data_5929 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5929 _Entry.Title ; NMR assignment of the hypothetical rhodanase domain At4g01050 from Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-01 _Entry.Accession_date 2003-09-02 _Entry.Last_release_date 2004-04-07 _Entry.Original_release_date 2004-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Pantoja-Uceda . . . 5929 2 Blanca Lopez-Mendez . . . 5929 3 Seizo Koshiba . . . 5929 4 Takanori Kigawa . . . 5929 5 Mikako Shirouzu . . . 5929 6 Takaho Terada . . . 5929 7 Makoto Inoue . . . 5929 8 Takashi Yabuki . . . 5929 9 Masaaki Aoki . . . 5929 10 Eiko Seki . . . 5929 11 Takayoshi Matsuda . . . 5929 12 Hiroshi Hirota . . . 5929 13 Mayumi Yoshida . . . 5929 14 Akiko Tanaka . . . 5929 15 Takashi Osanai . . . 5929 16 Motoaki Seki . . . 5929 17 Kazuo Shinozaki . . . 5929 18 Shigeyuki Yokoyama . . . 5929 19 Peter Guntert . . . 5929 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5929 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 908 5929 '13C chemical shifts' 559 5929 '15N chemical shifts' 142 5929 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-04-07 2003-09-01 original author . 5929 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5929 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15014235 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR assignment of the hypothetical rhodanese domain At4g01050 from Arabidopsis thaliana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 207 _Citation.Page_last 208 _Citation.Year 2004 _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 David Pantoja-Uceda . . . 5929 1 2 Blanca Lopez-Mendez . . . 5929 1 3 Seizo Koshiba . . . 5929 1 4 Takanori Kigawa . . . 5929 1 5 Mikako Shirouzu . . . 5929 1 6 Takaho Terada . . . 5929 1 7 Makoto Inoue . . . 5929 1 8 Takashi Yabuki . . . 5929 1 9 Masaaki Aoki . . . 5929 1 10 Eiko Seki . . . 5929 1 11 Takayoshi Matsuda . . . 5929 1 12 Hiroshi Hirota . . . 5929 1 13 Mayumi Yoshida . . . 5929 1 14 Akiko Tanaka . . . 5929 1 15 Takashi Osanai . . . 5929 1 16 Motoaki Seki . . . 5929 1 17 Kazuo Shinozaki . . . 5929 1 18 Shigeyuki Yokoyama . . . 5929 1 19 Peter Guntert . . . 5929 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_rhodanase_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_rhodanase_domain _Assembly.Entry_ID 5929 _Assembly.ID 1 _Assembly.Name 'hypothetical rhodanase domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5929 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'rhodanase monomer' 1 $rhodanase . . . native . . . . . 5929 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hypothetical rhodanase domain' system 5929 1 'rhodanase domain' abbreviation 5929 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rhodanase _Entity.Sf_category entity _Entity.Sf_framecode rhodanase _Entity.Entry_ID 5929 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'single chain biopolymer' _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 ; GSSGSSGSAKNAYTKLGTDD NAQLLDIRATADFRQVGSPN IKGLGKKAVSTVYNGEDKPG FLKKLSLKFKDPENTTLYIL DKFDGNSELVAELVALNGFK SAYAIKDGAEGPRGWLNSSL PWIEPKKTSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1VEE . "Nmr Structure Of The Hypothetical Rhodanese Domain At4g01050 From Arabidopsis Thaliana" . . . . . 100.00 134 100.00 100.00 1.38e-88 . . . . 5929 1 2 no PDB 2DCQ . "Fully Automated Nmr Structure Determination Of The Rhodanese Homology Domain At4g01050(175-295) From Arabidopsis Thaliana" . . . . . 100.00 134 100.00 100.00 1.38e-88 . . . . 5929 1 3 no DBJ BAE98457 . "hypothetical protein [Arabidopsis thaliana]" . . . . . 90.30 466 100.00 100.00 1.35e-78 . . . . 5929 1 4 no EMBL CAB80914 . "hypothetical protein [Arabidopsis thaliana]" . . . . . 90.30 457 100.00 100.00 6.06e-78 . . . . 5929 1 5 no GB AAB61039 . "A_IG002N01.31 gene product [Arabidopsis thaliana]" . . . . . 90.30 968 100.00 100.00 4.72e-74 . . . . 5929 1 6 no GB AAL09804 . "AT4g01050/F2N1_31 [Arabidopsis thaliana]" . . . . . 90.30 466 100.00 100.00 1.35e-78 . . . . 5929 1 7 no GB AAL15331 . "AT4g01050/F2N1_31 [Arabidopsis thaliana]" . . . . . 90.30 466 100.00 100.00 1.35e-78 . . . . 5929 1 8 no GB AAM70579 . "AT4g01050/F2N1_31 [Arabidopsis thaliana]" . . . . . 90.30 466 100.00 100.00 1.35e-78 . . . . 5929 1 9 no GB AEE81973 . "thylakoid rhodanese-like protein [Arabidopsis thaliana]" . . . . . 90.30 466 100.00 100.00 1.35e-78 . . . . 5929 1 10 no REF NP_567209 . "thylakoid rhodanese-like protein [Arabidopsis thaliana]" . . . . . 90.30 466 100.00 100.00 1.35e-78 . . . . 5929 1 11 no REF XP_010424692 . "PREDICTED: rhodanese-like domain-containing protein 4, chloroplastic [Camelina sativa]" . . . . . 55.97 208 97.33 98.67 9.73e-42 . . . . 5929 1 12 no SP Q9M158 . "RecName: Full=Rhodanese-like domain-containing protein 4, chloroplastic; AltName: Full=Protein THYLAKOID RHODANESE-LIKE; AltNam" . . . . . 90.30 466 100.00 100.00 1.35e-78 . . . . 5929 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'single chain biopolymer' common 5929 1 rhodanase abbreviation 5929 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 . GLY . 5929 1 2 . SER . 5929 1 3 . SER . 5929 1 4 . GLY . 5929 1 5 . SER . 5929 1 6 . SER . 5929 1 7 . GLY . 5929 1 8 . SER . 5929 1 9 . ALA . 5929 1 10 . LYS . 5929 1 11 . ASN . 5929 1 12 . ALA . 5929 1 13 . TYR . 5929 1 14 . THR . 5929 1 15 . LYS . 5929 1 16 . LEU . 5929 1 17 . GLY . 5929 1 18 . THR . 5929 1 19 . ASP . 5929 1 20 . ASP . 5929 1 21 . ASN . 5929 1 22 . ALA . 5929 1 23 . GLN . 5929 1 24 . LEU . 5929 1 25 . LEU . 5929 1 26 . ASP . 5929 1 27 . ILE . 5929 1 28 . ARG . 5929 1 29 . ALA . 5929 1 30 . THR . 5929 1 31 . ALA . 5929 1 32 . ASP . 5929 1 33 . PHE . 5929 1 34 . ARG . 5929 1 35 . GLN . 5929 1 36 . VAL . 5929 1 37 . GLY . 5929 1 38 . SER . 5929 1 39 . PRO . 5929 1 40 . ASN . 5929 1 41 . ILE . 5929 1 42 . LYS . 5929 1 43 . GLY . 5929 1 44 . LEU . 5929 1 45 . GLY . 5929 1 46 . LYS . 5929 1 47 . LYS . 5929 1 48 . ALA . 5929 1 49 . VAL . 5929 1 50 . SER . 5929 1 51 . THR . 5929 1 52 . VAL . 5929 1 53 . TYR . 5929 1 54 . ASN . 5929 1 55 . GLY . 5929 1 56 . GLU . 5929 1 57 . ASP . 5929 1 58 . LYS . 5929 1 59 . PRO . 5929 1 60 . GLY . 5929 1 61 . PHE . 5929 1 62 . LEU . 5929 1 63 . LYS . 5929 1 64 . LYS . 5929 1 65 . LEU . 5929 1 66 . SER . 5929 1 67 . LEU . 5929 1 68 . LYS . 5929 1 69 . PHE . 5929 1 70 . LYS . 5929 1 71 . ASP . 5929 1 72 . PRO . 5929 1 73 . GLU . 5929 1 74 . ASN . 5929 1 75 . THR . 5929 1 76 . THR . 5929 1 77 . LEU . 5929 1 78 . TYR . 5929 1 79 . ILE . 5929 1 80 . LEU . 5929 1 81 . ASP . 5929 1 82 . LYS . 5929 1 83 . PHE . 5929 1 84 . ASP . 5929 1 85 . GLY . 5929 1 86 . ASN . 5929 1 87 . SER . 5929 1 88 . GLU . 5929 1 89 . LEU . 5929 1 90 . VAL . 5929 1 91 . ALA . 5929 1 92 . GLU . 5929 1 93 . LEU . 5929 1 94 . VAL . 5929 1 95 . ALA . 5929 1 96 . LEU . 5929 1 97 . ASN . 5929 1 98 . GLY . 5929 1 99 . PHE . 5929 1 100 . LYS . 5929 1 101 . SER . 5929 1 102 . ALA . 5929 1 103 . TYR . 5929 1 104 . ALA . 5929 1 105 . ILE . 5929 1 106 . LYS . 5929 1 107 . ASP . 5929 1 108 . GLY . 5929 1 109 . ALA . 5929 1 110 . GLU . 5929 1 111 . GLY . 5929 1 112 . PRO . 5929 1 113 . ARG . 5929 1 114 . GLY . 5929 1 115 . TRP . 5929 1 116 . LEU . 5929 1 117 . ASN . 5929 1 118 . SER . 5929 1 119 . SER . 5929 1 120 . LEU . 5929 1 121 . PRO . 5929 1 122 . TRP . 5929 1 123 . ILE . 5929 1 124 . GLU . 5929 1 125 . PRO . 5929 1 126 . LYS . 5929 1 127 . LYS . 5929 1 128 . THR . 5929 1 129 . SER . 5929 1 130 . GLY . 5929 1 131 . PRO . 5929 1 132 . SER . 5929 1 133 . SER . 5929 1 134 . GLY . 5929 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 . GLY 1 1 5929 1 . SER 2 2 5929 1 . SER 3 3 5929 1 . GLY 4 4 5929 1 . SER 5 5 5929 1 . SER 6 6 5929 1 . GLY 7 7 5929 1 . SER 8 8 5929 1 . ALA 9 9 5929 1 . LYS 10 10 5929 1 . ASN 11 11 5929 1 . ALA 12 12 5929 1 . TYR 13 13 5929 1 . THR 14 14 5929 1 . LYS 15 15 5929 1 . LEU 16 16 5929 1 . GLY 17 17 5929 1 . THR 18 18 5929 1 . ASP 19 19 5929 1 . ASP 20 20 5929 1 . ASN 21 21 5929 1 . ALA 22 22 5929 1 . GLN 23 23 5929 1 . LEU 24 24 5929 1 . LEU 25 25 5929 1 . ASP 26 26 5929 1 . ILE 27 27 5929 1 . ARG 28 28 5929 1 . ALA 29 29 5929 1 . THR 30 30 5929 1 . ALA 31 31 5929 1 . ASP 32 32 5929 1 . PHE 33 33 5929 1 . ARG 34 34 5929 1 . GLN 35 35 5929 1 . VAL 36 36 5929 1 . GLY 37 37 5929 1 . SER 38 38 5929 1 . PRO 39 39 5929 1 . ASN 40 40 5929 1 . ILE 41 41 5929 1 . LYS 42 42 5929 1 . GLY 43 43 5929 1 . LEU 44 44 5929 1 . GLY 45 45 5929 1 . LYS 46 46 5929 1 . LYS 47 47 5929 1 . ALA 48 48 5929 1 . VAL 49 49 5929 1 . SER 50 50 5929 1 . THR 51 51 5929 1 . VAL 52 52 5929 1 . TYR 53 53 5929 1 . ASN 54 54 5929 1 . GLY 55 55 5929 1 . GLU 56 56 5929 1 . ASP 57 57 5929 1 . LYS 58 58 5929 1 . PRO 59 59 5929 1 . GLY 60 60 5929 1 . PHE 61 61 5929 1 . LEU 62 62 5929 1 . LYS 63 63 5929 1 . LYS 64 64 5929 1 . LEU 65 65 5929 1 . SER 66 66 5929 1 . LEU 67 67 5929 1 . LYS 68 68 5929 1 . PHE 69 69 5929 1 . LYS 70 70 5929 1 . ASP 71 71 5929 1 . PRO 72 72 5929 1 . GLU 73 73 5929 1 . ASN 74 74 5929 1 . THR 75 75 5929 1 . THR 76 76 5929 1 . LEU 77 77 5929 1 . TYR 78 78 5929 1 . ILE 79 79 5929 1 . LEU 80 80 5929 1 . ASP 81 81 5929 1 . LYS 82 82 5929 1 . PHE 83 83 5929 1 . ASP 84 84 5929 1 . GLY 85 85 5929 1 . ASN 86 86 5929 1 . SER 87 87 5929 1 . GLU 88 88 5929 1 . LEU 89 89 5929 1 . VAL 90 90 5929 1 . ALA 91 91 5929 1 . GLU 92 92 5929 1 . LEU 93 93 5929 1 . VAL 94 94 5929 1 . ALA 95 95 5929 1 . LEU 96 96 5929 1 . ASN 97 97 5929 1 . GLY 98 98 5929 1 . PHE 99 99 5929 1 . LYS 100 100 5929 1 . SER 101 101 5929 1 . ALA 102 102 5929 1 . TYR 103 103 5929 1 . ALA 104 104 5929 1 . ILE 105 105 5929 1 . LYS 106 106 5929 1 . ASP 107 107 5929 1 . GLY 108 108 5929 1 . ALA 109 109 5929 1 . GLU 110 110 5929 1 . GLY 111 111 5929 1 . PRO 112 112 5929 1 . ARG 113 113 5929 1 . GLY 114 114 5929 1 . TRP 115 115 5929 1 . LEU 116 116 5929 1 . ASN 117 117 5929 1 . SER 118 118 5929 1 . SER 119 119 5929 1 . LEU 120 120 5929 1 . PRO 121 121 5929 1 . TRP 122 122 5929 1 . ILE 123 123 5929 1 . GLU 124 124 5929 1 . PRO 125 125 5929 1 . LYS 126 126 5929 1 . LYS 127 127 5929 1 . THR 128 128 5929 1 . SER 129 129 5929 1 . GLY 130 130 5929 1 . PRO 131 131 5929 1 . SER 132 132 5929 1 . SER 133 133 5929 1 . GLY 134 134 5929 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 5929 _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 $rhodanase . 3702 . . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 5929 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 5929 _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 $rhodanase . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5929 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'single chain biopolymer' '[U-13C; U-15N]' . . 1 $rhodanase . . 1.10 . . mM . . . . 5929 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 5929 1 3 NaCl . . . . . . . 100 . . mM . . . . 5929 1 4 dithiothreitol . . . . . . . 1 . . mM . . . . 5929 1 5 'sodium azide' . . . . . . . 0.02 . . '% (v/v)' . . . . 5929 1 6 H2O . . . . . . . 90 . . '% (v/v)' . . . . 5929 1 7 D2O . . . . . . . 10 . . '% (v/v)' . . . . 5929 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_set_1 _Sample_condition_list.Entry_ID 5929 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 na 5929 1 temperature 298 0.5 K 5929 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5929 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5929 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5929 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5929 1 2 NMR_spectrometer_2 Bruker AV . 800 . . . 5929 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 5929 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '[1H,15N ]-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 2 [1H,13C]-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 4 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 6 'HA-coupled HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 7 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 8 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 9 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 10 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 11 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 12 (H)CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 13 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 14 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 15 H(CCCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 16 '3D 15N-edited [1H,1H]-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 17 '13C-edited [1H,1H]-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5929 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '[1H,15N ]-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name [1H,13C]-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'HA-coupled HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name (H)CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name H(CCCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D 15N-edited [1H,1H]-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 5929 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '13C-edited [1H,1H]-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5929 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.700 ppm at 300 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5929 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5929 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5929 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5929 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '[1H,15N ]-HSQC' 1 $sample_1 . 5929 1 2 [1H,13C]-HSQC 1 $sample_1 . 5929 1 3 HNCO 1 $sample_1 . 5929 1 4 HN(CA)CO 1 $sample_1 . 5929 1 5 HNCA 1 $sample_1 . 5929 1 6 'HA-coupled HNCA' 1 $sample_1 . 5929 1 7 HN(CO)CA 1 $sample_1 . 5929 1 8 HNCACB 1 $sample_1 . 5929 1 9 CBCA(CO)NH 1 $sample_1 . 5929 1 10 HNHA 1 $sample_1 . 5929 1 11 HBHA(CO)NH 1 $sample_1 . 5929 1 12 (H)CC(CO)NH 1 $sample_1 . 5929 1 13 HCCH-COSY 1 $sample_1 . 5929 1 14 HCCH-TOCSY 1 $sample_1 . 5929 1 15 H(CCCO)NH 1 $sample_1 . 5929 1 16 '3D 15N-edited [1H,1H]-NOESY' 1 $sample_1 . 5929 1 17 '13C-edited [1H,1H]-NOESY' 1 $sample_1 . 5929 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 42.7 0.3 . 1 . . . . . . . . 5929 1 2 . 1 1 1 1 GLY HA2 H 1 3.92 0.03 . 1 . . . . . . . . 5929 1 3 . 1 1 1 1 GLY HA3 H 1 3.92 0.03 . 1 . . . . . . . . 5929 1 4 . 1 1 2 2 SER N N 15 115.6 0.3 . 1 . . . . . . . . 5929 1 5 . 1 1 2 2 SER H H 1 8.11 0.03 . 1 . . . . . . . . 5929 1 6 . 1 1 2 2 SER CA C 13 55.6 0.3 . 1 . . . . . . . . 5929 1 7 . 1 1 2 2 SER HA H 1 4.51 0.03 . 1 . . . . . . . . 5929 1 8 . 1 1 2 2 SER CB C 13 61.4 0.3 . 1 . . . . . . . . 5929 1 9 . 1 1 2 2 SER HB2 H 1 3.81 0.03 . 1 . . . . . . . . 5929 1 10 . 1 1 2 2 SER HB3 H 1 3.81 0.03 . 1 . . . . . . . . 5929 1 11 . 1 1 2 2 SER C C 13 171.8 0.3 . 1 . . . . . . . . 5929 1 12 . 1 1 3 3 SER N N 15 117.8 0.3 . 1 . . . . . . . . 5929 1 13 . 1 1 3 3 SER H H 1 8.54 0.03 . 1 . . . . . . . . 5929 1 14 . 1 1 3 3 SER CA C 13 55.8 0.3 . 1 . . . . . . . . 