data_11105 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11105 _Entry.Title ; The solution structure of the thioredoxin domain of human Thioredoxin-related transmembrane protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11105 2 S. Koshiba . . . 11105 3 M. Inoue . . . 11105 4 T. Kigawa . . . 11105 5 S. Yokoyama . . . 11105 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11105 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11105 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 609 11105 '15N chemical shifts' 139 11105 '1H chemical shifts' 926 11105 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 . . 2011-02-18 2010-02-19 original author . 11105 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJ0 'BMRB Entry Tracking System' 11105 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11105 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The solution structure of the thioredoxin domain of human Thioredoxin-related transmembrane protein 2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 N. Tochio . . . 11105 1 2 S. Koshiba . . . 11105 1 3 M. Inoue . . . 11105 1 4 T. Kigawa . . . 11105 1 5 S. Yokoyama . . . 11105 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11105 _Assembly.ID 1 _Assembly.Name 'Thioredoxin-related transmembrane protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Thioredoxin domain' 1 $entity_1 A . yes native no no . . . 11105 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dj0 . . . . . . 11105 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11105 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Thioredoxin domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGYIKYFNDKTIDEE LERDKRVTWIVEFFANWSND CQSFAPIYADLSLKYNCTGL NFGKVDVGRYTDVSTRYKVS TSPLTKQLPTLILFQGGKEA MRRPQIDKKGRAVSWTFSEE NVIREFNLNELSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2DJ0 . "The Solution Structure Of The Thioredoxin Domain Of Human Thioredoxin-Related Transmembrane Protein 2" . . . . . 100.00 137 100.00 100.00 3.49e-95 . . . . 11105 1 2 no DBJ BAC11569 . "unnamed protein product [Homo sapiens]" . . . . . 90.51 372 100.00 100.00 2.75e-83 . . . . 11105 1 3 no DBJ BAD96778 . "thioredoxin-related transmembrane protein 2 variant [Homo sapiens]" . . . . . 90.51 296 99.19 100.00 1.15e-83 . . . . 11105 1 4 no DBJ BAE01711 . "unnamed protein product [Macaca fascicularis]" . . . . . 90.51 296 98.39 99.19 2.79e-83 . . . . 11105 1 5 no DBJ BAG35827 . "unnamed protein product [Homo sapiens]" . . . . . 90.51 296 100.00 100.00 2.40e-84 . . . . 11105 1 6 no DBJ BAH12650 . "unnamed protein product [Homo sapiens]" . . . . . 90.51 258 100.00 100.00 8.64e-85 . . . . 11105 1 7 no EMBL CAH89604 . "hypothetical protein [Pongo abelii]" . . . . . 90.51 296 97.58 98.39 1.71e-82 . . . . 11105 1 8 no GB AAD27740 . "CGI-31 protein [Homo sapiens]" . . . . . 90.51 296 100.00 100.00 2.64e-84 . . . . 11105 1 9 no GB AAG43122 . "My009 protein [Homo sapiens]" . . . . . 90.51 372 99.19 99.19 2.06e-82 . . . . 11105 1 10 no GB AAH00666 . "Thioredoxin-related transmembrane protein 2 [Homo sapiens]" . . . . . 90.51 296 100.00 100.00 2.64e-84 . . . . 11105 1 11 no GB AAH83678 . "Thioredoxin-related transmembrane protein 2 [Rattus norvegicus]" . . . . . 90.51 295 98.39 99.19 9.03e-83 . . . . 11105 1 12 no GB AAH93062 . "TMX2 protein [Homo sapiens]" . . . . . 90.51 258 100.00 100.00 8.64e-85 . . . . 11105 1 13 no REF NP_001007644 . "thioredoxin-related transmembrane protein 2 precursor [Rattus norvegicus]" . . . . . 90.51 295 98.39 99.19 9.03e-83 . . . . 11105 1 14 no REF NP_001127174 . "thioredoxin-related transmembrane protein 2 precursor [Pongo abelii]" . . . . . 90.51 296 97.58 98.39 1.71e-82 . . . . 11105 1 15 no REF NP_001137484 . "thioredoxin-related transmembrane protein 2 isoform 2 [Homo sapiens]" . . . . . 90.51 258 100.00 100.00 8.64e-85 . . . . 11105 1 16 no REF NP_001182688 . "thioredoxin-related transmembrane protein 2 [Macaca mulatta]" . . . . . 90.51 296 99.19 99.19 1.25e-83 . . . . 11105 1 17 no REF NP_001272093 . "thioredoxin-related transmembrane protein 2 precursor [Macaca fascicularis]" . . . . . 90.51 296 98.39 99.19 2.79e-83 . . . . 11105 1 18 no SP Q2TBU2 . "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Thioredoxin domain-containing protein 14; Flags: Precu" . . . . . 90.51 296 97.58 99.19 2.22e-82 . . . . 11105 1 19 no SP Q4R5B4 . "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Thioredoxin domain-containing protein 14; Flags: Precu" . . . . . 90.51 296 98.39 99.19 2.79e-83 . . . . 11105 1 20 no SP Q5RF53 . "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Thioredoxin domain-containing protein 14; Flags: Precu" . . . . . 90.51 296 97.58 98.39 1.71e-82 . . . . 11105 1 21 no SP Q5XIK2 . "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Thioredoxin domain-containing protein 14; Flags: Precu" . . . . . 90.51 295 98.39 99.19 9.03e-83 . . . . 11105 1 22 no SP Q9Y320 . "RecName: Full=Thioredoxin-related transmembrane protein 2; AltName: Full=Cell proliferation-inducing gene 26 protein; AltName: " . . . . . 90.51 296 100.00 100.00 2.64e-84 . . . . 11105 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Thioredoxin domain' . 11105 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 . 11105 1 2 . SER . 11105 1 3 . SER . 11105 1 4 . GLY . 11105 1 5 . SER . 11105 1 6 . SER . 11105 1 7 . GLY . 11105 1 8 . TYR . 11105 1 9 . ILE . 11105 1 10 . LYS . 11105 1 11 . TYR . 11105 1 12 . PHE . 11105 1 13 . ASN . 11105 1 14 . ASP . 11105 1 15 . LYS . 11105 1 16 . THR . 11105 1 17 . ILE . 11105 1 18 . ASP . 11105 1 19 . GLU . 11105 1 20 . GLU . 11105 1 21 . LEU . 11105 1 22 . GLU . 11105 1 23 . ARG . 11105 1 24 . ASP . 11105 1 25 . LYS . 11105 1 26 . ARG . 11105 1 27 . VAL . 11105 1 28 . THR . 11105 1 29 . TRP . 11105 1 30 . ILE . 11105 1 31 . VAL . 11105 1 32 . GLU . 11105 1 33 . PHE . 11105 1 34 . PHE . 11105 1 35 . ALA . 11105 1 36 . ASN . 11105 1 37 . TRP . 11105 1 38 . SER . 11105 1 39 . ASN . 11105 1 40 . ASP . 11105 1 41 . CYS . 11105 1 42 . GLN . 11105 1 43 . SER . 11105 1 44 . PHE . 11105 1 45 . ALA . 11105 1 46 . PRO . 11105 1 47 . ILE . 11105 1 48 . TYR . 11105 1 49 . ALA . 11105 1 50 . ASP . 11105 1 51 . LEU . 11105 1 52 . SER . 11105 1 53 . LEU . 11105 1 54 . LYS . 11105 1 55 . TYR . 11105 1 56 . ASN . 11105 1 57 . CYS . 11105 1 58 . THR . 11105 1 59 . GLY . 11105 1 60 . LEU . 11105 1 61 . ASN . 11105 1 62 . PHE . 11105 1 63 . GLY . 11105 1 64 . LYS . 11105 1 65 . VAL . 11105 1 66 . ASP . 11105 1 67 . VAL . 11105 1 68 . GLY . 11105 1 69 . ARG . 11105 1 70 . TYR . 11105 1 71 . THR . 11105 1 72 . ASP . 11105 1 73 . VAL . 11105 1 74 . SER . 11105 1 75 . THR . 11105 1 76 . ARG . 11105 1 77 . TYR . 11105 1 78 . LYS . 11105 1 79 . VAL . 11105 1 80 . SER . 11105 1 81 . THR . 11105 1 82 . SER . 11105 1 83 . PRO . 11105 1 84 . LEU . 11105 1 85 . THR . 11105 1 86 . LYS . 11105 1 87 . GLN . 11105 1 88 . LEU . 11105 1 89 . PRO . 11105 1 90 . THR . 11105 1 91 . LEU . 11105 1 92 . ILE . 11105 1 93 . LEU . 11105 1 94 . PHE . 11105 1 95 . GLN . 11105 1 96 . GLY . 11105 1 97 . GLY . 11105 1 98 . LYS . 11105 1 99 . GLU . 11105 1 100 . ALA . 11105 1 101 . MET . 11105 1 102 . ARG . 11105 1 103 . ARG . 11105 1 104 . PRO . 11105 1 105 . GLN . 11105 1 106 . ILE . 11105 1 107 . ASP . 11105 1 108 . LYS . 11105 1 109 . LYS . 11105 1 110 . GLY . 11105 1 111 . ARG . 11105 1 112 . ALA . 11105 1 113 . VAL . 11105 1 114 . SER . 11105 1 115 . TRP . 11105 1 116 . THR . 11105 1 117 . PHE . 11105 1 118 . SER . 11105 1 119 . GLU . 11105 1 120 . GLU . 11105 1 121 . ASN . 11105 1 122 . VAL . 11105 1 123 . ILE . 11105 1 124 . ARG . 11105 1 125 . GLU . 11105 1 126 . PHE . 11105 1 127 . ASN . 11105 1 128 . LEU . 11105 1 129 . ASN . 11105 1 130 . GLU . 11105 1 131 . LEU . 11105 1 132 . SER . 11105 1 133 . GLY . 11105 1 134 . PRO . 11105 1 135 . SER . 11105 1 136 . SER . 11105 1 137 . GLY . 11105 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 11105 1 . SER 2 2 11105 1 . SER 3 3 11105 1 . GLY 4 4 11105 1 . SER 5 5 11105 1 . SER 6 6 11105 1 . GLY 7 7 11105 1 . TYR 8 8 11105 1 . ILE 9 9 11105 1 . LYS 10 10 11105 1 . TYR 11 11 11105 1 . PHE 12 12 11105 1 . ASN 13 13 11105 1 . ASP 14 14 11105 1 . LYS 15 15 11105 1 . THR 16 16 11105 1 . ILE 17 17 11105 1 . ASP 18 18 11105 1 . GLU 19 19 11105 1 . GLU 20 20 11105 1 . LEU 21 21 11105 1 . GLU 22 22 11105 1 . ARG 23 23 11105 1 . ASP 24 24 11105 1 . LYS 25 25 11105 1 . ARG 26 26 11105 1 . VAL 27 27 11105 1 . THR 28 28 11105 1 . TRP 29 29 11105 1 . ILE 30 30 11105 1 . VAL 31 31 11105 1 . GLU 32 32 11105 1 . PHE 33 33 11105 1 . PHE 34 34 11105 1 . ALA 35 35 11105 1 . ASN 36 36 11105 1 . TRP 37 37 11105 1 . SER 38 38 11105 1 . ASN 39 39 11105 1 . ASP 40 40 11105 1 . CYS 41 41 11105 1 . GLN 42 42 11105 1 . SER 43 43 11105 1 . PHE 44 44 11105 1 . ALA 45 45 11105 1 . PRO 46 46 11105 1 . ILE 47 47 11105 1 . TYR 48 48 11105 1 . ALA 49 49 11105 1 . ASP 50 50 11105 1 . LEU 51 51 11105 1 . SER 52 52 11105 1 . LEU 53 53 11105 1 . LYS 54 54 11105 1 . TYR 55 55 11105 1 . ASN 56 56 11105 1 . CYS 57 57 11105 1 . THR 58 58 11105 1 . GLY 59 59 11105 1 . LEU 60 60 11105 1 . ASN 61 61 11105 1 . PHE 62 62 11105 1 . GLY 63 63 11105 1 . LYS 64 64 11105 1 . VAL 65 65 11105 1 . ASP 66 66 11105 1 . VAL 67 67 11105 1 . GLY 68 68 11105 1 . ARG 69 69 11105 1 . TYR 70 70 11105 1 . THR 71 71 11105 1 . ASP 72 72 11105 1 . VAL 73 73 11105 1 . SER 74 74 11105 1 . THR 75 75 11105 1 . ARG 76 76 11105 1 . TYR 77 77 11105 1 . LYS 78 78 11105 1 . VAL 79 79 11105 1 . SER 80 80 11105 1 . THR 81 81 11105 1 . SER 82 82 11105 1 . PRO 83 83 11105 1 . LEU 84 84 11105 1 . THR 85 85 11105 1 . LYS 86 86 11105 1 . GLN 87 87 11105 1 . LEU 88 88 11105 1 . PRO 89 89 11105 1 . THR 90 90 11105 1 . LEU 91 91 11105 1 . ILE 92 92 11105 1 . LEU 93 93 11105 1 . PHE 94 94 11105 1 . GLN 95 95 11105 1 . GLY 96 96 11105 1 . GLY 97 97 11105 1 . LYS 98 98 11105 1 . GLU 99 99 11105 1 . ALA 100 100 11105 1 . MET 101 101 11105 1 . ARG 102 102 11105 1 . ARG 103 103 11105 1 . PRO 104 104 11105 1 . GLN 105 105 11105 1 . ILE 106 106 11105 1 . ASP 107 107 11105 1 . LYS 108 108 11105 1 . LYS 109 109 11105 1 . GLY 110 110 11105 1 . ARG 111 111 11105 1 . ALA 112 112 11105 1 . VAL 113 113 11105 1 . SER 114 114 11105 1 . TRP 115 115 11105 1 . THR 116 116 11105 1 . PHE 117 117 11105 1 . SER 118 118 11105 1 . GLU 119 119 11105 1 . GLU 120 120 11105 1 . ASN 121 121 11105 1 . VAL 122 122 11105 1 . ILE 123 123 11105 1 . ARG 124 124 11105 1 . GLU 125 125 11105 1 . PHE 126 126 11105 1 . ASN 127 127 11105 1 . LEU 128 128 11105 1 . ASN 129 129 11105 1 . GLU 130 130 11105 1 . LEU 131 131 11105 1 . SER 132 132 11105 1 . GLY 133 133 11105 1 . PRO 134 134 11105 1 . SER 135 135 11105 1 . SER 136 136 11105 1 . GLY 137 137 11105 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 11105 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11105 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 11105 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050314-13 . . . . . . 11105 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11105 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4mM Thioredoxin domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Thioredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.4 . . mM . . . . 11105 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11105 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11105 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11105 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11105 1 6 H2O . . . . . . solvent 90 . . % . . . . 11105 1 7 D2O . . . . . . solvent 10 . . % . . . . 11105 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11105 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11105 1 pH 7.0 0.05 pH 11105 1 pressure 1 0.001 atm 11105 1 temperature 298 0.1 K 11105 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11105 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11105 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11105 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11105 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11105 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11105 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11105 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11105 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11105 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11105 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11105 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11105 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11105 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11105 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11105 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11105 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11105 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11105 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 11105 _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 '3D 15N-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11105 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11105 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11105 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) 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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11105 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11105 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11105 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11105 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-SEPARATED NOESY' 1 $sample_1 isotropic 11105 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11105 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11105 1 2 $NMRPipe . . 11105 1 3 $NMRVIEW . . 11105 1 4 $KUJIRA . . 11105 1 5 $CYANA . . 11105 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 6 6 SER HA H 1 4.457 0.030 . 1 . . . . 6 SER HA . 11105 1 2 . 1 1 6 6 SER HB2 H 1 3.851 0.030 . 1 . . . . 6 SER HB2 . 11105 1 3 . 1 1 6 6 SER HB3 H 1 3.851 0.030 . 1 . . . . 6 SER HB3 . 11105 1 4 . 1 1 6 6 SER C C 13 174.690 0.300 . 1 . . . . 6 SER C . 11105 1 5 . 1 1 6 6 SER CA C 13 58.438 0.300 . 1 . . . . 6 SER CA . 11105 1 6 . 1 1 6 6 SER CB C 13 63.892 0.300 . 1 . . . . 6 SER CB . 11105 1 7 . 1 1 7 7 GLY H H 1 8.210 0.030 . 1 . . . . 7 GLY H . 11105 1 8 . 1 1 7 7 GLY HA2 H 1 3.734 0.030 . 2 . . . . 7 GLY HA2 . 11105 1 9 . 1 1 7 7 GLY HA3 H 1 3.573 0.030 . 2 . . . . 7 GLY HA3 . 11105 1 10 . 1 1 7 7 GLY C C 13 173.469 0.300 . 1 . . . . 7 GLY C . 11105 1 11 . 1 1 7 7 GLY CA C 13 45.096 0.300 . 1 . . . . 7 GLY CA . 11105 1 12 . 1 1 7 7 GLY N N 15 109.533 0.300 . 1 . . . . 7 GLY N . 11105 1 13 . 1 1 8 8 TYR H H 1 8.067 0.030 . 1 . . . . 8 TYR H . 11105 1 14 . 1 1 8 8 TYR HA H 1 4.660 0.030 . 1 . . . . 8 TYR HA . 11105 1 15 . 1 1 8 8 TYR HB2 H 1 3.032 0.030 . 2 . . . . 8 TYR HB2 . 11105 1 16 . 1 1 8 8 TYR HB3 H 1 2.511 0.030 . 2 . . . . 8 TYR HB3 . 11105 1 17 . 1 1 8 8 TYR HD1 H 1 7.035 0.030 . 1 . . . . 8 TYR HD1 . 11105 1 18 . 1 1 8 8 TYR HD2 H 1 7.035 0.030 . 1 . . . . 8 TYR HD2 . 11105 1 19 . 1 1 8 8 TYR HE1 H 1 6.795 0.030 . 1 . . . . 8 TYR HE1 . 11105 1 20 . 1 1 8 8 TYR HE2 H 1 6.795 0.030 . 1 . . . . 8 TYR HE2 . 11105 1 21 . 1 1 8 8 TYR C C 13 174.433 0.300 . 1 . . . . 8 TYR C . 11105 1 22 . 1 1 8 8 TYR CA C 13 56.916 0.300 . 1 . . . . 8 TYR CA . 11105 1 23 . 1 1 8 8 TYR CB C 13 38.066 0.300 . 1 . . . . 8 TYR CB . 11105 1 24 . 1 1 8 8 TYR CD1 C 13 132.827 0.300 . 1 . . . . 8 TYR CD1 . 11105 1 25 . 1 1 8 8 TYR CD2 C 13 132.827 0.300 . 1 . . . . 8 TYR CD2 . 11105 1 26 . 1 1 8 8 TYR CE1 C 13 118.259 0.300 . 1 . . . . 8 TYR CE1 . 11105 1 27 . 1 1 8 8 TYR CE2 C 13 118.259 0.300 . 1 . . . . 8 TYR CE2 . 11105 1 28 . 1 1 8 8 TYR N N 15 121.223 0.300 . 1 . . . . 8 TYR N . 11105 1 29 . 1 1 9 9 ILE H H 1 7.372 0.030 . 1 . . . . 9 ILE H . 11105 1 30 . 1 1 9 9 ILE HA H 1 4.227 0.030 . 1 . . . . 9 ILE HA . 11105 1 31 . 1 1 9 9 ILE HB H 1 1.459 0.030 . 1 . . . . 9 ILE HB . 11105 1 32 . 1 1 9 9 ILE HD11 H 1 0.638 0.030 . 1 . . . . 9 ILE HD1 . 11105 1 33 . 1 1 9 9 ILE HD12 H 1 0.638 0.030 . 1 . . . . 9 ILE HD1 . 11105 1 34 . 1 1 9 9 ILE HD13 H 1 0.638 0.030 . 1 . . . . 9 ILE HD1 . 11105 1 35 . 1 1 9 9 ILE HG12 H 1 0.518 0.030 . 2 . . . . 9 ILE HG12 . 11105 1 36 . 1 1 9 9 ILE HG13 H 1 1.431 0.030 . 2 . . . . 9 ILE HG13 . 11105 1 37 . 1 1 9 9 ILE HG21 H 1 0.348 0.030 . 1 . . . . 9 ILE HG2 . 11105 1 38 . 1 1 9 9 ILE HG22 H 1 0.348 0.030 . 1 . . . . 9 ILE HG2 . 11105 1 39 . 1 1 9 9 ILE HG23 H 1 0.348 0.030 . 1 . . . . 9 ILE HG2 . 11105 1 40 . 1 1 9 9 ILE C C 13 175.096 0.300 . 1 . . . . 9 ILE C . 11105 1 41 . 1 1 9 9 ILE CA C 13 60.322 0.300 . 1 . . . . 9 ILE CA . 11105 1 42 . 1 1 9 9 ILE CB C 13 41.134 0.300 . 1 . . . . 9 ILE CB . 11105 1 43 . 1 1 9 9 ILE CD1 C 13 14.656 0.300 . 1 . . . . 9 ILE CD1 . 11105 1 44 . 1 1 9 9 ILE CG1 C 13 28.001 0.300 . 1 . . . . 9 ILE CG1 . 11105 1 45 . 1 1 9 9 ILE CG2 C 13 19.111 0.300 . 1 . . . . 9 ILE CG2 . 11105 1 46 . 1 1 9 9 ILE N N 15 120.072 0.300 . 1 . . . . 9 ILE N . 11105 1 47 . 1 1 10 10 LYS H H 1 8.730 0.030 . 1 . . . . 10 LYS H . 11105 1 48 . 1 1 10 10 LYS HA H 1 4.432 0.030 . 1 . . . . 10 LYS HA . 11105 1 49 . 1 1 10 10 LYS HB2 H 1 1.825 0.030 . 2 . . . . 