 839 . 1 1 69 69 SER HB3 H 1 3.930 0.02 . 1 . . . . . . . . 6225 1 840 . 1 1 69 69 SER HB2 H 1 3.930 0.02 . 1 . . . . . . . . 6225 1 841 . 1 1 69 69 SER C C 13 175.160 0.35 . 1 . . . . . . . . 6225 1 842 . 1 1 70 70 LYS N N 15 121.850 0.10 . 1 . . . . . . . . 6225 1 843 . 1 1 70 70 LYS H H 1 7.690 0.02 . 1 . . . . . . . . 6225 1 844 . 1 1 70 70 LYS CA C 13 55.490 0.35 . 1 . . . . . . . . 6225 1 845 . 1 1 70 70 LYS HA H 1 4.380 0.02 . 1 . . . . . . . . 6225 1 846 . 1 1 70 70 LYS CB C 13 32.590 0.35 . 1 . . . . . . . . 6225 1 847 . 1 1 70 70 LYS HB3 H 1 1.880 0.02 . 1 . . . . . . . . 6225 1 848 . 1 1 70 70 LYS HB2 H 1 1.880 0.02 . 1 . . . . . . . . 6225 1 849 . 1 1 70 70 LYS CG C 13 24.900 0.35 . 1 . . . . . . . . 6225 1 850 . 1 1 70 70 LYS HG3 H 1 1.340 0.02 . 2 . . . . . . . . 6225 1 851 . 1 1 70 70 LYS HG2 H 1 1.420 0.02 . 2 . . . . . . . . 6225 1 852 . 1 1 70 70 LYS CD C 13 29.000 0.35 . 1 . . . . . . . . 6225 1 853 . 1 1 70 70 LYS HD3 H 1 1.630 0.02 . 1 . . . . . . . . 6225 1 854 . 1 1 70 70 LYS HD2 H 1 1.630 0.02 . 1 . . . . . . . . 6225 1 855 . 1 1 70 70 LYS CE C 13 42.300 0.35 . 1 . . . . . . . . 6225 1 856 . 1 1 70 70 LYS HE3 H 1 2.960 0.02 . 1 . . . . . . . . 6225 1 857 . 1 1 70 70 LYS HE2 H 1 2.960 0.02 . 1 . . . . . . . . 6225 1 858 . 1 1 70 70 LYS C C 13 176.040 0.35 . 1 . . . . . . . . 6225 1 859 . 1 1 71 71 LYS N N 15 121.280 0.10 . 1 . . . . . . . . 6225 1 860 . 1 1 71 71 LYS H H 1 7.800 0.02 . 1 . . . . . . . . 6225 1 861 . 1 1 71 71 LYS CA C 13 56.620 0.35 . 1 . . . . . . . . 6225 1 862 . 1 1 71 71 LYS HA H 1 4.360 0.02 . 1 . . . . . . . . 6225 1 863 . 1 1 71 71 LYS CB C 13 33.050 0.35 . 1 . . . . . . . . 6225 1 864 . 1 1 71 71 LYS HB3 H 1 1.740 0.02 . 1 . . . . . . . . 6225 1 865 . 1 1 71 71 LYS HB2 H 1 1.740 0.02 . 1 . . . . . . . . 6225 1 866 . 1 1 71 71 LYS CG C 13 24.980 0.35 . 1 . . . . . . . . 6225 1 867 . 1 1 71 71 LYS HG3 H 1 1.380 0.02 . 1 . . . . . . . . 6225 1 868 . 1 1 71 71 LYS HG2 H 1 1.380 0.02 . 1 . . . . . . . . 6225 1 869 . 1 1 71 71 LYS CD C 13 29.490 0.35 . 1 . . . . . . . . 6225 1 870 . 1 1 71 71 LYS HD3 H 1 1.620 0.02 . 1 . . . . . . . . 6225 1 871 . 1 1 71 71 LYS HD2 H 1 1.620 0.02 . 1 . . . . . . . . 6225 1 872 . 1 1 71 71 LYS CE C 13 43.450 0.35 . 1 . . . . . . . . 6225 1 873 . 1 1 71 71 LYS HE3 H 1 2.910 0.02 . 1 . . . . . . . . 6225 1 874 . 1 1 71 71 LYS HE2 H 1 2.910 0.02 . 1 . . . . . . . . 6225 1 875 . 1 1 71 71 LYS C C 13 176.050 0.35 . 1 . . . . . . . . 6225 1 876 . 1 1 72 72 ARG N N 15 122.290 0.10 . 1 . . . . . . . . 6225 1 877 . 1 1 72 72 ARG H H 1 8.420 0.02 . 1 . . . . . . . . 6225 1 878 . 1 1 72 72 ARG CA C 13 54.850 0.35 . 1 . . . . . . . . 6225 1 879 . 1 1 72 72 ARG HA H 1 4.550 0.02 . 1 . . . . . . . . 6225 1 880 . 1 1 72 72 ARG CB C 13 32.500 0.35 . 1 . . . . . . . . 6225 1 881 . 1 1 72 72 ARG HB3 H 1 1.700 0.02 . 2 . . . . . . . . 6225 1 882 . 1 1 72 72 ARG HB2 H 1 1.830 0.02 . 2 . . . . . . . . 6225 1 883 . 1 1 72 72 ARG CG C 13 24.740 0.35 . 1 . . . . . . . . 6225 1 884 . 1 1 72 72 ARG HG3 H 1 1.390 0.02 . 2 . . . . . . . . 6225 1 885 . 1 1 72 72 ARG HG2 H 1 1.570 0.02 . 2 . . . . . . . . 6225 1 886 . 1 1 72 72 ARG CD C 13 43.460 0.35 . 1 . . . . . . . . 6225 1 887 . 1 1 72 72 ARG HD3 H 1 3.160 0.02 . 1 . . . . . . . . 6225 1 888 . 1 1 72 72 ARG HD2 H 1 3.160 0.02 . 1 . . . . . . . . 6225 1 889 . 1 1 72 72 ARG C C 13 175.170 0.35 . 1 . . . . . . . . 6225 1 890 . 1 1 73 73 LYS N N 15 121.300 0.10 . 1 . . . . . . . . 6225 1 891 . 1 1 73 73 LYS H H 1 8.400 0.02 . 1 . . . . . . . . 6225 1 892 . 1 1 73 73 LYS CA C 13 55.450 0.35 . 1 . . . . . . . . 6225 1 893 . 1 1 73 73 LYS HA H 1 4.800 0.02 . 1 . . . . . . . . 6225 1 894 . 1 1 73 73 LYS CB C 13 34.630 0.35 . 1 . . . . . . . . 6225 1 895 . 1 1 73 73 LYS HB3 H 1 1.680 0.02 . 1 . . . . . . . . 6225 1 896 . 1 1 73 73 LYS HB2 H 1 1.680 0.02 . 1 . . . . . . . . 6225 1 897 . 1 1 73 73 LYS CG C 13 25.280 0.35 . 1 . . . . . . . . 6225 1 898 . 1 1 73 73 LYS HG3 H 1 1.260 0.02 . 2 . . . . . . . . 6225 1 899 . 1 1 73 73 LYS HG2 H 1 1.380 0.02 . 2 . . . . . . . . 6225 1 900 . 1 1 73 73 LYS CD C 13 29.330 0.35 . 1 . . . . . . . . 6225 1 901 . 1 1 73 73 LYS HD3 H 1 1.570 0.02 . 1 . . . . . . . . 6225 1 902 . 1 1 73 73 LYS HD2 H 1 1.570 0.02 . 1 . . . . . . . . 6225 1 903 . 1 1 73 73 LYS CE C 13 42.180 0.35 . 1 . . . . . . . . 6225 1 904 . 1 1 73 73 LYS HE3 H 1 2.940 0.02 . 1 . . . . . . . . 6225 1 905 . 1 1 73 73 LYS HE2 H 1 2.940 0.02 . 1 . . . . . . . . 6225 1 906 . 1 1 73 73 LYS C C 13 177.000 0.35 . 1 . . . . . . . . 6225 1 907 . 1 1 74 74 ASP N N 15 121.940 0.10 . 1 . . . . . . . . 6225 1 908 . 1 1 74 74 ASP H H 1 8.560 0.02 . 1 . . . . . . . . 6225 1 909 . 1 1 74 74 ASP CA C 13 53.010 0.35 . 1 . . . . . . . . 6225 1 910 . 1 1 74 74 ASP HA H 1 4.610 0.02 . 1 . . . . . . . . 6225 1 911 . 1 1 74 74 ASP CB C 13 41.090 0.35 . 1 . . . . . . . . 6225 1 912 . 1 1 74 74 ASP HB3 H 1 2.600 0.02 . 2 . . . . . . . . 6225 1 913 . 1 1 74 74 ASP HB2 H 1 3.100 0.02 . 2 . . . . . . . . 6225 1 914 . 1 1 74 74 ASP C C 13 177.380 0.35 . 1 . . . . . . . . 