5929 1 15 . 1 1 3 3 SER HA H 1 4.43 0.03 . 1 . . . . . . . . 5929 1 16 . 1 1 3 3 SER CB C 13 61.2 0.3 . 1 . . . . . . . . 5929 1 17 . 1 1 3 3 SER HB2 H 1 3.80 0.03 . 1 . . . . . . . . 5929 1 18 . 1 1 3 3 SER HB3 H 1 3.80 0.03 . 1 . . . . . . . . 5929 1 19 . 1 1 3 3 SER C C 13 172.2 0.3 . 1 . . . . . . . . 5929 1 20 . 1 1 4 4 GLY N N 15 110.6 0.3 . 1 . . . . . . . . 5929 1 21 . 1 1 4 4 GLY H H 1 8.40 0.03 . 1 . . . . . . . . 5929 1 22 . 1 1 4 4 GLY CA C 13 42.5 0.3 . 1 . . . . . . . . 5929 1 23 . 1 1 4 4 GLY HA2 H 1 3.95 0.03 . 2 . . . . . . . . 5929 1 24 . 1 1 4 4 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 5929 1 25 . 1 1 4 4 GLY C C 13 171.2 0.3 . 1 . . . . . . . . 5929 1 26 . 1 1 5 5 SER N N 15 115.5 0.3 . 1 . . . . . . . . 5929 1 27 . 1 1 5 5 SER H H 1 8.27 0.03 . 1 . . . . . . . . 5929 1 28 . 1 1 5 5 SER CA C 13 55.2 0.3 . 1 . . . . . . . . 5929 1 29 . 1 1 5 5 SER HA H 1 4.57 0.03 . 1 . . . . . . . . 5929 1 30 . 1 1 5 5 SER CB C 13 61.4 0.3 . 1 . . . . . . . . 5929 1 31 . 1 1 5 5 SER HB2 H 1 3.77 0.03 . 1 . . . . . . . . 5929 1 32 . 1 1 5 5 SER HB3 H 1 3.77 0.03 . 1 . . . . . . . . 5929 1 33 . 1 1 5 5 SER C C 13 171.6 0.3 . 1 . . . . . . . . 5929 1 34 . 1 1 6 6 SER N N 15 117.1 0.3 . 1 . . . . . . . . 5929 1 35 . 1 1 6 6 SER H H 1 8.27 0.03 . 1 . . . . . . . . 5929 1 36 . 1 1 6 6 SER CA C 13 55.3 0.3 . 1 . . . . . . . . 5929 1 37 . 1 1 6 6 SER HA H 1 4.91 0.03 . 1 . . . . . . . . 5929 1 38 . 1 1 6 6 SER CB C 13 62.1 0.3 . 1 . . . . . . . . 5929 1 39 . 1 1 6 6 SER HB2 H 1 3.71 0.03 . 2 . . . . . . . . 5929 1 40 . 1 1 6 6 SER HB3 H 1 3.67 0.03 . 2 . . . . . . . . 5929 1 41 . 1 1 6 6 SER C C 13 171.3 0.3 . 1 . . . . . . . . 5929 1 42 . 1 1 7 7 GLY N N 15 109.7 0.3 . 1 . . . . . . . . 5929 1 43 . 1 1 7 7 GLY H H 1 8.38 0.03 . 1 . . . . . . . . 5929 1 44 . 1 1 7 7 GLY CA C 13 42.3 0.3 . 1 . . . . . . . . 5929 1 45 . 1 1 7 7 GLY HA2 H 1 4.34 0.03 . 2 . . . . . . . . 5929 1 46 . 1 1 7 7 GLY HA3 H 1 3.98 0.03 . 2 . . . . . . . . 5929 1 47 . 1 1 7 7 GLY C C 13 170.2 0.3 . 1 . . . . . . . . 5929 1 48 . 1 1 8 8 SER N N 15 115.5 0.3 . 1 . . . . . . . . 5929 1 49 . 1 1 8 8 SER H H 1 8.56 0.03 . 1 . . . . . . . . 5929 1 50 . 1 1 8 8 SER CA C 13 54.8 0.3 . 1 . . . . . . . . 5929 1 51 . 1 1 8 8 SER HA H 1 4.57 0.03 . 1 . . . . . . . . 5929 1 52 . 1 1 8 8 SER CB C 13 62.7 0.3 . 1 . . . . . . . . 5929 1 53 . 1 1 8 8 SER HB2 H 1 4.37 0.03 . 2 . . . . . . . . 5929 1 54 . 1 1 8 8 SER HB3 H 1 3.95 0.03 . 2 . . . . . . . . 5929 1 55 . 1 1 8 8 SER C C 13 173.5 0.3 . 1 . . . . . . . . 5929 1 56 . 1 1 9 9 ALA N N 15 126.7 0.3 . 1 . . . . . . . . 5929 1 57 . 1 1 9 9 ALA H H 1 9.68 0.03 . 1 . . . . . . . . 5929 1 58 . 1 1 9 9 ALA CA C 13 53.0 0.3 . 1 . . . . . . . . 5929 1 59 . 1 1 9 9 ALA HA H 1 3.99 0.03 . 1 . . . . . . . . 5929 1 60 . 1 1 9 9 ALA HB1 H 1 1.15 0.03 . 1 . . . . . . . . 5929 1 61 . 1 1 9 9 ALA HB2 H 1 1.15 0.03 . 1 . . . . . . . . 5929 1 62 . 1 1 9 9 ALA HB3 H 1 1.15 0.03 . 1 . . . . . . . . 5929 1 63 . 1 1 9 9 ALA CB C 13 13.9 0.3 . 1 . . . . . . . . 5929 1 64 . 1 1 9 9 ALA C C 13 175.4 0.3 . 1 . . . . . . . . 5929 1 65 . 1 1 10 10 LYS N N 15 116.9 0.3 . 1 . . . . . . . . 5929 1 66 . 1 1 10 10 LYS H H 1 8.66 0.03 . 1 . . . . . . . . 5929 1 67 . 1 1 10 10 LYS CA C 13 57.6 0.3 . 1 . . . . . . . . 5929 1 68 . 1 1 10 10 LYS HA H 1 3.59 0.03 . 1 . . . . . . . . 5929 1 69 . 1 1 10 10 LYS CB C 13 29.6 0.3 . 1 . . . . . . . . 5929 1 70 . 1 1 10 10 LYS HB2 H 1 1.67 0.03 . 2 . . . . . . . . 5929 1 71 . 1 1 10 10 LYS HB3 H 1 1.60 0.03 . 2 . . . . . . . . 5929 1 72 . 1 1 10 10 LYS CG C 13 23.3 0.3 . 1 . . . . . . . . 5929 1 73 . 1 1 10 10 LYS HG2 H 1 1.41 0.03 . 2 . . . . . . . . 5929 1 74 . 1 1 10 10 LYS HG3 H 1 1.20 0.03 . 2 . . . . . . . . 5929 1 75 . 1 1 10 10 LYS CD C 13 26.5 0.3 . 1 . . . . . . . . 5929 1 76 . 1 1 10 10 LYS HD2 H 1 1.58 0.03 . 1 . . . . . . . . 5929 1 77 . 1 1 10 10 LYS HD3 H 1 1.58 0.03 . 1 . . . . . . . . 5929 1 78 . 1 1 10 10 LYS CE C 13 39.4 0.3 . 1 . . . . . . . . 5929 1 79 . 1 1 10 10 LYS HE2 H 1 2.84 0.03 . 1 . . . . . . . . 5929 1 80 . 1 1 10 10 LYS HE3 H 1 2.84 0.03 . 1 . . . . . . . . 5929 1 81 . 1 1 10 10 LYS C C 13 176.2 0.3 . 1 . . . . . . . . 5929 1 82 . 1 1 11 11 ASN N N 15 119.0 0.3 . 1 . . . . . . . . 5929 1 83 . 1 1 11 11 ASN H H 1 8.05 0.03 . 1 . . . . . . . . 5929 1 84 . 1 1 11 11 ASN CA C 13 53.7 0.3 . 1 . . . . . . . . 5929 1 85 . 1 1 11 11 ASN HA H 1 4.21 0.03 . 1 . . . . . . . . 5929 1 86 . 1 1 11 11 ASN CB C 13 36.1 0.3 . 1 . . . . . . . . 5929 1 87 . 1 1 11 11 ASN HB2 H 1 2.67 0.03 . 1 . . . . . . . . 5929 1 88 . 1 1 11 11 ASN HB3 H 1 2.67 0.03 . 1 . . . . . . . . 5929 1 89 . 1 1 11 11 ASN ND2 N 15 113.8 0.3 . 1 . . . . . . . . 5929 1 90 . 1 1 11 11 ASN HD21 H 1 7.69 0.03 . 2 . . . . . . . . 5929 1 91 . 1 1 11 11 ASN HD22 H 1 6.86 0.03 . 2 . . . . . . . . 5929 1 92 . 1 1 11 11 ASN C C 13 173.8 0.3 . 1 . . . . . . . . 5929 1 93 . 1 1 12 12 ALA N N 15 122.0 0.3 . 1 . . . . . . . . 5929 1 94 . 1 1 12 12 ALA H H 1 7.90 0.03 . 1 . . . . . . . . 5929 1 95 . 1 1 12 12 ALA CA C 13 52.2 0.3 . 1 . . . . . . . . 5929 1 96 . 1 1 12 12 ALA HA H 1 3.10 0.03 . 1 . . . . . . . . 5929 1 97 . 1 1 12 12 ALA HB1 H 1 1.31 0.03 . 1 . . . . . . . . 5929 1 98 . 1 1 12 12 ALA HB2 H 1 1.31 0.03 . 1 . . . . . . . . 5929 1 99 . 1 1 12 12 ALA HB3 H 1 1.31 0.03 . 1 . . . . . . . . 5929 1 100 . 1 1 12 12 ALA CB C 13 15.6 0.3 . 1 . . . . . . . . 5929 1 101 . 1 1 12 12 ALA C C 13 175.2 0.3 . 1 . . . . . . . . 5929 1 102 . 1 1 13 13 TYR N N 15 117.5 0.3 . 1 . . . . . . . . 5929 1 103 . 1 1 13 13 TYR H H 1 8.19 0.03 . 1 . . . . . . . . 5929 1 104 . 1 1 13 13 TYR CA C 13 60.1 0.3 . 1 . . . . . . . . 5929 1 105 . 1 1 13 13 TYR HA H 1 3.62 0.03 . 1 . . . . . . . . 5929 1 106 . 1 1 13 13 TYR CB C 13 36.2 0.3 . 1 . . . . . . . . 5929 1 107 . 1 1 13 13 TYR HB2 H 1 2.70 0.03 . 2 . . . . . . . . 5929 1 108 . 1 1 13 13 TYR HB3 H 1 2.36 0.03 . 2 . . . . . . . . 5929 1 109 . 1 1 13 13 TYR HD1 H 1 6.88 0.03 . 1 . . . . . . . . 5929 1 110 . 1 1 13 13 TYR HD2 H 1 6.88 0.03 . 1 . . . . . . . . 5929 1 111 . 1 1 13 13 TYR HE1 H 1 6.75 0.03 . 1 . . . . . . . . 5929 1 112 . 1 1 13 13 TYR HE2 H 1 6.75 0.03 . 1 . . . . . . . . 5929 1 113 . 1 1 13 13 TYR CD1 C 13 130.5 0.3 . 1 . . . . . . . . 5929 1 114 . 1 1 13 13 TYR CE1 C 13 115.2 0.3 . 1 . . . . . . . . 5929 1 115 . 1 1 13 13 TYR C C 13 174.6 0.3 . 1 . . . . . . . . 5929 1 116 . 1 1 14 14 THR N N 15 114.2 0.3 . 1 . . . . . . . . 5929 1 117 . 1 1 14 14 THR H H 1 7.79 0.03 . 1 . . . . . . . . 5929 1 118 . 1 1 14 14 THR CA C 13 63.6 0.3 . 1 . . . . . . . . 5929 1 119 . 1 1 14 14 THR HA H 1 3.75 0.03 . 1 . . . . . . . . 5929 1 120 . 1 1 14 14 THR CB C 13 66.0 0.3 . 1 . . . . . . . . 5929 1 121 . 1 1 14 14 THR HB H 1 4.16 0.03 . 1 . . . . . . . . 5929 1 122 . 1 1 14 14 THR HG21 H 1 1.07 0.03 . 1 . . . . . . . . 5929 1 123 . 1 1 14 14 THR HG22 H 1 1.07 0.03 . 1 . . . . . . . . 5929 1 124 . 1 1 14 14 THR HG23 H 1 1.07 0.03 . 1 . . . . . . . . 5929 1 125 . 1 1 14 14 THR CG2 C 13 18.8 0.3 . 1 . . . . . . . . 5929 1 126 . 1 1 14 14 THR C C 13 175.1 0.3 . 1 . . . . . . . . 5929 1 127 . 1 1 15 15 LYS N N 15 123.0 0.3 . 1 . . . . . . . . 5929 1 128 . 1 1 15 15 LYS H H 1 8.08 0.03 . 1 . . . . . . . . 5929 1 129 . 1 1 15 15 LYS CA C 13 55.1 0.3 . 1 . . . . . . . . 5929 1 130 . 1 1 15 15 LYS HA H 1 3.91 0.03 . 1 . . . . . . . . 5929 1 131 . 1 1 15 15 LYS CB C 13 28.7 0.3 . 1 . . . . . . . . 5929 1 132 . 1 1 15 15 LYS HB2 H 1 1.44 0.03 . 1 . . . . . . . . 5929 1 133 . 1 1 15 15 LYS HB3 H 1 1.44 0.03 . 1 . . . . . . . . 5929 1 134 . 1 1 15 15 LYS CG C 13 21.7 0.3 . 1 . . . . . . . . 5929 1 135 . 1 1 15 15 LYS HG2 H 1 1.31 0.03 . 1 . . . . . . . . 5929 1 136 . 1 1 15 15 LYS HG3 H 1 1.31 0.03 . 1 . . . . . . . . 5929 1 137 . 1 1 15 15 LYS CD C 13 24.9 0.3 . 1 . . . . . . . . 5929 1 138 . 1 1 15 15 LYS HD2 H 1 1.46 0.03 . 1 . . . . . . . . 5929 1 139 . 1 1 15 15 LYS HD3 H 1 1.46 0.03 . 1 . . . . . . . . 5929 1 140 . 1 1 15 15 LYS CE C 13 39.5 0.3 . 1 . . . . . . . . 5929 1 141 . 1 1 15 15 LYS HE2 H 1 2.83 0.03 . 2 . . . . . . . . 5929 1 142 . 1 1 15 15 LYS HE3 H 1 2.79 0.03 . 2 . . . . . . . . 5929 1 143 . 1 1 15 15 LYS C C 13 176.3 0.3 . 1 . . . . . . . . 5929 1 144 . 1 1 16 16 LEU N N 15 118.6 0.3 . 1 . . . . . . . . 5929 1 145 . 1 1 16 16 LEU H H 1 8.46 0.03 . 1 . . . . . . . . 5929 1 146 . 1 1 16 16 LEU CA C 13 55.0 0.3 . 1 . . . . . . . . 5929 1 147 . 1 1 16 16 LEU HA H 1 3.63 0.03 . 1 . . . . . . . . 5929 1 148 . 1 1 16 16 LEU CB C 13 39.5 0.3 . 1 . . . . . . . . 5929 1 149 . 1 1 16 16 LEU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 5929 1 150 . 1 1 16 16 LEU HB3 H 1 0.82 0.03 . 2 . . . . . . . . 5929 1 151 . 1 1 16 16 LEU CG C 13 24.4 0.3 . 1 . . . . . . . . 5929 1 152 . 1 1 16 16 LEU HG H 1 1.33 0.03 . 1 . . . . . . . . 5929 1 153 . 1 1 16 16 LEU HD11 H 1 0.78 0.03 . 2 . . . . . . . . 5929 1 154 . 1 1 16 16 LEU HD12 H 1 0.78 0.03 . 2 . . . . . . . . 5929 1 155 . 1 1 16 16 LEU HD13 H 1 0.78 0.03 . 2 . . . . . . . . 5929 1 156 . 1 1 16 16 LEU HD21 H 1 0.57 0.03 . 2 . . . . . . . . 5929 1 157 . 1 1 16 16 LEU HD22 H 1 0.57 0.03 . 2 . . . . . . . . 5929 1 158 . 1 1 16 16 LEU HD23 H 1 0.57 0.03 . 2 . . . . . . . . 5929 1 159 . 1 1 16 16 LEU CD1 C 13 24.1 0.3 . 1 . . . . . . . . 5929 1 160 . 1 1 16 16 LEU CD2 C 13 20.8 0.3 . 1 . . . . . . . . 5929 1 161 . 1 1 16 16 LEU C C 13 175.8 0.3 . 1 . . . . . . . . 5929 1 162 . 1 1 17 17 GLY N N 15 103.3 0.3 . 1 . . . . . . . . 5929 1 163 . 1 1 17 17 GLY H H 1 7.33 0.03 . 1 . . . . . . . . 5929 1 164 . 1 1 17 17 GLY CA C 13 43.5 0.3 . 1 . . . . . . . . 5929 1 165 . 1 1 17 17 GLY HA2 H 1 4.08 0.03 . 2 . . . . . . . . 5929 1 166 . 1 1 17 17 GLY HA3 H 1 3.69 0.03 . 2 . . . . . . . . 5929 1 167 . 1 1 17 17 GLY C C 13 172.1 0.3 . 1 . . . . . . . . 5929 1 168 . 1 1 18 18 THR N N 15 110.4 0.3 . 1 . . . . . . . . 5929 1 169 . 1 1 18 18 THR H H 1 7.62 0.03 . 1 . . . . . . . . 5929 1 170 . 1 1 18 18 THR CA C 13 60.1 0.3 . 1 . . . . . . . . 5929 1 171 . 1 1 18 18 THR HA H 1 4.32 0.03 . 1 . . . . . . . . 5929 1 172 . 1 1 18 18 THR CB C 13 67.7 0.3 . 1 . . . . . . . . 5929 1 173 . 1 1 18 18 THR HB H 1 4.17 0.03 . 1 . . . . . . . . 5929 1 174 . 1 1 18 18 THR HG21 H 1 1.10 0.03 . 1 . . . . . . . . 5929 1 175 . 1 1 18 18 THR HG22 H 1 1.10 0.03 . 1 . . . . . . . . 5929 1 176 . 1 1 18 18 THR HG23 H 1 1.10 0.03 . 1 . . . . . . . . 5929 1 177 . 1 1 18 18 THR CG2 C 13 18.9 0.3 . 1 . . . . . . . . 5929 1 178 . 1 1 18 18 THR C C 13 171.5 0.3 . 1 . . . . . . . . 5929 1 179 . 1 1 19 19 ASP N N 15 123.2 0.3 . 1 . . . . . . . . 5929 1 180 . 1 1 19 19 ASP H H 1 8.21 0.03 . 1 . . . . . . . . 5929 1 181 . 1 1 19 19 ASP CA C 13 50.0 0.3 . 1 . . . . . . . . 5929 1 182 . 1 1 19 19 ASP HA H 1 4.83 0.03 . 1 . . . . . . . . 5929 1 183 . 1 1 19 19 ASP CB C 13 38.3 0.3 . 1 . . . . . . . . 5929 1 184 . 1 1 19 19 ASP HB2 H 1 2.89 0.03 . 2 . . . . . . . . 5929 1 185 . 1 1 19 19 ASP HB3 H 1 2.57 0.03 . 2 . . . . . . . . 5929 1 186 . 1 1 19 19 ASP C C 13 174.5 0.3 . 1 . . . . . . . . 5929 1 187 . 1 1 20 20 ASP N N 15 128.5 0.3 . 1 . . . . . . . . 5929 1 188 . 1 1 20 20 ASP H H 1 9.10 0.03 . 1 . . . . . . . . 5929 1 189 . 1 1 20 20 ASP CA C 13 54.7 0.3 . 1 . . . . . . . . 5929 1 190 . 1 1 20 20 ASP HA H 1 4.24 0.03 . 1 . . . . . . . . 5929 1 191 . 1 1 20 20 ASP CB C 13 38.1 0.3 . 1 . . . . . . . . 5929 1 192 . 1 1 20 20 ASP HB2 H 1 2.65 0.03 . 2 . . . . . . . . 5929 1 193 . 1 1 20 20 ASP HB3 H 1 2.53 0.03 . 2 . . . . . . . . 5929 1 194 . 1 1 20 20 ASP C C 13 173.7 0.3 . 1 . . . . . . . . 5929 1 195 . 1 1 21 21 ASN N N 15 114.2 0.3 . 1 . . . . . . . . 5929 1 196 . 1 1 21 21 ASN H H 1 8.48 0.03 . 1 . . . . . . . . 5929 1 197 . 1 1 21 21 ASN CA C 13 50.5 0.3 . 1 . . . . . . . . 5929 1 198 . 1 1 21 21 ASN HA H 1 4.92 0.03 . 1 . . . . . . . . 5929 1 199 . 1 1 21 21 ASN CB C 13 36.8 0.3 . 1 . . . . . . . . 5929 1 200 . 1 1 21 21 ASN HB2 H 1 3.40 0.03 . 2 . . . . . . . . 5929 1 201 . 1 1 21 21 ASN HB3 H 1 2.78 0.03 . 2 . . . . . . . . 5929 1 202 . 1 1 21 21 ASN ND2 N 15 113.6 0.3 . 1 . . . . . . . . 5929 1 203 . 1 1 21 21 ASN HD21 H 1 7.55 0.03 . 2 . . . . . . . . 5929 1 204 . 1 1 21 21 ASN HD22 H 1 6.95 0.03 . 2 . . . . . . . . 5929 1 205 . 1 1 21 21 ASN C C 13 171.7 0.3 . 1 . . . . . . . . 5929 1 206 . 1 1 22 22 ALA N N 15 122.4 0.3 . 1 . . . . . . . . 5929 1 207 . 1 1 22 22 ALA H H 1 7.33 0.03 . 1 . . . . . . . . 5929 1 208 . 1 1 22 22 ALA CA C 13 48.2 0.3 . 1 . . . . . . . . 5929 1 209 . 1 1 22 22 ALA HA H 1 5.31 0.03 . 1 . . . . . . . . 5929 1 210 . 1 1 22 22 ALA HB1 H 1 1.45 0.03 . 1 . . . . . . . . 5929 1 211 . 1 1 22 22 ALA HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5929 1 212 . 1 1 22 22 ALA HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5929 1 213 . 1 1 22 22 ALA CB C 13 17.7 0.3 . 1 . . . . . . . . 5929 1 214 . 1 1 22 22 ALA C C 13 174.5 0.3 . 1 . . . . . . . . 5929 1 215 . 1 1 23 23 GLN N N 15 120.0 0.3 . 1 . . . . . . . . 5929 1 216 . 1 1 23 23 GLN H H 1 9.03 0.03 . 1 . . . . . . . . 5929 1 217 . 1 1 23 23 GLN CA C 13 50.4 0.3 . 1 . . . . . . . . 5929 1 218 . 1 1 23 23 GLN HA H 1 4.68 0.03 . 1 . . . . . . . . 5929 1 219 . 1 1 23 23 GLN CB C 13 28.3 0.3 . 1 . . . . . . . . 5929 1 220 . 1 1 23 23 GLN HB2 H 1 2.46 0.03 . 2 . . . . . . . . 5929 1 221 . 1 1 23 23 GLN HB3 H 1 1.33 0.03 . 2 . . . . . . . . 5929 1 222 . 1 1 23 23 GLN CG C 13 29.2 0.3 . 1 . . . . . . . . 5929 1 223 . 1 1 23 23 GLN HG2 H 1 2.50 0.03 . 2 . . . . . . . . 5929 1 224 . 1 1 23 23 GLN HG3 H 1 2.34 0.03 . 2 . . . . . . . . 5929 1 225 . 1 1 23 23 GLN NE2 N 15 109.6 0.3 . 1 . . . . . . . . 5929 1 226 . 1 1 23 23 GLN HE21 H 1 7.21 0.03 . 2 . . . . . . . . 5929 1 227 . 1 1 23 23 GLN HE22 H 1 6.90 0.03 . 2 . . . . . . . . 5929 1 228 . 1 1 23 23 GLN C C 13 170.4 0.3 . 1 . . . . . . . . 5929 1 229 . 1 1 24 24 LEU N N 15 125.5 0.3 . 1 . . . . . . . . 5929 1 230 . 1 1 24 24 LEU H H 1 9.62 0.03 . 1 . . . . . . . . 5929 1 231 . 1 1 24 24 LEU CA C 13 51.2 0.3 . 1 . . . . . . . . 5929 1 232 . 1 1 24 24 LEU HA H 1 5.16 0.03 . 1 . . . . . . . . 5929 1 233 . 1 1 24 24 LEU CB C 13 42.5 0.3 . 1 . . . . . . . . 5929 1 234 . 1 1 24 24 LEU HB2 H 1 1.73 0.03 . 2 . . . . . . . . 5929 1 235 . 1 1 24 24 LEU HB3 H 1 1.31 0.03 . 2 . . . . . . . . 5929 1 236 . 1 1 24 24 LEU CG C 13 25.3 0.3 . 1 . . . . . . . . 5929 1 237 . 1 1 24 24 LEU HG H 1 1.39 0.03 . 1 . . . . . . . . 5929 1 238 . 1 1 24 24 LEU HD11 H 1 0.56 0.03 . 2 . . . . . . . . 5929 1 239 . 1 1 24 24 LEU HD12 H 1 0.56 0.03 . 2 . . . . . . . . 5929 1 240 . 1 1 24 24 LEU HD13 H 1 0.56 0.03 . 2 . . . . . . . . 5929 1 241 . 1 1 24 24 LEU HD21 H 1 0.77 0.03 . 2 . . . . . . . . 5929 1 242 . 1 1 24 24 LEU HD22 H 1 0.77 0.03 . 2 . . . . . . . . 5929 1 243 . 1 1 24 24 LEU HD23 H 1 0.77 0.03 . 2 . . . . . . . . 5929 1 244 . 1 1 24 24 LEU CD1 C 13 24.1 0.3 . 1 . . . . . . . . 5929 1 245 . 1 1 24 24 LEU CD2 C 13 22.5 0.3 . 1 . . . . . . . . 5929 1 246 . 1 1 24 24 LEU C C 13 170.6 0.3 . 1 . . . . . . . . 5929 1 247 . 1 1 25 25 LEU N N 15 128.4 0.3 . 1 . . . . . . . . 5929 1 248 . 1 1 25 25 LEU H H 1 9.20 0.03 . 