10 LYS HB2 . 11105 1 50 . 1 1 10 10 LYS HB3 H 1 1.728 0.030 . 2 . . . . 10 LYS HB3 . 11105 1 51 . 1 1 10 10 LYS HD2 H 1 1.759 0.030 . 2 . . . . 10 LYS HD2 . 11105 1 52 . 1 1 10 10 LYS HD3 H 1 1.693 0.030 . 2 . . . . 10 LYS HD3 . 11105 1 53 . 1 1 10 10 LYS HE2 H 1 3.022 0.030 . 2 . . . . 10 LYS HE2 . 11105 1 54 . 1 1 10 10 LYS HE3 H 1 2.959 0.030 . 2 . . . . 10 LYS HE3 . 11105 1 55 . 1 1 10 10 LYS HG2 H 1 1.108 0.030 . 2 . . . . 10 LYS HG2 . 11105 1 56 . 1 1 10 10 LYS HG3 H 1 1.041 0.030 . 2 . . . . 10 LYS HG3 . 11105 1 57 . 1 1 10 10 LYS C C 13 174.234 0.300 . 1 . . . . 10 LYS C . 11105 1 58 . 1 1 10 10 LYS CA C 13 55.050 0.300 . 1 . . . . 10 LYS CA . 11105 1 59 . 1 1 10 10 LYS CB C 13 33.535 0.300 . 1 . . . . 10 LYS CB . 11105 1 60 . 1 1 10 10 LYS CD C 13 29.209 0.300 . 1 . . . . 10 LYS CD . 11105 1 61 . 1 1 10 10 LYS CE C 13 42.274 0.300 . 1 . . . . 10 LYS CE . 11105 1 62 . 1 1 10 10 LYS CG C 13 25.211 0.300 . 1 . . . . 10 LYS CG . 11105 1 63 . 1 1 10 10 LYS N N 15 129.320 0.300 . 1 . . . . 10 LYS N . 11105 1 64 . 1 1 11 11 TYR H H 1 8.731 0.030 . 1 . . . . 11 TYR H . 11105 1 65 . 1 1 11 11 TYR HA H 1 4.854 0.030 . 1 . . . . 11 TYR HA . 11105 1 66 . 1 1 11 11 TYR HB2 H 1 2.953 0.030 . 2 . . . . 11 TYR HB2 . 11105 1 67 . 1 1 11 11 TYR HB3 H 1 2.851 0.030 . 2 . . . . 11 TYR HB3 . 11105 1 68 . 1 1 11 11 TYR HD1 H 1 7.239 0.030 . 1 . . . . 11 TYR HD1 . 11105 1 69 . 1 1 11 11 TYR HD2 H 1 7.239 0.030 . 1 . . . . 11 TYR HD2 . 11105 1 70 . 1 1 11 11 TYR HE1 H 1 6.716 0.030 . 1 . . . . 11 TYR HE1 . 11105 1 71 . 1 1 11 11 TYR HE2 H 1 6.716 0.030 . 1 . . . . 11 TYR HE2 . 11105 1 72 . 1 1 11 11 TYR C C 13 176.785 0.300 . 1 . . . . 11 TYR C . 11105 1 73 . 1 1 11 11 TYR CA C 13 57.298 0.300 . 1 . . . . 11 TYR CA . 11105 1 74 . 1 1 11 11 TYR CB C 13 38.397 0.300 . 1 . . . . 11 TYR CB . 11105 1 75 . 1 1 11 11 TYR CD1 C 13 133.123 0.300 . 1 . . . . 11 TYR CD1 . 11105 1 76 . 1 1 11 11 TYR CD2 C 13 133.123 0.300 . 1 . . . . 11 TYR CD2 . 11105 1 77 . 1 1 11 11 TYR CE1 C 13 117.807 0.300 . 1 . . . . 11 TYR CE1 . 11105 1 78 . 1 1 11 11 TYR CE2 C 13 117.807 0.300 . 1 . . . . 11 TYR CE2 . 11105 1 79 . 1 1 11 11 TYR N N 15 126.055 0.300 . 1 . . . . 11 TYR N . 11105 1 80 . 1 1 12 12 PHE H H 1 8.564 0.030 . 1 . . . . 12 PHE H . 11105 1 81 . 1 1 12 12 PHE HA H 1 4.717 0.030 . 1 . . . . 12 PHE HA . 11105 1 82 . 1 1 12 12 PHE HB2 H 1 2.317 0.030 . 2 . . . . 12 PHE HB2 . 11105 1 83 . 1 1 12 12 PHE HB3 H 1 3.209 0.030 . 2 . . . . 12 PHE HB3 . 11105 1 84 . 1 1 12 12 PHE HD1 H 1 6.707 0.030 . 1 . . . . 12 PHE HD1 . 11105 1 85 . 1 1 12 12 PHE HD2 H 1 6.707 0.030 . 1 . . . . 12 PHE HD2 . 11105 1 86 . 1 1 12 12 PHE HE1 H 1 6.588 0.030 . 1 . . . . 12 PHE HE1 . 11105 1 87 . 1 1 12 12 PHE HE2 H 1 6.588 0.030 . 1 . . . . 12 PHE HE2 . 11105 1 88 . 1 1 12 12 PHE HZ H 1 5.489 0.030 . 1 . . . . 12 PHE HZ . 11105 1 89 . 1 1 12 12 PHE C C 13 174.950 0.300 . 1 . . . . 12 PHE C . 11105 1 90 . 1 1 12 12 PHE CA C 13 56.196 0.300 . 1 . . . . 12 PHE CA . 11105 1 91 . 1 1 12 12 PHE CB C 13 41.955 0.300 . 1 . . . . 12 PHE CB . 11105 1 92 . 1 1 12 12 PHE CD1 C 13 129.881 0.300 . 1 . . . . 12 PHE CD1 . 11105 1 93 . 1 1 12 12 PHE CD2 C 13 129.881 0.300 . 1 . . . . 12 PHE CD2 . 11105 1 94 . 1 1 12 12 PHE CE1 C 13 130.478 0.300 . 1 . . . . 12 PHE CE1 . 11105 1 95 . 1 1 12 12 PHE CE2 C 13 130.478 0.300 . 1 . . . . 12 PHE CE2 . 11105 1 96 . 1 1 12 12 PHE CZ C 13 129.292 0.300 . 1 . . . . 12 PHE CZ . 11105 1 97 . 1 1 12 12 PHE N N 15 122.853 0.300 . 1 . . . . 12 PHE N . 11105 1 98 . 1 1 13 13 ASN H H 1 7.726 0.030 . 1 . . . . 13 ASN H . 11105 1 99 . 1 1 13 13 ASN HA H 1 4.033 0.030 . 1 . . . . 13 ASN HA . 11105 1 100 . 1 1 13 13 ASN HB2 H 1 2.683 0.030 . 2 . . . . 13 ASN HB2 . 11105 1 101 . 1 1 13 13 ASN HB3 H 1 2.597 0.030 . 2 . . . . 13 ASN HB3 . 11105 1 102 . 1 1 13 13 ASN HD21 H 1 7.699 0.030 . 2 . . . . 13 ASN HD21 . 11105 1 103 . 1 1 13 13 ASN HD22 H 1 7.115 0.030 . 2 . . . . 13 ASN HD22 . 11105 1 104 . 1 1 13 13 ASN C C 13 173.798 0.300 . 1 . . . . 13 ASN C . 11105 1 105 . 1 1 13 13 ASN CA C 13 51.481 0.300 . 1 . . . . 13 ASN CA . 11105 1 106 . 1 1 13 13 ASN CB C 13 39.835 0.300 . 1 . . . . 13 ASN CB . 11105 1 107 . 1 1 13 13 ASN N N 15 116.421 0.300 . 1 . . . . 13 ASN N . 11105 1 108 . 1 1 13 13 ASN ND2 N 15 114.464 0.300 . 1 . . . . 13 ASN ND2 . 11105 1 109 . 1 1 14 14 ASP H H 1 7.256 0.030 . 1 . . . . 14 ASP H . 11105 1 110 . 1 1 14 14 ASP HA H 1 3.842 0.030 . 1 . . . . 14 ASP HA . 11105 1 111 . 1 1 14 14 ASP HB2 H 1 2.744 0.030 . 2 . . . . 14 ASP HB2 . 11105 1 112 . 1 1 14 14 ASP HB3 H 1 2.531 0.030 . 2 . . . . 14 ASP HB3 . 11105 1 113 . 1 1 14 14 ASP C C 13 176.111 0.300 . 1 . . . . 14 ASP C . 11105 1 114 . 1 1 14 14 ASP CA C 13 56.577 0.300 . 1 . . . . 14 ASP CA . 11105 1 115 . 1 1 14 14 ASP CB C 13 40.785 0.300 . 1 . . . . 14 ASP CB . 11105 1 116 . 1 1 14 14 ASP N N 15 112.063 0.300 . 1 . . . . 14 ASP N . 11105 1 117 . 1 1 15 15 LYS H H 1 8.161 0.030 . 1 . . . . 15 LYS H . 11105 1 118 . 1 1 15 15 LYS HA H 1 4.396 0.030 . 1 . . . . 15 LYS HA . 11105 1 119 . 1 1 15 15 LYS HB2 H 1 1.863 0.030 . 1 . . . . 15 LYS HB2 . 11105 1 120 . 1 1 15 15 LYS HB3 H 1 1.863 0.030 . 1 . . . . 15 LYS HB3 . 11105 1 121 . 1 1 15 15 LYS HD2 H 1 1.623 0.030 . 1 . . . . 15 LYS HD2 . 11105 1 122 . 1 1 15 15 LYS HD3 H 1 1.623 0.030 . 1 . . . . 15 LYS HD3 . 11105 1 123 . 1 1 15 15 LYS HE2 H 1 2.983 0.030 . 2 . . . . 15 LYS HE2 . 11105 1 124 . 1 1 15 15 LYS HG2 H 1 1.441 0.030 . 2 . . . . 15 LYS HG2 . 11105 1 125 . 1 1 15 15 LYS HG3 H 1 1.350 0.030 . 2 . . . . 15 LYS HG3 . 11105 1 126 . 1 1 15 15 LYS C C 13 179.526 0.300 . 1 . . . . 15 LYS C . 11105 1 127 . 1 1 15 15 LYS CA C 13 56.710 0.300 . 1 . . . . 15 LYS CA . 11105 1 128 . 1 1 15 15 LYS CB C 13 33.303 0.300 . 1 . . . . 15 LYS CB . 11105 1 129 . 1 1 15 15 LYS CD C 13 28.647 0.300 . 1 . . . . 15 LYS CD . 11105 1 130 . 1 1 15 15 LYS CE C 13 42.278 0.300 . 1 . . . . 15 LYS CE . 11105 1 131 . 1 1 15 15 LYS CG C 13 24.674 0.300 . 1 . . . . 15 LYS CG . 11105 1 132 . 1 1 15 15 LYS N N 15 116.636 0.300 . 1 . . . . 15 LYS N . 11105 1 133 . 1 1 16 16 THR H H 1 8.341 0.030 . 1 . . . . 16 THR H . 11105 1 134 . 1 1 16 16 THR HA H 1 4.143 0.030 . 1 . . . . 16 THR HA . 11105 1 135 . 1 1 16 16 THR HB H 1 4.547 0.030 . 1 . . . . 16 THR HB . 11105 1 136 . 1 1 16 16 THR HG21 H 1 1.361 0.030 . 1 . . . . 16 THR HG2 . 11105 1 137 . 1 1 16 16 THR HG22 H 1 1.361 0.030 . 1 . . . . 16 THR HG2 . 11105 1 138 . 1 1 16 16 THR HG23 H 1 1.361 0.030 . 1 . . . . 16 THR HG2 . 11105 1 139 . 1 1 16 16 THR C C 13 176.646 0.300 . 1 . . . . 16 THR C . 11105 1 140 . 1 1 16 16 THR CA C 13 63.732 0.300 . 1 . . . . 16 THR CA . 11105 1 141 . 1 1 16 16 THR CB C 13 70.289 0.300 . 1 . . . . 16 THR CB . 11105 1 142 . 1 1 16 16 THR CG2 C 13 22.798 0.300 . 1 . . . . 16 THR CG2 . 11105 1 143 . 1 1 16 16 THR N N 15 109.782 0.300 . 1 . . . . 16 THR N . 11105 1 144 . 1 1 17 17 ILE H H 1 7.186 0.030 . 1 . . . . 17 ILE H . 11105 1 145 . 1 1 17 17 ILE HA H 1 2.477 0.030 . 1 . . . . 17 ILE HA . 11105 1 146 . 1 1 17 17 ILE HB H 1 0.928 0.030 . 1 . . . . 17 ILE HB . 11105 1 147 . 1 1 17 17 ILE HD11 H 1 -0.018 0.030 . 1 . . . . 17 ILE HD1 . 11105 1 148 . 1 1 17 17 ILE HD12 H 1 -0.018 0.030 . 1 . . . . 17 ILE HD1 . 11105 1 149 . 1 1 17 17 ILE HD13 H 1 -0.018 0.030 . 1 . . . . 17 ILE HD1 . 11105 1 150 . 1 1 17 17 ILE HG12 H 1 0.383 0.030 . 2 . . . . 17 ILE HG12 . 11105 1 151 . 1 1 17 17 ILE HG13 H 1 0.091 0.030 . 2 . . . . 17 ILE HG13 . 11105 1 152 . 1 1 17 17 ILE HG21 H 1 0.847 0.030 . 1 . . . . 17 ILE HG2 . 11105 1 153 . 1 1 17 17 ILE HG22 H 1 0.847 0.030 . 1 . . . . 17 ILE HG2 . 11105 1 154 . 1 1 17 17 ILE HG23 H 1 0.847 0.030 . 1 . . . . 17 ILE HG2 . 11105 1 155 . 1 1 17 17 ILE C C 13 174.075 0.300 . 1 . . . . 17 ILE C . 11105 1 156 . 1 1 17 17 ILE CA C 13 64.082 0.300 . 1 . . . . 17 ILE CA . 11105 1 157 . 1 1 17 17 ILE CB C 13 37.085 0.300 . 1 . . . . 17 ILE CB . 11105 1 158 . 1 1 17 17 ILE CD1 C 13 14.412 0.300 . 1 . . . . 17 ILE CD1 . 11105 1 159 . 1 1 17 17 ILE CG1 C 13 28.062 0.300 . 1 . . . . 17 ILE CG1 . 11105 1 160 . 1 1 17 17 ILE CG2 C 13 14.384 0.300 . 1 . . . . 17 ILE CG2 . 11105 1 161 . 1 1 17 17 ILE N N 15 118.756 0.300 . 1 . . . . 17 ILE N . 11105 1 162 . 1 1 18 18 ASP H H 1 6.513 0.030 . 1 . . . . 18 ASP H . 11105 1 163 . 1 1 18 18 ASP HA H 1 3.886 0.030 . 1 . . . . 18 ASP HA . 11105 1 164 . 1 1 18 18 ASP HB2 H 1 2.557 0.030 . 1 . . . . 18 ASP HB2 . 11105 1 165 . 1 1 18 18 ASP HB3 H 1 2.557 0.030 . 1 . . . . 18 ASP HB3 . 11105 1 166 . 1 1 18 18 ASP C C 13 178.366 0.300 . 1 . . . . 18 ASP C . 11105 1 167 . 1 1 18 18 ASP CA C 13 56.972 0.300 . 1 . . . . 18 ASP CA . 11105 1 168 . 1 1 18 18 ASP CB C 13 40.141 0.300 . 1 . . . . 18 ASP CB . 11105 1 169 . 1 1 18 18 ASP N N 15 120.123 0.300 . 1 . . . . 18 ASP N . 11105 1 170 . 1 1 19 19 GLU H H 1 7.269 0.030 . 1 . . . . 19 GLU H . 11105 1 171 . 1 1 19 19 GLU HA H 1 3.803 0.030 . 1 . . . . 19 GLU HA . 11105 1 172 . 1 1 19 19 GLU HB2 H 1 1.882 0.030 . 2 . . . . 19 GLU HB2 . 11105 1 173 . 1 1 19 19 GLU HG2 H 1 2.288 0.030 . 2 . . . . 19 GLU HG2 . 11105 1 174 . 1 1 19 19 GLU HG3 H 1 2.100 0.030 . 2 . . . . 19 GLU HG3 . 11105 1 175 . 1 1 19 19 GLU C C 13 179.263 0.300 . 1 . . . . 19 GLU C . 11105 1 176 . 1 1 19 19 GLU CA C 13 58.734 0.300 . 1 . . . . 19 GLU CA . 11105 1 177 . 1 1 19 19 GLU CB C 13 30.100 0.300 . 1 . . . . 19 GLU CB . 11105 1 178 . 1 1 19 19 GLU CG C 13 36.144 0.300 . 1 . . . . 19 GLU CG . 11105 1 179 . 1 1 19 19 GLU N N 15 116.476 0.300 . 1 . . . . 19 GLU N . 11105 1 180 . 1 1 20 20 GLU H H 1 8.112 0.030 . 1 . . . . 20 GLU H . 11105 1 181 . 1 1 20 20 GLU HA H 1 3.955 0.030 . 1 . . . . 20 GLU HA . 11105 1 182 . 1 1 20 20 GLU HB2 H 1 1.624 0.030 . 2 . . . . 20 GLU HB2 . 11105 1 183 . 1 1 20 20 GLU HB3 H 1 1.589 0.030 . 2 . . . . 20 GLU HB3 . 11105 1 184 . 1 1 20 20 GLU HG2 H 1 2.249 0.030 . 2 . . . . 20 GLU HG2 . 11105 1 185 . 1 1 20 20 GLU HG3 H 1 2.109 0.030 . 2 . . . . 20 GLU HG3 . 11105 1 186 . 1 1 20 20 GLU C C 13 179.153 0.300 . 1 . . . . 20 GLU C . 11105 1 187 . 1 1 20 20 GLU CA C 13 58.630 0.300 . 1 . . . . 20 GLU CA . 11105 1 188 . 1 1 20 20 GLU CB C 13 29.307 0.300 . 1 . . . . 20 GLU CB . 11105 1 189 . 1 1 20 20 GLU CG C 13 36.068 0.300 . 1 . . . . 20 GLU CG . 11105 1 190 . 1 1 20 20 GLU N N 15 118.164 0.300 . 1 . . . . 20 GLU N . 11105 1 191 . 1 1 21 21 LEU H H 1 7.252 0.030 . 1 . . . . 21 LEU H . 11105 1 192 . 1 1 21 21 LEU HA H 1 3.601 0.030 . 1 . . . . 21 LEU HA . 11105 1 193 . 1 1 21 21 LEU HB2 H 1 1.429 0.030 . 2 . . . . 21 LEU HB2 . 11105 1 194 . 1 1 21 21 LEU HB3 H 1 0.837 0.030 . 2 . . . . 21 LEU HB3 . 11105 1 195 . 1 1 21 21 LEU HD11 H 1 -0.388 0.030 . 1 . . . . 21 LEU HD1 . 11105 1 196 . 1 1 21 21 LEU HD12 H 1 -0.388 0.030 . 1 . . . . 21 LEU HD1 . 11105 1 197 . 1 1 21 21 LEU HD13 H 1 -0.388 0.030 . 1 . . . . 21 LEU HD1 . 11105 1 198 . 1 1 21 21 LEU HD21 H 1 -0.335 0.030 . 1 . . . . 21 LEU HD2 . 11105 1 199 . 1 1 21 21 LEU HD22 H 1 -0.335 0.030 . 1 . . . . 21 LEU HD2 . 11105 1 200 . 1 1 21 21 LEU HD23 H 1 -0.335 0.030 . 1 . . . . 21 LEU HD2 . 11105 1 201 . 1 1 21 21 LEU HG H 1 0.957 0.030 . 1 . . . . 21 LEU HG . 11105 1 202 . 1 1 21 21 LEU C C 13 178.936 0.300 . 1 . . . . 21 LEU C . 11105 1 203 . 1 1 21 21 LEU CA C 13 57.307 0.300 . 1 . . . . 21 LEU CA . 11105 1 204 . 1 1 21 21 LEU CB C 13 41.415 0.300 . 1 . . . . 21 LEU CB . 11105 1 205 . 1 1 21 21 LEU CD1 C 13 24.015 0.300 . 2 . . . . 21 LEU CD1 . 11105 1 206 . 1 1 21 21 LEU CD2 C 13 21.732 0.300 . 2 . . . . 21 LEU CD2 . 11105 1 207 . 1 1 21 21 LEU CG C 13 26.102 0.300 . 1 . . . . 21 LEU CG . 11105 1 208 . 1 1 21 21 LEU N N 15 117.631 0.300 . 1 . . . . 21 LEU N . 11105 1 209 . 1 1 22 22 GLU H H 1 7.120 0.030 . 1 . . . . 22 GLU H . 11105 1 210 . 1 1 22 22 GLU HA H 1 4.082 0.030 . 1 . . . . 22 GLU HA . 11105 1 211 . 1 1 22 22 GLU HB2 H 1 1.979 0.030 . 2 . . . . 22 GLU HB2 . 11105 1 212 . 1 1 22 22 GLU HB3 H 1 1.905 0.030 . 2 . . . . 22 GLU HB3 . 11105 1 213 . 1 1 22 22 GLU HG2 H 1 2.256 0.030 . 1 . . . . 22 GLU HG2 . 11105 1 214 . 1 1 22 22 GLU HG3 H 1 2.256 0.030 . 1 . . . . 22 GLU HG3 . 11105 1 215 . 1 1 22 22 GLU C C 13 177.382 0.300 . 1 . . . . 22 GLU C . 11105 1 216 . 1 1 22 22 GLU CA C 13 56.607 0.300 . 1 . . . . 22 GLU CA . 11105 1 217 . 1 1 22 22 GLU CB C 13 30.356 0.300 . 1 . . . . 22 GLU CB . 11105 1 218 . 1 1 22 22 GLU CG C 13 36.172 0.300 . 1 . . . . 22 GLU CG . 11105 1 219 . 1 1 22 22 GLU N N 15 113.565 0.300 . 1 . . . . 22 GLU N . 11105 1 220 . 1 1 23 23 ARG H H 1 7.386 0.030 . 1 . . . . 23 ARG H . 11105 1 221 . 1 1 23 23 ARG HA H 1 3.932 0.030 . 1 . . . . 23 ARG HA . 11105 1 222 . 1 1 23 23 ARG HB2 H 1 2.085 0.030 . 2 . . . . 23 ARG HB2 . 11105 1 223 . 1 1 23 23 ARG HB3 H 1 1.835 0.030 . 2 . . . . 23 ARG HB3 . 11105 1 224 . 1 1 23 23 ARG HD2 H 1 3.308 0.030 . 1 . . . . 23 ARG HD2 . 11105 1 225 . 1 1 23 23 ARG HD3 H 1 3.308 0.030 . 1 . . . . 23 ARG HD3 . 11105 1 226 . 1 1 23 23 ARG HE H 1 7.754 0.030 . 1 . . . . 23 ARG HE . 11105 1 227 . 1 1 23 23 ARG HG2 H 1 1.707 0.030 . 2 . . . . 23 ARG HG2 . 11105 1 228 . 1 1 23 23 ARG HG3 H 1 1.638 0.030 . 2 . . . . 23 ARG HG3 . 11105 1 229 . 1 1 23 23 ARG C C 13 176.667 0.300 . 1 . . . . 23 ARG C . 11105 1 230 . 1 1 23 23 ARG CA C 13 59.676 0.300 . 1 . . . . 23 ARG CA . 11105 1 231 . 1 1 23 23 ARG CB C 13 30.569 0.300 . 1 . . . . 23 ARG CB . 11105 1 232 . 1 1 23 23 ARG CD C 13 43.170 0.300 . 1 . . . . 23 ARG CD . 11105 1 233 . 1 1 23 23 ARG CG C 13 26.755 0.300 . 1 . . . . 23 ARG CG . 11105 1 234 . 1 1 23 23 ARG N N 15 119.473 0.300 . 1 . . . . 23 ARG N . 11105 1 235 . 1 1 23 23 ARG NE N 15 83.349 0.300 . 1 . . . . 23 ARG NE . 11105 1 236 . 1 1 24 24 ASP H H 1 7.466 0.030 . 1 . . . . 24 ASP H . 11105 1 237 . 1 1 24 24 ASP HA H 1 4.775 0.030 . 1 . . . . 24 ASP HA . 11105 1 238 . 1 1 24 24 ASP HB2 H 1 3.003 0.030 . 2 . . . . 24 ASP HB2 . 11105 1 239 . 1 1 24 24 ASP HB3 H 1 2.527 0.030 . 2 . . . . 24 ASP HB3 . 11105 1 240 . 1 1 24 24 ASP C C 13 177.272 0.300 . 1 . . . . 24 ASP C . 11105 1 241 . 1 1 24 24 ASP CA C 13 53.490 0.300 . 1 . . . . 24 ASP CA . 11105 1 242 . 1 1 24 24 ASP CB C 13 41.970 0.300 . 1 . . . . 24 ASP CB . 11105 1 243 . 1 1 24 24 ASP N N 15 114.484 0.300 . 1 . . . . 24 ASP N . 11105 1 244 . 1 1 25 25 LYS HA H 1 4.308 0.030 . 1 . . . . 25 LYS HA . 11105 1 245 . 1 1 25 25 LYS HB2 H 1 1.958 0.030 . 2 . . . . 25 LYS HB2 . 11105 1 246 . 1 1 25 25 LYS HB3 H 1 1.784 0.030 . 2 . . . . 25 LYS HB3 . 11105 1 247 . 1 1 25 25 LYS HE2 H 1 3.052 0.030 . 2 . . . . 25 LYS HE2 . 11105 1 248 . 1 1 25 25 LYS HG2 H 1 1.564 0.030 . 2 . . . . 25 LYS HG2 . 11105 1 249 . 1 1 25 25 LYS HG3 H 1 1.366 0.030 . 2 . . . . 25 LYS HG3 . 11105 1 250 . 1 1 25 25 LYS C C 13 176.577 0.300 . 1 . . . . 25 LYS C . 11105 1 251 . 1 1 25 25 LYS CA C 13 57.974 0.300 . 1 . . . . 25 LYS CA . 11105 1 252 . 1 1 25 25 LYS CB C 13 32.259 0.300 . 1 . . . . 25 LYS CB . 11105 1 253 . 1 1 25 25 LYS CD C 13 28.981 0.300 . 1 . . . . 25 LYS CD . 11105 1 254 . 1 1 25 25 LYS CE C 13 42.365 0.300 . 1 . . . . 25 LYS CE . 11105 1 255 . 1 1 25 25 LYS CG C 13 25.980 0.300 . 1 . . . . 25 LYS CG . 11105 1 256 . 1 1 26 26 ARG H H 1 8.644 0.030 . 1 . . . . 26 ARG H . 11105 1 257 . 1 1 26 26 ARG HA H 1 4.349 0.030 . 1 . . . . 26 ARG HA . 11105 1 258 . 1 1 26 26 ARG HB2 H 1 2.027 0.030 . 2 . . . . 26 ARG HB2 . 11105 1 259 . 1 1 26 26 ARG HB3 H 1 1.957 0.030 . 2 . . . . 26 ARG HB3 . 11105 1 260 . 1 1 26 26 ARG HD2 H 1 3.281 0.030 . 2 . . . . 26 ARG HD2 . 11105 1 261 . 1 1 26 26 ARG HD3 H 1 3.213 0.030 . 2 . . . . 26 ARG HD3 . 11105 1 262 . 1 1 26 26 ARG HG2 H 1 1.710 0.030 . 1 . . . . 26 ARG HG2 . 11105 1 263 . 1 1 26 26 ARG HG3 H 1 1.710 0.030 . 1 . . . . 26 ARG HG3 . 11105 1 264 . 1 1 26 26 ARG C C 13 176.893 0.300 . 1 . . . . 26 ARG C . 11105 1 265 . 1 1 26 26 ARG CA C 13 56.842 0.300 . 1 . . . . 26 ARG CA . 11105 1 266 . 1 1 26 26 ARG CB C 13 30.252 0.300 . 1 . . . . 26 ARG CB . 11105 1 267 . 1 1 26 26 ARG CD C 13 43.375 0.300 . 1 . . . . 26 ARG CD . 11105 1 268 . 1 1 26 26 ARG CG C 13 27.044 0.300 . 1 . . . . 26 ARG CG . 11105 1 269 . 1 1 26 26 ARG N N 15 117.940 0.300 . 1 . . . . 26 ARG N . 11105 1 270 . 1 1 27 27 VAL H H 1 7.303 0.030 . 1 . . . . 27 VAL H . 11105 1 271 . 1 1 27 27 VAL HA H 1 4.009 0.030 . 1 . . . . 27 VAL HA . 11105 1 272 . 1 1 27 27 VAL HB H 1 2.055 0.030 . 1 . . . . 27 VAL HB . 11105 1 273 . 1 1 27 27 VAL HG11 H 1 0.504 0.030 . 1 . . . . 27 VAL HG1 . 11105 1 274 . 1 1 27 27 VAL HG12 H 1 0.504 0.030 . 1 . . . . 27 VAL HG1 . 11105 1 275 . 1 1 27 27 VAL HG13 H 1 0.504 0.030 . 1 . . . . 27 VAL HG1 . 11105 1 276 . 1 1 27 27 VAL HG21 H 1 0.916 0.030 . 1 . . . . 27 VAL HG2 . 11105 1 277 . 1 1 27 27 VAL HG22 H 1 0.916 0.030 . 1 . . . . 27 VAL HG2 . 11105 1 278 . 1 1 27 27 VAL HG23 H 1 0.916 0.030 . 1 . . . . 27 VAL HG2 . 11105 1 279 . 1 1 27 27 VAL C C 13 175.607 0.300 . 1 . . . . 27 VAL C . 11105 1 280 . 1 1 27 27 VAL CA C 13 62.310 0.300 . 1 . . . . 27 VAL CA . 11105 1 281 . 1 1 27 27 VAL CB C 13 33.759 0.300 . 1 . . . . 27 VAL CB . 11105 1 282 . 1 1 27 27 VAL CG1 C 13 20.625 0.300 . 2 . . . . 27 VAL CG1 . 11105 1 283 . 1 1 27 27 VAL CG2 C 13 21.165 0.300 . 2 . . . . 27 VAL CG2 . 11105 1 284 . 1 1 27 27 VAL N N 15 119.055 0.300 . 1 . . . . 27 VAL N . 11105 1 285 . 1 1 28 28 THR H H 1 8.291 0.030 . 1 . . . . 28 THR H . 11105 1 286 . 1 1 28 28 THR HA H 1 4.884 0.030 . 