6225 1 915 . 1 1 75 75 ASN N N 15 116.360 0.10 . 1 . . . . . . . . 6225 1 916 . 1 1 75 75 ASN H H 1 8.410 0.02 . 1 . . . . . . . . 6225 1 917 . 1 1 75 75 ASN CA C 13 54.960 0.35 . 1 . . . . . . . . 6225 1 918 . 1 1 75 75 ASN HA H 1 4.500 0.02 . 1 . . . . . . . . 6225 1 919 . 1 1 75 75 ASN CB C 13 38.250 0.35 . 1 . . . . . . . . 6225 1 920 . 1 1 75 75 ASN HB3 H 1 2.820 0.02 . 1 . . . . . . . . 6225 1 921 . 1 1 75 75 ASN HB2 H 1 2.820 0.02 . 1 . . . . . . . . 6225 1 922 . 1 1 75 75 ASN CG C 13 177.000 0.35 . 1 . . . . . . . . 6225 1 923 . 1 1 75 75 ASN ND2 N 15 113.120 0.10 . 1 . . . . . . . . 6225 1 924 . 1 1 75 75 ASN HD21 H 1 7.630 0.02 . 2 . . . . . . . . 6225 1 925 . 1 1 75 75 ASN HD22 H 1 6.940 0.02 . 2 . . . . . . . . 6225 1 926 . 1 1 75 75 ASN C C 13 175.900 0.35 . 1 . . . . . . . . 6225 1 927 . 1 1 76 76 GLU N N 15 119.070 0.10 . 1 . . . . . . . . 6225 1 928 . 1 1 76 76 GLU H H 1 8.140 0.02 . 1 . . . . . . . . 6225 1 929 . 1 1 76 76 GLU CA C 13 56.420 0.35 . 1 . . . . . . . . 6225 1 930 . 1 1 76 76 GLU HA H 1 4.330 0.02 . 1 . . . . . . . . 6225 1 931 . 1 1 76 76 GLU CB C 13 30.300 0.35 . 1 . . . . . . . . 6225 1 932 . 1 1 76 76 GLU HB3 H 1 1.920 0.02 . 2 . . . . . . . . 6225 1 933 . 1 1 76 76 GLU HB2 H 1 2.190 0.02 . 2 . . . . . . . . 6225 1 934 . 1 1 76 76 GLU CG C 13 36.900 0.35 . 1 . . . . . . . . 6225 1 935 . 1 1 76 76 GLU HG3 H 1 2.190 0.02 . 1 . . . . . . . . 6225 1 936 . 1 1 76 76 GLU HG2 H 1 2.190 0.02 . 1 . . . . . . . . 6225 1 937 . 1 1 76 76 GLU C C 13 176.450 0.35 . 1 . . . . . . . . 6225 1 938 . 1 1 77 77 GLY N N 15 108.130 0.10 . 1 . . . . . . . . 6225 1 939 . 1 1 77 77 GLY H H 1 8.100 0.02 . 1 . . . . . . . . 6225 1 940 . 1 1 77 77 GLY CA C 13 45.420 0.35 . 1 . . . . . . . . 6225 1 941 . 1 1 77 77 GLY HA3 H 1 3.640 0.02 . 2 . . . . . . . . 6225 1 942 . 1 1 77 77 GLY HA2 H 1 4.160 0.02 . 2 . . . . . . . . 6225 1 943 . 1 1 77 77 GLY C C 13 174.140 0.35 . 1 . . . . . . . . 6225 1 944 . 1 1 78 78 ASN N N 15 119.830 0.10 . 1 . . . . . . . . 6225 1 945 . 1 1 78 78 ASN H H 1 8.530 0.02 . 1 . . . . . . . . 6225 1 946 . 1 1 78 78 ASN CA C 13 53.000 0.35 . 1 . . . . . . . . 6225 1 947 . 1 1 78 78 ASN HA H 1 4.700 0.02 . 1 . . . . . . . . 6225 1 948 . 1 1 78 78 ASN CB C 13 39.140 0.35 . 1 . . . . . . . . 6225 1 949 . 1 1 78 78 ASN HB3 H 1 2.640 0.02 . 2 . . . . . . . . 6225 1 950 . 1 1 78 78 ASN HB2 H 1 2.810 0.02 . 2 . . . . . . . . 6225 1 951 . 1 1 78 78 ASN ND2 N 15 117.080 0.10 . 1 . . . . . . . . 6225 1 952 . 1 1 78 78 ASN HD21 H 1 8.210 0.02 . 2 . . . . . . . . 6225 1 953 . 1 1 78 78 ASN HD22 H 1 7.050 0.02 . 2 . . . . . . . . 6225 1 954 . 1 1 78 78 ASN C C 13 175.050 0.35 . 1 . . . . . . . . 6225 1 955 . 1 1 79 79 GLU N N 15 121.590 0.10 . 1 . . . . . . . . 6225 1 956 . 1 1 79 79 GLU H H 1 8.690 0.02 . 1 . . . . . . . . 6225 1 957 . 1 1 79 79 GLU CA C 13 56.810 0.35 . 1 . . . . . . . . 6225 1 958 . 1 1 79 79 GLU CB C 13 30.670 0.35 . 1 . . . . . . . . 6225 1 959 . 1 1 82 82 PRO C C 13 176.790 0.35 . 1 . . . . . . . . 6225 1 960 . 1 1 83 83 LYS N N 15 122.110 0.10 . 1 . . . . . . . . 6225 1 961 . 1 1 83 83 LYS H H 1 8.300 0.02 . 1 . . . . . . . . 6225 1 962 . 1 1 84 84 PRO CA C 13 62.890 0.35 . 1 . . . . . . . . 6225 1 963 . 1 1 84 84 PRO HA H 1 4.270 0.02 . 1 . . . . . . . . 6225 1 964 . 1 1 84 84 PRO CB C 13 32.440 0.35 . 1 . . . . . . . . 6225 1 965 . 1 1 84 84 PRO HB3 H 1 1.770 0.02 . 2 . . . . . . . . 6225 1 966 . 1 1 84 84 PRO HB2 H 1 2.230 0.02 . 2 . . . . . . . . 6225 1 967 . 1 1 84 84 PRO CG C 13 27.460 0.35 . 1 . . . . . . . . 6225 1 968 . 1 1 84 84 PRO HG3 H 1 1.880 0.02 . 1 . . . . . . . . 6225 1 969 . 1 1 84 84 PRO HG2 H 1 1.880 0.02 . 1 . . . . . . . . 6225 1 970 . 1 1 84 84 PRO CD C 13 50.590 0.35 . 1 . . . . . . . . 6225 1 971 . 1 1 84 84 PRO HD3 H 1 3.600 0.02 . 2 . . . . . . . . 6225 1 972 . 1 1 84 84 PRO HD2 H 1 3.750 0.02 . 2 . . . . . . . . 6225 1 973 . 1 1 84 84 PRO C C 13 176.850 0.35 . 1 . . . . . . . . 6225 1 974 . 1 1 85 85 GLN N N 15 121.480 0.10 . 1 . . . . . . . . 6225 1 975 . 1 1 85 85 GLN H H 1 8.500 0.02 . 1 . . . . . . . . 6225 1 976 . 1 1 85 85 GLN CA C 13 56.230 0.35 . 1 . . . . . . . . 6225 1 977 . 1 1 85 85 GLN HA H 1 4.140 0.02 . 1 . . . . . . . . 6225 1 978 . 1 1 85 85 GLN CB C 13 29.900 0.35 . 1 . . . . . . . . 6225 1 979 . 1 1 85 85 GLN HB3 H 1 1.850 0.02 . 2 . . . . . . . . 6225 1 980 . 1 1 85 85 GLN HB2 H 1 1.890 0.02 . 2 . . . . . . . . 6225 1 981 . 1 1 85 85 GLN CG C 13 34.120 0.35 . 1 . . . . . . . . 6225 1 982 . 1 1 85 85 GLN HG3 H 1 2.260 0.02 . 2 . . . . . . . . 6225 1 983 . 1 1 85 85 GLN HG2 H 1 2.310 0.02 . 2 . . . . . . . . 6225 1 984 . 1 1 85 85 GLN CD C 13 180.200 0.35 . 1 . . . . . . . . 6225 1 985 . 1 1 85 85 GLN NE2 N 15 112.760 0.10 . 1 . . . . . . . . 6225 1 986 . 1 1 85 85 GLN HE21 H 1 7.600 0.02 . 2 . . . . . . . . 6225 1 987 . 1 1 85 85 GLN HE22 H 1 7.030 0.02 . 2 . . . . . . . . 6225 1 988 . 1 1 85 85 GLN C C 13 174.970 0.35 . 1 . . . . . . . . 6225 1 989 . 1 1 86 86 ARG N N 15 121.190 0.10 . 1 . . . . . . . . 6225 1 990 . 1 1 86 86 ARG H H 1 8.240 0.02 . 