1 . . . . . . . . 5929 1 249 . 1 1 25 25 LEU CA C 13 50.2 0.3 . 1 . . . . . . . . 5929 1 250 . 1 1 25 25 LEU HA H 1 5.25 0.03 . 1 . . . . . . . . 5929 1 251 . 1 1 25 25 LEU CB C 13 42.4 0.3 . 1 . . . . . . . . 5929 1 252 . 1 1 25 25 LEU HB2 H 1 1.85 0.03 . 2 . . . . . . . . 5929 1 253 . 1 1 25 25 LEU HB3 H 1 1.01 0.03 . 2 . . . . . . . . 5929 1 254 . 1 1 25 25 LEU CG C 13 25.0 0.3 . 1 . . . . . . . . 5929 1 255 . 1 1 25 25 LEU HG H 1 1.53 0.03 . 1 . . . . . . . . 5929 1 256 . 1 1 25 25 LEU HD11 H 1 0.74 0.03 . 2 . . . . . . . . 5929 1 257 . 1 1 25 25 LEU HD12 H 1 0.74 0.03 . 2 . . . . . . . . 5929 1 258 . 1 1 25 25 LEU HD13 H 1 0.74 0.03 . 2 . . . . . . . . 5929 1 259 . 1 1 25 25 LEU HD21 H 1 0.93 0.03 . 2 . . . . . . . . 5929 1 260 . 1 1 25 25 LEU HD22 H 1 0.93 0.03 . 2 . . . . . . . . 5929 1 261 . 1 1 25 25 LEU HD23 H 1 0.93 0.03 . 2 . . . . . . . . 5929 1 262 . 1 1 25 25 LEU CD1 C 13 24.2 0.3 . 1 . . . . . . . . 5929 1 263 . 1 1 25 25 LEU CD2 C 13 21.0 0.3 . 1 . . . . . . . . 5929 1 264 . 1 1 25 25 LEU C C 13 169.9 0.3 . 1 . . . . . . . . 5929 1 265 . 1 1 26 26 ASP N N 15 129.0 0.3 . 1 . . . . . . . . 5929 1 266 . 1 1 26 26 ASP H H 1 9.34 0.03 . 1 . . . . . . . . 5929 1 267 . 1 1 26 26 ASP CA C 13 49.7 0.3 . 1 . . . . . . . . 5929 1 268 . 1 1 26 26 ASP HA H 1 5.18 0.03 . 1 . . . . . . . . 5929 1 269 . 1 1 26 26 ASP CB C 13 39.7 0.3 . 1 . . . . . . . . 5929 1 270 . 1 1 26 26 ASP HB2 H 1 2.98 0.03 . 2 . . . . . . . . 5929 1 271 . 1 1 26 26 ASP HB3 H 1 1.97 0.03 . 2 . . . . . . . . 5929 1 272 . 1 1 26 26 ASP C C 13 175.7 0.3 . 1 . . . . . . . . 5929 1 273 . 1 1 27 27 ILE N N 15 119.5 0.3 . 1 . . . . . . . . 5929 1 274 . 1 1 27 27 ILE H H 1 8.65 0.03 . 1 . . . . . . . . 5929 1 275 . 1 1 27 27 ILE CA C 13 58.0 0.3 . 1 . . . . . . . . 5929 1 276 . 1 1 27 27 ILE HA H 1 5.47 0.03 . 1 . . . . . . . . 5929 1 277 . 1 1 27 27 ILE CB C 13 35.8 0.3 . 1 . . . . . . . . 5929 1 278 . 1 1 27 27 ILE HB H 1 2.43 0.03 . 1 . . . . . . . . 5929 1 279 . 1 1 27 27 ILE HG21 H 1 1.03 0.03 . 1 . . . . . . . . 5929 1 280 . 1 1 27 27 ILE HG22 H 1 1.03 0.03 . 1 . . . . . . . . 5929 1 281 . 1 1 27 27 ILE HG23 H 1 1.03 0.03 . 1 . . . . . . . . 5929 1 282 . 1 1 27 27 ILE CG2 C 13 15.1 0.3 . 1 . . . . . . . . 5929 1 283 . 1 1 27 27 ILE CG1 C 13 22.8 0.3 . 1 . . . . . . . . 5929 1 284 . 1 1 27 27 ILE HG12 H 1 1.18 0.03 . 2 . . . . . . . . 5929 1 285 . 1 1 27 27 ILE HG13 H 1 0.99 0.03 . 2 . . . . . . . . 5929 1 286 . 1 1 27 27 ILE HD11 H 1 0.55 0.03 . 1 . . . . . . . . 5929 1 287 . 1 1 27 27 ILE HD12 H 1 0.55 0.03 . 1 . . . . . . . . 5929 1 288 . 1 1 27 27 ILE HD13 H 1 0.55 0.03 . 1 . . . . . . . . 5929 1 289 . 1 1 27 27 ILE CD1 C 13 12.1 0.3 . 1 . . . . . . . . 5929 1 290 . 1 1 27 27 ILE C C 13 173.7 0.3 . 1 . . . . . . . . 5929 1 291 . 1 1 28 28 ARG N N 15 121.3 0.3 . 1 . . . . . . . . 5929 1 292 . 1 1 28 28 ARG H H 1 7.76 0.03 . 1 . . . . . . . . 5929 1 293 . 1 1 28 28 ARG CA C 13 54.5 0.3 . 1 . . . . . . . . 5929 1 294 . 1 1 28 28 ARG HA H 1 4.17 0.03 . 1 . . . . . . . . 5929 1 295 . 1 1 28 28 ARG CB C 13 28.4 0.3 . 1 . . . . . . . . 5929 1 296 . 1 1 28 28 ARG HB2 H 1 1.86 0.03 . 2 . . . . . . . . 5929 1 297 . 1 1 28 28 ARG HB3 H 1 1.83 0.03 . 2 . . . . . . . . 5929 1 298 . 1 1 28 28 ARG CG C 13 25.5 0.3 . 1 . . . . . . . . 5929 1 299 . 1 1 28 28 ARG HG2 H 1 2.11 0.03 . 2 . . . . . . . . 5929 1 300 . 1 1 28 28 ARG HG3 H 1 1.68 0.03 . 2 . . . . . . . . 5929 1 301 . 1 1 28 28 ARG CD C 13 41.1 0.3 . 1 . . . . . . . . 5929 1 302 . 1 1 28 28 ARG HD2 H 1 3.40 0.03 . 2 . . . . . . . . 5929 1 303 . 1 1 28 28 ARG HD3 H 1 2.79 0.03 . 2 . . . . . . . . 5929 1 304 . 1 1 28 28 ARG NE N 15 117.2 0.3 . 1 . . . . . . . . 5929 1 305 . 1 1 28 28 ARG HE H 1 9.18 0.03 . 1 . . . . . . . . 5929 1 306 . 1 1 28 28 ARG NH1 N 15 73.6 0.3 . 1 . . . . . . . . 5929 1 307 . 1 1 28 28 ARG HH11 H 1 5.89 0.03 . 1 . . . . . . . . 5929 1 308 . 1 1 28 28 ARG HH12 H 1 5.89 0.03 . 1 . . . . . . . . 5929 1 309 . 1 1 28 28 ARG NH2 N 15 73.6 0.3 . 1 . . . . . . . . 5929 1 310 . 1 1 28 28 ARG HH21 H 1 9.21 0.03 . 1 . . . . . . . . 5929 1 311 . 1 1 28 28 ARG HH22 H 1 9.21 0.03 . 1 . . . . . . . . 5929 1 312 . 1 1 28 28 ARG C C 13 172.3 0.3 . 1 . . . . . . . . 5929 1 313 . 1 1 29 29 ALA N N 15 120.0 0.3 . 1 . . . . . . . . 5929 1 314 . 1 1 29 29 ALA H H 1 8.44 0.03 . 1 . . . . . . . . 5929 1 315 . 1 1 29 29 ALA CA C 13 49.5 0.3 . 1 . . . . . . . . 5929 1 316 . 1 1 29 29 ALA HA H 1 4.20 0.03 . 1 . . . . . . . . 5929 1 317 . 1 1 29 29 ALA HB1 H 1 1.45 0.03 . 1 . . . . . . . . 5929 1 318 . 1 1 29 29 ALA HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5929 1 319 . 1 1 29 29 ALA HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5929 1 320 . 1 1 29 29 ALA CB C 13 16.4 0.3 . 1 . . . . . . . . 5929 1 321 . 1 1 29 29 ALA C C 13 176.3 0.3 . 1 . . . . . . . . 5929 1 322 . 1 1 30 30 THR N N 15 116.1 0.3 . 1 . . . . . . . . 5929 1 323 . 1 1 30 30 THR H H 1 8.18 0.03 . 1 . . . . . . . . 5929 1 324 . 1 1 30 30 THR CA C 13 63.2 0.3 . 1 . . . . . . . . 5929 1 325 . 1 1 30 30 THR HA H 1 3.62 0.03 . 1 . . . . . . . . 5929 1 326 . 1 1 30 30 THR CB C 13 65.8 0.3 . 1 . . . . . . . . 5929 1 327 . 1 1 30 30 THR HB H 1 3.94 0.03 . 1 . . . . . . . . 5929 1 328 . 1 1 30 30 THR HG21 H 1 1.11 0.03 . 1 . . . . . . . . 5929 1 329 . 1 1 30 30 THR HG22 H 1 1.11 0.03 . 1 . . . . . . . . 5929 1 330 . 1 1 30 30 THR HG23 H 1 1.11 0.03 . 1 . . . . . . . . 5929 1 331 . 1 1 30 30 THR CG2 C 13 19.5 0.3 . 1 . . . . . . . . 5929 1 332 . 1 1 30 30 THR C C 13 175.0 0.3 . 1 . . . . . . . . 5929 1 333 . 1 1 31 31 ALA N N 15 122.3 0.3 . 1 . . . . . . . . 5929 1 334 . 1 1 31 31 ALA H H 1 8.66 0.03 . 1 . . . . . . . . 5929 1 335 . 1 1 31 31 ALA CA C 13 52.7 0.3 . 1 . . . . . . . . 5929 1 336 . 1 1 31 31 ALA HA H 1 3.99 0.03 . 1 . . . . . . . . 5929 1 337 . 1 1 31 31 ALA HB1 H 1 1.34 0.03 . 1 . . . . . . . . 5929 1 338 . 1 1 31 31 ALA HB2 H 1 1.34 0.03 . 1 . . . . . . . . 5929 1 339 . 1 1 31 31 ALA HB3 H 1 1.34 0.03 . 1 . . . . . . . . 5929 1 340 . 1 1 31 31 ALA CB C 13 15.8 0.3 . 1 . . . . . . . . 5929 1 341 . 1 1 31 31 ALA C C 13 177.0 0.3 . 1 . . . . . . . . 5929 1 342 . 1 1 32 32 ASP N N 15 117.1 0.3 . 1 . . . . . . . . 5929 1 343 . 1 1 32 32 ASP H H 1 7.67 0.03 . 1 . . . . . . . . 5929 1 344 . 1 1 32 32 ASP CA C 13 54.6 0.3 . 1 . . . . . . . . 5929 1 345 . 1 1 32 32 ASP HA H 1 4.37 0.03 . 1 . . . . . . . . 5929 1 346 . 1 1 32 32 ASP CB C 13 37.3 0.3 . 1 . . . . . . . . 5929 1 347 . 1 1 32 32 ASP HB2 H 1 2.88 0.03 . 2 . . . . . . . . 5929 1 348 . 1 1 32 32 ASP HB3 H 1 2.62 0.03 . 2 . . . . . . . . 5929 1 349 . 1 1 32 32 ASP C C 13 176.9 0.3 . 1 . . . . . . . . 5929 1 350 . 1 1 33 33 PHE N N 15 121.4 0.3 . 1 . . . . . . . . 5929 1 351 . 1 1 33 33 PHE H H 1 7.83 0.03 . 1 . . . . . . . . 5929 1 352 . 1 1 33 33 PHE CA C 13 58.1 0.3 . 1 . . . . . . . . 5929 1 353 . 1 1 33 33 PHE HA H 1 4.26 0.03 . 1 . . . . . . . . 5929 1 354 . 1 1 33 33 PHE CB C 13 35.2 0.3 . 1 . . . . . . . . 5929 1 355 . 1 1 33 33 PHE HB2 H 1 3.22 0.03 . 2 . . . . . . . . 5929 1 356 . 1 1 33 33 PHE HB3 H 1 2.90 0.03 . 2 . . . . . . . . 5929 1 357 . 1 1 33 33 PHE HD1 H 1 7.09 0.03 . 1 . . . . . . . . 5929 1 358 . 1 1 33 33 PHE HD2 H 1 7.09 0.03 . 1 . . . . . . . . 5929 1 359 . 1 1 33 33 PHE HE1 H 1 7.16 0.03 . 1 . . . . . . . . 5929 1 360 . 1 1 33 33 PHE HE2 H 1 7.16 0.03 . 1 . . . . . . . . 5929 1 361 . 1 1 33 33 PHE CD1 C 13 128.4 0.3 . 1 . . . . . . . . 5929 1 362 . 1 1 33 33 PHE CE1 C 13 129.0 0.3 . 1 . . . . . . . . 5929 1 363 . 1 1 33 33 PHE C C 13 175.2 0.3 . 1 . . . . . . . . 5929 1 364 . 1 1 34 34 ARG N N 15 115.8 0.3 . 1 . . . . . . . . 5929 1 365 . 1 1 34 34 ARG H H 1 7.26 0.03 . 1 . . . . . . . . 5929 1 366 . 1 1 34 34 ARG CA C 13 55.0 0.3 . 1 . . . . . . . . 5929 1 367 . 1 1 34 34 ARG HA H 1 4.16 0.03 . 1 . . . . . . . . 5929 1 368 . 1 1 34 34 ARG CB C 13 28.2 0.3 . 1 . . . . . . . . 5929 1 369 . 1 1 34 34 ARG HB2 H 1 1.87 0.03 . 1 . . . . . . . . 5929 1 370 . 1 1 34 34 ARG HB3 H 1 1.87 0.03 . 1 . . . . . . . . 5929 1 371 . 1 1 34 34 ARG CG C 13 25.0 0.3 . 1 . . . . . . . . 5929 1 372 . 1 1 34 34 ARG HG2 H 1 1.67 0.03 . 2 . . . . . . . . 5929 1 373 . 1 1 34 34 ARG HG3 H 1 1.57 0.03 . 2 . . . . . . . . 5929 1 374 . 1 1 34 34 ARG CD C 13 40.5 0.3 . 1 . . . . . . . . 5929 1 375 . 1 1 34 34 ARG HD2 H 1 3.14 0.03 . 1 . . . . . . . . 5929 1 376 . 1 1 34 34 ARG HD3 H 1 3.14 0.03 . 1 . . . . . . . . 5929 1 377 . 1 1 34 34 ARG C C 13 174.2 0.3 . 1 . . . . . . . . 5929 1 378 . 1 1 35 35 GLN N N 15 114.3 0.3 . 1 . . . . . . . . 5929 1 379 . 1 1 35 35 GLN H H 1 7.83 0.03 . 1 . . . . . . . . 5929 1 380 . 1 1 35 35 GLN CA C 13 54.6 0.3 . 1 . . . . . . . . 5929 1 381 . 1 1 35 35 GLN HA H 1 4.32 0.03 . 1 . . . . . . . . 5929 1 382 . 1 1 35 35 GLN CB C 13 27.9 0.3 . 1 . . . . . . . . 5929 1 383 . 1 1 35 35 GLN HB2 H 1 2.07 0.03 . 1 . . . . . . . . 5929 1 384 . 1 1 35 35 GLN HB3 H 1 2.07 0.03 . 1 . . . . . . . . 5929 1 385 . 1 1 35 35 GLN CG C 13 31.5 0.3 . 1 . . . . . . . . 5929 1 386 . 1 1 35 35 GLN HG2 H 1 2.42 0.03 . 2 . . . . . . . . 5929 1 387 . 1 1 35 35 GLN HG3 H 1 2.33 0.03 . 2 . . . . . . . . 5929 1 388 . 1 1 35 35 GLN NE2 N 15 111.2 0.3 . 1 . . . . . . . . 5929 1 389 . 1 1 35 35 GLN HE21 H 1 7.34 0.03 . 2 . . . . . . . . 5929 1 390 . 1 1 35 35 GLN HE22 H 1 6.77 0.03 . 2 . . . . . . . . 5929 1 391 . 1 1 35 35 GLN C C 13 173.5 0.3 . 1 . . . . . . . . 5929 1 392 . 1 1 36 36 VAL N N 15 117.7 0.3 . 1 . . . . . . . . 5929 1 393 . 1 1 36 36 VAL H H 1 8.35 0.03 . 1 . . . . . . . . 5929 1 394 . 1 1 36 36 VAL CA C 13 60.8 0.3 . 1 . . . . . . . . 5929 1 395 . 1 1 36 36 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . 5929 1 396 . 1 1 36 36 VAL CB C 13 31.8 0.3 . 1 . . . . . . . . 5929 1 397 . 1 1 36 36 VAL HB H 1 2.08 0.03 . 1 . . . . . . . . 5929 1 398 . 1 1 36 36 VAL HG11 H 1 0.85 0.03 . 2 . . . . . . . . 5929 1 399 . 1 1 36 36 VAL HG12 H 1 0.85 0.03 . 2 . . . . . . . . 5929 1 400 . 1 1 36 36 VAL HG13 H 1 0.85 0.03 . 2 . . . . . . . . 5929 1 401 . 1 1 36 36 VAL HG21 H 1 0.87 0.03 . 2 . . . . . . . . 5929 1 402 . 1 1 36 36 VAL HG22 H 1 0.87 0.03 . 2 . . . . . . . . 5929 1 403 . 1 1 36 36 VAL HG23 H 1 0.87 0.03 . 2 . . . . . . . . 5929 1 404 . 1 1 36 36 VAL CG1 C 13 18.1 0.3 . 1 . . . . . . . . 5929 1 405 . 1 1 36 36 VAL CG2 C 13 17.9 0.3 . 1 . . . . . . . . 5929 1 406 . 1 1 36 36 VAL C C 13 174.1 0.3 . 1 . . . . . . . . 5929 1 407 . 1 1 37 37 GLY N N 15 109.5 0.3 . 1 . . . . . . . . 5929 1 408 . 1 1 37 37 GLY H H 1 8.24 0.03 . 1 . . . . . . . . 5929 1 409 . 1 1 37 37 GLY CA C 13 41.2 0.3 . 1 . . . . . . . . 5929 1 410 . 1 1 37 37 GLY HA2 H 1 5.13 0.03 . 2 . . . . . . . . 5929 1 411 . 1 1 37 37 GLY HA3 H 1 3.58 0.03 . 2 . . . . . . . . 5929 1 412 . 1 1 37 37 GLY C C 13 170.1 0.3 . 1 . . . . . . . . 5929 1 413 . 1 1 38 38 SER N N 15 115.6 0.3 . 1 . . . . . . . . 5929 1 414 . 1 1 38 38 SER H H 1 7.29 0.03 . 1 . . . . . . . . 5929 1 415 . 1 1 38 38 SER CA C 13 53.0 0.3 . 1 . . . . . . . . 5929 1 416 . 1 1 38 38 SER HA H 1 3.57 0.03 . 1 . . . . . . . . 5929 1 417 . 1 1 38 38 SER CB C 13 61.1 0.3 . 1 . . . . . . . . 5929 1 418 . 1 1 38 38 SER HB2 H 1 3.19 0.03 . 1 . . . . . . . . 5929 1 419 . 1 1 38 38 SER HB3 H 1 3.19 0.03 . 1 . . . . . . . . 5929 1 420 . 1 1 38 38 SER C C 13 165.0 0.3 . 1 . . . . . . . . 5929 1 421 . 1 1 39 39 PRO CD C 13 47.0 0.3 . 1 . . . . . . . . 5929 1 422 . 1 1 39 39 PRO CA C 13 60.0 0.3 . 1 . . . . . . . . 5929 1 423 . 1 1 39 39 PRO HA H 1 3.77 0.03 . 1 . . . . . . . . 5929 1 424 . 1 1 39 39 PRO CB C 13 28.6 0.3 . 1 . . . . . . . . 5929 1 425 . 1 1 39 39 PRO HB2 H 1 0.80 0.03 . 2 . . . . . . . . 5929 1 426 . 1 1 39 39 PRO HB3 H 1 0.46 0.03 . 2 . . . . . . . . 5929 1 427 . 1 1 39 39 PRO CG C 13 24.6 0.3 . 1 . . . . . . . . 5929 1 428 . 1 1 39 39 PRO HG2 H 1 1.31 0.03 . 2 . . . . . . . . 5929 1 429 . 1 1 39 39 PRO HG3 H 1 0.95 0.03 . 2 . . . . . . . . 5929 1 430 . 1 1 39 39 PRO HD2 H 1 3.06 0.03 . 2 . . . . . . . . 5929 1 431 . 1 1 39 39 PRO HD3 H 1 2.36 0.03 . 2 . . . . . . . . 5929 1 432 . 1 1 39 39 PRO C C 13 172.4 0.3 . 1 . . . . . . . . 5929 1 433 . 1 1 40 40 ASN N N 15 118.5 0.3 . 1 . . . . . . . . 5929 1 434 . 1 1 40 40 ASN H H 1 7.84 0.03 . 1 . . . . . . . . 5929 1 435 . 1 1 40 40 ASN CA C 13 48.2 0.3 . 1 . . . . . . . . 5929 1 436 . 1 1 40 40 ASN HA H 1 4.91 0.03 . 1 . . . . . . . . 5929 1 437 . 1 1 40 40 ASN CB C 13 36.3 0.3 . 1 . . . . . . . . 5929 1 438 . 1 1 40 40 ASN HB2 H 1 2.91 0.03 . 2 . . . . . . . . 5929 1 439 . 1 1 40 40 ASN HB3 H 1 2.24 0.03 . 2 . . . . . . . . 5929 1 440 . 1 1 40 40 ASN ND2 N 15 109.6 0.3 . 1 . . . . . . . . 5929 1 441 . 1 1 40 40 ASN HD21 H 1 7.67 0.03 . 2 . . . . . . . . 5929 1 442 . 1 1 40 40 ASN HD22 H 1 6.85 0.03 . 2 . . . . . . . . 5929 1 443 . 1 1 40 40 ASN C C 13 173.4 0.3 . 1 . . . . . . . . 5929 1 444 . 1 1 41 41 ILE N N 15 117.1 0.3 . 1 . . . . . . . . 5929 1 445 . 1 1 41 41 ILE H H 1 8.71 0.03 . 1 . . . . . . . . 5929 1 446 . 1 1 41 41 ILE CA C 13 57.7 0.3 . 1 . . . . . . . . 5929 1 447 . 1 1 41 41 ILE HA H 1 4.79 0.03 . 1 . . . . . . . . 5929 1 448 . 1 1 41 41 ILE CB C 13 35.2 0.3 . 1 . . . . . . . . 5929 1 449 . 1 1 41 41 ILE HB H 1 2.17 0.03 . 1 . . . . . . . . 5929 1 450 . 1 1 41 41 ILE HG21 H 1 1.01 0.03 . 1 . . . . . . . . 5929 1 451 . 1 1 41 41 ILE HG22 H 1 1.01 0.03 . 1 . . . . . . . . 5929 1 452 . 1 1 41 41 ILE HG23 H 1 1.01 0.03 . 1 . . . . . . . . 5929 1 453 . 1 1 41 41 ILE CG2 C 13 15.9 0.3 . 1 . . . . . . . . 5929 1 454 . 1 1 41 41 ILE CG1 C 13 22.1 0.3 . 1 . . . . . . . . 5929 1 455 . 1 1 41 41 ILE HG12 H 1 1.13 0.03 . 2 . . . . . . . . 5929 1 456 . 1 1 41 41 ILE HG13 H 1 0.79 0.03 . 2 . . . . . . . . 5929 1 457 . 1 1 41 41 ILE HD11 H 1 0.72 0.03 . 1 . . . . . . . . 5929 1 458 . 1 1 41 41 ILE HD12 H 1 0.72 0.03 . 1 . . . . . . . . 5929 1 459 . 1 1 41 41 ILE HD13 H 1 0.72 0.03 . 1 . . . . . . . . 5929 1 460 . 1 1 41 41 ILE CD1 C 13 13.4 0.3 . 1 . . . . . . . . 5929 1 461 . 1 1 41 41 ILE C C 13 173.6 0.3 . 1 . . . . . . . . 5929 1 462 . 1 1 42 42 LYS N N 15 125.1 0.3 . 1 . . . . . . . . 5929 1 463 . 1 1 42 42 LYS H H 1 8.36 0.03 . 1 . . . . . . . . 5929 1 464 . 1 1 42 42 LYS CA C 13 56.8 0.3 . 1 . . . . . . . . 5929 1 465 . 1 1 42 42 LYS HA H 1 4.34 0.03 . 1 . . . . . . . . 5929 1 466 . 1 1 42 42 LYS CB C 13 29.5 0.3 . 1 . . . . . . . . 5929 1 467 . 1 1 42 42 LYS HB2 H 1 1.99 0.03 . 2 . . . . . . . . 5929 1 468 . 1 1 42 42 LYS HB3 H 1 1.83 0.03 . 2 . . . . . . . . 5929 1 469 . 1 1 42 42 LYS CG C 13 22.4 0.3 . 1 . . . . . . . . 5929 1 470 . 1 1 42 42 LYS HG2 H 1 1.55 0.03 . 2 . . . . . . . . 5929 1 471 . 1 1 42 42 LYS HG3 H 1 1.46 0.03 . 2 . . . . . . . . 5929 1 472 . 1 1 42 42 LYS CD C 13 26.9 0.3 . 1 . . . . . . . . 5929 1 473 . 1 1 42 42 LYS HD2 H 1 1.65 0.03 . 1 . . . . . . . . 5929 1 474 . 1 1 42 42 LYS HD3 H 1 1.65 0.03 . 1 . . . . . . . . 5929 1 475 . 1 1 42 42 LYS CE C 13 39.4 0.3 . 1 . . . . . . . . 5929 1 476 . 1 1 42 42 LYS HE2 H 1 2.90 0.03 . 1 . . . . . . . . 5929 1 477 . 1 1 42 42 LYS HE3 H 1 2.90 0.03 . 1 . . . . . . . . 5929 1 478 . 1 1 42 42 LYS C C 13 178.4 0.3 . 1 . . . . . . . . 