1 . . . . 28 THR HA . 11105 1 287 . 1 1 28 28 THR HB H 1 4.223 0.030 . 1 . . . . 28 THR HB . 11105 1 288 . 1 1 28 28 THR HG21 H 1 1.289 0.030 . 1 . . . . 28 THR HG2 . 11105 1 289 . 1 1 28 28 THR HG22 H 1 1.289 0.030 . 1 . . . . 28 THR HG2 . 11105 1 290 . 1 1 28 28 THR HG23 H 1 1.289 0.030 . 1 . . . . 28 THR HG2 . 11105 1 291 . 1 1 28 28 THR C C 13 172.914 0.300 . 1 . . . . 28 THR C . 11105 1 292 . 1 1 28 28 THR CA C 13 63.149 0.300 . 1 . . . . 28 THR CA . 11105 1 293 . 1 1 28 28 THR CB C 13 69.520 0.300 . 1 . . . . 28 THR CB . 11105 1 294 . 1 1 28 28 THR CG2 C 13 22.744 0.300 . 1 . . . . 28 THR CG2 . 11105 1 295 . 1 1 28 28 THR N N 15 124.900 0.300 . 1 . . . . 28 THR N . 11105 1 296 . 1 1 29 29 TRP H H 1 8.679 0.030 . 1 . . . . 29 TRP H . 11105 1 297 . 1 1 29 29 TRP HA H 1 5.350 0.030 . 1 . . . . 29 TRP HA . 11105 1 298 . 1 1 29 29 TRP HB2 H 1 2.934 0.030 . 2 . . . . 29 TRP HB2 . 11105 1 299 . 1 1 29 29 TRP HB3 H 1 3.068 0.030 . 2 . . . . 29 TRP HB3 . 11105 1 300 . 1 1 29 29 TRP HD1 H 1 7.260 0.030 . 1 . . . . 29 TRP HD1 . 11105 1 301 . 1 1 29 29 TRP HE1 H 1 10.090 0.030 . 1 . . . . 29 TRP HE1 . 11105 1 302 . 1 1 29 29 TRP HE3 H 1 7.292 0.030 . 1 . . . . 29 TRP HE3 . 11105 1 303 . 1 1 29 29 TRP HH2 H 1 7.073 0.030 . 1 . . . . 29 TRP HH2 . 11105 1 304 . 1 1 29 29 TRP HZ2 H 1 7.645 0.030 . 1 . . . . 29 TRP HZ2 . 11105 1 305 . 1 1 29 29 TRP HZ3 H 1 6.758 0.030 . 1 . . . . 29 TRP HZ3 . 11105 1 306 . 1 1 29 29 TRP C C 13 175.272 0.300 . 1 . . . . 29 TRP C . 11105 1 307 . 1 1 29 29 TRP CA C 13 56.313 0.300 . 1 . . . . 29 TRP CA . 11105 1 308 . 1 1 29 29 TRP CB C 13 33.788 0.300 . 1 . . . . 29 TRP CB . 11105 1 309 . 1 1 29 29 TRP CD1 C 13 126.745 0.300 . 1 . . . . 29 TRP CD1 . 11105 1 310 . 1 1 29 29 TRP CE3 C 13 119.471 0.300 . 1 . . . . 29 TRP CE3 . 11105 1 311 . 1 1 29 29 TRP CH2 C 13 123.909 0.300 . 1 . . . . 29 TRP CH2 . 11105 1 312 . 1 1 29 29 TRP CZ2 C 13 115.329 0.300 . 1 . . . . 29 TRP CZ2 . 11105 1 313 . 1 1 29 29 TRP CZ3 C 13 121.781 0.300 . 1 . . . . 29 TRP CZ3 . 11105 1 314 . 1 1 29 29 TRP N N 15 126.176 0.300 . 1 . . . . 29 TRP N . 11105 1 315 . 1 1 29 29 TRP NE1 N 15 129.021 0.300 . 1 . . . . 29 TRP NE1 . 11105 1 316 . 1 1 30 30 ILE H H 1 9.039 0.030 . 1 . . . . 30 ILE H . 11105 1 317 . 1 1 30 30 ILE HA H 1 5.285 0.030 . 1 . . . . 30 ILE HA . 11105 1 318 . 1 1 30 30 ILE HB H 1 1.302 0.030 . 1 . . . . 30 ILE HB . 11105 1 319 . 1 1 30 30 ILE HD11 H 1 0.362 0.030 . 1 . . . . 30 ILE HD1 . 11105 1 320 . 1 1 30 30 ILE HD12 H 1 0.362 0.030 . 1 . . . . 30 ILE HD1 . 11105 1 321 . 1 1 30 30 ILE HD13 H 1 0.362 0.030 . 1 . . . . 30 ILE HD1 . 11105 1 322 . 1 1 30 30 ILE HG12 H 1 0.990 0.030 . 2 . . . . 30 ILE HG12 . 11105 1 323 . 1 1 30 30 ILE HG13 H 1 1.237 0.030 . 2 . . . . 30 ILE HG13 . 11105 1 324 . 1 1 30 30 ILE HG21 H 1 0.497 0.030 . 1 . . . . 30 ILE HG2 . 11105 1 325 . 1 1 30 30 ILE HG22 H 1 0.497 0.030 . 1 . . . . 30 ILE HG2 . 11105 1 326 . 1 1 30 30 ILE HG23 H 1 0.497 0.030 . 1 . . . . 30 ILE HG2 . 11105 1 327 . 1 1 30 30 ILE C C 13 173.965 0.300 . 1 . . . . 30 ILE C . 11105 1 328 . 1 1 30 30 ILE CA C 13 59.753 0.300 . 1 . . . . 30 ILE CA . 11105 1 329 . 1 1 30 30 ILE CB C 13 40.937 0.300 . 1 . . . . 30 ILE CB . 11105 1 330 . 1 1 30 30 ILE CD1 C 13 13.902 0.300 . 1 . . . . 30 ILE CD1 . 11105 1 331 . 1 1 30 30 ILE CG1 C 13 28.865 0.300 . 1 . . . . 30 ILE CG1 . 11105 1 332 . 1 1 30 30 ILE CG2 C 13 15.642 0.300 . 1 . . . . 30 ILE CG2 . 11105 1 333 . 1 1 30 30 ILE N N 15 123.601 0.300 . 1 . . . . 30 ILE N . 11105 1 334 . 1 1 31 31 VAL H H 1 9.150 0.030 . 1 . . . . 31 VAL H . 11105 1 335 . 1 1 31 31 VAL HA H 1 4.703 0.030 . 1 . . . . 31 VAL HA . 11105 1 336 . 1 1 31 31 VAL HB H 1 2.198 0.030 . 1 . . . . 31 VAL HB . 11105 1 337 . 1 1 31 31 VAL HG11 H 1 0.215 0.030 . 1 . . . . 31 VAL HG1 . 11105 1 338 . 1 1 31 31 VAL HG12 H 1 0.215 0.030 . 1 . . . . 31 VAL HG1 . 11105 1 339 . 1 1 31 31 VAL HG13 H 1 0.215 0.030 . 1 . . . . 31 VAL HG1 . 11105 1 340 . 1 1 31 31 VAL HG21 H 1 1.052 0.030 . 1 . . . . 31 VAL HG2 . 11105 1 341 . 1 1 31 31 VAL HG22 H 1 1.052 0.030 . 1 . . . . 31 VAL HG2 . 11105 1 342 . 1 1 31 31 VAL HG23 H 1 1.052 0.030 . 1 . . . . 31 VAL HG2 . 11105 1 343 . 1 1 31 31 VAL C C 13 173.765 0.300 . 1 . . . . 31 VAL C . 11105 1 344 . 1 1 31 31 VAL CA C 13 60.708 0.300 . 1 . . . . 31 VAL CA . 11105 1 345 . 1 1 31 31 VAL CB C 13 35.772 0.300 . 1 . . . . 31 VAL CB . 11105 1 346 . 1 1 31 31 VAL CG1 C 13 22.068 0.300 . 2 . . . . 31 VAL CG1 . 11105 1 347 . 1 1 31 31 VAL CG2 C 13 23.231 0.300 . 2 . . . . 31 VAL CG2 . 11105 1 348 . 1 1 31 31 VAL N N 15 124.993 0.300 . 1 . . . . 31 VAL N . 11105 1 349 . 1 1 32 32 GLU H H 1 7.956 0.030 . 1 . . . . 32 GLU H . 11105 1 350 . 1 1 32 32 GLU HA H 1 5.090 0.030 . 1 . . . . 32 GLU HA . 11105 1 351 . 1 1 32 32 GLU HB2 H 1 1.897 0.030 . 2 . . . . 32 GLU HB2 . 11105 1 352 . 1 1 32 32 GLU HB3 H 1 0.927 0.030 . 2 . . . . 32 GLU HB3 . 11105 1 353 . 1 1 32 32 GLU HG2 H 1 1.930 0.030 . 2 . . . . 32 GLU HG2 . 11105 1 354 . 1 1 32 32 GLU HG3 H 1 1.886 0.030 . 2 . . . . 32 GLU HG3 . 11105 1 355 . 1 1 32 32 GLU C C 13 174.512 0.300 . 1 . . . . 32 GLU C . 11105 1 356 . 1 1 32 32 GLU CA C 13 54.526 0.300 . 1 . . . . 32 GLU CA . 11105 1 357 . 1 1 32 32 GLU CB C 13 30.774 0.300 . 1 . . . . 32 GLU CB . 11105 1 358 . 1 1 32 32 GLU CG C 13 34.144 0.300 . 1 . . . . 32 GLU CG . 11105 1 359 . 1 1 32 32 GLU N N 15 127.866 0.300 . 1 . . . . 32 GLU N . 11105 1 360 . 1 1 33 33 PHE H H 1 9.852 0.030 . 1 . . . . 33 PHE H . 11105 1 361 . 1 1 33 33 PHE HA H 1 5.154 0.030 . 1 . . . . 33 PHE HA . 11105 1 362 . 1 1 33 33 PHE HB2 H 1 3.183 0.030 . 2 . . . . 33 PHE HB2 . 11105 1 363 . 1 1 33 33 PHE HB3 H 1 2.633 0.030 . 2 . . . . 33 PHE HB3 . 11105 1 364 . 1 1 33 33 PHE HD1 H 1 7.112 0.030 . 1 . . . . 33 PHE HD1 . 11105 1 365 . 1 1 33 33 PHE HD2 H 1 7.112 0.030 . 1 . . . . 33 PHE HD2 . 11105 1 366 . 1 1 33 33 PHE HE1 H 1 6.779 0.030 . 1 . . . . 33 PHE HE1 . 11105 1 367 . 1 1 33 33 PHE HE2 H 1 6.779 0.030 . 1 . . . . 33 PHE HE2 . 11105 1 368 . 1 1 33 33 PHE HZ H 1 6.458 0.030 . 1 . . . . 33 PHE HZ . 11105 1 369 . 1 1 33 33 PHE C C 13 174.388 0.300 . 1 . . . . 33 PHE C . 11105 1 370 . 1 1 33 33 PHE CA C 13 56.546 0.300 . 1 . . . . 33 PHE CA . 11105 1 371 . 1 1 33 33 PHE CB C 13 39.442 0.300 . 1 . . . . 33 PHE CB . 11105 1 372 . 1 1 33 33 PHE CD1 C 13 131.655 0.300 . 1 . . . . 33 PHE CD1 . 11105 1 373 . 1 1 33 33 PHE CD2 C 13 131.655 0.300 . 1 . . . . 33 PHE CD2 . 11105 1 374 . 1 1 33 33 PHE CE1 C 13 131.069 0.300 . 1 . . . . 33 PHE CE1 . 11105 1 375 . 1 1 33 33 PHE CE2 C 13 131.069 0.300 . 1 . . . . 33 PHE CE2 . 11105 1 376 . 1 1 33 33 PHE CZ C 13 128.241 0.300 . 1 . . . . 33 PHE CZ . 11105 1 377 . 1 1 33 33 PHE N N 15 131.141 0.300 . 1 . . . . 33 PHE N . 11105 1 378 . 1 1 34 34 PHE H H 1 8.725 0.030 . 1 . . . . 34 PHE H . 11105 1 379 . 1 1 34 34 PHE HA H 1 5.330 0.030 . 1 . . . . 34 PHE HA . 11105 1 380 . 1 1 34 34 PHE HB2 H 1 3.019 0.030 . 2 . . . . 34 PHE HB2 . 11105 1 381 . 1 1 34 34 PHE HB3 H 1 2.770 0.030 . 2 . . . . 34 PHE HB3 . 11105 1 382 . 1 1 34 34 PHE HD1 H 1 6.797 0.030 . 1 . . . . 34 PHE HD1 . 11105 1 383 . 1 1 34 34 PHE HD2 H 1 6.797 0.030 . 1 . . . . 34 PHE HD2 . 11105 1 384 . 1 1 34 34 PHE HE1 H 1 7.128 0.030 . 1 . . . . 34 PHE HE1 . 11105 1 385 . 1 1 34 34 PHE HE2 H 1 7.128 0.030 . 1 . . . . 34 PHE HE2 . 11105 1 386 . 1 1 34 34 PHE HZ H 1 7.504 0.030 . 1 . . . . 34 PHE HZ . 11105 1 387 . 1 1 34 34 PHE C C 13 171.238 0.300 . 1 . . . . 34 PHE C . 11105 1 388 . 1 1 34 34 PHE CA C 13 54.681 0.300 . 1 . . . . 34 PHE CA . 11105 1 389 . 1 1 34 34 PHE CB C 13 44.621 0.300 . 1 . . . . 34 PHE CB . 11105 1 390 . 1 1 34 34 PHE CD1 C 13 132.326 0.300 . 1 . . . . 34 PHE CD1 . 11105 1 391 . 1 1 34 34 PHE CD2 C 13 132.326 0.300 . 1 . . . . 34 PHE CD2 . 11105 1 392 . 1 1 34 34 PHE CE1 C 13 130.933 0.300 . 1 . . . . 34 PHE CE1 . 11105 1 393 . 1 1 34 34 PHE CE2 C 13 130.933 0.300 . 1 . . . . 34 PHE CE2 . 11105 1 394 . 1 1 34 34 PHE CZ C 13 130.131 0.300 . 1 . . . . 34 PHE CZ . 11105 1 395 . 1 1 34 34 PHE N N 15 119.953 0.300 . 1 . . . . 34 PHE N . 11105 1 396 . 1 1 35 35 ALA H H 1 7.223 0.030 . 1 . . . . 35 ALA H . 11105 1 397 . 1 1 35 35 ALA HA H 1 4.172 0.030 . 1 . . . . 35 ALA HA . 11105 1 398 . 1 1 35 35 ALA HB1 H 1 0.066 0.030 . 1 . . . . 35 ALA HB . 11105 1 399 . 1 1 35 35 ALA HB2 H 1 0.066 0.030 . 1 . . . . 35 ALA HB . 11105 1 400 . 1 1 35 35 ALA HB3 H 1 0.066 0.030 . 1 . . . . 35 ALA HB . 11105 1 401 . 1 1 35 35 ALA C C 13 178.491 0.300 . 1 . . . . 35 ALA C . 11105 1 402 . 1 1 35 35 ALA CA C 13 51.095 0.300 . 1 . . . . 35 ALA CA . 11105 1 403 . 1 1 35 35 ALA CB C 13 21.415 0.300 . 1 . . . . 35 ALA CB . 11105 1 404 . 1 1 35 35 ALA N N 15 118.000 0.300 . 1 . . . . 35 ALA N . 11105 1 405 . 1 1 36 36 ASN H H 1 9.767 0.030 . 1 . . . . 36 ASN H . 11105 1 406 . 1 1 36 36 ASN HA H 1 4.481 0.030 . 1 . . . . 36 ASN HA . 11105 1 407 . 1 1 36 36 ASN HB2 H 1 2.910 0.030 . 2 . . . . 36 ASN HB2 . 11105 1 408 . 1 1 36 36 ASN HB3 H 1 2.864 0.030 . 2 . . . . 36 ASN HB3 . 11105 1 409 . 1 1 36 36 ASN HD21 H 1 7.776 0.030 . 2 . . . . 36 ASN HD21 . 11105 1 410 . 1 1 36 36 ASN HD22 H 1 6.990 0.030 . 2 . . . . 36 ASN HD22 . 11105 1 411 . 1 1 36 36 ASN C C 13 175.552 0.300 . 1 . . . . 36 ASN C . 11105 1 412 . 1 1 36 36 ASN CA C 13 55.851 0.300 . 1 . . . . 36 ASN CA . 11105 1 413 . 1 1 36 36 ASN CB C 13 38.670 0.300 . 1 . . . . 36 ASN CB . 11105 1 414 . 1 1 36 36 ASN N N 15 121.216 0.300 . 1 . . . . 36 ASN N . 11105 1 415 . 1 1 36 36 ASN ND2 N 15 114.199 0.300 . 1 . . . . 36 ASN ND2 . 11105 1 416 . 1 1 37 37 TRP H H 1 6.555 0.030 . 1 . . . . 37 TRP H . 11105 1 417 . 1 1 37 37 TRP HA H 1 4.614 0.030 . 1 . . . . 37 TRP HA . 11105 1 418 . 1 1 37 37 TRP HB2 H 1 3.640 0.030 . 2 . . . . 37 TRP HB2 . 11105 1 419 . 1 1 37 37 TRP HB3 H 1 3.204 0.030 . 2 . . . . 37 TRP HB3 . 11105 1 420 . 1 1 37 37 TRP HD1 H 1 7.295 0.030 . 1 . . . . 37 TRP HD1 . 11105 1 421 . 1 1 37 37 TRP HE1 H 1 10.346 0.030 . 1 . . . . 37 TRP HE1 . 11105 1 422 . 1 1 37 37 TRP HE3 H 1 7.460 0.030 . 1 . . . . 37 TRP HE3 . 11105 1 423 . 1 1 37 37 TRP HH2 H 1 7.191 0.030 . 1 . . . . 37 TRP HH2 . 11105 1 424 . 1 1 37 37 TRP HZ2 H 1 7.401 0.030 . 1 . . . . 37 TRP HZ2 . 11105 1 425 . 1 1 37 37 TRP HZ3 H 1 7.185 0.030 . 1 . . . . 37 TRP HZ3 . 11105 1 426 . 1 1 37 37 TRP C C 13 176.304 0.300 . 1 . . . . 37 TRP C . 11105 1 427 . 1 1 37 37 TRP CA C 13 55.167 0.300 . 1 . . . . 37 TRP CA . 11105 1 428 . 1 1 37 37 TRP CB C 13 28.768 0.300 . 1 . . . . 37 TRP CB . 11105 1 429 . 1 1 37 37 TRP CD1 C 13 128.734 0.300 . 1 . . . . 37 TRP CD1 . 11105 1 430 . 1 1 37 37 TRP CE3 C 13 120.848 0.300 . 1 . . . . 37 TRP CE3 . 11105 1 431 . 1 1 37 37 TRP CH2 C 13 125.419 0.300 . 1 . . . . 37 TRP CH2 . 11105 1 432 . 1 1 37 37 TRP CZ2 C 13 114.448 0.300 . 1 . . . . 37 TRP CZ2 . 11105 1 433 . 1 1 37 37 TRP CZ3 C 13 122.320 0.300 . 1 . . . . 37 TRP CZ3 . 11105 1 434 . 1 1 37 37 TRP N N 15 112.272 0.300 . 1 . . . . 37 TRP N . 11105 1 435 . 1 1 37 37 TRP NE1 N 15 131.123 0.300 . 1 . . . . 37 TRP NE1 . 11105 1 436 . 1 1 38 38 SER H H 1 6.648 0.030 . 1 . . . . 38 SER H . 11105 1 437 . 1 1 38 38 SER HA H 1 4.785 0.030 . 1 . . . . 38 SER HA . 11105 1 438 . 1 1 38 38 SER HB2 H 1 3.388 0.030 . 2 . . . . 38 SER HB2 . 11105 1 439 . 1 1 38 38 SER HB3 H 1 3.658 0.030 . 2 . . . . 38 SER HB3 . 11105 1 440 . 1 1 38 38 SER C C 13 175.975 0.300 . 1 . . . . 38 SER C . 11105 1 441 . 1 1 38 38 SER CA C 13 56.048 0.300 . 1 . . . . 38 SER CA . 11105 1 442 . 1 1 38 38 SER CB C 13 61.954 0.300 . 1 . . . . 38 SER CB . 11105 1 443 . 1 1 38 38 SER N N 15 115.239 0.300 . 1 . . . . 38 SER N . 11105 1 444 . 1 1 39 39 ASN HA H 1 4.442 0.030 . 1 . . . . 39 ASN HA . 11105 1 445 . 1 1 39 39 ASN HB2 H 1 2.948 0.030 . 1 . . . . 39 ASN HB2 . 11105 1 446 . 1 1 39 39 ASN HB3 H 1 2.948 0.030 . 1 . . . . 39 ASN HB3 . 11105 1 447 . 1 1 39 39 ASN HD21 H 1 7.773 0.030 . 2 . . . . 39 ASN HD21 . 11105 1 448 . 1 1 39 39 ASN HD22 H 1 7.074 0.030 . 2 . . . . 39 ASN HD22 . 11105 1 449 . 1 1 39 39 ASN CA C 13 56.919 0.300 . 1 . . . . 39 ASN CA . 11105 1 450 . 1 1 39 39 ASN CB C 13 38.088 0.300 . 1 . . . . 39 ASN CB . 11105 1 451 . 1 1 39 39 ASN ND2 N 15 112.916 0.300 . 1 . . . . 39 ASN ND2 . 11105 1 452 . 1 1 40 40 ASP HA H 1 4.501 0.030 . 1 . . . . 40 ASP HA . 11105 1 453 . 1 1 40 40 ASP HB2 H 1 2.741 0.030 . 2 . . . . 40 ASP HB2 . 11105 1 454 . 1 1 40 40 ASP HB3 H 1 2.666 0.030 . 2 . . . . 40 ASP HB3 . 11105 1 455 . 1 1 40 40 ASP C C 13 179.869 0.300 . 1 . . . . 40 ASP C . 11105 1 456 . 1 1 40 40 ASP CA C 13 57.430 0.300 . 1 . . . . 40 ASP CA . 11105 1 457 . 1 1 40 40 ASP CB C 13 40.393 0.300 . 1 . . . . 40 ASP CB . 11105 1 458 . 1 1 41 41 CYS H H 1 7.750 0.030 . 1 . . . . 41 CYS H . 11105 1 459 . 1 1 41 41 CYS HA H 1 4.055 0.030 . 1 . . . . 41 CYS HA . 11105 1 460 . 1 1 41 41 CYS HB2 H 1 3.585 0.030 . 2 . . . . 41 CYS HB2 . 11105 1 461 . 1 1 41 41 CYS HB3 H 1 3.069 0.030 . 2 . . . . 41 CYS HB3 . 11105 1 462 . 1 1 41 41 CYS C C 13 177.600 0.300 . 1 . . . . 41 CYS C . 11105 1 463 . 1 1 41 41 CYS CA C 13 63.998 0.300 . 1 . . . . 41 CYS CA . 11105 1 464 . 1 1 41 41 CYS CB C 13 27.628 0.300 . 1 . . . . 41 CYS CB . 11105 1 465 . 1 1 41 41 CYS N N 15 118.482 0.300 . 1 . . . . 41 CYS N . 11105 1 466 . 1 1 42 42 GLN H H 1 8.290 0.030 . 1 . . . . 42 GLN H . 11105 1 467 . 1 1 42 42 GLN HA H 1 4.110 0.030 . 1 . . . . 42 GLN HA . 11105 1 468 . 1 1 42 42 GLN HB2 H 1 2.315 0.030 . 2 . . . . 42 GLN HB2 . 11105 1 469 . 1 1 42 42 GLN HB3 H 1 2.249 0.030 . 2 . . . . 42 GLN HB3 . 11105 1 470 . 1 1 42 42 GLN HE21 H 1 7.400 0.030 . 2 . . . . 42 GLN HE21 . 11105 1 471 . 1 1 42 42 GLN HE22 H 1 6.854 0.030 . 2 . . . . 42 GLN HE22 . 11105 1 472 . 1 1 42 42 GLN HG2 H 1 2.599 0.030 . 2 . . . . 42 GLN HG2 . 11105 1 473 . 1 1 42 42 GLN HG3 H 1 2.531 0.030 . 2 . . . . 42 GLN HG3 . 11105 1 474 . 1 1 42 42 GLN C C 13 179.259 0.300 . 1 . . . . 42 GLN C . 11105 1 475 . 1 1 42 42 GLN CA C 13 59.334 0.300 . 1 . . . . 42 GLN CA . 11105 1 476 . 1 1 42 42 GLN CB C 13 27.598 0.300 . 1 . . . . 42 GLN CB . 11105 1 477 . 1 1 42 42 GLN CG C 13 33.202 0.300 . 1 . . . . 42 GLN CG . 11105 1 478 . 1 1 42 42 GLN N N 15 123.750 0.300 . 1 . . . . 42 GLN N . 11105 1 479 . 1 1 42 42 GLN NE2 N 15 110.803 0.300 . 1 . . . . 42 GLN NE2 . 11105 1 480 . 1 1 43 43 SER H H 1 8.320 0.030 . 1 . . . . 43 SER H . 11105 1 481 . 1 1 43 43 SER HA H 1 4.309 0.030 . 1 . . . . 43 SER HA . 11105 1 482 . 1 1 43 43 SER HB2 H 1 4.032 0.030 . 1 . . . . 43 SER HB2 . 11105 1 483 . 1 1 43 43 SER HB3 H 1 4.032 0.030 . 1 . . . . 43 SER HB3 . 11105 1 484 . 1 1 43 43 SER C C 13 175.139 0.300 . 1 . . . . 43 SER C . 11105 1 485 . 1 1 43 43 SER CA C 13 61.340 0.300 . 1 . . . . 43 SER CA . 11105 1 486 . 1 1 43 43 SER CB C 13 63.086 0.300 . 1 . . . . 43 SER CB . 11105 1 487 . 1 1 43 43 SER N N 15 113.834 0.300 . 1 . . . . 43 SER N . 11105 1 488 . 1 1 44 44 PHE H H 1 7.401 0.030 . 1 . . . . 44 PHE H . 11105 1 489 . 1 1 44 44 PHE HA H 1 4.786 0.030 . 1 . . . . 44 PHE HA . 11105 1 490 . 1 1 44 44 PHE HB2 H 1 3.386 0.030 . 2 . . . . 44 PHE HB2 . 11105 1 491 . 1 1 44 44 PHE HB3 H 1 2.616 0.030 . 2 . . . . 44 PHE HB3 . 11105 1 492 . 1 1 44 44 PHE HD1 H 1 7.381 0.030 . 1 . . . . 44 PHE HD1 . 11105 1 493 . 1 1 44 44 PHE HD2 H 1 7.381 0.030 . 1 . . . . 44 PHE HD2 . 11105 1 494 . 1 1 44 44 PHE HE1 H 1 6.968 0.030 . 1 . . . . 44 PHE HE1 . 11105 1 495 . 1 1 44 44 PHE HE2 H 1 6.968 0.030 . 1 . . . . 44 PHE HE2 . 11105 1 496 . 1 1 44 44 PHE HZ H 1 7.155 0.030 . 1 . . . . 44 PHE HZ . 11105 1 497 . 1 1 44 44 PHE C C 13 176.026 0.300 . 1 . . . . 44 PHE C . 11105 1 498 . 1 1 44 44 PHE CA C 13 58.450 0.300 . 1 . . . . 44 PHE CA . 11105 1 499 . 1 1 44 44 PHE CB C 13 40.130 0.300 . 1 . . . . 44 PHE CB . 11105 1 500 . 1 1 44 44 PHE CD1 C 13 133.102 0.300 . 1 . . . . 44 PHE CD1 . 11105 1 501 . 1 1 44 44 PHE CD2 C 13 133.102 0.300 . 1 . . . . 44 PHE CD2 . 11105 1 502 . 1 1 44 44 PHE CE1 C 13 130.277 0.300 . 1 . . . . 44 PHE CE1 . 11105 1 503 . 1 1 44 44 PHE CE2 C 13 130.277 0.300 . 1 . . . . 44 PHE CE2 . 11105 1 504 . 1 1 44 44 PHE CZ C 13 127.728 0.300 . 1 . . . . 44 PHE CZ . 11105 1 505 . 1 1 44 44 PHE N N 15 118.221 0.300 . 1 . . . . 44 PHE N . 11105 1 506 . 1 1 45 45 ALA H H 1 7.529 0.030 . 1 . . . . 45 ALA H . 11105 1 507 . 1 1 45 45 ALA HA H 1 3.860 0.030 . 1 . . . . 45 ALA HA . 11105 1 508 . 1 1 45 45 ALA HB1 H 1 1.456 0.030 . 1 . . . . 45 ALA HB . 11105 1 509 . 1 1 45 45 ALA HB2 H 1 1.456 0.030 . 1 . . . . 45 ALA HB . 11105 1 510 . 1 1 45 45 ALA HB3 H 1 1.456 0.030 . 1 . . . . 45 ALA HB . 11105 1 511 . 1 1 45 45 ALA C C 13 176.421 0.300 . 1 . . . . 45 ALA C . 11105 1 512 . 1 1 45 45 ALA CA C 13 57.284 0.300 . 1 . . . . 45 ALA CA . 11105 1 513 . 1 1 45 45 ALA CB C 13 15.429 0.300 . 1 . . . . 45 ALA CB . 11105 1 514 . 1 1 45 45 ALA N N 15 121.164 0.300 . 1 . . . . 45 ALA N . 11105 1 515 . 1 1 46 46 PRO HA H 1 4.316 0.030 . 1 . . . . 46 PRO HA . 11105 1 516 . 1 1 46 46 PRO HB2 H 1 2.239 0.030 . 2 . . . . 46 PRO HB2 . 11105 1 517 . 1 1 46 46 PRO HB3 H 1 1.888 0.030 . 2 . . . . 46 PRO HB3 . 11105 1 518 . 1 1 46 46 PRO HD2 H 1 3.873 0.030 . 2 . . . . 46 PRO HD2 . 11105 1 519 . 1 1 46 46 PRO HD3 H 1 3.625 0.030 . 2 . . . . 46 PRO HD3 . 11105 1 520 . 1 1 46 46 PRO HG2 H 1 2.021 0.030 . 1 . . . . 46 PRO HG2 . 11105 1 521 . 1 1 46 46 PRO HG3 H 1 2.021 0.030 . 1 . . . . 46 PRO HG3 . 11105 1 522 . 