data_16052 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16052 _Entry.Title ; Assignment of 1HN, 13C, and 15N chemical shift resonances for the STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-04 _Entry.Accession_date 2008-12-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alok Sharma . K. . 16052 2 Liwen Ye . . . 16052 3 Alexander Zolotarev . S. . 16052 4 Seth Alper . L. . 16052 5 Alan Rigby . C. . 16052 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16052 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 16052 '15N chemical shifts' 122 16052 '1H chemical shifts' 875 16052 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 5 . . 2013-07-26 2008-12-04 update BMRB 'delete shift of 112 MET CE 2.137' 16052 4 . . 2009-08-20 2008-12-04 update BMRB 'added PubMed ID' 16052 3 . . 2009-07-20 2008-12-04 update author 'update chemical shift table' 16052 2 . . 2009-06-05 2008-12-04 update BMRB 'completed entry citation' 16052 1 . . 2009-03-23 2008-12-04 original author 'original release' 16052 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16052 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636956 _Citation.Full_citation . _Citation.Title 'NMR assignment and secondary structure of the STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 99 _Citation.Page_last 102 _Citation.Year 2009 _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 Alok Sharma . K. . 16052 1 2 Liwen Ye . . . 16052 1 3 Alexander Zolotarev . S. . 16052 1 4 Seth Alper . L. . 16052 1 5 Alan Rigby . C. . 16052 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16052 _Assembly.ID 1 _Assembly.Name 'STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'STAS domain of Rv1739c' 1 $STAS_domain_of_Rv1739C A . yes native no no . . . 16052 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_STAS_domain_of_Rv1739C _Entity.Sf_category entity _Entity.Sf_framecode STAS_domain_of_Rv1739C _Entity.Entry_ID 16052 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name STAS_domain_of_Rv1739C _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 ; MHDIDDYPQAKRVPGLVVYR YDAPLCFANAEDFRRRALTV VDQDPGQVEWFVLNAESNVE VDLTALDALDQLRTELLRRG IVFAMARVKQDLRESLRAAS LLDKIGEDHIFMTLPTAVQA FRRRHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KLN . "Solution Structure Of Stas Domain Of Rv1739c From M. Tuberculosis" . . . . . 100.00 130 100.00 100.00 2.39e-88 . . . . 16052 1 2 no DBJ BAH26041 . "putative sulphate-transport transmembrane protein ABC transporter [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 3 no DBJ BAL65707 . "sulphate-transport transmembrane protein ABCtransporter [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 4 no DBJ BAQ05756 . "sulphate-transport transmembrane protein ABC transporter [Mycobacterium tuberculosis str. Kurono]" . . . . . 95.38 560 99.19 99.19 6.43e-80 . . . . 16052 1 5 no DBJ GAA45466 . "sulphate-transport transmembrane protein ABC transporter [Mycobacterium tuberculosis NCGM2209]" . . . . . 95.38 560 100.00 100.00 1.35e-80 . . . . 16052 1 6 no EMBL CAL71765 . "Probable sulphate-transport transmembrane protein ABC transporter [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 7 no EMBL CCC26828 . "putative sulphate-transport transmembrane protein ABC transporter [Mycobacterium africanum GM041182]" . . . . . 95.38 560 99.19 99.19 6.43e-80 . . . . 16052 1 8 no EMBL CCC44085 . "putative sulphate-transport transmembrane protein ABC transporter [Mycobacterium canettii CIPT 140010059]" . . . . . 95.38 560 99.19 99.19 9.43e-80 . . . . 16052 1 9 no EMBL CCC64338 . "probable sulphate-transport transmembrane protein ABC transporter [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 10 no EMBL CCE37238 . "unnamed protein product [Mycobacterium tuberculosis UT205]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 11 no GB AAK46054 . "sulfate transporter [Mycobacterium tuberculosis CDC1551]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 12 no GB ABQ73499 . "sulfate transporter [Mycobacterium tuberculosis H37Ra]" . . . . . 95.38 560 100.00 100.00 1.54e-80 . . . . 16052 1 13 no GB ABR06098 . "hypothetical sulphate-transport transmembrane protein ABC transporter [Mycobacterium tuberculosis F11]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 14 no GB ACT25325 . "sulphate-transport transmembrane protein ABC transporter [Mycobacterium tuberculosis KZN 1435]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 15 no GB AEB04397 . "sulphate-transport transmembrane protein ABC transporter [Mycobacterium tuberculosis KZN 4207]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 16 no REF NP_216255 . "sulfate ABC transporter permease [Mycobacterium tuberculosis H37Rv]" . . . . . 95.38 560 100.00 100.00 1.54e-80 . . . . 16052 1 17 no REF NP_855420 . "sulfate ABC transporter transmembrane protein [Mycobacterium bovis AF2122/97]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 18 no REF WP_003408524 . "sulfate transporter [Mycobacterium orygis]" . . . . . 95.38 560 100.00 100.00 9.94e-81 . . . . 16052 1 19 no REF WP_003898994 . "MULTISPECIES: sulfate transporter [Mycobacterium tuberculosis complex]" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 20 no REF WP_003901239 . "sulfate transporter [Mycobacterium tuberculosis]" . . . . . 95.38 560 100.00 100.00 1.35e-80 . . . . 16052 1 21 no SP P9WGF6 . "RecName: Full=Probable sulfate transporter MT1781" . . . . . 95.38 560 100.00 100.00 1.26e-80 . . . . 16052 1 22 no SP P9WGF7 . "RecName: Full=Probable sulfate transporter Rv1739c" . . . . . 95.38 560 100.00 100.00 1.54e-80 . . . . 16052 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 . MET . 16052 1 2 . HIS . 16052 1 3 . ASP . 16052 1 4 . ILE . 16052 1 5 . ASP . 16052 1 6 . ASP . 16052 1 7 . TYR . 16052 1 8 . PRO . 16052 1 9 . GLN . 16052 1 10 . ALA . 16052 1 11 . LYS . 16052 1 12 . ARG . 16052 1 13 . VAL . 16052 1 14 . PRO . 16052 1 15 . GLY . 16052 1 16 . LEU . 16052 1 17 . VAL . 16052 1 18 . VAL . 16052 1 19 . TYR . 16052 1 20 . ARG . 16052 1 21 . TYR . 16052 1 22 . ASP . 16052 1 23 . ALA . 16052 1 24 . PRO . 16052 1 25 . LEU . 16052 1 26 . CYS . 16052 1 27 . PHE . 16052 1 28 . ALA . 16052 1 29 . ASN . 16052 1 30 . ALA . 16052 1 31 . GLU . 16052 1 32 . ASP . 16052 1 33 . PHE . 16052 1 34 . ARG . 16052 1 35 . ARG . 16052 1 36 . ARG . 16052 1 37 . ALA . 16052 1 38 . LEU . 16052 1 39 . THR . 16052 1 40 . VAL . 16052 1 41 . VAL . 16052 1 42 . ASP . 16052 1 43 . GLN . 16052 1 44 . ASP . 16052 1 45 . PRO . 16052 1 46 . GLY . 16052 1 47 . GLN . 16052 1 48 . VAL . 16052 1 49 . GLU . 16052 1 50 . TRP . 16052 1 51 . PHE . 16052 1 52 . VAL . 16052 1 53 . LEU . 16052 1 54 . ASN . 16052 1 55 . ALA . 16052 1 56 . GLU . 16052 1 57 . SER . 16052 1 58 . ASN . 16052 1 59 . VAL . 16052 1 60 . GLU . 16052 1 61 . VAL . 16052 1 62 . ASP . 16052 1 63 . LEU . 16052 1 64 . THR . 16052 1 65 . ALA . 16052 1 66 . LEU . 16052 1 67 . ASP . 16052 1 68 . ALA . 16052 1 69 . LEU . 16052 1 70 . ASP . 16052 1 71 . GLN . 16052 1 72 . LEU . 16052 1 73 . ARG . 16052 1 74 . THR . 16052 1 75 . GLU . 16052 1 76 . LEU . 16052 1 77 . LEU . 16052 1 78 . ARG . 16052 1 79 . ARG . 16052 1 80 . GLY . 16052 1 81 . ILE . 16052 1 82 . VAL . 16052 1 83 . PHE . 16052 1 84 . ALA . 16052 1 85 . MET . 16052 1 86 . ALA . 16052 1 87 . ARG . 16052 1 88 . VAL . 16052 1 89 . LYS . 16052 1 90 . GLN . 16052 1 91 . ASP . 16052 1 92 . LEU . 16052 1 93 . ARG . 16052 1 94 . GLU . 16052 1 95 . SER . 16052 1 96 . LEU . 16052 1 97 . ARG . 16052 1 98 . ALA . 16052 1 99 . ALA . 16052 1 100 . SER . 16052 1 101 . LEU . 16052 1 102 . LEU . 16052 1 103 . ASP . 16052 1 104 . LYS . 16052 1 105 . ILE . 16052 1 106 . GLY . 16052 1 107 . GLU . 16052 1 108 . ASP . 16052 1 109 . HIS . 16052 1 110 . ILE . 16052 1 111 . PHE . 16052 1 112 . MET . 16052 1 113 . THR . 16052 1 114 . LEU . 16052 1 115 . PRO . 16052 1 116 . THR . 16052 1 117 . ALA . 16052 1 118 . VAL . 16052 1 119 . GLN . 16052 1 120 . ALA . 16052 1 121 . PHE . 16052 1 122 . ARG . 16052 1 123 . ARG . 16052 1 124 . ARG . 16052 1 125 . HIS . 16052 1 126 . HIS . 16052 1 127 . HIS . 16052 1 128 . HIS . 16052 1 129 . HIS . 16052 1 130 . HIS . 16052 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 . MET 1 1 16052 1 . HIS 2 2 16052 1 . ASP 3 3 16052 1 . ILE 4 4 16052 1 . ASP 5 5 16052 1 . ASP 6 6 16052 1 . TYR 7 7 16052 1 . PRO 8 8 16052 1 . GLN 9 9 16052 1 . ALA 10 10 16052 1 . LYS 11 11 16052 1 . ARG 12 12 16052 1 . VAL 13 13 16052 1 . PRO 14 14 16052 1 . GLY 15 15 16052 1 . LEU 16 16 16052 1 . VAL 17 17 16052 1 . VAL 18 18 16052 1 . TYR 19 19 16052 1 . ARG 20 20 16052 1 . TYR 21 21 16052 1 . ASP 22 22 16052 1 . ALA 23 23 16052 1 . PRO 24 24 16052 1 . LEU 25 25 16052 1 . CYS 26 26 16052 1 . PHE 27 27 16052 1 . ALA 28 28 16052 1 . ASN 29 29 16052 1 . ALA 30 30 16052 1 . GLU 31 31 16052 1 . ASP 32 32 16052 1 . PHE 33 33 16052 1 . ARG 34 34 16052 1 . ARG 35 35 16052 1 . ARG 36 36 16052 1 . ALA 37 37 16052 1 . LEU 38 38 16052 1 . THR 39 39 16052 1 . VAL 40 40 16052 1 . VAL 41 41 16052 1 . ASP 42 42 16052 1 . GLN 43 43 16052 1 . ASP 44 44 16052 1 . PRO 45 45 16052 1 . GLY 46 46 16052 1 . GLN 47 47 16052 1 . VAL 48 48 16052 1 . GLU 49 49 16052 1 . TRP 50 50 16052 1 . PHE 51 51 16052 1 . VAL 52 52 16052 1 . LEU 53 53 16052 1 . ASN 54 54 16052 1 . ALA 55 55 16052 1 . GLU 56 56 16052 1 . SER 57 57 16052 1 . ASN 58 58 16052 1 . VAL 59 59 16052 1 . GLU 60 60 16052 1 . VAL 61 61 16052 1 . ASP 62 62 16052 1 . LEU 63 63 16052 1 . THR 64 64 16052 1 . ALA 65 65 16052 1 . LEU 66 66 16052 1 . ASP 67 67 16052 1 . ALA 68 68 16052 1 . LEU 69 69 16052 1 . ASP 70 70 16052 1 . GLN 71 71 16052 1 . LEU 72 72 16052 1 . ARG 73 73 16052 1 . THR 74 74 16052 1 . GLU 75 75 16052 1 . LEU 76 76 16052 1 . LEU 77 77 16052 1 . ARG 78 78 16052 1 . ARG 79 79 16052 1 . GLY 80 80 16052 1 . ILE 81 81 16052 1 . VAL 82 82 16052 1 . PHE 83 83 16052 1 . ALA 84 84 16052 1 . MET 85 85 16052 1 . ALA 86 86 16052 1 . ARG 87 87 16052 1 . VAL 88 88 16052 1 . LYS 89 89 16052 1 . GLN 90 90 16052 1 . ASP 91 91 16052 1 . LEU 92 92 16052 1 . ARG 93 93 16052 1 . GLU 94 94 16052 1 . SER 95 95 16052 1 . LEU 96 96 16052 1 . ARG 97 97 16052 1 . ALA 98 98 16052 1 . ALA 99 99 16052 1 . SER 100 100 16052 1 . LEU 101 101 16052 1 . LEU 102 102 16052 1 . ASP 103 103 16052 1 . LYS 104 104 16052 1 . ILE 105 105 16052 1 . GLY 106 106 16052 1 . GLU 107 107 16052 1 . ASP 108 108 16052 1 . HIS 109 109 16052 1 . ILE 110 110 16052 1 . PHE 111 111 16052 1 . MET 112 112 16052 1 . THR 113 113 16052 1 . LEU 114 114 16052 1 . PRO 115 115 16052 1 . THR 116 116 16052 1 . ALA 117 117 16052 1 . VAL 118 118 16052 1 . GLN 119 119 16052 1 . ALA 120 120 16052 1 . PHE 121 121 16052 1 . ARG 122 122 16052 1 . ARG 123 123 16052 1 . ARG 124 124 16052 1 . HIS 125 125 16052 1 . HIS 126 126 16052 1 . HIS 127 127 16052 1 . HIS 128 128 16052 1 . HIS 129 129 16052 1 . HIS 130 130 16052 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 16052 _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 $STAS_domain_of_Rv1739C . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 16052 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 16052 _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 $STAS_domain_of_Rv1739C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETBlue-1 . . . . . . 16052 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16052 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample of STAS domain consists of 50mM sodium phosphate, 275mM NaCl, pH7.2, 2mMDTT-d10, 0.25mM DSS, and 0.05% (w/v) NaN3.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'STAS domain of Rv1739C' '[U-100% 13C; U-100% 15N]' . . 1 $STAS_domain_of_Rv1739C . . . 0.6 0.8 mM . . . . 16052 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16052 1 3 'sodium chloride' 'natural abundance' . . . . . . 275 . . mM . . . . 16052 1 4 DTT-d10 'natural abundance' . . . . . . 2 . . mM . . . . 16052 1 5 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 16052 1 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . %w/v . . . . 16052 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16052 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 275 . mM 16052 1 pH 7.2 . pH 16052 1 pressure 1.0 . atm 16052 1 temperature 298 . K 16052 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16052 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2007.030.16.06 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 16052 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16052 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16052 _Software.ID 2 _Software.Name NMRDraw _Software.Version '3.0 Rev 2007.068.09.07' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 16052 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16052 2 'peak picking' 16052 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 16052 _Software.ID 3 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . http://www.bio.cam.ac.uk/nmr/ansig3.3/ansig.html 16052 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16052 3 'data analysis' 16052 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16052 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance DRX-600 NMR Spectrometer is equipped with a 14.1 Tesla 5.2 cm bore Bruker Ultra Shield magnet (reduced stray field), triple resonance 5mm probe with triple axis gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16052 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'Bruker Avance DRX-600 NMR Spectrometer is equipped with a 14.1 Tesla 5.2 cm bore Bruker Ultra Shield magnet (reduced stray field), triple resonance 5mm probe with triple axis gradients' . . 16052 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 16052 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 11 '3D HC(CO)NH, HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 12 15N-TOCSY-HSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 13 '1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16052 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16052 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16052 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16052 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16052 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16052 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16052 1 2 '3D HNCACB' . . . 16052 1 3 '3D HN(CO)CACB' . . . 16052 1 4 '3D C(CO)NH' . . . 16052 1 5 '3D HNCA' . . . 16052 1 6 '3D HN(CO)CA' . . . 16052 1 7 '3D HNCO' . . . 16052 1 8 '3D HN(CA)CO' . . . 16052 1 9 '3D 1H-15N NOESY' . . . 16052 1 10 '2D 1H-1H NOESY' . . . 16052 1 11 '3D HC(CO)NH, HCCH-TOCSY' . . . 16052 1 12 15N-TOCSY-HSQC . . . 16052 1 13 '1H-13C NOESY' . . . 16052 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 2 2 HIS HA H 1 4.624 0.020 . 1 . . . . 2 HIS HA . 16052 1 2 . 1 1 2 2 HIS C C 13 174.630 0.400 . 1 . . . . 2 HIS C . 16052 1 3 . 1 1 2 2 HIS CA C 13 56.540 0.400 . 1 . . . . 2 HIS CA . 16052 1 4 . 1 1 2 2 HIS CB C 13 30.790 0.400 . 1 . . . . 2 HIS CB . 16052 1 5 . 1 1 3 3 ASP H H 1 8.464 0.020 . 1 . . . . 3 ASP H . 16052 1 6 . 1 1 3 3 ASP HA H 1 4.557 0.020 . 1 . . . . 3 ASP HA . 16052 1 7 . 1 1 3 3 ASP HB2 H 1 2.594 0.020 . 2 . . . . 3 ASP HB2 . 16052 1 8 . 1 1 3 3 ASP HB3 H 1 2.594 0.020 . 2 . . . . 3 ASP HB3 . 16052 1 9 . 1 1 3 3 ASP C C 13 176.170 0.400 . 1 . . . . 3 ASP C . 16052 1 10 . 1 1 3 3 ASP CA C 13 54.760 0.400 . 1 . . . . 3 ASP CA . 16052 1 11 . 1 1 3 3 ASP CB C 13 41.600 0.400 . 1 . . . . 3 ASP CB . 16052 1 12 . 1 1 3 3 ASP N N 15 121.960 0.400 . 1 . . . . 3 ASP N . 16052 1 13 . 1 1 4 4 ILE H H 1 8.115 0.020 . 1 . . . . 4 ILE H . 16052 1 14 . 1 1 4 4 ILE HA H 1 4.117 0.020 . 1 . . . . 4 ILE HA . 16052 1 15 . 1 1 4 4 ILE HB H 1 1.827 0.020 . 1 . . . . 