5929 1 479 . 1 1 43 43 GLY N N 15 107.5 0.3 . 1 . . . . . . . . 5929 1 480 . 1 1 43 43 GLY H H 1 8.53 0.03 . 1 . . . . . . . . 5929 1 481 . 1 1 43 43 GLY CA C 13 43.3 0.3 . 1 . . . . . . . . 5929 1 482 . 1 1 43 43 GLY HA2 H 1 3.96 0.03 . 2 . . . . . . . . 5929 1 483 . 1 1 43 43 GLY HA3 H 1 3.72 0.03 . 2 . . . . . . . . 5929 1 484 . 1 1 43 43 GLY C C 13 171.5 0.3 . 1 . . . . . . . . 5929 1 485 . 1 1 44 44 LEU N N 15 116.8 0.3 . 1 . . . . . . . . 5929 1 486 . 1 1 44 44 LEU H H 1 7.45 0.03 . 1 . . . . . . . . 5929 1 487 . 1 1 44 44 LEU CA C 13 50.6 0.3 . 1 . . . . . . . . 5929 1 488 . 1 1 44 44 LEU HA H 1 4.42 0.03 . 1 . . . . . . . . 5929 1 489 . 1 1 44 44 LEU CB C 13 39.0 0.3 . 1 . . . . . . . . 5929 1 490 . 1 1 44 44 LEU HB2 H 1 1.68 0.03 . 2 . . . . . . . . 5929 1 491 . 1 1 44 44 LEU HB3 H 1 1.43 0.03 . 2 . . . . . . . . 5929 1 492 . 1 1 44 44 LEU CG C 13 23.5 0.3 . 1 . . . . . . . . 5929 1 493 . 1 1 44 44 LEU HG H 1 1.27 0.03 . 1 . . . . . . . . 5929 1 494 . 1 1 44 44 LEU HD11 H 1 0.16 0.03 . 2 . . . . . . . . 5929 1 495 . 1 1 44 44 LEU HD12 H 1 0.16 0.03 . 2 . . . . . . . . 5929 1 496 . 1 1 44 44 LEU HD13 H 1 0.16 0.03 . 2 . . . . . . . . 5929 1 497 . 1 1 44 44 LEU HD21 H 1 0.45 0.03 . 2 . . . . . . . . 5929 1 498 . 1 1 44 44 LEU HD22 H 1 0.45 0.03 . 2 . . . . . . . . 5929 1 499 . 1 1 44 44 LEU HD23 H 1 0.45 0.03 . 2 . . . . . . . . 5929 1 500 . 1 1 44 44 LEU CD1 C 13 23.5 0.3 . 1 . . . . . . . . 5929 1 501 . 1 1 44 44 LEU CD2 C 13 18.7 0.3 . 1 . . . . . . . . 5929 1 502 . 1 1 44 44 LEU C C 13 174.8 0.3 . 1 . . . . . . . . 5929 1 503 . 1 1 45 45 GLY N N 15 106.8 0.3 . 1 . . . . . . . . 5929 1 504 . 1 1 45 45 GLY H H 1 8.03 0.03 . 1 . . . . . . . . 5929 1 505 . 1 1 45 45 GLY CA C 13 42.9 0.3 . 1 . . . . . . . . 5929 1 506 . 1 1 45 45 GLY HA2 H 1 4.03 0.03 . 2 . . . . . . . . 5929 1 507 . 1 1 45 45 GLY HA3 H 1 3.78 0.03 . 2 . . . . . . . . 5929 1 508 . 1 1 45 45 GLY C C 13 171.4 0.3 . 1 . . . . . . . . 5929 1 509 . 1 1 46 46 LYS N N 15 117.3 0.3 . 1 . . . . . . . . 5929 1 510 . 1 1 46 46 LYS H H 1 6.85 0.03 . 1 . . . . . . . . 5929 1 511 . 1 1 46 46 LYS CA C 13 51.3 0.3 . 1 . . . . . . . . 5929 1 512 . 1 1 46 46 LYS HA H 1 4.74 0.03 . 1 . . . . . . . . 5929 1 513 . 1 1 46 46 LYS CB C 13 35.6 0.3 . 1 . . . . . . . . 5929 1 514 . 1 1 46 46 LYS HB2 H 1 1.97 0.03 . 2 . . . . . . . . 5929 1 515 . 1 1 46 46 LYS HB3 H 1 1.26 0.03 . 2 . . . . . . . . 5929 1 516 . 1 1 46 46 LYS CG C 13 23.1 0.3 . 1 . . . . . . . . 5929 1 517 . 1 1 46 46 LYS HG2 H 1 1.29 0.03 . 1 . . . . . . . . 5929 1 518 . 1 1 46 46 LYS HG3 H 1 1.29 0.03 . 1 . . . . . . . . 5929 1 519 . 1 1 46 46 LYS CD C 13 26.6 0.3 . 1 . . . . . . . . 5929 1 520 . 1 1 46 46 LYS HD2 H 1 1.82 0.03 . 2 . . . . . . . . 5929 1 521 . 1 1 46 46 LYS HD3 H 1 1.42 0.03 . 2 . . . . . . . . 5929 1 522 . 1 1 46 46 LYS CE C 13 40.3 0.3 . 1 . . . . . . . . 5929 1 523 . 1 1 46 46 LYS HE2 H 1 3.12 0.03 . 1 . . . . . . . . 5929 1 524 . 1 1 46 46 LYS HE3 H 1 3.12 0.03 . 1 . . . . . . . . 5929 1 525 . 1 1 46 46 LYS C C 13 171.7 0.3 . 1 . . . . . . . . 5929 1 526 . 1 1 47 47 LYS N N 15 119.2 0.3 . 1 . . . . . . . . 5929 1 527 . 1 1 47 47 LYS H H 1 8.45 0.03 . 1 . . . . . . . . 5929 1 528 . 1 1 47 47 LYS CA C 13 52.3 0.3 . 1 . . . . . . . . 5929 1 529 . 1 1 47 47 LYS HA H 1 4.39 0.03 . 1 . . . . . . . . 5929 1 530 . 1 1 47 47 LYS CB C 13 32.2 0.3 . 1 . . . . . . . . 5929 1 531 . 1 1 47 47 LYS HB2 H 1 1.66 0.03 . 2 . . . . . . . . 5929 1 532 . 1 1 47 47 LYS HB3 H 1 1.56 0.03 . 2 . . . . . . . . 5929 1 533 . 1 1 47 47 LYS CG C 13 21.9 0.3 . 1 . . . . . . . . 5929 1 534 . 1 1 47 47 LYS HG2 H 1 1.32 0.03 . 1 . . . . . . . . 5929 1 535 . 1 1 47 47 LYS HG3 H 1 1.32 0.03 . 1 . . . . . . . . 5929 1 536 . 1 1 47 47 LYS CD C 13 26.6 0.3 . 1 . . . . . . . . 5929 1 537 . 1 1 47 47 LYS HD2 H 1 1.58 0.03 . 1 . . . . . . . . 5929 1 538 . 1 1 47 47 LYS HD3 H 1 1.58 0.03 . 1 . . . . . . . . 5929 1 539 . 1 1 47 47 LYS CE C 13 39.6 0.3 . 1 . . . . . . . . 5929 1 540 . 1 1 47 47 LYS HE2 H 1 2.90 0.03 . 1 . . . . . . . . 5929 1 541 . 1 1 47 47 LYS HE3 H 1 2.90 0.03 . 1 . . . . . . . . 5929 1 542 . 1 1 47 47 LYS C C 13 173.6 0.3 . 1 . . . . . . . . 5929 1 543 . 1 1 48 48 ALA N N 15 128.6 0.3 . 1 . . . . . . . . 5929 1 544 . 1 1 48 48 ALA H H 1 8.70 0.03 . 1 . . . . . . . . 5929 1 545 . 1 1 48 48 ALA CA C 13 49.7 0.3 . 1 . . . . . . . . 5929 1 546 . 1 1 48 48 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 5929 1 547 . 1 1 48 48 ALA HB1 H 1 1.18 0.03 . 1 . . . . . . . . 5929 1 548 . 1 1 48 48 ALA HB2 H 1 1.18 0.03 . 1 . . . . . . . . 5929 1 549 . 1 1 48 48 ALA HB3 H 1 1.18 0.03 . 1 . . . . . . . . 5929 1 550 . 1 1 48 48 ALA CB C 13 16.7 0.3 . 1 . . . . . . . . 5929 1 551 . 1 1 48 48 ALA C C 13 174.1 0.3 . 1 . . . . . . . . 5929 1 552 . 1 1 49 49 VAL N N 15 125.0 0.3 . 1 . . . . . . . . 5929 1 553 . 1 1 49 49 VAL H H 1 8.74 0.03 . 1 . . . . . . . . 5929 1 554 . 1 1 49 49 VAL CA C 13 59.4 0.3 . 1 . . . . . . . . 5929 1 555 . 1 1 49 49 VAL HA H 1 4.05 0.03 . 1 . . . . . . . . 5929 1 556 . 1 1 49 49 VAL CB C 13 30.6 0.3 . 1 . . . . . . . . 5929 1 557 . 1 1 49 49 VAL HB H 1 2.05 0.03 . 1 . . . . . . . . 5929 1 558 . 1 1 49 49 VAL HG11 H 1 0.74 0.03 . 2 . . . . . . . . 5929 1 559 . 1 1 49 49 VAL HG12 H 1 0.74 0.03 . 2 . . . . . . . . 5929 1 560 . 1 1 49 49 VAL HG13 H 1 0.74 0.03 . 2 . . . . . . . . 5929 1 561 . 1 1 49 49 VAL HG21 H 1 0.58 0.03 . 2 . . . . . . . . 5929 1 562 . 1 1 49 49 VAL HG22 H 1 0.58 0.03 . 2 . . . . . . . . 5929 1 563 . 1 1 49 49 VAL HG23 H 1 0.58 0.03 . 2 . . . . . . . . 5929 1 564 . 1 1 49 49 VAL CG1 C 13 18.7 0.3 . 1 . . . . . . . . 5929 1 565 . 1 1 49 49 VAL CG2 C 13 18.6 0.3 . 1 . . . . . . . . 5929 1 566 . 1 1 49 49 VAL C C 13 171.7 0.3 . 1 . . . . . . . . 5929 1 567 . 1 1 50 50 SER N N 15 123.0 0.3 . 1 . . . . . . . . 5929 1 568 . 1 1 50 50 SER H H 1 8.53 0.03 . 1 . . . . . . . . 5929 1 569 . 1 1 50 50 SER CA C 13 53.4 0.3 . 1 . . . . . . . . 5929 1 570 . 1 1 50 50 SER HA H 1 5.55 0.03 . 1 . . . . . . . . 5929 1 571 . 1 1 50 50 SER CB C 13 61.0 0.3 . 1 . . . . . . . . 5929 1 572 . 1 1 50 50 SER HB2 H 1 3.70 0.03 . 2 . . . . . . . . 5929 1 573 . 1 1 50 50 SER HB3 H 1 3.59 0.03 . 2 . . . . . . . . 5929 1 574 . 1 1 50 50 SER C C 13 173.3 0.3 . 1 . . . . . . . . 5929 1 575 . 1 1 51 51 THR N N 15 123.9 0.3 . 1 . . . . . . . . 5929 1 576 . 1 1 51 51 THR H H 1 7.76 0.03 . 1 . . . . . . . . 5929 1 577 . 1 1 51 51 THR CA C 13 60.3 0.3 . 1 . . . . . . . . 5929 1 578 . 1 1 51 51 THR HA H 1 4.26 0.03 . 1 . . . . . . . . 5929 1 579 . 1 1 51 51 THR CB C 13 70.0 0.3 . 1 . . . . . . . . 5929 1 580 . 1 1 51 51 THR HB H 1 3.72 0.03 . 1 . . . . . . . . 5929 1 581 . 1 1 51 51 THR HG21 H 1 0.97 0.03 . 1 . . . . . . . . 5929 1 582 . 1 1 51 51 THR HG22 H 1 0.97 0.03 . 1 . . . . . . . . 5929 1 583 . 1 1 51 51 THR HG23 H 1 0.97 0.03 . 1 . . . . . . . . 5929 1 584 . 1 1 51 51 THR CG2 C 13 19.5 0.3 . 1 . . . . . . . . 5929 1 585 . 1 1 51 51 THR C C 13 168.9 0.3 . 1 . . . . . . . . 5929 1 586 . 1 1 52 52 VAL N N 15 126.3 0.3 . 1 . . . . . . . . 5929 1 587 . 1 1 52 52 VAL H H 1 8.06 0.03 . 1 . . . . . . . . 5929 1 588 . 1 1 52 52 VAL CA C 13 60.8 0.3 . 1 . . . . . . . . 5929 1 589 . 1 1 52 52 VAL HA H 1 3.57 0.03 . 1 . . . . . . . . 5929 1 590 . 1 1 52 52 VAL CB C 13 29.9 0.3 . 1 . . . . . . . . 5929 1 591 . 1 1 52 52 VAL HB H 1 1.87 0.03 . 1 . . . . . . . . 5929 1 592 . 1 1 52 52 VAL HG11 H 1 1.07 0.03 . 2 . . . . . . . . 5929 1 593 . 1 1 52 52 VAL HG12 H 1 1.07 0.03 . 2 . . . . . . . . 5929 1 594 . 1 1 52 52 VAL HG13 H 1 1.07 0.03 . 2 . . . . . . . . 5929 1 595 . 1 1 52 52 VAL HG21 H 1 0.81 0.03 . 2 . . . . . . . . 5929 1 596 . 1 1 52 52 VAL HG22 H 1 0.81 0.03 . 2 . . . . . . . . 5929 1 597 . 1 1 52 52 VAL HG23 H 1 0.81 0.03 . 2 . . . . . . . . 5929 1 598 . 1 1 52 52 VAL CG1 C 13 18.6 0.3 . 1 . . . . . . . . 5929 1 599 . 1 1 52 52 VAL CG2 C 13 18.4 0.3 . 1 . . . . . . . . 5929 1 600 . 1 1 52 52 VAL C C 13 174.2 0.3 . 1 . . . . . . . . 5929 1 601 . 1 1 53 53 TYR N N 15 125.6 0.3 . 1 . . . . . . . . 5929 1 602 . 1 1 53 53 TYR H H 1 7.55 0.03 . 1 . . . . . . . . 5929 1 603 . 1 1 53 53 TYR CA C 13 55.7 0.3 . 1 . . . . . . . . 5929 1 604 . 1 1 53 53 TYR HA H 1 4.18 0.03 . 1 . . . . . . . . 5929 1 605 . 1 1 53 53 TYR CB C 13 36.4 0.3 . 1 . . . . . . . . 5929 1 606 . 1 1 53 53 TYR HB2 H 1 2.72 0.03 . 2 . . . . . . . . 5929 1 607 . 1 1 53 53 TYR HB3 H 1 2.32 0.03 . 2 . . . . . . . . 5929 1 608 . 1 1 53 53 TYR HD1 H 1 5.73 0.03 . 1 . . . . . . . . 5929 1 609 . 1 1 53 53 TYR HD2 H 1 5.73 0.03 . 1 . . . . . . . . 5929 1 610 . 1 1 53 53 TYR HE1 H 1 6.07 0.03 . 1 . . . . . . . . 5929 1 611 . 1 1 53 53 TYR HE2 H 1 6.07 0.03 . 1 . . . . . . . . 5929 1 612 . 1 1 53 53 TYR CD1 C 13 129.8 0.3 . 1 . . . . . . . . 5929 1 613 . 1 1 53 53 TYR CE1 C 13 114.2 0.3 . 1 . . . . . . . . 5929 1 614 . 1 1 53 53 TYR C C 13 171.0 0.3 . 1 . . . . . . . . 5929 1 615 . 1 1 54 54 ASN N N 15 126.6 0.3 . 1 . . . . . . . . 5929 1 616 . 1 1 54 54 ASN H H 1 6.98 0.03 . 1 . . . . . . . . 5929 1 617 . 1 1 54 54 ASN CA C 13 48.7 0.3 . 1 . . . . . . . . 5929 1 618 . 1 1 54 54 ASN HA H 1 4.35 0.03 . 1 . . . . . . . . 5929 1 619 . 1 1 54 54 ASN CB C 13 36.6 0.3 . 1 . . . . . . . . 5929 1 620 . 1 1 54 54 ASN HB2 H 1 2.74 0.03 . 2 . . . . . . . . 5929 1 621 . 1 1 54 54 ASN HB3 H 1 2.55 0.03 . 2 . . . . . . . . 5929 1 622 . 1 1 54 54 ASN ND2 N 15 111.7 0.3 . 1 . . . . . . . . 5929 1 623 . 1 1 54 54 ASN HD21 H 1 7.46 0.03 . 2 . . . . . . . . 5929 1 624 . 1 1 54 54 ASN HD22 H 1 6.88 0.03 . 2 . . . . . . . . 5929 1 625 . 1 1 54 54 ASN C C 13 172.5 0.3 . 1 . . . . . . . . 5929 1 626 . 1 1 55 55 GLY N N 15 111.6 0.3 . 1 . . . . . . . . 5929 1 627 . 1 1 55 55 GLY H H 1 7.99 0.03 . 1 . . . . . . . . 5929 1 628 . 1 1 55 55 GLY CA C 13 43.9 0.3 . 1 . . . . . . . . 5929 1 629 . 1 1 55 55 GLY HA2 H 1 3.62 0.03 . 2 . . . . . . . . 5929 1 630 . 1 1 55 55 GLY HA3 H 1 3.29 0.03 . 2 . . . . . . . . 5929 1 631 . 1 1 55 55 GLY C C 13 171.7 0.3 . 1 . . . . . . . . 5929 1 632 . 1 1 56 56 GLU N N 15 117.3 0.3 . 1 . . . . . . . . 5929 1 633 . 1 1 56 56 GLU H H 1 7.80 0.03 . 1 . . . . . . . . 5929 1 634 . 1 1 56 56 GLU CA C 13 53.8 0.3 . 1 . . . . . . . . 5929 1 635 . 1 1 56 56 GLU HA H 1 4.21 0.03 . 1 . . . . . . . . 5929 1 636 . 1 1 56 56 GLU CB C 13 26.8 0.3 . 1 . . . . . . . . 5929 1 637 . 1 1 56 56 GLU HB2 H 1 2.01 0.03 . 2 . . . . . . . . 5929 1 638 . 1 1 56 56 GLU HB3 H 1 1.76 0.03 . 2 . . . . . . . . 5929 1 639 . 1 1 56 56 GLU CG C 13 33.6 0.3 . 1 . . . . . . . . 5929 1 640 . 1 1 56 56 GLU HG2 H 1 2.17 0.03 . 2 . . . . . . . . 5929 1 641 . 1 1 56 56 GLU HG3 H 1 2.07 0.03 . 2 . . . . . . . . 5929 1 642 . 1 1 56 56 GLU C C 13 173.3 0.3 . 1 . . . . . . . . 5929 1 643 . 1 1 57 57 ASP N N 15 119.7 0.3 . 1 . . . . . . . . 5929 1 644 . 1 1 57 57 ASP H H 1 7.80 0.03 . 1 . . . . . . . . 5929 1 645 . 1 1 57 57 ASP CA C 13 49.7 0.3 . 1 . . . . . . . . 5929 1 646 . 1 1 57 57 ASP HA H 1 4.83 0.03 . 1 . . . . . . . . 5929 1 647 . 1 1 57 57 ASP CB C 13 37.7 0.3 . 1 . . . . . . . . 5929 1 648 . 1 1 57 57 ASP HB2 H 1 2.56 0.03 . 2 . . . . . . . . 5929 1 649 . 1 1 57 57 ASP HB3 H 1 2.28 0.03 . 2 . . . . . . . . 5929 1 650 . 1 1 57 57 ASP C C 13 172.7 0.3 . 1 . . . . . . . . 5929 1 651 . 1 1 58 58 LYS N N 15 123.9 0.3 . 1 . . . . . . . . 5929 1 652 . 1 1 58 58 LYS H H 1 8.95 0.03 . 1 . . . . . . . . 5929 1 653 . 1 1 58 58 LYS CA C 13 59.3 0.3 . 1 . . . . . . . . 5929 1 654 . 1 1 58 58 LYS HA H 1 4.07 0.03 . 1 . . . . . . . . 5929 1 655 . 1 1 58 58 LYS CB C 13 27.6 0.3 . 1 . . . . . . . . 5929 1 656 . 1 1 58 58 LYS HB2 H 1 1.95 0.03 . 2 . . . . . . . . 5929 1 657 . 1 1 58 58 LYS HB3 H 1 1.79 0.03 . 2 . . . . . . . . 5929 1 658 . 1 1 58 58 LYS CG C 13 23.6 0.3 . 1 . . . . . . . . 5929 1 659 . 1 1 58 58 LYS HG2 H 1 1.62 0.03 . 2 . . . . . . . . 5929 1 660 . 1 1 58 58 LYS HG3 H 1 1.42 0.03 . 2 . . . . . . . . 5929 1 661 . 1 1 58 58 LYS HE2 H 1 3.05 0.03 . 1 . . . . . . . . 5929 1 662 . 1 1 58 58 LYS HE3 H 1 3.05 0.03 . 1 . . . . . . . . 5929 1 663 . 1 1 58 58 LYS C C 13 173.1 0.3 . 1 . . . . . . . . 5929 1 664 . 1 1 59 59 PRO CD C 13 48.1 0.3 . 1 . . . . . . . . 5929 1 665 . 1 1 59 59 PRO CA C 13 63.3 0.3 . 1 . . . . . . . . 5929 1 666 . 1 1 59 59 PRO HA H 1 4.25 0.03 . 1 . . . . . . . . 5929 1 667 . 1 1 59 59 PRO CB C 13 28.4 0.3 . 1 . . . . . . . . 5929 1 668 . 1 1 59 59 PRO HB2 H 1 2.32 0.03 . 2 . . . . . . . . 5929 1 669 . 1 1 59 59 PRO HB3 H 1 1.78 0.03 . 2 . . . . . . . . 5929 1 670 . 1 1 59 59 PRO CG C 13 26.0 0.3 . 1 . . . . . . . . 5929 1 671 . 1 1 59 59 PRO HG2 H 1 2.12 0.03 . 2 . . . . . . . . 5929 1 672 . 1 1 59 59 PRO HG3 H 1 1.89 0.03 . 2 . . . . . . . . 5929 1 673 . 1 1 59 59 PRO HD2 H 1 3.87 0.03 . 2 . . . . . . . . 5929 1 674 . 1 1 59 59 PRO HD3 H 1 3.79 0.03 . 2 . . . . . . . . 5929 1 675 . 1 1 59 59 PRO C C 13 177.7 0.3 . 1 . . . . . . . . 5929 1 676 . 1 1 60 60 GLY N N 15 108.0 0.3 . 1 . . . . . . . . 5929 1 677 . 1 1 60 60 GLY H H 1 7.93 0.03 . 1 . . . . . . . . 5929 1 678 . 1 1 60 60 GLY CA C 13 44.6 0.3 . 1 . . . . . . . . 5929 1 679 . 1 1 60 60 GLY HA2 H 1 4.03 0.03 . 2 . . . . . . . . 5929 1 680 . 1 1 60 60 GLY HA3 H 1 3.73 0.03 . 2 . . . . . . . . 5929 1 681 . 1 1 60 60 GLY C C 13 173.8 0.3 . 1 . . . . . . . . 5929 1 682 . 1 1 61 61 PHE N N 15 124.8 0.3 . 1 . . . . . . . . 5929 1 683 . 1 1 61 61 PHE H H 1 8.11 0.03 . 1 . . . . . . . . 5929 1 684 . 1 1 61 61 PHE CA C 13 58.9 0.3 . 1 . . . . . . . . 5929 1 685 . 1 1 61 61 PHE HA H 1 4.19 0.03 . 1 . . . . . . . . 5929 1 686 . 1 1 61 61 PHE CB C 13 36.2 0.3 . 1 . . . . . . . . 5929 1 687 . 1 1 61 61 PHE HB2 H 1 3.61 0.03 . 2 . . . . . . . . 5929 1 688 . 1 1 61 61 PHE HB3 H 1 3.31 0.03 . 2 . . . . . . . . 5929 1 689 . 1 1 61 61 PHE HD1 H 1 7.25 0.03 . 1 . . . . . . . . 5929 1 690 . 1 1 61 61 PHE HD2 H 1 7.25 0.03 . 1 . . . . . . . . 5929 1 691 . 1 1 61 61 PHE HE1 H 1 7.01 0.03 . 1 . . . . . . . . 5929 1 692 . 1 1 61 61 PHE HE2 H 1 7.01 0.03 . 1 . . . . . . . . 5929 1 693 . 1 1 61 61 PHE CD1 C 13 129.6 0.3 . 1 . . . . . . . . 5929 1 694 . 1 1 61 61 PHE CE1 C 13 128.7 0.3 . 1 . . . . . . . . 5929 1 695 . 1 1 61 61 PHE CZ C 13 126.6 0.3 . 1 . . . . . . . . 5929 1 696 . 1 1 61 61 PHE HZ H 1 6.97 0.03 . 1 . . . . . . . . 5929 1 697 . 1 1 61 61 PHE C C 13 174.1 0.3 . 1 . . . . . . . . 5929 1 698 . 1 1 62 62 LEU N N 15 117.8 0.3 . 1 . . . . . . . . 5929 1 699 . 1 1 62 62 LEU H H 1 8.20 0.03 . 1 . . . . . . . . 5929 1 700 . 1 1 62 62 LEU CA C 13 55.0 0.3 . 1 . . . . . . . . 5929 1 701 . 1 1 62 62 LEU HA H 1 3.75 0.03 . 1 . . . . . . . . 5929 1 702 . 1 1 62 62 LEU CB C 13 38.6 0.3 . 1 . . . . . . . . 5929 1 703 . 1 1 62 62 LEU HB2 H 1 1.93 0.03 . 2 . . . . . . . . 5929 1 704 . 1 1 62 62 LEU HB3 H 1 1.52 0.03 . 2 . . . . . . . . 5929 1 705 . 1 1 62 62 LEU CG C 13 24.6 0.3 . 1 . . . . . . . . 5929 1 706 . 1 1 62 62 LEU HG H 1 1.96 0.03 . 1 . . . . . . . . 5929 1 707 . 1 1 62 62 LEU HD11 H 1 0.86 0.03 . 2 . . . . . . . . 5929 1 708 . 1 1 62 62 LEU HD12 H 1 0.86 0.03 . 2 . . . . . . . . 5929 1 709 . 1 1 62 62 LEU HD13 H 1 0.86 0.03 . 2 . . . . . . . . 5929 1 710 . 