1 1 46 46 PRO C C 13 179.141 0.300 . 1 . . . . 46 PRO C . 11105 1 523 . 1 1 46 46 PRO CA C 13 65.563 0.300 . 1 . . . . 46 PRO CA . 11105 1 524 . 1 1 46 46 PRO CB C 13 30.978 0.300 . 1 . . . . 46 PRO CB . 11105 1 525 . 1 1 46 46 PRO CD C 13 50.267 0.300 . 1 . . . . 46 PRO CD . 11105 1 526 . 1 1 46 46 PRO CG C 13 28.216 0.300 . 1 . . . . 46 PRO CG . 11105 1 527 . 1 1 47 47 ILE H H 1 6.749 0.030 . 1 . . . . 47 ILE H . 11105 1 528 . 1 1 47 47 ILE HA H 1 3.798 0.030 . 1 . . . . 47 ILE HA . 11105 1 529 . 1 1 47 47 ILE HB H 1 1.898 0.030 . 1 . . . . 47 ILE HB . 11105 1 530 . 1 1 47 47 ILE HD11 H 1 1.188 0.030 . 1 . . . . 47 ILE HD1 . 11105 1 531 . 1 1 47 47 ILE HD12 H 1 1.188 0.030 . 1 . . . . 47 ILE HD1 . 11105 1 532 . 1 1 47 47 ILE HD13 H 1 1.188 0.030 . 1 . . . . 47 ILE HD1 . 11105 1 533 . 1 1 47 47 ILE HG12 H 1 1.716 0.030 . 2 . . . . 47 ILE HG12 . 11105 1 534 . 1 1 47 47 ILE HG13 H 1 1.283 0.030 . 2 . . . . 47 ILE HG13 . 11105 1 535 . 1 1 47 47 ILE HG21 H 1 0.932 0.030 . 1 . . . . 47 ILE HG2 . 11105 1 536 . 1 1 47 47 ILE HG22 H 1 0.932 0.030 . 1 . . . . 47 ILE HG2 . 11105 1 537 . 1 1 47 47 ILE HG23 H 1 0.932 0.030 . 1 . . . . 47 ILE HG2 . 11105 1 538 . 1 1 47 47 ILE C C 13 177.922 0.300 . 1 . . . . 47 ILE C . 11105 1 539 . 1 1 47 47 ILE CA C 13 63.694 0.300 . 1 . . . . 47 ILE CA . 11105 1 540 . 1 1 47 47 ILE CB C 13 37.340 0.300 . 1 . . . . 47 ILE CB . 11105 1 541 . 1 1 47 47 ILE CD1 C 13 13.775 0.300 . 1 . . . . 47 ILE CD1 . 11105 1 542 . 1 1 47 47 ILE CG1 C 13 28.536 0.300 . 1 . . . . 47 ILE CG1 . 11105 1 543 . 1 1 47 47 ILE CG2 C 13 17.082 0.300 . 1 . . . . 47 ILE CG2 . 11105 1 544 . 1 1 47 47 ILE N N 15 119.766 0.300 . 1 . . . . 47 ILE N . 11105 1 545 . 1 1 48 48 TYR H H 1 7.607 0.030 . 1 . . . . 48 TYR H . 11105 1 546 . 1 1 48 48 TYR HA H 1 3.844 0.030 . 1 . . . . 48 TYR HA . 11105 1 547 . 1 1 48 48 TYR HB2 H 1 2.475 0.030 . 2 . . . . 48 TYR HB2 . 11105 1 548 . 1 1 48 48 TYR HB3 H 1 2.101 0.030 . 2 . . . . 48 TYR HB3 . 11105 1 549 . 1 1 48 48 TYR HD1 H 1 6.956 0.030 . 1 . . . . 48 TYR HD1 . 11105 1 550 . 1 1 48 48 TYR HD2 H 1 6.956 0.030 . 1 . . . . 48 TYR HD2 . 11105 1 551 . 1 1 48 48 TYR HE1 H 1 6.578 0.030 . 1 . . . . 48 TYR HE1 . 11105 1 552 . 1 1 48 48 TYR HE2 H 1 6.578 0.030 . 1 . . . . 48 TYR HE2 . 11105 1 553 . 1 1 48 48 TYR C C 13 177.647 0.300 . 1 . . . . 48 TYR C . 11105 1 554 . 1 1 48 48 TYR CA C 13 61.196 0.300 . 1 . . . . 48 TYR CA . 11105 1 555 . 1 1 48 48 TYR CB C 13 37.625 0.300 . 1 . . . . 48 TYR CB . 11105 1 556 . 1 1 48 48 TYR CD1 C 13 132.326 0.300 . 1 . . . . 48 TYR CD1 . 11105 1 557 . 1 1 48 48 TYR CD2 C 13 132.326 0.300 . 1 . . . . 48 TYR CD2 . 11105 1 558 . 1 1 48 48 TYR CE1 C 13 117.840 0.300 . 1 . . . . 48 TYR CE1 . 11105 1 559 . 1 1 48 48 TYR CE2 C 13 117.840 0.300 . 1 . . . . 48 TYR CE2 . 11105 1 560 . 1 1 48 48 TYR N N 15 121.124 0.300 . 1 . . . . 48 TYR N . 11105 1 561 . 1 1 49 49 ALA H H 1 7.756 0.030 . 1 . . . . 49 ALA H . 11105 1 562 . 1 1 49 49 ALA HA H 1 3.729 0.030 . 1 . . . . 49 ALA HA . 11105 1 563 . 1 1 49 49 ALA HB1 H 1 1.284 0.030 . 1 . . . . 49 ALA HB . 11105 1 564 . 1 1 49 49 ALA HB2 H 1 1.284 0.030 . 1 . . . . 49 ALA HB . 11105 1 565 . 1 1 49 49 ALA HB3 H 1 1.284 0.030 . 1 . . . . 49 ALA HB . 11105 1 566 . 1 1 49 49 ALA C C 13 180.682 0.300 . 1 . . . . 49 ALA C . 11105 1 567 . 1 1 49 49 ALA CA C 13 55.137 0.300 . 1 . . . . 49 ALA CA . 11105 1 568 . 1 1 49 49 ALA CB C 13 17.504 0.300 . 1 . . . . 49 ALA CB . 11105 1 569 . 1 1 49 49 ALA N N 15 118.359 0.300 . 1 . . . . 49 ALA N . 11105 1 570 . 1 1 50 50 ASP H H 1 7.673 0.030 . 1 . . . . 50 ASP H . 11105 1 571 . 1 1 50 50 ASP HA H 1 4.301 0.030 . 1 . . . . 50 ASP HA . 11105 1 572 . 1 1 50 50 ASP HB2 H 1 2.842 0.030 . 2 . . . . 50 ASP HB2 . 11105 1 573 . 1 1 50 50 ASP HB3 H 1 2.580 0.030 . 2 . . . . 50 ASP HB3 . 11105 1 574 . 1 1 50 50 ASP C C 13 179.219 0.300 . 1 . . . . 50 ASP C . 11105 1 575 . 1 1 50 50 ASP CA C 13 57.724 0.300 . 1 . . . . 50 ASP CA . 11105 1 576 . 1 1 50 50 ASP CB C 13 40.375 0.300 . 1 . . . . 50 ASP CB . 11105 1 577 . 1 1 50 50 ASP N N 15 120.799 0.300 . 1 . . . . 50 ASP N . 11105 1 578 . 1 1 51 51 LEU H H 1 8.438 0.030 . 1 . . . . 51 LEU H . 11105 1 579 . 1 1 51 51 LEU HA H 1 4.023 0.030 . 1 . . . . 51 LEU HA . 11105 1 580 . 1 1 51 51 LEU HB2 H 1 2.061 0.030 . 2 . . . . 51 LEU HB2 . 11105 1 581 . 1 1 51 51 LEU HB3 H 1 1.179 0.030 . 2 . . . . 51 LEU HB3 . 11105 1 582 . 1 1 51 51 LEU HD11 H 1 1.040 0.030 . 1 . . . . 51 LEU HD1 . 11105 1 583 . 1 1 51 51 LEU HD12 H 1 1.040 0.030 . 1 . . . . 51 LEU HD1 . 11105 1 584 . 1 1 51 51 LEU HD13 H 1 1.040 0.030 . 1 . . . . 51 LEU HD1 . 11105 1 585 . 1 1 51 51 LEU HD21 H 1 1.087 0.030 . 1 . . . . 51 LEU HD2 . 11105 1 586 . 1 1 51 51 LEU HD22 H 1 1.087 0.030 . 1 . . . . 51 LEU HD2 . 11105 1 587 . 1 1 51 51 LEU HD23 H 1 1.087 0.030 . 1 . . . . 51 LEU HD2 . 11105 1 588 . 1 1 51 51 LEU HG H 1 2.016 0.030 . 1 . . . . 51 LEU HG . 11105 1 589 . 1 1 51 51 LEU C C 13 178.359 0.300 . 1 . . . . 51 LEU C . 11105 1 590 . 1 1 51 51 LEU CA C 13 57.959 0.300 . 1 . . . . 51 LEU CA . 11105 1 591 . 1 1 51 51 LEU CB C 13 42.524 0.300 . 1 . . . . 51 LEU CB . 11105 1 592 . 1 1 51 51 LEU CD1 C 13 26.527 0.300 . 2 . . . . 51 LEU CD1 . 11105 1 593 . 1 1 51 51 LEU CD2 C 13 24.681 0.300 . 2 . . . . 51 LEU CD2 . 11105 1 594 . 1 1 51 51 LEU CG C 13 26.484 0.300 . 1 . . . . 51 LEU CG . 11105 1 595 . 1 1 51 51 LEU N N 15 120.577 0.300 . 1 . . . . 51 LEU N . 11105 1 596 . 1 1 52 52 SER H H 1 7.728 0.030 . 1 . . . . 52 SER H . 11105 1 597 . 1 1 52 52 SER HA H 1 1.989 0.030 . 1 . . . . 52 SER HA . 11105 1 598 . 1 1 52 52 SER HB2 H 1 3.009 0.030 . 2 . . . . 52 SER HB2 . 11105 1 599 . 1 1 52 52 SER HB3 H 1 2.806 0.030 . 2 . . . . 52 SER HB3 . 11105 1 600 . 1 1 52 52 SER C C 13 175.439 0.300 . 1 . . . . 52 SER C . 11105 1 601 . 1 1 52 52 SER CA C 13 60.587 0.300 . 1 . . . . 52 SER CA . 11105 1 602 . 1 1 52 52 SER CB C 13 61.989 0.300 . 1 . . . . 52 SER CB . 11105 1 603 . 1 1 52 52 SER N N 15 115.688 0.300 . 1 . . . . 52 SER N . 11105 1 604 . 1 1 53 53 LEU H H 1 7.063 0.030 . 1 . . . . 53 LEU H . 11105 1 605 . 1 1 53 53 LEU HA H 1 3.771 0.030 . 1 . . . . 53 LEU HA . 11105 1 606 . 1 1 53 53 LEU HB2 H 1 1.626 0.030 . 2 . . . . 53 LEU HB2 . 11105 1 607 . 1 1 53 53 LEU HB3 H 1 1.510 0.030 . 2 . . . . 53 LEU HB3 . 11105 1 608 . 1 1 53 53 LEU HD11 H 1 0.728 0.030 . 1 . . . . 53 LEU HD1 . 11105 1 609 . 1 1 53 53 LEU HD12 H 1 0.728 0.030 . 1 . . . . 53 LEU HD1 . 11105 1 610 . 1 1 53 53 LEU HD13 H 1 0.728 0.030 . 1 . . . . 53 LEU HD1 . 11105 1 611 . 1 1 53 53 LEU HD21 H 1 0.562 0.030 . 1 . . . . 53 LEU HD2 . 11105 1 612 . 1 1 53 53 LEU HD22 H 1 0.562 0.030 . 1 . . . . 53 LEU HD2 . 11105 1 613 . 1 1 53 53 LEU HD23 H 1 0.562 0.030 . 1 . . . . 53 LEU HD2 . 11105 1 614 . 1 1 53 53 LEU HG H 1 1.437 0.030 . 1 . . . . 53 LEU HG . 11105 1 615 . 1 1 53 53 LEU C C 13 179.006 0.300 . 1 . . . . 53 LEU C . 11105 1 616 . 1 1 53 53 LEU CA C 13 57.412 0.300 . 1 . . . . 53 LEU CA . 11105 1 617 . 1 1 53 53 LEU CB C 13 42.156 0.300 . 1 . . . . 53 LEU CB . 11105 1 618 . 1 1 53 53 LEU CD1 C 13 24.740 0.300 . 2 . . . . 53 LEU CD1 . 11105 1 619 . 1 1 53 53 LEU CD2 C 13 23.805 0.300 . 2 . . . . 53 LEU CD2 . 11105 1 620 . 1 1 53 53 LEU CG C 13 26.919 0.300 . 1 . . . . 53 LEU CG . 11105 1 621 . 1 1 53 53 LEU N N 15 122.227 0.300 . 1 . . . . 53 LEU N . 11105 1 622 . 1 1 54 54 LYS H H 1 7.414 0.030 . 1 . . . . 54 LYS H . 11105 1 623 . 1 1 54 54 LYS HA H 1 3.859 0.030 . 1 . . . . 54 LYS HA . 11105 1 624 . 1 1 54 54 LYS HB2 H 1 1.272 0.030 . 2 . . . . 54 LYS HB2 . 11105 1 625 . 1 1 54 54 LYS HB3 H 1 1.560 0.030 . 2 . . . . 54 LYS HB3 . 11105 1 626 . 1 1 54 54 LYS HD2 H 1 1.437 0.030 . 1 . . . . 54 LYS HD2 . 11105 1 627 . 1 1 54 54 LYS HD3 H 1 1.437 0.030 . 1 . . . . 54 LYS HD3 . 11105 1 628 . 1 1 54 54 LYS HE2 H 1 2.790 0.030 . 1 . . . . 54 LYS HE2 . 11105 1 629 . 1 1 54 54 LYS HE3 H 1 2.790 0.030 . 1 . . . . 54 LYS HE3 . 11105 1 630 . 1 1 54 54 LYS HG2 H 1 0.785 0.030 . 2 . . . . 54 LYS HG2 . 11105 1 631 . 1 1 54 54 LYS HG3 H 1 1.146 0.030 . 2 . . . . 54 LYS HG3 . 11105 1 632 . 1 1 54 54 LYS C C 13 178.258 0.300 . 1 . . . . 54 LYS C . 11105 1 633 . 1 1 54 54 LYS CA C 13 58.514 0.300 . 1 . . . . 54 LYS CA . 11105 1 634 . 1 1 54 54 LYS CB C 13 34.026 0.300 . 1 . . . . 54 LYS CB . 11105 1 635 . 1 1 54 54 LYS CD C 13 29.340 0.300 . 1 . . . . 54 LYS CD . 11105 1 636 . 1 1 54 54 LYS CE C 13 41.985 0.300 . 1 . . . . 54 LYS CE . 11105 1 637 . 1 1 54 54 LYS CG C 13 25.427 0.300 . 1 . . . . 54 LYS CG . 11105 1 638 . 1 1 54 54 LYS N N 15 117.907 0.300 . 1 . . . . 54 LYS N . 11105 1 639 . 1 1 55 55 TYR H H 1 7.995 0.030 . 1 . . . . 55 TYR H . 11105 1 640 . 1 1 55 55 TYR HA H 1 4.580 0.030 . 1 . . . . 55 TYR HA . 11105 1 641 . 1 1 55 55 TYR HB2 H 1 3.337 0.030 . 2 . . . . 55 TYR HB2 . 11105 1 642 . 1 1 55 55 TYR HB3 H 1 2.841 0.030 . 2 . . . . 55 TYR HB3 . 11105 1 643 . 1 1 55 55 TYR HD1 H 1 7.292 0.030 . 1 . . . . 55 TYR HD1 . 11105 1 644 . 1 1 55 55 TYR HD2 H 1 7.292 0.030 . 1 . . . . 55 TYR HD2 . 11105 1 645 . 1 1 55 55 TYR HE1 H 1 6.689 0.030 . 1 . . . . 55 TYR HE1 . 11105 1 646 . 1 1 55 55 TYR HE2 H 1 6.689 0.030 . 1 . . . . 55 TYR HE2 . 11105 1 647 . 1 1 55 55 TYR C C 13 175.372 0.300 . 1 . . . . 55 TYR C . 11105 1 648 . 1 1 55 55 TYR CA C 13 59.675 0.300 . 1 . . . . 55 TYR CA . 11105 1 649 . 1 1 55 55 TYR CB C 13 39.479 0.300 . 1 . . . . 55 TYR CB . 11105 1 650 . 1 1 55 55 TYR CD1 C 13 133.497 0.300 . 1 . . . . 55 TYR CD1 . 11105 1 651 . 1 1 55 55 TYR CD2 C 13 133.497 0.300 . 1 . . . . 55 TYR CD2 . 11105 1 652 . 1 1 55 55 TYR CE1 C 13 117.662 0.300 . 1 . . . . 55 TYR CE1 . 11105 1 653 . 1 1 55 55 TYR CE2 C 13 117.662 0.300 . 1 . . . . 55 TYR CE2 . 11105 1 654 . 1 1 55 55 TYR N N 15 113.250 0.300 . 1 . . . . 55 TYR N . 11105 1 655 . 1 1 56 56 ASN H H 1 7.711 0.030 . 1 . . . . 56 ASN H . 11105 1 656 . 1 1 56 56 ASN HA H 1 4.868 0.030 . 1 . . . . 56 ASN HA . 11105 1 657 . 1 1 56 56 ASN HB2 H 1 3.013 0.030 . 2 . . . . 56 ASN HB2 . 11105 1 658 . 1 1 56 56 ASN HB3 H 1 2.750 0.030 . 2 . . . . 56 ASN HB3 . 11105 1 659 . 1 1 56 56 ASN HD21 H 1 7.400 0.030 . 2 . . . . 56 ASN HD21 . 11105 1 660 . 1 1 56 56 ASN HD22 H 1 6.703 0.030 . 2 . . . . 56 ASN HD22 . 11105 1 661 . 1 1 56 56 ASN C C 13 175.081 0.300 . 1 . . . . 56 ASN C . 11105 1 662 . 1 1 56 56 ASN CA C 13 56.000 0.300 . 1 . . . . 56 ASN CA . 11105 1 663 . 1 1 56 56 ASN CB C 13 40.033 0.300 . 1 . . . . 56 ASN CB . 11105 1 664 . 1 1 56 56 ASN N N 15 119.380 0.300 . 1 . . . . 56 ASN N . 11105 1 665 . 1 1 56 56 ASN ND2 N 15 114.308 0.300 . 1 . . . . 56 ASN ND2 . 11105 1 666 . 1 1 57 57 CYS H H 1 8.943 0.030 . 1 . . . . 57 CYS H . 11105 1 667 . 1 1 57 57 CYS HA H 1 4.810 0.030 . 1 . . . . 57 CYS HA . 11105 1 668 . 1 1 57 57 CYS HB2 H 1 3.421 0.030 . 2 . . . . 57 CYS HB2 . 11105 1 669 . 1 1 57 57 CYS HB3 H 1 3.092 0.030 . 2 . . . . 57 CYS HB3 . 11105 1 670 . 1 1 57 57 CYS C C 13 174.375 0.300 . 1 . . . . 57 CYS C . 11105 1 671 . 1 1 57 57 CYS CA C 13 57.342 0.300 . 1 . . . . 57 CYS CA . 11105 1 672 . 1 1 57 57 CYS CB C 13 29.373 0.300 . 1 . . . . 57 CYS CB . 11105 1 673 . 1 1 57 57 CYS N N 15 120.408 0.300 . 1 . . . . 57 CYS N . 11105 1 674 . 1 1 58 58 THR H H 1 8.332 0.030 . 1 . . . . 58 THR H . 11105 1 675 . 1 1 58 58 THR HA H 1 4.027 0.030 . 1 . . . . 58 THR HA . 11105 1 676 . 1 1 58 58 THR HB H 1 4.156 0.030 . 1 . . . . 58 THR HB . 11105 1 677 . 1 1 58 58 THR HG21 H 1 1.269 0.030 . 1 . . . . 58 THR HG2 . 11105 1 678 . 1 1 58 58 THR HG22 H 1 1.269 0.030 . 1 . . . . 58 THR HG2 . 11105 1 679 . 1 1 58 58 THR HG23 H 1 1.269 0.030 . 1 . . . . 58 THR HG2 . 11105 1 680 . 1 1 58 58 THR C C 13 175.797 0.300 . 1 . . . . 58 THR C . 11105 1 681 . 1 1 58 58 THR CA C 13 65.304 0.300 . 1 . . . . 58 THR CA . 11105 1 682 . 1 1 58 58 THR CB C 13 69.039 0.300 . 1 . . . . 58 THR CB . 11105 1 683 . 1 1 58 58 THR CG2 C 13 22.281 0.300 . 1 . . . . 58 THR CG2 . 11105 1 684 . 1 1 59 59 GLY H H 1 8.294 0.030 . 1 . . . . 59 GLY H . 11105 1 685 . 1 1 59 59 GLY HA2 H 1 4.065 0.030 . 2 . . . . 59 GLY HA2 . 11105 1 686 . 1 1 59 59 GLY HA3 H 1 3.960 0.030 . 2 . . . . 59 GLY HA3 . 11105 1 687 . 1 1 59 59 GLY C C 13 172.924 0.300 . 1 . . . . 59 GLY C . 11105 1 688 . 1 1 59 59 GLY CA C 13 45.411 0.300 . 1 . . . . 59 GLY CA . 11105 1 689 . 1 1 59 59 GLY N N 15 107.553 0.300 . 1 . . . . 59 GLY N . 11105 1 690 . 1 1 60 60 LEU H H 1 7.449 0.030 . 1 . . . . 60 LEU H . 11105 1 691 . 1 1 60 60 LEU HA H 1 4.966 0.030 . 1 . . . . 60 LEU HA . 11105 1 692 . 1 1 60 60 LEU HB2 H 1 1.081 0.030 . 2 . . . . 60 LEU HB2 . 11105 1 693 . 1 1 60 60 LEU HB3 H 1 1.852 0.030 . 2 . . . . 60 LEU HB3 . 11105 1 694 . 1 1 60 60 LEU HD11 H 1 0.551 0.030 . 1 . . . . 60 LEU HD1 . 11105 1 695 . 1 1 60 60 LEU HD12 H 1 0.551 0.030 . 1 . . . . 60 LEU HD1 . 11105 1 696 . 1 1 60 60 LEU HD13 H 1 0.551 0.030 . 1 . . . . 60 LEU HD1 . 11105 1 697 . 1 1 60 60 LEU HD21 H 1 0.787 0.030 . 1 . . . . 60 LEU HD2 . 11105 1 698 . 1 1 60 60 LEU HD22 H 1 0.787 0.030 . 1 . . . . 60 LEU HD2 . 11105 1 699 . 1 1 60 60 LEU HD23 H 1 0.787 0.030 . 1 . . . . 60 LEU HD2 . 11105 1 700 . 1 1 60 60 LEU HG H 1 1.143 0.030 . 1 . . . . 60 LEU HG . 11105 1 701 . 1 1 60 60 LEU C C 13 173.371 0.300 . 1 . . . . 60 LEU C . 11105 1 702 . 1 1 60 60 LEU CA C 13 54.446 0.300 . 1 . . . . 60 LEU CA . 11105 1 703 . 1 1 60 60 LEU CB C 13 44.013 0.300 . 1 . . . . 60 LEU CB . 11105 1 704 . 1 1 60 60 LEU CD1 C 13 23.630 0.300 . 2 . . . . 60 LEU CD1 . 11105 1 705 . 1 1 60 60 LEU CD2 C 13 26.869 0.300 . 2 . . . . 60 LEU CD2 . 11105 1 706 . 1 1 60 60 LEU CG C 13 27.423 0.300 . 1 . . . . 60 LEU CG . 11105 1 707 . 1 1 60 60 LEU N N 15 125.194 0.300 . 1 . . . . 60 LEU N . 11105 1 708 . 1 1 61 61 ASN H H 1 8.193 0.030 . 1 . . . . 61 ASN H . 11105 1 709 . 1 1 61 61 ASN HA H 1 5.056 0.030 . 1 . . . . 61 ASN HA . 11105 1 710 . 1 1 61 61 ASN HB2 H 1 1.216 0.030 . 2 . . . . 61 ASN HB2 . 11105 1 711 . 1 1 61 61 ASN HB3 H 1 0.314 0.030 . 2 . . . . 61 ASN HB3 . 11105 1 712 . 1 1 61 61 ASN HD21 H 1 6.432 0.030 . 2 . . . . 61 ASN HD21 . 11105 1 713 . 1 1 61 61 ASN HD22 H 1 6.250 0.030 . 2 . . . . 61 ASN HD22 . 11105 1 714 . 1 1 61 61 ASN C C 13 172.081 0.300 . 1 . . . . 61 ASN C . 11105 1 715 . 1 1 61 61 ASN CA C 13 50.668 0.300 . 1 . . . . 61 ASN CA . 11105 1 716 . 1 1 61 61 ASN CB C 13 39.319 0.300 . 1 . . . . 61 ASN CB . 11105 1 717 . 1 1 61 61 ASN N N 15 124.634 0.300 . 1 . . . . 61 ASN N . 11105 1 718 . 1 1 61 61 ASN ND2 N 15 111.029 0.300 . 1 . . . . 61 ASN ND2 . 11105 1 719 . 1 1 62 62 PHE H H 1 8.778 0.030 . 1 . . . . 62 PHE H . 11105 1 720 . 1 1 62 62 PHE HA H 1 5.328 0.030 . 1 . . . . 62 PHE HA . 11105 1 721 . 1 1 62 62 PHE HB2 H 1 3.235 0.030 . 2 . . . . 62 PHE HB2 . 11105 1 722 . 1 1 62 62 PHE HB3 H 1 2.520 0.030 . 2 . . . . 62 PHE HB3 . 11105 1 723 . 1 1 62 62 PHE HD1 H 1 7.020 0.030 . 1 . . . . 62 PHE HD1 . 11105 1 724 . 1 1 62 62 PHE HD2 H 1 7.020 0.030 . 1 . . . . 62 PHE HD2 . 11105 1 725 . 1 1 62 62 PHE HE1 H 1 6.779 0.030 . 1 . . . . 62 PHE HE1 . 11105 1 726 . 1 1 62 62 PHE HE2 H 1 6.779 0.030 . 1 . . . . 62 PHE HE2 . 11105 1 727 . 1 1 62 62 PHE HZ H 1 6.789 0.030 . 1 . . . . 62 PHE HZ . 11105 1 728 . 1 1 62 62 PHE C C 13 176.508 0.300 . 1 . . . . 62 PHE C . 11105 1 729 . 1 1 62 62 PHE CA C 13 56.901 0.300 . 1 . . . . 62 PHE CA . 11105 1 730 . 1 1 62 62 PHE CB C 13 41.332 0.300 . 1 . . . . 62 PHE CB . 11105 1 731 . 1 1 62 62 PHE CD1 C 13 131.986 0.300 . 1 . . . . 62 PHE CD1 . 11105 1 732 . 1 1 62 62 PHE CD2 C 13 131.986 0.300 . 1 . . . . 62 PHE CD2 . 11105 1 733 . 1 1 62 62 PHE CE1 C 13 130.104 0.300 . 1 . . . . 62 PHE CE1 . 11105 1 734 . 1 1 62 62 PHE CE2 C 13 130.104 0.300 . 1 . . . . 62 PHE CE2 . 11105 1 735 . 1 1 62 62 PHE CZ C 13 128.347 0.300 . 1 . . . . 62 PHE CZ . 11105 1 736 . 1 1 62 62 PHE N N 15 119.829 0.300 . 1 . . . . 62 PHE N . 11105 1 737 . 1 1 63 63 GLY H H 1 10.195 0.030 . 1 . . . . 63 GLY H . 11105 1 738 . 1 1 63 63 GLY HA2 H 1 5.809 0.030 . 2 . . . . 63 GLY HA2 . 11105 1 739 . 1 1 63 63 GLY HA3 H 1 3.709 0.030 . 2 . . . . 63 GLY HA3 . 11105 1 740 . 1 1 63 63 GLY C C 13 174.181 0.300 . 1 . . . . 63 GLY C . 11105 1 741 . 1 1 63 63 GLY CA C 13 44.016 0.300 . 1 . . . . 63 GLY CA . 11105 1 742 . 1 1 63 63 GLY N N 15 109.619 0.300 . 1 . . . . 63 GLY N . 11105 1 743 . 1 1 64 64 LYS H H 1 8.511 0.030 . 1 . . . . 64 LYS H . 11105 1 744 . 1 1 64 64 LYS HA H 1 5.391 0.030 . 1 . . . . 64 LYS HA . 11105 1 745 . 1 1 64 64 LYS HB2 H 1 1.402 0.030 . 2 . . . . 64 LYS HB2 . 11105 1 746 . 1 1 64 64 LYS HB3 H 1 1.326 0.030 . 2 . . . . 64 LYS HB3 . 11105 1 747 . 1 1 64 64 LYS HD2 H 1 1.371 0.030 . 2 . . . . 64 LYS HD2 . 11105 1 748 . 1 1 64 64 LYS HD3 H 1 1.138 0.030 . 2 . . . . 64 LYS HD3 . 11105 1 749 . 1 1 64 64 LYS HE2 H 1 2.186 0.030 . 2 . . . . 64 LYS HE2 . 11105 1 750 . 1 1 64 64 LYS HE3 H 1 1.839 0.030 . 2 . . . . 64 LYS HE3 . 11105 1 751 . 1 1 64 64 LYS HG2 H 1 1.332 0.030 . 2 . . . . 64 LYS HG2 . 11105 1 752 . 1 1 64 64 LYS HG3 H 1 1.242 0.030 . 2 . . . . 64 LYS HG3 . 11105 1 753 . 1 1 64 64 LYS C C 13 173.279 0.300 . 1 . . . . 64 LYS C . 11105 1 754 . 1 1 64 64 LYS CA C 13 56.284 0.300 . 1 . . . . 64 LYS CA . 11105 1 755 . 1 1 64 64 LYS CB C 13 37.466 0.300 . 1 . . . . 64 LYS CB . 11105 1 756 . 1 1 64 64 LYS CD C 13 30.720 0.300 . 1 . . . . 64 LYS CD . 11105 1 757 . 1 1 64 64 LYS CE C 13 40.785 0.300 . 1 . . . . 64 LYS CE . 11105 1 758 . 