4 ILE HB . 16052 1 16 . 1 1 4 4 ILE HD11 H 1 0.838 0.020 . 1 . . . . 4 ILE HD1 . 16052 1 17 . 1 1 4 4 ILE HD12 H 1 0.838 0.020 . 1 . . . . 4 ILE HD1 . 16052 1 18 . 1 1 4 4 ILE HD13 H 1 0.838 0.020 . 1 . . . . 4 ILE HD1 . 16052 1 19 . 1 1 4 4 ILE HG12 H 1 1.125 0.020 . 2 . . . . 4 ILE HG12 . 16052 1 20 . 1 1 4 4 ILE HG13 H 1 1.392 0.020 . 2 . . . . 4 ILE HG13 . 16052 1 21 . 1 1 4 4 ILE HG21 H 1 0.623 0.020 . 1 . . . . 4 ILE HG2 . 16052 1 22 . 1 1 4 4 ILE HG22 H 1 0.623 0.020 . 1 . . . . 4 ILE HG2 . 16052 1 23 . 1 1 4 4 ILE HG23 H 1 0.623 0.020 . 1 . . . . 4 ILE HG2 . 16052 1 24 . 1 1 4 4 ILE C C 13 175.900 0.400 . 1 . . . . 4 ILE C . 16052 1 25 . 1 1 4 4 ILE CA C 13 61.780 0.400 . 1 . . . . 4 ILE CA . 16052 1 26 . 1 1 4 4 ILE CB C 13 39.230 0.400 . 1 . . . . 4 ILE CB . 16052 1 27 . 1 1 4 4 ILE CD1 C 13 13.320 0.400 . 1 . . . . 4 ILE CD1 . 16052 1 28 . 1 1 4 4 ILE CG1 C 13 27.250 0.400 . 1 . . . . 4 ILE CG1 . 16052 1 29 . 1 1 4 4 ILE CG2 C 13 17.650 0.400 . 1 . . . . 4 ILE CG2 . 16052 1 30 . 1 1 4 4 ILE N N 15 120.110 0.400 . 1 . . . . 4 ILE N . 16052 1 31 . 1 1 5 5 ASP H H 1 8.291 0.020 . 1 . . . . 5 ASP H . 16052 1 32 . 1 1 5 5 ASP HA H 1 4.562 0.020 . 1 . . . . 5 ASP HA . 16052 1 33 . 1 1 5 5 ASP HB2 H 1 2.631 0.020 . 2 . . . . 5 ASP HB2 . 16052 1 34 . 1 1 5 5 ASP HB3 H 1 2.531 0.020 . 2 . . . . 5 ASP HB3 . 16052 1 35 . 1 1 5 5 ASP C C 13 175.600 0.400 . 1 . . . . 5 ASP C . 16052 1 36 . 1 1 5 5 ASP CA C 13 54.760 0.400 . 1 . . . . 5 ASP CA . 16052 1 37 . 1 1 5 5 ASP CB C 13 41.560 0.400 . 1 . . . . 5 ASP CB . 16052 1 38 . 1 1 5 5 ASP N N 15 123.300 0.400 . 1 . . . . 5 ASP N . 16052 1 39 . 1 1 6 6 ASP H H 1 8.064 0.020 . 1 . . . . 6 ASP H . 16052 1 40 . 1 1 6 6 ASP HA H 1 4.525 0.020 . 1 . . . . 6 ASP HA . 16052 1 41 . 1 1 6 6 ASP HB2 H 1 2.630 0.020 . 2 . . . . 6 ASP HB2 . 16052 1 42 . 1 1 6 6 ASP HB3 H 1 2.514 0.020 . 2 . . . . 6 ASP HB3 . 16052 1 43 . 1 1 6 6 ASP C C 13 175.420 0.400 . 1 . . . . 6 ASP C . 16052 1 44 . 1 1 6 6 ASP CA C 13 54.600 0.400 . 1 . . . . 6 ASP CA . 16052 1 45 . 1 1 6 6 ASP CB C 13 41.600 0.400 . 1 . . . . 6 ASP CB . 16052 1 46 . 1 1 6 6 ASP N N 15 120.410 0.400 . 1 . . . . 6 ASP N . 16052 1 47 . 1 1 7 7 TYR H H 1 8.076 0.020 . 1 . . . . 7 TYR H . 16052 1 48 . 1 1 7 7 TYR HA H 1 4.372 0.020 . 1 . . . . 7 TYR HA . 16052 1 49 . 1 1 7 7 TYR HB2 H 1 3.003 0.020 . 2 . . . . 7 TYR HB2 . 16052 1 50 . 1 1 7 7 TYR HB3 H 1 2.790 0.020 . 2 . . . . 7 TYR HB3 . 16052 1 51 . 1 1 7 7 TYR HD1 H 1 7.054 0.020 . 1 . . . . 7 TYR HD1 . 16052 1 52 . 1 1 7 7 TYR HD2 H 1 7.054 0.020 . 1 . . . . 7 TYR HD2 . 16052 1 53 . 1 1 7 7 TYR HE1 H 1 6.804 0.020 . 1 . . . . 7 TYR HE1 . 16052 1 54 . 1 1 7 7 TYR HE2 H 1 6.804 0.020 . 1 . . . . 7 TYR HE2 . 16052 1 55 . 1 1 7 7 TYR C C 13 173.550 0.400 . 1 . . . . 7 TYR C . 16052 1 56 . 1 1 7 7 TYR CA C 13 56.360 0.400 . 1 . . . . 7 TYR CA . 16052 1 57 . 1 1 7 7 TYR CB C 13 38.630 0.400 . 1 . . . . 7 TYR CB . 16052 1 58 . 1 1 7 7 TYR N N 15 121.090 0.400 . 1 . . . . 7 TYR N . 16052 1 59 . 1 1 8 8 PRO HA H 1 4.355 0.020 . 1 . . . . 8 PRO HA . 16052 1 60 . 1 1 8 8 PRO HB2 H 1 2.200 0.020 . 2 . . . . 8 PRO HB2 . 16052 1 61 . 1 1 8 8 PRO HB3 H 1 1.840 0.020 . 2 . . . . 8 PRO HB3 . 16052 1 62 . 1 1 8 8 PRO HD2 H 1 3.813 0.020 . 2 . . . . 8 PRO HD2 . 16052 1 63 . 1 1 8 8 PRO HD3 H 1 3.813 0.020 . 2 . . . . 8 PRO HD3 . 16052 1 64 . 1 1 8 8 PRO HG2 H 1 2.031 0.020 . 2 . . . . 8 PRO HG2 . 16052 1 65 . 1 1 8 8 PRO HG3 H 1 2.031 0.020 . 2 . . . . 8 PRO HG3 . 16052 1 66 . 1 1 8 8 PRO C C 13 177.160 0.400 . 1 . . . . 8 PRO C . 16052 1 67 . 1 1 8 8 PRO CA C 13 63.900 0.400 . 1 . . . . 8 PRO CA . 16052 1 68 . 1 1 8 8 PRO CB C 13 32.050 0.400 . 1 . . . . 8 PRO CB . 16052 1 69 . 1 1 8 8 PRO CD C 13 50.620 0.400 . 1 . . . . 8 PRO CD . 16052 1 70 . 1 1 8 8 PRO CG C 13 27.370 0.400 . 1 . . . . 8 PRO CG . 16052 1 71 . 1 1 9 9 GLN H H 1 8.333 0.020 . 1 . . . . 9 GLN H . 16052 1 72 . 1 1 9 9 GLN HA H 1 4.084 0.020 . 1 . . . . 9 GLN HA . 16052 1 73 . 1 1 9 9 GLN HB2 H 1 1.890 0.020 . 2 . . . . 9 GLN HB2 . 16052 1 74 . 1 1 9 9 GLN HB3 H 1 1.890 0.020 . 2 . . . . 9 GLN HB3 . 16052 1 75 . 1 1 9 9 GLN HE21 H 1 6.794 0.020 . 2 . . . . 9 GLN HE21 . 16052 1 76 . 1 1 9 9 GLN HE22 H 1 7.532 0.020 . 2 . . . . 9 GLN HE22 . 16052 1 77 . 1 1 9 9 GLN HG2 H 1 2.342 0.020 . 2 . . . . 9 GLN HG2 . 16052 1 78 . 1 1 9 9 GLN HG3 H 1 2.342 0.020 . 2 . . . . 9 GLN HG3 . 16052 1 79 . 1 1 9 9 GLN C C 13 176.230 0.400 . 1 . . . . 9 GLN C . 16052 1 80 . 1 1 9 9 GLN CA C 13 57.120 0.400 . 1 . . . . 9 GLN CA . 16052 1 81 . 1 1 9 9 GLN CB C 13 29.180 0.400 . 1 . . . . 9 GLN CB . 16052 1 82 . 1 1 9 9 GLN CG C 13 33.940 0.400 . 1 . . . . 9 GLN CG . 16052 1 83 . 1 1 9 9 GLN N N 15 119.710 0.400 . 1 . . . . 9 GLN N . 16052 1 84 . 1 1 9 9 GLN NE2 N 15 112.460 0.400 . 1 . . . . 9 GLN NE2 . 16052 1 85 . 1 1 10 10 ALA H H 1 8.134 0.020 . 1 . . . . 10 ALA H . 16052 1 86 . 1 1 10 10 ALA HA H 1 4.193 0.020 . 1 . . . . 10 ALA HA . 16052 1 87 . 1 1 10 10 ALA HB1 H 1 1.332 0.020 . 1 . . . . 10 ALA HB . 16052 1 88 . 1 1 10 10 ALA HB2 H 1 1.332 0.020 . 1 . . . . 10 ALA HB . 16052 1 89 . 1 1 10 10 ALA HB3 H 1 1.332 0.020 . 1 . . . . 10 ALA HB . 16052 1 90 . 1 1 10 10 ALA C C 13 177.530 0.400 . 1 . . . . 10 ALA C . 16052 1 91 . 1 1 10 10 ALA CA C 13 53.170 0.400 . 1 . . . . 10 ALA CA . 16052 1 92 . 1 1 10 10 ALA CB C 13 19.440 0.400 . 1 . . . . 10 ALA CB . 16052 1 93 . 1 1 10 10 ALA N N 15 122.850 0.400 . 1 . . . . 10 ALA N . 16052 1 94 . 1 1 11 11 LYS H H 1 7.892 0.020 . 1 . . . . 11 LYS H . 16052 1 95 . 1 1 11 11 LYS HA H 1 4.248 0.020 . 1 . . . . 11 LYS HA . 16052 1 96 . 1 1 11 11 LYS HB2 H 1 1.828 0.020 . 2 . . . . 11 LYS HB2 . 16052 1 97 . 1 1 11 11 LYS HB3 H 1 1.621 0.020 . 2 . . . . 11 LYS HB3 . 16052 1 98 . 1 1 11 11 LYS HD2 H 1 1.618 0.020 . 2 . . . . 11 LYS HD2 . 16052 1 99 . 1 1 11 11 LYS HD3 H 1 1.618 0.020 . 2 . . . . 11 LYS HD3 . 16052 1 100 . 1 1 11 11 LYS HE2 H 1 2.940 0.020 . 2 . . . . 11 LYS HE2 . 16052 1 101 . 1 1 11 11 LYS HE3 H 1 2.940 0.020 . 2 . . . . 11 LYS HE3 . 16052 1 102 . 1 1 11 11 LYS HG2 H 1 1.359 0.020 . 2 . . . . 11 LYS HG2 . 16052 1 103 . 1 1 11 11 LYS HG3 H 1 1.359 0.020 . 2 . . . . 11 LYS HG3 . 16052 1 104 . 1 1 11 11 LYS C C 13 175.970 0.400 . 1 . . . . 11 LYS C . 16052 1 105 . 1 1 11 11 LYS CA C 13 56.210 0.400 . 1 . . . . 11 LYS CA . 16052 1 106 . 1 1 11 11 LYS CB C 13 33.340 0.400 . 1 . . . . 11 LYS CB . 16052 1 107 . 1 1 11 11 LYS CD C 13 29.110 0.400 . 1 . . . . 11 LYS CD . 16052 1 108 . 1 1 11 11 LYS CE C 13 42.270 0.400 . 1 . . . . 11 LYS CE . 16052 1 109 . 1 1 11 11 LYS CG C 13 24.890 0.400 . 1 . . . . 11 LYS CG . 16052 1 110 . 1 1 11 11 LYS N N 15 118.930 0.400 . 1 . . . . 11 LYS N . 16052 1 111 . 1 1 12 12 ARG H H 1 8.012 0.020 . 1 . . . . 12 ARG H . 16052 1 112 . 1 1 12 12 ARG HA H 1 4.179 0.020 . 1 . . . . 12 ARG HA . 16052 1 113 . 1 1 12 12 ARG HB2 H 1 1.730 0.020 . 2 . . . . 12 ARG HB2 . 16052 1 114 . 1 1 12 12 ARG HB3 H 1 1.730 0.020 . 2 . . . . 12 ARG HB3 . 16052 1 115 . 1 1 12 12 ARG HD2 H 1 3.140 0.020 . 2 . . . . 12 ARG HD2 . 16052 1 116 . 1 1 12 12 ARG HD3 H 1 3.140 0.020 . 2 . . . . 12 ARG HD3 . 16052 1 117 . 1 1 12 12 ARG HG2 H 1 1.311 0.020 . 2 . . . . 12 ARG HG2 . 16052 1 118 . 1 1 12 12 ARG HG3 H 1 1.311 0.020 . 2 . . . . 12 ARG HG3 . 16052 1 119 . 1 1 12 12 ARG C C 13 175.710 0.400 . 1 . . . . 12 ARG C . 16052 1 120 . 1 1 12 12 ARG CA C 13 56.440 0.400 . 1 . . . . 12 ARG CA . 16052 1 121 . 1 1 12 12 ARG CB C 13 30.910 0.400 . 1 . . . . 12 ARG CB . 16052 1 122 . 1 1 12 12 ARG CD C 13 43.060 0.400 . 1 . . . . 12 ARG CD . 16052 1 123 . 1 1 12 12 ARG CG C 13 27.350 0.400 . 1 . . . . 12 ARG CG . 16052 1 124 . 1 1 12 12 ARG N N 15 121.960 0.400 . 1 . . . . 12 ARG N . 16052 1 125 . 1 1 13 13 VAL H H 1 8.727 0.020 . 1 . . . . 13 VAL H . 16052 1 126 . 1 1 13 13 VAL HA H 1 4.401 0.020 . 1 . . . . 13 VAL HA . 16052 1 127 . 1 1 13 13 VAL HB H 1 1.941 0.020 . 1 . . . . 13 VAL HB . 16052 1 128 . 1 1 13 13 VAL HG11 H 1 0.831 0.020 . 2 . . . . 13 VAL HG1 . 16052 1 129 . 1 1 13 13 VAL HG12 H 1 0.831 0.020 . 2 . . . . 13 VAL HG1 . 16052 1 130 . 1 1 13 13 VAL HG13 H 1 0.831 0.020 . 2 . . . . 13 VAL HG1 . 16052 1 131 . 1 1 13 13 VAL HG21 H 1 0.831 0.020 . 2 . . . . 13 VAL HG2 . 16052 1 132 . 1 1 13 13 VAL HG22 H 1 0.831 0.020 . 2 . . . . 13 VAL HG2 . 16052 1 133 . 1 1 13 13 VAL HG23 H 1 0.831 0.020 . 2 . . . . 13 VAL HG2 . 16052 1 134 . 1 1 13 13 VAL C C 13 173.210 0.400 . 1 . . . . 13 VAL C . 16052 1 135 . 1 1 13 13 VAL CA C 13 59.670 0.400 . 1 . . . . 13 VAL CA . 16052 1 136 . 1 1 13 13 VAL CB C 13 33.220 0.400 . 1 . . . . 13 VAL CB . 16052 1 137 . 1 1 13 13 VAL CG1 C 13 20.670 0.400 . 1 . . . . 13 VAL CG1 . 16052 1 138 . 1 1 13 13 VAL CG2 C 13 22.670 0.400 . 1 . . . . 13 VAL CG2 . 16052 1 139 . 1 1 13 13 VAL N N 15 127.010 0.400 . 1 . . . . 13 VAL N . 16052 1 140 . 1 1 14 14 PRO HA H 1 4.187 0.020 . 1 . . . . 14 PRO HA . 16052 1 141 . 1 1 14 14 PRO HB2 H 1 2.317 0.020 . 2 . . . . 14 PRO HB2 . 16052 1 142 . 1 1 14 14 PRO HB3 H 1 1.944 0.020 . 2 . . . . 14 PRO HB3 . 16052 1 143 . 1 1 14 14 PRO HD2 H 1 3.865 0.020 . 2 . . . . 14 PRO HD2 . 16052 1 144 . 1 1 14 14 PRO HD3 H 1 3.665 0.020 . 2 . . . . 14 PRO HD3 . 16052 1 145 . 1 1 14 14 PRO HG2 H 1 1.794 0.020 . 2 . . . . 14 PRO HG2 . 16052 1 146 . 1 1 14 14 PRO HG3 H 1 1.794 0.020 . 2 . . . . 14 PRO HG3 . 16052 1 147 . 1 1 14 14 PRO C C 13 177.170 0.400 . 1 . . . . 14 PRO C . 16052 1 148 . 1 1 14 14 PRO CA C 13 64.870 0.400 . 1 . . . . 14 PRO CA . 16052 1 149 . 1 1 14 14 PRO CB C 13 31.980 0.400 . 1 . . . . 14 PRO CB . 16052 1 150 . 1 1 14 14 PRO CD C 13 51.160 0.400 . 1 . . . . 14 PRO CD . 16052 1 151 . 1 1 14 14 PRO CG C 13 27.790 0.400 . 1 . . . . 14 PRO CG . 16052 1 152 . 1 1 15 15 GLY H H 1 8.651 0.020 . 1 . . . . 15 GLY H . 16052 1 153 . 1 1 15 15 GLY HA2 H 1 4.558 0.020 . 2 . . . . 15 GLY HA2 . 16052 1 154 . 1 1 15 15 GLY HA3 H 1 4.218 0.020 . 2 . . . . 15 GLY HA3 . 16052 1 155 . 1 1 15 15 GLY C C 13 174.070 0.400 . 1 . . . . 15 GLY C . 16052 1 156 . 1 1 15 15 GLY CA C 13 45.920 0.400 . 1 . . . . 15 GLY CA . 16052 1 157 . 1 1 15 15 GLY N N 15 112.130 0.400 . 1 . . . . 15 GLY N . 16052 1 158 . 1 1 16 16 LEU H H 1 7.989 0.020 . 1 . . . . 16 LEU H . 16052 1 159 . 1 1 16 16 LEU HA H 1 4.725 0.020 . 1 . . . . 16 LEU HA . 16052 1 160 . 1 1 16 16 LEU HB2 H 1 -0.648 0.020 . 2 . . . . 16 LEU HB2 . 16052 1 161 . 1 1 16 16 LEU HB3 H 1 -0.648 0.020 . 2 . . . . 16 LEU HB3 . 16052 1 162 . 1 1 16 16 LEU HD11 H 1 0.302 0.020 . 2 . . . . 16 LEU HD1 . 16052 1 163 . 1 1 16 16 LEU HD12 H 1 0.302 0.020 . 2 . . . . 16 LEU HD1 . 16052 1 164 . 1 1 16 16 LEU HD13 H 1 0.302 0.020 . 2 . . . . 16 LEU HD1 . 16052 1 165 . 1 1 16 16 LEU HD21 H 1 0.311 0.020 . 2 . . . . 16 LEU HD2 . 16052 1 166 . 1 1 16 16 LEU HD22 H 1 0.311 0.020 . 2 . . . . 16 LEU HD2 . 16052 1 167 . 1 1 16 16 LEU HD23 H 1 0.311 0.020 . 2 . . . . 16 LEU HD2 . 16052 1 168 . 1 1 16 16 LEU HG H 1 1.317 0.020 . 1 . . . . 16 LEU HG . 16052 1 169 . 1 1 16 16 LEU C C 13 175.550 0.400 . 1 . . . . 16 LEU C . 16052 1 170 . 1 1 16 16 LEU CA C 13 53.850 0.400 . 1 . . . . 16 LEU CA . 16052 1 171 . 1 1 16 16 LEU CB C 13 42.780 0.400 . 1 . . . . 16 LEU CB . 16052 1 172 . 1 1 16 16 LEU CD1 C 13 24.600 0.400 . 1 . . . . 16 LEU CD1 . 16052 1 173 . 1 1 16 16 LEU CD2 C 13 26.310 0.400 . 1 . . . . 16 LEU CD2 . 16052 1 174 . 1 1 16 16 LEU CG C 13 26.500 0.400 . 1 . . . . 16 LEU CG . 16052 1 175 . 1 1 16 16 LEU N N 15 125.380 0.400 . 1 . . . . 16 LEU N . 16052 1 176 . 1 1 17 17 VAL H H 1 8.396 0.020 . 1 . . . . 17 VAL H . 16052 1 177 . 1 1 17 17 VAL HA H 1 4.318 0.020 . 1 . . . . 17 VAL HA . 16052 1 178 . 1 1 17 17 VAL HB H 1 1.845 0.020 . 1 . . . . 17 VAL HB . 16052 1 179 . 1 1 17 17 VAL HG11 H 1 0.925 0.020 . 2 . . . . 17 VAL HG1 . 16052 1 180 . 1 1 17 17 VAL HG12 H 1 0.925 0.020 . 2 . . . . 17 VAL HG1 . 16052 1 181 . 1 1 17 17 VAL HG13 H 1 0.925 0.020 . 2 . . . . 17 VAL HG1 . 16052 1 182 . 1 1 17 17 VAL HG21 H 1 0.720 0.020 . 2 . . . . 17 VAL HG2 . 16052 1 183 . 1 1 17 17 VAL HG22 H 1 0.720 0.020 . 2 . . . . 17 VAL HG2 . 16052 1 184 . 1 1 17 17 VAL HG23 H 1 0.720 0.020 . 2 . . . . 17 VAL HG2 . 16052 1 185 . 1 1 17 17 VAL C C 13 173.380 0.400 . 1 . . . . 17 VAL C . 16052 1 186 . 1 1 17 17 VAL CA C 13 61.440 0.400 . 1 . . . . 17 VAL CA . 16052 1 187 . 1 1 17 17 VAL CB C 13 34.780 0.400 . 1 . . . . 17 VAL CB . 16052 1 188 . 1 1 17 17 VAL CG1 C 13 23.150 0.400 . 1 . . . . 17 VAL CG1 . 16052 1 189 . 1 1 17 17 VAL CG2 C 13 21.770 0.400 . 1 . . . . 17 VAL CG2 . 16052 1 190 . 1 1 17 17 VAL N N 15 126.890 0.400 . 1 . . . . 17 VAL N . 16052 1 191 . 1 1 18 18 VAL H H 1 8.228 0.020 . 1 . . . . 18 VAL H . 16052 1 192 . 1 1 18 18 VAL HA H 1 4.674 0.020 . 1 . . . . 18 VAL HA . 16052 1 193 . 1 1 18 18 VAL HB H 1 1.780 0.020 . 1 . . . . 18 VAL HB . 16052 1 194 . 1 1 18 18 VAL HG11 H 1 0.554 0.020 . 2 . . . . 18 VAL HG1 . 16052 1 195 . 1 1 18 18 VAL HG12 H 1 0.554 0.020 . 2 . . . . 18 VAL HG1 . 16052 1 196 . 1 1 18 18 VAL HG13 H 1 0.554 0.020 . 2 . . . . 18 VAL HG1 . 16052 1 197 . 1 1 18 18 VAL HG21 H 1 0.554 0.020 . 2 . . . . 18 VAL HG2 . 16052 1 198 . 1 1 18 18 VAL HG22 H 1 0.554 0.020 . 2 . . . . 18 VAL HG2 . 16052 1 199 . 1 1 18 18 VAL HG23 H 1 0.554 0.020 . 2 . . . . 18 VAL HG2 . 16052 1 200 . 1 1 18 18 VAL C C 13 174.830 0.400 . 1 . . . . 18 VAL C . 16052 1 201 . 1 1 18 18 VAL CA C 13 61.130 0.400 . 1 . . . . 18 VAL CA . 16052 1 202 . 1 1 18 18 VAL CB C 13 32.990 0.400 . 1 . . . . 18 VAL CB . 16052 1 203 . 1 1 18 18 VAL CG1 C 13 21.590 0.400 . 1 . . . . 18 VAL CG1 . 16052 1 204 . 1 1 18 18 VAL CG2 C 13 20.390 0.400 . 1 . . . . 18 VAL CG2 . 16052 1 205 . 1 1 18 18 VAL N N 15 126.230 0.400 . 1 . . . . 18 VAL N . 16052 1 206 . 1 1 19 19 TYR H H 1 8.666 0.020 . 1 . . . . 19 TYR H . 16052 1 207 . 1 1 19 19 TYR HA H 1 4.820 0.020 . 1 . . . . 19 TYR HA . 16052 1 208 . 1 1 19 19 TYR HB2 H 1 2.356 0.020 . 2 . . . . 19 TYR HB2 . 16052 1 209 . 1 1 19 19 TYR HB3 H 1 2.356 0.020 . 2 . . . . 19 TYR HB3 . 16052 1 210 . 1 1 19 19 TYR HD1 H 1 7.107 0.020 . 1 . . . . 19 TYR HD1 . 16052 1 211 . 1 1 19 19 TYR HD2 H 1 7.107 0.020 . 1 . . . . 19 TYR HD2 . 16052 1 212 . 1 1 19 19 TYR C C 13 171.920 0.400 . 1 . . . . 19 TYR C . 16052 1 213 . 1 1 19 19 TYR CA C 13 57.130 0.400 . 1 . . . . 19 TYR CA . 16052 1 214 . 1 1 19 19 TYR CB C 13 44.570 0.400 . 1 . . . . 19 TYR CB . 16052 1 215 . 1 1 19 19 TYR N N 15 128.760 0.400 . 1 . . . . 19 TYR N . 16052 1 216 . 1 1 20 20 ARG H H 1 7.695 0.020 . 1 . . . . 20 ARG H . 16052 1 217 . 1 1 20 20 ARG HA H 1 4.472 0.020 . 1 . . . . 20 ARG HA . 16052 1 218 . 1 1 20 20 ARG HB2 H 1 1.683 0.020 . 2 . . . . 20 ARG HB2 . 16052 1 219 . 1 1 20 20 ARG HB3 H 1 1.683 0.020 . 2 . . . . 20 ARG HB3 . 16052 1 220 . 1 1 20 20 ARG HD2 H 1 3.230 0.020 . 2 . . . . 20 ARG HD2 . 16052 1 221 . 1 1 20 20 ARG HD3 H 1 3.230 0.020 . 2 . . . . 20 ARG HD3 . 16052 1 222 . 1 1 20 20 ARG HG2 H 1 1.486 0.020 . 2 . . . . 20 ARG HG2 . 16052 1 223 . 1 1 20 20 ARG HG3 H 1 1.486 0.020 . 2 . . . . 20 ARG HG3 . 16052 1 224 . 1 1 20 20 ARG C C 13 173.360 0.400 . 1 . . . . 20 ARG C . 16052 1 225 . 1 1 20 20 ARG CA C 13 54.690 0.400 . 1 . . . . 20 ARG CA . 16052 1 226 . 1 1 20 20 ARG CB C 13 34.120 0.400 . 1 . . . . 20 ARG CB . 16052 1 227 . 1 1 20 20 ARG CD C 13 43.740 0.400 . 1 . . . . 20 ARG CD . 16052 1 228 . 1 1 20 20 ARG CG C 13 26.760 0.400 . 1 . . . . 20 ARG CG . 16052 1 229 . 1 1 20 20 ARG N N 15 129.080 0.400 . 1 . . . . 20 ARG N . 16052 1 230 . 1 1 21 21 TYR H H 1 9.270 0.020 . 1 . . . . 21 TYR H . 16052 1 231 . 1 1 21 21 TYR HA H 1 4.482 0.020 . 1 . . . . 21 TYR HA . 16052 1 232 . 1 1 21 21 TYR HB2 H 1 3.140 0.020 . 2 . . . . 21 TYR HB2 . 16052 1 233 . 1 1 21 21 TYR HB3 H 1 3.076 0.020 . 2 . . . . 21 TYR HB3 . 16052 1 234 . 1 1 21 21 TYR HD1 H 1 6.917 0.020 . 1 . . . . 21 TYR HD1 . 