data_18504 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18504 _Entry.Title ; pfsub2 solution NMR structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-06 _Entry.Accession_date 2012-06-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yanan HE . . . 18504 2 Yihong CHEN . . . 18504 3 Biao RUAN . . . 18504 4 David O'BROCHTA . . . 18504 5 Philip BRYAN . . . 18504 6 John ORBAN . . . 18504 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18504 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NMR structure of P. falciparum Sub2 inhibitor prodomain' . 18504 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18504 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 471 18504 '15N chemical shifts' 118 18504 '1H chemical shifts' 562 18504 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-20 2012-06-06 update BMRB 'update entry citation' 18504 1 . . 2012-10-01 2012-06-06 original author 'original release' 18504 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LU1 'BMRB Entry Tracking System' 18504 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18504 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23011838 _Citation.Full_citation . _Citation.Title 'Solution NMR structure of a sheddase inhibitor prodomain from the malarial parasite Plasmodium falciparum.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 80 _Citation.Journal_issue 12 _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 2810 _Citation.Page_last 2817 _Citation.Year 2012 _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 Yanan He . . . 18504 1 2 Yihong Chen . . . 18504 1 3 Natalia Oganesyan . . . 18504 1 4 Biao Ruan . . . 18504 1 5 David Bryan . . . 18504 1 6 Philip Orban . N. . 18504 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18504 _Assembly.ID 1 _Assembly.Name pfsub2 _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 pfsub2 1 $pfsub2 A . yes native no no . . . 18504 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pfsub2 _Entity.Sf_category entity _Entity.Sf_framecode pfsub2 _Entity.Entry_ID 18504 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name pfsub2 _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 ; TSNKKILLNVDKLVDQYLLN LKNNHTSKQELILVLKGELD LHSKNMKNVINNAKKNLEKY FKEHFKEFDKISYDISTPIN FLCIFIPTLFDMNNMDLLKQ ALLILHNDLHEYVENWSFSS TYHTYEADYIKEQDSVYDRS PKKKYIKAS ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10570.397 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LU1 . "Pfsub2 Solution Nmr Structure" . . . . . 100.00 149 100.00 100.00 2.93e-100 . . . . 18504 1 2 no EMBL CAB37326 . "subtilase [Plasmodium falciparum]" . . . . . 99.33 1342 99.32 100.00 2.51e-90 . . . . 18504 1 3 no EMBL CAB43592 . "subtilisin-like protease 2 [Plasmodium falciparum]" . . . . . 99.33 1337 97.30 99.32 1.38e-88 . . . . 18504 1 4 no EMBL CDO65172 . "subtilisin-like protease 2 [Plasmodium reichenowi]" . . . . . 99.33 1339 97.30 100.00 5.16e-89 . . . . 18504 1 5 no GB AAN35964 . "subtilisin-like protease 2 [Plasmodium falciparum 3D7]" . . . . . 99.33 1341 99.32 100.00 2.29e-90 . . . . 18504 1 6 no GB AAY33847 . "subtilisin-like protease [synthetic construct]" . . . . . 99.33 1342 99.32 100.00 2.51e-90 . . . . 18504 1 7 no GB ETW15317 . "hypothetical protein PFFVO_05611 [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]" . . . . . 99.33 1345 98.65 100.00 4.35e-90 . . . . 18504 1 8 no GB ETW30319 . "hypothetical protein PFFCH_02237 [Plasmodium falciparum FCH/4]" . . . . . 99.33 1332 99.32 100.00 2.20e-90 . . . . 18504 1 9 no GB ETW35903 . "hypothetical protein PFTANZ_03496 [Plasmodium falciparum Tanzania (2000708)]" . . . . . 99.33 1324 98.65 100.00 4.75e-90 . . . . 18504 1 10 no REF XP_001348051 . "subtilisin-like protease 2 [Plasmodium falciparum 3D7]" . . . . . 99.33 1341 99.32 100.00 2.29e-90 . . . . 18504 1 11 no REF XP_012763770 . "subtilisin-like protease 2 [Plasmodium reichenowi]" . . . . . 99.33 1339 97.30 100.00 5.16e-89 . . . . 18504 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 THR . 18504 1 2 2 SER . 18504 1 3 3 ASN . 18504 1 4 4 LYS . 18504 1 5 5 LYS . 18504 1 6 6 ILE . 18504 1 7 7 LEU . 18504 1 8 8 LEU . 18504 1 9 9 ASN . 18504 1 10 10 VAL . 18504 1 11 11 ASP . 18504 1 12 12 LYS . 18504 1 13 13 LEU . 18504 1 14 14 VAL . 18504 1 15 15 ASP . 18504 1 16 16 GLN . 18504 1 17 17 TYR . 18504 1 18 18 LEU . 18504 1 19 19 LEU . 18504 1 20 20 ASN . 18504 1 21 21 LEU . 18504 1 22 22 LYS . 18504 1 23 23 ASN . 18504 1 24 24 ASN . 18504 1 25 25 HIS . 18504 1 26 26 THR . 18504 1 27 27 SER . 18504 1 28 28 LYS . 18504 1 29 29 GLN . 18504 1 30 30 GLU . 18504 1 31 31 LEU . 18504 1 32 32 ILE . 18504 1 33 33 LEU . 18504 1 34 34 VAL . 18504 1 35 35 LEU . 18504 1 36 36 LYS . 18504 1 37 37 GLY . 18504 1 38 38 GLU . 18504 1 39 39 LEU . 