1 . . . . . . . . 6225 1 991 . 1 1 86 86 ARG CA C 13 54.890 0.35 . 1 . . . . . . . . 6225 1 992 . 1 1 86 86 ARG HA H 1 5.100 0.02 . 1 . . . . . . . . 6225 1 993 . 1 1 86 86 ARG CB C 13 33.410 0.35 . 1 . . . . . . . . 6225 1 994 . 1 1 86 86 ARG HB3 H 1 1.530 0.02 . 2 . . . . . . . . 6225 1 995 . 1 1 86 86 ARG HB2 H 1 1.630 0.02 . 2 . . . . . . . . 6225 1 996 . 1 1 86 86 ARG CG C 13 27.600 0.35 . 1 . . . . . . . . 6225 1 997 . 1 1 86 86 ARG HG3 H 1 1.450 0.02 . 2 . . . . . . . . 6225 1 998 . 1 1 86 86 ARG HG2 H 1 1.570 0.02 . 2 . . . . . . . . 6225 1 999 . 1 1 86 86 ARG CD C 13 43.810 0.35 . 1 . . . . . . . . 6225 1 1000 . 1 1 86 86 ARG HD3 H 1 3.050 0.02 . 1 . . . . . . . . 6225 1 1001 . 1 1 86 86 ARG HD2 H 1 3.050 0.02 . 1 . . . . . . . . 6225 1 1002 . 1 1 86 86 ARG C C 13 174.890 0.35 . 1 . . . . . . . . 6225 1 1003 . 1 1 87 87 HIS N N 15 121.590 0.10 . 1 . . . . . . . . 6225 1 1004 . 1 1 87 87 HIS H H 1 8.690 0.02 . 1 . . . . . . . . 6225 1 1005 . 1 1 87 87 HIS CA C 13 54.470 0.35 . 1 . . . . . . . . 6225 1 1006 . 1 1 87 87 HIS HA H 1 4.710 0.02 . 1 . . . . . . . . 6225 1 1007 . 1 1 87 87 HIS CB C 13 33.370 0.35 . 1 . . . . . . . . 6225 1 1008 . 1 1 87 87 HIS HB3 H 1 2.740 0.02 . 2 . . . . . . . . 6225 1 1009 . 1 1 87 87 HIS HB2 H 1 3.180 0.02 . 2 . . . . . . . . 6225 1 1010 . 1 1 87 87 HIS CD2 C 13 118.500 0.35 . 1 . . . . . . . . 6225 1 1011 . 1 1 87 87 HIS HD2 H 1 6.700 0.02 . 1 . . . . . . . . 6225 1 1012 . 1 1 87 87 HIS CE1 C 13 139.300 0.35 . 1 . . . . . . . . 6225 1 1013 . 1 1 87 87 HIS HE1 H 1 8.010 0.02 . 1 . . . . . . . . 6225 1 1014 . 1 1 87 87 HIS C C 13 174.050 0.35 . 1 . . . . . . . . 6225 1 1015 . 1 1 88 88 MET N N 15 125.270 0.10 . 1 . . . . . . . . 6225 1 1016 . 1 1 88 88 MET H H 1 8.530 0.02 . 1 . . . . . . . . 6225 1 1017 . 1 1 88 88 MET CA C 13 55.060 0.35 . 1 . . . . . . . . 6225 1 1018 . 1 1 88 88 MET HA H 1 5.250 0.02 . 1 . . . . . . . . 6225 1 1019 . 1 1 88 88 MET CB C 13 34.990 0.35 . 1 . . . . . . . . 6225 1 1020 . 1 1 88 88 MET HB3 H 1 1.760 0.02 . 2 . . . . . . . . 6225 1 1021 . 1 1 88 88 MET HB2 H 1 1.880 0.02 . 2 . . . . . . . . 6225 1 1022 . 1 1 88 88 MET CG C 13 32.540 0.35 . 1 . . . . . . . . 6225 1 1023 . 1 1 88 88 MET HG3 H 1 2.250 0.02 . 2 . . . . . . . . 6225 1 1024 . 1 1 88 88 MET HG2 H 1 2.340 0.02 . 2 . . . . . . . . 6225 1 1025 . 1 1 88 88 MET CE C 13 17.360 0.35 . 1 . . . . . . . . 6225 1 1026 . 1 1 88 88 MET HE1 H 1 1.920 0.02 . 1 . . . . . . . . 6225 1 1027 . 1 1 88 88 MET HE2 H 1 1.920 0.02 . 1 . . . . . . . . 6225 1 1028 . 1 1 88 88 MET HE3 H 1 1.920 0.02 . 1 . . . . . . . . 6225 1 1029 . 1 1 88 88 MET C C 13 173.550 0.35 . 1 . . . . . . . . 6225 1 1030 . 1 1 89 89 PHE N N 15 122.030 0.10 . 1 . . . . . . . . 6225 1 1031 . 1 1 89 89 PHE H H 1 8.930 0.02 . 1 . . . . . . . . 6225 1 1032 . 1 1 89 89 PHE CA C 13 56.550 0.35 . 1 . . . . . . . . 6225 1 1033 . 1 1 89 89 PHE HA H 1 5.110 0.02 . 1 . . . . . . . . 6225 1 1034 . 1 1 89 89 PHE CB C 13 43.870 0.35 . 1 . . . . . . . . 6225 1 1035 . 1 1 89 89 PHE HB3 H 1 2.580 0.02 . 1 . . . . . . . . 6225 1 1036 . 1 1 89 89 PHE HB2 H 1 2.580 0.02 . 1 . . . . . . . . 6225 1 1037 . 1 1 89 89 PHE CD1 C 13 131.400 0.35 . 1 . . . . . . . . 6225 1 1038 . 1 1 89 89 PHE HD1 H 1 6.820 0.02 . 1 . . . . . . . . 6225 1 1039 . 1 1 89 89 PHE HE1 H 1 6.640 0.02 . 1 . . . . . . . . 6225 1 1040 . 1 1 89 89 PHE HZ H 1 6.580 0.02 . 1 . . . . . . . . 6225 1 1041 . 1 1 89 89 PHE HE2 H 1 6.640 0.02 . 1 . . . . . . . . 6225 1 1042 . 1 1 89 89 PHE CD2 C 13 131.400 0.35 . 1 . . . . . . . . 6225 1 1043 . 1 1 89 89 PHE HD2 H 1 6.820 0.02 . 1 . . . . . . . . 6225 1 1044 . 1 1 89 89 PHE C C 13 174.390 0.35 . 1 . . . . . . . . 6225 1 1045 . 1 1 90 90 SER N N 15 116.890 0.10 . 1 . . . . . . . . 6225 1 1046 . 1 1 90 90 SER H H 1 8.740 0.02 . 1 . . . . . . . . 6225 1 1047 . 1 1 90 90 SER CA C 13 57.210 0.35 . 1 . . . . . . . . 6225 1 1048 . 1 1 90 90 SER HA H 1 5.640 0.02 . 1 . . . . . . . . 6225 1 1049 . 1 1 90 90 SER CB C 13 65.010 0.35 . 1 . . . . . . . . 6225 1 1050 . 1 1 90 90 SER HB3 H 1 3.670 0.02 . 2 . . . . . . . . 6225 1 1051 . 1 1 90 90 SER HB2 H 1 3.810 0.02 . 2 . . . . . . . . 6225 1 1052 . 1 1 90 90 SER C C 13 172.980 0.35 . 1 . . . . . . . . 6225 1 1053 . 1 1 91 91 PHE N N 15 119.970 0.10 . 1 . . . . . . . . 6225 1 1054 . 1 1 91 91 PHE H H 1 8.740 0.02 . 1 . . . . . . . . 6225 1 1055 . 1 1 91 91 PHE CA C 13 57.410 0.35 . 1 . . . . . . . . 6225 1 1056 . 1 1 91 91 PHE HA H 1 4.880 0.02 . 1 . . . . . . . . 6225 1 1057 . 1 1 91 91 PHE CB C 13 43.720 0.35 . 1 . . . . . . . . 6225 1 1058 . 1 1 91 91 PHE HB3 H 1 2.760 0.02 . 2 . . . . . . . . 6225 1 1059 . 1 1 91 91 PHE HB2 H 1 3.270 0.02 . 2 . . . . . . . . 6225 1 1060 . 1 1 91 91 PHE CD1 C 13 132.600 0.35 . 1 . . . . . . . . 6225 1 1061 . 1 1 91 91 PHE HD1 H 1 7.430 0.02 . 1 . . . . . . . . 6225 1 1062 . 1 1 91 91 PHE HE1 H 1 7.070 0.02 . 1 . . . . . . . . 6225 1 1063 . 1 1 91 91 PHE HZ H 1 6.760 0.02 . 1 . . . . . . . . 6225 1 1064 . 1 1 91 91 PHE HE2 H 1 7.070 0.02 . 1 . . . . . . . . 6225 1 1065 . 