1 1 62 62 LEU HD21 H 1 0.85 0.03 . 2 . . . . . . . . 5929 1 711 . 1 1 62 62 LEU HD22 H 1 0.85 0.03 . 2 . . . . . . . . 5929 1 712 . 1 1 62 62 LEU HD23 H 1 0.85 0.03 . 2 . . . . . . . . 5929 1 713 . 1 1 62 62 LEU CD1 C 13 22.6 0.3 . 1 . . . . . . . . 5929 1 714 . 1 1 62 62 LEU CD2 C 13 19.5 0.3 . 1 . . . . . . . . 5929 1 715 . 1 1 62 62 LEU C C 13 177.6 0.3 . 1 . . . . . . . . 5929 1 716 . 1 1 63 63 LYS N N 15 120.9 0.3 . 1 . . . . . . . . 5929 1 717 . 1 1 63 63 LYS H H 1 8.15 0.03 . 1 . . . . . . . . 5929 1 718 . 1 1 63 63 LYS CA C 13 56.5 0.3 . 1 . . . . . . . . 5929 1 719 . 1 1 63 63 LYS HA H 1 4.03 0.03 . 1 . . . . . . . . 5929 1 720 . 1 1 63 63 LYS CB C 13 29.2 0.3 . 1 . . . . . . . . 5929 1 721 . 1 1 63 63 LYS HB2 H 1 1.89 0.03 . 1 . . . . . . . . 5929 1 722 . 1 1 63 63 LYS HB3 H 1 1.89 0.03 . 1 . . . . . . . . 5929 1 723 . 1 1 63 63 LYS CG C 13 22.3 0.3 . 1 . . . . . . . . 5929 1 724 . 1 1 63 63 LYS HG2 H 1 1.41 0.03 . 1 . . . . . . . . 5929 1 725 . 1 1 63 63 LYS HG3 H 1 1.41 0.03 . 1 . . . . . . . . 5929 1 726 . 1 1 63 63 LYS CD C 13 26.3 0.3 . 1 . . . . . . . . 5929 1 727 . 1 1 63 63 LYS HD2 H 1 1.61 0.03 . 1 . . . . . . . . 5929 1 728 . 1 1 63 63 LYS HD3 H 1 1.61 0.03 . 1 . . . . . . . . 5929 1 729 . 1 1 63 63 LYS CE C 13 39.4 0.3 . 1 . . . . . . . . 5929 1 730 . 1 1 63 63 LYS HE2 H 1 2.88 0.03 . 1 . . . . . . . . 5929 1 731 . 1 1 63 63 LYS HE3 H 1 2.88 0.03 . 1 . . . . . . . . 5929 1 732 . 1 1 63 63 LYS C C 13 177.2 0.3 . 1 . . . . . . . . 5929 1 733 . 1 1 64 64 LYS N N 15 120.0 0.3 . 1 . . . . . . . . 5929 1 734 . 1 1 64 64 LYS H H 1 7.86 0.03 . 1 . . . . . . . . 5929 1 735 . 1 1 64 64 LYS CA C 13 57.3 0.3 . 1 . . . . . . . . 5929 1 736 . 1 1 64 64 LYS HA H 1 3.86 0.03 . 1 . . . . . . . . 5929 1 737 . 1 1 64 64 LYS CB C 13 29.5 0.3 . 1 . . . . . . . . 5929 1 738 . 1 1 64 64 LYS HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5929 1 739 . 1 1 64 64 LYS HB3 H 1 1.64 0.03 . 2 . . . . . . . . 5929 1 740 . 1 1 64 64 LYS CG C 13 23.2 0.3 . 1 . . . . . . . . 5929 1 741 . 1 1 64 64 LYS HG2 H 1 1.59 0.03 . 2 . . . . . . . . 5929 1 742 . 1 1 64 64 LYS HG3 H 1 1.38 0.03 . 2 . . . . . . . . 5929 1 743 . 1 1 64 64 LYS CD C 13 26.9 0.3 . 1 . . . . . . . . 5929 1 744 . 1 1 64 64 LYS HD2 H 1 1.68 0.03 . 1 . . . . . . . . 5929 1 745 . 1 1 64 64 LYS HD3 H 1 1.68 0.03 . 1 . . . . . . . . 5929 1 746 . 1 1 64 64 LYS CE C 13 39.4 0.3 . 1 . . . . . . . . 5929 1 747 . 1 1 64 64 LYS HE2 H 1 2.89 0.03 . 1 . . . . . . . . 5929 1 748 . 1 1 64 64 LYS HE3 H 1 2.89 0.03 . 1 . . . . . . . . 5929 1 749 . 1 1 64 64 LYS C C 13 177.4 0.3 . 1 . . . . . . . . 5929 1 750 . 1 1 65 65 LEU N N 15 118.4 0.3 . 1 . . . . . . . . 5929 1 751 . 1 1 65 65 LEU H H 1 7.96 0.03 . 1 . . . . . . . . 5929 1 752 . 1 1 65 65 LEU CA C 13 55.4 0.3 . 1 . . . . . . . . 5929 1 753 . 1 1 65 65 LEU HA H 1 3.85 0.03 . 1 . . . . . . . . 5929 1 754 . 1 1 65 65 LEU CB C 13 38.8 0.3 . 1 . . . . . . . . 5929 1 755 . 1 1 65 65 LEU HB2 H 1 1.71 0.03 . 2 . . . . . . . . 5929 1 756 . 1 1 65 65 LEU HB3 H 1 1.51 0.03 . 2 . . . . . . . . 5929 1 757 . 1 1 65 65 LEU CG C 13 23.7 0.3 . 1 . . . . . . . . 5929 1 758 . 1 1 65 65 LEU HG H 1 1.41 0.03 . 1 . . . . . . . . 5929 1 759 . 1 1 65 65 LEU HD11 H 1 0.40 0.03 . 1 . . . . . . . . 5929 1 760 . 1 1 65 65 LEU HD12 H 1 0.40 0.03 . 1 . . . . . . . . 5929 1 761 . 1 1 65 65 LEU HD13 H 1 0.40 0.03 . 1 . . . . . . . . 5929 1 762 . 1 1 65 65 LEU HD21 H 1 0.40 0.03 . 1 . . . . . . . . 5929 1 763 . 1 1 65 65 LEU HD22 H 1 0.40 0.03 . 1 . . . . . . . . 5929 1 764 . 1 1 65 65 LEU HD23 H 1 0.40 0.03 . 1 . . . . . . . . 5929 1 765 . 1 1 65 65 LEU CD1 C 13 21.6 0.3 . 1 . . . . . . . . 5929 1 766 . 1 1 65 65 LEU CD2 C 13 23.5 0.3 . 1 . . . . . . . . 5929 1 767 . 1 1 65 65 LEU C C 13 176.9 0.3 . 1 . . . . . . . . 5929 1 768 . 1 1 66 66 SER N N 15 114.4 0.3 . 1 . . . . . . . . 5929 1 769 . 1 1 66 66 SER H H 1 7.92 0.03 . 1 . . . . . . . . 5929 1 770 . 1 1 66 66 SER CA C 13 58.8 0.3 . 1 . . . . . . . . 5929 1 771 . 1 1 66 66 SER HA H 1 4.34 0.03 . 1 . . . . . . . . 5929 1 772 . 1 1 66 66 SER CB C 13 60.4 0.3 . 1 . . . . . . . . 5929 1 773 . 1 1 66 66 SER HB2 H 1 3.98 0.03 . 1 . . . . . . . . 5929 1 774 . 1 1 66 66 SER HB3 H 1 3.98 0.03 . 1 . . . . . . . . 5929 1 775 . 1 1 66 66 SER C C 13 172.4 0.3 . 1 . . . . . . . . 5929 1 776 . 1 1 67 67 LEU N N 15 118.6 0.3 . 1 . . . . . . . . 5929 1 777 . 1 1 67 67 LEU H H 1 7.13 0.03 . 1 . . . . . . . . 5929 1 778 . 1 1 67 67 LEU CA C 13 53.3 0.3 . 1 . . . . . . . . 5929 1 779 . 1 1 67 67 LEU HA H 1 4.18 0.03 . 1 . . . . . . . . 5929 1 780 . 1 1 67 67 LEU CB C 13 39.6 0.3 . 1 . . . . . . . . 5929 1 781 . 1 1 67 67 LEU HB2 H 1 1.73 0.03 . 2 . . . . . . . . 5929 1 782 . 1 1 67 67 LEU HB3 H 1 1.49 0.03 . 2 . . . . . . . . 5929 1 783 . 1 1 67 67 LEU CG C 13 24.1 0.3 . 1 . . . . . . . . 5929 1 784 . 1 1 67 67 LEU HG H 1 1.73 0.03 . 1 . . . . . . . . 5929 1 785 . 1 1 67 67 LEU HD11 H 1 0.82 0.03 . 2 . . . . . . . . 5929 1 786 . 1 1 67 67 LEU HD12 H 1 0.82 0.03 . 2 . . . . . . . . 5929 1 787 . 1 1 67 67 LEU HD13 H 1 0.82 0.03 . 2 . . . . . . . . 5929 1 788 . 1 1 67 67 LEU HD21 H 1 0.77 0.03 . 2 . . . . . . . . 5929 1 789 . 1 1 67 67 LEU HD22 H 1 0.77 0.03 . 2 . . . . . . . . 5929 1 790 . 1 1 67 67 LEU HD23 H 1 0.77 0.03 . 2 . . . . . . . . 5929 1 791 . 1 1 67 67 LEU CD1 C 13 22.5 0.3 . 1 . . . . . . . . 5929 1 792 . 1 1 67 67 LEU CD2 C 13 20.0 0.3 . 1 . . . . . . . . 5929 1 793 . 1 1 67 67 LEU C C 13 175.8 0.3 . 1 . . . . . . . . 5929 1 794 . 1 1 68 68 LYS N N 15 116.5 0.3 . 1 . . . . . . . . 5929 1 795 . 1 1 68 68 LYS H H 1 7.33 0.03 . 1 . . . . . . . . 5929 1 796 . 1 1 68 68 LYS CA C 13 53.1 0.3 . 1 . . . . . . . . 5929 1 797 . 1 1 68 68 LYS HA H 1 4.00 0.03 . 1 . . . . . . . . 5929 1 798 . 1 1 68 68 LYS CB C 13 31.2 0.3 . 1 . . . . . . . . 5929 1 799 . 1 1 68 68 LYS HB2 H 1 1.41 0.03 . 2 . . . . . . . . 5929 1 800 . 1 1 68 68 LYS HB3 H 1 1.14 0.03 . 2 . . . . . . . . 5929 1 801 . 1 1 68 68 LYS CG C 13 21.7 0.3 . 1 . . . . . . . . 5929 1 802 . 1 1 68 68 LYS HG2 H 1 1.24 0.03 . 2 . . . . . . . . 5929 1 803 . 1 1 68 68 LYS HG3 H 1 1.07 0.03 . 2 . . . . . . . . 5929 1 804 . 1 1 68 68 LYS CD C 13 25.5 0.3 . 1 . . . . . . . . 5929 1 805 . 1 1 68 68 LYS HD2 H 1 1.40 0.03 . 2 . . . . . . . . 5929 1 806 . 1 1 68 68 LYS HD3 H 1 1.24 0.03 . 2 . . . . . . . . 5929 1 807 . 1 1 68 68 LYS CE C 13 39.5 0.3 . 1 . . . . . . . . 5929 1 808 . 1 1 68 68 LYS HE2 H 1 2.79 0.03 . 2 . . . . . . . . 5929 1 809 . 1 1 68 68 LYS HE3 H 1 2.75 0.03 . 2 . . . . . . . . 5929 1 810 . 1 1 68 68 LYS C C 13 173.1 0.3 . 1 . . . . . . . . 5929 1 811 . 1 1 69 69 PHE N N 15 117.3 0.3 . 1 . . . . . . . . 5929 1 812 . 1 1 69 69 PHE H H 1 7.58 0.03 . 1 . . . . . . . . 5929 1 813 . 1 1 69 69 PHE CA C 13 54.5 0.3 . 1 . . . . . . . . 5929 1 814 . 1 1 69 69 PHE HA H 1 4.69 0.03 . 1 . . . . . . . . 5929 1 815 . 1 1 69 69 PHE CB C 13 37.2 0.3 . 1 . . . . . . . . 5929 1 816 . 1 1 69 69 PHE HB2 H 1 3.04 0.03 . 2 . . . . . . . . 5929 1 817 . 1 1 69 69 PHE HB3 H 1 2.84 0.03 . 2 . . . . . . . . 5929 1 818 . 1 1 69 69 PHE HD1 H 1 7.49 0.03 . 1 . . . . . . . . 5929 1 819 . 1 1 69 69 PHE HD2 H 1 7.49 0.03 . 1 . . . . . . . . 5929 1 820 . 1 1 69 69 PHE HE1 H 1 6.99 0.03 . 1 . . . . . . . . 5929 1 821 . 1 1 69 69 PHE HE2 H 1 6.99 0.03 . 1 . . . . . . . . 5929 1 822 . 1 1 69 69 PHE CD1 C 13 129.9 0.3 . 1 . . . . . . . . 5929 1 823 . 1 1 69 69 PHE CE1 C 13 128.0 0.3 . 1 . . . . . . . . 5929 1 824 . 1 1 69 69 PHE CZ C 13 126.7 0.3 . 1 . . . . . . . . 5929 1 825 . 1 1 69 69 PHE HZ H 1 6.86 0.03 . 1 . . . . . . . . 5929 1 826 . 1 1 69 69 PHE C C 13 171.4 0.3 . 1 . . . . . . . . 5929 1 827 . 1 1 70 70 LYS N N 15 121.4 0.3 . 1 . . . . . . . . 5929 1 828 . 1 1 70 70 LYS H H 1 8.41 0.03 . 1 . . . . . . . . 5929 1 829 . 1 1 70 70 LYS CA C 13 54.4 0.3 . 1 . . . . . . . . 5929 1 830 . 1 1 70 70 LYS HA H 1 4.12 0.03 . 1 . . . . . . . . 5929 1 831 . 1 1 70 70 LYS CB C 13 29.9 0.3 . 1 . . . . . . . . 5929 1 832 . 1 1 70 70 LYS HB2 H 1 1.77 0.03 . 2 . . . . . . . . 5929 1 833 . 1 1 70 70 LYS HB3 H 1 1.71 0.03 . 2 . . . . . . . . 5929 1 834 . 1 1 70 70 LYS CG C 13 22.0 0.3 . 1 . . . . . . . . 5929 1 835 . 1 1 70 70 LYS HG2 H 1 1.37 0.03 . 1 . . . . . . . . 5929 1 836 . 1 1 70 70 LYS HG3 H 1 1.37 0.03 . 1 . . . . . . . . 5929 1 837 . 1 1 70 70 LYS CD C 13 26.2 0.3 . 1 . . . . . . . . 5929 1 838 . 1 1 70 70 LYS HD2 H 1 1.60 0.03 . 1 . . . . . . . . 5929 1 839 . 1 1 70 70 LYS HD3 H 1 1.60 0.03 . 1 . . . . . . . . 5929 1 840 . 1 1 70 70 LYS CE C 13 39.4 0.3 . 1 . . . . . . . . 5929 1 841 . 1 1 70 70 LYS HE2 H 1 2.92 0.03 . 1 . . . . . . . . 5929 1 842 . 1 1 70 70 LYS HE3 H 1 2.92 0.03 . 1 . . . . . . . . 5929 1 843 . 1 1 70 70 LYS C C 13 173.7 0.3 . 1 . . . . . . . . 5929 1 844 . 1 1 71 71 ASP N N 15 117.5 0.3 . 1 . . . . . . . . 5929 1 845 . 1 1 71 71 ASP H H 1 8.70 0.03 . 1 . . . . . . . . 5929 1 846 . 1 1 71 71 ASP CA C 13 48.6 0.3 . 1 . . . . . . . . 5929 1 847 . 1 1 71 71 ASP HA H 1 4.94 0.03 . 1 . . . . . . . . 5929 1 848 . 1 1 71 71 ASP CB C 13 38.1 0.3 . 1 . . . . . . . . 5929 1 849 . 1 1 71 71 ASP HB2 H 1 2.65 0.03 . 2 . . . . . . . . 5929 1 850 . 1 1 71 71 ASP HB3 H 1 2.30 0.03 . 2 . . . . . . . . 5929 1 851 . 1 1 71 71 ASP C C 13 171.8 0.3 . 1 . . . . . . . . 5929 1 852 . 1 1 72 72 PRO N N 15 115.3 0.3 . 1 . . . . . . . . 5929 1 853 . 1 1 72 72 PRO CD C 13 47.8 0.3 . 1 . . . . . . . . 5929 1 854 . 1 1 72 72 PRO CA C 13 63.6 0.3 . 1 . . . . . . . . 5929 1 855 . 1 1 72 72 PRO HA H 1 3.30 0.03 . 1 . . . . . . . . 5929 1 856 . 1 1 72 72 PRO CB C 13 27.1 0.3 . 1 . . . . . . . . 5929 1 857 . 1 1 72 72 PRO HB2 H 1 0.83 0.03 . 2 . . . . . . . . 5929 1 858 . 1 1 72 72 PRO HB3 H 1 0.31 0.03 . 2 . . . . . . . . 5929 1 859 . 1 1 72 72 PRO CG C 13 24.7 0.3 . 1 . . . . . . . . 5929 1 860 . 1 1 72 72 PRO HG2 H 1 1.72 0.03 . 2 . . . . . . . . 5929 1 861 . 1 1 72 72 PRO HG3 H 1 1.46 0.03 . 2 . . . . . . . . 5929 1 862 . 1 1 72 72 PRO HD2 H 1 3.58 0.03 . 2 . . . . . . . . 5929 1 863 . 1 1 72 72 PRO HD3 H 1 3.31 0.03 . 2 . . . . . . . . 5929 1 864 . 1 1 72 72 PRO C C 13 174.8 0.3 . 1 . . . . . . . . 5929 1 865 . 1 1 73 73 GLU N N 15 115.4 0.3 . 1 . . . . . . . . 5929 1 866 . 1 1 73 73 GLU H H 1 8.61 0.03 . 1 . . . . . . . . 5929 1 867 . 1 1 73 73 GLU CA C 13 55.9 0.3 . 1 . . . . . . . . 5929 1 868 . 1 1 73 73 GLU HA H 1 3.95 0.03 . 1 . . . . . . . . 5929 1 869 . 1 1 73 73 GLU CB C 13 26.1 0.3 . 1 . . . . . . . . 5929 1 870 . 1 1 73 73 GLU HB2 H 1 1.87 0.03 . 2 . . . . . . . . 5929 1 871 . 1 1 73 73 GLU HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5929 1 872 . 1 1 73 73 GLU CG C 13 33.2 0.3 . 1 . . . . . . . . 5929 1 873 . 1 1 73 73 GLU HG2 H 1 2.12 0.03 . 1 . . . . . . . . 5929 1 874 . 1 1 73 73 GLU HG3 H 1 2.12 0.03 . 1 . . . . . . . . 5929 1 875 . 1 1 73 73 GLU C C 13 173.7 0.3 . 1 . . . . . . . . 5929 1 876 . 1 1 74 74 ASN N N 15 114.0 0.3 . 1 . . . . . . . . 5929 1 877 . 1 1 74 74 ASN H H 1 7.15 0.03 . 1 . . . . . . . . 5929 1 878 . 1 1 74 74 ASN CA C 13 49.8 0.3 . 1 . . . . . . . . 5929 1 879 . 1 1 74 74 ASN HA H 1 4.96 0.03 . 1 . . . . . . . . 5929 1 880 . 1 1 74 74 ASN CB C 13 37.9 0.3 . 1 . . . . . . . . 5929 1 881 . 1 1 74 74 ASN HB2 H 1 2.82 0.03 . 2 . . . . . . . . 5929 1 882 . 1 1 74 74 ASN HB3 H 1 2.42 0.03 . 2 . . . . . . . . 5929 1 883 . 1 1 74 74 ASN ND2 N 15 117.3 0.3 . 1 . . . . . . . . 5929 1 884 . 1 1 74 74 ASN HD21 H 1 8.55 0.03 . 2 . . . . . . . . 5929 1 885 . 1 1 74 74 ASN HD22 H 1 6.81 0.03 . 2 . . . . . . . . 5929 1 886 . 1 1 74 74 ASN C C 13 172.3 0.3 . 1 . . . . . . . . 5929 1 887 . 1 1 75 75 THR N N 15 118.3 0.3 . 1 . . . . . . . . 5929 1 888 . 1 1 75 75 THR H H 1 7.95 0.03 . 1 . . . . . . . . 5929 1 889 . 1 1 75 75 THR CA C 13 61.3 0.3 . 1 . . . . . . . . 5929 1 890 . 1 1 75 75 THR HA H 1 4.67 0.03 . 1 . . . . . . . . 5929 1 891 . 1 1 75 75 THR CB C 13 67.8 0.3 . 1 . . . . . . . . 5929 1 892 . 1 1 75 75 THR HB H 1 4.15 0.03 . 1 . . . . . . . . 5929 1 893 . 1 1 75 75 THR HG21 H 1 1.00 0.03 . 1 . . . . . . . . 5929 1 894 . 1 1 75 75 THR HG22 H 1 1.00 0.03 . 1 . . . . . . . . 5929 1 895 . 1 1 75 75 THR HG23 H 1 1.00 0.03 . 1 . . . . . . . . 5929 1 896 . 1 1 75 75 THR HG1 H 1 5.20 0.03 . 1 . . . . . . . . 5929 1 897 . 1 1 75 75 THR CG2 C 13 18.2 0.3 . 1 . . . . . . . . 5929 1 898 . 1 1 75 75 THR C C 13 169.6 0.3 . 1 . . . . . . . . 5929 1 899 . 1 1 76 76 THR N N 15 124.3 0.3 . 1 . . . . . . . . 5929 1 900 . 1 1 76 76 THR H H 1 8.10 0.03 . 1 . . . . . . . . 5929 1 901 . 1 1 76 76 THR CA C 13 58.5 0.3 . 1 . . . . . . . . 5929 1 902 . 1 1 76 76 THR HA H 1 4.88 0.03 . 1 . . . . . . . . 5929 1 903 . 1 1 76 76 THR CB C 13 68.0 0.3 . 1 . . . . . . . . 5929 1 904 . 1 1 76 76 THR HB H 1 3.61 0.03 . 1 . . . . . . . . 5929 1 905 . 1 1 76 76 THR HG21 H 1 0.91 0.03 . 1 . . . . . . . . 5929 1 906 . 1 1 76 76 THR HG22 H 1 0.91 0.03 . 1 . . . . . . . . 5929 1 907 . 1 1 76 76 THR HG23 H 1 0.91 0.03 . 1 . . . . . . . . 5929 1 908 . 1 1 76 76 THR CG2 C 13 18.8 0.3 . 1 . . . . . . . . 5929 1 909 . 1 1 76 76 THR C C 13 170.6 0.3 . 1 . . . . . . . . 5929 1 910 . 1 1 77 77 LEU N N 15 124.3 0.3 . 1 . . . . . . . . 5929 1 911 . 1 1 77 77 LEU H H 1 7.67 0.03 . 1 . . . . . . . . 5929 1 912 . 1 1 77 77 LEU CA C 13 50.0 0.3 . 1 . . . . . . . . 5929 1 913 . 1 1 77 77 LEU HA H 1 5.03 0.03 . 1 . . . . . . . . 5929 1 914 . 1 1 77 77 LEU CB C 13 42.2 0.3 . 1 . . . . . . . . 5929 1 915 . 1 1 77 77 LEU HB2 H 1 1.20 0.03 . 2 . . . . . . . . 5929 1 916 . 1 1 77 77 LEU HB3 H 1 0.81 0.03 . 2 . . . . . . . . 5929 1 917 . 1 1 77 77 LEU CG C 13 23.5 0.3 . 1 . . . . . . . . 5929 1 918 . 1 1 77 77 LEU HG H 1 0.93 0.03 . 1 . . . . . . . . 5929 1 919 . 1 1 77 77 LEU HD11 H 1 -0.03 0.03 . 2 . . . . . . . . 5929 1 920 . 1 1 77 77 LEU HD12 H 1 -0.03 0.03 . 2 . . . . . . . . 5929 1 921 . 1 1 77 77 LEU HD13 H 1 -0.03 0.03 . 2 . . . . . . . . 5929 1 922 . 1 1 77 77 LEU HD21 H 1 -0.27 0.03 . 2 . . . . . . . . 5929 1 923 . 1 1 77 77 LEU HD22 H 1 -0.27 0.03 . 2 . . . . . . . . 5929 1 924 . 1 1 77 77 LEU HD23 H 1 -0.27 0.03 . 2 . . . . . . . . 5929 1 925 . 1 1 77 77 LEU CD1 C 13 21.7 0.3 . 1 . . . . . . . . 5929 1 926 . 1 1 77 77 LEU CD2 C 13 22.1 0.3 . 1 . . . . . . . . 5929 1 927 . 1 1 77 77 LEU C C 13 172.1 0.3 . 1 . . . . . . . . 5929 1 928 . 1 1 78 78 TYR N N 15 122.8 0.3 . 1 . . . . . . . . 5929 1 929 . 1 1 78 78 TYR H H 1 8.91 0.03 . 1 . . . . . . . . 5929 1 930 . 1 1 78 78 TYR CA C 13 55.1 0.3 . 1 . . . . . . . . 5929 1 931 . 1 1 78 78 TYR HA H 1 5.08 0.03 . 1 . . . . . . . . 5929 1 932 . 1 1 78 78 TYR CB C 13 37.3 0.3 . 1 . . . . . . . . 5929 1 933 . 1 1 78 78 TYR HB2 H 1 2.72 0.03 . 2 . . . . . . . . 5929 1 934 . 1 1 78 78 TYR HB3 H 1 2.59 0.03 . 2 . . . . . . . . 5929 1 935 . 1 1 78 78 TYR HD1 H 1 6.87 0.03 . 1 . . . . . . . . 5929 1 936 . 1 1 78 78 TYR HD2 H 1 6.87 0.03 . 1 . . . . . . . . 5929 1 937 . 1 1 78 78 TYR HE1 H 1 6.20 0.03 . 1 . . . . . . . . 5929 1 938 . 1 1 78 78 TYR HE2 H 1 6.20 0.03 . 1 . . . . . . . . 5929 1 939 . 1 1 78 78 TYR CD1 C 13 129.9 0.3 . 1 . . . . . . . . 5929 1 940 . 1 1 78 78 TYR CE1 C 13 114.9 0.3 . 1 . . . . . . . . 