1 1 64 64 LYS CG C 13 25.471 0.300 . 1 . . . . 64 LYS CG . 11105 1 759 . 1 1 64 64 LYS N N 15 123.464 0.300 . 1 . . . . 64 LYS N . 11105 1 760 . 1 1 65 65 VAL H H 1 9.120 0.030 . 1 . . . . 65 VAL H . 11105 1 761 . 1 1 65 65 VAL HA H 1 4.854 0.030 . 1 . . . . 65 VAL HA . 11105 1 762 . 1 1 65 65 VAL HB H 1 1.694 0.030 . 1 . . . . 65 VAL HB . 11105 1 763 . 1 1 65 65 VAL HG11 H 1 0.274 0.030 . 1 . . . . 65 VAL HG1 . 11105 1 764 . 1 1 65 65 VAL HG12 H 1 0.274 0.030 . 1 . . . . 65 VAL HG1 . 11105 1 765 . 1 1 65 65 VAL HG13 H 1 0.274 0.030 . 1 . . . . 65 VAL HG1 . 11105 1 766 . 1 1 65 65 VAL HG21 H 1 0.683 0.030 . 1 . . . . 65 VAL HG2 . 11105 1 767 . 1 1 65 65 VAL HG22 H 1 0.683 0.030 . 1 . . . . 65 VAL HG2 . 11105 1 768 . 1 1 65 65 VAL HG23 H 1 0.683 0.030 . 1 . . . . 65 VAL HG2 . 11105 1 769 . 1 1 65 65 VAL C C 13 170.953 0.300 . 1 . . . . 65 VAL C . 11105 1 770 . 1 1 65 65 VAL CA C 13 60.017 0.300 . 1 . . . . 65 VAL CA . 11105 1 771 . 1 1 65 65 VAL CB C 13 35.483 0.300 . 1 . . . . 65 VAL CB . 11105 1 772 . 1 1 65 65 VAL CG1 C 13 20.428 0.300 . 2 . . . . 65 VAL CG1 . 11105 1 773 . 1 1 65 65 VAL CG2 C 13 21.491 0.300 . 2 . . . . 65 VAL CG2 . 11105 1 774 . 1 1 65 65 VAL N N 15 120.212 0.300 . 1 . . . . 65 VAL N . 11105 1 775 . 1 1 66 66 ASP H H 1 9.194 0.030 . 1 . . . . 66 ASP H . 11105 1 776 . 1 1 66 66 ASP HA H 1 3.573 0.030 . 1 . . . . 66 ASP HA . 11105 1 777 . 1 1 66 66 ASP HB2 H 1 2.967 0.030 . 2 . . . . 66 ASP HB2 . 11105 1 778 . 1 1 66 66 ASP HB3 H 1 2.322 0.030 . 2 . . . . 66 ASP HB3 . 11105 1 779 . 1 1 66 66 ASP C C 13 177.009 0.300 . 1 . . . . 66 ASP C . 11105 1 780 . 1 1 66 66 ASP CA C 13 51.541 0.300 . 1 . . . . 66 ASP CA . 11105 1 781 . 1 1 66 66 ASP CB C 13 40.313 0.300 . 1 . . . . 66 ASP CB . 11105 1 782 . 1 1 66 66 ASP N N 15 128.855 0.300 . 1 . . . . 66 ASP N . 11105 1 783 . 1 1 67 67 VAL H H 1 8.668 0.030 . 1 . . . . 67 VAL H . 11105 1 784 . 1 1 67 67 VAL HA H 1 4.198 0.030 . 1 . . . . 67 VAL HA . 11105 1 785 . 1 1 67 67 VAL HB H 1 2.385 0.030 . 1 . . . . 67 VAL HB . 11105 1 786 . 1 1 67 67 VAL HG11 H 1 1.154 0.030 . 1 . . . . 67 VAL HG1 . 11105 1 787 . 1 1 67 67 VAL HG12 H 1 1.154 0.030 . 1 . . . . 67 VAL HG1 . 11105 1 788 . 1 1 67 67 VAL HG13 H 1 1.154 0.030 . 1 . . . . 67 VAL HG1 . 11105 1 789 . 1 1 67 67 VAL HG21 H 1 0.675 0.030 . 1 . . . . 67 VAL HG2 . 11105 1 790 . 1 1 67 67 VAL HG22 H 1 0.675 0.030 . 1 . . . . 67 VAL HG2 . 11105 1 791 . 1 1 67 67 VAL HG23 H 1 0.675 0.030 . 1 . . . . 67 VAL HG2 . 11105 1 792 . 1 1 67 67 VAL C C 13 176.275 0.300 . 1 . . . . 67 VAL C . 11105 1 793 . 1 1 67 67 VAL CA C 13 62.441 0.300 . 1 . . . . 67 VAL CA . 11105 1 794 . 1 1 67 67 VAL CB C 13 31.029 0.300 . 1 . . . . 67 VAL CB . 11105 1 795 . 1 1 67 67 VAL CG1 C 13 24.795 0.300 . 2 . . . . 67 VAL CG1 . 11105 1 796 . 1 1 67 67 VAL CG2 C 13 19.736 0.300 . 2 . . . . 67 VAL CG2 . 11105 1 797 . 1 1 67 67 VAL N N 15 120.227 0.300 . 1 . . . . 67 VAL N . 11105 1 798 . 1 1 68 68 GLY H H 1 8.327 0.030 . 1 . . . . 68 GLY H . 11105 1 799 . 1 1 68 68 GLY HA2 H 1 4.097 0.030 . 2 . . . . 68 GLY HA2 . 11105 1 800 . 1 1 68 68 GLY HA3 H 1 3.918 0.030 . 2 . . . . 68 GLY HA3 . 11105 1 801 . 1 1 68 68 GLY C C 13 174.688 0.300 . 1 . . . . 68 GLY C . 11105 1 802 . 1 1 68 68 GLY CA C 13 46.573 0.300 . 1 . . . . 68 GLY CA . 11105 1 803 . 1 1 68 68 GLY N N 15 108.048 0.300 . 1 . . . . 68 GLY N . 11105 1 804 . 1 1 69 69 ARG H H 1 7.064 0.030 . 1 . . . . 69 ARG H . 11105 1 805 . 1 1 69 69 ARG HA H 1 4.167 0.030 . 1 . . . . 69 ARG HA . 11105 1 806 . 1 1 69 69 ARG HB2 H 1 1.420 0.030 . 2 . . . . 69 ARG HB2 . 11105 1 807 . 1 1 69 69 ARG HB3 H 1 1.076 0.030 . 2 . . . . 69 ARG HB3 . 11105 1 808 . 1 1 69 69 ARG HD2 H 1 2.962 0.030 . 2 . . . . 69 ARG HD2 . 11105 1 809 . 1 1 69 69 ARG HD3 H 1 2.843 0.030 . 2 . . . . 69 ARG HD3 . 11105 1 810 . 1 1 69 69 ARG HG2 H 1 1.021 0.030 . 2 . . . . 69 ARG HG2 . 11105 1 811 . 1 1 69 69 ARG HG3 H 1 0.645 0.030 . 2 . . . . 69 ARG HG3 . 11105 1 812 . 1 1 69 69 ARG C C 13 177.060 0.300 . 1 . . . . 69 ARG C . 11105 1 813 . 1 1 69 69 ARG CA C 13 56.592 0.300 . 1 . . . . 69 ARG CA . 11105 1 814 . 1 1 69 69 ARG CB C 13 31.928 0.300 . 1 . . . . 69 ARG CB . 11105 1 815 . 1 1 69 69 ARG CD C 13 43.550 0.300 . 1 . . . . 69 ARG CD . 11105 1 816 . 1 1 69 69 ARG CG C 13 26.459 0.300 . 1 . . . . 69 ARG CG . 11105 1 817 . 1 1 69 69 ARG N N 15 120.626 0.300 . 1 . . . . 69 ARG N . 11105 1 818 . 1 1 70 70 TYR H H 1 8.409 0.030 . 1 . . . . 70 TYR H . 11105 1 819 . 1 1 70 70 TYR HA H 1 5.056 0.030 . 1 . . . . 70 TYR HA . 11105 1 820 . 1 1 70 70 TYR HB2 H 1 3.075 0.030 . 2 . . . . 70 TYR HB2 . 11105 1 821 . 1 1 70 70 TYR HB3 H 1 2.819 0.030 . 2 . . . . 70 TYR HB3 . 11105 1 822 . 1 1 70 70 TYR HD1 H 1 7.395 0.030 . 1 . . . . 70 TYR HD1 . 11105 1 823 . 1 1 70 70 TYR HD2 H 1 7.395 0.030 . 1 . . . . 70 TYR HD2 . 11105 1 824 . 1 1 70 70 TYR HE1 H 1 7.127 0.030 . 1 . . . . 70 TYR HE1 . 11105 1 825 . 1 1 70 70 TYR HE2 H 1 7.127 0.030 . 1 . . . . 70 TYR HE2 . 11105 1 826 . 1 1 70 70 TYR C C 13 176.876 0.300 . 1 . . . . 70 TYR C . 11105 1 827 . 1 1 70 70 TYR CA C 13 56.311 0.300 . 1 . . . . 70 TYR CA . 11105 1 828 . 1 1 70 70 TYR CB C 13 36.242 0.300 . 1 . . . . 70 TYR CB . 11105 1 829 . 1 1 70 70 TYR CD1 C 13 133.986 0.300 . 1 . . . . 70 TYR CD1 . 11105 1 830 . 1 1 70 70 TYR CD2 C 13 133.986 0.300 . 1 . . . . 70 TYR CD2 . 11105 1 831 . 1 1 70 70 TYR CE1 C 13 118.387 0.300 . 1 . . . . 70 TYR CE1 . 11105 1 832 . 1 1 70 70 TYR CE2 C 13 118.387 0.300 . 1 . . . . 70 TYR CE2 . 11105 1 833 . 1 1 70 70 TYR N N 15 119.788 0.300 . 1 . . . . 70 TYR N . 11105 1 834 . 1 1 71 71 THR H H 1 7.754 0.030 . 1 . . . . 71 THR H . 11105 1 835 . 1 1 71 71 THR HA H 1 4.172 0.030 . 1 . . . . 71 THR HA . 11105 1 836 . 1 1 71 71 THR HB H 1 4.293 0.030 . 1 . . . . 71 THR HB . 11105 1 837 . 1 1 71 71 THR HG21 H 1 1.358 0.030 . 1 . . . . 71 THR HG2 . 11105 1 838 . 1 1 71 71 THR HG22 H 1 1.358 0.030 . 1 . . . . 71 THR HG2 . 11105 1 839 . 1 1 71 71 THR HG23 H 1 1.358 0.030 . 1 . . . . 71 THR HG2 . 11105 1 840 . 1 1 71 71 THR C C 13 177.449 0.300 . 1 . . . . 71 THR C . 11105 1 841 . 1 1 71 71 THR CA C 13 65.502 0.300 . 1 . . . . 71 THR CA . 11105 1 842 . 1 1 71 71 THR CB C 13 68.692 0.300 . 1 . . . . 71 THR CB . 11105 1 843 . 1 1 71 71 THR CG2 C 13 22.280 0.300 . 1 . . . . 71 THR CG2 . 11105 1 844 . 1 1 71 71 THR N N 15 116.382 0.300 . 1 . . . . 71 THR N . 11105 1 845 . 1 1 72 72 ASP H H 1 9.305 0.030 . 1 . . . . 72 ASP H . 11105 1 846 . 1 1 72 72 ASP HA H 1 4.660 0.030 . 1 . . . . 72 ASP HA . 11105 1 847 . 1 1 72 72 ASP HB2 H 1 2.780 0.030 . 1 . . . . 72 ASP HB2 . 11105 1 848 . 1 1 72 72 ASP HB3 H 1 2.780 0.030 . 1 . . . . 72 ASP HB3 . 11105 1 849 . 1 1 72 72 ASP C C 13 178.807 0.300 . 1 . . . . 72 ASP C . 11105 1 850 . 1 1 72 72 ASP CA C 13 57.327 0.300 . 1 . . . . 72 ASP CA . 11105 1 851 . 1 1 72 72 ASP CB C 13 40.641 0.300 . 1 . . . . 72 ASP CB . 11105 1 852 . 1 1 72 72 ASP N N 15 122.111 0.300 . 1 . . . . 72 ASP N . 11105 1 853 . 1 1 73 73 VAL H H 1 7.689 0.030 . 1 . . . . 73 VAL H . 11105 1 854 . 1 1 73 73 VAL HA H 1 3.798 0.030 . 1 . . . . 73 VAL HA . 11105 1 855 . 1 1 73 73 VAL HB H 1 2.555 0.030 . 1 . . . . 73 VAL HB . 11105 1 856 . 1 1 73 73 VAL HG11 H 1 1.160 0.030 . 1 . . . . 73 VAL HG1 . 11105 1 857 . 1 1 73 73 VAL HG12 H 1 1.160 0.030 . 1 . . . . 73 VAL HG1 . 11105 1 858 . 1 1 73 73 VAL HG13 H 1 1.160 0.030 . 1 . . . . 73 VAL HG1 . 11105 1 859 . 1 1 73 73 VAL HG21 H 1 1.100 0.030 . 1 . . . . 73 VAL HG2 . 11105 1 860 . 1 1 73 73 VAL HG22 H 1 1.100 0.030 . 1 . . . . 73 VAL HG2 . 11105 1 861 . 1 1 73 73 VAL HG23 H 1 1.100 0.030 . 1 . . . . 73 VAL HG2 . 11105 1 862 . 1 1 73 73 VAL C C 13 177.691 0.300 . 1 . . . . 73 VAL C . 11105 1 863 . 1 1 73 73 VAL CA C 13 66.239 0.300 . 1 . . . . 73 VAL CA . 11105 1 864 . 1 1 73 73 VAL CB C 13 31.366 0.300 . 1 . . . . 73 VAL CB . 11105 1 865 . 1 1 73 73 VAL CG1 C 13 23.108 0.300 . 2 . . . . 73 VAL CG1 . 11105 1 866 . 1 1 73 73 VAL CG2 C 13 23.975 0.300 . 2 . . . . 73 VAL CG2 . 11105 1 867 . 1 1 73 73 VAL N N 15 119.037 0.300 . 1 . . . . 73 VAL N . 11105 1 868 . 1 1 74 74 SER H H 1 7.337 0.030 . 1 . . . . 74 SER H . 11105 1 869 . 1 1 74 74 SER HA H 1 4.142 0.030 . 1 . . . . 74 SER HA . 11105 1 870 . 1 1 74 74 SER HB2 H 1 4.419 0.030 . 2 . . . . 74 SER HB2 . 11105 1 871 . 1 1 74 74 SER HB3 H 1 4.264 0.030 . 2 . . . . 74 SER HB3 . 11105 1 872 . 1 1 74 74 SER C C 13 177.083 0.300 . 1 . . . . 74 SER C . 11105 1 873 . 1 1 74 74 SER CA C 13 62.069 0.300 . 1 . . . . 74 SER CA . 11105 1 874 . 1 1 74 74 SER CB C 13 62.783 0.300 . 1 . . . . 74 SER CB . 11105 1 875 . 1 1 74 74 SER N N 15 114.225 0.300 . 1 . . . . 74 SER N . 11105 1 876 . 1 1 75 75 THR H H 1 7.710 0.030 . 1 . . . . 75 THR H . 11105 1 877 . 1 1 75 75 THR HA H 1 4.050 0.030 . 1 . . . . 75 THR HA . 11105 1 878 . 1 1 75 75 THR HB H 1 4.303 0.030 . 1 . . . . 75 THR HB . 11105 1 879 . 1 1 75 75 THR HG21 H 1 1.253 0.030 . 1 . . . . 75 THR HG2 . 11105 1 880 . 1 1 75 75 THR HG22 H 1 1.253 0.030 . 1 . . . . 75 THR HG2 . 11105 1 881 . 1 1 75 75 THR HG23 H 1 1.253 0.030 . 1 . . . . 75 THR HG2 . 11105 1 882 . 1 1 75 75 THR C C 13 177.560 0.300 . 1 . . . . 75 THR C . 11105 1 883 . 1 1 75 75 THR CA C 13 65.555 0.300 . 1 . . . . 75 THR CA . 11105 1 884 . 1 1 75 75 THR CB C 13 68.601 0.300 . 1 . . . . 75 THR CB . 11105 1 885 . 1 1 75 75 THR CG2 C 13 22.274 0.300 . 1 . . . . 75 THR CG2 . 11105 1 886 . 1 1 75 75 THR N N 15 115.221 0.300 . 1 . . . . 75 THR N . 11105 1 887 . 1 1 76 76 ARG H H 1 8.190 0.030 . 1 . . . . 76 ARG H . 11105 1 888 . 1 1 76 76 ARG HA H 1 3.955 0.030 . 1 . . . . 76 ARG HA . 11105 1 889 . 1 1 76 76 ARG HB2 H 1 1.859 0.030 . 2 . . . . 76 ARG HB2 . 11105 1 890 . 1 1 76 76 ARG HB3 H 1 1.595 0.030 . 2 . . . . 76 ARG HB3 . 11105 1 891 . 1 1 76 76 ARG HD2 H 1 3.213 0.030 . 2 . . . . 76 ARG HD2 . 11105 1 892 . 1 1 76 76 ARG HD3 H 1 3.115 0.030 . 2 . . . . 76 ARG HD3 . 11105 1 893 . 1 1 76 76 ARG HE H 1 7.348 0.030 . 1 . . . . 76 ARG HE . 11105 1 894 . 1 1 76 76 ARG HG2 H 1 1.218 0.030 . 2 . . . . 76 ARG HG2 . 11105 1 895 . 1 1 76 76 ARG HG3 H 1 1.678 0.030 . 2 . . . . 76 ARG HG3 . 11105 1 896 . 1 1 76 76 ARG C C 13 177.738 0.300 . 1 . . . . 76 ARG C . 11105 1 897 . 1 1 76 76 ARG CA C 13 59.973 0.300 . 1 . . . . 76 ARG CA . 11105 1 898 . 1 1 76 76 ARG CB C 13 30.700 0.300 . 1 . . . . 76 ARG CB . 11105 1 899 . 1 1 76 76 ARG CD C 13 43.718 0.300 . 1 . . . . 76 ARG CD . 11105 1 900 . 1 1 76 76 ARG CG C 13 27.569 0.300 . 1 . . . . 76 ARG CG . 11105 1 901 . 1 1 76 76 ARG N N 15 121.762 0.300 . 1 . . . . 76 ARG N . 11105 1 902 . 1 1 76 76 ARG NE N 15 84.167 0.300 . 1 . . . . 76 ARG NE . 11105 1 903 . 1 1 77 77 TYR H H 1 7.992 0.030 . 1 . . . . 77 TYR H . 11105 1 904 . 1 1 77 77 TYR HA H 1 4.284 0.030 . 1 . . . . 77 TYR HA . 11105 1 905 . 1 1 77 77 TYR HB2 H 1 2.786 0.030 . 2 . . . . 77 TYR HB2 . 11105 1 906 . 1 1 77 77 TYR HB3 H 1 2.428 0.030 . 2 . . . . 77 TYR HB3 . 11105 1 907 . 1 1 77 77 TYR HD1 H 1 7.477 0.030 . 1 . . . . 77 TYR HD1 . 11105 1 908 . 1 1 77 77 TYR HD2 H 1 7.477 0.030 . 1 . . . . 77 TYR HD2 . 11105 1 909 . 1 1 77 77 TYR HE1 H 1 6.704 0.030 . 1 . . . . 77 TYR HE1 . 11105 1 910 . 1 1 77 77 TYR HE2 H 1 6.704 0.030 . 1 . . . . 77 TYR HE2 . 11105 1 911 . 1 1 77 77 TYR C C 13 173.482 0.300 . 1 . . . . 77 TYR C . 11105 1 912 . 1 1 77 77 TYR CA C 13 58.931 0.300 . 1 . . . . 77 TYR CA . 11105 1 913 . 1 1 77 77 TYR CB C 13 37.311 0.300 . 1 . . . . 77 TYR CB . 11105 1 914 . 1 1 77 77 TYR CD1 C 13 133.339 0.300 . 1 . . . . 77 TYR CD1 . 11105 1 915 . 1 1 77 77 TYR CD2 C 13 133.339 0.300 . 1 . . . . 77 TYR CD2 . 11105 1 916 . 1 1 77 77 TYR CE1 C 13 117.572 0.300 . 1 . . . . 77 TYR CE1 . 11105 1 917 . 1 1 77 77 TYR CE2 C 13 117.572 0.300 . 1 . . . . 77 TYR CE2 . 11105 1 918 . 1 1 77 77 TYR N N 15 113.619 0.300 . 1 . . . . 77 TYR N . 11105 1 919 . 1 1 78 78 LYS H H 1 7.417 0.030 . 1 . . . . 78 LYS H . 11105 1 920 . 1 1 78 78 LYS HA H 1 3.858 0.030 . 1 . . . . 78 LYS HA . 11105 1 921 . 1 1 78 78 LYS HB2 H 1 1.973 0.030 . 2 . . . . 78 LYS HB2 . 11105 1 922 . 1 1 78 78 LYS HB3 H 1 1.753 0.030 . 2 . . . . 78 LYS HB3 . 11105 1 923 . 1 1 78 78 LYS HD2 H 1 1.650 0.030 . 2 . . . . 78 LYS HD2 . 11105 1 924 . 1 1 78 78 LYS HD3 H 1 1.585 0.030 . 2 . . . . 78 LYS HD3 . 11105 1 925 . 1 1 78 78 LYS HE2 H 1 2.931 0.030 . 2 . . . . 78 LYS HE2 . 11105 1 926 . 1 1 78 78 LYS HG2 H 1 1.324 0.030 . 2 . . . . 78 LYS HG2 . 11105 1 927 . 1 1 78 78 LYS HG3 H 1 1.228 0.030 . 2 . . . . 78 LYS HG3 . 11105 1 928 . 1 1 78 78 LYS C C 13 175.142 0.300 . 1 . . . . 78 LYS C . 11105 1 929 . 1 1 78 78 LYS CA C 13 57.002 0.300 . 1 . . . . 78 LYS CA . 11105 1 930 . 1 1 78 78 LYS CB C 13 28.692 0.300 . 1 . . . . 78 LYS CB . 11105 1 931 . 1 1 78 78 LYS CD C 13 29.050 0.300 . 1 . . . . 78 LYS CD . 11105 1 932 . 1 1 78 78 LYS CE C 13 42.347 0.300 . 1 . . . . 78 LYS CE . 11105 1 933 . 1 1 78 78 LYS CG C 13 24.780 0.300 . 1 . . . . 78 LYS CG . 11105 1 934 . 1 1 78 78 LYS N N 15 117.023 0.300 . 1 . . . . 78 LYS N . 11105 1 935 . 1 1 79 79 VAL H H 1 8.415 0.030 . 1 . . . . 79 VAL H . 11105 1 936 . 1 1 79 79 VAL HA H 1 3.933 0.030 . 1 . . . . 79 VAL HA . 11105 1 937 . 1 1 79 79 VAL HB H 1 1.626 0.030 . 1 . . . . 79 VAL HB . 11105 1 938 . 1 1 79 79 VAL HG11 H 1 0.740 0.030 . 1 . . . . 79 VAL HG1 . 11105 1 939 . 1 1 79 79 VAL HG12 H 1 0.740 0.030 . 1 . . . . 79 VAL HG1 . 11105 1 940 . 1 1 79 79 VAL HG13 H 1 0.740 0.030 . 1 . . . . 79 VAL HG1 . 11105 1 941 . 1 1 79 79 VAL HG21 H 1 0.300 0.030 . 1 . . . . 79 VAL HG2 . 11105 1 942 . 1 1 79 79 VAL HG22 H 1 0.300 0.030 . 1 . . . . 79 VAL HG2 . 11105 1 943 . 1 1 79 79 VAL HG23 H 1 0.300 0.030 . 1 . . . . 79 VAL HG2 . 11105 1 944 . 1 1 79 79 VAL C C 13 174.349 0.300 . 1 . . . . 79 VAL C . 11105 1 945 . 1 1 79 79 VAL CA C 13 61.939 0.300 . 1 . . . . 79 VAL CA . 11105 1 946 . 1 1 79 79 VAL CB C 13 34.108 0.300 . 1 . . . . 79 VAL CB . 11105 1 947 . 1 1 79 79 VAL CG1 C 13 21.271 0.300 . 2 . . . . 79 VAL CG1 . 11105 1 948 . 1 1 79 79 VAL CG2 C 13 20.040 0.300 . 2 . . . . 79 VAL CG2 . 11105 1 949 . 1 1 79 79 VAL N N 15 121.261 0.300 . 1 . . . . 79 VAL N . 11105 1 950 . 1 1 80 80 SER H H 1 7.740 0.030 . 1 . . . . 80 SER H . 11105 1 951 . 1 1 80 80 SER HA H 1 4.377 0.030 . 1 . . . . 80 SER HA . 11105 1 952 . 1 1 80 80 SER HB2 H 1 3.946 0.030 . 2 . . . . 80 SER HB2 . 11105 1 953 . 1 1 80 80 SER HB3 H 1 3.800 0.030 . 2 . . . . 80 SER HB3 . 11105 1 954 . 1 1 80 80 SER C C 13 176.143 0.300 . 1 . . . . 80 SER C . 11105 1 955 . 1 1 80 80 SER CA C 13 57.920 0.300 . 1 . . . . 80 SER CA . 11105 1 956 . 1 1 80 80 SER CB C 13 63.785 0.300 . 1 . . . . 80 SER CB . 11105 1 957 . 1 1 80 80 SER N N 15 120.353 0.300 . 1 . . . . 80 SER N . 11105 1 958 . 1 1 81 81 THR H H 1 8.613 0.030 . 1 . . . . 81 THR H . 11105 1 959 . 1 1 81 81 THR HA H 1 4.446 0.030 . 1 . . . . 81 THR HA . 11105 1 960 . 1 1 81 81 THR HB H 1 4.852 0.030 . 1 . . . . 81 THR HB . 11105 1 961 . 1 1 81 81 THR HG21 H 1 1.174 0.030 . 1 . . . . 81 THR HG2 . 11105 1 962 . 1 1 81 81 THR HG22 H 1 1.174 0.030 . 1 . . . . 81 THR HG2 . 11105 1 963 . 1 1 81 81 THR HG23 H 1 1.174 0.030 . 1 . . . . 81 THR HG2 . 11105 1 964 . 1 1 81 81 THR C C 13 174.386 0.300 . 1 . . . . 81 THR C . 11105 1 965 . 1 1 81 81 THR CA C 13 60.757 0.300 . 1 . . . . 81 THR CA . 11105 1 966 . 1 1 81 81 THR CB C 13 68.538 0.300 . 1 . . . . 81 THR CB . 11105 1 967 . 1 1 81 81 THR CG2 C 13 21.802 0.300 . 1 . . . . 81 THR CG2 . 11105 1 968 . 1 1 81 81 THR N N 15 115.265 0.300 . 1 . . . . 81 THR N . 11105 1 969 . 1 1 82 82 SER H H 1 8.036 0.030 . 1 . . . . 82 SER H . 11105 1 970 . 1 1 82 82 SER HB2 H 1 3.912 0.030 . 2 . . . . 82 SER HB2 . 11105 1 971 . 1 1 82 82 SER HB3 H 1 4.040 0.030 . 2 . . . . 82 SER HB3 . 11105 1 972 . 1 1 82 82 SER C C 13 174.922 0.300 . 1 . . . . 82 SER C . 11105 1 973 . 1 1 82 82 SER CA C 13 56.342 0.300 . 1 . . . . 82 SER CA . 11105 1 974 . 1 1 82 82 SER CB C 13 63.375 0.300 . 1 . . . . 82 SER CB . 11105 1 975 . 1 1 82 82 SER N N 15 118.189 0.300 . 1 . . . . 82 SER N . 11105 1 976 . 1 1 83 83 PRO HA H 1 4.555 0.030 . 1 . . . . 83 PRO HA . 11105 1 977 . 1 1 83 83 PRO HB2 H 1 2.394 0.030 . 2 . . . . 83 PRO HB2 . 11105 1 978 . 1 1 83 83 PRO HB3 H 1 1.972 0.030 . 2 . . . . 83 PRO HB3 . 11105 1 979 . 1 1 83 83 PRO HD2 H 1 3.993 0.030 . 2 . . . . 83 PRO HD2 . 11105 1 980 . 1 1 83 83 PRO HD3 H 1 3.857 0.030 . 2 . . . . 83 PRO HD3 . 11105 1 981 . 1 1 83 83 PRO HG2 H 1 1.957 0.030 . 2 . . . . 83 PRO HG2 . 11105 1 982 . 1 1 83 83 PRO HG3 H 1 2.011 0.030 . 2 . . . . 83 PRO HG3 . 11105 1 983 . 1 1 83 83 PRO C C 13 178.146 0.300 . 1 . . . . 83 PRO C . 11105 1 984 . 1 1 83 83 PRO CA C 13 64.954 0.300 . 1 . . . . 83 PRO CA . 11105 1 985 . 1 1 83 83 PRO CB C 13 32.050 0.300 . 1 . . . . 83 PRO CB . 11105 1 986 . 1 1 83 83 PRO CD C 13 50.994 0.300 . 1 . . . . 83 PRO CD . 11105 1 987 . 1 1 83 83 PRO CG C 13 27.538 0.300 . 1 . . . . 83 PRO CG . 11105 1 988 . 1 1 84 84 LEU H H 1 8.036 0.030 . 1 . . . . 84 LEU H . 11105 1 989 . 1 1 84 84 LEU HA H 1 4.317 0.030 . 1 . . . . 84 LEU HA . 11105 1 990 . 1 1 84 84 LEU HB2 H 1 1.718 0.030 . 2 . . . . 84 LEU HB2 . 11105 1 991 . 1 1 84 84 LEU HB3 H 1 1.678 0.030 . 2 . . . . 84 LEU HB3 . 11105 1 992 . 1 1 84 84 LEU HD11 H 1 0.924 0.030 . 1 . . . . 84 LEU HD1 . 11105 1 993 . 1 1 84 84 LEU HD12 H 1 0.924 0.030 . 1 . . . . 84 LEU HD1 . 11105 1 994 . 1 1 84 84 LEU HD13 H 1 0.924 0.030 . 1 . . . . 