18504 1 40 40 ASP . 18504 1 41 41 LEU . 18504 1 42 42 HIS . 18504 1 43 43 SER . 18504 1 44 44 LYS . 18504 1 45 45 ASN . 18504 1 46 46 MET . 18504 1 47 47 LYS . 18504 1 48 48 ASN . 18504 1 49 49 VAL . 18504 1 50 50 ILE . 18504 1 51 51 ASN . 18504 1 52 52 ASN . 18504 1 53 53 ALA . 18504 1 54 54 LYS . 18504 1 55 55 LYS . 18504 1 56 56 ASN . 18504 1 57 57 LEU . 18504 1 58 58 GLU . 18504 1 59 59 LYS . 18504 1 60 60 TYR . 18504 1 61 61 PHE . 18504 1 62 62 LYS . 18504 1 63 63 GLU . 18504 1 64 64 HIS . 18504 1 65 65 PHE . 18504 1 66 66 LYS . 18504 1 67 67 GLU . 18504 1 68 68 PHE . 18504 1 69 69 ASP . 18504 1 70 70 LYS . 18504 1 71 71 ILE . 18504 1 72 72 SER . 18504 1 73 73 TYR . 18504 1 74 74 ASP . 18504 1 75 75 ILE . 18504 1 76 76 SER . 18504 1 77 77 THR . 18504 1 78 78 PRO . 18504 1 79 79 ILE . 18504 1 80 80 ASN . 18504 1 81 81 PHE . 18504 1 82 82 LEU . 18504 1 83 83 CYS . 18504 1 84 84 ILE . 18504 1 85 85 PHE . 18504 1 86 86 ILE . 18504 1 87 87 PRO . 18504 1 88 88 THR . 18504 1 89 89 LEU . 18504 1 90 90 PHE . 18504 1 91 91 ASP . 18504 1 92 92 MET . 18504 1 93 93 ASN . 18504 1 94 94 ASN . 18504 1 95 95 MET . 18504 1 96 96 ASP . 18504 1 97 97 LEU . 18504 1 98 98 LEU . 18504 1 99 99 LYS . 18504 1 100 100 GLN . 18504 1 101 101 ALA . 18504 1 102 102 LEU . 18504 1 103 103 LEU . 18504 1 104 104 ILE . 18504 1 105 105 LEU . 18504 1 106 106 HIS . 18504 1 107 107 ASN . 18504 1 108 108 ASP . 18504 1 109 109 LEU . 18504 1 110 110 HIS . 18504 1 111 111 GLU . 18504 1 112 112 TYR . 18504 1 113 113 VAL . 18504 1 114 114 GLU . 18504 1 115 115 ASN . 18504 1 116 116 TRP . 18504 1 117 117 SER . 18504 1 118 118 PHE . 18504 1 119 119 SER . 18504 1 120 120 SER . 18504 1 121 121 THR . 18504 1 122 122 TYR . 18504 1 123 123 HIS . 18504 1 124 124 THR . 18504 1 125 125 TYR . 18504 1 126 126 GLU . 18504 1 127 127 ALA . 18504 1 128 128 ASP . 18504 1 129 129 TYR . 18504 1 130 130 ILE . 18504 1 131 131 LYS . 18504 1 132 132 GLU . 18504 1 133 133 GLN . 18504 1 134 134 ASP . 18504 1 135 135 SER . 18504 1 136 136 VAL . 18504 1 137 137 TYR . 18504 1 138 138 ASP . 18504 1 139 139 ARG . 18504 1 140 140 SER . 18504 1 141 141 PRO . 18504 1 142 142 LYS . 18504 1 143 143 LYS . 18504 1 144 144 LYS . 18504 1 145 145 TYR . 18504 1 146 146 ILE . 18504 1 147 147 LYS . 18504 1 148 148 ALA . 18504 1 149 149 SER . 18504 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 . THR 1 1 18504 1 . SER 2 2 18504 1 . ASN 3 3 18504 1 . LYS 4 4 18504 1 . LYS 5 5 18504 1 . ILE 6 6 18504 1 . LEU 7 7 18504 1 . LEU 8 8 18504 1 . ASN 9 9 18504 1 . VAL 10 10 18504 1 . ASP 11 11 18504 1 . LYS 12 12 18504 1 . LEU 13 13 18504 1 . VAL 14 14 18504 1 . ASP 15 15 18504 1 . GLN 16 16 18504 1 . TYR 17 17 18504 1 . LEU 18 18 18504 1 . LEU 19 19 18504 1 . ASN 20 20 18504 1 . LEU 21 21 18504 1 . LYS 22 22 18504 1 . ASN 23 23 18504 1 . ASN 24 24 18504 1 . HIS 25 25 18504 1 . THR 26 26 18504 1 . SER 27 27 18504 1 . LYS 28 28 18504 1 . GLN 29 29 18504 1 . GLU 30 30 18504 1 . LEU 31 31 18504 1 . ILE 32 32 18504 1 . LEU 33 33 18504 1 . VAL 34 34 18504 1 . LEU 35 35 18504 1 . LYS 36 36 18504 1 . GLY 37 37 18504 1 . GLU 38 38 18504 1 . LEU 39 39 18504 1 . ASP 40 40 18504 1 . LEU 41 41 18504 1 . HIS 42 42 18504 1 . SER 43 43 18504 1 . LYS 44 44 18504 1 . ASN 45 45 18504 1 . MET 46 46 18504 1 . LYS 47 47 18504 1 . ASN 48 48 18504 1 . VAL 49 49 18504 1 . ILE 50 50 18504 1 . ASN 51 51 18504 1 . ASN 52 52 18504 1 . ALA 53 53 18504 1 . LYS 54 54 18504 1 . LYS 55 55 18504 1 . ASN 56 56 18504 1 . LEU 57 57 18504 1 . GLU 58 58 18504 1 . LYS 59 59 18504 1 . TYR 60 60 18504 1 . PHE 61 61 18504 1 . LYS 62 62 18504 1 . GLU 63 63 18504 1 . HIS 64 64 18504 1 . PHE 65 65 18504 1 . LYS 66 66 18504 1 . GLU 67 67 18504 1 . PHE 68 68 18504 1 . ASP 69 69 18504 1 . LYS 70 70 18504 1 . ILE 71 71 18504 1 . SER 72 72 18504 1 . TYR 73 73 18504 1 . ASP 74 74 18504 1 . ILE 75 75 18504 1 . SER 76 76 18504 1 . THR 77 77 18504 1 . PRO 78 78 18504 1 . ILE 79 79 18504 1 . ASN 80 80 18504 1 . PHE 81 81 18504 1 . LEU 82 82 18504 1 . CYS 83 83 18504 1 . ILE 84 84 18504 1 . PHE 85 85 18504 1 . ILE 86 86 18504 1 . PRO 87 87 18504 1 . THR 88 88 18504 1 . LEU 89 89 18504 1 . PHE 90 90 18504 1 . ASP 91 91 18504 1 . MET 92 92 18504 1 . ASN 93 93 18504 1 . ASN 94 94 18504 1 . MET 95 95 18504 1 . ASP 96 96 18504 1 . LEU 97 97 18504 1 . LEU 98 98 18504 1 . LYS 99 99 18504 1 . GLN 100 100 18504 1 . ALA 101 101 18504 1 . LEU 102 102 18504 1 . LEU 103 103 18504 1 . ILE 104 104 18504 1 . LEU 105 105 18504 1 . HIS 106 106 18504 1 . ASN 107 107 18504 1 . ASP 108 108 18504 1 . LEU 109 109 18504 1 . HIS 110 110 18504 1 . GLU 111 111 18504 1 . TYR 112 112 18504 1 . VAL 113 113 18504 1 . GLU 114 114 18504 1 . ASN 115 115 18504 1 . TRP 116 116 18504 1 . SER 117 117 18504 1 . PHE 