5929 1 941 . 1 1 78 78 TYR C C 13 172.6 0.3 . 1 . . . . . . . . 5929 1 942 . 1 1 79 79 ILE N N 15 123.1 0.3 . 1 . . . . . . . . 5929 1 943 . 1 1 79 79 ILE H H 1 8.82 0.03 . 1 . . . . . . . . 5929 1 944 . 1 1 79 79 ILE CA C 13 58.3 0.3 . 1 . . . . . . . . 5929 1 945 . 1 1 79 79 ILE HA H 1 4.92 0.03 . 1 . . . . . . . . 5929 1 946 . 1 1 79 79 ILE CB C 13 37.1 0.3 . 1 . . . . . . . . 5929 1 947 . 1 1 79 79 ILE HB H 1 1.67 0.03 . 1 . . . . . . . . 5929 1 948 . 1 1 79 79 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 5929 1 949 . 1 1 79 79 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 5929 1 950 . 1 1 79 79 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 5929 1 951 . 1 1 79 79 ILE CG2 C 13 16.5 0.3 . 1 . . . . . . . . 5929 1 952 . 1 1 79 79 ILE CG1 C 13 25.1 0.3 . 1 . . . . . . . . 5929 1 953 . 1 1 79 79 ILE HG12 H 1 1.19 0.03 . 2 . . . . . . . . 5929 1 954 . 1 1 79 79 ILE HG13 H 1 0.96 0.03 . 2 . . . . . . . . 5929 1 955 . 1 1 79 79 ILE HD11 H 1 0.50 0.03 . 1 . . . . . . . . 5929 1 956 . 1 1 79 79 ILE HD12 H 1 0.50 0.03 . 1 . . . . . . . . 5929 1 957 . 1 1 79 79 ILE HD13 H 1 0.50 0.03 . 1 . . . . . . . . 5929 1 958 . 1 1 79 79 ILE CD1 C 13 11.4 0.3 . 1 . . . . . . . . 5929 1 959 . 1 1 79 79 ILE C C 13 170.4 0.3 . 1 . . . . . . . . 5929 1 960 . 1 1 80 80 LEU N N 15 129.1 0.3 . 1 . . . . . . . . 5929 1 961 . 1 1 80 80 LEU H H 1 9.04 0.03 . 1 . . . . . . . . 5929 1 962 . 1 1 80 80 LEU CA C 13 51.6 0.3 . 1 . . . . . . . . 5929 1 963 . 1 1 80 80 LEU HA H 1 4.66 0.03 . 1 . . . . . . . . 5929 1 964 . 1 1 80 80 LEU CB C 13 44.1 0.3 . 1 . . . . . . . . 5929 1 965 . 1 1 80 80 LEU HB2 H 1 1.91 0.03 . 2 . . . . . . . . 5929 1 966 . 1 1 80 80 LEU HB3 H 1 1.11 0.03 . 2 . . . . . . . . 5929 1 967 . 1 1 80 80 LEU CG C 13 23.8 0.3 . 1 . . . . . . . . 5929 1 968 . 1 1 80 80 LEU HG H 1 1.65 0.03 . 1 . . . . . . . . 5929 1 969 . 1 1 80 80 LEU HD11 H 1 0.83 0.03 . 2 . . . . . . . . 5929 1 970 . 1 1 80 80 LEU HD12 H 1 0.83 0.03 . 2 . . . . . . . . 5929 1 971 . 1 1 80 80 LEU HD13 H 1 0.83 0.03 . 2 . . . . . . . . 5929 1 972 . 1 1 80 80 LEU HD21 H 1 0.45 0.03 . 2 . . . . . . . . 5929 1 973 . 1 1 80 80 LEU HD22 H 1 0.45 0.03 . 2 . . . . . . . . 5929 1 974 . 1 1 80 80 LEU HD23 H 1 0.45 0.03 . 2 . . . . . . . . 5929 1 975 . 1 1 80 80 LEU CD1 C 13 22.7 0.3 . 1 . . . . . . . . 5929 1 976 . 1 1 80 80 LEU CD2 C 13 23.9 0.3 . 1 . . . . . . . . 5929 1 977 . 1 1 80 80 LEU C C 13 169.6 0.3 . 1 . . . . . . . . 5929 1 978 . 1 1 81 81 ASP N N 15 127.6 0.3 . 1 . . . . . . . . 5929 1 979 . 1 1 81 81 ASP H H 1 8.14 0.03 . 1 . . . . . . . . 5929 1 980 . 1 1 81 81 ASP CA C 13 48.4 0.3 . 1 . . . . . . . . 5929 1 981 . 1 1 81 81 ASP HA H 1 5.10 0.03 . 1 . . . . . . . . 5929 1 982 . 1 1 81 81 ASP CB C 13 41.2 0.3 . 1 . . . . . . . . 5929 1 983 . 1 1 81 81 ASP HB2 H 1 3.14 0.03 . 2 . . . . . . . . 5929 1 984 . 1 1 81 81 ASP HB3 H 1 2.64 0.03 . 2 . . . . . . . . 5929 1 985 . 1 1 81 81 ASP C C 13 173.0 0.3 . 1 . . . . . . . . 5929 1 986 . 1 1 82 82 LYS N N 15 125.3 0.3 . 1 . . . . . . . . 5929 1 987 . 1 1 82 82 LYS H H 1 9.61 0.03 . 1 . . . . . . . . 5929 1 988 . 1 1 82 82 LYS CA C 13 58.5 0.3 . 1 . . . . . . . . 5929 1 989 . 1 1 82 82 LYS HA H 1 3.65 0.03 . 1 . . . . . . . . 5929 1 990 . 1 1 82 82 LYS CB C 13 30.8 0.3 . 1 . . . . . . . . 5929 1 991 . 1 1 82 82 LYS HB2 H 1 1.75 0.03 . 2 . . . . . . . . 5929 1 992 . 1 1 82 82 LYS HB3 H 1 1.67 0.03 . 2 . . . . . . . . 5929 1 993 . 1 1 82 82 LYS CG C 13 21.0 0.3 . 1 . . . . . . . . 5929 1 994 . 1 1 82 82 LYS HG2 H 1 -0.02 0.03 . 1 . . . . . . . . 5929 1 995 . 1 1 82 82 LYS HG3 H 1 -0.02 0.03 . 1 . . . . . . . . 5929 1 996 . 1 1 82 82 LYS CD C 13 27.5 0.3 . 1 . . . . . . . . 5929 1 997 . 1 1 82 82 LYS HD2 H 1 1.67 0.03 . 2 . . . . . . . . 5929 1 998 . 1 1 82 82 LYS HD3 H 1 1.59 0.03 . 2 . . . . . . . . 5929 1 999 . 1 1 82 82 LYS CE C 13 39.0 0.3 . 1 . . . . . . . . 5929 1 1000 . 1 1 82 82 LYS HE2 H 1 3.11 0.03 . 2 . . . . . . . . 5929 1 1001 . 1 1 82 82 LYS HE3 H 1 2.60 0.03 . 2 . . . . . . . . 5929 1 1002 . 1 1 82 82 LYS C C 13 172.6 0.3 . 1 . . . . . . . . 5929 1 1003 . 1 1 83 83 PHE N N 15 116.7 0.3 . 1 . . . . . . . . 5929 1 1004 . 1 1 83 83 PHE H H 1 7.54 0.03 . 1 . . . . . . . . 5929 1 1005 . 1 1 83 83 PHE CA C 13 52.2 0.3 . 1 . . . . . . . . 5929 1 1006 . 1 1 83 83 PHE HA H 1 4.90 0.03 . 1 . . . . . . . . 5929 1 1007 . 1 1 83 83 PHE CB C 13 37.0 0.3 . 1 . . . . . . . . 5929 1 1008 . 1 1 83 83 PHE HB2 H 1 3.48 0.03 . 2 . . . . . . . . 5929 1 1009 . 1 1 83 83 PHE HB3 H 1 2.69 0.03 . 2 . . . . . . . . 5929 1 1010 . 1 1 83 83 PHE HD1 H 1 7.03 0.03 . 1 . . . . . . . . 5929 1 1011 . 1 1 83 83 PHE HD2 H 1 7.03 0.03 . 1 . . . . . . . . 5929 1 1012 . 1 1 83 83 PHE CD1 C 13 129.1 0.3 . 1 . . . . . . . . 5929 1 1013 . 1 1 83 83 PHE C C 13 174.2 0.3 . 1 . . . . . . . . 5929 1 1014 . 1 1 84 84 ASP N N 15 123.7 0.3 . 1 . . . . . . . . 5929 1 1015 . 1 1 84 84 ASP H H 1 8.44 0.03 . 1 . . . . . . . . 5929 1 1016 . 1 1 84 84 ASP CA C 13 57.0 0.3 . 1 . . . . . . . . 5929 1 1017 . 1 1 84 84 ASP HA H 1 4.41 0.03 . 1 . . . . . . . . 5929 1 1018 . 1 1 84 84 ASP CB C 13 37.7 0.3 . 1 . . . . . . . . 5929 1 1019 . 1 1 84 84 ASP HB2 H 1 2.70 0.03 . 1 . . . . . . . . 5929 1 1020 . 1 1 84 84 ASP HB3 H 1 2.70 0.03 . 1 . . . . . . . . 5929 1 1021 . 1 1 84 84 ASP C C 13 176.2 0.3 . 1 . . . . . . . . 5929 1 1022 . 1 1 85 85 GLY N N 15 103.2 0.3 . 1 . . . . . . . . 5929 1 1023 . 1 1 85 85 GLY H H 1 8.24 0.03 . 1 . . . . . . . . 5929 1 1024 . 1 1 85 85 GLY CA C 13 44.6 0.3 . 1 . . . . . . . . 5929 1 1025 . 1 1 85 85 GLY HA2 H 1 3.90 0.03 . 2 . . . . . . . . 5929 1 1026 . 1 1 85 85 GLY HA3 H 1 3.65 0.03 . 2 . . . . . . . . 5929 1 1027 . 1 1 85 85 GLY C C 13 173.0 0.3 . 1 . . . . . . . . 5929 1 1028 . 1 1 86 86 ASN N N 15 124.0 0.3 . 1 . . . . . . . . 5929 1 1029 . 1 1 86 86 ASN H H 1 9.76 0.03 . 1 . . . . . . . . 5929 1 1030 . 1 1 86 86 ASN CA C 13 50.4 0.3 . 1 . . . . . . . . 5929 1 1031 . 1 1 86 86 ASN HA H 1 5.04 0.03 . 1 . . . . . . . . 5929 1 1032 . 1 1 86 86 ASN CB C 13 37.1 0.3 . 1 . . . . . . . . 5929 1 1033 . 1 1 86 86 ASN HB2 H 1 2.56 0.03 . 2 . . . . . . . . 5929 1 1034 . 1 1 86 86 ASN HB3 H 1 2.32 0.03 . 2 . . . . . . . . 5929 1 1035 . 1 1 86 86 ASN ND2 N 15 118.4 0.3 . 1 . . . . . . . . 5929 1 1036 . 1 1 86 86 ASN HD21 H 1 8.77 0.03 . 2 . . . . . . . . 5929 1 1037 . 1 1 86 86 ASN HD22 H 1 7.11 0.03 . 2 . . . . . . . . 5929 1 1038 . 1 1 86 86 ASN C C 13 173.1 0.3 . 1 . . . . . . . . 5929 1 1039 . 1 1 87 87 SER N N 15 117.6 0.3 . 1 . . . . . . . . 5929 1 1040 . 1 1 87 87 SER H H 1 8.42 0.03 . 1 . . . . . . . . 5929 1 1041 . 1 1 87 87 SER CA C 13 61.0 0.3 . 1 . . . . . . . . 5929 1 1042 . 1 1 87 87 SER HA H 1 3.74 0.03 . 1 . . . . . . . . 5929 1 1043 . 1 1 87 87 SER CB C 13 59.7 0.3 . 1 . . . . . . . . 5929 1 1044 . 1 1 87 87 SER HB2 H 1 3.96 0.03 . 2 . . . . . . . . 5929 1 1045 . 1 1 87 87 SER HB3 H 1 3.77 0.03 . 2 . . . . . . . . 5929 1 1046 . 1 1 87 87 SER C C 13 173.0 0.3 . 1 . . . . . . . . 5929 1 1047 . 1 1 88 88 GLU N N 15 122.5 0.3 . 1 . . . . . . . . 5929 1 1048 . 1 1 88 88 GLU H H 1 8.81 0.03 . 1 . . . . . . . . 5929 1 1049 . 1 1 88 88 GLU CA C 13 57.6 0.3 . 1 . . . . . . . . 5929 1 1050 . 1 1 88 88 GLU HA H 1 3.77 0.03 . 1 . . . . . . . . 5929 1 1051 . 1 1 88 88 GLU CB C 13 26.2 0.3 . 1 . . . . . . . . 5929 1 1052 . 1 1 88 88 GLU HB2 H 1 1.86 0.03 . 1 . . . . . . . . 5929 1 1053 . 1 1 88 88 GLU HB3 H 1 1.86 0.03 . 1 . . . . . . . . 5929 1 1054 . 1 1 88 88 GLU CG C 13 34.3 0.3 . 1 . . . . . . . . 5929 1 1055 . 1 1 88 88 GLU HG2 H 1 2.15 0.03 . 2 . . . . . . . . 5929 1 1056 . 1 1 88 88 GLU HG3 H 1 2.00 0.03 . 2 . . . . . . . . 5929 1 1057 . 1 1 88 88 GLU C C 13 175.9 0.3 . 1 . . . . . . . . 5929 1 1058 . 1 1 89 89 LEU N N 15 122.5 0.3 . 1 . . . . . . . . 5929 1 1059 . 1 1 89 89 LEU H H 1 7.62 0.03 . 1 . . . . . . . . 5929 1 1060 . 1 1 89 89 LEU CA C 13 55.4 0.3 . 1 . . . . . . . . 5929 1 1061 . 1 1 89 89 LEU HA H 1 3.96 0.03 . 1 . . . . . . . . 5929 1 1062 . 1 1 89 89 LEU CB C 13 38.9 0.3 . 1 . . . . . . . . 5929 1 1063 . 1 1 89 89 LEU HB2 H 1 1.66 0.03 . 2 . . . . . . . . 5929 1 1064 . 1 1 89 89 LEU HB3 H 1 1.42 0.03 . 2 . . . . . . . . 5929 1 1065 . 1 1 89 89 LEU CG C 13 24.3 0.3 . 1 . . . . . . . . 5929 1 1066 . 1 1 89 89 LEU HG H 1 1.58 0.03 . 1 . . . . . . . . 5929 1 1067 . 1 1 89 89 LEU HD11 H 1 0.87 0.03 . 2 . . . . . . . . 5929 1 1068 . 1 1 89 89 LEU HD12 H 1 0.87 0.03 . 2 . . . . . . . . 5929 1 1069 . 1 1 89 89 LEU HD13 H 1 0.87 0.03 . 2 . . . . . . . . 5929 1 1070 . 1 1 89 89 LEU HD21 H 1 0.73 0.03 . 2 . . . . . . . . 5929 1 1071 . 1 1 89 89 LEU HD22 H 1 0.73 0.03 . 2 . . . . . . . . 5929 1 1072 . 1 1 89 89 LEU HD23 H 1 0.73 0.03 . 2 . . . . . . . . 5929 1 1073 . 1 1 89 89 LEU CD1 C 13 22.9 0.3 . 1 . . . . . . . . 5929 1 1074 . 1 1 89 89 LEU CD2 C 13 21.5 0.3 . 1 . . . . . . . . 5929 1 1075 . 1 1 89 89 LEU C C 13 177.8 0.3 . 1 . . . . . . . . 5929 1 1076 . 1 1 90 90 VAL N N 15 120.6 0.3 . 1 . . . . . . . . 5929 1 1077 . 1 1 90 90 VAL H H 1 8.25 0.03 . 1 . . . . . . . . 5929 1 1078 . 1 1 90 90 VAL CA C 13 63.9 0.3 . 1 . . . . . . . . 5929 1 1079 . 1 1 90 90 VAL HA H 1 3.10 0.03 . 1 . . . . . . . . 5929 1 1080 . 1 1 90 90 VAL CB C 13 28.3 0.3 . 1 . . . . . . . . 5929 1 1081 . 1 1 90 90 VAL HB H 1 1.71 0.03 . 1 . . . . . . . . 5929 1 1082 . 1 1 90 90 VAL HG11 H 1 0.71 0.03 . 2 . . . . . . . . 5929 1 1083 . 1 1 90 90 VAL HG12 H 1 0.71 0.03 . 2 . . . . . . . . 5929 1 1084 . 1 1 90 90 VAL HG13 H 1 0.71 0.03 . 2 . . . . . . . . 5929 1 1085 . 1 1 90 90 VAL HG21 H 1 -0.11 0.03 . 2 . . . . . . . . 5929 1 1086 . 1 1 90 90 VAL HG22 H 1 -0.11 0.03 . 2 . . . . . . . . 5929 1 1087 . 1 1 90 90 VAL HG23 H 1 -0.11 0.03 . 2 . . . . . . . . 5929 1 1088 . 1 1 90 90 VAL CG1 C 13 20.2 0.3 . 1 . . . . . . . . 5929 1 1089 . 1 1 90 90 VAL CG2 C 13 20.6 0.3 . 1 . . . . . . . . 5929 1 1090 . 1 1 90 90 VAL C C 13 173.9 0.3 . 1 . . . . . . . . 5929 1 1091 . 1 1 91 91 ALA N N 15 122.8 0.3 . 1 . . . . . . . . 5929 1 1092 . 1 1 91 91 ALA H H 1 8.46 0.03 . 1 . . . . . . . . 5929 1 1093 . 1 1 91 91 ALA CA C 13 52.3 0.3 . 1 . . . . . . . . 5929 1 1094 . 1 1 91 91 ALA HA H 1 3.47 0.03 . 1 . . . . . . . . 5929 1 1095 . 1 1 91 91 ALA HB1 H 1 1.12 0.03 . 1 . . . . . . . . 5929 1 1096 . 1 1 91 91 ALA HB2 H 1 1.12 0.03 . 1 . . . . . . . . 5929 1 1097 . 1 1 91 91 ALA HB3 H 1 1.12 0.03 . 1 . . . . . . . . 5929 1 1098 . 1 1 91 91 ALA CB C 13 14.1 0.3 . 1 . . . . . . . . 5929 1 1099 . 1 1 91 91 ALA C C 13 176.3 0.3 . 1 . . . . . . . . 5929 1 1100 . 1 1 92 92 GLU N N 15 117.1 0.3 . 1 . . . . . . . . 5929 1 1101 . 1 1 92 92 GLU H H 1 7.50 0.03 . 1 . . . . . . . . 5929 1 1102 . 1 1 92 92 GLU CA C 13 56.4 0.3 . 1 . . . . . . . . 5929 1 1103 . 1 1 92 92 GLU HA H 1 3.81 0.03 . 1 . . . . . . . . 5929 1 1104 . 1 1 92 92 GLU CB C 13 27.0 0.3 . 1 . . . . . . . . 5929 1 1105 . 1 1 92 92 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 5929 1 1106 . 1 1 92 92 GLU HB3 H 1 1.98 0.03 . 1 . . . . . . . . 5929 1 1107 . 1 1 92 92 GLU CG C 13 33.4 0.3 . 1 . . . . . . . . 5929 1 1108 . 1 1 92 92 GLU HG2 H 1 2.26 0.03 . 2 . . . . . . . . 5929 1 1109 . 1 1 92 92 GLU HG3 H 1 2.08 0.03 . 2 . . . . . . . . 5929 1 1110 . 1 1 92 92 GLU C C 13 175.2 0.3 . 1 . . . . . . . . 5929 1 1111 . 1 1 93 93 LEU N N 15 119.2 0.3 . 1 . . . . . . . . 5929 1 1112 . 1 1 93 93 LEU H H 1 7.76 0.03 . 1 . . . . . . . . 5929 1 1113 . 1 1 93 93 LEU CA C 13 55.5 0.3 . 1 . . . . . . . . 5929 1 1114 . 1 1 93 93 LEU HA H 1 4.00 0.03 . 1 . . . . . . . . 5929 1 1115 . 1 1 93 93 LEU CB C 13 40.4 0.3 . 1 . . . . . . . . 5929 1 1116 . 1 1 93 93 LEU HB2 H 1 1.88 0.03 . 2 . . . . . . . . 5929 1 1117 . 1 1 93 93 LEU HB3 H 1 1.64 0.03 . 2 . . . . . . . . 5929 1 1118 . 1 1 93 93 LEU CG C 13 24.2 0.3 . 1 . . . . . . . . 5929 1 1119 . 1 1 93 93 LEU HG H 1 1.59 0.03 . 1 . . . . . . . . 5929 1 1120 . 1 1 93 93 LEU HD11 H 1 0.94 0.03 . 2 . . . . . . . . 5929 1 1121 . 1 1 93 93 LEU HD12 H 1 0.94 0.03 . 2 . . . . . . . . 5929 1 1122 . 1 1 93 93 LEU HD13 H 1 0.94 0.03 . 2 . . . . . . . . 5929 1 1123 . 1 1 93 93 LEU HD21 H 1 0.91 0.03 . 2 . . . . . . . . 5929 1 1124 . 1 1 93 93 LEU HD22 H 1 0.91 0.03 . 2 . . . . . . . . 5929 1 1125 . 1 1 93 93 LEU HD23 H 1 0.91 0.03 . 2 . . . . . . . . 5929 1 1126 . 1 1 93 93 LEU CD1 C 13 23.0 0.3 . 1 . . . . . . . . 5929 1 1127 . 1 1 93 93 LEU CD2 C 13 21.3 0.3 . 1 . . . . . . . . 5929 1 1128 . 1 1 93 93 LEU C C 13 177.9 0.3 . 1 . . . . . . . . 5929 1 1129 . 1 1 94 94 VAL N N 15 113.3 0.3 . 1 . . . . . . . . 5929 1 1130 . 1 1 94 94 VAL H H 1 8.85 0.03 . 1 . . . . . . . . 5929 1 1131 . 1 1 94 94 VAL CA C 13 63.0 0.3 . 1 . . . . . . . . 5929 1 1132 . 1 1 94 94 VAL HA H 1 3.73 0.03 . 1 . . . . . . . . 5929 1 1133 . 1 1 94 94 VAL CB C 13 27.4 0.3 . 1 . . . . . . . . 5929 1 1134 . 1 1 94 94 VAL HB H 1 1.80 0.03 . 1 . . . . . . . . 5929 1 1135 . 1 1 94 94 VAL HG11 H 1 0.46 0.03 . 2 . . . . . . . . 5929 1 1136 . 1 1 94 94 VAL HG12 H 1 0.46 0.03 . 2 . . . . . . . . 5929 1 1137 . 1 1 94 94 VAL HG13 H 1 0.46 0.03 . 2 . . . . . . . . 5929 1 1138 . 1 1 94 94 VAL HG21 H 1 0.61 0.03 . 2 . . . . . . . . 5929 1 1139 . 1 1 94 94 VAL HG22 H 1 0.61 0.03 . 2 . . . . . . . . 5929 1 1140 . 1 1 94 94 VAL HG23 H 1 0.61 0.03 . 2 . . . . . . . . 5929 1 1141 . 1 1 94 94 VAL CG1 C 13 19.0 0.3 . 1 . . . . . . . . 5929 1 1142 . 1 1 94 94 VAL CG2 C 13 17.7 0.3 . 1 . . . . . . . . 5929 1 1143 . 1 1 94 94 VAL C C 13 175.5 0.3 . 1 . . . . . . . . 5929 1 1144 . 1 1 95 95 ALA N N 15 124.2 0.3 . 1 . . . . . . . . 5929 1 1145 . 1 1 95 95 ALA H H 1 7.47 0.03 . 1 . . . . . . . . 5929 1 1146 . 1 1 95 95 ALA CA C 13 51.7 0.3 . 1 . . . . . . . . 5929 1 1147 . 1 1 95 95 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 5929 1 1148 . 1 1 95 95 ALA HB1 H 1 1.29 0.03 . 1 . . . . . . . . 5929 1 1149 . 1 1 95 95 ALA HB2 H 1 1.29 0.03 . 1 . . . . . . . . 5929 1 1150 . 1 1 95 95 ALA HB3 H 1 1.29 0.03 . 1 . . . . . . . . 5929 1 1151 . 1 1 95 95 ALA CB C 13 15.3 0.3 . 1 . . . . . . . . 5929 1 1152 . 1 1 95 95 ALA C C 13 177.2 0.3 . 1 . . . . . . . . 5929 1 1153 . 1 1 96 96 LEU N N 15 117.3 0.3 . 1 . . . . . . . . 5929 1 1154 . 1 1 96 96 LEU H H 1 7.55 0.03 . 1 . . . . . . . . 5929 1 1155 . 1 1 96 96 LEU CA C 13 53.2 0.3 . 1 . . . . . . . . 5929 1 1156 . 1 1 96 96 LEU HA H 1 4.29 0.03 . 1 . . . . . . . . 5929 1 1157 . 1 1 96 96 LEU CB C 13 40.0 0.3 . 1 . . . . . . . . 5929 1 1158 . 1 1 96 96 LEU HB2 H 1 1.75 0.03 . 2 . . . . . . . . 5929 1 1159 . 1 1 96 96 LEU HB3 H 1 1.60 0.03 . 2 . . . . . . . . 5929 1 1160 . 1 1 96 96 LEU CG C 13 24.2 0.3 . 1 . . . . . . . . 5929 1 1161 . 1 1 96 96 LEU HG H 1 1.75 0.03 . 1 . . . . . . . . 5929 1 1162 . 1 1 96 96 LEU HD11 H 1 0.82 0.03 . 1 . . . . . . . . 5929 1 1163 . 1 1 96 96 LEU HD12 H 1 0.82 0.03 . 1 . . . . . . . . 5929 1 1164 . 1 1 96 96 LEU HD13 H 1 0.82 0.03 . 1 . . . . . . . . 5929 1 1165 . 1 1 96 96 LEU HD21 H 1 0.82 0.03 . 1 . . . . . . . . 5929 1 1166 . 1 1 96 96 LEU HD22 H 1 0.82 0.03 . 1 . . . . . . . . 5929 1 1167 . 1 1 96 96 LEU HD23 H 1 0.82 0.03 . 1 . . . . . . . . 5929 1 1168 . 1 1 96 96 LEU CD1 C 13 20.4 0.3 . 