84 LEU HD1 . 11105 1 995 . 1 1 84 84 LEU HD21 H 1 0.882 0.030 . 1 . . . . 84 LEU HD2 . 11105 1 996 . 1 1 84 84 LEU HD22 H 1 0.882 0.030 . 1 . . . . 84 LEU HD2 . 11105 1 997 . 1 1 84 84 LEU HD23 H 1 0.882 0.030 . 1 . . . . 84 LEU HD2 . 11105 1 998 . 1 1 84 84 LEU HG H 1 1.607 0.030 . 1 . . . . 84 LEU HG . 11105 1 999 . 1 1 84 84 LEU C C 13 178.114 0.300 . 1 . . . . 84 LEU C . 11105 1 1000 . 1 1 84 84 LEU CA C 13 55.827 0.300 . 1 . . . . 84 LEU CA . 11105 1 1001 . 1 1 84 84 LEU CB C 13 41.377 0.300 . 1 . . . . 84 LEU CB . 11105 1 1002 . 1 1 84 84 LEU CD1 C 13 25.029 0.300 . 2 . . . . 84 LEU CD1 . 11105 1 1003 . 1 1 84 84 LEU CD2 C 13 22.744 0.300 . 2 . . . . 84 LEU CD2 . 11105 1 1004 . 1 1 84 84 LEU CG C 13 27.302 0.300 . 1 . . . . 84 LEU CG . 11105 1 1005 . 1 1 84 84 LEU N N 15 115.930 0.300 . 1 . . . . 84 LEU N . 11105 1 1006 . 1 1 85 85 THR H H 1 7.657 0.030 . 1 . . . . 85 THR H . 11105 1 1007 . 1 1 85 85 THR HA H 1 4.329 0.030 . 1 . . . . 85 THR HA . 11105 1 1008 . 1 1 85 85 THR HB H 1 4.394 0.030 . 1 . . . . 85 THR HB . 11105 1 1009 . 1 1 85 85 THR HG21 H 1 1.297 0.030 . 1 . . . . 85 THR HG2 . 11105 1 1010 . 1 1 85 85 THR HG22 H 1 1.297 0.030 . 1 . . . . 85 THR HG2 . 11105 1 1011 . 1 1 85 85 THR HG23 H 1 1.297 0.030 . 1 . . . . 85 THR HG2 . 11105 1 1012 . 1 1 85 85 THR C C 13 174.551 0.300 . 1 . . . . 85 THR C . 11105 1 1013 . 1 1 85 85 THR CA C 13 62.077 0.300 . 1 . . . . 85 THR CA . 11105 1 1014 . 1 1 85 85 THR CB C 13 69.911 0.300 . 1 . . . . 85 THR CB . 11105 1 1015 . 1 1 85 85 THR CG2 C 13 22.225 0.300 . 1 . . . . 85 THR CG2 . 11105 1 1016 . 1 1 85 85 THR N N 15 111.227 0.300 . 1 . . . . 85 THR N . 11105 1 1017 . 1 1 86 86 LYS H H 1 7.991 0.030 . 1 . . . . 86 LYS H . 11105 1 1018 . 1 1 86 86 LYS HA H 1 4.497 0.030 . 1 . . . . 86 LYS HA . 11105 1 1019 . 1 1 86 86 LYS HB2 H 1 2.140 0.030 . 2 . . . . 86 LYS HB2 . 11105 1 1020 . 1 1 86 86 LYS HB3 H 1 1.813 0.030 . 2 . . . . 86 LYS HB3 . 11105 1 1021 . 1 1 86 86 LYS HD2 H 1 1.796 0.030 . 1 . . . . 86 LYS HD2 . 11105 1 1022 . 1 1 86 86 LYS HD3 H 1 1.796 0.030 . 1 . . . . 86 LYS HD3 . 11105 1 1023 . 1 1 86 86 LYS HE2 H 1 3.079 0.030 . 2 . . . . 86 LYS HE2 . 11105 1 1024 . 1 1 86 86 LYS HG2 H 1 1.518 0.030 . 2 . . . . 86 LYS HG2 . 11105 1 1025 . 1 1 86 86 LYS HG3 H 1 1.469 0.030 . 2 . . . . 86 LYS HG3 . 11105 1 1026 . 1 1 86 86 LYS C C 13 176.640 0.300 . 1 . . . . 86 LYS C . 11105 1 1027 . 1 1 86 86 LYS CA C 13 56.533 0.300 . 1 . . . . 86 LYS CA . 11105 1 1028 . 1 1 86 86 LYS CB C 13 30.642 0.300 . 1 . . . . 86 LYS CB . 11105 1 1029 . 1 1 86 86 LYS CD C 13 28.935 0.300 . 1 . . . . 86 LYS CD . 11105 1 1030 . 1 1 86 86 LYS CE C 13 42.484 0.300 . 1 . . . . 86 LYS CE . 11105 1 1031 . 1 1 86 86 LYS CG C 13 24.998 0.300 . 1 . . . . 86 LYS CG . 11105 1 1032 . 1 1 86 86 LYS N N 15 118.678 0.300 . 1 . . . . 86 LYS N . 11105 1 1033 . 1 1 87 87 GLN H H 1 8.490 0.030 . 1 . . . . 87 GLN H . 11105 1 1034 . 1 1 87 87 GLN HA H 1 4.170 0.030 . 1 . . . . 87 GLN HA . 11105 1 1035 . 1 1 87 87 GLN HB2 H 1 2.441 0.030 . 2 . . . . 87 GLN HB2 . 11105 1 1036 . 1 1 87 87 GLN HB3 H 1 1.900 0.030 . 2 . . . . 87 GLN HB3 . 11105 1 1037 . 1 1 87 87 GLN HE21 H 1 7.183 0.030 . 2 . . . . 87 GLN HE21 . 11105 1 1038 . 1 1 87 87 GLN HE22 H 1 8.007 0.030 . 2 . . . . 87 GLN HE22 . 11105 1 1039 . 1 1 87 87 GLN HG2 H 1 2.151 0.030 . 2 . . . . 87 GLN HG2 . 11105 1 1040 . 1 1 87 87 GLN HG3 H 1 2.307 0.030 . 2 . . . . 87 GLN HG3 . 11105 1 1041 . 1 1 87 87 GLN C C 13 173.474 0.300 . 1 . . . . 87 GLN C . 11105 1 1042 . 1 1 87 87 GLN CA C 13 55.787 0.300 . 1 . . . . 87 GLN CA . 11105 1 1043 . 1 1 87 87 GLN CB C 13 31.098 0.300 . 1 . . . . 87 GLN CB . 11105 1 1044 . 1 1 87 87 GLN CG C 13 36.258 0.300 . 1 . . . . 87 GLN CG . 11105 1 1045 . 1 1 87 87 GLN N N 15 116.393 0.300 . 1 . . . . 87 GLN N . 11105 1 1046 . 1 1 87 87 GLN NE2 N 15 114.425 0.300 . 1 . . . . 87 GLN NE2 . 11105 1 1047 . 1 1 88 88 LEU H H 1 7.481 0.030 . 1 . . . . 88 LEU H . 11105 1 1048 . 1 1 88 88 LEU HA H 1 4.831 0.030 . 1 . . . . 88 LEU HA . 11105 1 1049 . 1 1 88 88 LEU HB2 H 1 1.767 0.030 . 2 . . . . 88 LEU HB2 . 11105 1 1050 . 1 1 88 88 LEU HB3 H 1 0.669 0.030 . 2 . . . . 88 LEU HB3 . 11105 1 1051 . 1 1 88 88 LEU HD11 H 1 0.574 0.030 . 1 . . . . 88 LEU HD1 . 11105 1 1052 . 1 1 88 88 LEU HD12 H 1 0.574 0.030 . 1 . . . . 88 LEU HD1 . 11105 1 1053 . 1 1 88 88 LEU HD13 H 1 0.574 0.030 . 1 . . . . 88 LEU HD1 . 11105 1 1054 . 1 1 88 88 LEU HD21 H 1 0.468 0.030 . 1 . . . . 88 LEU HD2 . 11105 1 1055 . 1 1 88 88 LEU HD22 H 1 0.468 0.030 . 1 . . . . 88 LEU HD2 . 11105 1 1056 . 1 1 88 88 LEU HD23 H 1 0.468 0.030 . 1 . . . . 88 LEU HD2 . 11105 1 1057 . 1 1 88 88 LEU HG H 1 1.459 0.030 . 1 . . . . 88 LEU HG . 11105 1 1058 . 1 1 88 88 LEU C C 13 173.464 0.300 . 1 . . . . 88 LEU C . 11105 1 1059 . 1 1 88 88 LEU CA C 13 50.198 0.300 . 1 . . . . 88 LEU CA . 11105 1 1060 . 1 1 88 88 LEU CB C 13 43.975 0.300 . 1 . . . . 88 LEU CB . 11105 1 1061 . 1 1 88 88 LEU CD1 C 13 27.560 0.300 . 2 . . . . 88 LEU CD1 . 11105 1 1062 . 1 1 88 88 LEU CD2 C 13 23.474 0.300 . 2 . . . . 88 LEU CD2 . 11105 1 1063 . 1 1 88 88 LEU CG C 13 25.639 0.300 . 1 . . . . 88 LEU CG . 11105 1 1064 . 1 1 88 88 LEU N N 15 117.621 0.300 . 1 . . . . 88 LEU N . 11105 1 1065 . 1 1 89 89 PRO HA H 1 4.865 0.030 . 1 . . . . 89 PRO HA . 11105 1 1066 . 1 1 89 89 PRO HB2 H 1 2.572 0.030 . 2 . . . . 89 PRO HB2 . 11105 1 1067 . 1 1 89 89 PRO HB3 H 1 1.266 0.030 . 2 . . . . 89 PRO HB3 . 11105 1 1068 . 1 1 89 89 PRO HD2 H 1 3.071 0.030 . 2 . . . . 89 PRO HD2 . 11105 1 1069 . 1 1 89 89 PRO HD3 H 1 2.716 0.030 . 2 . . . . 89 PRO HD3 . 11105 1 1070 . 1 1 89 89 PRO HG2 H 1 0.040 0.030 . 2 . . . . 89 PRO HG2 . 11105 1 1071 . 1 1 89 89 PRO HG3 H 1 0.841 0.030 . 2 . . . . 89 PRO HG3 . 11105 1 1072 . 1 1 89 89 PRO C C 13 175.890 0.300 . 1 . . . . 89 PRO C . 11105 1 1073 . 1 1 89 89 PRO CA C 13 63.493 0.300 . 1 . . . . 89 PRO CA . 11105 1 1074 . 1 1 89 89 PRO CB C 13 34.723 0.300 . 1 . . . . 89 PRO CB . 11105 1 1075 . 1 1 89 89 PRO CD C 13 50.031 0.300 . 1 . . . . 89 PRO CD . 11105 1 1076 . 1 1 89 89 PRO CG C 13 22.798 0.300 . 1 . . . . 89 PRO CG . 11105 1 1077 . 1 1 90 90 THR H H 1 8.017 0.030 . 1 . . . . 90 THR H . 11105 1 1078 . 1 1 90 90 THR HA H 1 5.517 0.030 . 1 . . . . 90 THR HA . 11105 1 1079 . 1 1 90 90 THR HB H 1 3.936 0.030 . 1 . . . . 90 THR HB . 11105 1 1080 . 1 1 90 90 THR HG21 H 1 1.035 0.030 . 1 . . . . 90 THR HG2 . 11105 1 1081 . 1 1 90 90 THR HG22 H 1 1.035 0.030 . 1 . . . . 90 THR HG2 . 11105 1 1082 . 1 1 90 90 THR HG23 H 1 1.035 0.030 . 1 . . . . 90 THR HG2 . 11105 1 1083 . 1 1 90 90 THR C C 13 173.830 0.300 . 1 . . . . 90 THR C . 11105 1 1084 . 1 1 90 90 THR CA C 13 62.616 0.300 . 1 . . . . 90 THR CA . 11105 1 1085 . 1 1 90 90 THR CB C 13 74.094 0.300 . 1 . . . . 90 THR CB . 11105 1 1086 . 1 1 90 90 THR CG2 C 13 22.194 0.300 . 1 . . . . 90 THR CG2 . 11105 1 1087 . 1 1 90 90 THR N N 15 112.440 0.300 . 1 . . . . 90 THR N . 11105 1 1088 . 1 1 91 91 LEU H H 1 9.556 0.030 . 1 . . . . 91 LEU H . 11105 1 1089 . 1 1 91 91 LEU HA H 1 5.557 0.030 . 1 . . . . 91 LEU HA . 11105 1 1090 . 1 1 91 91 LEU HB2 H 1 1.590 0.030 . 2 . . . . 91 LEU HB2 . 11105 1 1091 . 1 1 91 91 LEU HB3 H 1 1.229 0.030 . 2 . . . . 91 LEU HB3 . 11105 1 1092 . 1 1 91 91 LEU HD11 H 1 0.882 0.030 . 1 . . . . 91 LEU HD1 . 11105 1 1093 . 1 1 91 91 LEU HD12 H 1 0.882 0.030 . 1 . . . . 91 LEU HD1 . 11105 1 1094 . 1 1 91 91 LEU HD13 H 1 0.882 0.030 . 1 . . . . 91 LEU HD1 . 11105 1 1095 . 1 1 91 91 LEU HD21 H 1 0.736 0.030 . 1 . . . . 91 LEU HD2 . 11105 1 1096 . 1 1 91 91 LEU HD22 H 1 0.736 0.030 . 1 . . . . 91 LEU HD2 . 11105 1 1097 . 1 1 91 91 LEU HD23 H 1 0.736 0.030 . 1 . . . . 91 LEU HD2 . 11105 1 1098 . 1 1 91 91 LEU HG H 1 1.491 0.030 . 1 . . . . 91 LEU HG . 11105 1 1099 . 1 1 91 91 LEU C C 13 175.602 0.300 . 1 . . . . 91 LEU C . 11105 1 1100 . 1 1 91 91 LEU CA C 13 53.050 0.300 . 1 . . . . 91 LEU CA . 11105 1 1101 . 1 1 91 91 LEU CB C 13 47.485 0.300 . 1 . . . . 91 LEU CB . 11105 1 1102 . 1 1 91 91 LEU CD1 C 13 26.713 0.300 . 2 . . . . 91 LEU CD1 . 11105 1 1103 . 1 1 91 91 LEU CD2 C 13 24.879 0.300 . 2 . . . . 91 LEU CD2 . 11105 1 1104 . 1 1 91 91 LEU CG C 13 27.314 0.300 . 1 . . . . 91 LEU CG . 11105 1 1105 . 1 1 91 91 LEU N N 15 127.902 0.300 . 1 . . . . 91 LEU N . 11105 1 1106 . 1 1 92 92 ILE H H 1 9.030 0.030 . 1 . . . . 92 ILE H . 11105 1 1107 . 1 1 92 92 ILE HA H 1 4.662 0.030 . 1 . . . . 92 ILE HA . 11105 1 1108 . 1 1 92 92 ILE HB H 1 1.671 0.030 . 1 . . . . 92 ILE HB . 11105 1 1109 . 1 1 92 92 ILE HD11 H 1 0.340 0.030 . 1 . . . . 92 ILE HD1 . 11105 1 1110 . 1 1 92 92 ILE HD12 H 1 0.340 0.030 . 1 . . . . 92 ILE HD1 . 11105 1 1111 . 1 1 92 92 ILE HD13 H 1 0.340 0.030 . 1 . . . . 92 ILE HD1 . 11105 1 1112 . 1 1 92 92 ILE HG12 H 1 1.513 0.030 . 2 . . . . 92 ILE HG12 . 11105 1 1113 . 1 1 92 92 ILE HG13 H 1 0.654 0.030 . 2 . . . . 92 ILE HG13 . 11105 1 1114 . 1 1 92 92 ILE HG21 H 1 0.074 0.030 . 1 . . . . 92 ILE HG2 . 11105 1 1115 . 1 1 92 92 ILE HG22 H 1 0.074 0.030 . 1 . . . . 92 ILE HG2 . 11105 1 1116 . 1 1 92 92 ILE HG23 H 1 0.074 0.030 . 1 . . . . 92 ILE HG2 . 11105 1 1117 . 1 1 92 92 ILE C C 13 173.608 0.300 . 1 . . . . 92 ILE C . 11105 1 1118 . 1 1 92 92 ILE CA C 13 61.370 0.300 . 1 . . . . 92 ILE CA . 11105 1 1119 . 1 1 92 92 ILE CB C 13 40.467 0.300 . 1 . . . . 92 ILE CB . 11105 1 1120 . 1 1 92 92 ILE CD1 C 13 12.802 0.300 . 1 . . . . 92 ILE CD1 . 11105 1 1121 . 1 1 92 92 ILE CG1 C 13 28.125 0.300 . 1 . . . . 92 ILE CG1 . 11105 1 1122 . 1 1 92 92 ILE CG2 C 13 17.192 0.300 . 1 . . . . 92 ILE CG2 . 11105 1 1123 . 1 1 92 92 ILE N N 15 121.180 0.300 . 1 . . . . 92 ILE N . 11105 1 1124 . 1 1 93 93 LEU H H 1 8.505 0.030 . 1 . . . . 93 LEU H . 11105 1 1125 . 1 1 93 93 LEU HA H 1 5.389 0.030 . 1 . . . . 93 LEU HA . 11105 1 1126 . 1 1 93 93 LEU HB2 H 1 1.972 0.030 . 2 . . . . 93 LEU HB2 . 11105 1 1127 . 1 1 93 93 LEU HB3 H 1 1.511 0.030 . 2 . . . . 93 LEU HB3 . 11105 1 1128 . 1 1 93 93 LEU HD11 H 1 0.948 0.030 . 1 . . . . 93 LEU HD1 . 11105 1 1129 . 1 1 93 93 LEU HD12 H 1 0.948 0.030 . 1 . . . . 93 LEU HD1 . 11105 1 1130 . 1 1 93 93 LEU HD13 H 1 0.948 0.030 . 1 . . . . 93 LEU HD1 . 11105 1 1131 . 1 1 93 93 LEU HD21 H 1 0.924 0.030 . 1 . . . . 93 LEU HD2 . 11105 1 1132 . 1 1 93 93 LEU HD22 H 1 0.924 0.030 . 1 . . . . 93 LEU HD2 . 11105 1 1133 . 1 1 93 93 LEU HD23 H 1 0.924 0.030 . 1 . . . . 93 LEU HD2 . 11105 1 1134 . 1 1 93 93 LEU HG H 1 1.503 0.030 . 1 . . . . 93 LEU HG . 11105 1 1135 . 1 1 93 93 LEU C C 13 174.826 0.300 . 1 . . . . 93 LEU C . 11105 1 1136 . 1 1 93 93 LEU CA C 13 53.240 0.300 . 1 . . . . 93 LEU CA . 11105 1 1137 . 1 1 93 93 LEU CB C 13 46.175 0.300 . 1 . . . . 93 LEU CB . 11105 1 1138 . 1 1 93 93 LEU CD1 C 13 25.469 0.300 . 2 . . . . 93 LEU CD1 . 11105 1 1139 . 1 1 93 93 LEU CD2 C 13 26.384 0.300 . 2 . . . . 93 LEU CD2 . 11105 1 1140 . 1 1 93 93 LEU CG C 13 27.832 0.300 . 1 . . . . 93 LEU CG . 11105 1 1141 . 1 1 93 93 LEU N N 15 128.118 0.300 . 1 . . . . 93 LEU N . 11105 1 1142 . 1 1 94 94 PHE H H 1 10.340 0.030 . 1 . . . . 94 PHE H . 11105 1 1143 . 1 1 94 94 PHE HA H 1 5.258 0.030 . 1 . . . . 94 PHE HA . 11105 1 1144 . 1 1 94 94 PHE HB2 H 1 3.124 0.030 . 2 . . . . 94 PHE HB2 . 11105 1 1145 . 1 1 94 94 PHE HB3 H 1 2.789 0.030 . 2 . . . . 94 PHE HB3 . 11105 1 1146 . 1 1 94 94 PHE HD1 H 1 6.938 0.030 . 1 . . . . 94 PHE HD1 . 11105 1 1147 . 1 1 94 94 PHE HD2 H 1 6.938 0.030 . 1 . . . . 94 PHE HD2 . 11105 1 1148 . 1 1 94 94 PHE HE1 H 1 7.289 0.030 . 1 . . . . 94 PHE HE1 . 11105 1 1149 . 1 1 94 94 PHE HE2 H 1 7.289 0.030 . 1 . . . . 94 PHE HE2 . 11105 1 1150 . 1 1 94 94 PHE HZ H 1 7.097 0.030 . 1 . . . . 94 PHE HZ . 11105 1 1151 . 1 1 94 94 PHE C C 13 175.570 0.300 . 1 . . . . 94 PHE C . 11105 1 1152 . 1 1 94 94 PHE CA C 13 57.413 0.300 . 1 . . . . 94 PHE CA . 11105 1 1153 . 1 1 94 94 PHE CB C 13 42.053 0.300 . 1 . . . . 94 PHE CB . 11105 1 1154 . 1 1 94 94 PHE CD1 C 13 132.289 0.300 . 1 . . . . 94 PHE CD1 . 11105 1 1155 . 1 1 94 94 PHE CD2 C 13 132.289 0.300 . 1 . . . . 94 PHE CD2 . 11105 1 1156 . 1 1 94 94 PHE CE1 C 13 130.550 0.300 . 1 . . . . 94 PHE CE1 . 11105 1 1157 . 1 1 94 94 PHE CE2 C 13 130.550 0.300 . 1 . . . . 94 PHE CE2 . 11105 1 1158 . 1 1 94 94 PHE CZ C 13 129.864 0.300 . 1 . . . . 94 PHE CZ . 11105 1 1159 . 1 1 94 94 PHE N N 15 127.668 0.300 . 1 . . . . 94 PHE N . 11105 1 1160 . 1 1 95 95 GLN H H 1 8.821 0.030 . 1 . . . . 95 GLN H . 11105 1 1161 . 1 1 95 95 GLN HA H 1 5.020 0.030 . 1 . . . . 95 GLN HA . 11105 1 1162 . 1 1 95 95 GLN HB2 H 1 2.081 0.030 . 2 . . . . 95 GLN HB2 . 11105 1 1163 . 1 1 95 95 GLN HB3 H 1 1.941 0.030 . 2 . . . . 95 GLN HB3 . 11105 1 1164 . 1 1 95 95 GLN HE21 H 1 7.485 0.030 . 2 . . . . 95 GLN HE21 . 11105 1 1165 . 1 1 95 95 GLN HE22 H 1 6.881 0.030 . 2 . . . . 95 GLN HE22 . 11105 1 1166 . 1 1 95 95 GLN HG2 H 1 2.504 0.030 . 2 . . . . 95 GLN HG2 . 11105 1 1167 . 1 1 95 95 GLN HG3 H 1 2.190 0.030 . 2 . . . . 95 GLN HG3 . 11105 1 1168 . 1 1 95 95 GLN C C 13 177.383 0.300 . 1 . . . . 95 GLN C . 11105 1 1169 . 1 1 95 95 GLN CA C 13 55.036 0.300 . 1 . . . . 95 GLN CA . 11105 1 1170 . 1 1 95 95 GLN CB C 13 32.311 0.300 . 1 . . . . 95 GLN CB . 11105 1 1171 . 1 1 95 95 GLN CG C 13 34.855 0.300 . 1 . . . . 95 GLN CG . 11105 1 1172 . 1 1 95 95 GLN N N 15 120.734 0.300 . 1 . . . . 95 GLN N . 11105 1 1173 . 1 1 95 95 GLN NE2 N 15 111.944 0.300 . 1 . . . . 95 GLN NE2 . 11105 1 1174 . 1 1 96 96 GLY H H 1 9.720 0.030 . 1 . . . . 96 GLY H . 11105 1 1175 . 1 1 96 96 GLY HA2 H 1 4.219 0.030 . 2 . . . . 96 GLY HA2 . 11105 1 1176 . 1 1 96 96 GLY HA3 H 1 4.040 0.030 . 2 . . . . 96 GLY HA3 . 11105 1 1177 . 1 1 96 96 GLY C C 13 175.741 0.300 . 1 . . . . 96 GLY C . 11105 1 1178 . 1 1 96 96 GLY CA C 13 47.213 0.300 . 1 . . . . 96 GLY CA . 11105 1 1179 . 1 1 96 96 GLY N N 15 117.096 0.300 . 1 . . . . 96 GLY N . 11105 1 1180 . 1 1 97 97 GLY H H 1 9.590 0.030 . 1 . . . . 97 GLY H . 11105 1 1181 . 1 1 97 97 GLY HA2 H 1 4.140 0.030 . 2 . . . . 97 GLY HA2 . 11105 1 1182 . 1 1 97 97 GLY HA3 H 1 3.528 0.030 . 2 . . . . 97 GLY HA3 . 11105 1 1183 . 1 1 97 97 GLY C C 13 172.920 0.300 . 1 . . . . 97 GLY C . 11105 1 1184 . 1 1 97 97 GLY CA C 13 45.251 0.300 . 1 . . . . 97 GLY CA . 11105 1 1185 . 1 1 97 97 GLY N N 15 106.401 0.300 . 1 . . . . 97 GLY N . 11105 1 1186 . 1 1 98 98 LYS H H 1 7.693 0.030 . 1 . . . . 98 LYS H . 11105 1 1187 . 1 1 98 98 LYS HA H 1 4.920 0.030 . 1 . . . . 98 LYS HA . 11105 1 1188 . 1 1 98 98 LYS HB2 H 1 1.933 0.030 . 2 . . . . 98 LYS HB2 . 11105 1 1189 . 1 1 98 98 LYS HB3 H 1 1.863 0.030 . 2 . . . . 98 LYS HB3 . 11105 1 1190 . 1 1 98 98 LYS HD2 H 1 1.736 0.030 . 1 . . . . 98 LYS HD2 . 11105 1 1191 . 1 1 98 98 LYS HD3 H 1 1.736 0.030 . 1 . . . . 98 LYS HD3 . 11105 1 1192 . 1 1 98 98 LYS HE2 H 1 3.058 0.030 . 2 . . . . 98 LYS HE2 . 11105 1 1193 . 1 1 98 98 LYS HG2 H 1 1.469 0.030 . 1 . . . . 98 LYS HG2 . 11105 1 1194 . 1 1 98 98 LYS HG3 H 1 1.469 0.030 . 1 . . . . 98 LYS HG3 . 11105 1 1195 . 1 1 98 98 LYS C C 13 175.646 0.300 . 1 . . . . 98 LYS C . 11105 1 1196 . 1 1 98 98 LYS CA C 13 54.328 0.300 . 1 . . . . 98 LYS CA . 11105 1 1197 . 1 1 98 98 LYS CB C 13 35.959 0.300 . 1 . . . . 98 LYS CB . 11105 1 1198 . 1 1 98 98 LYS CD C 13 28.936 0.300 . 1 . . . . 98 LYS CD . 11105 1 1199 . 1 1 98 98 LYS CE C 13 42.308 0.300 . 1 . . . . 98 LYS CE . 11105 1 1200 . 1 1 98 98 LYS CG C 13 24.271 0.300 . 1 . . . . 98 LYS CG . 11105 1 1201 . 1 1 98 98 LYS N N 15 118.226 0.300 . 1 . . . . 98 LYS N . 11105 1 1202 . 1 1 99 99 GLU H H 1 9.123 0.030 . 1 . . . . 99 GLU H . 11105 1 1203 . 1 1 99 99 GLU HA H 1 3.614 0.030 . 1 . . . . 99 GLU HA . 11105 1 1204 . 1 1 99 99 GLU HB2 H 1 1.894 0.030 . 2 . . . . 99 GLU HB2 . 11105 1 1205 . 1 1 99 99 GLU HB3 H 1 1.716 0.030 . 2 . . . . 99 GLU HB3 . 11105 1 1206 . 1 1 99 99 GLU HG2 H 1 1.817 0.030 . 2 . . . . 99 GLU HG2 . 11105 1 1207 . 1 1 99 99 GLU HG3 H 1 1.744 0.030 . 2 . . . . 99 GLU HG3 . 11105 1 1208 . 1 1 99 99 GLU C C 13 175.780 0.300 . 1 . . . . 99 GLU C . 11105 1 1209 . 1 1 99 99 GLU CA C 13 57.724 0.300 . 1 . . . . 99 GLU CA . 11105 1 1210 . 1 1 99 99 GLU CB C 13 28.677 0.300 . 1 . . . . 99 GLU CB . 11105 1 1211 . 1 1 99 99 GLU CG C 13 35.115 0.300 . 1 . . . . 99 GLU CG . 11105 1 1212 . 1 1 99 99 GLU N N 15 125.068 0.300 . 1 . . . . 99 GLU N . 11105 1 1213 . 1 1 100 100 ALA H H 1 9.692 0.030 . 1 . . . . 100 ALA H . 11105 1 1214 . 1 1 100 100 ALA HA H 1 4.614 0.030 . 1 . . . . 100 ALA HA . 11105 1 1215 . 1 1 100 100 ALA HB1 H 1 1.433 0.030 . 1 . . . . 100 ALA HB . 11105 1 1216 . 1 1 100 100 ALA HB2 H 1 1.433 0.030 . 1 . . . . 100 ALA HB . 11105 1 1217 . 1 1 100 100 ALA HB3 H 1 1.433 0.030 . 1 . . . . 100 ALA HB . 11105 1 1218 . 1 1 100 100 ALA C C 13 177.584 0.300 . 1 . . . . 100 ALA C . 11105 1 1219 . 1 1 100 100 ALA CA C 13 52.682 0.300 . 1 . . . . 100 ALA CA . 11105 1 1220 . 1 1 100 100 ALA CB C 13 21.142 0.300 . 1 . . . . 100 ALA CB . 11105 1 1221 . 1 1 100 100 ALA N N 15 132.099 0.300 . 1 . . . . 100 ALA N . 11105 1 1222 . 1 1 101 101 MET H H 1 7.559 0.030 . 1 . . . . 101 MET H . 11105 1 1223 . 1 1 101 101 MET HA H 1 4.699 0.030 . 1 . . . . 101 MET HA . 11105 1 1224 . 1 1 101 101 MET HB2 H 1 2.172 0.030 . 2 . . . . 101 MET HB2 . 11105 1 1225 . 1 1 101 101 MET HB3 H 1 1.751 0.030 . 2 . . . . 101 MET HB3 . 11105 1 1226 . 1 1 101 101 MET HE1 H 1 0.714 0.030 . 1 . . . . 101 MET HE . 11105 1 1227 . 