118 118 18504 1 . SER 119 119 18504 1 . SER 120 120 18504 1 . THR 121 121 18504 1 . TYR 122 122 18504 1 . HIS 123 123 18504 1 . THR 124 124 18504 1 . TYR 125 125 18504 1 . GLU 126 126 18504 1 . ALA 127 127 18504 1 . ASP 128 128 18504 1 . TYR 129 129 18504 1 . ILE 130 130 18504 1 . LYS 131 131 18504 1 . GLU 132 132 18504 1 . GLN 133 133 18504 1 . ASP 134 134 18504 1 . SER 135 135 18504 1 . VAL 136 136 18504 1 . TYR 137 137 18504 1 . ASP 138 138 18504 1 . ARG 139 139 18504 1 . SER 140 140 18504 1 . PRO 141 141 18504 1 . LYS 142 142 18504 1 . LYS 143 143 18504 1 . LYS 144 144 18504 1 . TYR 145 145 18504 1 . ILE 146 146 18504 1 . LYS 147 147 18504 1 . ALA 148 148 18504 1 . SER 149 149 18504 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 18504 _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 $pfsub2 . 5833 organism . 'Plasmodium falciparum' 'Malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . . . . . . . . . 18504 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 18504 _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 $pfsub2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pPal7 . . . . . . 18504 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18504 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 pfsub2 '[U-13C; U-15N]' . . 1 $pfsub2 . . . 0.3 0.4 mM . . . . 18504 1 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18504 1 3 'sodium azide' 'natural abundance' . . . . . . 10 . . mM . . . . 18504 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18504 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18504 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18504 _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' 0.1 . M 18504 1 pH 7 . pH 18504 1 pressure 1 . atm 18504 1 temperature 273 . K 18504 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18504 _Software.ID 1 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 18504 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18504 1 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 18504 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18504 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'with cryoprobe' . . 18504 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 18504 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18504 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18504 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18504 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18504 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18504 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18504 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18504 1 2 '3D CBCA(CO)NH' . . . 18504 1 3 '3D C(CO)NH' . . . 18504 1 4 '3D HNCO' . . . 18504 1 5 '3D HNCACB' . . . 18504 1 6 '3D HBHA(CO)NH' . . . 18504 1 7 '3D 1H-15N NOESY' . . . 18504 1 8 '3D 1H-13C NOESY aliphatic' . . . 18504 1 9 '3D 1H-13C NOESY aromatic' . . . 18504 1 10 '3D H(CCO)NH' . . . 18504 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 4 4 LYS C C 13 176.016 0.5 . 1 . . . . 4 LYS C . 18504 1 2 . 1 1 4 4 LYS CA C 13 56.809 0.5 . 1 . . . . 4 LYS CA . 18504 1 3 . 1 1 4 4 LYS CB C 13 32.045 0.5 . 1 . . . . 4 LYS CB . 18504 1 4 . 1 1 5 5 LYS H H 1 7.829 0.05 . 1 . . . . 5 LYS HN . 18504 1 5 . 1 1 5 5 LYS HA H 1 4.253 0.05 . 1 . . . . 5 LYS HA . 18504 1 6 . 1 1 5 5 LYS HB3 H 1 2.195 0.05 . 2 . . . . 5 LYS HB3 . 18504 1 7 . 1 1 5 5 LYS C C 13 177.862 0.5 . 1 . . . . 5 LYS C . 18504 1 8 . 1 1 5 5 LYS CA C 13 57.862 0.5 . 1 . . . . 5 LYS CA . 18504 1 9 . 1 1 5 5 LYS CB C 13 31.6 0.5 . 1 . . . . 5 LYS CB . 18504 1 10 . 1 1 5 5 LYS N N 15 126.4 0.5 . 1 . . . . 5 LYS N . 18504 1 11 . 1 1 6 6 ILE H H 1 9.012 0.05 . 1 . . . . 6 ILE HN . 18504 1 12 . 1 1 6 6 ILE HA H 1 4.255 0.05 . 1 . . . . 6 ILE HA . 18504 1 13 . 1 1 6 6 ILE HB H 1 2.63 0.05 . 1 . . . . 6 ILE HB . 18504 1 14 . 1 1 6 6 ILE C C 13 178.826 0.5 . 1 . . . . 6 ILE C . 18504 1 15 . 1 1 6 6 ILE CA C 13 57.81 0.5 . 1 . . . . 6 ILE CA . 18504 1 16 . 1 1 6 6 ILE CB C 13 39.896 0.5 . 1 . . . . 6 ILE CB . 18504 1 17 . 1 1 6 6 ILE N N 15 119.896 0.5 . 1 . . . . 6 ILE N . 18504 1 18 . 1 1 7 7 LEU H H 1 8.104 0.05 . 1 . . . . 7 LEU HN . 18504 1 19 . 1 1 7 7 LEU HA H 1 4.226 0.05 . 1 . . . . 7 LEU HA . 18504 1 20 . 1 1 7 7 LEU HB2 H 1 2.341 0.05 . 2 . . . . 7 LEU HB2 . 18504 1 21 . 1 1 7 7 LEU HB3 H 1 1.54 0.05 . 2 . . . . 7 LEU HB3 . 18504 1 22 . 1 1 7 7 LEU HG H 1 1.786 0.05 . 1 . . . . 7 LEU HG . 18504 1 23 . 1 1 7 7 LEU C C 13 179.872 0.5 . 1 . . . . 7 LEU C . 18504 1 24 . 1 1 7 7 LEU CA C 13 57.02 0.5 . 1 . . . . 7 LEU CA . 18504 1 25 . 1 1 7 7 LEU CB C 13 41.632 0.5 . 1 . . . . 7 LEU CB . 18504 1 26 . 1 1 7 7 LEU N N 15 117.909 0.5 . 1 . . . . 7 LEU N . 18504 1 27 . 1 1 8 8 LEU H H 1 6.781 0.05 . 