16052 1 235 . 1 1 21 21 TYR HD2 H 1 6.917 0.020 . 1 . . . . 21 TYR HD2 . 16052 1 236 . 1 1 21 21 TYR HE1 H 1 6.755 0.020 . 1 . . . . 21 TYR HE1 . 16052 1 237 . 1 1 21 21 TYR HE2 H 1 6.755 0.020 . 1 . . . . 21 TYR HE2 . 16052 1 238 . 1 1 21 21 TYR C C 13 175.480 0.400 . 1 . . . . 21 TYR C . 16052 1 239 . 1 1 21 21 TYR CA C 13 58.030 0.400 . 1 . . . . 21 TYR CA . 16052 1 240 . 1 1 21 21 TYR CB C 13 40.190 0.400 . 1 . . . . 21 TYR CB . 16052 1 241 . 1 1 21 21 TYR N N 15 129.030 0.400 . 1 . . . . 21 TYR N . 16052 1 242 . 1 1 22 22 ASP H H 1 7.132 0.020 . 1 . . . . 22 ASP H . 16052 1 243 . 1 1 22 22 ASP HA H 1 4.270 0.020 . 1 . . . . 22 ASP HA . 16052 1 244 . 1 1 22 22 ASP HB2 H 1 2.495 0.020 . 2 . . . . 22 ASP HB2 . 16052 1 245 . 1 1 22 22 ASP HB3 H 1 2.495 0.020 . 2 . . . . 22 ASP HB3 . 16052 1 246 . 1 1 22 22 ASP C C 13 174.210 0.400 . 1 . . . . 22 ASP C . 16052 1 247 . 1 1 22 22 ASP CA C 13 55.570 0.400 . 1 . . . . 22 ASP CA . 16052 1 248 . 1 1 22 22 ASP CB C 13 40.980 0.400 . 1 . . . . 22 ASP CB . 16052 1 249 . 1 1 22 22 ASP N N 15 124.670 0.400 . 1 . . . . 22 ASP N . 16052 1 250 . 1 1 23 23 ALA H H 1 6.942 0.020 . 1 . . . . 23 ALA H . 16052 1 251 . 1 1 23 23 ALA HA H 1 4.608 0.020 . 1 . . . . 23 ALA HA . 16052 1 252 . 1 1 23 23 ALA HB1 H 1 1.151 0.020 . 1 . . . . 23 ALA HB . 16052 1 253 . 1 1 23 23 ALA HB2 H 1 1.151 0.020 . 1 . . . . 23 ALA HB . 16052 1 254 . 1 1 23 23 ALA HB3 H 1 1.151 0.020 . 1 . . . . 23 ALA HB . 16052 1 255 . 1 1 23 23 ALA C C 13 173.680 0.400 . 1 . . . . 23 ALA C . 16052 1 256 . 1 1 23 23 ALA CA C 13 50.440 0.400 . 1 . . . . 23 ALA CA . 16052 1 257 . 1 1 23 23 ALA CB C 13 20.170 0.400 . 1 . . . . 23 ALA CB . 16052 1 258 . 1 1 23 23 ALA N N 15 122.280 0.400 . 1 . . . . 23 ALA N . 16052 1 259 . 1 1 24 24 PRO HA H 1 4.273 0.020 . 1 . . . . 24 PRO HA . 16052 1 260 . 1 1 24 24 PRO HB2 H 1 2.293 0.020 . 2 . . . . 24 PRO HB2 . 16052 1 261 . 1 1 24 24 PRO HB3 H 1 2.293 0.020 . 2 . . . . 24 PRO HB3 . 16052 1 262 . 1 1 24 24 PRO HD2 H 1 3.663 0.020 . 2 . . . . 24 PRO HD2 . 16052 1 263 . 1 1 24 24 PRO HD3 H 1 3.368 0.020 . 2 . . . . 24 PRO HD3 . 16052 1 264 . 1 1 24 24 PRO HG2 H 1 1.963 0.020 . 2 . . . . 24 PRO HG2 . 16052 1 265 . 1 1 24 24 PRO HG3 H 1 1.963 0.020 . 2 . . . . 24 PRO HG3 . 16052 1 266 . 1 1 24 24 PRO C C 13 174.470 0.400 . 1 . . . . 24 PRO C . 16052 1 267 . 1 1 24 24 PRO CA C 13 63.520 0.400 . 1 . . . . 24 PRO CA . 16052 1 268 . 1 1 24 24 PRO CB C 13 31.850 0.400 . 1 . . . . 24 PRO CB . 16052 1 269 . 1 1 24 24 PRO CD C 13 50.490 0.400 . 1 . . . . 24 PRO CD . 16052 1 270 . 1 1 24 24 PRO CG C 13 27.680 0.400 . 1 . . . . 24 PRO CG . 16052 1 271 . 1 1 25 25 LEU H H 1 8.698 0.020 . 1 . . . . 25 LEU H . 16052 1 272 . 1 1 25 25 LEU HA H 1 4.476 0.020 . 1 . . . . 25 LEU HA . 16052 1 273 . 1 1 25 25 LEU HB2 H 1 1.388 0.020 . 2 . . . . 25 LEU HB2 . 16052 1 274 . 1 1 25 25 LEU HB3 H 1 1.388 0.020 . 2 . . . . 25 LEU HB3 . 16052 1 275 . 1 1 25 25 LEU HD11 H 1 0.137 0.020 . 2 . . . . 25 LEU HD1 . 16052 1 276 . 1 1 25 25 LEU HD12 H 1 0.137 0.020 . 2 . . . . 25 LEU HD1 . 16052 1 277 . 1 1 25 25 LEU HD13 H 1 0.137 0.020 . 2 . . . . 25 LEU HD1 . 16052 1 278 . 1 1 25 25 LEU HD21 H 1 0.265 0.020 . 2 . . . . 25 LEU HD2 . 16052 1 279 . 1 1 25 25 LEU HD22 H 1 0.265 0.020 . 2 . . . . 25 LEU HD2 . 16052 1 280 . 1 1 25 25 LEU HD23 H 1 0.265 0.020 . 2 . . . . 25 LEU HD2 . 16052 1 281 . 1 1 25 25 LEU HG H 1 1.860 0.020 . 1 . . . . 25 LEU HG . 16052 1 282 . 1 1 25 25 LEU C C 13 175.850 0.400 . 1 . . . . 25 LEU C . 16052 1 283 . 1 1 25 25 LEU CA C 13 55.340 0.400 . 1 . . . . 25 LEU CA . 16052 1 284 . 1 1 25 25 LEU CB C 13 42.740 0.400 . 1 . . . . 25 LEU CB . 16052 1 285 . 1 1 25 25 LEU CD1 C 13 24.280 0.400 . 1 . . . . 25 LEU CD1 . 16052 1 286 . 1 1 25 25 LEU CD2 C 13 26.980 0.400 . 1 . . . . 25 LEU CD2 . 16052 1 287 . 1 1 25 25 LEU CG C 13 27.760 0.400 . 1 . . . . 25 LEU CG . 16052 1 288 . 1 1 25 25 LEU N N 15 127.150 0.400 . 1 . . . . 25 LEU N . 16052 1 289 . 1 1 26 26 CYS H H 1 8.804 0.020 . 1 . . . . 26 CYS H . 16052 1 290 . 1 1 26 26 CYS HA H 1 4.934 0.020 . 1 . . . . 26 CYS HA . 16052 1 291 . 1 1 26 26 CYS CA C 13 56.360 0.400 . 1 . . . . 26 CYS CA . 16052 1 292 . 1 1 26 26 CYS CB C 13 31.700 0.400 . 1 . . . . 26 CYS CB . 16052 1 293 . 1 1 26 26 CYS N N 15 118.300 0.400 . 1 . . . . 26 CYS N . 16052 1 294 . 1 1 27 27 PHE HA H 1 4.120 0.020 . 1 . . . . 27 PHE HA . 16052 1 295 . 1 1 27 27 PHE HB2 H 1 3.225 0.020 . 2 . . . . 27 PHE HB2 . 16052 1 296 . 1 1 27 27 PHE HB3 H 1 3.225 0.020 . 2 . . . . 27 PHE HB3 . 16052 1 297 . 1 1 27 27 PHE HD1 H 1 6.955 0.020 . 1 . . . . 27 PHE HD1 . 16052 1 298 . 1 1 27 27 PHE HD2 H 1 6.955 0.020 . 1 . . . . 27 PHE HD2 . 16052 1 299 . 1 1 27 27 PHE C C 13 176.570 0.400 . 1 . . . . 27 PHE C . 16052 1 300 . 1 1 27 27 PHE CA C 13 61.200 0.400 . 1 . . . . 27 PHE CA . 16052 1 301 . 1 1 27 27 PHE CB C 13 38.590 0.400 . 1 . . . . 27 PHE CB . 16052 1 302 . 1 1 28 28 ALA H H 1 7.162 0.020 . 1 . . . . 28 ALA H . 16052 1 303 . 1 1 28 28 ALA HA H 1 3.973 0.020 . 1 . . . . 28 ALA HA . 16052 1 304 . 1 1 28 28 ALA HB1 H 1 1.130 0.020 . 1 . . . . 28 ALA HB . 16052 1 305 . 1 1 28 28 ALA HB2 H 1 1.130 0.020 . 1 . . . . 28 ALA HB . 16052 1 306 . 1 1 28 28 ALA HB3 H 1 1.130 0.020 . 1 . . . . 28 ALA HB . 16052 1 307 . 1 1 28 28 ALA C C 13 178.180 0.400 . 1 . . . . 28 ALA C . 16052 1 308 . 1 1 28 28 ALA CA C 13 54.240 0.400 . 1 . . . . 28 ALA CA . 16052 1 309 . 1 1 28 28 ALA CB C 13 19.020 0.400 . 1 . . . . 28 ALA CB . 16052 1 310 . 1 1 28 28 ALA N N 15 121.190 0.400 . 1 . . . . 28 ALA N . 16052 1 311 . 1 1 29 29 ASN H H 1 7.445 0.020 . 1 . . . . 29 ASN H . 16052 1 312 . 1 1 29 29 ASN HA H 1 5.081 0.020 . 1 . . . . 29 ASN HA . 16052 1 313 . 1 1 29 29 ASN HB2 H 1 3.020 0.020 . 2 . . . . 29 ASN HB2 . 16052 1 314 . 1 1 29 29 ASN HB3 H 1 2.800 0.020 . 2 . . . . 29 ASN HB3 . 16052 1 315 . 1 1 29 29 ASN HD21 H 1 7.413 0.020 . 2 . . . . 29 ASN HD21 . 16052 1 316 . 1 1 29 29 ASN HD22 H 1 7.753 0.020 . 2 . . . . 29 ASN HD22 . 16052 1 317 . 1 1 29 29 ASN C C 13 175.960 0.400 . 1 . . . . 29 ASN C . 16052 1 318 . 1 1 29 29 ASN CA C 13 52.390 0.400 . 1 . . . . 29 ASN CA . 16052 1 319 . 1 1 29 29 ASN CB C 13 39.830 0.400 . 1 . . . . 29 ASN CB . 16052 1 320 . 1 1 29 29 ASN N N 15 113.530 0.400 . 1 . . . . 29 ASN N . 16052 1 321 . 1 1 29 29 ASN ND2 N 15 109.930 0.400 . 1 . . . . 29 ASN ND2 . 16052 1 322 . 1 1 30 30 ALA H H 1 7.443 0.020 . 1 . . . . 30 ALA H . 16052 1 323 . 1 1 30 30 ALA HA H 1 3.843 0.020 . 1 . . . . 30 ALA HA . 16052 1 324 . 1 1 30 30 ALA HB1 H 1 1.370 0.020 . 1 . . . . 30 ALA HB . 16052 1 325 . 1 1 30 30 ALA HB2 H 1 1.370 0.020 . 1 . . . . 30 ALA HB . 16052 1 326 . 1 1 30 30 ALA HB3 H 1 1.370 0.020 . 1 . . . . 30 ALA HB . 16052 1 327 . 1 1 30 30 ALA C C 13 178.900 0.400 . 1 . . . . 30 ALA C . 16052 1 328 . 1 1 30 30 ALA CA C 13 56.710 0.400 . 1 . . . . 30 ALA CA . 16052 1 329 . 1 1 30 30 ALA CB C 13 18.970 0.400 . 1 . . . . 30 ALA CB . 16052 1 330 . 1 1 30 30 ALA N N 15 122.860 0.400 . 1 . . . . 30 ALA N . 16052 1 331 . 1 1 31 31 GLU H H 1 8.327 0.020 . 1 . . . . 31 GLU H . 16052 1 332 . 1 1 31 31 GLU HA H 1 4.083 0.020 . 1 . . . . 31 GLU HA . 16052 1 333 . 1 1 31 31 GLU HB2 H 1 1.975 0.020 . 2 . . . . 31 GLU HB2 . 16052 1 334 . 1 1 31 31 GLU HB3 H 1 1.975 0.020 . 2 . . . . 31 GLU HB3 . 16052 1 335 . 1 1 31 31 GLU HG2 H 1 2.242 0.020 . 2 . . . . 31 GLU HG2 . 16052 1 336 . 1 1 31 31 GLU HG3 H 1 2.242 0.020 . 2 . . . . 31 GLU HG3 . 16052 1 337 . 1 1 31 31 GLU C C 13 178.190 0.400 . 1 . . . . 31 GLU C . 16052 1 338 . 1 1 31 31 GLU CA C 13 59.530 0.400 . 1 . . . . 31 GLU CA . 16052 1 339 . 1 1 31 31 GLU CB C 13 29.200 0.400 . 1 . . . . 31 GLU CB . 16052 1 340 . 1 1 31 31 GLU CG C 13 36.140 0.400 . 1 . . . . 31 GLU CG . 16052 1 341 . 1 1 31 31 GLU N N 15 116.640 0.400 . 1 . . . . 31 GLU N . 16052 1 342 . 1 1 32 32 ASP H H 1 7.878 0.020 . 1 . . . . 32 ASP H . 16052 1 343 . 1 1 32 32 ASP HA H 1 4.306 0.020 . 1 . . . . 32 ASP HA . 16052 1 344 . 1 1 32 32 ASP HB2 H 1 2.796 0.020 . 2 . . . . 32 ASP HB2 . 16052 1 345 . 1 1 32 32 ASP HB3 H 1 2.796 0.020 . 2 . . . . 32 ASP HB3 . 16052 1 346 . 1 1 32 32 ASP C C 13 177.070 0.400 . 1 . . . . 32 ASP C . 16052 1 347 . 1 1 32 32 ASP CA C 13 58.320 0.400 . 1 . . . . 32 ASP CA . 16052 1 348 . 1 1 32 32 ASP CB C 13 42.460 0.400 . 1 . . . . 32 ASP CB . 16052 1 349 . 1 1 32 32 ASP N N 15 121.440 0.400 . 1 . . . . 32 ASP N . 16052 1 350 . 1 1 33 33 PHE H H 1 8.490 0.020 . 1 . . . . 33 PHE H . 16052 1 351 . 1 1 33 33 PHE HA H 1 3.848 0.020 . 1 . . . . 33 PHE HA . 16052 1 352 . 1 1 33 33 PHE HB2 H 1 2.834 0.020 . 2 . . . . 33 PHE HB2 . 16052 1 353 . 1 1 33 33 PHE HB3 H 1 2.834 0.020 . 2 . . . . 33 PHE HB3 . 16052 1 354 . 1 1 33 33 PHE HD1 H 1 7.090 0.020 . 1 . . . . 33 PHE HD1 . 16052 1 355 . 1 1 33 33 PHE HD2 H 1 7.090 0.020 . 1 . . . . 33 PHE HD2 . 16052 1 356 . 1 1 33 33 PHE HE1 H 1 6.854 0.020 . 1 . . . . 33 PHE HE1 . 16052 1 357 . 1 1 33 33 PHE HE2 H 1 6.854 0.020 . 1 . . . . 33 PHE HE2 . 16052 1 358 . 1 1 33 33 PHE HZ H 1 6.805 0.020 . 1 . . . . 33 PHE HZ . 16052 1 359 . 1 1 33 33 PHE C C 13 175.810 0.400 . 1 . . . . 33 PHE C . 16052 1 360 . 1 1 33 33 PHE CA C 13 60.750 0.400 . 1 . . . . 33 PHE CA . 16052 1 361 . 1 1 33 33 PHE CB C 13 38.240 0.400 . 1 . . . . 33 PHE CB . 16052 1 362 . 1 1 33 33 PHE N N 15 118.360 0.400 . 1 . . . . 33 PHE N . 16052 1 363 . 1 1 34 34 ARG H H 1 7.632 0.020 . 1 . . . . 34 ARG H . 16052 1 364 . 1 1 34 34 ARG HA H 1 3.150 0.020 . 1 . . . . 34 ARG HA . 16052 1 365 . 1 1 34 34 ARG HB2 H 1 1.815 0.020 . 2 . . . . 34 ARG HB2 . 16052 1 366 . 1 1 34 34 ARG HB3 H 1 1.815 0.020 . 2 . . . . 34 ARG HB3 . 16052 1 367 . 1 1 34 34 ARG HD2 H 1 3.073 0.020 . 2 . . . . 34 ARG HD2 . 16052 1 368 . 1 1 34 34 ARG HD3 H 1 3.073 0.020 . 2 . . . . 34 ARG HD3 . 16052 1 369 . 1 1 34 34 ARG HG2 H 1 1.395 0.020 . 2 . . . . 34 ARG HG2 . 16052 1 370 . 1 1 34 34 ARG HG3 H 1 1.395 0.020 . 2 . . . . 34 ARG HG3 . 16052 1 371 . 1 1 34 34 ARG C C 13 177.150 0.400 . 1 . . . . 34 ARG C . 16052 1 372 . 1 1 34 34 ARG CA C 13 60.320 0.400 . 1 . . . . 34 ARG CA . 16052 1 373 . 1 1 34 34 ARG CB C 13 30.760 0.400 . 1 . . . . 34 ARG CB . 16052 1 374 . 1 1 34 34 ARG CD C 13 41.300 0.400 . 1 . . . . 34 ARG CD . 16052 1 375 . 1 1 34 34 ARG CG C 13 27.750 0.400 . 1 . . . . 34 ARG CG . 16052 1 376 . 1 1 34 34 ARG N N 15 118.970 0.400 . 1 . . . . 34 ARG N . 16052 1 377 . 1 1 35 35 ARG H H 1 8.034 0.020 . 1 . . . . 35 ARG H . 16052 1 378 . 1 1 35 35 ARG HA H 1 3.818 0.020 . 1 . . . . 35 ARG HA . 16052 1 379 . 1 1 35 35 ARG HB2 H 1 1.862 0.020 . 2 . . . . 35 ARG HB2 . 16052 1 380 . 1 1 35 35 ARG HB3 H 1 1.862 0.020 . 2 . . . . 35 ARG HB3 . 16052 1 381 . 1 1 35 35 ARG HD2 H 1 3.152 0.020 . 2 . . . . 35 ARG HD2 . 16052 1 382 . 1 1 35 35 ARG HD3 H 1 3.152 0.020 . 2 . . . . 35 ARG HD3 . 16052 1 383 . 1 1 35 35 ARG HG2 H 1 1.483 0.020 . 2 . . . . 35 ARG HG2 . 16052 1 384 . 1 1 35 35 ARG HG3 H 1 1.483 0.020 . 2 . . . . 35 ARG HG3 . 16052 1 385 . 1 1 35 35 ARG C C 13 180.440 0.400 . 1 . . . . 35 ARG C . 16052 1 386 . 1 1 35 35 ARG CA C 13 59.820 0.400 . 1 . . . . 35 ARG CA . 16052 1 387 . 1 1 35 35 ARG CB C 13 30.540 0.400 . 1 . . . . 35 ARG CB . 16052 1 388 . 1 1 35 35 ARG CD C 13 43.330 0.400 . 1 . . . . 35 ARG CD . 16052 1 389 . 1 1 35 35 ARG CG C 13 27.590 0.400 . 1 . . . . 35 ARG CG . 16052 1 390 . 1 1 35 35 ARG N N 15 116.300 0.400 . 1 . . . . 35 ARG N . 16052 1 391 . 1 1 36 36 ARG H H 1 8.759 0.020 . 1 . . . . 36 ARG H . 16052 1 392 . 1 1 36 36 ARG HA H 1 3.867 0.020 . 1 . . . . 36 ARG HA . 16052 1 393 . 1 1 36 36 ARG HB2 H 1 2.034 0.020 . 2 . . . . 36 ARG HB2 . 16052 1 394 . 1 1 36 36 ARG HB3 H 1 1.851 0.020 . 2 . . . . 36 ARG HB3 . 16052 1 395 . 1 1 36 36 ARG HD2 H 1 3.080 0.020 . 2 . . . . 36 ARG HD2 . 16052 1 396 . 1 1 36 36 ARG HD3 H 1 3.080 0.020 . 2 . . . . 36 ARG HD3 . 16052 1 397 . 1 1 36 36 ARG HG2 H 1 1.765 0.020 . 2 . . . . 36 ARG HG2 . 16052 1 398 . 1 1 36 36 ARG HG3 H 1 1.765 0.020 . 2 . . . . 36 ARG HG3 . 16052 1 399 . 1 1 36 36 ARG C C 13 178.970 0.400 . 1 . . . . 36 ARG C . 16052 1 400 . 1 1 36 36 ARG CA C 13 60.380 0.400 . 1 . . . . 36 ARG CA . 16052 1 401 . 1 1 36 36 ARG CB C 13 30.410 0.400 . 1 . . . . 36 ARG CB . 16052 1 402 . 1 1 36 36 ARG CD C 13 44.020 0.400 . 1 . . . . 36 ARG CD . 16052 1 403 . 1 1 36 36 ARG CG C 13 28.550 0.400 . 1 . . . . 36 ARG CG . 16052 1 404 . 1 1 36 36 ARG N N 15 120.940 0.400 . 1 . . . . 36 ARG N . 16052 1 405 . 1 1 37 37 ALA H H 1 7.970 0.020 . 1 . . . . 37 ALA H . 16052 1 406 . 1 1 37 37 ALA HA H 1 3.007 0.020 . 1 . . . . 37 ALA HA . 16052 1 407 . 1 1 37 37 ALA HB1 H 1 0.731 0.020 . 1 . . . . 37 ALA HB . 16052 1 408 . 1 1 37 37 ALA HB2 H 1 0.731 0.020 . 1 . . . . 37 ALA HB . 16052 1 409 . 1 1 37 37 ALA HB3 H 1 0.731 0.020 . 1 . . . . 37 ALA HB . 16052 1 410 . 1 1 37 37 ALA C C 13 178.710 0.400 . 1 . . . . 37 ALA C . 16052 1 411 . 1 1 37 37 ALA CA C 13 55.350 0.400 . 1 . . . . 37 ALA CA . 16052 1 412 . 1 1 37 37 ALA CB C 13 19.110 0.400 . 1 . . . . 37 ALA CB . 16052 1 413 . 1 1 37 37 ALA N N 15 122.580 0.400 . 1 . . . . 37 ALA N . 16052 1 414 . 1 1 38 38 LEU H H 1 7.359 0.020 . 1 . . . . 38 LEU H . 16052 1 415 . 1 1 38 38 LEU HA H 1 3.726 0.020 . 1 . . . . 38 LEU HA . 16052 1 416 . 1 1 38 38 LEU HB2 H 1 1.659 0.020 . 2 . . . . 38 LEU HB2 . 16052 1 417 . 1 1 38 38 LEU HB3 H 1 1.518 0.020 . 2 . . . . 38 LEU HB3 . 16052 1 418 . 1 1 38 38 LEU HD11 H 1 0.418 0.020 . 2 . . . . 38 LEU HD1 . 16052 1 419 . 1 1 38 38 LEU HD12 H 1 0.418 0.020 . 2 . . . . 38 LEU HD1 . 16052 1 420 . 1 1 38 38 LEU HD13 H 1 0.418 0.020 . 2 . . . . 38 LEU HD1 . 16052 1 421 . 1 1 38 38 LEU HD21 H 1 0.384 0.020 . 2 . . . . 38 LEU HD2 . 16052 1 422 . 1 1 38 38 LEU HD22 H 1 0.384 0.020 . 2 . . . . 38 LEU HD2 . 16052 1 423 . 1 1 38 38 LEU HD23 H 1 0.384 0.020 . 2 . . . . 38 LEU HD2 . 16052 1 424 . 1 1 38 38 LEU HG H 1 1.241 0.020 . 1 . . . . 38 LEU HG . 16052 1 425 . 1 1 38 38 LEU C C 13 179.050 0.400 . 1 . . . . 38 LEU C . 16052 1 426 . 1 1 38 38 LEU CA C 13 57.360 0.400 . 1 . . . . 38 LEU CA . 16052 1 427 . 1 1 38 38 LEU CB C 13 40.940 0.400 . 1 . . . . 38 LEU CB . 16052 1 428 . 1 1 38 38 LEU CD1 C 13 21.800 0.400 . 1 . . . . 38 LEU CD1 . 16052 1 429 . 1 1 38 38 LEU CD2 C 13 22.680 0.400 . 1 . . . . 38 LEU CD2 . 16052 1 430 . 1 1 38 38 LEU CG C 13 26.460 0.400 . 1 . . . . 38 LEU CG . 16052 1 431 . 1 1 38 38 LEU N N 15 113.890 0.400 . 1 . . . . 38 LEU N . 16052 1 432 . 1 1 39 39 THR H H 1 7.843 0.020 . 1 . . . . 39 THR H . 16052 1 433 . 1 1 39 39 THR HA H 1 3.914 0.020 . 1 . . . . 39 THR HA . 16052 1 434 . 1 1 39 39 THR HB H 1 4.267 0.020 . 1 . . . . 39 THR HB . 16052 1 435 . 1 1 39 39 THR HG21 H 1 1.213 0.020 . 1 . . . . 39 THR HG2 . 16052 1 436 . 1 1 39 39 THR HG22 H 1 1.213 0.020 . 1 . . . . 39 THR HG2 . 16052 1 437 . 1 1 39 39 THR HG23 H 1 1.213 0.020 . 1 . . . . 39 THR HG2 . 16052 1 438 . 1 1 39 39 THR C C 13 175.950 0.400 . 1 . . . . 39 THR C . 16052 1 439 . 1 1 39 39 THR CA C 13 67.510 0.400 . 1 . . . . 39 THR CA . 16052 1 440 . 1 1 39 39 THR CB C 13 68.920 0.400 . 1 . . . . 39 THR CB . 16052 1 441 . 1 1 39 39 THR CG2 C 13 21.460 0.400 . 1 . . . . 39 THR CG2 . 16052 1 442 . 1 1 39 39 THR N N 15 116.310 0.400 . 1 . . . . 39 THR N . 16052 1 443 . 1 1 40 40 VAL H H 1 7.325 0.020 . 1 . . . . 40 VAL H . 16052 1 444 . 1 1 40 40 VAL HA H 1 3.715 0.020 . 1 . . . . 40 VAL HA . 16052 1 445 . 1 1 40 40 VAL HB H 1 2.233 0.020 . 1 . . . . 40 VAL HB . 16052 1 446 . 1 1 40 40 VAL HG11 H 1 1.044 0.020 . 2 . . . . 40 VAL HG1 . 16052 1 447 . 1 1 40 40 VAL HG12 H 1 1.044 0.020 . 2 . . . . 40 VAL HG1 . 16052 1 448 . 1 1 40 40 VAL HG13 H 1 1.044 0.020 . 2 . . . . 40 VAL HG1 . 16052 1 449 . 1 1 40 40 VAL HG21 H 1 1.105 0.020 . 2 . . . . 40 VAL HG2 . 16052 1 450 . 1 1 40 40 VAL HG22 H 1 1.105 0.020 . 2 . . . . 