1 1 91 91 PHE CD2 C 13 132.600 0.35 . 1 . . . . . . . . 6225 1 1066 . 1 1 91 91 PHE HD2 H 1 7.430 0.02 . 1 . . . . . . . . 6225 1 1067 . 1 1 91 91 PHE C C 13 174.390 0.35 . 1 . . . . . . . . 6225 1 1068 . 1 1 92 92 ASN N N 15 115.960 0.10 . 1 . . . . . . . . 6225 1 1069 . 1 1 92 92 ASN H H 1 9.100 0.02 . 1 . . . . . . . . 6225 1 1070 . 1 1 92 92 ASN CA C 13 52.460 0.35 . 1 . . . . . . . . 6225 1 1071 . 1 1 92 92 ASN HA H 1 5.070 0.02 . 1 . . . . . . . . 6225 1 1072 . 1 1 92 92 ASN CB C 13 40.020 0.35 . 1 . . . . . . . . 6225 1 1073 . 1 1 92 92 ASN HB3 H 1 2.850 0.02 . 2 . . . . . . . . 6225 1 1074 . 1 1 92 92 ASN HB2 H 1 2.880 0.02 . 2 . . . . . . . . 6225 1 1075 . 1 1 92 92 ASN CG C 13 176.900 0.35 . 1 . . . . . . . . 6225 1 1076 . 1 1 92 92 ASN ND2 N 15 111.400 0.10 . 1 . . . . . . . . 6225 1 1077 . 1 1 92 92 ASN HD21 H 1 7.590 0.02 . 2 . . . . . . . . 6225 1 1078 . 1 1 92 92 ASN HD22 H 1 6.790 0.02 . 2 . . . . . . . . 6225 1 1079 . 1 1 92 92 ASN C C 13 174.720 0.35 . 1 . . . . . . . . 6225 1 1080 . 1 1 93 93 ASN N N 15 118.480 0.10 . 1 . . . . . . . . 6225 1 1081 . 1 1 93 93 ASN H H 1 7.250 0.02 . 1 . . . . . . . . 6225 1 1082 . 1 1 93 93 ASN CA C 13 53.150 0.35 . 1 . . . . . . . . 6225 1 1083 . 1 1 93 93 ASN HA H 1 4.870 0.02 . 1 . . . . . . . . 6225 1 1084 . 1 1 93 93 ASN CB C 13 41.850 0.35 . 1 . . . . . . . . 6225 1 1085 . 1 1 93 93 ASN HB3 H 1 2.820 0.02 . 2 . . . . . . . . 6225 1 1086 . 1 1 93 93 ASN HB2 H 1 2.860 0.02 . 2 . . . . . . . . 6225 1 1087 . 1 1 93 93 ASN CG C 13 176.400 0.35 . 1 . . . . . . . . 6225 1 1088 . 1 1 93 93 ASN ND2 N 15 114.010 0.10 . 1 . . . . . . . . 6225 1 1089 . 1 1 93 93 ASN HD21 H 1 7.880 0.02 . 2 . . . . . . . . 6225 1 1090 . 1 1 93 93 ASN HD22 H 1 7.190 0.02 . 2 . . . . . . . . 6225 1 1091 . 1 1 93 93 ASN C C 13 174.440 0.35 . 1 . . . . . . . . 6225 1 1092 . 1 1 94 94 ARG N N 15 129.090 0.10 . 1 . . . . . . . . 6225 1 1093 . 1 1 94 94 ARG H H 1 9.300 0.02 . 1 . . . . . . . . 6225 1 1094 . 1 1 94 94 ARG CA C 13 59.380 0.35 . 1 . . . . . . . . 6225 1 1095 . 1 1 94 94 ARG HA H 1 3.840 0.02 . 1 . . . . . . . . 6225 1 1096 . 1 1 94 94 ARG CB C 13 30.140 0.35 . 1 . . . . . . . . 6225 1 1097 . 1 1 94 94 ARG HB3 H 1 1.800 0.02 . 2 . . . . . . . . 6225 1 1098 . 1 1 94 94 ARG HB2 H 1 1.960 0.02 . 2 . . . . . . . . 6225 1 1099 . 1 1 94 94 ARG CG C 13 26.590 0.35 . 1 . . . . . . . . 6225 1 1100 . 1 1 94 94 ARG HG3 H 1 1.620 0.02 . 2 . . . . . . . . 6225 1 1101 . 1 1 94 94 ARG HG2 H 1 1.760 0.02 . 2 . . . . . . . . 6225 1 1102 . 1 1 94 94 ARG CD C 13 42.750 0.35 . 1 . . . . . . . . 6225 1 1103 . 1 1 94 94 ARG HD3 H 1 3.090 0.02 . 2 . . . . . . . . 6225 1 1104 . 1 1 94 94 ARG HD2 H 1 3.340 0.02 . 2 . . . . . . . . 6225 1 1105 . 1 1 94 94 ARG NE N 15 110.010 0.10 . 1 . . . . . . . . 6225 1 1106 . 1 1 94 94 ARG HE H 1 7.450 0.02 . 1 . . . . . . . . 6225 1 1107 . 1 1 94 94 ARG C C 13 176.700 0.35 . 1 . . . . . . . . 6225 1 1108 . 1 1 95 95 THR N N 15 115.710 0.10 . 1 . . . . . . . . 6225 1 1109 . 1 1 95 95 THR H H 1 7.970 0.02 . 1 . . . . . . . . 6225 1 1110 . 1 1 95 95 THR CA C 13 66.580 0.35 . 1 . . . . . . . . 6225 1 1111 . 1 1 95 95 THR HA H 1 3.960 0.02 . 1 . . . . . . . . 6225 1 1112 . 1 1 95 95 THR CB C 13 68.540 0.35 . 1 . . . . . . . . 6225 1 1113 . 1 1 95 95 THR HB H 1 4.300 0.02 . 1 . . . . . . . . 6225 1 1114 . 1 1 95 95 THR CG2 C 13 22.080 0.35 . 1 . . . . . . . . 6225 1 1115 . 1 1 95 95 THR HG21 H 1 1.240 0.02 . 1 . . . . . . . . 6225 1 1116 . 1 1 95 95 THR HG22 H 1 1.240 0.02 . 1 . . . . . . . . 6225 1 1117 . 1 1 95 95 THR HG23 H 1 1.240 0.02 . 1 . . . . . . . . 6225 1 1118 . 1 1 95 95 THR C C 13 176.530 0.35 . 1 . . . . . . . . 6225 1 1119 . 1 1 96 96 VAL N N 15 121.750 0.10 . 1 . . . . . . . . 6225 1 1120 . 1 1 96 96 VAL H H 1 7.550 0.02 . 1 . . . . . . . . 6225 1 1121 . 1 1 96 96 VAL CA C 13 66.070 0.35 . 1 . . . . . . . . 6225 1 1122 . 1 1 96 96 VAL HA H 1 3.760 0.02 . 1 . . . . . . . . 6225 1 1123 . 1 1 96 96 VAL CB C 13 32.290 0.35 . 1 . . . . . . . . 6225 1 1124 . 1 1 96 96 VAL HB H 1 2.320 0.02 . 1 . . . . . . . . 6225 1 1125 . 1 1 96 96 VAL CG2 C 13 22.190 0.35 . 1 . . . . . . . . 6225 1 1126 . 1 1 96 96 VAL HG21 H 1 1.190 0.02 . 1 . . . . . . . . 6225 1 1127 . 1 1 96 96 VAL HG22 H 1 1.190 0.02 . 1 . . . . . . . . 6225 1 1128 . 1 1 96 96 VAL HG23 H 1 1.190 0.02 . 1 . . . . . . . . 6225 1 1129 . 1 1 96 96 VAL CG1 C 13 21.460 0.35 . 1 . . . . . . . . 6225 1 1130 . 1 1 96 96 VAL HG11 H 1 1.260 0.02 . 1 . . . . . . . . 6225 1 1131 . 1 1 96 96 VAL HG12 H 1 1.260 0.02 . 1 . . . . . . . . 6225 1 1132 . 1 1 96 96 VAL HG13 H 1 1.260 0.02 . 1 . . . . . . . . 6225 1 1133 . 1 1 96 96 VAL C C 13 177.470 0.35 . 1 . . . . . . . . 6225 1 1134 . 1 1 97 97 MET N N 15 117.500 0.10 . 1 . . . . . . . . 6225 1 1135 . 1 1 97 97 MET H H 1 7.290 0.02 . 1 . . . . . . . . 6225 1 1136 . 1 1 97 97 MET CA C 13 59.770 0.35 . 1 . . . . . . . . 6225 1 1137 . 1 1 97 97 MET HA H 1 2.320 0.02 . 1 . . . . . . . . 6225 1 1138 . 1 1 97 97 MET CB C 13 32.480 0.35 . 1 . . . . . . . . 6225 1 1139 . 1 1 97 97 MET HB3 H 1 1.070 0.02 . 