1 1 101 101 MET HE2 H 1 0.714 0.030 . 1 . . . . 101 MET HE . 11105 1 1228 . 1 1 101 101 MET HE3 H 1 0.714 0.030 . 1 . . . . 101 MET HE . 11105 1 1229 . 1 1 101 101 MET HG2 H 1 1.820 0.030 . 2 . . . . 101 MET HG2 . 11105 1 1230 . 1 1 101 101 MET HG3 H 1 2.185 0.030 . 2 . . . . 101 MET HG3 . 11105 1 1231 . 1 1 101 101 MET C C 13 172.788 0.300 . 1 . . . . 101 MET C . 11105 1 1232 . 1 1 101 101 MET CA C 13 55.725 0.300 . 1 . . . . 101 MET CA . 11105 1 1233 . 1 1 101 101 MET CB C 13 34.664 0.300 . 1 . . . . 101 MET CB . 11105 1 1234 . 1 1 101 101 MET CE C 13 14.435 0.300 . 1 . . . . 101 MET CE . 11105 1 1235 . 1 1 101 101 MET CG C 13 30.789 0.300 . 1 . . . . 101 MET CG . 11105 1 1236 . 1 1 101 101 MET N N 15 111.399 0.300 . 1 . . . . 101 MET N . 11105 1 1237 . 1 1 102 102 ARG H H 1 8.300 0.030 . 1 . . . . 102 ARG H . 11105 1 1238 . 1 1 102 102 ARG HA H 1 5.607 0.030 . 1 . . . . 102 ARG HA . 11105 1 1239 . 1 1 102 102 ARG HB2 H 1 2.001 0.030 . 2 . . . . 102 ARG HB2 . 11105 1 1240 . 1 1 102 102 ARG HB3 H 1 1.339 0.030 . 2 . . . . 102 ARG HB3 . 11105 1 1241 . 1 1 102 102 ARG HD2 H 1 3.211 0.030 . 2 . . . . 102 ARG HD2 . 11105 1 1242 . 1 1 102 102 ARG HD3 H 1 2.982 0.030 . 2 . . . . 102 ARG HD3 . 11105 1 1243 . 1 1 102 102 ARG HE H 1 8.891 0.030 . 1 . . . . 102 ARG HE . 11105 1 1244 . 1 1 102 102 ARG HG2 H 1 1.521 0.030 . 2 . . . . 102 ARG HG2 . 11105 1 1245 . 1 1 102 102 ARG HG3 H 1 1.160 0.030 . 2 . . . . 102 ARG HG3 . 11105 1 1246 . 1 1 102 102 ARG C C 13 175.339 0.300 . 1 . . . . 102 ARG C . 11105 1 1247 . 1 1 102 102 ARG CA C 13 54.548 0.300 . 1 . . . . 102 ARG CA . 11105 1 1248 . 1 1 102 102 ARG CB C 13 36.744 0.300 . 1 . . . . 102 ARG CB . 11105 1 1249 . 1 1 102 102 ARG CD C 13 45.206 0.300 . 1 . . . . 102 ARG CD . 11105 1 1250 . 1 1 102 102 ARG CG C 13 23.269 0.300 . 1 . . . . 102 ARG CG . 11105 1 1251 . 1 1 102 102 ARG N N 15 116.105 0.300 . 1 . . . . 102 ARG N . 11105 1 1252 . 1 1 102 102 ARG NE N 15 85.317 0.300 . 1 . . . . 102 ARG NE . 11105 1 1253 . 1 1 103 103 ARG H H 1 8.949 0.030 . 1 . . . . 103 ARG H . 11105 1 1254 . 1 1 103 103 ARG HA H 1 4.148 0.030 . 1 . . . . 103 ARG HA . 11105 1 1255 . 1 1 103 103 ARG HB2 H 1 0.942 0.030 . 2 . . . . 103 ARG HB2 . 11105 1 1256 . 1 1 103 103 ARG HB3 H 1 0.229 0.030 . 2 . . . . 103 ARG HB3 . 11105 1 1257 . 1 1 103 103 ARG HD2 H 1 0.961 0.030 . 2 . . . . 103 ARG HD2 . 11105 1 1258 . 1 1 103 103 ARG HD3 H 1 2.798 0.030 . 2 . . . . 103 ARG HD3 . 11105 1 1259 . 1 1 103 103 ARG HE H 1 6.498 0.030 . 1 . . . . 103 ARG HE . 11105 1 1260 . 1 1 103 103 ARG HG2 H 1 -0.697 0.030 . 2 . . . . 103 ARG HG2 . 11105 1 1261 . 1 1 103 103 ARG HG3 H 1 0.431 0.030 . 2 . . . . 103 ARG HG3 . 11105 1 1262 . 1 1 103 103 ARG C C 13 173.160 0.300 . 1 . . . . 103 ARG C . 11105 1 1263 . 1 1 103 103 ARG CA C 13 51.905 0.300 . 1 . . . . 103 ARG CA . 11105 1 1264 . 1 1 103 103 ARG CB C 13 34.205 0.300 . 1 . . . . 103 ARG CB . 11105 1 1265 . 1 1 103 103 ARG CD C 13 41.704 0.300 . 1 . . . . 103 ARG CD . 11105 1 1266 . 1 1 103 103 ARG CG C 13 27.492 0.300 . 1 . . . . 103 ARG CG . 11105 1 1267 . 1 1 103 103 ARG N N 15 118.604 0.300 . 1 . . . . 103 ARG N . 11105 1 1268 . 1 1 103 103 ARG NE N 15 83.359 0.300 . 1 . . . . 103 ARG NE . 11105 1 1269 . 1 1 104 104 PRO HA H 1 4.369 0.030 . 1 . . . . 104 PRO HA . 11105 1 1270 . 1 1 104 104 PRO HB2 H 1 2.720 0.030 . 2 . . . . 104 PRO HB2 . 11105 1 1271 . 1 1 104 104 PRO HB3 H 1 2.331 0.030 . 2 . . . . 104 PRO HB3 . 11105 1 1272 . 1 1 104 104 PRO HD2 H 1 4.056 0.030 . 2 . . . . 104 PRO HD2 . 11105 1 1273 . 1 1 104 104 PRO HD3 H 1 4.422 0.030 . 2 . . . . 104 PRO HD3 . 11105 1 1274 . 1 1 104 104 PRO HG2 H 1 1.918 0.030 . 2 . . . . 104 PRO HG2 . 11105 1 1275 . 1 1 104 104 PRO HG3 H 1 2.333 0.030 . 2 . . . . 104 PRO HG3 . 11105 1 1276 . 1 1 104 104 PRO C C 13 176.687 0.300 . 1 . . . . 104 PRO C . 11105 1 1277 . 1 1 104 104 PRO CA C 13 62.600 0.300 . 1 . . . . 104 PRO CA . 11105 1 1278 . 1 1 104 104 PRO CB C 13 34.944 0.300 . 1 . . . . 104 PRO CB . 11105 1 1279 . 1 1 104 104 PRO CD C 13 51.161 0.300 . 1 . . . . 104 PRO CD . 11105 1 1280 . 1 1 104 104 PRO CG C 13 25.464 0.300 . 1 . . . . 104 PRO CG . 11105 1 1281 . 1 1 105 105 GLN H H 1 9.468 0.030 . 1 . . . . 105 GLN H . 11105 1 1282 . 1 1 105 105 GLN HA H 1 4.142 0.030 . 1 . . . . 105 GLN HA . 11105 1 1283 . 1 1 105 105 GLN HB2 H 1 2.006 0.030 . 2 . . . . 105 GLN HB2 . 11105 1 1284 . 1 1 105 105 GLN HB3 H 1 1.852 0.030 . 2 . . . . 105 GLN HB3 . 11105 1 1285 . 1 1 105 105 GLN HE21 H 1 7.484 0.030 . 2 . . . . 105 GLN HE21 . 11105 1 1286 . 1 1 105 105 GLN HE22 H 1 6.945 0.030 . 2 . . . . 105 GLN HE22 . 11105 1 1287 . 1 1 105 105 GLN HG2 H 1 2.337 0.030 . 2 . . . . 105 GLN HG2 . 11105 1 1288 . 1 1 105 105 GLN HG3 H 1 2.250 0.030 . 2 . . . . 105 GLN HG3 . 11105 1 1289 . 1 1 105 105 GLN C C 13 174.237 0.300 . 1 . . . . 105 GLN C . 11105 1 1290 . 1 1 105 105 GLN CA C 13 56.060 0.300 . 1 . . . . 105 GLN CA . 11105 1 1291 . 1 1 105 105 GLN CB C 13 30.530 0.300 . 1 . . . . 105 GLN CB . 11105 1 1292 . 1 1 105 105 GLN CG C 13 35.559 0.300 . 1 . . . . 105 GLN CG . 11105 1 1293 . 1 1 105 105 GLN N N 15 120.582 0.300 . 1 . . . . 105 GLN N . 11105 1 1294 . 1 1 105 105 GLN NE2 N 15 112.622 0.300 . 1 . . . . 105 GLN NE2 . 11105 1 1295 . 1 1 106 106 ILE H H 1 8.182 0.030 . 1 . . . . 106 ILE H . 11105 1 1296 . 1 1 106 106 ILE HA H 1 4.635 0.030 . 1 . . . . 106 ILE HA . 11105 1 1297 . 1 1 106 106 ILE HB H 1 1.672 0.030 . 1 . . . . 106 ILE HB . 11105 1 1298 . 1 1 106 106 ILE HD11 H 1 0.704 0.030 . 1 . . . . 106 ILE HD1 . 11105 1 1299 . 1 1 106 106 ILE HD12 H 1 0.704 0.030 . 1 . . . . 106 ILE HD1 . 11105 1 1300 . 1 1 106 106 ILE HD13 H 1 0.704 0.030 . 1 . . . . 106 ILE HD1 . 11105 1 1301 . 1 1 106 106 ILE HG12 H 1 1.406 0.030 . 2 . . . . 106 ILE HG12 . 11105 1 1302 . 1 1 106 106 ILE HG13 H 1 1.099 0.030 . 2 . . . . 106 ILE HG13 . 11105 1 1303 . 1 1 106 106 ILE HG21 H 1 0.817 0.030 . 1 . . . . 106 ILE HG2 . 11105 1 1304 . 1 1 106 106 ILE HG22 H 1 0.817 0.030 . 1 . . . . 106 ILE HG2 . 11105 1 1305 . 1 1 106 106 ILE HG23 H 1 0.817 0.030 . 1 . . . . 106 ILE HG2 . 11105 1 1306 . 1 1 106 106 ILE C C 13 176.900 0.300 . 1 . . . . 106 ILE C . 11105 1 1307 . 1 1 106 106 ILE CA C 13 59.003 0.300 . 1 . . . . 106 ILE CA . 11105 1 1308 . 1 1 106 106 ILE CB C 13 39.015 0.300 . 1 . . . . 106 ILE CB . 11105 1 1309 . 1 1 106 106 ILE CD1 C 13 11.511 0.300 . 1 . . . . 106 ILE CD1 . 11105 1 1310 . 1 1 106 106 ILE CG1 C 13 26.481 0.300 . 1 . . . . 106 ILE CG1 . 11105 1 1311 . 1 1 106 106 ILE CG2 C 13 17.363 0.300 . 1 . . . . 106 ILE CG2 . 11105 1 1312 . 1 1 106 106 ILE N N 15 118.403 0.300 . 1 . . . . 106 ILE N . 11105 1 1313 . 1 1 107 107 ASP H H 1 8.867 0.030 . 1 . . . . 107 ASP H . 11105 1 1314 . 1 1 107 107 ASP HA H 1 4.587 0.030 . 1 . . . . 107 ASP HA . 11105 1 1315 . 1 1 107 107 ASP HB2 H 1 2.576 0.030 . 2 . . . . 107 ASP HB2 . 11105 1 1316 . 1 1 107 107 ASP HB3 H 1 3.318 0.030 . 2 . . . . 107 ASP HB3 . 11105 1 1317 . 1 1 107 107 ASP C C 13 178.426 0.300 . 1 . . . . 107 ASP C . 11105 1 1318 . 1 1 107 107 ASP CA C 13 52.782 0.300 . 1 . . . . 107 ASP CA . 11105 1 1319 . 1 1 107 107 ASP CB C 13 41.294 0.300 . 1 . . . . 107 ASP CB . 11105 1 1320 . 1 1 107 107 ASP N N 15 127.016 0.300 . 1 . . . . 107 ASP N . 11105 1 1321 . 1 1 108 108 LYS H H 1 8.216 0.030 . 1 . . . . 108 LYS H . 11105 1 1322 . 1 1 108 108 LYS HA H 1 4.113 0.030 . 1 . . . . 108 LYS HA . 11105 1 1323 . 1 1 108 108 LYS HB2 H 1 1.891 0.030 . 1 . . . . 108 LYS HB2 . 11105 1 1324 . 1 1 108 108 LYS HB3 H 1 1.891 0.030 . 1 . . . . 108 LYS HB3 . 11105 1 1325 . 1 1 108 108 LYS HD2 H 1 1.706 0.030 . 1 . . . . 108 LYS HD2 . 11105 1 1326 . 1 1 108 108 LYS HD3 H 1 1.706 0.030 . 1 . . . . 108 LYS HD3 . 11105 1 1327 . 1 1 108 108 LYS HE2 H 1 2.998 0.030 . 2 . . . . 108 LYS HE2 . 11105 1 1328 . 1 1 108 108 LYS HG2 H 1 1.510 0.030 . 1 . . . . 108 LYS HG2 . 11105 1 1329 . 1 1 108 108 LYS HG3 H 1 1.510 0.030 . 1 . . . . 108 LYS HG3 . 11105 1 1330 . 1 1 108 108 LYS C C 13 177.732 0.300 . 1 . . . . 108 LYS C . 11105 1 1331 . 1 1 108 108 LYS CA C 13 58.468 0.300 . 1 . . . . 108 LYS CA . 11105 1 1332 . 1 1 108 108 LYS CB C 13 32.123 0.300 . 1 . . . . 108 LYS CB . 11105 1 1333 . 1 1 108 108 LYS CD C 13 29.026 0.300 . 1 . . . . 108 LYS CD . 11105 1 1334 . 1 1 108 108 LYS CE C 13 42.141 0.300 . 1 . . . . 108 LYS CE . 11105 1 1335 . 1 1 108 108 LYS CG C 13 25.110 0.300 . 1 . . . . 108 LYS CG . 11105 1 1336 . 1 1 108 108 LYS N N 15 116.583 0.300 . 1 . . . . 108 LYS N . 11105 1 1337 . 1 1 109 109 LYS H H 1 8.209 0.030 . 1 . . . . 109 LYS H . 11105 1 1338 . 1 1 109 109 LYS HA H 1 4.419 0.030 . 1 . . . . 109 LYS HA . 11105 1 1339 . 1 1 109 109 LYS HB2 H 1 2.010 0.030 . 2 . . . . 109 LYS HB2 . 11105 1 1340 . 1 1 109 109 LYS HB3 H 1 1.823 0.030 . 2 . . . . 109 LYS HB3 . 11105 1 1341 . 1 1 109 109 LYS HD2 H 1 1.633 0.030 . 2 . . . . 109 LYS HD2 . 11105 1 1342 . 1 1 109 109 LYS HE2 H 1 2.971 0.030 . 1 . . . . 109 LYS HE2 . 11105 1 1343 . 1 1 109 109 LYS HE3 H 1 2.971 0.030 . 1 . . . . 109 LYS HE3 . 11105 1 1344 . 1 1 109 109 LYS HG2 H 1 1.427 0.030 . 2 . . . . 109 LYS HG2 . 11105 1 1345 . 1 1 109 109 LYS HG3 H 1 1.346 0.030 . 2 . . . . 109 LYS HG3 . 11105 1 1346 . 1 1 109 109 LYS C C 13 176.819 0.300 . 1 . . . . 109 LYS C . 11105 1 1347 . 1 1 109 109 LYS CA C 13 55.361 0.300 . 1 . . . . 109 LYS CA . 11105 1 1348 . 1 1 109 109 LYS CB C 13 32.298 0.300 . 1 . . . . 109 LYS CB . 11105 1 1349 . 1 1 109 109 LYS CD C 13 28.638 0.300 . 1 . . . . 109 LYS CD . 11105 1 1350 . 1 1 109 109 LYS CE C 13 42.210 0.300 . 1 . . . . 109 LYS CE . 11105 1 1351 . 1 1 109 109 LYS CG C 13 25.198 0.300 . 1 . . . . 109 LYS CG . 11105 1 1352 . 1 1 109 109 LYS N N 15 118.645 0.300 . 1 . . . . 109 LYS N . 11105 1 1353 . 1 1 110 110 GLY H H 1 8.107 0.030 . 1 . . . . 110 GLY H . 11105 1 1354 . 1 1 110 110 GLY HA2 H 1 3.525 0.030 . 2 . . . . 110 GLY HA2 . 11105 1 1355 . 1 1 110 110 GLY HA3 H 1 4.135 0.030 . 2 . . . . 110 GLY HA3 . 11105 1 1356 . 1 1 110 110 GLY C C 13 174.023 0.300 . 1 . . . . 110 GLY C . 11105 1 1357 . 1 1 110 110 GLY CA C 13 45.641 0.300 . 1 . . . . 110 GLY CA . 11105 1 1358 . 1 1 110 110 GLY N N 15 108.583 0.300 . 1 . . . . 110 GLY N . 11105 1 1359 . 1 1 111 111 ARG H H 1 8.428 0.030 . 1 . . . . 111 ARG H . 11105 1 1360 . 1 1 111 111 ARG HA H 1 4.411 0.030 . 1 . . . . 111 ARG HA . 11105 1 1361 . 1 1 111 111 ARG HB2 H 1 1.928 0.030 . 2 . . . . 111 ARG HB2 . 11105 1 1362 . 1 1 111 111 ARG HB3 H 1 1.813 0.030 . 2 . . . . 111 ARG HB3 . 11105 1 1363 . 1 1 111 111 ARG HD2 H 1 3.207 0.030 . 2 . . . . 111 ARG HD2 . 11105 1 1364 . 1 1 111 111 ARG HG2 H 1 1.581 0.030 . 1 . . . . 111 ARG HG2 . 11105 1 1365 . 1 1 111 111 ARG HG3 H 1 1.581 0.030 . 1 . . . . 111 ARG HG3 . 11105 1 1366 . 1 1 111 111 ARG C C 13 175.548 0.300 . 1 . . . . 111 ARG C . 11105 1 1367 . 1 1 111 111 ARG CA C 13 55.086 0.300 . 1 . . . . 111 ARG CA . 11105 1 1368 . 1 1 111 111 ARG CB C 13 30.958 0.300 . 1 . . . . 111 ARG CB . 11105 1 1369 . 1 1 111 111 ARG CD C 13 43.375 0.300 . 1 . . . . 111 ARG CD . 11105 1 1370 . 1 1 111 111 ARG CG C 13 27.234 0.300 . 1 . . . . 111 ARG CG . 11105 1 1371 . 1 1 111 111 ARG N N 15 121.963 0.300 . 1 . . . . 111 ARG N . 11105 1 1372 . 1 1 112 112 ALA H H 1 8.602 0.030 . 1 . . . . 112 ALA H . 11105 1 1373 . 1 1 112 112 ALA HA H 1 4.709 0.030 . 1 . . . . 112 ALA HA . 11105 1 1374 . 1 1 112 112 ALA HB1 H 1 1.237 0.030 . 1 . . . . 112 ALA HB . 11105 1 1375 . 1 1 112 112 ALA HB2 H 1 1.237 0.030 . 1 . . . . 112 ALA HB . 11105 1 1376 . 1 1 112 112 ALA HB3 H 1 1.237 0.030 . 1 . . . . 112 ALA HB . 11105 1 1377 . 1 1 112 112 ALA C C 13 178.022 0.300 . 1 . . . . 112 ALA C . 11105 1 1378 . 1 1 112 112 ALA CA C 13 52.129 0.300 . 1 . . . . 112 ALA CA . 11105 1 1379 . 1 1 112 112 ALA CB C 13 19.433 0.300 . 1 . . . . 112 ALA CB . 11105 1 1380 . 1 1 112 112 ALA N N 15 125.064 0.300 . 1 . . . . 112 ALA N . 11105 1 1381 . 1 1 113 113 VAL H H 1 8.727 0.030 . 1 . . . . 113 VAL H . 11105 1 1382 . 1 1 113 113 VAL HA H 1 4.060 0.030 . 1 . . . . 113 VAL HA . 11105 1 1383 . 1 1 113 113 VAL HB H 1 2.069 0.030 . 1 . . . . 113 VAL HB . 11105 1 1384 . 1 1 113 113 VAL HG11 H 1 1.030 0.030 . 1 . . . . 113 VAL HG1 . 11105 1 1385 . 1 1 113 113 VAL HG12 H 1 1.030 0.030 . 1 . . . . 113 VAL HG1 . 11105 1 1386 . 1 1 113 113 VAL HG13 H 1 1.030 0.030 . 1 . . . . 113 VAL HG1 . 11105 1 1387 . 1 1 113 113 VAL HG21 H 1 0.931 0.030 . 1 . . . . 113 VAL HG2 . 11105 1 1388 . 1 1 113 113 VAL HG22 H 1 0.931 0.030 . 1 . . . . 113 VAL HG2 . 11105 1 1389 . 1 1 113 113 VAL HG23 H 1 0.931 0.030 . 1 . . . . 113 VAL HG2 . 11105 1 1390 . 1 1 113 113 VAL C C 13 175.970 0.300 . 1 . . . . 113 VAL C . 11105 1 1391 . 1 1 113 113 VAL CA C 13 61.924 0.300 . 1 . . . . 113 VAL CA . 11105 1 1392 . 1 1 113 113 VAL CB C 13 32.080 0.300 . 1 . . . . 113 VAL CB . 11105 1 1393 . 1 1 113 113 VAL CG1 C 13 20.993 0.300 . 2 . . . . 113 VAL CG1 . 11105 1 1394 . 1 1 113 113 VAL CG2 C 13 20.751 0.300 . 2 . . . . 113 VAL CG2 . 11105 1 1395 . 1 1 113 113 VAL N N 15 126.111 0.300 . 1 . . . . 113 VAL N . 11105 1 1396 . 1 1 114 114 SER H H 1 8.418 0.030 . 1 . . . . 114 SER H . 11105 1 1397 . 1 1 114 114 SER HA H 1 4.266 0.030 . 1 . . . . 114 SER HA . 11105 1 1398 . 1 1 114 114 SER HB2 H 1 3.915 0.030 . 2 . . . . 114 SER HB2 . 11105 1 1399 . 1 1 114 114 SER HB3 H 1 3.875 0.030 . 2 . . . . 114 SER HB3 . 11105 1 1400 . 1 1 114 114 SER C C 13 173.394 0.300 . 1 . . . . 114 SER C . 11105 1 1401 . 1 1 114 114 SER CA C 13 60.770 0.300 . 1 . . . . 114 SER CA . 11105 1 1402 . 1 1 114 114 SER CB C 13 63.555 0.300 . 1 . . . . 114 SER CB . 11105 1 1403 . 1 1 114 114 SER N N 15 121.837 0.300 . 1 . . . . 114 SER N . 11105 1 1404 . 1 1 115 115 TRP H H 1 8.418 0.030 . 1 . . . . 115 TRP H . 11105 1 1405 . 1 1 115 115 TRP HA H 1 4.687 0.030 . 1 . . . . 115 TRP HA . 11105 1 1406 . 1 1 115 115 TRP HB2 H 1 3.368 0.030 . 2 . . . . 115 TRP HB2 . 11105 1 1407 . 1 1 115 115 TRP HB3 H 1 2.765 0.030 . 2 . . . . 115 TRP HB3 . 11105 1 1408 . 1 1 115 115 TRP HD1 H 1 7.438 0.030 . 1 . . . . 115 TRP HD1 . 11105 1 1409 . 1 1 115 115 TRP HE1 H 1 10.088 0.030 . 1 . . . . 115 TRP HE1 . 11105 1 1410 . 1 1 115 115 TRP HE3 H 1 5.678 0.030 . 1 . . . . 115 TRP HE3 . 11105 1 1411 . 1 1 115 115 TRP HH2 H 1 6.699 0.030 . 1 . . . . 115 TRP HH2 . 11105 1 1412 . 1 1 115 115 TRP HZ2 H 1 6.973 0.030 . 1 . . . . 115 TRP HZ2 . 11105 1 1413 . 1 1 115 115 TRP HZ3 H 1 6.031 0.030 . 1 . . . . 115 TRP HZ3 . 11105 1 1414 . 1 1 115 115 TRP C C 13 174.509 0.300 . 1 . . . . 115 TRP C . 11105 1 1415 . 1 1 115 115 TRP CA C 13 58.959 0.300 . 1 . . . . 115 TRP CA . 11105 1 1416 . 1 1 115 115 TRP CB C 13 31.784 0.300 . 1 . . . . 115 TRP CB . 11105 1 1417 . 1 1 115 115 TRP CD1 C 13 127.486 0.300 . 1 . . . . 115 TRP CD1 . 11105 1 1418 . 1 1 115 115 TRP CH2 C 13 122.546 0.300 . 1 . . . . 115 TRP CH2 . 11105 1 1419 . 1 1 115 115 TRP CZ2 C 13 112.926 0.300 . 1 . . . . 115 TRP CZ2 . 11105 1 1420 . 1 1 115 115 TRP CZ3 C 13 121.290 0.300 . 1 . . . . 115 TRP CZ3 . 11105 1 1421 . 1 1 115 115 TRP N N 15 126.886 0.300 . 1 . . . . 115 TRP N . 11105 1 1422 . 1 1 116 116 THR H H 1 7.383 0.030 . 1 . . . . 116 THR H . 11105 1 1423 . 1 1 116 116 THR HA H 1 4.203 0.030 . 1 . . . . 116 THR HA . 11105 1 1424 . 1 1 116 116 THR HB H 1 3.416 0.030 . 1 . . . . 116 THR HB . 11105 1 1425 . 1 1 116 116 THR HG21 H 1 0.995 0.030 . 1 . . . . 116 THR HG2 . 11105 1 1426 . 1 1 116 116 THR HG22 H 1 0.995 0.030 . 1 . . . . 116 THR HG2 . 11105 1 1427 . 1 1 116 116 THR HG23 H 1 0.995 0.030 . 1 . . . . 116 THR HG2 . 11105 1 1428 . 1 1 116 116 THR C C 13 172.955 0.300 . 1 . . . . 116 THR C . 11105 1 1429 . 1 1 116 116 THR CA C 13 62.314 0.300 . 1 . . . . 116 THR CA . 11105 1 1430 . 1 1 116 116 THR CB C 13 69.224 0.300 . 1 . . . . 116 THR CB . 11105 1 1431 . 1 1 116 116 THR CG2 C 13 21.143 0.300 . 1 . . . . 116 THR CG2 . 11105 1 1432 . 1 1 116 116 THR N N 15 121.540 0.300 . 1 . . . . 116 THR N . 11105 1 1433 . 1 1 117 117 PHE H H 1 8.863 0.030 . 1 . . . . 117 PHE H . 11105 1 1434 . 1 1 117 117 PHE HA H 1 3.843 0.030 . 1 . . . . 117 PHE HA . 11105 1 1435 . 1 1 117 117 PHE HB2 H 1 2.759 0.030 . 1 . . . . 117 PHE HB2 . 11105 1 1436 . 1 1 117 117 PHE HB3 H 1 2.759 0.030 . 1 . . . . 117 PHE HB3 . 11105 1 1437 . 1 1 117 117 PHE HD1 H 1 6.744 0.030 . 1 . . . . 117 PHE HD1 . 11105 1 1438 . 1 1 117 117 PHE HD2 H 1 6.744 0.030 . 1 . . . . 117 PHE HD2 . 11105 1 1439 . 1 1 117 117 PHE HE1 H 1 7.143 0.030 . 1 . . . . 117 PHE HE1 . 11105 1 1440 . 1 1 117 117 PHE HE2 H 1 7.143 0.030 . 1 . . . . 117 PHE HE2 . 11105 1 1441 . 1 1 117 117 PHE HZ H 1 7.312 0.030 . 1 . . . . 117 PHE HZ . 11105 1 1442 . 1 1 117 117 PHE C C 13 175.004 0.300 . 1 . . . . 117 PHE C . 11105 1 1443 . 1 1 117 117 PHE CA C 13 58.012 0.300 . 1 . . . . 117 PHE CA . 11105 1 1444 . 1 1 117 117 PHE CB C 13 37.116 0.300 . 1 . . . . 117 PHE CB . 11105 1 1445 . 1 1 117 117 PHE CD1 C 13 131.740 0.300 . 1 . . . . 117 PHE CD1 . 11105 1 1446 . 1 1 117 117 PHE CD2 C 13 131.740 0.300 . 1 . . . . 117 PHE CD2 . 11105 1 1447 . 1 1 117 117 PHE CE1 C 13 130.468 0.300 . 1 . . . . 117 PHE CE1 . 11105 1 1448 . 1 1 117 117 PHE CE2 C 13 130.468 0.300 . 1 . . . . 117 PHE CE2 . 11105 1 1449 . 1 1 117 117 PHE CZ C 13 130.495 0.300 . 1 . . . . 117 PHE CZ . 11105 1 1450 . 1 1 117 117 PHE N N 15 129.293 0.300 . 1 . . . . 117 PHE N . 11105 1 1451 . 