40 VAL HG2 . 16052 1 451 . 1 1 40 40 VAL HG23 H 1 1.105 0.020 . 2 . . . . 40 VAL HG2 . 16052 1 452 . 1 1 40 40 VAL C C 13 178.870 0.400 . 1 . . . . 40 VAL C . 16052 1 453 . 1 1 40 40 VAL CA C 13 66.900 0.400 . 1 . . . . 40 VAL CA . 16052 1 454 . 1 1 40 40 VAL CB C 13 31.510 0.400 . 1 . . . . 40 VAL CB . 16052 1 455 . 1 1 40 40 VAL CG1 C 13 22.030 0.400 . 1 . . . . 40 VAL CG1 . 16052 1 456 . 1 1 40 40 VAL CG2 C 13 22.870 0.400 . 1 . . . . 40 VAL CG2 . 16052 1 457 . 1 1 40 40 VAL N N 15 119.190 0.400 . 1 . . . . 40 VAL N . 16052 1 458 . 1 1 41 41 VAL H H 1 7.123 0.020 . 1 . . . . 41 VAL H . 16052 1 459 . 1 1 41 41 VAL HA H 1 3.714 0.020 . 1 . . . . 41 VAL HA . 16052 1 460 . 1 1 41 41 VAL HB H 1 2.206 0.020 . 1 . . . . 41 VAL HB . 16052 1 461 . 1 1 41 41 VAL HG11 H 1 1.024 0.020 . 2 . . . . 41 VAL HG1 . 16052 1 462 . 1 1 41 41 VAL HG12 H 1 1.024 0.020 . 2 . . . . 41 VAL HG1 . 16052 1 463 . 1 1 41 41 VAL HG13 H 1 1.024 0.020 . 2 . . . . 41 VAL HG1 . 16052 1 464 . 1 1 41 41 VAL HG21 H 1 0.877 0.020 . 2 . . . . 41 VAL HG2 . 16052 1 465 . 1 1 41 41 VAL HG22 H 1 0.877 0.020 . 2 . . . . 41 VAL HG2 . 16052 1 466 . 1 1 41 41 VAL HG23 H 1 0.877 0.020 . 2 . . . . 41 VAL HG2 . 16052 1 467 . 1 1 41 41 VAL C C 13 177.890 0.400 . 1 . . . . 41 VAL C . 16052 1 468 . 1 1 41 41 VAL CA C 13 66.770 0.400 . 1 . . . . 41 VAL CA . 16052 1 469 . 1 1 41 41 VAL CB C 13 31.650 0.400 . 1 . . . . 41 VAL CB . 16052 1 470 . 1 1 41 41 VAL CG1 C 13 21.950 0.400 . 1 . . . . 41 VAL CG1 . 16052 1 471 . 1 1 41 41 VAL CG2 C 13 22.600 0.400 . 1 . . . . 41 VAL CG2 . 16052 1 472 . 1 1 41 41 VAL N N 15 117.560 0.400 . 1 . . . . 41 VAL N . 16052 1 473 . 1 1 42 42 ASP H H 1 8.381 0.020 . 1 . . . . 42 ASP H . 16052 1 474 . 1 1 42 42 ASP HA H 1 4.411 0.020 . 1 . . . . 42 ASP HA . 16052 1 475 . 1 1 42 42 ASP HB2 H 1 2.690 0.020 . 2 . . . . 42 ASP HB2 . 16052 1 476 . 1 1 42 42 ASP HB3 H 1 2.690 0.020 . 2 . . . . 42 ASP HB3 . 16052 1 477 . 1 1 42 42 ASP C C 13 177.760 0.400 . 1 . . . . 42 ASP C . 16052 1 478 . 1 1 42 42 ASP CA C 13 57.150 0.400 . 1 . . . . 42 ASP CA . 16052 1 479 . 1 1 42 42 ASP CB C 13 40.660 0.400 . 1 . . . . 42 ASP CB . 16052 1 480 . 1 1 42 42 ASP N N 15 120.370 0.400 . 1 . . . . 42 ASP N . 16052 1 481 . 1 1 43 43 GLN H H 1 7.743 0.020 . 1 . . . . 43 GLN H . 16052 1 482 . 1 1 43 43 GLN HA H 1 4.213 0.020 . 1 . . . . 43 GLN HA . 16052 1 483 . 1 1 43 43 GLN HB2 H 1 2.049 0.020 . 2 . . . . 43 GLN HB2 . 16052 1 484 . 1 1 43 43 GLN HB3 H 1 2.171 0.020 . 2 . . . . 43 GLN HB3 . 16052 1 485 . 1 1 43 43 GLN HE21 H 1 6.764 0.020 . 2 . . . . 43 GLN HE21 . 16052 1 486 . 1 1 43 43 GLN HE22 H 1 7.436 0.020 . 2 . . . . 43 GLN HE22 . 16052 1 487 . 1 1 43 43 GLN HG2 H 1 2.601 0.020 . 2 . . . . 43 GLN HG2 . 16052 1 488 . 1 1 43 43 GLN HG3 H 1 2.601 0.020 . 2 . . . . 43 GLN HG3 . 16052 1 489 . 1 1 43 43 GLN C C 13 175.960 0.400 . 1 . . . . 43 GLN C . 16052 1 490 . 1 1 43 43 GLN CA C 13 56.500 0.400 . 1 . . . . 43 GLN CA . 16052 1 491 . 1 1 43 43 GLN CB C 13 28.900 0.400 . 1 . . . . 43 GLN CB . 16052 1 492 . 1 1 43 43 GLN CG C 13 34.260 0.400 . 1 . . . . 43 GLN CG . 16052 1 493 . 1 1 43 43 GLN N N 15 115.640 0.400 . 1 . . . . 43 GLN N . 16052 1 494 . 1 1 43 43 GLN NE2 N 15 111.450 0.400 . 1 . . . . 43 GLN NE2 . 16052 1 495 . 1 1 44 44 ASP H H 1 7.359 0.020 . 1 . . . . 44 ASP H . 16052 1 496 . 1 1 44 44 ASP HA H 1 4.423 0.020 . 1 . . . . 44 ASP HA . 16052 1 497 . 1 1 44 44 ASP HB2 H 1 2.695 0.020 . 2 . . . . 44 ASP HB2 . 16052 1 498 . 1 1 44 44 ASP HB3 H 1 2.487 0.020 . 2 . . . . 44 ASP HB3 . 16052 1 499 . 1 1 44 44 ASP C C 13 174.900 0.400 . 1 . . . . 44 ASP C . 16052 1 500 . 1 1 44 44 ASP CA C 13 53.510 0.400 . 1 . . . . 44 ASP CA . 16052 1 501 . 1 1 44 44 ASP CB C 13 43.040 0.400 . 1 . . . . 44 ASP CB . 16052 1 502 . 1 1 44 44 ASP N N 15 123.460 0.400 . 1 . . . . 44 ASP N . 16052 1 503 . 1 1 45 45 PRO HA H 1 4.497 0.020 . 1 . . . . 45 PRO HA . 16052 1 504 . 1 1 45 45 PRO HB2 H 1 2.237 0.020 . 2 . . . . 45 PRO HB2 . 16052 1 505 . 1 1 45 45 PRO HB3 H 1 1.987 0.020 . 2 . . . . 45 PRO HB3 . 16052 1 506 . 1 1 45 45 PRO HD2 H 1 3.794 0.020 . 2 . . . . 45 PRO HD2 . 16052 1 507 . 1 1 45 45 PRO HD3 H 1 3.664 0.020 . 2 . . . . 45 PRO HD3 . 16052 1 508 . 1 1 45 45 PRO HG2 H 1 1.899 0.020 . 2 . . . . 45 PRO HG2 . 16052 1 509 . 1 1 45 45 PRO HG3 H 1 1.899 0.020 . 2 . . . . 45 PRO HG3 . 16052 1 510 . 1 1 45 45 PRO C C 13 177.410 0.400 . 1 . . . . 45 PRO C . 16052 1 511 . 1 1 45 45 PRO CA C 13 64.250 0.400 . 1 . . . . 45 PRO CA . 16052 1 512 . 1 1 45 45 PRO CB C 13 32.160 0.400 . 1 . . . . 45 PRO CB . 16052 1 513 . 1 1 45 45 PRO CD C 13 50.730 0.400 . 1 . . . . 45 PRO CD . 16052 1 514 . 1 1 45 45 PRO CG C 13 26.950 0.400 . 1 . . . . 45 PRO CG . 16052 1 515 . 1 1 46 46 GLY H H 1 8.920 0.020 . 1 . . . . 46 GLY H . 16052 1 516 . 1 1 46 46 GLY HA2 H 1 4.322 0.020 . 2 . . . . 46 GLY HA2 . 16052 1 517 . 1 1 46 46 GLY HA3 H 1 3.664 0.020 . 2 . . . . 46 GLY HA3 . 16052 1 518 . 1 1 46 46 GLY C C 13 172.750 0.400 . 1 . . . . 46 GLY C . 16052 1 519 . 1 1 46 46 GLY CA C 13 44.940 0.400 . 1 . . . . 46 GLY CA . 16052 1 520 . 1 1 46 46 GLY N N 15 111.260 0.400 . 1 . . . . 46 GLY N . 16052 1 521 . 1 1 47 47 GLN H H 1 8.081 0.020 . 1 . . . . 47 GLN H . 16052 1 522 . 1 1 47 47 GLN HA H 1 4.477 0.020 . 1 . . . . 47 GLN HA . 16052 1 523 . 1 1 47 47 GLN HB2 H 1 1.957 0.020 . 2 . . . . 47 GLN HB2 . 16052 1 524 . 1 1 47 47 GLN HB3 H 1 1.957 0.020 . 2 . . . . 47 GLN HB3 . 16052 1 525 . 1 1 47 47 GLN HE21 H 1 6.846 0.020 . 2 . . . . 47 GLN HE21 . 16052 1 526 . 1 1 47 47 GLN HE22 H 1 7.630 0.020 . 2 . . . . 47 GLN HE22 . 16052 1 527 . 1 1 47 47 GLN HG2 H 1 2.232 0.020 . 2 . . . . 47 GLN HG2 . 16052 1 528 . 1 1 47 47 GLN HG3 H 1 2.232 0.020 . 2 . . . . 47 GLN HG3 . 16052 1 529 . 1 1 47 47 GLN C C 13 175.810 0.400 . 1 . . . . 47 GLN C . 16052 1 530 . 1 1 47 47 GLN CA C 13 55.350 0.400 . 1 . . . . 47 GLN CA . 16052 1 531 . 1 1 47 47 GLN CB C 13 29.510 0.400 . 1 . . . . 47 GLN CB . 16052 1 532 . 1 1 47 47 GLN CG C 13 33.770 0.400 . 1 . . . . 47 GLN CG . 16052 1 533 . 1 1 47 47 GLN N N 15 120.120 0.400 . 1 . . . . 47 GLN N . 16052 1 534 . 1 1 47 47 GLN NE2 N 15 112.685 0.400 . 1 . . . . 47 GLN NE2 . 16052 1 535 . 1 1 48 48 VAL H H 1 8.643 0.020 . 1 . . . . 48 VAL H . 16052 1 536 . 1 1 48 48 VAL HA H 1 3.670 0.020 . 1 . . . . 48 VAL HA . 16052 1 537 . 1 1 48 48 VAL HB H 1 1.986 0.020 . 1 . . . . 48 VAL HB . 16052 1 538 . 1 1 48 48 VAL HG11 H 1 1.031 0.020 . 2 . . . . 48 VAL HG1 . 16052 1 539 . 1 1 48 48 VAL HG12 H 1 1.031 0.020 . 2 . . . . 48 VAL HG1 . 16052 1 540 . 1 1 48 48 VAL HG13 H 1 1.031 0.020 . 2 . . . . 48 VAL HG1 . 16052 1 541 . 1 1 48 48 VAL HG21 H 1 0.937 0.020 . 2 . . . . 48 VAL HG2 . 16052 1 542 . 1 1 48 48 VAL HG22 H 1 0.937 0.020 . 2 . . . . 48 VAL HG2 . 16052 1 543 . 1 1 48 48 VAL HG23 H 1 0.937 0.020 . 2 . . . . 48 VAL HG2 . 16052 1 544 . 1 1 48 48 VAL C C 13 174.960 0.400 . 1 . . . . 48 VAL C . 16052 1 545 . 1 1 48 48 VAL CA C 13 64.710 0.400 . 1 . . . . 48 VAL CA . 16052 1 546 . 1 1 48 48 VAL CB C 13 32.660 0.400 . 1 . . . . 48 VAL CB . 16052 1 547 . 1 1 48 48 VAL CG1 C 13 23.130 0.400 . 1 . . . . 48 VAL CG1 . 16052 1 548 . 1 1 48 48 VAL CG2 C 13 22.630 0.400 . 1 . . . . 48 VAL CG2 . 16052 1 549 . 1 1 48 48 VAL N N 15 126.640 0.400 . 1 . . . . 48 VAL N . 16052 1 550 . 1 1 49 49 GLU H H 1 9.874 0.020 . 1 . . . . 49 GLU H . 16052 1 551 . 1 1 49 49 GLU HA H 1 4.878 0.020 . 1 . . . . 49 GLU HA . 16052 1 552 . 1 1 49 49 GLU HB2 H 1 2.188 0.020 . 2 . . . . 49 GLU HB2 . 16052 1 553 . 1 1 49 49 GLU HB3 H 1 2.188 0.020 . 2 . . . . 49 GLU HB3 . 16052 1 554 . 1 1 49 49 GLU HG2 H 1 2.415 0.020 . 2 . . . . 49 GLU HG2 . 16052 1 555 . 1 1 49 49 GLU HG3 H 1 2.415 0.020 . 2 . . . . 49 GLU HG3 . 16052 1 556 . 1 1 49 49 GLU C C 13 176.720 0.400 . 1 . . . . 49 GLU C . 16052 1 557 . 1 1 49 49 GLU CA C 13 58.230 0.400 . 1 . . . . 49 GLU CA . 16052 1 558 . 1 1 49 49 GLU CB C 13 33.040 0.400 . 1 . . . . 49 GLU CB . 16052 1 559 . 1 1 49 49 GLU CG C 13 37.420 0.400 . 1 . . . . 49 GLU CG . 16052 1 560 . 1 1 49 49 GLU N N 15 125.820 0.400 . 1 . . . . 49 GLU N . 16052 1 561 . 1 1 50 50 TRP H H 1 8.517 0.020 . 1 . . . . 50 TRP H . 16052 1 562 . 1 1 50 50 TRP HA H 1 5.592 0.020 . 1 . . . . 50 TRP HA . 16052 1 563 . 1 1 50 50 TRP HB2 H 1 2.981 0.020 . 2 . . . . 50 TRP HB2 . 16052 1 564 . 1 1 50 50 TRP HB3 H 1 2.981 0.020 . 2 . . . . 50 TRP HB3 . 16052 1 565 . 1 1 50 50 TRP HD1 H 1 7.220 0.020 . 1 . . . . 50 TRP HD1 . 16052 1 566 . 1 1 50 50 TRP HE1 H 1 10.493 0.020 . 1 . . . . 50 TRP HE1 . 16052 1 567 . 1 1 50 50 TRP HE3 H 1 7.555 0.020 . 1 . . . . 50 TRP HE3 . 16052 1 568 . 1 1 50 50 TRP C C 13 172.700 0.400 . 1 . . . . 50 TRP C . 16052 1 569 . 1 1 50 50 TRP CA C 13 56.400 0.400 . 1 . . . . 50 TRP CA . 16052 1 570 . 1 1 50 50 TRP CB C 13 35.180 0.400 . 1 . . . . 50 TRP CB . 16052 1 571 . 1 1 50 50 TRP N N 15 120.400 0.400 . 1 . . . . 50 TRP N . 16052 1 572 . 1 1 50 50 TRP NE1 N 15 129.200 0.400 . 1 . . . . 50 TRP NE1 . 16052 1 573 . 1 1 51 51 PHE H H 1 9.188 0.020 . 1 . . . . 51 PHE H . 16052 1 574 . 1 1 51 51 PHE HA H 1 5.000 0.020 . 1 . . . . 51 PHE HA . 16052 1 575 . 1 1 51 51 PHE HB2 H 1 3.297 0.020 . 2 . . . . 51 PHE HB2 . 16052 1 576 . 1 1 51 51 PHE HB3 H 1 2.384 0.020 . 2 . . . . 51 PHE HB3 . 16052 1 577 . 1 1 51 51 PHE HD1 H 1 6.998 0.020 . 1 . . . . 51 PHE HD1 . 16052 1 578 . 1 1 51 51 PHE HD2 H 1 6.998 0.020 . 1 . . . . 51 PHE HD2 . 16052 1 579 . 1 1 51 51 PHE HE1 H 1 7.224 0.020 . 1 . . . . 51 PHE HE1 . 16052 1 580 . 1 1 51 51 PHE HE2 H 1 7.224 0.020 . 1 . . . . 51 PHE HE2 . 16052 1 581 . 1 1 51 51 PHE HZ H 1 7.093 0.020 . 1 . . . . 51 PHE HZ . 16052 1 582 . 1 1 51 51 PHE C C 13 172.960 0.400 . 1 . . . . 51 PHE C . 16052 1 583 . 1 1 51 51 PHE CA C 13 56.330 0.400 . 1 . . . . 51 PHE CA . 16052 1 584 . 1 1 51 51 PHE CB C 13 43.870 0.400 . 1 . . . . 51 PHE CB . 16052 1 585 . 1 1 51 51 PHE N N 15 123.570 0.400 . 1 . . . . 51 PHE N . 16052 1 586 . 1 1 52 52 VAL H H 1 9.067 0.020 . 1 . . . . 52 VAL H . 16052 1 587 . 1 1 52 52 VAL HA H 1 4.352 0.020 . 1 . . . . 52 VAL HA . 16052 1 588 . 1 1 52 52 VAL HB H 1 1.877 0.020 . 1 . . . . 52 VAL HB . 16052 1 589 . 1 1 52 52 VAL HG11 H 1 0.828 0.020 . 2 . . . . 52 VAL HG1 . 16052 1 590 . 1 1 52 52 VAL HG12 H 1 0.828 0.020 . 2 . . . . 52 VAL HG1 . 16052 1 591 . 1 1 52 52 VAL HG13 H 1 0.828 0.020 . 2 . . . . 52 VAL HG1 . 16052 1 592 . 1 1 52 52 VAL HG21 H 1 0.465 0.020 . 2 . . . . 52 VAL HG2 . 16052 1 593 . 1 1 52 52 VAL HG22 H 1 0.465 0.020 . 2 . . . . 52 VAL HG2 . 16052 1 594 . 1 1 52 52 VAL HG23 H 1 0.465 0.020 . 2 . . . . 52 VAL HG2 . 16052 1 595 . 1 1 52 52 VAL C C 13 173.650 0.400 . 1 . . . . 52 VAL C . 16052 1 596 . 1 1 52 52 VAL CA C 13 59.980 0.400 . 1 . . . . 52 VAL CA . 16052 1 597 . 1 1 52 52 VAL CB C 13 33.490 0.400 . 1 . . . . 52 VAL CB . 16052 1 598 . 1 1 52 52 VAL CG1 C 13 21.930 0.400 . 1 . . . . 52 VAL CG1 . 16052 1 599 . 1 1 52 52 VAL CG2 C 13 21.650 0.400 . 1 . . . . 52 VAL CG2 . 16052 1 600 . 1 1 52 52 VAL N N 15 126.880 0.400 . 1 . . . . 52 VAL N . 16052 1 601 . 1 1 53 53 LEU H H 1 8.738 0.020 . 1 . . . . 53 LEU H . 16052 1 602 . 1 1 53 53 LEU HA H 1 4.878 0.020 . 1 . . . . 53 LEU HA . 16052 1 603 . 1 1 53 53 LEU HB2 H 1 2.174 0.020 . 2 . . . . 53 LEU HB2 . 16052 1 604 . 1 1 53 53 LEU HB3 H 1 1.638 0.020 . 2 . . . . 53 LEU HB3 . 16052 1 605 . 1 1 53 53 LEU HD11 H 1 0.718 0.020 . 2 . . . . 53 LEU HD1 . 16052 1 606 . 1 1 53 53 LEU HD12 H 1 0.718 0.020 . 2 . . . . 53 LEU HD1 . 16052 1 607 . 1 1 53 53 LEU HD13 H 1 0.718 0.020 . 2 . . . . 53 LEU HD1 . 16052 1 608 . 1 1 53 53 LEU HD21 H 1 0.820 0.020 . 2 . . . . 53 LEU HD2 . 16052 1 609 . 1 1 53 53 LEU HD22 H 1 0.820 0.020 . 2 . . . . 53 LEU HD2 . 16052 1 610 . 1 1 53 53 LEU HD23 H 1 0.820 0.020 . 2 . . . . 53 LEU HD2 . 16052 1 611 . 1 1 53 53 LEU HG H 1 1.495 0.020 . 1 . . . . 53 LEU HG . 16052 1 612 . 1 1 53 53 LEU C C 13 175.570 0.400 . 1 . . . . 53 LEU C . 16052 1 613 . 1 1 53 53 LEU CA C 13 53.750 0.400 . 1 . . . . 53 LEU CA . 16052 1 614 . 1 1 53 53 LEU CB C 13 45.360 0.400 . 1 . . . . 53 LEU CB . 16052 1 615 . 1 1 53 53 LEU CD1 C 13 24.960 0.400 . 1 . . . . 53 LEU CD1 . 16052 1 616 . 1 1 53 53 LEU CD2 C 13 24.960 0.400 . 1 . . . . 53 LEU CD2 . 16052 1 617 . 1 1 53 53 LEU CG C 13 27.670 0.400 . 1 . . . . 53 LEU CG . 16052 1 618 . 1 1 53 53 LEU N N 15 127.840 0.400 . 1 . . . . 53 LEU N . 16052 1 619 . 1 1 54 54 ASN H H 1 9.283 0.020 . 1 . . . . 54 ASN H . 16052 1 620 . 1 1 54 54 ASN HA H 1 4.564 0.020 . 1 . . . . 54 ASN HA . 16052 1 621 . 1 1 54 54 ASN HB2 H 1 2.960 0.020 . 2 . . . . 54 ASN HB2 . 16052 1 622 . 1 1 54 54 ASN HB3 H 1 2.161 0.020 . 2 . . . . 54 ASN HB3 . 16052 1 623 . 1 1 54 54 ASN HD21 H 1 6.916 0.020 . 2 . . . . 54 ASN HD21 . 16052 1 624 . 1 1 54 54 ASN HD22 H 1 7.547 0.020 . 2 . . . . 54 ASN HD22 . 16052 1 625 . 1 1 54 54 ASN C C 13 174.860 0.400 . 1 . . . . 54 ASN C . 16052 1 626 . 1 1 54 54 ASN CA C 13 52.670 0.400 . 1 . . . . 54 ASN CA . 16052 1 627 . 1 1 54 54 ASN CB C 13 37.570 0.400 . 1 . . . . 54 ASN CB . 16052 1 628 . 1 1 54 54 ASN N N 15 126.320 0.400 . 1 . . . . 54 ASN N . 16052 1 629 . 1 1 54 54 ASN ND2 N 15 107.650 0.400 . 1 . . . . 54 ASN ND2 . 16052 1 630 . 1 1 55 55 ALA H H 1 8.828 0.020 . 1 . . . . 55 ALA H . 16052 1 631 . 1 1 55 55 ALA HA H 1 4.567 0.020 . 1 . . . . 55 ALA HA . 16052 1 632 . 1 1 55 55 ALA HB1 H 1 1.316 0.020 . 1 . . . . 55 ALA HB . 16052 1 633 . 1 1 55 55 ALA HB2 H 1 1.316 0.020 . 1 . . . . 55 ALA HB . 16052 1 634 . 1 1 55 55 ALA HB3 H 1 1.316 0.020 . 1 . . . . 55 ALA HB . 16052 1 635 . 1 1 55 55 ALA C C 13 177.340 0.400 . 1 . . . . 55 ALA C . 16052 1 636 . 1 1 55 55 ALA CA C 13 51.920 0.400 . 1 . . . . 55 ALA CA . 16052 1 637 . 1 1 55 55 ALA CB C 13 19.150 0.400 . 1 . . . . 55 ALA CB . 16052 1 638 . 1 1 55 55 ALA N N 15 130.230 0.400 . 1 . . . . 55 ALA N . 16052 1 639 . 1 1 56 56 GLU H H 1 7.924 0.020 . 1 . . . . 56 GLU H . 16052 1 640 . 1 1 56 56 GLU HA H 1 4.298 0.020 . 1 . . . . 56 GLU HA . 16052 1 641 . 1 1 56 56 GLU HB2 H 1 1.998 0.020 . 2 . . . . 56 GLU HB2 . 16052 1 642 . 1 1 56 56 GLU HB3 H 1 1.998 0.020 . 2 . . . . 56 GLU HB3 . 16052 1 643 . 1 1 56 56 GLU HG2 H 1 2.155 0.020 . 2 . . . . 56 GLU HG2 . 16052 1 644 . 1 1 56 56 GLU HG3 H 1 2.155 0.020 . 2 . . . . 56 GLU HG3 . 16052 1 645 . 1 1 56 56 GLU C C 13 176.320 0.400 . 1 . . . . 56 GLU C . 16052 1 646 . 1 1 56 56 GLU CA C 13 59.480 0.400 . 1 . . . . 56 GLU CA . 16052 1 647 . 1 1 56 56 GLU CB C 13 30.090 0.400 . 1 . . . . 56 GLU CB . 16052 1 648 . 1 1 56 56 GLU CG C 13 35.350 0.400 . 1 . . . . 56 GLU CG . 16052 1 649 . 1 1 56 56 GLU N N 15 120.270 0.400 . 1 . . . . 56 GLU N . 16052 1 650 . 1 1 57 57 SER H H 1 8.407 0.020 . 1 . . . . 57 SER H . 16052 1 651 . 1 1 57 57 SER HA H 1 4.430 0.020 . 1 . . . . 57 SER HA . 16052 1 652 . 1 1 57 57 SER HB2 H 1 3.720 0.020 . 2 . . . . 57 SER HB2 . 16052 1 653 . 1 1 57 57 SER HB3 H 1 3.720 0.020 . 2 . . . . 57 SER HB3 . 16052 1 654 . 1 1 57 57 SER CA C 13 59.090 0.400 . 1 . . . . 57 SER CA . 16052 1 655 . 1 1 57 57 SER CB C 13 64.120 0.400 . 1 . . . . 57 SER CB . 16052 1 656 . 1 1 57 57 SER N N 15 112.940 0.400 . 1 . . . . 57 SER N . 16052 1 657 . 1 1 58 58 ASN HA H 1 4.806 0.020 . 1 . . . . 58 ASN HA . 16052 1 658 . 1 1 58 58 ASN HB2 H 1 2.686 0.020 . 2 . . . . 58 ASN HB2 . 16052 1 659 . 1 1 58 58 ASN HB3 H 1 2.686 0.020 . 2 . . . . 58 ASN HB3 . 16052 1 660 . 1 1 58 58 ASN HD21 H 1 7.085 0.020 . 2 . . . . 58 ASN HD21 . 16052 1 661 . 1 1 58 58 ASN HD22 H 1 7.343 0.020 . 2 . . . . 58 ASN HD22 . 16052 1 662 . 1 1 58 58 ASN C C 13 173.770 0.400 . 1 . . . . 58 ASN C . 16052 1 663 . 1 1 58 58 ASN CA C 13 54.420 0.400 . 1 . . . . 58 ASN CA . 16052 1 664 . 1 1 58 58 ASN CB C 13 40.180 0.400 . 1 . . . . 58 ASN CB . 16052 1 665 . 1 1 58 58 ASN ND2 N 15 110.470 0.400 . 1 . . . . 58 ASN ND2 . 