1 . . . . 8 LEU HN . 18504 1 28 . 1 1 8 8 LEU HA H 1 3.329 0.05 . 1 . . . . 8 LEU HA . 18504 1 29 . 1 1 8 8 LEU HB2 H 1 1.448 0.05 . 1 . . . . 8 LEU HB2 . 18504 1 30 . 1 1 8 8 LEU HB3 H 1 1.448 0.05 . 1 . . . . 8 LEU HB3 . 18504 1 31 . 1 1 8 8 LEU CA C 13 56.945 0.5 . 1 . . . . 8 LEU CA . 18504 1 32 . 1 1 8 8 LEU CB C 13 38.951 0.5 . 1 . . . . 8 LEU CB . 18504 1 33 . 1 1 8 8 LEU N N 15 121.284 0.5 . 1 . . . . 8 LEU N . 18504 1 34 . 1 1 9 9 ASN HA H 1 4.266 0.05 . 1 . . . . 9 ASN HA . 18504 1 35 . 1 1 9 9 ASN HB2 H 1 3.176 0.05 . 1 . . . . 9 ASN HB2 . 18504 1 36 . 1 1 9 9 ASN HB3 H 1 3.176 0.05 . 1 . . . . 9 ASN HB3 . 18504 1 37 . 1 1 9 9 ASN C C 13 179.215 0.5 . 1 . . . . 9 ASN C . 18504 1 38 . 1 1 9 9 ASN CA C 13 58.507 0.5 . 1 . . . . 9 ASN CA . 18504 1 39 . 1 1 9 9 ASN CB C 13 42.115 0.5 . 1 . . . . 9 ASN CB . 18504 1 40 . 1 1 10 10 VAL H H 1 8.014 0.05 . 1 . . . . 10 VAL HN . 18504 1 41 . 1 1 10 10 VAL HA H 1 4.041 0.05 . 1 . . . . 10 VAL HA . 18504 1 42 . 1 1 10 10 VAL C C 13 177.523 0.5 . 1 . . . . 10 VAL C . 18504 1 43 . 1 1 10 10 VAL CA C 13 67.407 0.5 . 1 . . . . 10 VAL CA . 18504 1 44 . 1 1 10 10 VAL CB C 13 30.875 0.5 . 1 . . . . 10 VAL CB . 18504 1 45 . 1 1 10 10 VAL N N 15 119.438 0.5 . 1 . . . . 10 VAL N . 18504 1 46 . 1 1 11 11 ASP H H 1 7.738 0.05 . 1 . . . . 11 ASP HN . 18504 1 47 . 1 1 11 11 ASP C C 13 178.742 0.5 . 1 . . . . 11 ASP C . 18504 1 48 . 1 1 11 11 ASP CA C 13 58.228 0.5 . 1 . . . . 11 ASP CA . 18504 1 49 . 1 1 11 11 ASP CB C 13 40.226 0.5 . 1 . . . . 11 ASP CB . 18504 1 50 . 1 1 11 11 ASP N N 15 118.82 0.5 . 1 . . . . 11 ASP N . 18504 1 51 . 1 1 12 12 LYS H H 1 7.62 0.05 . 1 . . . . 12 LYS HN . 18504 1 52 . 1 1 12 12 LYS HA H 1 4.133 0.05 . 1 . . . . 12 LYS HA . 18504 1 53 . 1 1 12 12 LYS HB2 H 1 1.942 0.05 . 1 . . . . 12 LYS HB2 . 18504 1 54 . 1 1 12 12 LYS HB3 H 1 1.942 0.05 . 1 . . . . 12 LYS HB3 . 18504 1 55 . 1 1 12 12 LYS CA C 13 58.504 0.5 . 1 . . . . 12 LYS CA . 18504 1 56 . 1 1 12 12 LYS CB C 13 31.871 0.5 . 1 . . . . 12 LYS CB . 18504 1 57 . 1 1 12 12 LYS N N 15 118.846 0.5 . 1 . . . . 12 LYS N . 18504 1 58 . 1 1 14 14 VAL HA H 1 4.059 0.05 . 1 . . . . 14 VAL HA . 18504 1 59 . 1 1 14 14 VAL HB H 1 1.843 0.05 . 1 . . . . 14 VAL HB . 18504 1 60 . 1 1 14 14 VAL C C 13 175.786 0.5 . 1 . . . . 14 VAL C . 18504 1 61 . 1 1 14 14 VAL CA C 13 62.956 0.5 . 1 . . . . 14 VAL CA . 18504 1 62 . 1 1 14 14 VAL CB C 13 31.928 0.5 . 1 . . . . 14 VAL CB . 18504 1 63 . 1 1 15 15 ASP H H 1 8.817 0.05 . 1 . . . . 15 ASP HN . 18504 1 64 . 1 1 15 15 ASP HA H 1 4.089 0.05 . 1 . . . . 15 ASP HA . 18504 1 65 . 1 1 15 15 ASP C C 13 174.704 0.5 . 1 . . . . 15 ASP C . 18504 1 66 . 1 1 15 15 ASP CA C 13 54.261 0.5 . 1 . . . . 15 ASP CA . 18504 1 67 . 1 1 15 15 ASP CB C 13 42.402 0.5 . 1 . . . . 15 ASP CB . 18504 1 68 . 1 1 15 15 ASP N N 15 129.019 0.5 . 1 . . . . 15 ASP N . 18504 1 69 . 1 1 16 16 GLN H H 1 8.698 0.05 . 1 . . . . 16 GLN HN . 18504 1 70 . 1 1 16 16 GLN HA H 1 4.266 0.05 . 1 . . . . 16 GLN HA . 18504 1 71 . 1 1 16 16 GLN HB2 H 1 2.059 0.05 . 1 . . . . 16 GLN HB2 . 18504 1 72 . 1 1 16 16 GLN HB3 H 1 2.059 0.05 . 1 . . . . 16 GLN HB3 . 18504 1 73 . 1 1 16 16 GLN C C 13 176.596 0.5 . 1 . . . . 16 GLN C . 18504 1 74 . 1 1 16 16 GLN CA C 13 57.335 0.5 . 1 . . . . 16 GLN CA . 18504 1 75 . 1 1 16 16 GLN CB C 13 28.684 0.5 . 1 . . . . 16 GLN CB . 18504 1 76 . 1 1 16 16 GLN N N 15 116.557 0.5 . 1 . . . . 16 GLN N . 18504 1 77 . 1 1 17 17 TYR H H 1 7.336 0.05 . 1 . . . . 17 TYR HN . 18504 1 78 . 1 1 17 17 TYR HA H 1 4.274 0.05 . 1 . . . . 17 TYR HA . 18504 1 79 . 1 1 17 17 TYR HB2 H 1 1.728 0.05 . 1 . . . . 17 TYR HB2 . 18504 1 80 . 1 1 17 17 TYR HB3 H 1 1.728 0.05 . 1 . . . . 17 TYR HB3 . 18504 1 81 . 1 1 17 17 TYR CA C 13 54.415 0.5 . 1 . . . . 17 TYR CA . 18504 1 82 . 1 1 17 17 TYR CB C 13 42.964 0.5 . 1 . . . . 17 TYR CB . 18504 1 83 . 1 1 17 17 TYR N N 15 119.909 0.5 . 1 . . . . 17 TYR N . 18504 1 84 . 1 1 20 20 ASN HA H 1 4.025 0.05 . 1 . . . . 20 ASN HA . 18504 1 85 . 1 1 20 20 ASN HB2 H 1 2.861 0.05 . 2 . . . . 20 ASN HB2 . 18504 1 86 . 1 1 20 20 ASN HB3 H 1 2.558 0.05 . 2 . . . . 20 ASN HB3 . 18504 1 87 . 1 1 20 20 ASN C C 13 177.974 0.5 . 1 . . . . 20 ASN C . 18504 1 88 . 1 1 20 20 ASN CA C 13 55.345 0.5 . 1 . . . . 20 ASN CA . 18504 1 89 . 1 1 20 20 ASN CB C 13 38.017 0.5 . 1 . . . . 20 ASN CB . 18504 1 90 . 1 1 21 21 LEU H H 1 7.664 0.05 . 1 . . . . 21 LEU HN . 18504 1 91 . 1 1 21 21 LEU HA H 1 3.856 0.05 . 1 . . . . 21 LEU HA . 18504 1 92 . 1 1 21 21 LEU HB2 H 1 1.629 0.05 . 2 . . . . 21 LEU HB2 . 18504 1 93 . 1 1 21 21 LEU HB3 H 1 1.353 0.05 . 2 . . . . 21 LEU HB3 . 18504 1 94 . 1 1 21 21 LEU HD11 H 1 0.82 0.05 . 2 . . . . 21 LEU HD1 . 18504 1 95 . 1 1 21 21 LEU HD12 H 1 0.82 0.05 . 2 . . . . 21 LEU HD1 . 18504 1 96 . 