1 1 118 118 SER H H 1 7.325 0.030 . 1 . . . . 118 SER H . 11105 1 1452 . 1 1 118 118 SER HA H 1 4.794 0.030 . 1 . . . . 118 SER HA . 11105 1 1453 . 1 1 118 118 SER HB2 H 1 4.217 0.030 . 2 . . . . 118 SER HB2 . 11105 1 1454 . 1 1 118 118 SER HB3 H 1 3.711 0.030 . 2 . . . . 118 SER HB3 . 11105 1 1455 . 1 1 118 118 SER C C 13 174.138 0.300 . 1 . . . . 118 SER C . 11105 1 1456 . 1 1 118 118 SER CA C 13 55.269 0.300 . 1 . . . . 118 SER CA . 11105 1 1457 . 1 1 118 118 SER CB C 13 66.167 0.300 . 1 . . . . 118 SER CB . 11105 1 1458 . 1 1 118 118 SER N N 15 116.291 0.300 . 1 . . . . 118 SER N . 11105 1 1459 . 1 1 119 119 GLU H H 1 9.495 0.030 . 1 . . . . 119 GLU H . 11105 1 1460 . 1 1 119 119 GLU HA H 1 3.749 0.030 . 1 . . . . 119 GLU HA . 11105 1 1461 . 1 1 119 119 GLU HB2 H 1 2.242 0.030 . 2 . . . . 119 GLU HB2 . 11105 1 1462 . 1 1 119 119 GLU HB3 H 1 2.133 0.030 . 2 . . . . 119 GLU HB3 . 11105 1 1463 . 1 1 119 119 GLU HG2 H 1 2.284 0.030 . 1 . . . . 119 GLU HG2 . 11105 1 1464 . 1 1 119 119 GLU HG3 H 1 2.284 0.030 . 1 . . . . 119 GLU HG3 . 11105 1 1465 . 1 1 119 119 GLU C C 13 177.804 0.300 . 1 . . . . 119 GLU C . 11105 1 1466 . 1 1 119 119 GLU CA C 13 61.187 0.300 . 1 . . . . 119 GLU CA . 11105 1 1467 . 1 1 119 119 GLU CB C 13 30.128 0.300 . 1 . . . . 119 GLU CB . 11105 1 1468 . 1 1 119 119 GLU CG C 13 36.726 0.300 . 1 . . . . 119 GLU CG . 11105 1 1469 . 1 1 119 119 GLU N N 15 123.724 0.300 . 1 . . . . 119 GLU N . 11105 1 1470 . 1 1 120 120 GLU H H 1 8.856 0.030 . 1 . . . . 120 GLU H . 11105 1 1471 . 1 1 120 120 GLU HA H 1 4.009 0.030 . 1 . . . . 120 GLU HA . 11105 1 1472 . 1 1 120 120 GLU HB2 H 1 2.057 0.030 . 2 . . . . 120 GLU HB2 . 11105 1 1473 . 1 1 120 120 GLU HB3 H 1 1.921 0.030 . 2 . . . . 120 GLU HB3 . 11105 1 1474 . 1 1 120 120 GLU HG2 H 1 2.306 0.030 . 1 . . . . 120 GLU HG2 . 11105 1 1475 . 1 1 120 120 GLU HG3 H 1 2.306 0.030 . 1 . . . . 120 GLU HG3 . 11105 1 1476 . 1 1 120 120 GLU C C 13 178.808 0.300 . 1 . . . . 120 GLU C . 11105 1 1477 . 1 1 120 120 GLU CA C 13 59.570 0.300 . 1 . . . . 120 GLU CA . 11105 1 1478 . 1 1 120 120 GLU CB C 13 29.371 0.300 . 1 . . . . 120 GLU CB . 11105 1 1479 . 1 1 120 120 GLU CG C 13 36.125 0.300 . 1 . . . . 120 GLU CG . 11105 1 1480 . 1 1 120 120 GLU N N 15 115.394 0.300 . 1 . . . . 120 GLU N . 11105 1 1481 . 1 1 121 121 ASN H H 1 7.699 0.030 . 1 . . . . 121 ASN H . 11105 1 1482 . 1 1 121 121 ASN HA H 1 4.560 0.030 . 1 . . . . 121 ASN HA . 11105 1 1483 . 1 1 121 121 ASN HB2 H 1 2.601 0.030 . 2 . . . . 121 ASN HB2 . 11105 1 1484 . 1 1 121 121 ASN HB3 H 1 2.461 0.030 . 2 . . . . 121 ASN HB3 . 11105 1 1485 . 1 1 121 121 ASN HD21 H 1 7.172 0.030 . 2 . . . . 121 ASN HD21 . 11105 1 1486 . 1 1 121 121 ASN HD22 H 1 6.562 0.030 . 2 . . . . 121 ASN HD22 . 11105 1 1487 . 1 1 121 121 ASN C C 13 178.134 0.300 . 1 . . . . 121 ASN C . 11105 1 1488 . 1 1 121 121 ASN CA C 13 55.475 0.300 . 1 . . . . 121 ASN CA . 11105 1 1489 . 1 1 121 121 ASN CB C 13 36.824 0.300 . 1 . . . . 121 ASN CB . 11105 1 1490 . 1 1 121 121 ASN N N 15 118.920 0.300 . 1 . . . . 121 ASN N . 11105 1 1491 . 1 1 121 121 ASN ND2 N 15 110.420 0.300 . 1 . . . . 121 ASN ND2 . 11105 1 1492 . 1 1 122 122 VAL H H 1 8.258 0.030 . 1 . . . . 122 VAL H . 11105 1 1493 . 1 1 122 122 VAL HA H 1 4.186 0.030 . 1 . . . . 122 VAL HA . 11105 1 1494 . 1 1 122 122 VAL HB H 1 2.361 0.030 . 1 . . . . 122 VAL HB . 11105 1 1495 . 1 1 122 122 VAL HG11 H 1 0.905 0.030 . 1 . . . . 122 VAL HG1 . 11105 1 1496 . 1 1 122 122 VAL HG12 H 1 0.905 0.030 . 1 . . . . 122 VAL HG1 . 11105 1 1497 . 1 1 122 122 VAL HG13 H 1 0.905 0.030 . 1 . . . . 122 VAL HG1 . 11105 1 1498 . 1 1 122 122 VAL HG21 H 1 1.383 0.030 . 1 . . . . 122 VAL HG2 . 11105 1 1499 . 1 1 122 122 VAL HG22 H 1 1.383 0.030 . 1 . . . . 122 VAL HG2 . 11105 1 1500 . 1 1 122 122 VAL HG23 H 1 1.383 0.030 . 1 . . . . 122 VAL HG2 . 11105 1 1501 . 1 1 122 122 VAL C C 13 177.733 0.300 . 1 . . . . 122 VAL C . 11105 1 1502 . 1 1 122 122 VAL CA C 13 67.173 0.300 . 1 . . . . 122 VAL CA . 11105 1 1503 . 1 1 122 122 VAL CB C 13 31.765 0.300 . 1 . . . . 122 VAL CB . 11105 1 1504 . 1 1 122 122 VAL CG1 C 13 22.150 0.300 . 2 . . . . 122 VAL CG1 . 11105 1 1505 . 1 1 122 122 VAL CG2 C 13 23.373 0.300 . 2 . . . . 122 VAL CG2 . 11105 1 1506 . 1 1 122 122 VAL N N 15 120.257 0.300 . 1 . . . . 122 VAL N . 11105 1 1507 . 1 1 123 123 ILE H H 1 8.374 0.030 . 1 . . . . 123 ILE H . 11105 1 1508 . 1 1 123 123 ILE HA H 1 3.285 0.030 . 1 . . . . 123 ILE HA . 11105 1 1509 . 1 1 123 123 ILE HB H 1 1.838 0.030 . 1 . . . . 123 ILE HB . 11105 1 1510 . 1 1 123 123 ILE HD11 H 1 1.056 0.030 . 1 . . . . 123 ILE HD1 . 11105 1 1511 . 1 1 123 123 ILE HD12 H 1 1.056 0.030 . 1 . . . . 123 ILE HD1 . 11105 1 1512 . 1 1 123 123 ILE HD13 H 1 1.056 0.030 . 1 . . . . 123 ILE HD1 . 11105 1 1513 . 1 1 123 123 ILE HG12 H 1 1.946 0.030 . 2 . . . . 123 ILE HG12 . 11105 1 1514 . 1 1 123 123 ILE HG13 H 1 0.892 0.030 . 2 . . . . 123 ILE HG13 . 11105 1 1515 . 1 1 123 123 ILE HG21 H 1 0.907 0.030 . 1 . . . . 123 ILE HG2 . 11105 1 1516 . 1 1 123 123 ILE HG22 H 1 0.907 0.030 . 1 . . . . 123 ILE HG2 . 11105 1 1517 . 1 1 123 123 ILE HG23 H 1 0.907 0.030 . 1 . . . . 123 ILE HG2 . 11105 1 1518 . 1 1 123 123 ILE C C 13 179.054 0.300 . 1 . . . . 123 ILE C . 11105 1 1519 . 1 1 123 123 ILE CA C 13 66.807 0.300 . 1 . . . . 123 ILE CA . 11105 1 1520 . 1 1 123 123 ILE CB C 13 39.144 0.300 . 1 . . . . 123 ILE CB . 11105 1 1521 . 1 1 123 123 ILE CD1 C 13 15.369 0.300 . 1 . . . . 123 ILE CD1 . 11105 1 1522 . 1 1 123 123 ILE CG1 C 13 30.532 0.300 . 1 . . . . 123 ILE CG1 . 11105 1 1523 . 1 1 123 123 ILE CG2 C 13 17.677 0.300 . 1 . . . . 123 ILE CG2 . 11105 1 1524 . 1 1 123 123 ILE N N 15 118.286 0.300 . 1 . . . . 123 ILE N . 11105 1 1525 . 1 1 124 124 ARG H H 1 8.173 0.030 . 1 . . . . 124 ARG H . 11105 1 1526 . 1 1 124 124 ARG HA H 1 4.195 0.030 . 1 . . . . 124 ARG HA . 11105 1 1527 . 1 1 124 124 ARG HB2 H 1 2.078 0.030 . 2 . . . . 124 ARG HB2 . 11105 1 1528 . 1 1 124 124 ARG HB3 H 1 1.995 0.030 . 2 . . . . 124 ARG HB3 . 11105 1 1529 . 1 1 124 124 ARG HD2 H 1 3.364 0.030 . 1 . . . . 124 ARG HD2 . 11105 1 1530 . 1 1 124 124 ARG HD3 H 1 3.364 0.030 . 1 . . . . 124 ARG HD3 . 11105 1 1531 . 1 1 124 124 ARG HG2 H 1 1.789 0.030 . 2 . . . . 124 ARG HG2 . 11105 1 1532 . 1 1 124 124 ARG HG3 H 1 1.513 0.030 . 2 . . . . 124 ARG HG3 . 11105 1 1533 . 1 1 124 124 ARG C C 13 179.780 0.300 . 1 . . . . 124 ARG C . 11105 1 1534 . 1 1 124 124 ARG CA C 13 59.630 0.300 . 1 . . . . 124 ARG CA . 11105 1 1535 . 1 1 124 124 ARG CB C 13 31.370 0.300 . 1 . . . . 124 ARG CB . 11105 1 1536 . 1 1 124 124 ARG CD C 13 43.193 0.300 . 1 . . . . 124 ARG CD . 11105 1 1537 . 1 1 124 124 ARG CG C 13 28.039 0.300 . 1 . . . . 124 ARG CG . 11105 1 1538 . 1 1 124 124 ARG N N 15 116.693 0.300 . 1 . . . . 124 ARG N . 11105 1 1539 . 1 1 125 125 GLU H H 1 8.757 0.030 . 1 . . . . 125 GLU H . 11105 1 1540 . 1 1 125 125 GLU HA H 1 4.131 0.030 . 1 . . . . 125 GLU HA . 11105 1 1541 . 1 1 125 125 GLU HB2 H 1 2.133 0.030 . 2 . . . . 125 GLU HB2 . 11105 1 1542 . 1 1 125 125 GLU HB3 H 1 1.991 0.030 . 2 . . . . 125 GLU HB3 . 11105 1 1543 . 1 1 125 125 GLU HG2 H 1 2.869 0.030 . 2 . . . . 125 GLU HG2 . 11105 1 1544 . 1 1 125 125 GLU HG3 H 1 2.365 0.030 . 2 . . . . 125 GLU HG3 . 11105 1 1545 . 1 1 125 125 GLU C C 13 177.388 0.300 . 1 . . . . 125 GLU C . 11105 1 1546 . 1 1 125 125 GLU CA C 13 60.561 0.300 . 1 . . . . 125 GLU CA . 11105 1 1547 . 1 1 125 125 GLU CB C 13 28.387 0.300 . 1 . . . . 125 GLU CB . 11105 1 1548 . 1 1 125 125 GLU CG C 13 38.329 0.300 . 1 . . . . 125 GLU CG . 11105 1 1549 . 1 1 125 125 GLU N N 15 116.377 0.300 . 1 . . . . 125 GLU N . 11105 1 1550 . 1 1 126 126 PHE H H 1 8.080 0.030 . 1 . . . . 126 PHE H . 11105 1 1551 . 1 1 126 126 PHE HA H 1 4.458 0.030 . 1 . . . . 126 PHE HA . 11105 1 1552 . 1 1 126 126 PHE HB2 H 1 3.230 0.030 . 2 . . . . 126 PHE HB2 . 11105 1 1553 . 1 1 126 126 PHE HB3 H 1 3.045 0.030 . 2 . . . . 126 PHE HB3 . 11105 1 1554 . 1 1 126 126 PHE HD1 H 1 7.448 0.030 . 1 . . . . 126 PHE HD1 . 11105 1 1555 . 1 1 126 126 PHE HD2 H 1 7.448 0.030 . 1 . . . . 126 PHE HD2 . 11105 1 1556 . 1 1 126 126 PHE HE1 H 1 6.779 0.030 . 1 . . . . 126 PHE HE1 . 11105 1 1557 . 1 1 126 126 PHE HE2 H 1 6.779 0.030 . 1 . . . . 126 PHE HE2 . 11105 1 1558 . 1 1 126 126 PHE HZ H 1 6.863 0.030 . 1 . . . . 126 PHE HZ . 11105 1 1559 . 1 1 126 126 PHE C C 13 173.801 0.300 . 1 . . . . 126 PHE C . 11105 1 1560 . 1 1 126 126 PHE CA C 13 58.265 0.300 . 1 . . . . 126 PHE CA . 11105 1 1561 . 1 1 126 126 PHE CB C 13 36.731 0.300 . 1 . . . . 126 PHE CB . 11105 1 1562 . 1 1 126 126 PHE CD1 C 13 132.441 0.300 . 1 . . . . 126 PHE CD1 . 11105 1 1563 . 1 1 126 126 PHE CD2 C 13 132.441 0.300 . 1 . . . . 126 PHE CD2 . 11105 1 1564 . 1 1 126 126 PHE CE1 C 13 129.629 0.300 . 1 . . . . 126 PHE CE1 . 11105 1 1565 . 1 1 126 126 PHE CE2 C 13 129.629 0.300 . 1 . . . . 126 PHE CE2 . 11105 1 1566 . 1 1 126 126 PHE CZ C 13 129.602 0.300 . 1 . . . . 126 PHE CZ . 11105 1 1567 . 1 1 126 126 PHE N N 15 113.363 0.300 . 1 . . . . 126 PHE N . 11105 1 1568 . 1 1 127 127 ASN H H 1 7.415 0.030 . 1 . . . . 127 ASN H . 11105 1 1569 . 1 1 127 127 ASN HA H 1 4.510 0.030 . 1 . . . . 127 ASN HA . 11105 1 1570 . 1 1 127 127 ASN HB2 H 1 3.157 0.030 . 2 . . . . 127 ASN HB2 . 11105 1 1571 . 1 1 127 127 ASN HB3 H 1 2.675 0.030 . 2 . . . . 127 ASN HB3 . 11105 1 1572 . 1 1 127 127 ASN HD21 H 1 7.494 0.030 . 2 . . . . 127 ASN HD21 . 11105 1 1573 . 1 1 127 127 ASN HD22 H 1 6.791 0.030 . 2 . . . . 127 ASN HD22 . 11105 1 1574 . 1 1 127 127 ASN C C 13 176.326 0.300 . 1 . . . . 127 ASN C . 11105 1 1575 . 1 1 127 127 ASN CA C 13 53.902 0.300 . 1 . . . . 127 ASN CA . 11105 1 1576 . 1 1 127 127 ASN CB C 13 37.169 0.300 . 1 . . . . 127 ASN CB . 11105 1 1577 . 1 1 127 127 ASN N N 15 114.877 0.300 . 1 . . . . 127 ASN N . 11105 1 1578 . 1 1 127 127 ASN ND2 N 15 112.326 0.300 . 1 . . . . 127 ASN ND2 . 11105 1 1579 . 1 1 128 128 LEU H H 1 7.877 0.030 . 1 . . . . 128 LEU H . 11105 1 1580 . 1 1 128 128 LEU HA H 1 3.690 0.030 . 1 . . . . 128 LEU HA . 11105 1 1581 . 1 1 128 128 LEU HB2 H 1 1.058 0.030 . 2 . . . . 128 LEU HB2 . 11105 1 1582 . 1 1 128 128 LEU HB3 H 1 0.493 0.030 . 2 . . . . 128 LEU HB3 . 11105 1 1583 . 1 1 128 128 LEU HD11 H 1 0.551 0.030 . 1 . . . . 128 LEU HD1 . 11105 1 1584 . 1 1 128 128 LEU HD12 H 1 0.551 0.030 . 1 . . . . 128 LEU HD1 . 11105 1 1585 . 1 1 128 128 LEU HD13 H 1 0.551 0.030 . 1 . . . . 128 LEU HD1 . 11105 1 1586 . 1 1 128 128 LEU HD21 H 1 0.585 0.030 . 1 . . . . 128 LEU HD2 . 11105 1 1587 . 1 1 128 128 LEU HD22 H 1 0.585 0.030 . 1 . . . . 128 LEU HD2 . 11105 1 1588 . 1 1 128 128 LEU HD23 H 1 0.585 0.030 . 1 . . . . 128 LEU HD2 . 11105 1 1589 . 1 1 128 128 LEU HG H 1 1.586 0.030 . 1 . . . . 128 LEU HG . 11105 1 1590 . 1 1 128 128 LEU C C 13 178.761 0.300 . 1 . . . . 128 LEU C . 11105 1 1591 . 1 1 128 128 LEU CA C 13 58.377 0.300 . 1 . . . . 128 LEU CA . 11105 1 1592 . 1 1 128 128 LEU CB C 13 40.033 0.300 . 1 . . . . 128 LEU CB . 11105 1 1593 . 1 1 128 128 LEU CD1 C 13 26.527 0.300 . 2 . . . . 128 LEU CD1 . 11105 1 1594 . 1 1 128 128 LEU CD2 C 13 22.672 0.300 . 2 . . . . 128 LEU CD2 . 11105 1 1595 . 1 1 128 128 LEU CG C 13 26.484 0.300 . 1 . . . . 128 LEU CG . 11105 1 1596 . 1 1 128 128 LEU N N 15 113.301 0.300 . 1 . . . . 128 LEU N . 11105 1 1597 . 1 1 129 129 ASN H H 1 8.763 0.030 . 1 . . . . 129 ASN H . 11105 1 1598 . 1 1 129 129 ASN HA H 1 4.624 0.030 . 1 . . . . 129 ASN HA . 11105 1 1599 . 1 1 129 129 ASN HB2 H 1 2.827 0.030 . 1 . . . . 129 ASN HB2 . 11105 1 1600 . 1 1 129 129 ASN HB3 H 1 2.827 0.030 . 1 . . . . 129 ASN HB3 . 11105 1 1601 . 1 1 129 129 ASN HD21 H 1 7.304 0.030 . 2 . . . . 129 ASN HD21 . 11105 1 1602 . 1 1 129 129 ASN HD22 H 1 7.764 0.030 . 2 . . . . 129 ASN HD22 . 11105 1 1603 . 1 1 129 129 ASN C C 13 176.976 0.300 . 1 . . . . 129 ASN C . 11105 1 1604 . 1 1 129 129 ASN CA C 13 56.151 0.300 . 1 . . . . 129 ASN CA . 11105 1 1605 . 1 1 129 129 ASN CB C 13 37.691 0.300 . 1 . . . . 129 ASN CB . 11105 1 1606 . 1 1 129 129 ASN N N 15 114.643 0.300 . 1 . . . . 129 ASN N . 11105 1 1607 . 1 1 129 129 ASN ND2 N 15 115.852 0.300 . 1 . . . . 129 ASN ND2 . 11105 1 1608 . 1 1 130 130 GLU H H 1 7.806 0.030 . 1 . . . . 130 GLU H . 11105 1 1609 . 1 1 130 130 GLU HA H 1 4.256 0.030 . 1 . . . . 130 GLU HA . 11105 1 1610 . 1 1 130 130 GLU HB2 H 1 2.070 0.030 . 1 . . . . 130 GLU HB2 . 11105 1 1611 . 1 1 130 130 GLU HB3 H 1 2.070 0.030 . 1 . . . . 130 GLU HB3 . 11105 1 1612 . 1 1 130 130 GLU HG2 H 1 2.282 0.030 . 1 . . . . 130 GLU HG2 . 11105 1 1613 . 1 1 130 130 GLU HG3 H 1 2.282 0.030 . 1 . . . . 130 GLU HG3 . 11105 1 1614 . 1 1 130 130 GLU C C 13 178.511 0.300 . 1 . . . . 130 GLU C . 11105 1 1615 . 1 1 130 130 GLU CA C 13 58.271 0.300 . 1 . . . . 130 GLU CA . 11105 1 1616 . 1 1 130 130 GLU CB C 13 29.801 0.300 . 1 . . . . 130 GLU CB . 11105 1 1617 . 1 1 130 130 GLU CG C 13 36.730 0.300 . 1 . . . . 130 GLU CG . 11105 1 1618 . 1 1 130 130 GLU N N 15 119.299 0.300 . 1 . . . . 130 GLU N . 11105 1 1619 . 1 1 131 131 LEU H H 1 7.809 0.030 . 1 . . . . 131 LEU H . 11105 1 1620 . 1 1 131 131 LEU HA H 1 4.267 0.030 . 1 . . . . 131 LEU HA . 11105 1 1621 . 1 1 131 131 LEU HB2 H 1 1.743 0.030 . 2 . . . . 131 LEU HB2 . 11105 1 1622 . 1 1 131 131 LEU HB3 H 1 1.515 0.030 . 2 . . . . 131 LEU HB3 . 11105 1 1623 . 1 1 131 131 LEU HD11 H 1 0.971 0.030 . 1 . . . . 131 LEU HD1 . 11105 1 1624 . 1 1 131 131 LEU HD12 H 1 0.971 0.030 . 1 . . . . 131 LEU HD1 . 11105 1 1625 . 1 1 131 131 LEU HD13 H 1 0.971 0.030 . 1 . . . . 131 LEU HD1 . 11105 1 1626 . 1 1 131 131 LEU HD21 H 1 0.924 0.030 . 1 . . . . 131 LEU HD2 . 11105 1 1627 . 1 1 131 131 LEU HD22 H 1 0.924 0.030 . 1 . . . . 131 LEU HD2 . 11105 1 1628 . 1 1 131 131 LEU HD23 H 1 0.924 0.030 . 1 . . . . 131 LEU HD2 . 11105 1 1629 . 1 1 131 131 LEU HG H 1 1.910 0.030 . 1 . . . . 131 LEU HG . 11105 1 1630 . 1 1 131 131 LEU C C 13 177.451 0.300 . 1 . . . . 131 LEU C . 11105 1 1631 . 1 1 131 131 LEU CA C 13 56.326 0.300 . 1 . . . . 131 LEU CA . 11105 1 1632 . 1 1 131 131 LEU CB C 13 43.477 0.300 . 1 . . . . 131 LEU CB . 11105 1 1633 . 1 1 131 131 LEU CD1 C 13 26.788 0.300 . 2 . . . . 131 LEU CD1 . 11105 1 1634 . 1 1 131 131 LEU CD2 C 13 23.005 0.300 . 2 . . . . 131 LEU CD2 . 11105 1 1635 . 1 1 131 131 LEU CG C 13 26.820 0.300 . 1 . . . . 131 LEU CG . 11105 1 1636 . 1 1 131 131 LEU N N 15 118.384 0.300 . 1 . . . . 131 LEU N . 11105 1 1637 . 1 1 132 132 SER H H 1 7.697 0.030 . 1 . . . . 132 SER H . 11105 1 1638 . 1 1 132 132 SER HA H 1 4.649 0.030 . 1 . . . . 132 SER HA . 11105 1 1639 . 1 1 132 132 SER HB2 H 1 4.232 0.030 . 2 . . . . 132 SER HB2 . 11105 1 1640 . 1 1 132 132 SER HB3 H 1 4.048 0.030 . 2 . . . . 132 SER HB3 . 11105 1 1641 . 1 1 132 132 SER C C 13 174.449 0.300 . 1 . . . . 132 SER C . 11105 1 1642 . 1 1 132 132 SER CA C 13 58.283 0.300 . 1 . . . . 132 SER CA . 11105 1 1643 . 1 1 132 132 SER CB C 13 64.499 0.300 . 1 . . . . 132 SER CB . 11105 1 1644 . 1 1 132 132 SER N N 15 111.861 0.300 . 1 . . . . 132 SER N . 11105 1 1645 . 1 1 133 133 GLY H H 1 7.754 0.030 . 1 . . . . 133 GLY H . 11105 1 1646 . 1 1 133 133 GLY HA2 H 1 4.292 0.030 . 2 . . . . 133 GLY HA2 . 11105 1 1647 . 1 1 133 133 GLY HA3 H 1 4.111 0.030 . 2 . . . . 133 GLY HA3 . 11105 1 1648 . 1 1 133 133 GLY C C 13 171.905 0.300 . 1 . . . . 133 GLY C . 11105 1 1649 . 1 1 133 133 GLY CA C 13 45.165 0.300 . 1 . . . . 133 GLY CA . 11105 1 1650 . 1 1 133 133 GLY N N 15 110.548 0.300 . 1 . . . . 133 GLY N . 11105 1 1651 . 1 1 134 134 PRO HA H 1 4.525 0.030 . 1 . . . . 134 PRO HA . 11105 1 1652 . 1 1 134 134 PRO HB2 H 1 2.316 0.030 . 2 . . . . 134 PRO HB2 . 11105 1 1653 . 1 1 134 134 PRO HB3 H 1 1.989 0.030 . 2 . . . . 134 PRO HB3 . 11105 1 1654 . 1 1 134 134 PRO HD2 H 1 3.679 0.030 . 1 . . . . 134 PRO HD2 . 11105 1 1655 . 1 1 134 134 PRO HD3 H 1 3.679 0.030 . 1 . . . . 134 PRO HD3 . 11105 1 1656 . 1 1 134 134 PRO HG2 H 1 2.043 0.030 . 1 . . . . 134 PRO HG2 . 11105 1 1657 . 1 1 134 134 PRO HG3 H 1 2.043 0.030 . 1 . . . . 134 PRO HG3 . 11105 1 1658 . 1 1 134 134 PRO C C 13 177.585 0.300 . 1 . . . . 134 PRO C . 11105 1 1659 . 1 1 134 134 PRO CA C 13 63.330 0.300 . 1 . . . . 134 PRO CA . 11105 1 1660 . 1 1 134 134 PRO CB C 13 32.229 0.300 . 1 . . . . 134 PRO CB . 11105 1 1661 . 1 1 134 134 PRO CD C 13 50.025 0.300 . 1 . . . . 134 PRO CD . 11105 1 1662 . 1 1 134 134 PRO CG C 13 27.268 0.300 . 1 . . . . 134 PRO CG . 11105 1 1663 . 1 1 135 135 SER H H 1 8.531 0.030 . 1 . . . . 135 SER H . 11105 1 1664 . 1 1 135 135 SER HA H 1 4.522 0.030 . 1 . . . . 135 SER HA . 11105 1 1665 . 1 1 135 135 SER HB2 H 1 3.907 0.030 . 2 . . . . 135 SER HB2 . 11105 1 1666 . 1 1 135 135 SER C C 13 174.810 0.300 . 1 . . . . 135 SER C . 11105 1 1667 . 1 1 135 135 SER CA C 13 58.473 0.300 . 1 . . . . 135 SER CA . 11105 1 1668 . 1 1 135 135 SER CB C 13 64.038 0.300 . 1 . . . . 135 SER CB . 11105 1 1669 . 1 1 135 135 SER N N 15 116.405 0.300 . 1 . . . . 135 SER N . 11105 1 1670 . 1 1 136 136 SER H H 1 8.374 0.030 . 1 . . . . 136 SER H . 11105 1 1671 . 1 1 136 136 SER C C 13 173.991 0.300 . 1 . . . . 136 SER C . 11105 1 1672 . 1 1 136 136 SER CA C 13 58.488 0.300 . 1 . . . . 136 SER CA . 11105 1 1673 . 1 1 136 136 SER CB C 13 64.091 0.300 . 1 . . . . 136 SER CB . 11105 1 1674 . 1 1 136 136 SER N N 15 118.062 0.300 . 1 . . . . 136 SER N . 11105 1 stop_ save_