16052 1 666 . 1 1 59 59 VAL H H 1 8.293 0.020 . 1 . . . . 59 VAL H . 16052 1 667 . 1 1 59 59 VAL HA H 1 4.132 0.020 . 1 . . . . 59 VAL HA . 16052 1 668 . 1 1 59 59 VAL HB H 1 2.023 0.020 . 1 . . . . 59 VAL HB . 16052 1 669 . 1 1 59 59 VAL HG11 H 1 0.923 0.020 . 2 . . . . 59 VAL HG1 . 16052 1 670 . 1 1 59 59 VAL HG12 H 1 0.923 0.020 . 2 . . . . 59 VAL HG1 . 16052 1 671 . 1 1 59 59 VAL HG13 H 1 0.923 0.020 . 2 . . . . 59 VAL HG1 . 16052 1 672 . 1 1 59 59 VAL HG21 H 1 0.923 0.020 . 2 . . . . 59 VAL HG2 . 16052 1 673 . 1 1 59 59 VAL HG22 H 1 0.923 0.020 . 2 . . . . 59 VAL HG2 . 16052 1 674 . 1 1 59 59 VAL HG23 H 1 0.923 0.020 . 2 . . . . 59 VAL HG2 . 16052 1 675 . 1 1 59 59 VAL C C 13 177.130 0.400 . 1 . . . . 59 VAL C . 16052 1 676 . 1 1 59 59 VAL CA C 13 62.840 0.400 . 1 . . . . 59 VAL CA . 16052 1 677 . 1 1 59 59 VAL CB C 13 33.110 0.400 . 1 . . . . 59 VAL CB . 16052 1 678 . 1 1 59 59 VAL CG1 C 13 22.080 0.400 . 1 . . . . 59 VAL CG1 . 16052 1 679 . 1 1 59 59 VAL CG2 C 13 20.270 0.400 . 1 . . . . 59 VAL CG2 . 16052 1 680 . 1 1 59 59 VAL N N 15 119.630 0.400 . 1 . . . . 59 VAL N . 16052 1 681 . 1 1 60 60 GLU H H 1 8.020 0.020 . 1 . . . . 60 GLU H . 16052 1 682 . 1 1 60 60 GLU HA H 1 4.375 0.020 . 1 . . . . 60 GLU HA . 16052 1 683 . 1 1 60 60 GLU HB2 H 1 1.943 0.020 . 2 . . . . 60 GLU HB2 . 16052 1 684 . 1 1 60 60 GLU HB3 H 1 1.943 0.020 . 2 . . . . 60 GLU HB3 . 16052 1 685 . 1 1 60 60 GLU HG2 H 1 2.160 0.020 . 2 . . . . 60 GLU HG2 . 16052 1 686 . 1 1 60 60 GLU HG3 H 1 2.160 0.020 . 2 . . . . 60 GLU HG3 . 16052 1 687 . 1 1 60 60 GLU C C 13 175.390 0.400 . 1 . . . . 60 GLU C . 16052 1 688 . 1 1 60 60 GLU CA C 13 56.410 0.400 . 1 . . . . 60 GLU CA . 16052 1 689 . 1 1 60 60 GLU CB C 13 31.030 0.400 . 1 . . . . 60 GLU CB . 16052 1 690 . 1 1 60 60 GLU CG C 13 36.000 0.400 . 1 . . . . 60 GLU CG . 16052 1 691 . 1 1 60 60 GLU N N 15 120.410 0.400 . 1 . . . . 60 GLU N . 16052 1 692 . 1 1 61 61 VAL H H 1 8.161 0.020 . 1 . . . . 61 VAL H . 16052 1 693 . 1 1 61 61 VAL HA H 1 4.496 0.020 . 1 . . . . 61 VAL HA . 16052 1 694 . 1 1 61 61 VAL HB H 1 1.962 0.020 . 1 . . . . 61 VAL HB . 16052 1 695 . 1 1 61 61 VAL HG11 H 1 0.807 0.020 . 2 . . . . 61 VAL HG1 . 16052 1 696 . 1 1 61 61 VAL HG12 H 1 0.807 0.020 . 2 . . . . 61 VAL HG1 . 16052 1 697 . 1 1 61 61 VAL HG13 H 1 0.807 0.020 . 2 . . . . 61 VAL HG1 . 16052 1 698 . 1 1 61 61 VAL HG21 H 1 0.807 0.020 . 2 . . . . 61 VAL HG2 . 16052 1 699 . 1 1 61 61 VAL HG22 H 1 0.807 0.020 . 2 . . . . 61 VAL HG2 . 16052 1 700 . 1 1 61 61 VAL HG23 H 1 0.807 0.020 . 2 . . . . 61 VAL HG2 . 16052 1 701 . 1 1 61 61 VAL C C 13 176.360 0.400 . 1 . . . . 61 VAL C . 16052 1 702 . 1 1 61 61 VAL CA C 13 61.300 0.400 . 1 . . . . 61 VAL CA . 16052 1 703 . 1 1 61 61 VAL CB C 13 33.960 0.400 . 1 . . . . 61 VAL CB . 16052 1 704 . 1 1 61 61 VAL CG1 C 13 20.330 0.400 . 1 . . . . 61 VAL CG1 . 16052 1 705 . 1 1 61 61 VAL CG2 C 13 21.890 0.400 . 1 . . . . 61 VAL CG2 . 16052 1 706 . 1 1 61 61 VAL N N 15 118.280 0.400 . 1 . . . . 61 VAL N . 16052 1 707 . 1 1 62 62 ASP H H 1 7.940 0.020 . 1 . . . . 62 ASP H . 16052 1 708 . 1 1 62 62 ASP HA H 1 4.675 0.020 . 1 . . . . 62 ASP HA . 16052 1 709 . 1 1 62 62 ASP HB2 H 1 3.137 0.020 . 2 . . . . 62 ASP HB2 . 16052 1 710 . 1 1 62 62 ASP HB3 H 1 2.762 0.020 . 2 . . . . 62 ASP HB3 . 16052 1 711 . 1 1 62 62 ASP C C 13 176.030 0.400 . 1 . . . . 62 ASP C . 16052 1 712 . 1 1 62 62 ASP CA C 13 53.190 0.400 . 1 . . . . 62 ASP CA . 16052 1 713 . 1 1 62 62 ASP CB C 13 42.540 0.400 . 1 . . . . 62 ASP CB . 16052 1 714 . 1 1 62 62 ASP N N 15 123.410 0.400 . 1 . . . . 62 ASP N . 16052 1 715 . 1 1 63 63 LEU H H 1 8.335 0.020 . 1 . . . . 63 LEU H . 16052 1 716 . 1 1 63 63 LEU HA H 1 4.084 0.020 . 1 . . . . 63 LEU HA . 16052 1 717 . 1 1 63 63 LEU HB2 H 1 1.782 0.020 . 2 . . . . 63 LEU HB2 . 16052 1 718 . 1 1 63 63 LEU HB3 H 1 1.782 0.020 . 2 . . . . 63 LEU HB3 . 16052 1 719 . 1 1 63 63 LEU HD11 H 1 1.180 0.020 . 2 . . . . 63 LEU HD1 . 16052 1 720 . 1 1 63 63 LEU HD12 H 1 1.180 0.020 . 2 . . . . 63 LEU HD1 . 16052 1 721 . 1 1 63 63 LEU HD13 H 1 1.180 0.020 . 2 . . . . 63 LEU HD1 . 16052 1 722 . 1 1 63 63 LEU HD21 H 1 0.920 0.020 . 2 . . . . 63 LEU HD2 . 16052 1 723 . 1 1 63 63 LEU HD22 H 1 0.920 0.020 . 2 . . . . 63 LEU HD2 . 16052 1 724 . 1 1 63 63 LEU HD23 H 1 0.920 0.020 . 2 . . . . 63 LEU HD2 . 16052 1 725 . 1 1 63 63 LEU HG H 1 1.586 0.020 . 1 . . . . 63 LEU HG . 16052 1 726 . 1 1 63 63 LEU C C 13 179.730 0.400 . 1 . . . . 63 LEU C . 16052 1 727 . 1 1 63 63 LEU CA C 13 53.110 0.400 . 1 . . . . 63 LEU CA . 16052 1 728 . 1 1 63 63 LEU CB C 13 42.350 0.400 . 1 . . . . 63 LEU CB . 16052 1 729 . 1 1 63 63 LEU CD1 C 13 22.890 0.400 . 1 . . . . 63 LEU CD1 . 16052 1 730 . 1 1 63 63 LEU CD2 C 13 22.890 0.400 . 1 . . . . 63 LEU CD2 . 16052 1 731 . 1 1 63 63 LEU CG C 13 26.030 0.400 . 1 . . . . 63 LEU CG . 16052 1 732 . 1 1 63 63 LEU N N 15 118.850 0.400 . 1 . . . . 63 LEU N . 16052 1 733 . 1 1 64 64 THR H H 1 8.198 0.020 . 1 . . . . 64 THR H . 16052 1 734 . 1 1 64 64 THR HA H 1 4.113 0.020 . 1 . . . . 64 THR HA . 16052 1 735 . 1 1 64 64 THR HB H 1 4.122 0.020 . 1 . . . . 64 THR HB . 16052 1 736 . 1 1 64 64 THR HG21 H 1 1.301 0.020 . 1 . . . . 64 THR HG2 . 16052 1 737 . 1 1 64 64 THR HG22 H 1 1.301 0.020 . 1 . . . . 64 THR HG2 . 16052 1 738 . 1 1 64 64 THR HG23 H 1 1.301 0.020 . 1 . . . . 64 THR HG2 . 16052 1 739 . 1 1 64 64 THR C C 13 176.970 0.400 . 1 . . . . 64 THR C . 16052 1 740 . 1 1 64 64 THR CA C 13 66.520 0.400 . 1 . . . . 64 THR CA . 16052 1 741 . 1 1 64 64 THR CB C 13 68.660 0.400 . 1 . . . . 64 THR CB . 16052 1 742 . 1 1 64 64 THR CG2 C 13 22.270 0.400 . 1 . . . . 64 THR CG2 . 16052 1 743 . 1 1 64 64 THR N N 15 115.440 0.400 . 1 . . . . 64 THR N . 16052 1 744 . 1 1 65 65 ALA H H 1 8.502 0.020 . 1 . . . . 65 ALA H . 16052 1 745 . 1 1 65 65 ALA HA H 1 3.876 0.020 . 1 . . . . 65 ALA HA . 16052 1 746 . 1 1 65 65 ALA HB1 H 1 1.211 0.020 . 1 . . . . 65 ALA HB . 16052 1 747 . 1 1 65 65 ALA HB2 H 1 1.211 0.020 . 1 . . . . 65 ALA HB . 16052 1 748 . 1 1 65 65 ALA HB3 H 1 1.211 0.020 . 1 . . . . 65 ALA HB . 16052 1 749 . 1 1 65 65 ALA C C 13 178.770 0.400 . 1 . . . . 65 ALA C . 16052 1 750 . 1 1 65 65 ALA CA C 13 55.080 0.400 . 1 . . . . 65 ALA CA . 16052 1 751 . 1 1 65 65 ALA CB C 13 18.830 0.400 . 1 . . . . 65 ALA CB . 16052 1 752 . 1 1 65 65 ALA N N 15 126.230 0.400 . 1 . . . . 65 ALA N . 16052 1 753 . 1 1 66 66 LEU H H 1 8.037 0.020 . 1 . . . . 66 LEU H . 16052 1 754 . 1 1 66 66 LEU HA H 1 3.830 0.020 . 1 . . . . 66 LEU HA . 16052 1 755 . 1 1 66 66 LEU HB2 H 1 1.917 0.020 . 2 . . . . 66 LEU HB2 . 16052 1 756 . 1 1 66 66 LEU HB3 H 1 1.707 0.020 . 2 . . . . 66 LEU HB3 . 16052 1 757 . 1 1 66 66 LEU HD11 H 1 0.791 0.020 . 2 . . . . 66 LEU HD1 . 16052 1 758 . 1 1 66 66 LEU HD12 H 1 0.791 0.020 . 2 . . . . 66 LEU HD1 . 16052 1 759 . 1 1 66 66 LEU HD13 H 1 0.791 0.020 . 2 . . . . 66 LEU HD1 . 16052 1 760 . 1 1 66 66 LEU HD21 H 1 0.791 0.020 . 2 . . . . 66 LEU HD2 . 16052 1 761 . 1 1 66 66 LEU HD22 H 1 0.791 0.020 . 2 . . . . 66 LEU HD2 . 16052 1 762 . 1 1 66 66 LEU HD23 H 1 0.791 0.020 . 2 . . . . 66 LEU HD2 . 16052 1 763 . 1 1 66 66 LEU HG H 1 1.333 0.020 . 1 . . . . 66 LEU HG . 16052 1 764 . 1 1 66 66 LEU C C 13 178.840 0.400 . 1 . . . . 66 LEU C . 16052 1 765 . 1 1 66 66 LEU CA C 13 58.450 0.400 . 1 . . . . 66 LEU CA . 16052 1 766 . 1 1 66 66 LEU CB C 13 41.210 0.400 . 1 . . . . 66 LEU CB . 16052 1 767 . 1 1 66 66 LEU CD1 C 13 23.430 0.400 . 1 . . . . 66 LEU CD1 . 16052 1 768 . 1 1 66 66 LEU CD2 C 13 23.430 0.400 . 1 . . . . 66 LEU CD2 . 16052 1 769 . 1 1 66 66 LEU CG C 13 27.430 0.400 . 1 . . . . 66 LEU CG . 16052 1 770 . 1 1 66 66 LEU N N 15 117.340 0.400 . 1 . . . . 66 LEU N . 16052 1 771 . 1 1 67 67 ASP H H 1 7.894 0.020 . 1 . . . . 67 ASP H . 16052 1 772 . 1 1 67 67 ASP HA H 1 4.423 0.020 . 1 . . . . 67 ASP HA . 16052 1 773 . 1 1 67 67 ASP HB2 H 1 2.796 0.020 . 2 . . . . 67 ASP HB2 . 16052 1 774 . 1 1 67 67 ASP HB3 H 1 2.701 0.020 . 2 . . . . 67 ASP HB3 . 16052 1 775 . 1 1 67 67 ASP C C 13 178.260 0.400 . 1 . . . . 67 ASP C . 16052 1 776 . 1 1 67 67 ASP CA C 13 57.870 0.400 . 1 . . . . 67 ASP CA . 16052 1 777 . 1 1 67 67 ASP CB C 13 41.370 0.400 . 1 . . . . 67 ASP CB . 16052 1 778 . 1 1 67 67 ASP N N 15 119.160 0.400 . 1 . . . . 67 ASP N . 16052 1 779 . 1 1 68 68 ALA H H 1 7.810 0.020 . 1 . . . . 68 ALA H . 16052 1 780 . 1 1 68 68 ALA HA H 1 4.071 0.020 . 1 . . . . 68 ALA HA . 16052 1 781 . 1 1 68 68 ALA HB1 H 1 1.528 0.020 . 1 . . . . 68 ALA HB . 16052 1 782 . 1 1 68 68 ALA HB2 H 1 1.528 0.020 . 1 . . . . 68 ALA HB . 16052 1 783 . 1 1 68 68 ALA HB3 H 1 1.528 0.020 . 1 . . . . 68 ALA HB . 16052 1 784 . 1 1 68 68 ALA C C 13 180.060 0.400 . 1 . . . . 68 ALA C . 16052 1 785 . 1 1 68 68 ALA CA C 13 55.690 0.400 . 1 . . . . 68 ALA CA . 16052 1 786 . 1 1 68 68 ALA CB C 13 18.930 0.400 . 1 . . . . 68 ALA CB . 16052 1 787 . 1 1 68 68 ALA N N 15 121.990 0.400 . 1 . . . . 68 ALA N . 16052 1 788 . 1 1 69 69 LEU H H 1 7.989 0.020 . 1 . . . . 69 LEU H . 16052 1 789 . 1 1 69 69 LEU HA H 1 3.913 0.020 . 1 . . . . 69 LEU HA . 16052 1 790 . 1 1 69 69 LEU HB2 H 1 1.978 0.020 . 2 . . . . 69 LEU HB2 . 16052 1 791 . 1 1 69 69 LEU HB3 H 1 1.809 0.020 . 2 . . . . 69 LEU HB3 . 16052 1 792 . 1 1 69 69 LEU HD11 H 1 0.830 0.020 . 2 . . . . 69 LEU HD1 . 16052 1 793 . 1 1 69 69 LEU HD12 H 1 0.830 0.020 . 2 . . . . 69 LEU HD1 . 16052 1 794 . 1 1 69 69 LEU HD13 H 1 0.830 0.020 . 2 . . . . 69 LEU HD1 . 16052 1 795 . 1 1 69 69 LEU HD21 H 1 0.830 0.020 . 2 . . . . 69 LEU HD2 . 16052 1 796 . 1 1 69 69 LEU HD22 H 1 0.830 0.020 . 2 . . . . 69 LEU HD2 . 16052 1 797 . 1 1 69 69 LEU HD23 H 1 0.830 0.020 . 2 . . . . 69 LEU HD2 . 16052 1 798 . 1 1 69 69 LEU HG H 1 1.509 0.020 . 1 . . . . 69 LEU HG . 16052 1 799 . 1 1 69 69 LEU C C 13 178.250 0.400 . 1 . . . . 69 LEU C . 16052 1 800 . 1 1 69 69 LEU CA C 13 58.600 0.400 . 1 . . . . 69 LEU CA . 16052 1 801 . 1 1 69 69 LEU CB C 13 42.430 0.400 . 1 . . . . 69 LEU CB . 16052 1 802 . 1 1 69 69 LEU CD1 C 13 24.900 0.400 . 1 . . . . 69 LEU CD1 . 16052 1 803 . 1 1 69 69 LEU CD2 C 13 25.590 0.400 . 1 . . . . 69 LEU CD2 . 16052 1 804 . 1 1 69 69 LEU CG C 13 27.940 0.400 . 1 . . . . 69 LEU CG . 16052 1 805 . 1 1 69 69 LEU N N 15 118.040 0.400 . 1 . . . . 69 LEU N . 16052 1 806 . 1 1 70 70 ASP H H 1 7.948 0.020 . 1 . . . . 70 ASP H . 16052 1 807 . 1 1 70 70 ASP HA H 1 4.208 0.020 . 1 . . . . 70 ASP HA . 16052 1 808 . 1 1 70 70 ASP HB2 H 1 2.857 0.020 . 2 . . . . 70 ASP HB2 . 16052 1 809 . 1 1 70 70 ASP HB3 H 1 2.629 0.020 . 2 . . . . 70 ASP HB3 . 16052 1 810 . 1 1 70 70 ASP C C 13 178.650 0.400 . 1 . . . . 70 ASP C . 16052 1 811 . 1 1 70 70 ASP CA C 13 57.950 0.400 . 1 . . . . 70 ASP CA . 16052 1 812 . 1 1 70 70 ASP CB C 13 42.490 0.400 . 1 . . . . 70 ASP CB . 16052 1 813 . 1 1 70 70 ASP N N 15 119.170 0.400 . 1 . . . . 70 ASP N . 16052 1 814 . 1 1 71 71 GLN H H 1 8.619 0.020 . 1 . . . . 71 GLN H . 16052 1 815 . 1 1 71 71 GLN HA H 1 3.920 0.020 . 1 . . . . 71 GLN HA . 16052 1 816 . 1 1 71 71 GLN HB2 H 1 1.999 0.020 . 2 . . . . 71 GLN HB2 . 16052 1 817 . 1 1 71 71 GLN HB3 H 1 1.999 0.020 . 2 . . . . 71 GLN HB3 . 16052 1 818 . 1 1 71 71 GLN HE21 H 1 6.670 0.020 . 2 . . . . 71 GLN HE21 . 16052 1 819 . 1 1 71 71 GLN HE22 H 1 7.583 0.020 . 2 . . . . 71 GLN HE22 . 16052 1 820 . 1 1 71 71 GLN HG2 H 1 2.533 0.020 . 2 . . . . 71 GLN HG2 . 16052 1 821 . 1 1 71 71 GLN HG3 H 1 2.533 0.020 . 2 . . . . 71 GLN HG3 . 16052 1 822 . 1 1 71 71 GLN C C 13 179.480 0.400 . 1 . . . . 71 GLN C . 16052 1 823 . 1 1 71 71 GLN CA C 13 59.560 0.400 . 1 . . . . 71 GLN CA . 16052 1 824 . 1 1 71 71 GLN CB C 13 28.690 0.400 . 1 . . . . 71 GLN CB . 16052 1 825 . 1 1 71 71 GLN CG C 13 34.140 0.400 . 1 . . . . 71 GLN CG . 16052 1 826 . 1 1 71 71 GLN N N 15 118.500 0.400 . 1 . . . . 71 GLN N . 16052 1 827 . 1 1 71 71 GLN NE2 N 15 112.245 0.400 . 1 . . . . 71 GLN NE2 . 16052 1 828 . 1 1 72 72 LEU H H 1 8.202 0.020 . 1 . . . . 72 LEU H . 16052 1 829 . 1 1 72 72 LEU HA H 1 3.803 0.020 . 1 . . . . 72 LEU HA . 16052 1 830 . 1 1 72 72 LEU HB2 H 1 1.848 0.020 . 2 . . . . 72 LEU HB2 . 16052 1 831 . 1 1 72 72 LEU HB3 H 1 1.848 0.020 . 2 . . . . 72 LEU HB3 . 16052 1 832 . 1 1 72 72 LEU HD11 H 1 0.518 0.020 . 2 . . . . 72 LEU HD1 . 16052 1 833 . 1 1 72 72 LEU HD12 H 1 0.518 0.020 . 2 . . . . 72 LEU HD1 . 16052 1 834 . 1 1 72 72 LEU HD13 H 1 0.518 0.020 . 2 . . . . 72 LEU HD1 . 16052 1 835 . 1 1 72 72 LEU HD21 H 1 0.930 0.020 . 2 . . . . 72 LEU HD2 . 16052 1 836 . 1 1 72 72 LEU HD22 H 1 0.930 0.020 . 2 . . . . 72 LEU HD2 . 16052 1 837 . 1 1 72 72 LEU HD23 H 1 0.930 0.020 . 2 . . . . 72 LEU HD2 . 16052 1 838 . 1 1 72 72 LEU HG H 1 1.222 0.020 . 1 . . . . 72 LEU HG . 16052 1 839 . 1 1 72 72 LEU C C 13 176.980 0.400 . 1 . . . . 72 LEU C . 16052 1 840 . 1 1 72 72 LEU CA C 13 58.230 0.400 . 1 . . . . 72 LEU CA . 16052 1 841 . 1 1 72 72 LEU CB C 13 41.680 0.400 . 1 . . . . 72 LEU CB . 16052 1 842 . 1 1 72 72 LEU CD1 C 13 26.890 0.400 . 1 . . . . 72 LEU CD1 . 16052 1 843 . 1 1 72 72 LEU CD2 C 13 24.930 0.400 . 1 . . . . 72 LEU CD2 . 16052 1 844 . 1 1 72 72 LEU CG C 13 27.590 0.400 . 1 . . . . 72 LEU CG . 16052 1 845 . 1 1 72 72 LEU N N 15 121.520 0.400 . 1 . . . . 72 LEU N . 16052 1 846 . 1 1 73 73 ARG H H 1 8.087 0.020 . 1 . . . . 73 ARG H . 16052 1 847 . 1 1 73 73 ARG HA H 1 4.218 0.020 . 1 . . . . 73 ARG HA . 16052 1 848 . 1 1 73 73 ARG HB2 H 1 2.043 0.020 . 2 . . . . 73 ARG HB2 . 16052 1 849 . 1 1 73 73 ARG HB3 H 1 1.853 0.020 . 2 . . . . 73 ARG HB3 . 16052 1 850 . 1 1 73 73 ARG HD2 H 1 3.212 0.020 . 2 . . . . 73 ARG HD2 . 16052 1 851 . 1 1 73 73 ARG HD3 H 1 3.212 0.020 . 2 . . . . 73 ARG HD3 . 16052 1 852 . 1 1 73 73 ARG HG2 H 1 1.665 0.020 . 2 . . . . 73 ARG HG2 . 16052 1 853 . 1 1 73 73 ARG HG3 H 1 1.665 0.020 . 2 . . . . 73 ARG HG3 . 16052 1 854 . 1 1 73 73 ARG C C 13 178.300 0.400 . 1 . . . . 73 ARG C . 16052 1 855 . 1 1 73 73 ARG CA C 13 60.580 0.400 . 1 . . . . 73 ARG CA . 16052 1 856 . 1 1 73 73 ARG CB C 13 29.300 0.400 . 1 . . . . 73 ARG CB . 16052 1 857 . 1 1 73 73 ARG CD C 13 43.200 0.400 . 1 . . . . 73 ARG CD . 16052 1 858 . 1 1 73 73 ARG CG C 13 27.670 0.400 . 1 . . . . 73 ARG CG . 16052 1 859 . 1 1 73 73 ARG N N 15 118.920 0.400 . 1 . . . . 73 ARG N . 16052 1 860 . 1 1 74 74 THR H H 1 8.353 0.020 . 1 . . . . 74 THR H . 16052 1 861 . 1 1 74 74 THR HA H 1 3.692 0.020 . 1 . . . . 74 THR HA . 16052 1 862 . 1 1 74 74 THR HB H 1 4.179 0.020 . 1 . . . . 74 THR HB . 16052 1 863 . 1 1 74 74 THR HG21 H 1 1.145 0.020 . 1 . . . . 74 THR HG2 . 16052 1 864 . 1 1 74 74 THR HG22 H 1 1.145 0.020 . 1 . . . . 74 THR HG2 . 16052 1 865 . 1 1 74 74 THR HG23 H 1 1.145 0.020 . 1 . . . . 74 THR HG2 . 16052 1 866 . 1 1 74 74 THR C C 13 174.750 0.400 . 1 . . . . 74 THR C . 16052 1 867 . 1 1 74 74 THR CA C 13 67.290 0.400 . 1 . . . . 74 THR CA . 16052 1 868 . 1 1 74 74 THR CB C 13 68.850 0.400 . 1 . . . . 74 THR CB . 16052 1 869 . 1 1 74 74 THR CG2 C 13 21.890 0.400 . 1 . . . . 74 THR CG2 . 16052 1 870 . 1 1 74 74 THR N N 15 115.210 0.400 . 1 . . . . 74 THR N . 16052 1 871 . 1 1 75 75 GLU H H 1 7.958 0.020 . 1 . . . . 75 GLU H . 16052 1 872 . 1 1 75 75 GLU HA H 1 4.083 0.020 . 1 . . . . 75 GLU HA . 16052 1 873 . 1 1 75 75 GLU HB2 H 1 1.998 0.020 . 2 . . . . 75 GLU HB2 . 16052 1 874 . 1 1 75 75 GLU HB3 H 1 1.998 0.020 . 2 . . . . 75 GLU HB3 . 16052 1 875 . 1 1 75 75 GLU HG2 H 1 2.322 0.020 . 2 . . . . 75 GLU HG2 . 16052 1 876 . 1 1 75 75 GLU HG3 H 1 2.322 0.020 . 2 . . . . 75 GLU HG3 . 16052 1 877 . 1 1 75 75 GLU C C 13 178.960 0.400 . 1 . . . . 75 GLU C . 16052 1 878 . 1 1 75 75 GLU CA C 13 59.450 0.400 . 1 . . . . 75 GLU CA . 16052 1 879 . 1 1 75 75 GLU CB C 13 29.090 0.400 . 1 . . . . 75 GLU CB . 16052 1 880 . 1 1 75 75 GLU CG C 13 35.930 0.400 . 1 . . . . 75 GLU CG . 16052 1 881 . 