1 1 21 21 LEU HD13 H 1 0.82 0.05 . 2 . . . . 21 LEU HD1 . 18504 1 97 . 1 1 21 21 LEU C C 13 178.296 0.5 . 1 . . . . 21 LEU C . 18504 1 98 . 1 1 21 21 LEU CA C 13 56.794 0.5 . 1 . . . . 21 LEU CA . 18504 1 99 . 1 1 21 21 LEU CB C 13 42.665 0.5 . 1 . . . . 21 LEU CB . 18504 1 100 . 1 1 21 21 LEU CG C 13 30.33 0.5 . 1 . . . . 21 LEU CG . 18504 1 101 . 1 1 21 21 LEU CD1 C 13 24.534 0.5 . 1 . . . . 21 LEU CD1 . 18504 1 102 . 1 1 21 21 LEU N N 15 120.035 0.5 . 1 . . . . 21 LEU N . 18504 1 103 . 1 1 22 22 LYS H H 1 7.521 0.05 . 1 . . . . 22 LYS HN . 18504 1 104 . 1 1 22 22 LYS HA H 1 4.279 0.05 . 1 . . . . 22 LYS HA . 18504 1 105 . 1 1 22 22 LYS HB2 H 1 1.897 0.05 . 1 . . . . 22 LYS HB2 . 18504 1 106 . 1 1 22 22 LYS HB3 H 1 1.897 0.05 . 1 . . . . 22 LYS HB3 . 18504 1 107 . 1 1 22 22 LYS C C 13 176.886 0.5 . 1 . . . . 22 LYS C . 18504 1 108 . 1 1 22 22 LYS CA C 13 57.979 0.5 . 1 . . . . 22 LYS CA . 18504 1 109 . 1 1 22 22 LYS CB C 13 32.526 0.5 . 1 . . . . 22 LYS CB . 18504 1 110 . 1 1 22 22 LYS CG C 13 25.003 0.5 . 1 . . . . 22 LYS CG . 18504 1 111 . 1 1 22 22 LYS CD C 13 29.979 0.5 . 1 . . . . 22 LYS CD . 18504 1 112 . 1 1 22 22 LYS CE C 13 41.922 0.5 . 1 . . . . 22 LYS CE . 18504 1 113 . 1 1 22 22 LYS N N 15 116.504 0.5 . 1 . . . . 22 LYS N . 18504 1 114 . 1 1 23 23 ASN H H 1 7.622 0.05 . 1 . . . . 23 ASN HN . 18504 1 115 . 1 1 23 23 ASN HA H 1 4.824 0.05 . 1 . . . . 23 ASN HA . 18504 1 116 . 1 1 23 23 ASN HB2 H 1 2.89 0.05 . 2 . . . . 23 ASN HB2 . 18504 1 117 . 1 1 23 23 ASN HB3 H 1 2.659 0.05 . 2 . . . . 23 ASN HB3 . 18504 1 118 . 1 1 23 23 ASN C C 13 173.946 0.5 . 1 . . . . 23 ASN C . 18504 1 119 . 1 1 23 23 ASN CA C 13 53.633 0.5 . 1 . . . . 23 ASN CA . 18504 1 120 . 1 1 23 23 ASN CB C 13 39.308 0.5 . 1 . . . . 23 ASN CB . 18504 1 121 . 1 1 23 23 ASN N N 15 116.609 0.5 . 1 . . . . 23 ASN N . 18504 1 122 . 1 1 24 24 ASN H H 1 7.581 0.05 . 1 . . . . 24 ASN HN . 18504 1 123 . 1 1 24 24 ASN HA H 1 4.373 0.05 . 1 . . . . 24 ASN HA . 18504 1 124 . 1 1 24 24 ASN HB2 H 1 2.713 0.05 . 1 . . . . 24 ASN HB2 . 18504 1 125 . 1 1 24 24 ASN HB3 H 1 2.713 0.05 . 1 . . . . 24 ASN HB3 . 18504 1 126 . 1 1 24 24 ASN C C 13 179.456 0.5 . 1 . . . . 24 ASN C . 18504 1 127 . 1 1 24 24 ASN CA C 13 55.525 0.5 . 1 . . . . 24 ASN CA . 18504 1 128 . 1 1 24 24 ASN CB C 13 40.811 0.5 . 1 . . . . 24 ASN CB . 18504 1 129 . 1 1 24 24 ASN N N 15 123.849 0.5 . 1 . . . . 24 ASN N . 18504 1 130 . 1 1 25 25 HIS H H 1 8.401 0.05 . 1 . . . . 25 HIS HN . 18504 1 131 . 1 1 25 25 HIS HA H 1 4.413 0.05 . 1 . . . . 25 HIS HA . 18504 1 132 . 1 1 25 25 HIS C C 13 175.574 0.5 . 1 . . . . 25 HIS C . 18504 1 133 . 1 1 25 25 HIS CA C 13 57.687 0.5 . 1 . . . . 25 HIS CA . 18504 1 134 . 1 1 25 25 HIS CB C 13 29.879 0.5 . 1 . . . . 25 HIS CB . 18504 1 135 . 1 1 25 25 HIS N N 15 123.95 0.5 . 1 . . . . 25 HIS N . 18504 1 136 . 1 1 26 26 THR H H 1 7.497 0.05 . 1 . . . A 26 THR H . 18504 1 137 . 1 1 26 26 THR HA H 1 4.814 0.05 . 1 . . . A 26 THR HA . 18504 1 138 . 1 1 26 26 THR HG21 H 1 1.874 0.05 . 1 . . . A 26 THR HG# . 18504 1 139 . 1 1 26 26 THR HG22 H 1 1.874 0.05 . 1 . . . A 26 THR HG# . 18504 1 140 . 1 1 26 26 THR HG23 H 1 1.874 0.05 . 1 . . . A 26 THR HG# . 18504 1 141 . 1 1 26 26 THR CA C 13 60.446 0.5 . 1 . . . A 26 THR CA . 18504 1 142 . 1 1 26 26 THR CB C 13 71.335 0.5 . 1 . . . A 26 THR CB . 18504 1 143 . 1 1 26 26 THR N N 15 114.968 0.5 . 1 . . . A 26 THR N . 18504 1 144 . 1 1 27 27 SER HA H 1 4.339 0.05 . 1 . . . A 27 SER HA . 18504 1 145 . 1 1 27 27 SER HB2 H 1 4.01 0.05 . 1 . . . A 27 SER HB2 . 18504 1 146 . 1 1 27 27 SER HB3 H 1 4.01 0.05 . 1 . . . A 27 SER HB3 . 18504 1 147 . 1 1 27 27 SER C C 13 175.743 0.5 . 1 . . . A 27 SER C . 18504 1 148 . 1 1 27 27 SER CA C 13 60.497 0.5 . 1 . . . A 27 SER CA . 18504 1 149 . 1 1 27 27 SER CB C 13 63.659 0.5 . 1 . . . A 27 SER CB . 18504 1 150 . 1 1 28 28 LYS H H 1 7.785 0.05 . 1 . . . A 28 LYS H . 18504 1 151 . 1 1 28 28 LYS HA H 1 5.218 0.05 . 1 . . . A 28 LYS HA . 18504 1 152 . 1 1 28 28 LYS HB2 H 1 1.787 0.05 . 1 . . . A 28 LYS HB2 . 18504 1 153 . 1 1 28 28 LYS HB3 H 1 1.787 0.05 . 1 . . . A 28 LYS HB3 . 18504 1 154 . 1 1 28 28 LYS C C 13 175.699 0.5 . 1 . . . A 28 LYS C . 18504 1 155 . 1 1 28 28 LYS CA C 13 55.545 0.5 . 1 . . . A 28 LYS CA . 18504 1 156 . 1 1 28 28 LYS CB C 13 35.913 0.5 . 1 . . . A 28 LYS CB . 18504 1 157 . 1 1 28 28 LYS CG C 13 24.593 0.5 . 1 . . . A 28 LYS CG . 18504 1 158 . 1 1 28 28 LYS CE C 13 42.566 0.5 . 1 . . . A 28 LYS CE . 18504 1 159 . 1 1 28 28 LYS N N 15 118.099 0.5 . 1 . . . A 28 LYS N . 18504 1 160 . 1 1 29 29 GLN H H 1 9.283 0.05 . 1 . . . A 29 GLN H . 18504 1 161 . 1 1 29 29 GLN HA H 1 4.738 0.05 . 1 . . . A 29 GLN HA . 18504 1 162 . 1 1 29 29 GLN HB2 H 1 2.499 0.05 . 2 . . . A 29 GLN HB2 . 18504 1 163 . 