2 . . . . . . . . 6225 1 1140 . 1 1 97 97 MET HB2 H 1 1.920 0.02 . 2 . . . . . . . . 6225 1 1141 . 1 1 97 97 MET CG C 13 32.580 0.35 . 1 . . . . . . . . 6225 1 1142 . 1 1 97 97 MET HG3 H 1 1.510 0.02 . 2 . . . . . . . . 6225 1 1143 . 1 1 97 97 MET HG2 H 1 1.900 0.02 . 2 . . . . . . . . 6225 1 1144 . 1 1 97 97 MET CE C 13 17.800 0.35 . 5 . . . . . . . . 6225 1 1145 . 1 1 97 97 MET HE1 H 1 2.040 0.02 . 5 . . . . . . . . 6225 1 1146 . 1 1 97 97 MET HE2 H 1 2.040 0.02 . 5 . . . . . . . . 6225 1 1147 . 1 1 97 97 MET HE3 H 1 2.040 0.02 . 5 . . . . . . . . 6225 1 1148 . 1 1 97 97 MET C C 13 177.090 0.35 . 1 . . . . . . . . 6225 1 1149 . 1 1 98 98 ASP N N 15 118.090 0.10 . 1 . . . . . . . . 6225 1 1150 . 1 1 98 98 ASP H H 1 8.650 0.02 . 1 . . . . . . . . 6225 1 1151 . 1 1 98 98 ASP CA C 13 57.650 0.35 . 1 . . . . . . . . 6225 1 1152 . 1 1 98 98 ASP HA H 1 4.220 0.02 . 1 . . . . . . . . 6225 1 1153 . 1 1 98 98 ASP CB C 13 39.860 0.35 . 1 . . . . . . . . 6225 1 1154 . 1 1 98 98 ASP HB3 H 1 2.510 0.02 . 2 . . . . . . . . 6225 1 1155 . 1 1 98 98 ASP HB2 H 1 2.680 0.02 . 2 . . . . . . . . 6225 1 1156 . 1 1 98 98 ASP C C 13 178.910 0.35 . 1 . . . . . . . . 6225 1 1157 . 1 1 99 99 ASN N N 15 120.280 0.10 . 1 . . . . . . . . 6225 1 1158 . 1 1 99 99 ASN H H 1 8.090 0.02 . 1 . . . . . . . . 6225 1 1159 . 1 1 99 99 ASN CA C 13 56.170 0.35 . 1 . . . . . . . . 6225 1 1160 . 1 1 99 99 ASN HA H 1 4.410 0.02 . 1 . . . . . . . . 6225 1 1161 . 1 1 99 99 ASN CB C 13 38.430 0.35 . 1 . . . . . . . . 6225 1 1162 . 1 1 99 99 ASN HB3 H 1 2.720 0.02 . 2 . . . . . . . . 6225 1 1163 . 1 1 99 99 ASN HB2 H 1 2.990 0.02 . 2 . . . . . . . . 6225 1 1164 . 1 1 99 99 ASN CG C 13 176.300 0.35 . 1 . . . . . . . . 6225 1 1165 . 1 1 99 99 ASN ND2 N 15 111.500 0.10 . 1 . . . . . . . . 6225 1 1166 . 1 1 99 99 ASN HD21 H 1 7.400 0.02 . 2 . . . . . . . . 6225 1 1167 . 1 1 99 99 ASN HD22 H 1 6.930 0.02 . 2 . . . . . . . . 6225 1 1168 . 1 1 99 99 ASN C C 13 177.970 0.35 . 1 . . . . . . . . 6225 1 1169 . 1 1 100 100 ILE N N 15 121.000 0.10 . 1 . . . . . . . . 6225 1 1170 . 1 1 100 100 ILE H H 1 8.020 0.02 . 1 . . . . . . . . 6225 1 1171 . 1 1 100 100 ILE CA C 13 62.830 0.35 . 1 . . . . . . . . 6225 1 1172 . 1 1 100 100 ILE HA H 1 3.620 0.02 . 1 . . . . . . . . 6225 1 1173 . 1 1 100 100 ILE CB C 13 35.820 0.35 . 1 . . . . . . . . 6225 1 1174 . 1 1 100 100 ILE HB H 1 1.850 0.02 . 1 . . . . . . . . 6225 1 1175 . 1 1 100 100 ILE CG1 C 13 28.550 0.35 . 1 . . . . . . . . 6225 1 1176 . 1 1 100 100 ILE HG13 H 1 1.280 0.02 . 2 . . . . . . . . 6225 1 1177 . 1 1 100 100 ILE HG12 H 1 1.530 0.02 . 2 . . . . . . . . 6225 1 1178 . 1 1 100 100 ILE CD1 C 13 9.850 0.35 . 1 . . . . . . . . 6225 1 1179 . 1 1 100 100 ILE HD11 H 1 0.480 0.02 . 1 . . . . . . . . 6225 1 1180 . 1 1 100 100 ILE HD12 H 1 0.480 0.02 . 1 . . . . . . . . 6225 1 1181 . 1 1 100 100 ILE HD13 H 1 0.480 0.02 . 1 . . . . . . . . 6225 1 1182 . 1 1 100 100 ILE CG2 C 13 17.320 0.35 . 1 . . . . . . . . 6225 1 1183 . 1 1 100 100 ILE HG21 H 1 0.660 0.02 . 1 . . . . . . . . 6225 1 1184 . 1 1 100 100 ILE HG22 H 1 0.660 0.02 . 1 . . . . . . . . 6225 1 1185 . 1 1 100 100 ILE HG23 H 1 0.660 0.02 . 1 . . . . . . . . 6225 1 1186 . 1 1 100 100 ILE C C 13 177.480 0.35 . 1 . . . . . . . . 6225 1 1187 . 1 1 101 101 LYS N N 15 120.710 0.10 . 1 . . . . . . . . 6225 1 1188 . 1 1 101 101 LYS H H 1 8.860 0.02 . 1 . . . . . . . . 6225 1 1189 . 1 1 101 101 LYS CA C 13 60.530 0.35 . 1 . . . . . . . . 6225 1 1190 . 1 1 101 101 LYS HA H 1 3.590 0.02 . 1 . . . . . . . . 6225 1 1191 . 1 1 101 101 LYS CB C 13 32.710 0.35 . 1 . . . . . . . . 6225 1 1192 . 1 1 101 101 LYS HB3 H 1 1.780 0.02 . 2 . . . . . . . . 6225 1 1193 . 1 1 101 101 LYS HB2 H 1 2.000 0.02 . 2 . . . . . . . . 6225 1 1194 . 1 1 101 101 LYS CG C 13 24.470 0.35 . 1 . . . . . . . . 6225 1 1195 . 1 1 101 101 LYS HG3 H 1 1.270 0.02 . 2 . . . . . . . . 6225 1 1196 . 1 1 101 101 LYS HG2 H 1 1.310 0.02 . 2 . . . . . . . . 6225 1 1197 . 1 1 101 101 LYS CD C 13 29.490 0.35 . 1 . . . . . . . . 6225 1 1198 . 1 1 101 101 LYS HD3 H 1 1.490 0.02 . 2 . . . . . . . . 6225 1 1199 . 1 1 101 101 LYS HD2 H 1 1.610 0.02 . 2 . . . . . . . . 6225 1 1200 . 1 1 101 101 LYS CE C 13 41.580 0.35 . 1 . . . . . . . . 6225 1 1201 . 1 1 101 101 LYS HE3 H 1 2.830 0.02 . 1 . . . . . . . . 6225 1 1202 . 1 1 101 101 LYS HE2 H 1 2.830 0.02 . 1 . . . . . . . . 6225 1 1203 . 1 1 101 101 LYS C C 13 177.480 0.35 . 1 . . . . . . . . 6225 1 1204 . 1 1 102 102 MET N N 15 116.980 0.10 . 1 . . . . . . . . 6225 1 1205 . 1 1 102 102 MET H H 1 8.010 0.02 . 1 . . . . . . . . 6225 1 1206 . 1 1 102 102 MET CA C 13 58.790 0.35 . 1 . . . . . . . . 6225 1 1207 . 1 1 102 102 MET HA H 1 4.130 0.02 . 1 . . . . . . . . 6225 1 1208 . 1 1 102 102 MET CB C 13 32.180 0.35 . 1 . . . . . . . . 6225 1 1209 . 1 1 102 102 MET HB3 H 1 2.130 0.02 . 2 . . . . . . . . 6225 1 1210 . 1 1 102 102 MET HB2 H 1 2.210 0.02 . 2 . . . . . . . . 6225 1 1211 . 1 1 102 102 MET CG C 13 31.980 0.35 . 1 . . . . . . . . 6225 1 1212 . 1 1 102 102 MET HG3 H 1 2.600 0.02 . 2 . . . . . . . . 