1 . . . . . . . . 5929 1 1169 . 1 1 96 96 LEU CD2 C 13 22.5 0.3 . 1 . . . . . . . . 5929 1 1170 . 1 1 96 96 LEU C C 13 175.1 0.3 . 1 . . . . . . . . 5929 1 1171 . 1 1 97 97 ASN N N 15 117.5 0.3 . 1 . . . . . . . . 5929 1 1172 . 1 1 97 97 ASN H H 1 7.44 0.03 . 1 . . . . . . . . 5929 1 1173 . 1 1 97 97 ASN CA C 13 50.9 0.3 . 1 . . . . . . . . 5929 1 1174 . 1 1 97 97 ASN HA H 1 4.87 0.03 . 1 . . . . . . . . 5929 1 1175 . 1 1 97 97 ASN CB C 13 38.1 0.3 . 1 . . . . . . . . 5929 1 1176 . 1 1 97 97 ASN HB2 H 1 2.98 0.03 . 2 . . . . . . . . 5929 1 1177 . 1 1 97 97 ASN HB3 H 1 2.48 0.03 . 2 . . . . . . . . 5929 1 1178 . 1 1 97 97 ASN ND2 N 15 116.9 0.3 . 1 . . . . . . . . 5929 1 1179 . 1 1 97 97 ASN HD21 H 1 8.19 0.03 . 2 . . . . . . . . 5929 1 1180 . 1 1 97 97 ASN HD22 H 1 7.36 0.03 . 2 . . . . . . . . 5929 1 1181 . 1 1 97 97 ASN C C 13 172.0 0.3 . 1 . . . . . . . . 5929 1 1182 . 1 1 98 98 GLY N N 15 104.7 0.3 . 1 . . . . . . . . 5929 1 1183 . 1 1 98 98 GLY H H 1 7.73 0.03 . 1 . . . . . . . . 5929 1 1184 . 1 1 98 98 GLY CA C 13 43.5 0.3 . 1 . . . . . . . . 5929 1 1185 . 1 1 98 98 GLY HA2 H 1 4.10 0.03 . 2 . . . . . . . . 5929 1 1186 . 1 1 98 98 GLY HA3 H 1 3.45 0.03 . 2 . . . . . . . . 5929 1 1187 . 1 1 98 98 GLY C C 13 172.1 0.3 . 1 . . . . . . . . 5929 1 1188 . 1 1 99 99 PHE N N 15 117.3 0.3 . 1 . . . . . . . . 5929 1 1189 . 1 1 99 99 PHE H H 1 7.34 0.03 . 1 . . . . . . . . 5929 1 1190 . 1 1 99 99 PHE CA C 13 55.0 0.3 . 1 . . . . . . . . 5929 1 1191 . 1 1 99 99 PHE HA H 1 4.45 0.03 . 1 . . . . . . . . 5929 1 1192 . 1 1 99 99 PHE CB C 13 35.7 0.3 . 1 . . . . . . . . 5929 1 1193 . 1 1 99 99 PHE HB2 H 1 2.67 0.03 . 2 . . . . . . . . 5929 1 1194 . 1 1 99 99 PHE HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5929 1 1195 . 1 1 99 99 PHE HD1 H 1 7.05 0.03 . 1 . . . . . . . . 5929 1 1196 . 1 1 99 99 PHE HD2 H 1 7.05 0.03 . 1 . . . . . . . . 5929 1 1197 . 1 1 99 99 PHE HE1 H 1 6.70 0.03 . 1 . . . . . . . . 5929 1 1198 . 1 1 99 99 PHE HE2 H 1 6.70 0.03 . 1 . . . . . . . . 5929 1 1199 . 1 1 99 99 PHE CD1 C 13 129.6 0.3 . 1 . . . . . . . . 5929 1 1200 . 1 1 99 99 PHE CE1 C 13 127.4 0.3 . 1 . . . . . . . . 5929 1 1201 . 1 1 99 99 PHE CZ C 13 126.5 0.3 . 1 . . . . . . . . 5929 1 1202 . 1 1 99 99 PHE HZ H 1 6.89 0.03 . 1 . . . . . . . . 5929 1 1203 . 1 1 99 99 PHE C C 13 173.4 0.3 . 1 . . . . . . . . 5929 1 1204 . 1 1 100 100 LYS N N 15 122.8 0.3 . 1 . . . . . . . . 5929 1 1205 . 1 1 100 100 LYS H H 1 7.69 0.03 . 1 . . . . . . . . 5929 1 1206 . 1 1 100 100 LYS CA C 13 57.3 0.3 . 1 . . . . . . . . 5929 1 1207 . 1 1 100 100 LYS HA H 1 3.71 0.03 . 1 . . . . . . . . 5929 1 1208 . 1 1 100 100 LYS CB C 13 30.0 0.3 . 1 . . . . . . . . 5929 1 1209 . 1 1 100 100 LYS HB2 H 1 1.68 0.03 . 2 . . . . . . . . 5929 1 1210 . 1 1 100 100 LYS HB3 H 1 1.45 0.03 . 2 . . . . . . . . 5929 1 1211 . 1 1 100 100 LYS CG C 13 21.8 0.3 . 1 . . . . . . . . 5929 1 1212 . 1 1 100 100 LYS HG2 H 1 1.31 0.03 . 2 . . . . . . . . 5929 1 1213 . 1 1 100 100 LYS HG3 H 1 1.10 0.03 . 2 . . . . . . . . 5929 1 1214 . 1 1 100 100 LYS CD C 13 26.9 0.3 . 1 . . . . . . . . 5929 1 1215 . 1 1 100 100 LYS HD2 H 1 1.56 0.03 . 2 . . . . . . . . 5929 1 1216 . 1 1 100 100 LYS HD3 H 1 1.46 0.03 . 2 . . . . . . . . 5929 1 1217 . 1 1 100 100 LYS CE C 13 39.5 0.3 . 1 . . . . . . . . 5929 1 1218 . 1 1 100 100 LYS HE2 H 1 2.85 0.03 . 1 . . . . . . . . 5929 1 1219 . 1 1 100 100 LYS HE3 H 1 2.85 0.03 . 1 . . . . . . . . 5929 1 1220 . 1 1 100 100 LYS C C 13 175.1 0.3 . 1 . . . . . . . . 5929 1 1221 . 1 1 101 101 SER N N 15 105.2 0.3 . 1 . . . . . . . . 5929 1 1222 . 1 1 101 101 SER H H 1 7.43 0.03 . 1 . . . . . . . . 5929 1 1223 . 1 1 101 101 SER CA C 13 53.9 0.3 . 1 . . . . . . . . 5929 1 1224 . 1 1 101 101 SER HA H 1 4.22 0.03 . 1 . . . . . . . . 5929 1 1225 . 1 1 101 101 SER CB C 13 62.5 0.3 . 1 . . . . . . . . 5929 1 1226 . 1 1 101 101 SER HB2 H 1 3.77 0.03 . 2 . . . . . . . . 5929 1 1227 . 1 1 101 101 SER HB3 H 1 3.60 0.03 . 2 . . . . . . . . 5929 1 1228 . 1 1 101 101 SER C C 13 169.0 0.3 . 1 . . . . . . . . 5929 1 1229 . 1 1 102 102 ALA N N 15 120.6 0.3 . 1 . . . . . . . . 5929 1 1230 . 1 1 102 102 ALA H H 1 7.78 0.03 . 1 . . . . . . . . 5929 1 1231 . 1 1 102 102 ALA CA C 13 48.7 0.3 . 1 . . . . . . . . 5929 1 1232 . 1 1 102 102 ALA HA H 1 4.97 0.03 . 1 . . . . . . . . 5929 1 1233 . 1 1 102 102 ALA HB1 H 1 1.03 0.03 . 1 . . . . . . . . 5929 1 1234 . 1 1 102 102 ALA HB2 H 1 1.03 0.03 . 1 . . . . . . . . 5929 1 1235 . 1 1 102 102 ALA HB3 H 1 1.03 0.03 . 1 . . . . . . . . 5929 1 1236 . 1 1 102 102 ALA CB C 13 20.6 0.3 . 1 . . . . . . . . 5929 1 1237 . 1 1 102 102 ALA C C 13 171.5 0.3 . 1 . . . . . . . . 5929 1 1238 . 1 1 103 103 TYR N N 15 117.9 0.3 . 1 . . . . . . . . 5929 1 1239 . 1 1 103 103 TYR H H 1 8.46 0.03 . 1 . . . . . . . . 5929 1 1240 . 1 1 103 103 TYR CA C 13 53.2 0.3 . 1 . . . . . . . . 5929 1 1241 . 1 1 103 103 TYR HA H 1 4.45 0.03 . 1 . . . . . . . . 5929 1 1242 . 1 1 103 103 TYR CB C 13 39.5 0.3 . 1 . . . . . . . . 5929 1 1243 . 1 1 103 103 TYR HB2 H 1 2.59 0.03 . 2 . . . . . . . . 5929 1 1244 . 1 1 103 103 TYR HB3 H 1 2.14 0.03 . 2 . . . . . . . . 5929 1 1245 . 1 1 103 103 TYR HD1 H 1 6.42 0.03 . 1 . . . . . . . . 5929 1 1246 . 1 1 103 103 TYR HD2 H 1 6.42 0.03 . 1 . . . . . . . . 5929 1 1247 . 1 1 103 103 TYR HE1 H 1 6.55 0.03 . 1 . . . . . . . . 5929 1 1248 . 1 1 103 103 TYR HE2 H 1 6.55 0.03 . 1 . . . . . . . . 5929 1 1249 . 1 1 103 103 TYR CD1 C 13 130.9 0.3 . 1 . . . . . . . . 5929 1 1250 . 1 1 103 103 TYR CE1 C 13 114.9 0.3 . 1 . . . . . . . . 5929 1 1251 . 1 1 103 103 TYR C C 13 171.8 0.3 . 1 . . . . . . . . 5929 1 1252 . 1 1 104 104 ALA N N 15 126.9 0.3 . 1 . . . . . . . . 5929 1 1253 . 1 1 104 104 ALA H H 1 8.88 0.03 . 1 . . . . . . . . 5929 1 1254 . 1 1 104 104 ALA CA C 13 49.3 0.3 . 1 . . . . . . . . 5929 1 1255 . 1 1 104 104 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 5929 1 1256 . 1 1 104 104 ALA HB1 H 1 1.17 0.03 . 1 . . . . . . . . 5929 1 1257 . 1 1 104 104 ALA HB2 H 1 1.17 0.03 . 1 . . . . . . . . 5929 1 1258 . 1 1 104 104 ALA HB3 H 1 1.17 0.03 . 1 . . . . . . . . 5929 1 1259 . 1 1 104 104 ALA CB C 13 17.7 0.3 . 1 . . . . . . . . 5929 1 1260 . 1 1 104 104 ALA C C 13 174.4 0.3 . 1 . . . . . . . . 5929 1 1261 . 1 1 105 105 ILE N N 15 121.4 0.3 . 1 . . . . . . . . 5929 1 1262 . 1 1 105 105 ILE H H 1 8.60 0.03 . 1 . . . . . . . . 5929 1 1263 . 1 1 105 105 ILE CA C 13 59.4 0.3 . 1 . . . . . . . . 5929 1 1264 . 1 1 105 105 ILE HA H 1 4.26 0.03 . 1 . . . . . . . . 5929 1 1265 . 1 1 105 105 ILE CB C 13 35.0 0.3 . 1 . . . . . . . . 5929 1 1266 . 1 1 105 105 ILE HB H 1 2.02 0.03 . 1 . . . . . . . . 5929 1 1267 . 1 1 105 105 ILE HG21 H 1 0.93 0.03 . 1 . . . . . . . . 5929 1 1268 . 1 1 105 105 ILE HG22 H 1 0.93 0.03 . 1 . . . . . . . . 5929 1 1269 . 1 1 105 105 ILE HG23 H 1 0.93 0.03 . 1 . . . . . . . . 5929 1 1270 . 1 1 105 105 ILE CG2 C 13 13.9 0.3 . 1 . . . . . . . . 5929 1 1271 . 1 1 105 105 ILE CG1 C 13 26.1 0.3 . 1 . . . . . . . . 5929 1 1272 . 1 1 105 105 ILE HG12 H 1 1.88 0.03 . 2 . . . . . . . . 5929 1 1273 . 1 1 105 105 ILE HG13 H 1 0.89 0.03 . 2 . . . . . . . . 5929 1 1274 . 1 1 105 105 ILE HD11 H 1 0.94 0.03 . 1 . . . . . . . . 5929 1 1275 . 1 1 105 105 ILE HD12 H 1 0.94 0.03 . 1 . . . . . . . . 5929 1 1276 . 1 1 105 105 ILE HD13 H 1 0.94 0.03 . 1 . . . . . . . . 5929 1 1277 . 1 1 105 105 ILE CD1 C 13 12.0 0.3 . 1 . . . . . . . . 5929 1 1278 . 1 1 105 105 ILE C C 13 173.4 0.3 . 1 . . . . . . . . 5929 1 1279 . 1 1 106 106 LYS N N 15 134.4 0.3 . 1 . . . . . . . . 5929 1 1280 . 1 1 106 106 LYS H H 1 9.06 0.03 . 1 . . . . . . . . 5929 1 1281 . 1 1 106 106 LYS CA C 13 54.1 0.3 . 1 . . . . . . . . 5929 1 1282 . 1 1 106 106 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 5929 1 1283 . 1 1 106 106 LYS CB C 13 28.8 0.3 . 1 . . . . . . . . 5929 1 1284 . 1 1 106 106 LYS HB2 H 1 1.59 0.03 . 2 . . . . . . . . 5929 1 1285 . 1 1 106 106 LYS HB3 H 1 1.48 0.03 . 2 . . . . . . . . 5929 1 1286 . 1 1 106 106 LYS CG C 13 21.4 0.3 . 1 . . . . . . . . 5929 1 1287 . 1 1 106 106 LYS HG2 H 1 1.37 0.03 . 2 . . . . . . . . 5929 1 1288 . 1 1 106 106 LYS HG3 H 1 1.12 0.03 . 2 . . . . . . . . 5929 1 1289 . 1 1 106 106 LYS CD C 13 25.1 0.3 . 1 . . . . . . . . 5929 1 1290 . 1 1 106 106 LYS HD2 H 1 1.99 0.03 . 2 . . . . . . . . 5929 1 1291 . 1 1 106 106 LYS HD3 H 1 1.54 0.03 . 2 . . . . . . . . 5929 1 1292 . 1 1 106 106 LYS CE C 13 39.8 0.3 . 1 . . . . . . . . 5929 1 1293 . 1 1 106 106 LYS HE2 H 1 2.88 0.03 . 1 . . . . . . . . 5929 1 1294 . 1 1 106 106 LYS HE3 H 1 2.88 0.03 . 1 . . . . . . . . 5929 1 1295 . 1 1 106 106 LYS C C 13 174.0 0.3 . 1 . . . . . . . . 5929 1 1296 . 1 1 107 107 ASP N N 15 121.8 0.3 . 1 . . . . . . . . 5929 1 1297 . 1 1 107 107 ASP H H 1 9.73 0.03 . 1 . . . . . . . . 5929 1 1298 . 1 1 107 107 ASP CA C 13 53.8 0.3 . 1 . . . . . . . . 5929 1 1299 . 1 1 107 107 ASP HA H 1 4.16 0.03 . 1 . . . . . . . . 5929 1 1300 . 1 1 107 107 ASP CB C 13 37.0 0.3 . 1 . . . . . . . . 5929 1 1301 . 1 1 107 107 ASP HB2 H 1 2.91 0.03 . 2 . . . . . . . . 5929 1 1302 . 1 1 107 107 ASP HB3 H 1 2.23 0.03 . 2 . . . . . . . . 5929 1 1303 . 1 1 107 107 ASP C C 13 171.8 0.3 . 1 . . . . . . . . 5929 1 1304 . 1 1 108 108 GLY N N 15 106.4 0.3 . 1 . . . . . . . . 5929 1 1305 . 1 1 108 108 GLY H H 1 7.87 0.03 . 1 . . . . . . . . 5929 1 1306 . 1 1 108 108 GLY CA C 13 45.4 0.3 . 1 . . . . . . . . 5929 1 1307 . 1 1 108 108 GLY HA2 H 1 3.78 0.03 . 2 . . . . . . . . 5929 1 1308 . 1 1 108 108 GLY HA3 H 1 3.62 0.03 . 2 . . . . . . . . 5929 1 1309 . 1 1 108 108 GLY C C 13 170.1 0.3 . 1 . . . . . . . . 5929 1 1310 . 1 1 109 109 ALA N N 15 125.2 0.3 . 1 . . . . . . . . 5929 1 1311 . 1 1 109 109 ALA H H 1 8.74 0.03 . 1 . . . . . . . . 5929 1 1312 . 1 1 109 109 ALA CA C 13 52.3 0.3 . 1 . . . . . . . . 5929 1 1313 . 1 1 109 109 ALA HA H 1 4.21 0.03 . 1 . . . . . . . . 5929 1 1314 . 1 1 109 109 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 5929 1 1315 . 1 1 109 109 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 5929 1 1316 . 1 1 109 109 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 5929 1 1317 . 1 1 109 109 ALA CB C 13 18.0 0.3 . 1 . . . . . . . . 5929 1 1318 . 1 1 109 109 ALA C C 13 177.8 0.3 . 1 . . . . . . . . 5929 1 1319 . 1 1 110 110 GLU N N 15 114.4 0.3 . 1 . . . . . . . . 5929 1 1320 . 1 1 110 110 GLU H H 1 9.25 0.03 . 1 . . . . . . . . 5929 1 1321 . 1 1 110 110 GLU CA C 13 55.4 0.3 . 1 . . . . . . . . 5929 1 1322 . 1 1 110 110 GLU HA H 1 4.21 0.03 . 1 . . . . . . . . 5929 1 1323 . 1 1 110 110 GLU CB C 13 30.9 0.3 . 1 . . . . . . . . 5929 1 1324 . 1 1 110 110 GLU HB2 H 1 2.17 0.03 . 2 . . . . . . . . 5929 1 1325 . 1 1 110 110 GLU HB3 H 1 1.15 0.03 . 2 . . . . . . . . 5929 1 1326 . 1 1 110 110 GLU CG C 13 36.1 0.3 . 1 . . . . . . . . 5929 1 1327 . 1 1 110 110 GLU HG2 H 1 1.74 0.03 . 2 . . . . . . . . 5929 1 1328 . 1 1 110 110 GLU HG3 H 1 1.41 0.03 . 2 . . . . . . . . 5929 1 1329 . 1 1 110 110 GLU C C 13 174.5 0.3 . 1 . . . . . . . . 5929 1 1330 . 1 1 111 111 GLY N N 15 107.9 0.3 . 1 . . . . . . . . 5929 1 1331 . 1 1 111 111 GLY H H 1 8.80 0.03 . 1 . . . . . . . . 5929 1 1332 . 1 1 111 111 GLY CA C 13 43.5 0.3 . 1 . . . . . . . . 5929 1 1333 . 1 1 111 111 GLY HA2 H 1 4.49 0.03 . 2 . . . . . . . . 5929 1 1334 . 1 1 111 111 GLY HA3 H 1 4.16 0.03 . 2 . . . . . . . . 5929 1 1335 . 1 1 111 111 GLY C C 13 170.4 0.3 . 1 . . . . . . . . 5929 1 1336 . 1 1 112 112 PRO CD C 13 47.2 0.3 . 1 . . . . . . . . 5929 1 1337 . 1 1 112 112 PRO CA C 13 64.8 0.3 . 1 . . . . . . . . 5929 1 1338 . 1 1 112 112 PRO HA H 1 4.12 0.03 . 1 . . . . . . . . 5929 1 1339 . 1 1 112 112 PRO CB C 13 29.4 0.3 . 1 . . . . . . . . 5929 1 1340 . 1 1 112 112 PRO HB2 H 1 2.33 0.03 . 2 . . . . . . . . 5929 1 1341 . 1 1 112 112 PRO HB3 H 1 1.88 0.03 . 2 . . . . . . . . 5929 1 1342 . 1 1 112 112 PRO CG C 13 24.8 0.3 . 1 . . . . . . . . 5929 1 1343 . 1 1 112 112 PRO HG2 H 1 2.17 0.03 . 2 . . . . . . . . 5929 1 1344 . 1 1 112 112 PRO HG3 H 1 1.94 0.03 . 2 . . . . . . . . 5929 1 1345 . 1 1 112 112 PRO HD2 H 1 3.73 0.03 . 2 . . . . . . . . 5929 1 1346 . 1 1 112 112 PRO HD3 H 1 3.56 0.03 . 2 . . . . . . . . 5929 1 1347 . 1 1 112 112 PRO C C 13 174.6 0.3 . 1 . . . . . . . . 5929 1 1348 . 1 1 113 113 ARG N N 15 117.0 0.3 . 1 . . . . . . . . 5929 1 1349 . 1 1 113 113 ARG H H 1 9.76 0.03 . 1 . . . . . . . . 5929 1 1350 . 1 1 113 113 ARG CA C 13 51.1 0.3 . 1 . . . . . . . . 5929 1 1351 . 1 1 113 113 ARG HA H 1 4.56 0.03 . 1 . . . . . . . . 5929 1 1352 . 1 1 113 113 ARG CB C 13 26.2 0.3 . 1 . . . . . . . . 5929 1 1353 . 1 1 113 113 ARG HB2 H 1 2.12 0.03 . 2 . . . . . . . . 5929 1 1354 . 1 1 113 113 ARG HB3 H 1 1.46 0.03 . 2 . . . . . . . . 5929 1 1355 . 1 1 113 113 ARG CG C 13 24.4 0.3 . 1 . . . . . . . . 5929 1 1356 . 1 1 113 113 ARG HG2 H 1 1.46 0.03 . 1 . . . . . . . . 5929 1 1357 . 1 1 113 113 ARG HG3 H 1 1.46 0.03 . 1 . . . . . . . . 5929 1 1358 . 1 1 113 113 ARG CD C 13 40.6 0.3 . 1 . . . . . . . . 5929 1 1359 . 1 1 113 113 ARG HD2 H 1 3.09 0.03 . 1 . . . . . . . . 5929 1 1360 . 1 1 113 113 ARG HD3 H 1 3.09 0.03 . 1 . . . . . . . . 5929 1 1361 . 1 1 113 113 ARG C C 13 174.5 0.3 . 1 . . . . . . . . 5929 1 1362 . 1 1 114 114 GLY N N 15 108.2 0.3 . 1 . . . . . . . . 5929 1 1363 . 1 1 114 114 GLY H H 1 7.48 0.03 . 1 . . . . . . . . 5929 1 1364 . 1 1 114 114 GLY CA C 13 42.5 0.3 . 1 . . . . . . . . 5929 1 1365 . 1 1 114 114 GLY HA2 H 1 4.01 0.03 . 2 . . . . . . . . 5929 1 1366 . 1 1 114 114 GLY HA3 H 1 3.44 0.03 . 2 . . . . . . . . 5929 1 1367 . 1 1 114 114 GLY C C 13 172.0 0.3 . 1 . . . . . . . . 5929 1 1368 . 1 1 115 115 TRP N N 15 121.7 0.3 . 1 . . . . . . . . 5929 1 1369 . 1 1 115 115 TRP H H 1 9.46 0.03 . 1 . . . . . . . . 5929 1 1370 . 1 1 115 115 TRP CA C 13 59.7 0.3 . 1 . . . . . . . . 5929 1 1371 . 1 1 115 115 TRP HA H 1 3.45 0.03 . 1 . . . . . . . . 5929 1 1372 . 1 1 115 115 TRP CB C 13 27.6 0.3 . 1 . . . . . . . . 5929 1 1373 . 1 1 115 115 TRP HB2 H 1 3.14 0.03 . 2 . . . . . . . . 5929 1 1374 . 1 1 115 115 TRP HB3 H 1 3.06 0.03 . 2 . . . . . . . . 5929 1 1375 . 1 1 115 115 TRP CD1 C 13 125.0 0.3 . 1 . . . . . . . . 5929 1 1376 . 1 1 115 115 TRP CE3 C 13 116.5 0.3 . 1 . . . . . . . . 5929 1 1377 . 1 1 115 115 TRP NE1 N 15 132.1 0.3 . 1 . . . . . . . . 5929 1 1378 . 1 1 115 115 TRP HD1 H 1 6.78 0.03 . 1 . . . . . . . . 5929 1 1379 . 1 1 115 115 TRP HE3 H 1 7.26 0.03 . 1 . . . . . . . . 5929 1 1380 . 1 1 115 115 TRP CZ3 C 13 118.3 0.3 . 1 . . . . . . . . 5929 1 1381 . 1 1 115 115 TRP CZ2 C 13 111.3 0.3 . 1 . . . . . . . . 5929 1 1382 . 1 1 115 115 TRP HE1 H 1 10.66 0.03 . 1 . . . . . . . . 5929 1 1383 . 1 1 115 115 TRP HZ3 H 1 6.78 0.03 . 1 . . . . . . . . 5929 1 1384 . 1 1 115 115 TRP CH2 C 13 121.1 0.3 . 1 . . . . . . . . 5929 1 1385 . 1 1 115 115 TRP HZ2 H 1 7.26 0.03 . 1 . . . . . . . . 5929 1 1386 . 1 1 115 115 TRP HH2 H 1 6.87 0.03 . 1 . . . . . . . . 5929 1 1387 . 1 1 115 115 TRP C C 13 174.9 0.3 . 1 . . . . . . . . 5929 1 1388 . 1 1 116 116 LEU N N 15 115.7 0.3 . 1 . . . . . . . . 5929 1 1389 . 1 1 116 116 LEU H H 1 7.85 0.03 . 1 . . . . . . . . 