1 1 29 29 GLN HB3 H 1 1.753 0.05 . 2 . . . A 29 GLN HB3 . 18504 1 164 . 1 1 29 29 GLN C C 13 174.277 0.5 . 1 . . . A 29 GLN C . 18504 1 165 . 1 1 29 29 GLN CA C 13 55.525 0.5 . 1 . . . A 29 GLN CA . 18504 1 166 . 1 1 29 29 GLN CB C 13 32.87 0.5 . 1 . . . A 29 GLN CB . 18504 1 167 . 1 1 29 29 GLN N N 15 122.481 0.5 . 1 . . . A 29 GLN N . 18504 1 168 . 1 1 30 30 GLU H H 1 9.188 0.05 . 1 . . . A 30 GLU H . 18504 1 169 . 1 1 30 30 GLU HA H 1 4.276 0.05 . 1 . . . A 30 GLU HA . 18504 1 170 . 1 1 30 30 GLU HB2 H 1 1.879 0.05 . 1 . . . A 30 GLU HB2 . 18504 1 171 . 1 1 30 30 GLU HB3 H 1 1.879 0.05 . 1 . . . A 30 GLU HB3 . 18504 1 172 . 1 1 30 30 GLU C C 13 173.313 0.5 . 1 . . . A 30 GLU C . 18504 1 173 . 1 1 30 30 GLU CA C 13 55.954 0.5 . 1 . . . A 30 GLU CA . 18504 1 174 . 1 1 30 30 GLU CB C 13 31.054 0.5 . 1 . . . A 30 GLU CB . 18504 1 175 . 1 1 30 30 GLU CG C 13 36.009 0.5 . 1 . . . A 30 GLU CG . 18504 1 176 . 1 1 30 30 GLU N N 15 122.881 0.5 . 1 . . . A 30 GLU N . 18504 1 177 . 1 1 31 31 LEU H H 1 9.016 0.05 . 1 . . . A 31 LEU H . 18504 1 178 . 1 1 31 31 LEU HA H 1 4.293 0.05 . 1 . . . A 31 LEU HA . 18504 1 179 . 1 1 31 31 LEU HB2 H 1 1.849 0.05 . 1 . . . A 31 LEU HB2 . 18504 1 180 . 1 1 31 31 LEU HB3 H 1 1.849 0.05 . 1 . . . A 31 LEU HB3 . 18504 1 181 . 1 1 31 31 LEU HD11 H 1 0.904 0.05 . 2 . . . A 31 LEU HD1 . 18504 1 182 . 1 1 31 31 LEU HD12 H 1 0.904 0.05 . 2 . . . A 31 LEU HD1 . 18504 1 183 . 1 1 31 31 LEU HD13 H 1 0.904 0.05 . 2 . . . A 31 LEU HD1 . 18504 1 184 . 1 1 31 31 LEU C C 13 171.909 0.5 . 1 . . . A 31 LEU C . 18504 1 185 . 1 1 31 31 LEU CA C 13 53.281 0.5 . 1 . . . A 31 LEU CA . 18504 1 186 . 1 1 31 31 LEU CB C 13 42.45 0.5 . 1 . . . A 31 LEU CB . 18504 1 187 . 1 1 31 31 LEU N N 15 130.328 0.5 . 1 . . . A 31 LEU N . 18504 1 188 . 1 1 32 32 ILE H H 1 8.738 0.05 . 1 . . . A 32 ILE H . 18504 1 189 . 1 1 32 32 ILE HA H 1 5.528 0.05 . 1 . . . A 32 ILE HA . 18504 1 190 . 1 1 32 32 ILE HD11 H 1 0.655 0.05 . 1 . . . A 32 ILE HD1 . 18504 1 191 . 1 1 32 32 ILE HD12 H 1 0.655 0.05 . 1 . . . A 32 ILE HD1 . 18504 1 192 . 1 1 32 32 ILE HD13 H 1 0.655 0.05 . 1 . . . A 32 ILE HD1 . 18504 1 193 . 1 1 32 32 ILE C C 13 175.735 0.5 . 1 . . . A 32 ILE C . 18504 1 194 . 1 1 32 32 ILE CA C 13 59.224 0.5 . 1 . . . A 32 ILE CA . 18504 1 195 . 1 1 32 32 ILE CB C 13 36.625 0.5 . 1 . . . A 32 ILE CB . 18504 1 196 . 1 1 32 32 ILE N N 15 120.632 0.5 . 1 . . . A 32 ILE N . 18504 1 197 . 1 1 33 33 LEU HA H 1 3.997 0.05 . 1 . . . A 33 LEU HA . 18504 1 198 . 1 1 33 33 LEU HB2 H 1 1.913 0.05 . 2 . . . A 33 LEU HB2 . 18504 1 199 . 1 1 33 33 LEU HB3 H 1 1.485 0.05 . 2 . . . A 33 LEU HB3 . 18504 1 200 . 1 1 33 33 LEU C C 13 180.03 0.5 . 1 . . . A 33 LEU C . 18504 1 201 . 1 1 33 33 LEU CA C 13 58.333 0.5 . 1 . . . A 33 LEU CA . 18504 1 202 . 1 1 33 33 LEU CB C 13 41.433 0.5 . 1 . . . A 33 LEU CB . 18504 1 203 . 1 1 33 33 LEU CG C 13 25.12 0.5 . 1 . . . A 33 LEU CG . 18504 1 204 . 1 1 33 33 LEU CD1 C 13 23.363 0.5 . 1 . . . A 33 LEU CD1 . 18504 1 205 . 1 1 34 34 VAL H H 1 7.751 0.05 . 1 . . . A 34 VAL H . 18504 1 206 . 1 1 34 34 VAL HA H 1 3.617 0.05 . 1 . . . A 34 VAL HA . 18504 1 207 . 1 1 34 34 VAL HB H 1 1.941 0.05 . 1 . . . A 34 VAL HB . 18504 1 208 . 1 1 34 34 VAL HG11 H 1 0.945 0.05 . 2 . . . A 34 VAL HG1 . 18504 1 209 . 1 1 34 34 VAL HG12 H 1 0.945 0.05 . 2 . . . A 34 VAL HG1 . 18504 1 210 . 1 1 34 34 VAL HG13 H 1 0.945 0.05 . 2 . . . A 34 VAL HG1 . 18504 1 211 . 1 1 34 34 VAL C C 13 178.222 0.5 . 1 . . . A 34 VAL C . 18504 1 212 . 1 1 34 34 VAL CA C 13 66.122 0.5 . 1 . . . A 34 VAL CA . 18504 1 213 . 1 1 34 34 VAL CB C 13 37.942 0.5 . 1 . . . A 34 VAL CB . 18504 1 214 . 1 1 34 34 VAL CG1 C 13 24.827 0.5 . 1 . . . A 34 VAL CG1 . 18504 1 215 . 1 1 34 34 VAL N N 15 124.025 0.5 . 1 . . . A 34 VAL N . 18504 1 216 . 1 1 35 35 LEU H H 1 7.532 0.05 . 1 . . . A 35 LEU H . 18504 1 217 . 1 1 35 35 LEU HA H 1 4.276 0.05 . 1 . . . A 35 LEU HA . 18504 1 218 . 1 1 35 35 LEU HB2 H 1 1.813 0.05 . 2 . . . A 35 LEU HB2 . 18504 1 219 . 1 1 35 35 LEU HB3 H 1 1.567 0.05 . 2 . . . A 35 LEU HB3 . 18504 1 220 . 1 1 35 35 LEU HG H 1 0.972 0.05 . 1 . . . A 35 LEU HG . 18504 1 221 . 1 1 35 35 LEU HD11 H 1 0.54 0.05 . 2 . . . A 35 LEU HD1 . 18504 1 222 . 1 1 35 35 LEU HD12 H 1 0.54 0.05 . 2 . . . A 35 LEU HD1 . 18504 1 223 . 1 1 35 35 LEU HD13 H 1 0.54 0.05 . 2 . . . A 35 LEU HD1 . 18504 1 224 . 1 1 35 35 LEU C C 13 175.855 0.5 . 1 . . . A 35 LEU C . 18504 1 225 . 1 1 35 35 LEU CA C 13 57.375 0.5 . 1 . . . A 35 LEU CA . 18504 1 226 . 1 1 35 35 LEU CB C 13 43.089 0.5 . 1 . . . A 35 LEU CB . 18504 1 227 . 1 1 35 35 LEU CG C 13 24.651 0.5 . 1 . . . A 35 LEU CG . 18504 1 228 . 1 1 35 35 LEU N N 15 120.009 0.5 . 1 . . . A 35 LEU N . 18504 1 229 . 1 1 36 36 LYS H H 1 7.501 0.05 . 1 . . . A 36 LYS H . 18504 1 230 . 