6225 1 1213 . 1 1 102 102 MET HG2 H 1 2.660 0.02 . 2 . . . . . . . . 6225 1 1214 . 1 1 102 102 MET CE C 13 16.850 0.35 . 1 . . . . . . . . 6225 1 1215 . 1 1 102 102 MET HE1 H 1 2.060 0.02 . 1 . . . . . . . . 6225 1 1216 . 1 1 102 102 MET HE2 H 1 2.060 0.02 . 1 . . . . . . . . 6225 1 1217 . 1 1 102 102 MET HE3 H 1 2.060 0.02 . 1 . . . . . . . . 6225 1 1218 . 1 1 102 102 MET C C 13 178.930 0.35 . 1 . . . . . . . . 6225 1 1219 . 1 1 103 103 THR N N 15 118.120 0.10 . 1 . . . . . . . . 6225 1 1220 . 1 1 103 103 THR H H 1 7.680 0.02 . 1 . . . . . . . . 6225 1 1221 . 1 1 103 103 THR CA C 13 66.340 0.35 . 1 . . . . . . . . 6225 1 1222 . 1 1 103 103 THR HA H 1 3.810 0.02 . 1 . . . . . . . . 6225 1 1223 . 1 1 103 103 THR CB C 13 68.220 0.35 . 1 . . . . . . . . 6225 1 1224 . 1 1 103 103 THR HB H 1 3.950 0.02 . 1 . . . . . . . . 6225 1 1225 . 1 1 103 103 THR CG2 C 13 22.330 0.35 . 1 . . . . . . . . 6225 1 1226 . 1 1 103 103 THR HG21 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 1227 . 1 1 103 103 THR HG22 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 1228 . 1 1 103 103 THR HG23 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 1229 . 1 1 103 103 THR C C 13 176.480 0.35 . 1 . . . . . . . . 6225 1 1230 . 1 1 104 104 LEU N N 15 119.270 0.10 . 1 . . . . . . . . 6225 1 1231 . 1 1 104 104 LEU H H 1 8.530 0.02 . 1 . . . . . . . . 6225 1 1232 . 1 1 104 104 LEU CA C 13 58.120 0.35 . 1 . . . . . . . . 6225 1 1233 . 1 1 104 104 LEU HA H 1 3.830 0.02 . 1 . . . . . . . . 6225 1 1234 . 1 1 104 104 LEU CB C 13 42.930 0.35 . 1 . . . . . . . . 6225 1 1235 . 1 1 104 104 LEU HB3 H 1 1.110 0.02 . 2 . . . . . . . . 6225 1 1236 . 1 1 104 104 LEU HB2 H 1 2.050 0.02 . 2 . . . . . . . . 6225 1 1237 . 1 1 104 104 LEU CG C 13 26.880 0.35 . 1 . . . . . . . . 6225 1 1238 . 1 1 104 104 LEU HG H 1 1.850 0.02 . 1 . . . . . . . . 6225 1 1239 . 1 1 104 104 LEU CD1 C 13 26.880 0.35 . 2 . . . . . . . . 6225 1 1240 . 1 1 104 104 LEU HD11 H 1 0.680 0.02 . 2 . . . . . . . . 6225 1 1241 . 1 1 104 104 LEU HD12 H 1 0.680 0.02 . 2 . . . . . . . . 6225 1 1242 . 1 1 104 104 LEU HD13 H 1 0.680 0.02 . 2 . . . . . . . . 6225 1 1243 . 1 1 104 104 LEU CD2 C 13 24.800 0.35 . 2 . . . . . . . . 6225 1 1244 . 1 1 104 104 LEU HD21 H 1 0.750 0.02 . 2 . . . . . . . . 6225 1 1245 . 1 1 104 104 LEU HD22 H 1 0.750 0.02 . 2 . . . . . . . . 6225 1 1246 . 1 1 104 104 LEU HD23 H 1 0.750 0.02 . 2 . . . . . . . . 6225 1 1247 . 1 1 104 104 LEU C C 13 178.310 0.35 . 1 . . . . . . . . 6225 1 1248 . 1 1 105 105 GLN N N 15 118.130 0.10 . 1 . . . . . . . . 6225 1 1249 . 1 1 105 105 GLN H H 1 8.750 0.02 . 1 . . . . . . . . 6225 1 1250 . 1 1 105 105 GLN CA C 13 59.250 0.35 . 1 . . . . . . . . 6225 1 1251 . 1 1 105 105 GLN HA H 1 3.890 0.02 . 1 . . . . . . . . 6225 1 1252 . 1 1 105 105 GLN CB C 13 28.570 0.35 . 1 . . . . . . . . 6225 1 1253 . 1 1 105 105 GLN HB3 H 1 2.080 0.02 . 2 . . . . . . . . 6225 1 1254 . 1 1 105 105 GLN HB2 H 1 2.240 0.02 . 2 . . . . . . . . 6225 1 1255 . 1 1 105 105 GLN CG C 13 34.320 0.35 . 1 . . . . . . . . 6225 1 1256 . 1 1 105 105 GLN HG3 H 1 2.370 0.02 . 2 . . . . . . . . 6225 1 1257 . 1 1 105 105 GLN HG2 H 1 2.440 0.02 . 2 . . . . . . . . 6225 1 1258 . 1 1 105 105 GLN CD C 13 179.800 0.35 . 1 . . . . . . . . 6225 1 1259 . 1 1 105 105 GLN NE2 N 15 111.900 0.10 . 1 . . . . . . . . 6225 1 1260 . 1 1 105 105 GLN HE21 H 1 7.390 0.02 . 2 . . . . . . . . 6225 1 1261 . 1 1 105 105 GLN HE22 H 1 6.850 0.02 . 2 . . . . . . . . 6225 1 1262 . 1 1 105 105 GLN C C 13 178.650 0.35 . 1 . . . . . . . . 6225 1 1263 . 1 1 106 106 GLN N N 15 118.120 0.10 . 1 . . . . . . . . 6225 1 1264 . 1 1 106 106 GLN H H 1 7.550 0.02 . 1 . . . . . . . . 6225 1 1265 . 1 1 106 106 GLN CA C 13 58.830 0.35 . 1 . . . . . . . . 6225 1 1266 . 1 1 106 106 GLN HA H 1 4.040 0.02 . 1 . . . . . . . . 6225 1 1267 . 1 1 106 106 GLN CB C 13 28.510 0.35 . 1 . . . . . . . . 6225 1 1268 . 1 1 106 106 GLN HB3 H 1 2.160 0.02 . 2 . . . . . . . . 6225 1 1269 . 1 1 106 106 GLN HB2 H 1 2.290 0.02 . 2 . . . . . . . . 6225 1 1270 . 1 1 106 106 GLN CG C 13 34.090 0.35 . 1 . . . . . . . . 6225 1 1271 . 1 1 106 106 GLN HG3 H 1 2.380 0.02 . 2 . . . . . . . . 6225 1 1272 . 1 1 106 106 GLN HG2 H 1 2.550 0.02 . 2 . . . . . . . . 6225 1 1273 . 1 1 106 106 GLN CD C 13 180.100 0.35 . 1 . . . . . . . . 6225 1 1274 . 1 1 106 106 GLN NE2 N 15 111.300 0.10 . 1 . . . . . . . . 6225 1 1275 . 1 1 106 106 GLN HE21 H 1 7.360 0.02 . 2 . . . . . . . . 6225 1 1276 . 1 1 106 106 GLN HE22 H 1 6.830 0.02 . 2 . . . . . . . . 6225 1 1277 . 1 1 106 106 GLN C C 13 178.560 0.35 . 1 . . . . . . . . 6225 1 1278 . 1 1 107 107 ILE N N 15 120.310 0.10 . 1 . . . . . . . . 6225 1 1279 . 1 1 107 107 ILE H H 1 7.750 0.02 . 1 . . . . . . . . 6225 1 1280 . 1 1 107 107 ILE CA C 13 65.670 0.35 . 1 . . . . . . . . 6225 1 1281 . 1 1 107 107 ILE HA H 1 3.440 0.02 . 1 . . . . . . . . 6225 1 1282 . 1 1 107 107 ILE CB C 13 39.130 0.35 . 1 . . . . . . . . 6225 1 1283 . 1 1 107 107 ILE HB H 1 1.680 0.02 . 1 . . . . . . . . 6225 1 1284 . 1 1 107 107 ILE CG1 C 13 28.780 0.35 . 