1 1 75 75 GLU N N 15 123.500 0.400 . 1 . . . . 75 GLU N . 16052 1 882 . 1 1 76 76 LEU H H 1 8.349 0.020 . 1 . . . . 76 LEU H . 16052 1 883 . 1 1 76 76 LEU HA H 1 3.803 0.020 . 1 . . . . 76 LEU HA . 16052 1 884 . 1 1 76 76 LEU HB2 H 1 1.754 0.020 . 2 . . . . 76 LEU HB2 . 16052 1 885 . 1 1 76 76 LEU HB3 H 1 1.215 0.020 . 2 . . . . 76 LEU HB3 . 16052 1 886 . 1 1 76 76 LEU HD11 H 1 0.919 0.020 . 2 . . . . 76 LEU HD1 . 16052 1 887 . 1 1 76 76 LEU HD12 H 1 0.919 0.020 . 2 . . . . 76 LEU HD1 . 16052 1 888 . 1 1 76 76 LEU HD13 H 1 0.919 0.020 . 2 . . . . 76 LEU HD1 . 16052 1 889 . 1 1 76 76 LEU HD21 H 1 0.370 0.020 . 2 . . . . 76 LEU HD2 . 16052 1 890 . 1 1 76 76 LEU HD22 H 1 0.370 0.020 . 2 . . . . 76 LEU HD2 . 16052 1 891 . 1 1 76 76 LEU HD23 H 1 0.370 0.020 . 2 . . . . 76 LEU HD2 . 16052 1 892 . 1 1 76 76 LEU HG H 1 1.464 0.020 . 1 . . . . 76 LEU HG . 16052 1 893 . 1 1 76 76 LEU C C 13 179.290 0.400 . 1 . . . . 76 LEU C . 16052 1 894 . 1 1 76 76 LEU CA C 13 58.410 0.400 . 1 . . . . 76 LEU CA . 16052 1 895 . 1 1 76 76 LEU CB C 13 40.060 0.400 . 1 . . . . 76 LEU CB . 16052 1 896 . 1 1 76 76 LEU CD1 C 13 22.700 0.400 . 1 . . . . 76 LEU CD1 . 16052 1 897 . 1 1 76 76 LEU CD2 C 13 22.700 0.400 . 1 . . . . 76 LEU CD2 . 16052 1 898 . 1 1 76 76 LEU CG C 13 26.710 0.400 . 1 . . . . 76 LEU CG . 16052 1 899 . 1 1 76 76 LEU N N 15 119.820 0.400 . 1 . . . . 76 LEU N . 16052 1 900 . 1 1 77 77 LEU H H 1 8.411 0.020 . 1 . . . . 77 LEU H . 16052 1 901 . 1 1 77 77 LEU HA H 1 4.127 0.020 . 1 . . . . 77 LEU HA . 16052 1 902 . 1 1 77 77 LEU HB2 H 1 1.760 0.020 . 2 . . . . 77 LEU HB2 . 16052 1 903 . 1 1 77 77 LEU HB3 H 1 1.760 0.020 . 2 . . . . 77 LEU HB3 . 16052 1 904 . 1 1 77 77 LEU HD11 H 1 0.902 0.020 . 2 . . . . 77 LEU HD1 . 16052 1 905 . 1 1 77 77 LEU HD12 H 1 0.902 0.020 . 2 . . . . 77 LEU HD1 . 16052 1 906 . 1 1 77 77 LEU HD13 H 1 0.902 0.020 . 2 . . . . 77 LEU HD1 . 16052 1 907 . 1 1 77 77 LEU HD21 H 1 0.902 0.020 . 2 . . . . 77 LEU HD2 . 16052 1 908 . 1 1 77 77 LEU HD22 H 1 0.902 0.020 . 2 . . . . 77 LEU HD2 . 16052 1 909 . 1 1 77 77 LEU HD23 H 1 0.902 0.020 . 2 . . . . 77 LEU HD2 . 16052 1 910 . 1 1 77 77 LEU HG H 1 1.455 0.020 . 1 . . . . 77 LEU HG . 16052 1 911 . 1 1 77 77 LEU C C 13 181.940 0.400 . 1 . . . . 77 LEU C . 16052 1 912 . 1 1 77 77 LEU CA C 13 58.750 0.400 . 1 . . . . 77 LEU CA . 16052 1 913 . 1 1 77 77 LEU CB C 13 42.020 0.400 . 1 . . . . 77 LEU CB . 16052 1 914 . 1 1 77 77 LEU CD1 C 13 24.380 0.400 . 1 . . . . 77 LEU CD1 . 16052 1 915 . 1 1 77 77 LEU CD2 C 13 24.380 0.400 . 1 . . . . 77 LEU CD2 . 16052 1 916 . 1 1 77 77 LEU CG C 13 27.190 0.400 . 1 . . . . 77 LEU CG . 16052 1 917 . 1 1 77 77 LEU N N 15 122.290 0.400 . 1 . . . . 77 LEU N . 16052 1 918 . 1 1 78 78 ARG H H 1 7.858 0.020 . 1 . . . . 78 ARG H . 16052 1 919 . 1 1 78 78 ARG HA H 1 4.057 0.020 . 1 . . . . 78 ARG HA . 16052 1 920 . 1 1 78 78 ARG HB2 H 1 1.979 0.020 . 2 . . . . 78 ARG HB2 . 16052 1 921 . 1 1 78 78 ARG HB3 H 1 1.979 0.020 . 2 . . . . 78 ARG HB3 . 16052 1 922 . 1 1 78 78 ARG HD2 H 1 3.170 0.020 . 2 . . . . 78 ARG HD2 . 16052 1 923 . 1 1 78 78 ARG HD3 H 1 3.170 0.020 . 2 . . . . 78 ARG HD3 . 16052 1 924 . 1 1 78 78 ARG HG2 H 1 1.765 0.020 . 2 . . . . 78 ARG HG2 . 16052 1 925 . 1 1 78 78 ARG HG3 H 1 1.765 0.020 . 2 . . . . 78 ARG HG3 . 16052 1 926 . 1 1 78 78 ARG C C 13 177.890 0.400 . 1 . . . . 78 ARG C . 16052 1 927 . 1 1 78 78 ARG CA C 13 59.680 0.400 . 1 . . . . 78 ARG CA . 16052 1 928 . 1 1 78 78 ARG CB C 13 30.190 0.400 . 1 . . . . 78 ARG CB . 16052 1 929 . 1 1 78 78 ARG CD C 13 43.490 0.400 . 1 . . . . 78 ARG CD . 16052 1 930 . 1 1 78 78 ARG CG C 13 27.710 0.400 . 1 . . . . 78 ARG CG . 16052 1 931 . 1 1 78 78 ARG N N 15 121.050 0.400 . 1 . . . . 78 ARG N . 16052 1 932 . 1 1 79 79 ARG H H 1 7.306 0.020 . 1 . . . . 79 ARG H . 16052 1 933 . 1 1 79 79 ARG HA H 1 4.296 0.020 . 1 . . . . 79 ARG HA . 16052 1 934 . 1 1 79 79 ARG HB2 H 1 2.150 0.020 . 2 . . . . 79 ARG HB2 . 16052 1 935 . 1 1 79 79 ARG HB3 H 1 1.731 0.020 . 2 . . . . 79 ARG HB3 . 16052 1 936 . 1 1 79 79 ARG HD2 H 1 3.085 0.020 . 2 . . . . 79 ARG HD2 . 16052 1 937 . 1 1 79 79 ARG HD3 H 1 3.085 0.020 . 2 . . . . 79 ARG HD3 . 16052 1 938 . 1 1 79 79 ARG HG2 H 1 1.425 0.020 . 2 . . . . 79 ARG HG2 . 16052 1 939 . 1 1 79 79 ARG HG3 H 1 1.425 0.020 . 2 . . . . 79 ARG HG3 . 16052 1 940 . 1 1 79 79 ARG C C 13 176.010 0.400 . 1 . . . . 79 ARG C . 16052 1 941 . 1 1 79 79 ARG CA C 13 56.210 0.400 . 1 . . . . 79 ARG CA . 16052 1 942 . 1 1 79 79 ARG CB C 13 31.890 0.400 . 1 . . . . 79 ARG CB . 16052 1 943 . 1 1 79 79 ARG CD C 13 43.735 0.400 . 1 . . . . 79 ARG CD . 16052 1 944 . 1 1 79 79 ARG CG C 13 27.500 0.400 . 1 . . . . 79 ARG CG . 16052 1 945 . 1 1 79 79 ARG N N 15 116.750 0.400 . 1 . . . . 79 ARG N . 16052 1 946 . 1 1 80 80 GLY H H 1 8.105 0.020 . 1 . . . . 80 GLY H . 16052 1 947 . 1 1 80 80 GLY HA2 H 1 4.143 0.020 . 2 . . . . 80 GLY HA2 . 16052 1 948 . 1 1 80 80 GLY HA3 H 1 3.811 0.020 . 2 . . . . 80 GLY HA3 . 16052 1 949 . 1 1 80 80 GLY C C 13 174.020 0.400 . 1 . . . . 80 GLY C . 16052 1 950 . 1 1 80 80 GLY CA C 13 46.250 0.400 . 1 . . . . 80 GLY CA . 16052 1 951 . 1 1 80 80 GLY N N 15 108.870 0.400 . 1 . . . . 80 GLY N . 16052 1 952 . 1 1 81 81 ILE H H 1 8.095 0.020 . 1 . . . . 81 ILE H . 16052 1 953 . 1 1 81 81 ILE HA H 1 4.129 0.020 . 1 . . . . 81 ILE HA . 16052 1 954 . 1 1 81 81 ILE HB H 1 1.459 0.020 . 1 . . . . 81 ILE HB . 16052 1 955 . 1 1 81 81 ILE HD11 H 1 0.745 0.020 . 1 . . . . 81 ILE HD1 . 16052 1 956 . 1 1 81 81 ILE HD12 H 1 0.745 0.020 . 1 . . . . 81 ILE HD1 . 16052 1 957 . 1 1 81 81 ILE HD13 H 1 0.745 0.020 . 1 . . . . 81 ILE HD1 . 16052 1 958 . 1 1 81 81 ILE HG12 H 1 1.505 0.020 . 2 . . . . 81 ILE HG12 . 16052 1 959 . 1 1 81 81 ILE HG13 H 1 1.742 0.020 . 2 . . . . 81 ILE HG13 . 16052 1 960 . 1 1 81 81 ILE HG21 H 1 0.895 0.020 . 1 . . . . 81 ILE HG2 . 16052 1 961 . 1 1 81 81 ILE HG22 H 1 0.895 0.020 . 1 . . . . 81 ILE HG2 . 16052 1 962 . 1 1 81 81 ILE HG23 H 1 0.895 0.020 . 1 . . . . 81 ILE HG2 . 16052 1 963 . 1 1 81 81 ILE C C 13 174.810 0.400 . 1 . . . . 81 ILE C . 16052 1 964 . 1 1 81 81 ILE CA C 13 61.200 0.400 . 1 . . . . 81 ILE CA . 16052 1 965 . 1 1 81 81 ILE CB C 13 40.410 0.400 . 1 . . . . 81 ILE CB . 16052 1 966 . 1 1 81 81 ILE CD1 C 13 15.460 0.400 . 1 . . . . 81 ILE CD1 . 16052 1 967 . 1 1 81 81 ILE CG1 C 13 27.540 0.400 . 1 . . . . 81 ILE CG1 . 16052 1 968 . 1 1 81 81 ILE CG2 C 13 18.560 0.400 . 1 . . . . 81 ILE CG2 . 16052 1 969 . 1 1 81 81 ILE N N 15 122.480 0.400 . 1 . . . . 81 ILE N . 16052 1 970 . 1 1 82 82 VAL H H 1 8.011 0.020 . 1 . . . . 82 VAL H . 16052 1 971 . 1 1 82 82 VAL HA H 1 3.560 0.020 . 1 . . . . 82 VAL HA . 16052 1 972 . 1 1 82 82 VAL HB H 1 1.522 0.020 . 1 . . . . 82 VAL HB . 16052 1 973 . 1 1 82 82 VAL HG11 H 1 0.966 0.020 . 2 . . . . 82 VAL HG1 . 16052 1 974 . 1 1 82 82 VAL HG12 H 1 0.966 0.020 . 2 . . . . 82 VAL HG1 . 16052 1 975 . 1 1 82 82 VAL HG13 H 1 0.966 0.020 . 2 . . . . 82 VAL HG1 . 16052 1 976 . 1 1 82 82 VAL HG21 H 1 -0.211 0.020 . 2 . . . . 82 VAL HG2 . 16052 1 977 . 1 1 82 82 VAL HG22 H 1 -0.211 0.020 . 2 . . . . 82 VAL HG2 . 16052 1 978 . 1 1 82 82 VAL HG23 H 1 -0.211 0.020 . 2 . . . . 82 VAL HG2 . 16052 1 979 . 1 1 82 82 VAL C C 13 173.600 0.400 . 1 . . . . 82 VAL C . 16052 1 980 . 1 1 82 82 VAL CA C 13 63.620 0.400 . 1 . . . . 82 VAL CA . 16052 1 981 . 1 1 82 82 VAL CB C 13 33.300 0.400 . 1 . . . . 82 VAL CB . 16052 1 982 . 1 1 82 82 VAL CG1 C 13 22.110 0.400 . 1 . . . . 82 VAL CG1 . 16052 1 983 . 1 1 82 82 VAL CG2 C 13 19.730 0.400 . 1 . . . . 82 VAL CG2 . 16052 1 984 . 1 1 82 82 VAL N N 15 127.970 0.400 . 1 . . . . 82 VAL N . 16052 1 985 . 1 1 83 83 PHE H H 1 7.736 0.020 . 1 . . . . 83 PHE H . 16052 1 986 . 1 1 83 83 PHE HA H 1 5.242 0.020 . 1 . . . . 83 PHE HA . 16052 1 987 . 1 1 83 83 PHE HB2 H 1 2.921 0.020 . 2 . . . . 83 PHE HB2 . 16052 1 988 . 1 1 83 83 PHE HB3 H 1 2.921 0.020 . 2 . . . . 83 PHE HB3 . 16052 1 989 . 1 1 83 83 PHE HD1 H 1 7.059 0.020 . 1 . . . . 83 PHE HD1 . 16052 1 990 . 1 1 83 83 PHE HD2 H 1 7.059 0.020 . 1 . . . . 83 PHE HD2 . 16052 1 991 . 1 1 83 83 PHE HE1 H 1 7.106 0.020 . 1 . . . . 83 PHE HE1 . 16052 1 992 . 1 1 83 83 PHE HE2 H 1 7.106 0.020 . 1 . . . . 83 PHE HE2 . 16052 1 993 . 1 1 83 83 PHE C C 13 172.080 0.400 . 1 . . . . 83 PHE C . 16052 1 994 . 1 1 83 83 PHE CA C 13 56.760 0.400 . 1 . . . . 83 PHE CA . 16052 1 995 . 1 1 83 83 PHE CB C 13 41.830 0.400 . 1 . . . . 83 PHE CB . 16052 1 996 . 1 1 83 83 PHE N N 15 127.370 0.400 . 1 . . . . 83 PHE N . 16052 1 997 . 1 1 84 84 ALA H H 1 8.778 0.020 . 1 . . . . 84 ALA H . 16052 1 998 . 1 1 84 84 ALA HA H 1 4.824 0.020 . 1 . . . . 84 ALA HA . 16052 1 999 . 1 1 84 84 ALA HB1 H 1 1.250 0.020 . 1 . . . . 84 ALA HB . 16052 1 1000 . 1 1 84 84 ALA HB2 H 1 1.250 0.020 . 1 . . . . 84 ALA HB . 16052 1 1001 . 1 1 84 84 ALA HB3 H 1 1.250 0.020 . 1 . . . . 84 ALA HB . 16052 1 1002 . 1 1 84 84 ALA C C 13 174.780 0.400 . 1 . . . . 84 ALA C . 16052 1 1003 . 1 1 84 84 ALA CA C 13 49.810 0.400 . 1 . . . . 84 ALA CA . 16052 1 1004 . 1 1 84 84 ALA CB C 13 23.420 0.400 . 1 . . . . 84 ALA CB . 16052 1 1005 . 1 1 84 84 ALA N N 15 129.780 0.400 . 1 . . . . 84 ALA N . 16052 1 1006 . 1 1 85 85 MET H H 1 8.542 0.020 . 1 . . . . 85 MET H . 16052 1 1007 . 1 1 85 85 MET HA H 1 5.267 0.020 . 1 . . . . 85 MET HA . 16052 1 1008 . 1 1 85 85 MET HB2 H 1 1.986 0.020 . 2 . . . . 85 MET HB2 . 16052 1 1009 . 1 1 85 85 MET HB3 H 1 1.648 0.020 . 2 . . . . 85 MET HB3 . 16052 1 1010 . 1 1 85 85 MET HE1 H 1 2.041 0.020 . 1 . . . . 85 MET HE . 16052 1 1011 . 1 1 85 85 MET HE2 H 1 2.041 0.020 . 1 . . . . 85 MET HE . 16052 1 1012 . 1 1 85 85 MET HE3 H 1 2.041 0.020 . 1 . . . . 85 MET HE . 16052 1 1013 . 1 1 85 85 MET HG2 H 1 2.342 0.020 . 2 . . . . 85 MET HG2 . 16052 1 1014 . 1 1 85 85 MET HG3 H 1 2.342 0.020 . 2 . . . . 85 MET HG3 . 16052 1 1015 . 1 1 85 85 MET C C 13 173.550 0.400 . 1 . . . . 85 MET C . 16052 1 1016 . 1 1 85 85 MET CA C 13 54.530 0.400 . 1 . . . . 85 MET CA . 16052 1 1017 . 1 1 85 85 MET CB C 13 39.520 0.400 . 1 . . . . 85 MET CB . 16052 1 1018 . 1 1 85 85 MET CE C 13 17.250 0.400 . 1 . . . . 85 MET CE . 16052 1 1019 . 1 1 85 85 MET CG C 13 33.140 0.400 . 1 . . . . 85 MET CG . 16052 1 1020 . 1 1 85 85 MET N N 15 114.040 0.400 . 1 . . . . 85 MET N . 16052 1 1021 . 1 1 86 86 ALA H H 1 9.024 0.020 . 1 . . . . 86 ALA H . 16052 1 1022 . 1 1 86 86 ALA HA H 1 5.641 0.020 . 1 . . . . 86 ALA HA . 16052 1 1023 . 1 1 86 86 ALA HB1 H 1 0.992 0.020 . 1 . . . . 86 ALA HB . 16052 1 1024 . 1 1 86 86 ALA HB2 H 1 0.992 0.020 . 1 . . . . 86 ALA HB . 16052 1 1025 . 1 1 86 86 ALA HB3 H 1 0.992 0.020 . 1 . . . . 86 ALA HB . 16052 1 1026 . 1 1 86 86 ALA C C 13 175.780 0.400 . 1 . . . . 86 ALA C . 16052 1 1027 . 1 1 86 86 ALA CA C 13 49.640 0.400 . 1 . . . . 86 ALA CA . 16052 1 1028 . 1 1 86 86 ALA CB C 13 23.930 0.400 . 1 . . . . 86 ALA CB . 16052 1 1029 . 1 1 86 86 ALA N N 15 121.860 0.400 . 1 . . . . 86 ALA N . 16052 1 1030 . 1 1 87 87 ARG H H 1 7.266 0.020 . 1 . . . . 87 ARG H . 16052 1 1031 . 1 1 87 87 ARG HA H 1 3.764 0.020 . 1 . . . . 87 ARG HA . 16052 1 1032 . 1 1 87 87 ARG HB2 H 1 2.260 0.020 . 2 . . . . 87 ARG HB2 . 16052 1 1033 . 1 1 87 87 ARG HB3 H 1 1.930 0.020 . 2 . . . . 87 ARG HB3 . 16052 1 1034 . 1 1 87 87 ARG HD2 H 1 3.080 0.020 . 2 . . . . 87 ARG HD2 . 16052 1 1035 . 1 1 87 87 ARG HD3 H 1 3.080 0.020 . 2 . . . . 87 ARG HD3 . 16052 1 1036 . 1 1 87 87 ARG HG2 H 1 1.665 0.020 . 2 . . . . 87 ARG HG2 . 16052 1 1037 . 1 1 87 87 ARG HG3 H 1 1.665 0.020 . 2 . . . . 87 ARG HG3 . 16052 1 1038 . 1 1 87 87 ARG C C 13 173.910 0.400 . 1 . . . . 87 ARG C . 16052 1 1039 . 1 1 87 87 ARG CA C 13 57.920 0.400 . 1 . . . . 87 ARG CA . 16052 1 1040 . 1 1 87 87 ARG CB C 13 26.000 0.400 . 1 . . . . 87 ARG CB . 16052 1 1041 . 1 1 87 87 ARG CD C 13 42.380 0.400 . 1 . . . . 87 ARG CD . 16052 1 1042 . 1 1 87 87 ARG CG C 13 27.630 0.400 . 1 . . . . 87 ARG CG . 16052 1 1043 . 1 1 87 87 ARG N N 15 112.560 0.400 . 1 . . . . 87 ARG N . 16052 1 1044 . 1 1 88 88 VAL H H 1 7.171 0.020 . 1 . . . . 88 VAL H . 16052 1 1045 . 1 1 88 88 VAL HA H 1 3.774 0.020 . 1 . . . . 88 VAL HA . 16052 1 1046 . 1 1 88 88 VAL HB H 1 1.753 0.020 . 1 . . . . 88 VAL HB . 16052 1 1047 . 1 1 88 88 VAL HG11 H 1 0.766 0.020 . 2 . . . . 88 VAL HG1 . 16052 1 1048 . 1 1 88 88 VAL HG12 H 1 0.766 0.020 . 2 . . . . 88 VAL HG1 . 16052 1 1049 . 1 1 88 88 VAL HG13 H 1 0.766 0.020 . 2 . . . . 88 VAL HG1 . 16052 1 1050 . 1 1 88 88 VAL HG21 H 1 0.766 0.020 . 2 . . . . 88 VAL HG2 . 16052 1 1051 . 1 1 88 88 VAL HG22 H 1 0.766 0.020 . 2 . . . . 88 VAL HG2 . 16052 1 1052 . 1 1 88 88 VAL HG23 H 1 0.766 0.020 . 2 . . . . 88 VAL HG2 . 16052 1 1053 . 1 1 88 88 VAL C C 13 176.150 0.400 . 1 . . . . 88 VAL C . 16052 1 1054 . 1 1 88 88 VAL CA C 13 62.270 0.400 . 1 . . . . 88 VAL CA . 16052 1 1055 . 1 1 88 88 VAL CB C 13 31.980 0.400 . 1 . . . . 88 VAL CB . 16052 1 1056 . 1 1 88 88 VAL CG1 C 13 21.140 0.400 . 1 . . . . 88 VAL CG1 . 16052 1 1057 . 1 1 88 88 VAL CG2 C 13 21.140 0.400 . 1 . . . . 88 VAL CG2 . 16052 1 1058 . 1 1 88 88 VAL N N 15 117.400 0.400 . 1 . . . . 88 VAL N . 16052 1 1059 . 1 1 89 89 LYS H H 1 9.235 0.020 . 1 . . . . 89 LYS H . 16052 1 1060 . 1 1 89 89 LYS HA H 1 3.821 0.020 . 1 . . . . 89 LYS HA . 16052 1 1061 . 1 1 89 89 LYS HB2 H 1 1.936 0.020 . 2 . . . . 89 LYS HB2 . 16052 1 1062 . 1 1 89 89 LYS HB3 H 1 1.936 0.020 . 2 . . . . 89 LYS HB3 . 16052 1 1063 . 1 1 89 89 LYS HD2 H 1 1.690 0.020 . 2 . . . . 89 LYS HD2 . 16052 1 1064 . 1 1 89 89 LYS HD3 H 1 1.690 0.020 . 2 . . . . 89 LYS HD3 . 16052 1 1065 . 1 1 89 89 LYS HE2 H 1 3.080 0.020 . 2 . . . . 89 LYS HE2 . 16052 1 1066 . 1 1 89 89 LYS HE3 H 1 3.080 0.020 . 2 . . . . 89 LYS HE3 . 16052 1 1067 . 1 1 89 89 LYS HG2 H 1 1.485 0.020 . 2 . . . . 89 LYS HG2 . 16052 1 1068 . 1 1 89 89 LYS HG3 H 1 1.485 0.020 . 2 . . . . 89 LYS HG3 . 16052 1 1069 . 1 1 89 89 LYS CA C 13 56.440 0.400 . 1 . . . . 89 LYS CA . 16052 1 1070 . 1 1 89 89 LYS CB C 13 33.430 0.400 . 1 . . . . 89 LYS CB . 16052 1 1071 . 1 1 89 89 LYS CD C 13 29.740 0.400 . 1 . . . . 89 LYS CD . 16052 1 1072 . 1 1 89 89 LYS CE C 13 42.110 0.400 . 1 . . . . 89 LYS CE . 16052 1 1073 . 1 1 89 89 LYS CG C 13 24.700 0.400 . 1 . . . . 89 LYS CG . 16052 1 1074 . 1 1 89 89 LYS N N 15 130.660 0.400 . 1 . . . . 89 LYS N . 16052 1 1075 . 1 1 90 90 GLN HA H 1 3.930 0.020 . 1 . . . . 90 GLN HA . 16052 1 1076 . 1 1 90 90 GLN HB2 H 1 2.169 0.020 . 2 . . . . 90 GLN HB2 . 16052 1 1077 . 1 1 90 90 GLN HB3 H 1 2.169 0.020 . 2 . . . . 90 GLN HB3 . 16052 1 1078 . 1 1 90 90 GLN HE21 H 1 6.853 0.020 . 2 . . . . 90 GLN HE21 . 16052 1 1079 . 1 1 90 90 GLN HE22 H 1 7.690 0.020 . 2 . . . . 90 GLN HE22 . 16052 1 1080 . 1 1 90 90 GLN HG2 H 1 2.435 0.020 . 2 . . . . 90 GLN HG2 . 16052 1 1081 . 1 1 90 90 GLN HG3 H 1 2.435 0.020 . 2 . . . . 90 GLN HG3 . 16052 1 1082 . 1 1 90 90 GLN C C 13 177.600 0.400 . 1 . . . . 90 GLN C . 16052 1 1083 . 1 1 90 90 GLN CA C 13 60.040 0.400 . 1 . . . . 90 GLN CA . 16052 1 1084 . 1 1 90 90 GLN CB C 13 28.370 0.400 . 1 . . . . 90 GLN CB . 16052 1 1085 . 1 1 90 90 GLN CG C 13 33.170 0.400 . 1 . . . . 90 GLN CG . 16052 1 1086 . 1 1 90 90 GLN NE2 N 15 112.375 0.400 . 1 . . . . 90 GLN NE2 . 16052 1 1087 . 1 1 91 91 ASP H H 1 8.677 0.020 . 1 . . . . 91 ASP H . 16052 1 1088 . 1 1 91 91 ASP HA H 1 4.349 0.020 . 1 . . . . 91 ASP HA . 16052 1 1089 . 1 1 91 91 ASP HB2 H 1 2.718 0.020 . 2 . . . . 91 ASP HB2 . 16052 1 1090 . 1 1 91 91 ASP HB3 H 1 2.538 0.020 . 2 . . . . 91 ASP HB3 . 16052 1 1091 . 1 1 91 91 ASP C C 13 178.810 0.400 . 1 . . . . 91 ASP C . 16052 1 1092 . 1 1 91 91 ASP CA C 13 57.640 0.400 . 1 . . . . 91 ASP CA . 16052 1 1093 . 1 1 91 91 ASP CB C 13 40.400 0.400 . 1 . . . . 91 ASP CB . 16052 1 1094 . 1 1 91 91 ASP N N 15 116.100 0.400 . 1 . . . . 91 ASP N . 