1 1 36 36 LYS C C 13 178.903 0.5 . 1 . . . A 36 LYS C . 18504 1 231 . 1 1 36 36 LYS CA C 13 58.347 0.5 . 1 . . . A 36 LYS CA . 18504 1 232 . 1 1 36 36 LYS CB C 13 32.903 0.5 . 1 . . . A 36 LYS CB . 18504 1 233 . 1 1 36 36 LYS N N 15 115.805 0.5 . 1 . . . A 36 LYS N . 18504 1 234 . 1 1 37 37 GLY H H 1 8.811 0.05 . 1 . . . A 37 GLY H . 18504 1 235 . 1 1 37 37 GLY HA2 H 1 3.935 0.05 . 1 . . . A 37 GLY HA2 . 18504 1 236 . 1 1 37 37 GLY HA3 H 1 3.935 0.05 . 1 . . . A 37 GLY HA3 . 18504 1 237 . 1 1 37 37 GLY C C 13 174.865 0.5 . 1 . . . A 37 GLY C . 18504 1 238 . 1 1 37 37 GLY CA C 13 47.466 0.5 . 1 . . . A 37 GLY CA . 18504 1 239 . 1 1 37 37 GLY N N 15 110.626 0.5 . 1 . . . A 37 GLY N . 18504 1 240 . 1 1 38 38 GLU H H 1 8.763 0.05 . 1 . . . A 38 GLU H . 18504 1 241 . 1 1 38 38 GLU HA H 1 4.302 0.05 . 1 . . . A 38 GLU HA . 18504 1 242 . 1 1 38 38 GLU HB2 H 1 2.094 0.05 . 1 . . . A 38 GLU HB2 . 18504 1 243 . 1 1 38 38 GLU HB3 H 1 2.094 0.05 . 1 . . . A 38 GLU HB3 . 18504 1 244 . 1 1 38 38 GLU C C 13 176.681 0.5 . 1 . . . A 38 GLU C . 18504 1 245 . 1 1 38 38 GLU CA C 13 57.184 0.5 . 1 . . . A 38 GLU CA . 18504 1 246 . 1 1 38 38 GLU CB C 13 28.829 0.5 . 1 . . . A 38 GLU CB . 18504 1 247 . 1 1 38 38 GLU CG C 13 36.009 0.5 . 1 . . . A 38 GLU CG . 18504 1 248 . 1 1 38 38 GLU N N 15 116.098 0.5 . 1 . . . A 38 GLU N . 18504 1 249 . 1 1 39 39 LEU H H 1 7.167 0.05 . 1 . . . A 39 LEU H . 18504 1 250 . 1 1 39 39 LEU HA H 1 4.266 0.05 . 1 . . . A 39 LEU HA . 18504 1 251 . 1 1 39 39 LEU HB2 H 1 1.749 0.05 . 1 . . . A 39 LEU HB2 . 18504 1 252 . 1 1 39 39 LEU HB3 H 1 1.749 0.05 . 1 . . . A 39 LEU HB3 . 18504 1 253 . 1 1 39 39 LEU C C 13 176.016 0.5 . 1 . . . A 39 LEU C . 18504 1 254 . 1 1 39 39 LEU CA C 13 54.725 0.5 . 1 . . . A 39 LEU CA . 18504 1 255 . 1 1 39 39 LEU CB C 13 43.602 0.5 . 1 . . . A 39 LEU CB . 18504 1 256 . 1 1 39 39 LEU CG C 13 27.637 0.5 . 1 . . . A 39 LEU CG . 18504 1 257 . 1 1 39 39 LEU CD1 C 13 21.9 0.5 . 1 . . . A 39 LEU CD1 . 18504 1 258 . 1 1 39 39 LEU N N 15 119.439 0.5 . 1 . . . A 39 LEU N . 18504 1 259 . 1 1 40 40 ASP H H 1 8.596 0.05 . 1 . . . A 40 ASP H . 18504 1 260 . 1 1 40 40 ASP HA H 1 4.728 0.05 . 1 . . . A 40 ASP HA . 18504 1 261 . 1 1 40 40 ASP C C 13 178.198 0.5 . 1 . . . A 40 ASP C . 18504 1 262 . 1 1 40 40 ASP CA C 13 52.19 0.5 . 1 . . . A 40 ASP CA . 18504 1 263 . 1 1 40 40 ASP CB C 13 40.557 0.5 . 1 . . . A 40 ASP CB . 18504 1 264 . 1 1 40 40 ASP N N 15 120.105 0.5 . 1 . . . A 40 ASP N . 18504 1 265 . 1 1 41 41 LEU H H 1 9.029 0.05 . 1 . . . A 41 LEU H . 18504 1 266 . 1 1 41 41 LEU HA H 1 3.753 0.05 . 1 . . . A 41 LEU HA . 18504 1 267 . 1 1 41 41 LEU HB2 H 1 1.307 0.05 . 1 . . . A 41 LEU HB2 . 18504 1 268 . 1 1 41 41 LEU HB3 H 1 1.307 0.05 . 1 . . . A 41 LEU HB3 . 18504 1 269 . 1 1 41 41 LEU HD11 H 1 0.604 0.05 . 2 . . . A 41 LEU HD1 . 18504 1 270 . 1 1 41 41 LEU HD12 H 1 0.604 0.05 . 2 . . . A 41 LEU HD1 . 18504 1 271 . 1 1 41 41 LEU HD13 H 1 0.604 0.05 . 2 . . . A 41 LEU HD1 . 18504 1 272 . 1 1 41 41 LEU C C 13 175.113 0.5 . 1 . . . A 41 LEU C . 18504 1 273 . 1 1 41 41 LEU CA C 13 56.667 0.5 . 1 . . . A 41 LEU CA . 18504 1 274 . 1 1 41 41 LEU CB C 13 39.849 0.5 . 1 . . . A 41 LEU CB . 18504 1 275 . 1 1 41 41 LEU CG C 13 25.529 0.5 . 1 . . . A 41 LEU CG . 18504 1 276 . 1 1 41 41 LEU CD1 C 13 23.656 0.5 . 1 . . . A 41 LEU CD1 . 18504 1 277 . 1 1 41 41 LEU N N 15 125.023 0.5 . 1 . . . A 41 LEU N . 18504 1 278 . 1 1 42 42 HIS H H 1 8.065 0.05 . 1 . . . A 42 HIS H . 18504 1 279 . 1 1 42 42 HIS HA H 1 4.524 0.05 . 1 . . . A 42 HIS HA . 18504 1 280 . 1 1 42 42 HIS HB2 H 1 3.197 0.05 . 1 . . . A 42 HIS HB2 . 18504 1 281 . 1 1 42 42 HIS HB3 H 1 3.197 0.05 . 1 . . . A 42 HIS HB3 . 18504 1 282 . 1 1 42 42 HIS C C 13 175.855 0.5 . 1 . . . A 42 HIS C . 18504 1 283 . 1 1 42 42 HIS CA C 13 55.916 0.5 . 1 . . . A 42 HIS CA . 18504 1 284 . 1 1 42 42 HIS CB C 13 30.137 0.5 . 1 . . . A 42 HIS CB . 18504 1 285 . 1 1 42 42 HIS N N 15 113.184 0.5 . 1 . . . A 42 HIS N . 18504 1 286 . 1 1 43 43 SER H H 1 7.511 0.05 . 1 . . . A 43 SER H . 18504 1 287 . 1 1 43 43 SER HA H 1 4.524 0.05 . 1 . . . A 43 SER HA . 18504 1 288 . 1 1 43 43 SER C C 13 174.426 0.5 . 1 . . . A 43 SER C . 18504 1 289 . 1 1 43 43 SER CA C 13 58.206 0.5 . 1 . . . A 43 SER CA . 18504 1 290 . 1 1 43 43 SER CB C 13 65.517 0.5 . 1 . . . A 43 SER CB . 18504 1 291 . 1 1 43 43 SER N N 15 116.013 0.5 . 1 . . . A 43 SER N . 18504 1 292 . 1 1 44 44 LYS H H 1 8.846 0.05 . 1 . . . A 44 LYS H . 18504 1 293 . 1 1 44 44 LYS C C 13 177.791 0.5 . 1 . . . A 44 LYS C . 18504 1 294 . 1 1 44 44 LYS CA C 13 59.456 0.5 . 1 . . . A 44 LYS CA . 18504 1 295 . 1 1 44 44 LYS CB C 13 30.172 0.5 . 1 . . . A 44 LYS CB . 18504 1 296 . 1 1 44 44 LYS N N 15 123.332 0.5 . 1 . . . A 44 LYS N . 18504 1 297 . 