5929 1 1390 . 1 1 116 116 LEU CA C 13 55.6 0.3 . 1 . . . . . . . . 5929 1 1391 . 1 1 116 116 LEU HA H 1 3.76 0.03 . 1 . . . . . . . . 5929 1 1392 . 1 1 116 116 LEU CB C 13 39.0 0.3 . 1 . . . . . . . . 5929 1 1393 . 1 1 116 116 LEU HB2 H 1 1.32 0.03 . 2 . . . . . . . . 5929 1 1394 . 1 1 116 116 LEU HB3 H 1 1.02 0.03 . 2 . . . . . . . . 5929 1 1395 . 1 1 116 116 LEU CG C 13 25.0 0.3 . 1 . . . . . . . . 5929 1 1396 . 1 1 116 116 LEU HG H 1 0.24 0.03 . 1 . . . . . . . . 5929 1 1397 . 1 1 116 116 LEU HD11 H 1 -0.09 0.03 . 2 . . . . . . . . 5929 1 1398 . 1 1 116 116 LEU HD12 H 1 -0.09 0.03 . 2 . . . . . . . . 5929 1 1399 . 1 1 116 116 LEU HD13 H 1 -0.09 0.03 . 2 . . . . . . . . 5929 1 1400 . 1 1 116 116 LEU HD21 H 1 -0.28 0.03 . 2 . . . . . . . . 5929 1 1401 . 1 1 116 116 LEU HD22 H 1 -0.28 0.03 . 2 . . . . . . . . 5929 1 1402 . 1 1 116 116 LEU HD23 H 1 -0.28 0.03 . 2 . . . . . . . . 5929 1 1403 . 1 1 116 116 LEU CD1 C 13 21.4 0.3 . 1 . . . . . . . . 5929 1 1404 . 1 1 116 116 LEU CD2 C 13 19.8 0.3 . 1 . . . . . . . . 5929 1 1405 . 1 1 116 116 LEU C C 13 178.7 0.3 . 1 . . . . . . . . 5929 1 1406 . 1 1 117 117 ASN N N 15 118.8 0.3 . 1 . . . . . . . . 5929 1 1407 . 1 1 117 117 ASN H H 1 8.99 0.03 . 1 . . . . . . . . 5929 1 1408 . 1 1 117 117 ASN CA C 13 52.2 0.3 . 1 . . . . . . . . 5929 1 1409 . 1 1 117 117 ASN HA H 1 4.49 0.03 . 1 . . . . . . . . 5929 1 1410 . 1 1 117 117 ASN CB C 13 35.2 0.3 . 1 . . . . . . . . 5929 1 1411 . 1 1 117 117 ASN HB2 H 1 2.74 0.03 . 2 . . . . . . . . 5929 1 1412 . 1 1 117 117 ASN HB3 H 1 2.26 0.03 . 2 . . . . . . . . 5929 1 1413 . 1 1 117 117 ASN ND2 N 15 112.7 0.3 . 1 . . . . . . . . 5929 1 1414 . 1 1 117 117 ASN HD21 H 1 7.06 0.03 . 2 . . . . . . . . 5929 1 1415 . 1 1 117 117 ASN HD22 H 1 6.87 0.03 . 2 . . . . . . . . 5929 1 1416 . 1 1 117 117 ASN C C 13 174.0 0.3 . 1 . . . . . . . . 5929 1 1417 . 1 1 118 118 SER N N 15 115.1 0.3 . 1 . . . . . . . . 5929 1 1418 . 1 1 118 118 SER H H 1 7.55 0.03 . 1 . . . . . . . . 5929 1 1419 . 1 1 118 118 SER CA C 13 56.3 0.3 . 1 . . . . . . . . 5929 1 1420 . 1 1 118 118 SER HA H 1 4.38 0.03 . 1 . . . . . . . . 5929 1 1421 . 1 1 118 118 SER CB C 13 60.3 0.3 . 1 . . . . . . . . 5929 1 1422 . 1 1 118 118 SER HB2 H 1 3.59 0.03 . 1 . . . . . . . . 5929 1 1423 . 1 1 118 118 SER HB3 H 1 3.59 0.03 . 1 . . . . . . . . 5929 1 1424 . 1 1 118 118 SER C C 13 169.1 0.3 . 1 . . . . . . . . 5929 1 1425 . 1 1 119 119 SER N N 15 111.6 0.3 . 1 . . . . . . . . 5929 1 1426 . 1 1 119 119 SER H H 1 7.91 0.03 . 1 . . . . . . . . 5929 1 1427 . 1 1 119 119 SER CA C 13 55.8 0.3 . 1 . . . . . . . . 5929 1 1428 . 1 1 119 119 SER HA H 1 3.90 0.03 . 1 . . . . . . . . 5929 1 1429 . 1 1 119 119 SER CB C 13 57.9 0.3 . 1 . . . . . . . . 5929 1 1430 . 1 1 119 119 SER HB2 H 1 3.97 0.03 . 2 . . . . . . . . 5929 1 1431 . 1 1 119 119 SER HB3 H 1 3.79 0.03 . 2 . . . . . . . . 5929 1 1432 . 1 1 119 119 SER C C 13 170.9 0.3 . 1 . . . . . . . . 5929 1 1433 . 1 1 120 120 LEU N N 15 119.2 0.3 . 1 . . . . . . . . 5929 1 1434 . 1 1 120 120 LEU H H 1 6.75 0.03 . 1 . . . . . . . . 5929 1 1435 . 1 1 120 120 LEU CA C 13 49.4 0.3 . 1 . . . . . . . . 5929 1 1436 . 1 1 120 120 LEU HA H 1 4.08 0.03 . 1 . . . . . . . . 5929 1 1437 . 1 1 120 120 LEU CB C 13 34.9 0.3 . 1 . . . . . . . . 5929 1 1438 . 1 1 120 120 LEU HB2 H 1 0.06 0.03 . 2 . . . . . . . . 5929 1 1439 . 1 1 120 120 LEU HB3 H 1 -0.14 0.03 . 2 . . . . . . . . 5929 1 1440 . 1 1 120 120 LEU CG C 13 22.8 0.3 . 1 . . . . . . . . 5929 1 1441 . 1 1 120 120 LEU HG H 1 0.67 0.03 . 1 . . . . . . . . 5929 1 1442 . 1 1 120 120 LEU HD11 H 1 -0.11 0.03 . 2 . . . . . . . . 5929 1 1443 . 1 1 120 120 LEU HD12 H 1 -0.11 0.03 . 2 . . . . . . . . 5929 1 1444 . 1 1 120 120 LEU HD13 H 1 -0.11 0.03 . 2 . . . . . . . . 5929 1 1445 . 1 1 120 120 LEU HD21 H 1 -0.53 0.03 . 2 . . . . . . . . 5929 1 1446 . 1 1 120 120 LEU HD22 H 1 -0.53 0.03 . 2 . . . . . . . . 5929 1 1447 . 1 1 120 120 LEU HD23 H 1 -0.53 0.03 . 2 . . . . . . . . 5929 1 1448 . 1 1 120 120 LEU CD1 C 13 18.6 0.3 . 1 . . . . . . . . 5929 1 1449 . 1 1 120 120 LEU CD2 C 13 22.9 0.3 . 1 . . . . . . . . 5929 1 1450 . 1 1 120 120 LEU C C 13 172.1 0.3 . 1 . . . . . . . . 5929 1 1451 . 1 1 121 121 PRO CD C 13 47.8 0.3 . 1 . . . . . . . . 5929 1 1452 . 1 1 121 121 PRO CA C 13 62.4 0.3 . 1 . . . . . . . . 5929 1 1453 . 1 1 121 121 PRO HA H 1 4.41 0.03 . 1 . . . . . . . . 5929 1 1454 . 1 1 121 121 PRO CB C 13 29.1 0.3 . 1 . . . . . . . . 5929 1 1455 . 1 1 121 121 PRO HB2 H 1 2.81 0.03 . 2 . . . . . . . . 5929 1 1456 . 1 1 121 121 PRO HB3 H 1 2.35 0.03 . 2 . . . . . . . . 5929 1 1457 . 1 1 121 121 PRO CG C 13 25.4 0.3 . 1 . . . . . . . . 5929 1 1458 . 1 1 121 121 PRO HG2 H 1 2.31 0.03 . 2 . . . . . . . . 5929 1 1459 . 1 1 121 121 PRO HG3 H 1 1.94 0.03 . 2 . . . . . . . . 5929 1 1460 . 1 1 121 121 PRO HD2 H 1 3.32 0.03 . 2 . . . . . . . . 5929 1 1461 . 1 1 121 121 PRO HD3 H 1 2.81 0.03 . 2 . . . . . . . . 5929 1 1462 . 1 1 121 121 PRO C C 13 174.9 0.3 . 1 . . . . . . . . 5929 1 1463 . 1 1 122 122 TRP N N 15 129.3 0.3 . 1 . . . . . . . . 5929 1 1464 . 1 1 122 122 TRP H H 1 9.18 0.03 . 1 . . . . . . . . 5929 1 1465 . 1 1 122 122 TRP CA C 13 54.0 0.3 . 1 . . . . . . . . 5929 1 1466 . 1 1 122 122 TRP HA H 1 4.89 0.03 . 1 . . . . . . . . 5929 1 1467 . 1 1 122 122 TRP CB C 13 31.4 0.3 . 1 . . . . . . . . 5929 1 1468 . 1 1 122 122 TRP HB2 H 1 3.12 0.03 . 1 . . . . . . . . 5929 1 1469 . 1 1 122 122 TRP HB3 H 1 3.12 0.03 . 1 . . . . . . . . 5929 1 1470 . 1 1 122 122 TRP CD1 C 13 125.1 0.3 . 1 . . . . . . . . 5929 1 1471 . 1 1 122 122 TRP CE3 C 13 117.9 0.3 . 1 . . . . . . . . 5929 1 1472 . 1 1 122 122 TRP NE1 N 15 128.7 0.3 . 1 . . . . . . . . 5929 1 1473 . 1 1 122 122 TRP HD1 H 1 6.80 0.03 . 1 . . . . . . . . 5929 1 1474 . 1 1 122 122 TRP HE3 H 1 7.25 0.03 . 1 . . . . . . . . 5929 1 1475 . 1 1 122 122 TRP CZ3 C 13 115.7 0.3 . 1 . . . . . . . . 5929 1 1476 . 1 1 122 122 TRP CZ2 C 13 110.6 0.3 . 1 . . . . . . . . 5929 1 1477 . 1 1 122 122 TRP HE1 H 1 10.20 0.03 . 1 . . . . . . . . 5929 1 1478 . 1 1 122 122 TRP HZ3 H 1 5.79 0.03 . 1 . . . . . . . . 5929 1 1479 . 1 1 122 122 TRP CH2 C 13 118.6 0.3 . 1 . . . . . . . . 5929 1 1480 . 1 1 122 122 TRP HZ2 H 1 6.51 0.03 . 1 . . . . . . . . 5929 1 1481 . 1 1 122 122 TRP HH2 H 1 6.33 0.03 . 1 . . . . . . . . 5929 1 1482 . 1 1 122 122 TRP C C 13 171.2 0.3 . 1 . . . . . . . . 5929 1 1483 . 1 1 123 123 ILE N N 15 129.7 0.3 . 1 . . . . . . . . 5929 1 1484 . 1 1 123 123 ILE H H 1 8.62 0.03 . 1 . . . . . . . . 5929 1 1485 . 1 1 123 123 ILE CA C 13 57.6 0.3 . 1 . . . . . . . . 5929 1 1486 . 1 1 123 123 ILE HA H 1 4.10 0.03 . 1 . . . . . . . . 5929 1 1487 . 1 1 123 123 ILE CB C 13 35.1 0.3 . 1 . . . . . . . . 5929 1 1488 . 1 1 123 123 ILE HB H 1 1.43 0.03 . 1 . . . . . . . . 5929 1 1489 . 1 1 123 123 ILE HG21 H 1 0.71 0.03 . 1 . . . . . . . . 5929 1 1490 . 1 1 123 123 ILE HG22 H 1 0.71 0.03 . 1 . . . . . . . . 5929 1 1491 . 1 1 123 123 ILE HG23 H 1 0.71 0.03 . 1 . . . . . . . . 5929 1 1492 . 1 1 123 123 ILE CG2 C 13 14.5 0.3 . 1 . . . . . . . . 5929 1 1493 . 1 1 123 123 ILE CG1 C 13 24.8 0.3 . 1 . . . . . . . . 5929 1 1494 . 1 1 123 123 ILE HG12 H 1 1.11 0.03 . 2 . . . . . . . . 5929 1 1495 . 1 1 123 123 ILE HG13 H 1 0.75 0.03 . 2 . . . . . . . . 5929 1 1496 . 1 1 123 123 ILE HD11 H 1 0.58 0.03 . 1 . . . . . . . . 5929 1 1497 . 1 1 123 123 ILE HD12 H 1 0.58 0.03 . 1 . . . . . . . . 5929 1 1498 . 1 1 123 123 ILE HD13 H 1 0.58 0.03 . 1 . . . . . . . . 5929 1 1499 . 1 1 123 123 ILE CD1 C 13 10.2 0.3 . 1 . . . . . . . . 5929 1 1500 . 1 1 123 123 ILE C C 13 172.4 0.3 . 1 . . . . . . . . 5929 1 1501 . 1 1 124 124 GLU N N 15 127.2 0.3 . 1 . . . . . . . . 5929 1 1502 . 1 1 124 124 GLU H H 1 8.62 0.03 . 1 . . . . . . . . 5929 1 1503 . 1 1 124 124 GLU CA C 13 52.4 0.3 . 1 . . . . . . . . 5929 1 1504 . 1 1 124 124 GLU HA H 1 4.50 0.03 . 1 . . . . . . . . 5929 1 1505 . 1 1 124 124 GLU CB C 13 26.3 0.3 . 1 . . . . . . . . 5929 1 1506 . 1 1 124 124 GLU HB2 H 1 2.12 0.03 . 2 . . . . . . . . 5929 1 1507 . 1 1 124 124 GLU HB3 H 1 1.95 0.03 . 2 . . . . . . . . 5929 1 1508 . 1 1 124 124 GLU CG C 13 33.7 0.3 . 1 . . . . . . . . 5929 1 1509 . 1 1 124 124 GLU HG2 H 1 2.42 0.03 . 1 . . . . . . . . 5929 1 1510 . 1 1 124 124 GLU HG3 H 1 2.42 0.03 . 1 . . . . . . . . 5929 1 1511 . 1 1 124 124 GLU C C 13 171.6 0.3 . 1 . . . . . . . . 5929 1 1512 . 1 1 125 125 PRO CD C 13 47.5 0.3 . 1 . . . . . . . . 5929 1 1513 . 1 1 125 125 PRO CA C 13 60.3 0.3 . 1 . . . . . . . . 5929 1 1514 . 1 1 125 125 PRO HA H 1 4.30 0.03 . 1 . . . . . . . . 5929 1 1515 . 1 1 125 125 PRO CB C 13 29.5 0.3 . 1 . . . . . . . . 5929 1 1516 . 1 1 125 125 PRO HB2 H 1 2.11 0.03 . 2 . . . . . . . . 5929 1 1517 . 1 1 125 125 PRO HB3 H 1 1.77 0.03 . 2 . . . . . . . . 5929 1 1518 . 1 1 125 125 PRO CG C 13 24.8 0.3 . 1 . . . . . . . . 5929 1 1519 . 1 1 125 125 PRO HG2 H 1 1.79 0.03 . 2 . . . . . . . . 5929 1 1520 . 1 1 125 125 PRO HG3 H 1 1.54 0.03 . 2 . . . . . . . . 5929 1 1521 . 1 1 125 125 PRO HD2 H 1 3.67 0.03 . 2 . . . . . . . . 5929 1 1522 . 1 1 125 125 PRO HD3 H 1 3.59 0.03 . 2 . . . . . . . . 5929 1 1523 . 1 1 125 125 PRO C C 13 173.9 0.3 . 1 . . . . . . . . 5929 1 1524 . 1 1 126 126 LYS N N 15 121.7 0.3 . 1 . . . . . . . . 5929 1 1525 . 1 1 126 126 LYS H H 1 8.27 0.03 . 1 . . . . . . . . 5929 1 1526 . 1 1 126 126 LYS CA C 13 53.6 0.3 . 1 . . . . . . . . 5929 1 1527 . 1 1 126 126 LYS HA H 1 4.21 0.03 . 1 . . . . . . . . 5929 1 1528 . 1 1 126 126 LYS CB C 13 30.3 0.3 . 1 . . . . . . . . 5929 1 1529 . 1 1 126 126 LYS HB2 H 1 1.71 0.03 . 2 . . . . . . . . 5929 1 1530 . 1 1 126 126 LYS HB3 H 1 1.69 0.03 . 2 . . . . . . . . 5929 1 1531 . 1 1 126 126 LYS CG C 13 22.0 0.3 . 1 . . . . . . . . 5929 1 1532 . 1 1 126 126 LYS HG2 H 1 1.35 0.03 . 1 . . . . . . . . 5929 1 1533 . 1 1 126 126 LYS HG3 H 1 1.35 0.03 . 1 . . . . . . . . 5929 1 1534 . 1 1 126 126 LYS CD C 13 26.3 0.3 . 1 . . . . . . . . 5929 1 1535 . 1 1 126 126 LYS HD2 H 1 1.58 0.03 . 1 . . . . . . . . 5929 1 1536 . 1 1 126 126 LYS HD3 H 1 1.58 0.03 . 1 . . . . . . . . 5929 1 1537 . 1 1 126 126 LYS CE C 13 39.6 0.3 . 1 . . . . . . . . 5929 1 1538 . 1 1 126 126 LYS HE2 H 1 2.90 0.03 . 1 . . . . . . . . 5929 1 1539 . 1 1 126 126 LYS HE3 H 1 2.90 0.03 . 1 . . . . . . . . 5929 1 1540 . 1 1 126 126 LYS C C 13 174.1 0.3 . 1 . . . . . . . . 5929 1 1541 . 1 1 127 127 LYS N N 15 123.6 0.3 . 1 . . . . . . . . 5929 1 1542 . 1 1 127 127 LYS H H 1 8.44 0.03 . 1 . . . . . . . . 5929 1 1543 . 1 1 127 127 LYS CA C 13 53.7 0.3 . 1 . . . . . . . . 5929 1 1544 . 1 1 127 127 LYS HA H 1 4.33 0.03 . 1 . . . . . . . . 5929 1 1545 . 1 1 127 127 LYS CB C 13 30.4 0.3 . 1 . . . . . . . . 5929 1 1546 . 1 1 127 127 LYS CD C 13 26.5 0.3 . 1 . . . . . . . . 5929 1 1547 . 1 1 127 127 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 5929 1 1548 . 1 1 127 127 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 5929 1 1549 . 1 1 127 127 LYS CE C 13 39.6 0.3 . 1 . . . . . . . . 5929 1 1550 . 1 1 127 127 LYS HE2 H 1 2.91 0.03 . 1 . . . . . . . . 5929 1 1551 . 1 1 127 127 LYS HE3 H 1 2.91 0.03 . 1 . . . . . . . . 5929 1 1552 . 1 1 127 127 LYS C C 13 174.1 0.3 . 1 . . . . . . . . 5929 1 1553 . 1 1 128 128 THR N N 15 114.9 0.3 . 1 . . . . . . . . 5929 1 1554 . 1 1 128 128 THR H H 1 8.10 0.03 . 1 . . . . . . . . 5929 1 1555 . 1 1 128 128 THR CA C 13 67.6 0.3 . 1 . . . . . . . . 5929 1 1556 . 1 1 128 128 THR HA H 1 4.32 0.03 . 1 . . . . . . . . 5929 1 1557 . 1 1 128 128 THR CB C 13 58.9 0.3 . 1 . . . . . . . . 5929 1 1558 . 1 1 128 128 THR HB H 1 4.17 0.03 . 1 . . . . . . . . 5929 1 1559 . 1 1 128 128 THR HG21 H 1 1.10 0.03 . 1 . . . . . . . . 5929 1 1560 . 1 1 128 128 THR HG22 H 1 1.10 0.03 . 1 . . . . . . . . 5929 1 1561 . 1 1 128 128 THR HG23 H 1 1.10 0.03 . 1 . . . . . . . . 5929 1 1562 . 1 1 128 128 THR CG2 C 13 18.9 0.3 . 1 . . . . . . . . 5929 1 1563 . 1 1 128 128 THR C C 13 171.7 0.3 . 1 . . . . . . . . 5929 1 1564 . 1 1 129 129 SER N N 15 117.8 0.3 . 1 . . . . . . . . 5929 1 1565 . 1 1 129 129 SER H H 1 8.27 0.03 . 1 . . . . . . . . 5929 1 1566 . 1 1 129 129 SER CA C 13 55.6 0.3 . 1 . . . . . . . . 5929 1 1567 . 1 1 129 129 SER HA H 1 4.45 0.03 . 1 . . . . . . . . 5929 1 1568 . 1 1 129 129 SER CB C 13 61.3 0.3 . 1 . . . . . . . . 5929 1 1569 . 1 1 129 129 SER HB2 H 1 3.78 0.03 . 1 . . . . . . . . 5929 1 1570 . 1 1 129 129 SER HB3 H 1 3.78 0.03 . 1 . . . . . . . . 5929 1 1571 . 1 1 129 129 SER C C 13 171.7 0.3 . 1 . . . . . . . . 5929 1 1572 . 1 1 130 130 GLY N N 15 110.7 0.3 . 1 . . . . . . . . 5929 1 1573 . 1 1 130 130 GLY H H 1 8.20 0.03 . 1 . . . . . . . . 5929 1 1574 . 1 1 130 130 GLY CA C 13 41.9 0.3 . 1 . . . . . . . . 5929 1 1575 . 1 1 130 130 GLY HA2 H 1 4.04 0.03 . 1 . . . . . . . . 5929 1 1576 . 1 1 130 130 GLY HA3 H 1 4.04 0.03 . 1 . . . . . . . . 5929 1 1577 . 1 1 130 130 GLY C C 13 169.1 0.3 . 1 . . . . . . . . 5929 1 1578 . 1 1 131 131 PRO CD C 13 47.1 0.3 . 1 . . . . . . . . 5929 1 1579 . 1 1 131 131 PRO CA C 13 60.5 0.3 . 1 . . . . . . . . 5929 1 1580 . 1 1 131 131 PRO HA H 1 4.38 0.03 . 1 . . . . . . . . 5929 1 1581 . 1 1 131 131 PRO CB C 13 29.5 0.3 . 1 . . . . . . . . 5929 1 1582 . 1 1 131 131 PRO HB2 H 1 2.20 0.03 . 2 . . . . . . . . 5929 1 1583 . 1 1 131 131 PRO HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5929 1 1584 . 1 1 131 131 PRO CG C 13 24.4 0.3 . 1 . . . . . . . . 5929 1 1585 . 1 1 131 131 PRO HG2 H 1 1.92 0.03 . 1 . . . . . . . . 5929 1 1586 . 1 1 131 131 PRO HG3 H 1 1.92 0.03 . 1 . . . . . . . . 5929 1 1587 . 1 1 131 131 PRO HD2 H 1 3.53 0.03 . 1 . . . . . . . . 5929 1 1588 . 1 1 131 131 PRO HD3 H 1 3.53 0.03 . 1 . . . . . . . . 5929 1 1589 . 1 1 131 131 PRO C C 13 174.4 0.3 . 1 . . . . . . . . 5929 1 1590 . 1 1 132 132 SER N N 15 116.7 0.3 . 1 . . . . . . . . 5929 1 1591 . 1 1 132 132 SER H H 1 8.51 0.03 . 1 . . . . . . . . 5929 1 1592 . 1 1 132 132 SER CA C 13 55.6 0.3 . 1 . . . . . . . . 5929 1 1593 . 1 1 132 132 SER HA H 1 4.40 0.03 . 1 . . . . . . . . 5929 1 1594 . 1 1 132 132 SER CB C 13 61.2 0.3 . 1 . . . . . . . . 5929 1 1595 . 1 1 132 132 SER HB2 H 1 3.78 0.03 . 1 . . . . . . . . 5929 1 1596 . 1 1 132 132 SER HB3 H 1 3.78 0.03 . 1 . . . . . . . . 5929 1 1597 . 1 1 132 132 SER C C 13 171.8 0.3 . 1 . . . . . . . . 5929 1 1598 . 1 1 133 133 SER N N 15 117.8 0.3 . 1 . . . . . . . . 5929 1 1599 . 1 1 133 133 SER H H 1 8.29 0.03 . 1 . . . . . . . . 5929 1 1600 . 1 1 133 133 SER CA C 13 55.6 0.3 . 1 . . . . . . . . 5929 1 1601 . 1 1 133 133 SER HA H 1 4.38 0.03 . 1 . . . . . . . . 5929 1 1602 . 1 1 133 133 SER CB C 13 61.4 0.3 . 1 . . . . . . . . 5929 1 1603 . 1 1 133 133 SER HB2 H 1 3.74 0.03 . 1 . . . . . . . . 5929 1 1604 . 1 1 133 133 SER HB3 H 1 3.74 0.03 . 1 . . . . . . . . 5929 1 1605 . 1 1 133 133 SER C C 13 171.2 0.3 . 1 . . . . . . . . 5929 1 1606 . 1 1 134 134 GLY N N 15 116.8 0.3 . 1 . . . . . . . . 5929 1 1607 . 1 1 134 134 GLY H H 1 7.96 0.03 . 1 . . . . . . . . 5929 1 1608 . 1 1 134 134 GLY CA C 13 43.5 0.3 . 1 . . . . . . . . 5929 1 1609 . 1 1 134 134 GLY C C 13 176.3 0.3 . 1 . . . . . . . . 5929 1 stop_ save_