1 . . . . . . . . 6225 1 1285 . 1 1 107 107 ILE HG13 H 1 0.850 0.02 . 2 . . . . . . . . 6225 1 1286 . 1 1 107 107 ILE HG12 H 1 1.890 0.02 . 2 . . . . . . . . 6225 1 1287 . 1 1 107 107 ILE CD1 C 13 15.920 0.35 . 1 . . . . . . . . 6225 1 1288 . 1 1 107 107 ILE HD11 H 1 0.590 0.02 . 1 . . . . . . . . 6225 1 1289 . 1 1 107 107 ILE HD12 H 1 0.590 0.02 . 1 . . . . . . . . 6225 1 1290 . 1 1 107 107 ILE HD13 H 1 0.590 0.02 . 1 . . . . . . . . 6225 1 1291 . 1 1 107 107 ILE CG2 C 13 19.060 0.35 . 1 . . . . . . . . 6225 1 1292 . 1 1 107 107 ILE HG21 H 1 0.810 0.02 . 1 . . . . . . . . 6225 1 1293 . 1 1 107 107 ILE HG22 H 1 0.810 0.02 . 1 . . . . . . . . 6225 1 1294 . 1 1 107 107 ILE HG23 H 1 0.810 0.02 . 1 . . . . . . . . 6225 1 1295 . 1 1 107 107 ILE C C 13 177.590 0.35 . 1 . . . . . . . . 6225 1 1296 . 1 1 108 108 ILE N N 15 117.080 0.10 . 1 . . . . . . . . 6225 1 1297 . 1 1 108 108 ILE H H 1 8.730 0.02 . 1 . . . . . . . . 6225 1 1298 . 1 1 108 108 ILE CA C 13 65.700 0.35 . 1 . . . . . . . . 6225 1 1299 . 1 1 108 108 ILE HA H 1 3.810 0.02 . 1 . . . . . . . . 6225 1 1300 . 1 1 108 108 ILE CB C 13 38.320 0.35 . 1 . . . . . . . . 6225 1 1301 . 1 1 108 108 ILE HB H 1 1.870 0.02 . 1 . . . . . . . . 6225 1 1302 . 1 1 108 108 ILE CG1 C 13 29.000 0.35 . 1 . . . . . . . . 6225 1 1303 . 1 1 108 108 ILE HG13 H 1 1.250 0.02 . 2 . . . . . . . . 6225 1 1304 . 1 1 108 108 ILE HG12 H 1 1.650 0.02 . 2 . . . . . . . . 6225 1 1305 . 1 1 108 108 ILE CD1 C 13 15.300 0.35 . 1 . . . . . . . . 6225 1 1306 . 1 1 108 108 ILE HD11 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 1307 . 1 1 108 108 ILE HD12 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 1308 . 1 1 108 108 ILE HD13 H 1 0.700 0.02 . 1 . . . . . . . . 6225 1 1309 . 1 1 108 108 ILE CG2 C 13 17.270 0.35 . 1 . . . . . . . . 6225 1 1310 . 1 1 108 108 ILE HG21 H 1 0.900 0.02 . 1 . . . . . . . . 6225 1 1311 . 1 1 108 108 ILE HG22 H 1 0.900 0.02 . 1 . . . . . . . . 6225 1 1312 . 1 1 108 108 ILE HG23 H 1 0.900 0.02 . 1 . . . . . . . . 6225 1 1313 . 1 1 108 108 ILE C C 13 179.220 0.35 . 1 . . . . . . . . 6225 1 1314 . 1 1 109 109 SER N N 15 114.650 0.10 . 1 . . . . . . . . 6225 1 1315 . 1 1 109 109 SER H H 1 7.840 0.02 . 1 . . . . . . . . 6225 1 1316 . 1 1 109 109 SER CA C 13 61.740 0.35 . 1 . . . . . . . . 6225 1 1317 . 1 1 109 109 SER HA H 1 4.190 0.02 . 1 . . . . . . . . 6225 1 1318 . 1 1 109 109 SER CB C 13 62.940 0.35 . 1 . . . . . . . . 6225 1 1319 . 1 1 109 109 SER HB3 H 1 3.990 0.02 . 1 . . . . . . . . 6225 1 1320 . 1 1 109 109 SER HB2 H 1 3.990 0.02 . 1 . . . . . . . . 6225 1 1321 . 1 1 109 109 SER C C 13 175.870 0.35 . 1 . . . . . . . . 6225 1 1322 . 1 1 110 110 ARG N N 15 121.110 0.10 . 1 . . . . . . . . 6225 1 1323 . 1 1 110 110 ARG H H 1 7.540 0.02 . 1 . . . . . . . . 6225 1 1324 . 1 1 110 110 ARG CA C 13 58.590 0.35 . 1 . . . . . . . . 6225 1 1325 . 1 1 110 110 ARG HA H 1 4.080 0.02 . 1 . . . . . . . . 6225 1 1326 . 1 1 110 110 ARG CB C 13 29.890 0.35 . 1 . . . . . . . . 6225 1 1327 . 1 1 110 110 ARG HB3 H 1 1.610 0.02 . 1 . . . . . . . . 6225 1 1328 . 1 1 110 110 ARG HB2 H 1 1.610 0.02 . 1 . . . . . . . . 6225 1 1329 . 1 1 110 110 ARG CG C 13 27.000 0.35 . 1 . . . . . . . . 6225 1 1330 . 1 1 110 110 ARG HG3 H 1 1.480 0.02 . 2 . . . . . . . . 6225 1 1331 . 1 1 110 110 ARG HG2 H 1 1.640 0.02 . 2 . . . . . . . . 6225 1 1332 . 1 1 110 110 ARG CD C 13 44.010 0.35 . 1 . . . . . . . . 6225 1 1333 . 1 1 110 110 ARG HD3 H 1 2.960 0.02 . 2 . . . . . . . . 6225 1 1334 . 1 1 110 110 ARG HD2 H 1 3.120 0.02 . 2 . . . . . . . . 6225 1 1335 . 1 1 110 110 ARG NE N 15 111.090 0.10 . 1 . . . . . . . . 6225 1 1336 . 1 1 110 110 ARG HE H 1 7.040 0.02 . 1 . . . . . . . . 6225 1 1337 . 1 1 110 110 ARG C C 13 178.350 0.35 . 1 . . . . . . . . 6225 1 1338 . 1 1 111 111 TYR N N 15 117.120 0.10 . 1 . . . . . . . . 6225 1 1339 . 1 1 111 111 TYR H H 1 7.410 0.02 . 1 . . . . . . . . 6225 1 1340 . 1 1 111 111 TYR CA C 13 57.710 0.35 . 1 . . . . . . . . 6225 1 1341 . 1 1 111 111 TYR HA H 1 4.750 0.02 . 1 . . . . . . . . 6225 1 1342 . 1 1 111 111 TYR CB C 13 37.610 0.35 . 1 . . . . . . . . 6225 1 1343 . 1 1 111 111 TYR HB3 H 1 3.020 0.02 . 2 . . . . . . . . 6225 1 1344 . 1 1 111 111 TYR HB2 H 1 3.370 0.02 . 2 . . . . . . . . 6225 1 1345 . 1 1 111 111 TYR CD1 C 13 132.600 0.35 . 1 . . . . . . . . 6225 1 1346 . 1 1 111 111 TYR HD1 H 1 7.080 0.02 . 1 . . . . . . . . 6225 1 1347 . 1 1 111 111 TYR CE1 C 13 117.900 0.35 . 1 . . . . . . . . 6225 1 1348 . 1 1 111 111 TYR HE1 H 1 6.700 0.02 . 1 . . . . . . . . 6225 1 1349 . 1 1 111 111 TYR CE2 C 13 117.900 0.35 . 1 . . . . . . . . 6225 1 1350 . 1 1 111 111 TYR HE2 H 1 6.700 0.02 . 1 . . . . . . . . 6225 1 1351 . 1 1 111 111 TYR CD2 C 13 132.600 0.35 . 1 . . . . . . . . 6225 1 1352 . 1 1 111 111 TYR HD2 H 1 7.080 0.02 . 1 . . . . . . . . 6225 1 1353 . 1 1 111 111 TYR C C 13 176.810 0.35 . 1 . . . . . . . . 6225 1 1354 . 1 1 112 112 LYS N N 15 120.990 0.10 . 1 . . . . . . . . 6225 1 1355 . 1 1 112 112 LYS H H 1 7.720 0.02 . 1 . . . . . . . . 6225 1 1356 . 1 1 112 112 LYS CA C 13 57.450 0.35 . 