16052 1 1095 . 1 1 92 92 LEU H H 1 7.400 0.020 . 1 . . . . 92 LEU H . 16052 1 1096 . 1 1 92 92 LEU HA H 1 4.230 0.020 . 1 . . . . 92 LEU HA . 16052 1 1097 . 1 1 92 92 LEU HB2 H 1 1.948 0.020 . 2 . . . . 92 LEU HB2 . 16052 1 1098 . 1 1 92 92 LEU HB3 H 1 1.948 0.020 . 2 . . . . 92 LEU HB3 . 16052 1 1099 . 1 1 92 92 LEU HD11 H 1 0.798 0.020 . 2 . . . . 92 LEU HD1 . 16052 1 1100 . 1 1 92 92 LEU HD12 H 1 0.798 0.020 . 2 . . . . 92 LEU HD1 . 16052 1 1101 . 1 1 92 92 LEU HD13 H 1 0.798 0.020 . 2 . . . . 92 LEU HD1 . 16052 1 1102 . 1 1 92 92 LEU HD21 H 1 0.798 0.020 . 2 . . . . 92 LEU HD2 . 16052 1 1103 . 1 1 92 92 LEU HD22 H 1 0.798 0.020 . 2 . . . . 92 LEU HD2 . 16052 1 1104 . 1 1 92 92 LEU HD23 H 1 0.798 0.020 . 2 . . . . 92 LEU HD2 . 16052 1 1105 . 1 1 92 92 LEU HG H 1 1.610 0.020 . 1 . . . . 92 LEU HG . 16052 1 1106 . 1 1 92 92 LEU C C 13 178.190 0.400 . 1 . . . . 92 LEU C . 16052 1 1107 . 1 1 92 92 LEU CA C 13 57.680 0.400 . 1 . . . . 92 LEU CA . 16052 1 1108 . 1 1 92 92 LEU CB C 13 40.430 0.400 . 1 . . . . 92 LEU CB . 16052 1 1109 . 1 1 92 92 LEU CD1 C 13 23.440 0.400 . 1 . . . . 92 LEU CD1 . 16052 1 1110 . 1 1 92 92 LEU CD2 C 13 23.440 0.400 . 1 . . . . 92 LEU CD2 . 16052 1 1111 . 1 1 92 92 LEU CG C 13 27.320 0.400 . 1 . . . . 92 LEU CG . 16052 1 1112 . 1 1 92 92 LEU N N 15 121.740 0.400 . 1 . . . . 92 LEU N . 16052 1 1113 . 1 1 93 93 ARG H H 1 8.297 0.020 . 1 . . . . 93 ARG H . 16052 1 1114 . 1 1 93 93 ARG HA H 1 3.560 0.020 . 1 . . . . 93 ARG HA . 16052 1 1115 . 1 1 93 93 ARG HB2 H 1 1.954 0.020 . 2 . . . . 93 ARG HB2 . 16052 1 1116 . 1 1 93 93 ARG HB3 H 1 1.954 0.020 . 2 . . . . 93 ARG HB3 . 16052 1 1117 . 1 1 93 93 ARG HD2 H 1 3.260 0.020 . 2 . . . . 93 ARG HD2 . 16052 1 1118 . 1 1 93 93 ARG HD3 H 1 3.260 0.020 . 2 . . . . 93 ARG HD3 . 16052 1 1119 . 1 1 93 93 ARG HG2 H 1 1.735 0.020 . 2 . . . . 93 ARG HG2 . 16052 1 1120 . 1 1 93 93 ARG HG3 H 1 1.735 0.020 . 2 . . . . 93 ARG HG3 . 16052 1 1121 . 1 1 93 93 ARG C C 13 178.180 0.400 . 1 . . . . 93 ARG C . 16052 1 1122 . 1 1 93 93 ARG CA C 13 61.290 0.400 . 1 . . . . 93 ARG CA . 16052 1 1123 . 1 1 93 93 ARG CB C 13 30.210 0.400 . 1 . . . . 93 ARG CB . 16052 1 1124 . 1 1 93 93 ARG CD C 13 43.040 0.400 . 1 . . . . 93 ARG CD . 16052 1 1125 . 1 1 93 93 ARG CG C 13 27.630 0.400 . 1 . . . . 93 ARG CG . 16052 1 1126 . 1 1 93 93 ARG N N 15 121.070 0.400 . 1 . . . . 93 ARG N . 16052 1 1127 . 1 1 94 94 GLU H H 1 8.252 0.020 . 1 . . . . 94 GLU H . 16052 1 1128 . 1 1 94 94 GLU HA H 1 4.208 0.020 . 1 . . . . 94 GLU HA . 16052 1 1129 . 1 1 94 94 GLU HB2 H 1 1.982 0.020 . 2 . . . . 94 GLU HB2 . 16052 1 1130 . 1 1 94 94 GLU HB3 H 1 2.106 0.020 . 2 . . . . 94 GLU HB3 . 16052 1 1131 . 1 1 94 94 GLU HG2 H 1 2.434 0.020 . 2 . . . . 94 GLU HG2 . 16052 1 1132 . 1 1 94 94 GLU HG3 H 1 2.434 0.020 . 2 . . . . 94 GLU HG3 . 16052 1 1133 . 1 1 94 94 GLU C C 13 178.130 0.400 . 1 . . . . 94 GLU C . 16052 1 1134 . 1 1 94 94 GLU CA C 13 59.070 0.400 . 1 . . . . 94 GLU CA . 16052 1 1135 . 1 1 94 94 GLU CB C 13 28.880 0.400 . 1 . . . . 94 GLU CB . 16052 1 1136 . 1 1 94 94 GLU CG C 13 36.370 0.400 . 1 . . . . 94 GLU CG . 16052 1 1137 . 1 1 94 94 GLU N N 15 116.400 0.400 . 1 . . . . 94 GLU N . 16052 1 1138 . 1 1 95 95 SER HA H 1 3.955 0.020 . 1 . . . . 95 SER HA . 16052 1 1139 . 1 1 95 95 SER HB2 H 1 4.364 0.020 . 2 . . . . 95 SER HB2 . 16052 1 1140 . 1 1 95 95 SER HB3 H 1 4.364 0.020 . 2 . . . . 95 SER HB3 . 16052 1 1141 . 1 1 95 95 SER C C 13 177.150 0.400 . 1 . . . . 95 SER C . 16052 1 1142 . 1 1 95 95 SER CA C 13 58.770 0.400 . 1 . . . . 95 SER CA . 16052 1 1143 . 1 1 95 95 SER CB C 13 61.790 0.400 . 1 . . . . 95 SER CB . 16052 1 1144 . 1 1 96 96 LEU H H 1 8.595 0.020 . 1 . . . . 96 LEU H . 16052 1 1145 . 1 1 96 96 LEU HA H 1 3.884 0.020 . 1 . . . . 96 LEU HA . 16052 1 1146 . 1 1 96 96 LEU HB2 H 1 2.190 0.020 . 2 . . . . 96 LEU HB2 . 16052 1 1147 . 1 1 96 96 LEU HB3 H 1 2.190 0.020 . 2 . . . . 96 LEU HB3 . 16052 1 1148 . 1 1 96 96 LEU HD11 H 1 0.880 0.020 . 2 . . . . 96 LEU HD1 . 16052 1 1149 . 1 1 96 96 LEU HD12 H 1 0.880 0.020 . 2 . . . . 96 LEU HD1 . 16052 1 1150 . 1 1 96 96 LEU HD13 H 1 0.880 0.020 . 2 . . . . 96 LEU HD1 . 16052 1 1151 . 1 1 96 96 LEU HD21 H 1 0.668 0.020 . 2 . . . . 96 LEU HD2 . 16052 1 1152 . 1 1 96 96 LEU HD22 H 1 0.668 0.020 . 2 . . . . 96 LEU HD2 . 16052 1 1153 . 1 1 96 96 LEU HD23 H 1 0.668 0.020 . 2 . . . . 96 LEU HD2 . 16052 1 1154 . 1 1 96 96 LEU HG H 1 1.879 0.020 . 1 . . . . 96 LEU HG . 16052 1 1155 . 1 1 96 96 LEU C C 13 179.470 0.400 . 1 . . . . 96 LEU C . 16052 1 1156 . 1 1 96 96 LEU CA C 13 58.310 0.400 . 1 . . . . 96 LEU CA . 16052 1 1157 . 1 1 96 96 LEU CB C 13 42.200 0.400 . 1 . . . . 96 LEU CB . 16052 1 1158 . 1 1 96 96 LEU CD1 C 13 24.530 0.400 . 1 . . . . 96 LEU CD1 . 16052 1 1159 . 1 1 96 96 LEU CD2 C 13 24.600 0.400 . 1 . . . . 96 LEU CD2 . 16052 1 1160 . 1 1 96 96 LEU CG C 13 26.640 0.400 . 1 . . . . 96 LEU CG . 16052 1 1161 . 1 1 96 96 LEU N N 15 120.380 0.400 . 1 . . . . 96 LEU N . 16052 1 1162 . 1 1 97 97 ARG H H 1 8.462 0.020 . 1 . . . . 97 ARG H . 16052 1 1163 . 1 1 97 97 ARG HA H 1 4.015 0.020 . 1 . . . . 97 ARG HA . 16052 1 1164 . 1 1 97 97 ARG HB2 H 1 1.884 0.020 . 2 . . . . 97 ARG HB2 . 16052 1 1165 . 1 1 97 97 ARG HB3 H 1 1.884 0.020 . 2 . . . . 97 ARG HB3 . 16052 1 1166 . 1 1 97 97 ARG HD2 H 1 3.204 0.020 . 2 . . . . 97 ARG HD2 . 16052 1 1167 . 1 1 97 97 ARG HD3 H 1 3.204 0.020 . 2 . . . . 97 ARG HD3 . 16052 1 1168 . 1 1 97 97 ARG HG2 H 1 1.752 0.020 . 2 . . . . 97 ARG HG2 . 16052 1 1169 . 1 1 97 97 ARG HG3 H 1 1.752 0.020 . 2 . . . . 97 ARG HG3 . 16052 1 1170 . 1 1 97 97 ARG C C 13 180.230 0.400 . 1 . . . . 97 ARG C . 16052 1 1171 . 1 1 97 97 ARG CA C 13 59.720 0.400 . 1 . . . . 97 ARG CA . 16052 1 1172 . 1 1 97 97 ARG CB C 13 30.200 0.400 . 1 . . . . 97 ARG CB . 16052 1 1173 . 1 1 97 97 ARG CD C 13 43.470 0.400 . 1 . . . . 97 ARG CD . 16052 1 1174 . 1 1 97 97 ARG CG C 13 27.650 0.400 . 1 . . . . 97 ARG CG . 16052 1 1175 . 1 1 97 97 ARG N N 15 122.340 0.400 . 1 . . . . 97 ARG N . 16052 1 1176 . 1 1 98 98 ALA H H 1 8.404 0.020 . 1 . . . . 98 ALA H . 16052 1 1177 . 1 1 98 98 ALA HA H 1 4.119 0.020 . 1 . . . . 98 ALA HA . 16052 1 1178 . 1 1 98 98 ALA HB1 H 1 1.535 0.020 . 1 . . . . 98 ALA HB . 16052 1 1179 . 1 1 98 98 ALA HB2 H 1 1.535 0.020 . 1 . . . . 98 ALA HB . 16052 1 1180 . 1 1 98 98 ALA HB3 H 1 1.535 0.020 . 1 . . . . 98 ALA HB . 16052 1 1181 . 1 1 98 98 ALA C C 13 178.530 0.400 . 1 . . . . 98 ALA C . 16052 1 1182 . 1 1 98 98 ALA CA C 13 55.150 0.400 . 1 . . . . 98 ALA CA . 16052 1 1183 . 1 1 98 98 ALA CB C 13 18.290 0.400 . 1 . . . . 98 ALA CB . 16052 1 1184 . 1 1 98 98 ALA N N 15 123.650 0.400 . 1 . . . . 98 ALA N . 16052 1 1185 . 1 1 99 99 ALA H H 1 7.482 0.020 . 1 . . . . 99 ALA H . 16052 1 1186 . 1 1 99 99 ALA HA H 1 4.463 0.020 . 1 . . . . 99 ALA HA . 16052 1 1187 . 1 1 99 99 ALA HB1 H 1 1.471 0.020 . 1 . . . . 99 ALA HB . 16052 1 1188 . 1 1 99 99 ALA HB2 H 1 1.471 0.020 . 1 . . . . 99 ALA HB . 16052 1 1189 . 1 1 99 99 ALA HB3 H 1 1.471 0.020 . 1 . . . . 99 ALA HB . 16052 1 1190 . 1 1 99 99 ALA C C 13 176.590 0.400 . 1 . . . . 99 ALA C . 16052 1 1191 . 1 1 99 99 ALA CA C 13 52.250 0.400 . 1 . . . . 99 ALA CA . 16052 1 1192 . 1 1 99 99 ALA CB C 13 20.100 0.400 . 1 . . . . 99 ALA CB . 16052 1 1193 . 1 1 99 99 ALA N N 15 117.720 0.400 . 1 . . . . 99 ALA N . 16052 1 1194 . 1 1 100 100 SER H H 1 7.942 0.020 . 1 . . . . 100 SER H . 16052 1 1195 . 1 1 100 100 SER HA H 1 4.315 0.020 . 1 . . . . 100 SER HA . 16052 1 1196 . 1 1 100 100 SER HB2 H 1 4.153 0.020 . 2 . . . . 100 SER HB2 . 16052 1 1197 . 1 1 100 100 SER HB3 H 1 4.153 0.020 . 2 . . . . 100 SER HB3 . 16052 1 1198 . 1 1 100 100 SER C C 13 178.140 0.400 . 1 . . . . 100 SER C . 16052 1 1199 . 1 1 100 100 SER CA C 13 60.580 0.400 . 1 . . . . 100 SER CA . 16052 1 1200 . 1 1 100 100 SER CB C 13 61.740 0.400 . 1 . . . . 100 SER CB . 16052 1 1201 . 1 1 100 100 SER N N 15 110.480 0.400 . 1 . . . . 100 SER N . 16052 1 1202 . 1 1 101 101 LEU H H 1 7.946 0.020 . 1 . . . . 101 LEU H . 16052 1 1203 . 1 1 101 101 LEU HA H 1 4.345 0.020 . 1 . . . . 101 LEU HA . 16052 1 1204 . 1 1 101 101 LEU HB2 H 1 1.589 0.020 . 2 . . . . 101 LEU HB2 . 16052 1 1205 . 1 1 101 101 LEU HB3 H 1 1.589 0.020 . 2 . . . . 101 LEU HB3 . 16052 1 1206 . 1 1 101 101 LEU HD11 H 1 0.878 0.020 . 2 . . . . 101 LEU HD1 . 16052 1 1207 . 1 1 101 101 LEU HD12 H 1 0.878 0.020 . 2 . . . . 101 LEU HD1 . 16052 1 1208 . 1 1 101 101 LEU HD13 H 1 0.878 0.020 . 2 . . . . 101 LEU HD1 . 16052 1 1209 . 1 1 101 101 LEU HD21 H 1 0.878 0.020 . 2 . . . . 101 LEU HD2 . 16052 1 1210 . 1 1 101 101 LEU HD22 H 1 0.878 0.020 . 2 . . . . 101 LEU HD2 . 16052 1 1211 . 1 1 101 101 LEU HD23 H 1 0.878 0.020 . 2 . . . . 101 LEU HD2 . 16052 1 1212 . 1 1 101 101 LEU HG H 1 1.476 0.020 . 1 . . . . 101 LEU HG . 16052 1 1213 . 1 1 101 101 LEU C C 13 178.380 0.400 . 1 . . . . 101 LEU C . 16052 1 1214 . 1 1 101 101 LEU CA C 13 55.470 0.400 . 1 . . . . 101 LEU CA . 16052 1 1215 . 1 1 101 101 LEU CB C 13 39.480 0.400 . 1 . . . . 101 LEU CB . 16052 1 1216 . 1 1 101 101 LEU CD1 C 13 23.520 0.400 . 1 . . . . 101 LEU CD1 . 16052 1 1217 . 1 1 101 101 LEU CD2 C 13 23.520 0.400 . 1 . . . . 101 LEU CD2 . 16052 1 1218 . 1 1 101 101 LEU CG C 13 27.800 0.400 . 1 . . . . 101 LEU CG . 16052 1 1219 . 1 1 101 101 LEU N N 15 117.200 0.400 . 1 . . . . 101 LEU N . 16052 1 1220 . 1 1 102 102 LEU H H 1 7.244 0.020 . 1 . . . . 102 LEU H . 16052 1 1221 . 1 1 102 102 LEU HA H 1 3.710 0.020 . 1 . . . . 102 LEU HA . 16052 1 1222 . 1 1 102 102 LEU HB2 H 1 1.785 0.020 . 2 . . . . 102 LEU HB2 . 16052 1 1223 . 1 1 102 102 LEU HB3 H 1 1.785 0.020 . 2 . . . . 102 LEU HB3 . 16052 1 1224 . 1 1 102 102 LEU HD11 H 1 0.820 0.020 . 2 . . . . 102 LEU HD1 . 16052 1 1225 . 1 1 102 102 LEU HD12 H 1 0.820 0.020 . 2 . . . . 102 LEU HD1 . 16052 1 1226 . 1 1 102 102 LEU HD13 H 1 0.820 0.020 . 2 . . . . 102 LEU HD1 . 16052 1 1227 . 1 1 102 102 LEU HD21 H 1 0.820 0.020 . 2 . . . . 102 LEU HD2 . 16052 1 1228 . 1 1 102 102 LEU HD22 H 1 0.820 0.020 . 2 . . . . 102 LEU HD2 . 16052 1 1229 . 1 1 102 102 LEU HD23 H 1 0.820 0.020 . 2 . . . . 102 LEU HD2 . 16052 1 1230 . 1 1 102 102 LEU HG H 1 1.127 0.020 . 1 . . . . 102 LEU HG . 16052 1 1231 . 1 1 102 102 LEU C C 13 177.790 0.400 . 1 . . . . 102 LEU C . 16052 1 1232 . 1 1 102 102 LEU CA C 13 59.190 0.400 . 1 . . . . 102 LEU CA . 16052 1 1233 . 1 1 102 102 LEU CB C 13 41.870 0.400 . 1 . . . . 102 LEU CB . 16052 1 1234 . 1 1 102 102 LEU CD1 C 13 24.960 0.400 . 1 . . . . 102 LEU CD1 . 16052 1 1235 . 1 1 102 102 LEU CD2 C 13 24.960 0.400 . 1 . . . . 102 LEU CD2 . 16052 1 1236 . 1 1 102 102 LEU CG C 13 27.210 0.400 . 1 . . . . 102 LEU CG . 16052 1 1237 . 1 1 102 102 LEU N N 15 121.810 0.400 . 1 . . . . 102 LEU N . 16052 1 1238 . 1 1 103 103 ASP H H 1 8.194 0.020 . 1 . . . . 103 ASP H . 16052 1 1239 . 1 1 103 103 ASP HA H 1 4.360 0.020 . 1 . . . . 103 ASP HA . 16052 1 1240 . 1 1 103 103 ASP HB2 H 1 2.581 0.020 . 2 . . . . 103 ASP HB2 . 16052 1 1241 . 1 1 103 103 ASP HB3 H 1 2.581 0.020 . 2 . . . . 103 ASP HB3 . 16052 1 1242 . 1 1 103 103 ASP C C 13 177.390 0.400 . 1 . . . . 103 ASP C . 16052 1 1243 . 1 1 103 103 ASP CA C 13 56.540 0.400 . 1 . . . . 103 ASP CA . 16052 1 1244 . 1 1 103 103 ASP CB C 13 40.700 0.400 . 1 . . . . 103 ASP CB . 16052 1 1245 . 1 1 103 103 ASP N N 15 115.500 0.400 . 1 . . . . 103 ASP N . 16052 1 1246 . 1 1 104 104 LYS H H 1 6.916 0.020 . 1 . . . . 104 LYS H . 16052 1 1247 . 1 1 104 104 LYS HA H 1 4.023 0.020 . 1 . . . . 104 LYS HA . 16052 1 1248 . 1 1 104 104 LYS HB2 H 1 1.784 0.020 . 2 . . . . 104 LYS HB2 . 16052 1 1249 . 1 1 104 104 LYS HB3 H 1 1.784 0.020 . 2 . . . . 104 LYS HB3 . 16052 1 1250 . 1 1 104 104 LYS HD2 H 1 1.331 0.020 . 2 . . . . 104 LYS HD2 . 16052 1 1251 . 1 1 104 104 LYS HD3 H 1 1.331 0.020 . 2 . . . . 104 LYS HD3 . 16052 1 1252 . 1 1 104 104 LYS HE2 H 1 2.593 0.020 . 2 . . . . 104 LYS HE2 . 16052 1 1253 . 1 1 104 104 LYS HE3 H 1 2.593 0.020 . 2 . . . . 104 LYS HE3 . 16052 1 1254 . 1 1 104 104 LYS HG2 H 1 1.622 0.020 . 2 . . . . 104 LYS HG2 . 16052 1 1255 . 1 1 104 104 LYS HG3 H 1 1.585 0.020 . 2 . . . . 104 LYS HG3 . 16052 1 1256 . 1 1 104 104 LYS C C 13 177.880 0.400 . 1 . . . . 104 LYS C . 16052 1 1257 . 1 1 104 104 LYS CA C 13 59.010 0.400 . 1 . . . . 104 LYS CA . 16052 1 1258 . 1 1 104 104 LYS CB C 13 33.370 0.400 . 1 . . . . 104 LYS CB . 16052 1 1259 . 1 1 104 104 LYS CD C 13 29.850 0.400 . 1 . . . . 104 LYS CD . 16052 1 1260 . 1 1 104 104 LYS CE C 13 41.400 0.400 . 1 . . . . 104 LYS CE . 16052 1 1261 . 1 1 104 104 LYS CG C 13 25.450 0.400 . 1 . . . . 104 LYS CG . 16052 1 1262 . 1 1 104 104 LYS N N 15 117.940 0.400 . 1 . . . . 104 LYS N . 16052 1 1263 . 1 1 105 105 ILE H H 1 7.792 0.020 . 1 . . . . 105 ILE H . 16052 1 1264 . 1 1 105 105 ILE HA H 1 3.755 0.020 . 1 . . . . 105 ILE HA . 16052 1 1265 . 1 1 105 105 ILE HB H 1 1.673 0.020 . 1 . . . . 105 ILE HB . 16052 1 1266 . 1 1 105 105 ILE HD11 H 1 0.892 0.020 . 1 . . . . 105 ILE HD1 . 16052 1 1267 . 1 1 105 105 ILE HD12 H 1 0.892 0.020 . 1 . . . . 105 ILE HD1 . 16052 1 1268 . 1 1 105 105 ILE HD13 H 1 0.892 0.020 . 1 . . . . 105 ILE HD1 . 16052 1 1269 . 1 1 105 105 ILE HG12 H 1 1.287 0.020 . 2 . . . . 105 ILE HG12 . 16052 1 1270 . 1 1 105 105 ILE HG13 H 1 1.610 0.020 . 2 . . . . 105 ILE HG13 . 16052 1 1271 . 1 1 105 105 ILE HG21 H 1 0.963 0.020 . 1 . . . . 105 ILE HG2 . 16052 1 1272 . 1 1 105 105 ILE HG22 H 1 0.963 0.020 . 1 . . . . 105 ILE HG2 . 16052 1 1273 . 1 1 105 105 ILE HG23 H 1 0.963 0.020 . 1 . . . . 105 ILE HG2 . 16052 1 1274 . 1 1 105 105 ILE C C 13 177.280 0.400 . 1 . . . . 105 ILE C . 16052 1 1275 . 1 1 105 105 ILE CA C 13 64.970 0.400 . 1 . . . . 105 ILE CA . 16052 1 1276 . 1 1 105 105 ILE CB C 13 40.190 0.400 . 1 . . . . 105 ILE CB . 16052 1 1277 . 1 1 105 105 ILE CD1 C 13 15.350 0.400 . 1 . . . . 105 ILE CD1 . 16052 1 1278 . 1 1 105 105 ILE CG1 C 13 27.470 0.400 . 1 . . . . 105 ILE CG1 . 16052 1 1279 . 1 1 105 105 ILE CG2 C 13 16.670 0.400 . 1 . . . . 105 ILE CG2 . 16052 1 1280 . 1 1 105 105 ILE N N 15 118.400 0.400 . 1 . . . . 105 ILE N . 16052 1 1281 . 1 1 106 106 GLY H H 1 8.137 0.020 . 1 . . . . 106 GLY H . 16052 1 1282 . 1 1 106 106 GLY HA2 H 1 4.379 0.020 . 2 . . . . 106 GLY HA2 . 16052 1 1283 . 1 1 106 106 GLY HA3 H 1 3.626 0.020 . 2 . . . . 106 GLY HA3 . 16052 1 1284 . 1 1 106 106 GLY C C 13 175.150 0.400 . 1 . . . . 106 GLY C . 16052 1 1285 . 1 1 106 106 GLY CA C 13 44.830 0.400 . 1 . . . . 106 GLY CA . 16052 1 1286 . 1 1 106 106 GLY N N 15 108.730 0.400 . 1 . . . . 106 GLY N . 16052 1 1287 . 1 1 107 107 GLU H H 1 9.100 0.020 . 1 . . . . 107 GLU H . 16052 1 1288 . 1 1 107 107 GLU HA H 1 3.697 0.020 . 1 . . . . 107 GLU HA . 16052 1 1289 . 1 1 107 107 GLU HB2 H 1 1.938 0.020 . 2 . . . . 107 GLU HB2 . 16052 1 1290 . 1 1 107 107 GLU HB3 H 1 1.938 0.020 . 2 . . . . 107 GLU HB3 . 16052 1 1291 . 1 1 107 107 GLU HG2 H 1 2.242 0.020 . 2 . . . . 107 GLU HG2 . 16052 1 1292 . 1 1 107 107 GLU HG3 H 1 2.242 0.020 . 2 . . . . 107 GLU HG3 . 16052 1 1293 . 1 1 107 107 GLU C C 13 177.330 0.400 . 1 . . . . 107 GLU C . 16052 1 1294 . 1 1 107 107 GLU CA C 13 60.330 0.400 . 1 . . . . 107 GLU CA . 16052 1 1295 . 1 1 107 107 GLU CB C 13 29.540 0.400 . 1 . . . . 107 GLU CB . 16052 1 1296 . 1 1 107 107 GLU CG C 13 37.470 0.400 . 1 . . . . 107 GLU CG . 16052 1 1297 . 1 1 107 107 GLU N N 15 126.640 0.400 . 1 . . . . 107 GLU N . 16052 1 1298 . 1 1 108 108 ASP H H 1 8.609 0.020 . 1 . . . . 108 ASP H . 16052 1 1299 . 1 1 108 108 ASP HA H 1 4.205 0.020 . 1 . . . . 108 ASP HA . 16052 1 1300 . 1 1 108 108 ASP HB2 H 1 2.528 0.020 . 2 . . . . 108 ASP HB2 . 16052 1 1301 . 1 1 108 108 ASP HB3 H 1 2.528 0.020 . 2 . . . . 108 ASP HB3 . 16052 1 1302 . 1 1 108 108 ASP C C 13 175.600 0.400 . 1 . . . . 108 ASP C . 16052 1 1303 . 