1 . . . . . . . . 6225 1 1357 . 1 1 112 112 LYS HA H 1 4.340 0.02 . 1 . . . . . . . . 6225 1 1358 . 1 1 112 112 LYS CB C 13 32.960 0.35 . 1 . . . . . . . . 6225 1 1359 . 1 1 112 112 LYS HB3 H 1 1.910 0.02 . 1 . . . . . . . . 6225 1 1360 . 1 1 112 112 LYS HB2 H 1 1.910 0.02 . 1 . . . . . . . . 6225 1 1361 . 1 1 112 112 LYS CG C 13 24.680 0.35 . 1 . . . . . . . . 6225 1 1362 . 1 1 112 112 LYS HG3 H 1 1.560 0.02 . 2 . . . . . . . . 6225 1 1363 . 1 1 112 112 LYS HG2 H 1 1.610 0.02 . 2 . . . . . . . . 6225 1 1364 . 1 1 112 112 LYS CD C 13 29.130 0.35 . 1 . . . . . . . . 6225 1 1365 . 1 1 112 112 LYS HD3 H 1 1.780 0.02 . 1 . . . . . . . . 6225 1 1366 . 1 1 112 112 LYS HD2 H 1 1.780 0.02 . 1 . . . . . . . . 6225 1 1367 . 1 1 112 112 LYS CE C 13 42.170 0.35 . 1 . . . . . . . . 6225 1 1368 . 1 1 112 112 LYS HE3 H 1 3.070 0.02 . 1 . . . . . . . . 6225 1 1369 . 1 1 112 112 LYS HE2 H 1 3.070 0.02 . 1 . . . . . . . . 6225 1 1370 . 1 1 112 112 LYS C C 13 177.200 0.35 . 1 . . . . . . . . 6225 1 1371 . 1 1 113 113 ASP N N 15 120.860 0.10 . 1 . . . . . . . . 6225 1 1372 . 1 1 113 113 ASP H H 1 8.320 0.02 . 1 . . . . . . . . 6225 1 1373 . 1 1 113 113 ASP CA C 13 54.990 0.35 . 1 . . . . . . . . 6225 1 1374 . 1 1 113 113 ASP HA H 1 4.590 0.02 . 1 . . . . . . . . 6225 1 1375 . 1 1 113 113 ASP CB C 13 41.100 0.35 . 1 . . . . . . . . 6225 1 1376 . 1 1 113 113 ASP HB3 H 1 2.690 0.02 . 2 . . . . . . . . 6225 1 1377 . 1 1 113 113 ASP HB2 H 1 2.730 0.02 . 2 . . . . . . . . 6225 1 1378 . 1 1 113 113 ASP C C 13 176.640 0.35 . 1 . . . . . . . . 6225 1 1379 . 1 1 114 114 ALA N N 15 123.630 0.10 . 1 . . . . . . . . 6225 1 1380 . 1 1 114 114 ALA H H 1 8.040 0.02 . 1 . . . . . . . . 6225 1 1381 . 1 1 114 114 ALA CA C 13 53.100 0.35 . 1 . . . . . . . . 6225 1 1382 . 1 1 114 114 ALA HA H 1 4.300 0.02 . 1 . . . . . . . . 6225 1 1383 . 1 1 114 114 ALA CB C 13 19.220 0.35 . 1 . . . . . . . . 6225 1 1384 . 1 1 114 114 ALA HB1 H 1 1.440 0.02 . 1 . . . . . . . . 6225 1 1385 . 1 1 114 114 ALA HB2 H 1 1.440 0.02 . 1 . . . . . . . . 6225 1 1386 . 1 1 114 114 ALA HB3 H 1 1.440 0.02 . 1 . . . . . . . . 6225 1 1387 . 1 1 114 114 ALA C C 13 177.940 0.35 . 1 . . . . . . . . 6225 1 1388 . 1 1 115 115 ASP N N 15 119.250 0.10 . 1 . . . . . . . . 6225 1 1389 . 1 1 115 115 ASP H H 1 8.210 0.02 . 1 . . . . . . . . 6225 1 1390 . 1 1 115 115 ASP CA C 13 54.720 0.35 . 1 . . . . . . . . 6225 1 1391 . 1 1 115 115 ASP HA H 1 4.600 0.02 . 1 . . . . . . . . 6225 1 1392 . 1 1 115 115 ASP CB C 13 41.370 0.35 . 1 . . . . . . . . 6225 1 1393 . 1 1 115 115 ASP HB3 H 1 2.720 0.02 . 1 . . . . . . . . 6225 1 1394 . 1 1 115 115 ASP HB2 H 1 2.720 0.02 . 1 . . . . . . . . 6225 1 1395 . 1 1 115 115 ASP C C 13 177.000 0.35 . 1 . . . . . . . . 6225 1 1396 . 1 1 116 116 GLY N N 15 108.950 0.10 . 1 . . . . . . . . 6225 1 1397 . 1 1 116 116 GLY H H 1 8.240 0.02 . 1 . . . . . . . . 6225 1 1398 . 1 1 116 116 GLY CA C 13 45.600 0.35 . 1 . . . . . . . . 6225 1 1399 . 1 1 116 116 GLY HA3 H 1 3.950 0.02 . 1 . . . . . . . . 6225 1 1400 . 1 1 116 116 GLY HA2 H 1 3.950 0.02 . 1 . . . . . . . . 6225 1 1401 . 1 1 116 116 GLY C C 13 174.300 0.35 . 1 . . . . . . . . 6225 1 1402 . 1 1 117 117 ASN N N 15 118.820 0.10 . 1 . . . . . . . . 6225 1 1403 . 1 1 117 117 ASN H H 1 8.320 0.02 . 1 . . . . . . . . 6225 1 1404 . 1 1 117 117 ASN CA C 13 53.590 0.35 . 1 . . . . . . . . 6225 1 1405 . 1 1 117 117 ASN HA H 1 4.800 0.02 . 1 . . . . . . . . 6225 1 1406 . 1 1 117 117 ASN CB C 13 39.310 0.35 . 1 . . . . . . . . 6225 1 1407 . 1 1 117 117 ASN HB3 H 1 2.770 0.02 . 2 . . . . . . . . 6225 1 1408 . 1 1 117 117 ASN HB2 H 1 2.840 0.02 . 2 . . . . . . . . 6225 1 1409 . 1 1 117 117 ASN CG C 13 177.200 0.35 . 1 . . . . . . . . 6225 1 1410 . 1 1 117 117 ASN ND2 N 15 113.510 0.10 . 1 . . . . . . . . 6225 1 1411 . 1 1 117 117 ASN HD21 H 1 7.640 0.02 . 2 . . . . . . . . 6225 1 1412 . 1 1 117 117 ASN HD22 H 1 6.930 0.02 . 2 . . . . . . . . 6225 1 1413 . 1 1 117 117 ASN C C 13 175.290 0.35 . 1 . . . . . . . . 6225 1 1414 . 1 1 118 118 SER N N 15 116.650 0.10 . 1 . . . . . . . . 6225 1 1415 . 1 1 118 118 SER H H 1 8.320 0.02 . 1 . . . . . . . . 6225 1 1416 . 1 1 118 118 SER CA C 13 58.500 0.35 . 1 . . . . . . . . 6225 1 1417 . 1 1 118 118 SER HA H 1 4.520 0.02 . 1 . . . . . . . . 6225 1 1418 . 1 1 118 118 SER CB C 13 64.060 0.35 . 1 . . . . . . . . 6225 1 1419 . 1 1 118 118 SER HB3 H 1 3.870 0.02 . 1 . . . . . . . . 6225 1 1420 . 1 1 118 118 SER HB2 H 1 3.900 0.02 . 1 . . . . . . . . 6225 1 1421 . 1 1 118 118 SER C C 13 173.730 0.35 . 1 . . . . . . . . 6225 1 1422 . 1 1 119 119 SER N N 15 123.300 0.10 . 1 . . . . . . . . 6225 1 1423 . 1 1 119 119 SER H H 1 8.010 0.02 . 1 . . . . . . . . 6225 1 1424 . 1 1 119 119 SER CA C 13 60.100 0.35 . 1 . . . . . . . . 6225 1 1425 . 1 1 119 119 SER HA H 1 4.270 0.02 . 1 . . . . . . . . 6225 1 1426 . 1 1 119 119 SER CB C 13 64.840 0.35 . 1 . . . . . . . . 6225 1 1427 . 1 1 119 119 SER HB3 H 1 3.820 0.02 . 1 . . . . . . . . 6225 1 1428 . 1 1 119 119 SER HB2 H 1 3.820 0.02 . 1 . . . . . . . . 6225 1 stop_ save_