1 1 108 108 ASP CA C 13 54.510 0.400 . 1 . . . . 108 ASP CA . 16052 1 1304 . 1 1 108 108 ASP CB C 13 38.940 0.400 . 1 . . . . 108 ASP CB . 16052 1 1305 . 1 1 108 108 ASP N N 15 114.710 0.400 . 1 . . . . 108 ASP N . 16052 1 1306 . 1 1 109 109 HIS H H 1 7.786 0.020 . 1 . . . . 109 HIS H . 16052 1 1307 . 1 1 109 109 HIS HA H 1 4.412 0.020 . 1 . . . . 109 HIS HA . 16052 1 1308 . 1 1 109 109 HIS HB2 H 1 3.564 0.020 . 2 . . . . 109 HIS HB2 . 16052 1 1309 . 1 1 109 109 HIS HB3 H 1 2.961 0.020 . 2 . . . . 109 HIS HB3 . 16052 1 1310 . 1 1 109 109 HIS HD2 H 1 6.930 0.020 . 1 . . . . 109 HIS HD2 . 16052 1 1311 . 1 1 109 109 HIS HE1 H 1 8.157 0.020 . 1 . . . . 109 HIS HE1 . 16052 1 1312 . 1 1 109 109 HIS C C 13 171.200 0.400 . 1 . . . . 109 HIS C . 16052 1 1313 . 1 1 109 109 HIS CA C 13 55.060 0.400 . 1 . . . . 109 HIS CA . 16052 1 1314 . 1 1 109 109 HIS CB C 13 28.980 0.400 . 1 . . . . 109 HIS CB . 16052 1 1315 . 1 1 109 109 HIS N N 15 116.810 0.400 . 1 . . . . 109 HIS N . 16052 1 1316 . 1 1 110 110 ILE H H 1 6.622 0.020 . 1 . . . . 110 ILE H . 16052 1 1317 . 1 1 110 110 ILE HA H 1 4.422 0.020 . 1 . . . . 110 ILE HA . 16052 1 1318 . 1 1 110 110 ILE HB H 1 1.719 0.020 . 1 . . . . 110 ILE HB . 16052 1 1319 . 1 1 110 110 ILE HD11 H 1 0.618 0.020 . 1 . . . . 110 ILE HD1 . 16052 1 1320 . 1 1 110 110 ILE HD12 H 1 0.618 0.020 . 1 . . . . 110 ILE HD1 . 16052 1 1321 . 1 1 110 110 ILE HD13 H 1 0.618 0.020 . 1 . . . . 110 ILE HD1 . 16052 1 1322 . 1 1 110 110 ILE HG12 H 1 1.023 0.020 . 2 . . . . 110 ILE HG12 . 16052 1 1323 . 1 1 110 110 ILE HG13 H 1 1.431 0.020 . 2 . . . . 110 ILE HG13 . 16052 1 1324 . 1 1 110 110 ILE HG21 H 1 0.618 0.020 . 1 . . . . 110 ILE HG2 . 16052 1 1325 . 1 1 110 110 ILE HG22 H 1 0.618 0.020 . 1 . . . . 110 ILE HG2 . 16052 1 1326 . 1 1 110 110 ILE HG23 H 1 0.618 0.020 . 1 . . . . 110 ILE HG2 . 16052 1 1327 . 1 1 110 110 ILE C C 13 174.590 0.400 . 1 . . . . 110 ILE C . 16052 1 1328 . 1 1 110 110 ILE CA C 13 59.900 0.400 . 1 . . . . 110 ILE CA . 16052 1 1329 . 1 1 110 110 ILE CB C 13 38.370 0.400 . 1 . . . . 110 ILE CB . 16052 1 1330 . 1 1 110 110 ILE CD1 C 13 12.980 0.400 . 1 . . . . 110 ILE CD1 . 16052 1 1331 . 1 1 110 110 ILE CG1 C 13 26.950 0.400 . 1 . . . . 110 ILE CG1 . 16052 1 1332 . 1 1 110 110 ILE CG2 C 13 17.290 0.400 . 1 . . . . 110 ILE CG2 . 16052 1 1333 . 1 1 110 110 ILE N N 15 118.740 0.400 . 1 . . . . 110 ILE N . 16052 1 1334 . 1 1 111 111 PHE H H 1 8.859 0.020 . 1 . . . . 111 PHE H . 16052 1 1335 . 1 1 111 111 PHE HA H 1 4.980 0.020 . 1 . . . . 111 PHE HA . 16052 1 1336 . 1 1 111 111 PHE HB2 H 1 3.458 0.020 . 2 . . . . 111 PHE HB2 . 16052 1 1337 . 1 1 111 111 PHE HB3 H 1 2.640 0.020 . 2 . . . . 111 PHE HB3 . 16052 1 1338 . 1 1 111 111 PHE HD1 H 1 7.255 0.020 . 1 . . . . 111 PHE HD1 . 16052 1 1339 . 1 1 111 111 PHE HD2 H 1 7.255 0.020 . 1 . . . . 111 PHE HD2 . 16052 1 1340 . 1 1 111 111 PHE HE1 H 1 7.189 0.020 . 1 . . . . 111 PHE HE1 . 16052 1 1341 . 1 1 111 111 PHE HE2 H 1 7.189 0.020 . 1 . . . . 111 PHE HE2 . 16052 1 1342 . 1 1 111 111 PHE CA C 13 56.850 0.400 . 1 . . . . 111 PHE CA . 16052 1 1343 . 1 1 111 111 PHE CB C 13 42.950 0.400 . 1 . . . . 111 PHE CB . 16052 1 1344 . 1 1 111 111 PHE N N 15 124.030 0.400 . 1 . . . . 111 PHE N . 16052 1 1345 . 1 1 112 112 MET HA H 1 4.365 0.020 . 1 . . . . 112 MET HA . 16052 1 1346 . 1 1 112 112 MET HB2 H 1 2.243 0.020 . 2 . . . . 112 MET HB2 . 16052 1 1347 . 1 1 112 112 MET HB3 H 1 2.243 0.020 . 2 . . . . 112 MET HB3 . 16052 1 1348 . 1 1 112 112 MET HE1 H 1 2.137 0.020 . 1 . . . . 112 MET HE . 16052 1 1349 . 1 1 112 112 MET HE2 H 1 2.137 0.020 . 1 . . . . 112 MET HE . 16052 1 1350 . 1 1 112 112 MET HE3 H 1 2.137 0.020 . 1 . . . . 112 MET HE . 16052 1 1351 . 1 1 112 112 MET HG2 H 1 2.645 0.020 . 2 . . . . 112 MET HG2 . 16052 1 1352 . 1 1 112 112 MET HG3 H 1 2.645 0.020 . 2 . . . . 112 MET HG3 . 16052 1 1353 . 1 1 112 112 MET C C 13 176.510 0.400 . 1 . . . . 112 MET C . 16052 1 1354 . 1 1 112 112 MET CA C 13 58.550 0.400 . 1 . . . . 112 MET CA . 16052 1 1355 . 1 1 112 112 MET CB C 13 33.750 0.400 . 1 . . . . 112 MET CB . 16052 1 1356 . 1 1 112 112 MET CG C 13 32.440 0.400 . 1 . . . . 112 MET CG . 16052 1 1357 . 1 1 113 113 THR H H 1 7.321 0.020 . 1 . . . . 113 THR H . 16052 1 1358 . 1 1 113 113 THR HA H 1 4.815 0.020 . 1 . . . . 113 THR HA . 16052 1 1359 . 1 1 113 113 THR HB H 1 4.530 0.020 . 1 . . . . 113 THR HB . 16052 1 1360 . 1 1 113 113 THR HG21 H 1 1.204 0.020 . 1 . . . . 113 THR HG2 . 16052 1 1361 . 1 1 113 113 THR HG22 H 1 1.204 0.020 . 1 . . . . 113 THR HG2 . 16052 1 1362 . 1 1 113 113 THR HG23 H 1 1.204 0.020 . 1 . . . . 113 THR HG2 . 16052 1 1363 . 1 1 113 113 THR C C 13 173.410 0.400 . 1 . . . . 113 THR C . 16052 1 1364 . 1 1 113 113 THR CA C 13 58.610 0.400 . 1 . . . . 113 THR CA . 16052 1 1365 . 1 1 113 113 THR CB C 13 73.020 0.400 . 1 . . . . 113 THR CB . 16052 1 1366 . 1 1 113 113 THR CG2 C 13 21.800 0.400 . 1 . . . . 113 THR CG2 . 16052 1 1367 . 1 1 113 113 THR N N 15 103.030 0.400 . 1 . . . . 113 THR N . 16052 1 1368 . 1 1 114 114 LEU H H 1 9.420 0.020 . 1 . . . . 114 LEU H . 16052 1 1369 . 1 1 114 114 LEU HA H 1 4.574 0.020 . 1 . . . . 114 LEU HA . 16052 1 1370 . 1 1 114 114 LEU HB2 H 1 1.684 0.020 . 2 . . . . 114 LEU HB2 . 16052 1 1371 . 1 1 114 114 LEU HB3 H 1 1.684 0.020 . 2 . . . . 114 LEU HB3 . 16052 1 1372 . 1 1 114 114 LEU HD11 H 1 1.026 0.020 . 2 . . . . 114 LEU HD1 . 16052 1 1373 . 1 1 114 114 LEU HD12 H 1 1.026 0.020 . 2 . . . . 114 LEU HD1 . 16052 1 1374 . 1 1 114 114 LEU HD13 H 1 1.026 0.020 . 2 . . . . 114 LEU HD1 . 16052 1 1375 . 1 1 114 114 LEU HD21 H 1 1.026 0.020 . 2 . . . . 114 LEU HD2 . 16052 1 1376 . 1 1 114 114 LEU HD22 H 1 1.026 0.020 . 2 . . . . 114 LEU HD2 . 16052 1 1377 . 1 1 114 114 LEU HD23 H 1 1.026 0.020 . 2 . . . . 114 LEU HD2 . 16052 1 1378 . 1 1 114 114 LEU HG H 1 1.533 0.020 . 1 . . . . 114 LEU HG . 16052 1 1379 . 1 1 114 114 LEU CA C 13 58.600 0.400 . 1 . . . . 114 LEU CA . 16052 1 1380 . 1 1 114 114 LEU CB C 13 39.450 0.400 . 1 . . . . 114 LEU CB . 16052 1 1381 . 1 1 114 114 LEU CD1 C 13 23.130 0.400 . 1 . . . . 114 LEU CD1 . 16052 1 1382 . 1 1 114 114 LEU CD2 C 13 23.130 0.400 . 1 . . . . 114 LEU CD2 . 16052 1 1383 . 1 1 114 114 LEU CG C 13 26.980 0.400 . 1 . . . . 114 LEU CG . 16052 1 1384 . 1 1 114 114 LEU N N 15 121.990 0.400 . 1 . . . . 114 LEU N . 16052 1 1385 . 1 1 115 115 PRO HA H 1 4.104 0.020 . 1 . . . . 115 PRO HA . 16052 1 1386 . 1 1 115 115 PRO HB2 H 1 2.287 0.020 . 2 . . . . 115 PRO HB2 . 16052 1 1387 . 1 1 115 115 PRO HB3 H 1 2.287 0.020 . 2 . . . . 115 PRO HB3 . 16052 1 1388 . 1 1 115 115 PRO HD2 H 1 3.439 0.020 . 2 . . . . 115 PRO HD2 . 16052 1 1389 . 1 1 115 115 PRO HD3 H 1 3.300 0.020 . 2 . . . . 115 PRO HD3 . 16052 1 1390 . 1 1 115 115 PRO HG2 H 1 1.741 0.020 . 2 . . . . 115 PRO HG2 . 16052 1 1391 . 1 1 115 115 PRO HG3 H 1 1.741 0.020 . 2 . . . . 115 PRO HG3 . 16052 1 1392 . 1 1 115 115 PRO C C 13 179.440 0.400 . 1 . . . . 115 PRO C . 16052 1 1393 . 1 1 115 115 PRO CA C 13 67.020 0.400 . 1 . . . . 115 PRO CA . 16052 1 1394 . 1 1 115 115 PRO CB C 13 31.330 0.400 . 1 . . . . 115 PRO CB . 16052 1 1395 . 1 1 115 115 PRO CD C 13 49.800 0.400 . 1 . . . . 115 PRO CD . 16052 1 1396 . 1 1 115 115 PRO CG C 13 28.500 0.400 . 1 . . . . 115 PRO CG . 16052 1 1397 . 1 1 116 116 THR H H 1 7.311 0.020 . 1 . . . . 116 THR H . 16052 1 1398 . 1 1 116 116 THR HA H 1 3.982 0.020 . 1 . . . . 116 THR HA . 16052 1 1399 . 1 1 116 116 THR HB H 1 4.320 0.020 . 1 . . . . 116 THR HB . 16052 1 1400 . 1 1 116 116 THR HG21 H 1 1.461 0.020 . 1 . . . . 116 THR HG2 . 16052 1 1401 . 1 1 116 116 THR HG22 H 1 1.461 0.020 . 1 . . . . 116 THR HG2 . 16052 1 1402 . 1 1 116 116 THR HG23 H 1 1.461 0.020 . 1 . . . . 116 THR HG2 . 16052 1 1403 . 1 1 116 116 THR C C 13 176.530 0.400 . 1 . . . . 116 THR C . 16052 1 1404 . 1 1 116 116 THR CA C 13 66.310 0.400 . 1 . . . . 116 THR CA . 16052 1 1405 . 1 1 116 116 THR CB C 13 69.040 0.400 . 1 . . . . 116 THR CB . 16052 1 1406 . 1 1 116 116 THR CG2 C 13 23.250 0.400 . 1 . . . . 116 THR CG2 . 16052 1 1407 . 1 1 116 116 THR N N 15 109.300 0.400 . 1 . . . . 116 THR N . 16052 1 1408 . 1 1 117 117 ALA H H 1 7.216 0.020 . 1 . . . . 117 ALA H . 16052 1 1409 . 1 1 117 117 ALA HA H 1 2.389 0.020 . 1 . . . . 117 ALA HA . 16052 1 1410 . 1 1 117 117 ALA HB1 H 1 1.102 0.020 . 1 . . . . 117 ALA HB . 16052 1 1411 . 1 1 117 117 ALA HB2 H 1 1.102 0.020 . 1 . . . . 117 ALA HB . 16052 1 1412 . 1 1 117 117 ALA HB3 H 1 1.102 0.020 . 1 . . . . 117 ALA HB . 16052 1 1413 . 1 1 117 117 ALA C C 13 178.130 0.400 . 1 . . . . 117 ALA C . 16052 1 1414 . 1 1 117 117 ALA CA C 13 54.710 0.400 . 1 . . . . 117 ALA CA . 16052 1 1415 . 1 1 117 117 ALA CB C 13 18.930 0.400 . 1 . . . . 117 ALA CB . 16052 1 1416 . 1 1 117 117 ALA N N 15 126.710 0.400 . 1 . . . . 117 ALA N . 16052 1 1417 . 1 1 118 118 VAL H H 1 7.880 0.020 . 1 . . . . 118 VAL H . 16052 1 1418 . 1 1 118 118 VAL HA H 1 3.157 0.020 . 1 . . . . 118 VAL HA . 16052 1 1419 . 1 1 118 118 VAL HB H 1 1.943 0.020 . 1 . . . . 118 VAL HB . 16052 1 1420 . 1 1 118 118 VAL HG11 H 1 0.744 0.020 . 2 . . . . 118 VAL HG1 . 16052 1 1421 . 1 1 118 118 VAL HG12 H 1 0.744 0.020 . 2 . . . . 118 VAL HG1 . 16052 1 1422 . 1 1 118 118 VAL HG13 H 1 0.744 0.020 . 2 . . . . 118 VAL HG1 . 16052 1 1423 . 1 1 118 118 VAL HG21 H 1 0.744 0.020 . 2 . . . . 118 VAL HG2 . 16052 1 1424 . 1 1 118 118 VAL HG22 H 1 0.744 0.020 . 2 . . . . 118 VAL HG2 . 16052 1 1425 . 1 1 118 118 VAL HG23 H 1 0.744 0.020 . 2 . . . . 118 VAL HG2 . 16052 1 1426 . 1 1 118 118 VAL C C 13 177.990 0.400 . 1 . . . . 118 VAL C . 16052 1 1427 . 1 1 118 118 VAL CA C 13 67.040 0.400 . 1 . . . . 118 VAL CA . 16052 1 1428 . 1 1 118 118 VAL CB C 13 31.640 0.400 . 1 . . . . 118 VAL CB . 16052 1 1429 . 1 1 118 118 VAL CG1 C 13 21.670 0.400 . 1 . . . . 118 VAL CG1 . 16052 1 1430 . 1 1 118 118 VAL CG2 C 13 21.720 0.400 . 1 . . . . 118 VAL CG2 . 16052 1 1431 . 1 1 118 118 VAL N N 15 117.000 0.400 . 1 . . . . 118 VAL N . 16052 1 1432 . 1 1 119 119 GLN H H 1 7.950 0.020 . 1 . . . . 119 GLN H . 16052 1 1433 . 1 1 119 119 GLN HA H 1 3.890 0.020 . 1 . . . . 119 GLN HA . 16052 1 1434 . 1 1 119 119 GLN HB2 H 1 1.990 0.020 . 2 . . . . 119 GLN HB2 . 16052 1 1435 . 1 1 119 119 GLN HB3 H 1 1.990 0.020 . 2 . . . . 119 GLN HB3 . 16052 1 1436 . 1 1 119 119 GLN HE21 H 1 6.835 0.020 . 2 . . . . 119 GLN HE21 . 16052 1 1437 . 1 1 119 119 GLN HE22 H 1 7.397 0.020 . 2 . . . . 119 GLN HE22 . 16052 1 1438 . 1 1 119 119 GLN HG2 H 1 2.354 0.020 . 2 . . . . 119 GLN HG2 . 16052 1 1439 . 1 1 119 119 GLN HG3 H 1 2.354 0.020 . 2 . . . . 119 GLN HG3 . 16052 1 1440 . 1 1 119 119 GLN C C 13 178.110 0.400 . 1 . . . . 119 GLN C . 16052 1 1441 . 1 1 119 119 GLN CA C 13 59.230 0.400 . 1 . . . . 119 GLN CA . 16052 1 1442 . 1 1 119 119 GLN CB C 13 28.660 0.400 . 1 . . . . 119 GLN CB . 16052 1 1443 . 1 1 119 119 GLN CG C 13 33.830 0.400 . 1 . . . . 119 GLN CG . 16052 1 1444 . 1 1 119 119 GLN N N 15 118.630 0.400 . 1 . . . . 119 GLN N . 16052 1 1445 . 1 1 119 119 GLN NE2 N 15 111.725 0.400 . 1 . . . . 119 GLN NE2 . 16052 1 1446 . 1 1 120 120 ALA H H 1 7.564 0.020 . 1 . . . . 120 ALA H . 16052 1 1447 . 1 1 120 120 ALA HA H 1 3.959 0.020 . 1 . . . . 120 ALA HA . 16052 1 1448 . 1 1 120 120 ALA HB1 H 1 1.615 0.020 . 1 . . . . 120 ALA HB . 16052 1 1449 . 1 1 120 120 ALA HB2 H 1 1.615 0.020 . 1 . . . . 120 ALA HB . 16052 1 1450 . 1 1 120 120 ALA HB3 H 1 1.615 0.020 . 1 . . . . 120 ALA HB . 16052 1 1451 . 1 1 120 120 ALA C C 13 180.220 0.400 . 1 . . . . 120 ALA C . 16052 1 1452 . 1 1 120 120 ALA CA C 13 55.480 0.400 . 1 . . . . 120 ALA CA . 16052 1 1453 . 1 1 120 120 ALA CB C 13 19.420 0.400 . 1 . . . . 120 ALA CB . 16052 1 1454 . 1 1 120 120 ALA N N 15 121.790 0.400 . 1 . . . . 120 ALA N . 16052 1 1455 . 1 1 121 121 PHE H H 1 7.905 0.020 . 1 . . . . 121 PHE H . 16052 1 1456 . 1 1 121 121 PHE HA H 1 4.120 0.020 . 1 . . . . 121 PHE HA . 16052 1 1457 . 1 1 121 121 PHE HB2 H 1 2.795 0.020 . 2 . . . . 121 PHE HB2 . 16052 1 1458 . 1 1 121 121 PHE HB3 H 1 2.329 0.020 . 2 . . . . 121 PHE HB3 . 16052 1 1459 . 1 1 121 121 PHE HD1 H 1 6.967 0.020 . 1 . . . . 121 PHE HD1 . 16052 1 1460 . 1 1 121 121 PHE HD2 H 1 6.967 0.020 . 1 . . . . 121 PHE HD2 . 16052 1 1461 . 1 1 121 121 PHE C C 13 178.960 0.400 . 1 . . . . 121 PHE C . 16052 1 1462 . 1 1 121 121 PHE CA C 13 61.120 0.400 . 1 . . . . 121 PHE CA . 16052 1 1463 . 1 1 121 121 PHE CB C 13 38.660 0.400 . 1 . . . . 121 PHE CB . 16052 1 1464 . 1 1 121 121 PHE N N 15 120.960 0.400 . 1 . . . . 121 PHE N . 16052 1 1465 . 1 1 122 122 ARG H H 1 8.223 0.020 . 1 . . . . 122 ARG H . 16052 1 1466 . 1 1 122 122 ARG HA H 1 3.456 0.020 . 1 . . . . 122 ARG HA . 16052 1 1467 . 1 1 122 122 ARG HB2 H 1 1.922 0.020 . 2 . . . . 122 ARG HB2 . 16052 1 1468 . 1 1 122 122 ARG HB3 H 1 1.922 0.020 . 2 . . . . 122 ARG HB3 . 16052 1 1469 . 1 1 122 122 ARG HD2 H 1 3.105 0.020 . 2 . . . . 122 ARG HD2 . 16052 1 1470 . 1 1 122 122 ARG HD3 H 1 3.105 0.020 . 2 . . . . 122 ARG HD3 . 16052 1 1471 . 1 1 122 122 ARG HG2 H 1 1.797 0.020 . 2 . . . . 122 ARG HG2 . 16052 1 1472 . 1 1 122 122 ARG HG3 H 1 1.797 0.020 . 2 . . . . 122 ARG HG3 . 16052 1 1473 . 1 1 122 122 ARG C C 13 177.740 0.400 . 1 . . . . 122 ARG C . 16052 1 1474 . 1 1 122 122 ARG CA C 13 59.720 0.400 . 1 . . . . 122 ARG CA . 16052 1 1475 . 1 1 122 122 ARG CB C 13 30.110 0.400 . 1 . . . . 122 ARG CB . 16052 1 1476 . 1 1 122 122 ARG CD C 13 43.490 0.400 . 1 . . . . 122 ARG CD . 16052 1 1477 . 1 1 122 122 ARG CG C 13 28.700 0.400 . 1 . . . . 122 ARG CG . 16052 1 1478 . 1 1 122 122 ARG N N 15 119.580 0.400 . 1 . . . . 122 ARG N . 16052 1 1479 . 1 1 123 123 ARG H H 1 7.309 0.020 . 1 . . . . 123 ARG H . 16052 1 1480 . 1 1 123 123 ARG HA H 1 4.196 0.020 . 1 . . . . 123 ARG HA . 16052 1 1481 . 1 1 123 123 ARG HB2 H 1 1.940 0.020 . 2 . . . . 123 ARG HB2 . 16052 1 1482 . 1 1 123 123 ARG HB3 H 1 1.940 0.020 . 2 . . . . 123 ARG HB3 . 16052 1 1483 . 1 1 123 123 ARG HD2 H 1 3.074 0.020 . 2 . . . . 123 ARG HD2 . 16052 1 1484 . 1 1 123 123 ARG HD3 H 1 3.074 0.020 . 2 . . . . 123 ARG HD3 . 16052 1 1485 . 1 1 123 123 ARG HG2 H 1 1.652 0.020 . 2 . . . . 123 ARG HG2 . 16052 1 1486 . 1 1 123 123 ARG HG3 H 1 1.652 0.020 . 2 . . . . 123 ARG HG3 . 16052 1 1487 . 1 1 123 123 ARG C C 13 177.170 0.400 . 1 . . . . 123 ARG C . 16052 1 1488 . 1 1 123 123 ARG CA C 13 56.190 0.400 . 1 . . . . 123 ARG CA . 16052 1 1489 . 1 1 123 123 ARG CB C 13 30.370 0.400 . 1 . . . . 123 ARG CB . 16052 1 1490 . 1 1 123 123 ARG CD C 13 43.420 0.400 . 1 . . . . 123 ARG CD . 16052 1 1491 . 1 1 123 123 ARG CG C 13 27.330 0.400 . 1 . . . . 123 ARG CG . 16052 1 1492 . 1 1 123 123 ARG N N 15 116.720 0.400 . 1 . . . . 123 ARG N . 16052 1 1493 . 1 1 124 124 ARG H H 1 7.053 0.020 . 1 . . . . 124 ARG H . 16052 1 1494 . 1 1 124 124 ARG HA H 1 4.158 0.020 . 1 . . . . 124 ARG HA . 16052 1 1495 . 1 1 124 124 ARG HB2 H 1 1.928 0.020 . 2 . . . . 124 ARG HB2 . 16052 1 1496 . 1 1 124 124 ARG HB3 H 1 1.928 0.020 . 2 . . . . 124 ARG HB3 . 16052 1 1497 . 1 1 124 124 ARG HD2 H 1 3.075 0.020 . 2 . . . . 124 ARG HD2 . 16052 1 1498 . 1 1 124 124 ARG HD3 H 1 3.075 0.020 . 2 . . . . 124 ARG HD3 . 16052 1 1499 . 1 1 124 124 ARG HG2 H 1 1.338 0.020 . 2 . . . . 124 ARG HG2 . 16052 1 1500 . 1 1 124 124 ARG HG3 H 1 1.338 0.020 . 2 . . . . 124 ARG HG3 . 16052 1 1501 . 1 1 124 124 ARG C C 13 176.140 0.400 . 1 . . . . 124 ARG C . 16052 1 1502 . 1 1 124 124 ARG CA C 13 58.290 0.400 . 1 . . . . 124 ARG CA . 16052 1 1503 . 1 1 124 124 ARG CB C 13 28.840 0.400 . 1 . . . . 124 ARG CB . 16052 1 1504 . 1 1 124 124 ARG CD C 13 42.800 0.400 . 1 . . . . 124 ARG CD . 16052 1 1505 . 1 1 124 124 ARG CG C 13 24.700 0.400 . 1 . . . . 124 ARG CG . 16052 1 1506 . 1 1 124 124 ARG N N 15 119.440 0.400 . 1 . . . . 124 ARG N . 16052 1 stop_ save_