1 1 45 45 ASN H H 1 8.545 0.05 . 1 . . . A 45 ASN H . 18504 1 298 . 1 1 45 45 ASN HA H 1 4.47 0.05 . 1 . . . A 45 ASN HA . 18504 1 299 . 1 1 45 45 ASN HB2 H 1 2.788 0.05 . 1 . . . A 45 ASN HB2 . 18504 1 300 . 1 1 45 45 ASN HB3 H 1 2.788 0.05 . 1 . . . A 45 ASN HB3 . 18504 1 301 . 1 1 45 45 ASN C C 13 177.817 0.5 . 1 . . . A 45 ASN C . 18504 1 302 . 1 1 45 45 ASN CA C 13 56.928 0.5 . 1 . . . A 45 ASN CA . 18504 1 303 . 1 1 45 45 ASN CB C 13 38.404 0.5 . 1 . . . A 45 ASN CB . 18504 1 304 . 1 1 45 45 ASN N N 15 118.501 0.5 . 1 . . . A 45 ASN N . 18504 1 305 . 1 1 46 46 MET H H 1 7.379 0.05 . 1 . . . A 46 MET H . 18504 1 306 . 1 1 46 46 MET HA H 1 4.471 0.05 . 1 . . . A 46 MET HA . 18504 1 307 . 1 1 46 46 MET HB2 H 1 2.19 0.05 . 2 . . . A 46 MET HB2 . 18504 1 308 . 1 1 46 46 MET HB3 H 1 1.619 0.05 . 2 . . . A 46 MET HB3 . 18504 1 309 . 1 1 46 46 MET C C 13 178.964 0.5 . 1 . . . A 46 MET C . 18504 1 310 . 1 1 46 46 MET CA C 13 55.467 0.5 . 1 . . . A 46 MET CA . 18504 1 311 . 1 1 46 46 MET CB C 13 29.707 0.5 . 1 . . . A 46 MET CB . 18504 1 312 . 1 1 46 46 MET CG C 13 31.911 0.5 . 1 . . . A 46 MET CG . 18504 1 313 . 1 1 46 46 MET N N 15 116.171 0.5 . 1 . . . A 46 MET N . 18504 1 314 . 1 1 47 47 LYS H H 1 8.45 0.05 . 1 . . . A 47 LYS H . 18504 1 315 . 1 1 47 47 LYS HA H 1 3.884 0.05 . 1 . . . A 47 LYS HA . 18504 1 316 . 1 1 47 47 LYS HB2 H 1 1.821 0.05 . 1 . . . A 47 LYS HB2 . 18504 1 317 . 1 1 47 47 LYS HB3 H 1 1.821 0.05 . 1 . . . A 47 LYS HB3 . 18504 1 318 . 1 1 47 47 LYS HG2 H 1 1.495 0.05 . 1 . . . A 47 LYS HG2 . 18504 1 319 . 1 1 47 47 LYS HG3 H 1 1.495 0.05 . 1 . . . A 47 LYS HG3 . 18504 1 320 . 1 1 47 47 LYS HE2 H 1 2.952 0.05 . 1 . . . A 47 LYS HE2 . 18504 1 321 . 1 1 47 47 LYS HE3 H 1 2.952 0.05 . 1 . . . A 47 LYS HE3 . 18504 1 322 . 1 1 47 47 LYS C C 13 179.31 0.5 . 1 . . . A 47 LYS C . 18504 1 323 . 1 1 47 47 LYS CA C 13 60.339 0.5 . 1 . . . A 47 LYS CA . 18504 1 324 . 1 1 47 47 LYS CB C 13 31.75 0.5 . 1 . . . A 47 LYS CB . 18504 1 325 . 1 1 47 47 LYS CG C 13 25.588 0.5 . 1 . . . A 47 LYS CG . 18504 1 326 . 1 1 47 47 LYS CE C 13 41.57 0.5 . 1 . . . A 47 LYS CE . 18504 1 327 . 1 1 47 47 LYS N N 15 121.054 0.5 . 1 . . . A 47 LYS N . 18504 1 328 . 1 1 48 48 ASN H H 1 7.896 0.05 . 1 . . . A 48 ASN H . 18504 1 329 . 1 1 48 48 ASN HA H 1 3.881 0.05 . 1 . . . A 48 ASN HA . 18504 1 330 . 1 1 48 48 ASN HB2 H 1 2.952 0.05 . 1 . . . A 48 ASN HB2 . 18504 1 331 . 1 1 48 48 ASN HB3 H 1 2.952 0.05 . 1 . . . A 48 ASN HB3 . 18504 1 332 . 1 1 48 48 ASN C C 13 177.733 0.5 . 1 . . . A 48 ASN C . 18504 1 333 . 1 1 48 48 ASN CA C 13 56.54 0.5 . 1 . . . A 48 ASN CA . 18504 1 334 . 1 1 48 48 ASN CB C 13 38.333 0.5 . 1 . . . A 48 ASN CB . 18504 1 335 . 1 1 48 48 ASN N N 15 117.137 0.5 . 1 . . . A 48 ASN N . 18504 1 336 . 1 1 49 49 VAL H H 1 7.869 0.05 . 1 . . . A 49 VAL H . 18504 1 337 . 1 1 49 49 VAL HA H 1 3.679 0.05 . 1 . . . A 49 VAL HA . 18504 1 338 . 1 1 49 49 VAL HB H 1 2.017 0.05 . 1 . . . A 49 VAL HB . 18504 1 339 . 1 1 49 49 VAL HG11 H 1 0.916 0.05 . 2 . . . A 49 VAL HG1 . 18504 1 340 . 1 1 49 49 VAL HG12 H 1 0.916 0.05 . 2 . . . A 49 VAL HG1 . 18504 1 341 . 1 1 49 49 VAL HG13 H 1 0.916 0.05 . 2 . . . A 49 VAL HG1 . 18504 1 342 . 1 1 49 49 VAL HG21 H 1 0.651 0.05 . 2 . . . A 49 VAL HG2 . 18504 1 343 . 1 1 49 49 VAL HG22 H 1 0.651 0.05 . 2 . . . A 49 VAL HG2 . 18504 1 344 . 1 1 49 49 VAL HG23 H 1 0.651 0.05 . 2 . . . A 49 VAL HG2 . 18504 1 345 . 1 1 49 49 VAL C C 13 176.675 0.5 . 1 . . . A 49 VAL C . 18504 1 346 . 1 1 49 49 VAL CA C 13 66.434 0.5 . 1 . . . A 49 VAL CA . 18504 1 347 . 1 1 49 49 VAL CB C 13 32.069 0.5 . 1 . . . A 49 VAL CB . 18504 1 348 . 1 1 49 49 VAL CG1 C 13 21.616 0.5 . 1 . . . A 49 VAL CG1 . 18504 1 349 . 1 1 49 49 VAL N N 15 121.225 0.5 . 1 . . . A 49 VAL N . 18504 1 350 . 1 1 50 50 ILE H H 1 8.093 0.05 . 1 . . . A 50 ILE H . 18504 1 351 . 1 1 50 50 ILE HA H 1 4.25 0.05 . 1 . . . A 50 ILE HA . 18504 1 352 . 1 1 50 50 ILE HB H 1 2.666 0.05 . 1 . . . A 50 ILE HB . 18504 1 353 . 1 1 50 50 ILE HG12 H 1 0.899 0.05 . 1 . . . A 50 ILE HG12 . 18504 1 354 . 1 1 50 50 ILE HG13 H 1 0.899 0.05 . 1 . . . A 50 ILE HG13 . 18504 1 355 . 1 1 50 50 ILE C C 13 179.831 0.5 . 1 . . . A 50 ILE C . 18504 1 356 . 1 1 50 50 ILE CA C 13 57.94 0.5 . 1 . . . A 50 ILE CA . 18504 1 357 . 1 1 50 50 ILE CB C 13 40.112 0.5 . 1 . . . A 50 ILE CB . 18504 1 358 . 1 1 50 50 ILE N N 15 120.523 0.5 . 1 . . . A 50 ILE N . 18504 1 359 . 1 1 51 51 ASN H H 1 7.953 0.05 . 1 . . . A 51 ASN H . 18504 1 360 . 1 1 51 51 ASN HA H 1 4.019 0.05 . 1 . . . A 51 ASN HA . 18504 1 361 . 1 1 51 51 ASN C C 13 178.496 0.5 . 1 . . . A 51 ASN C . 18504 1 362 . 1 1 51 51 ASN CA C 13 56.612 0.5 . 1 . . . A 51 ASN CA . 18504 1 363 . 1 1 51 51 ASN CB C 13 38.355 0.5 . 1 . . . A 51 ASN CB . 18504 1 364 . 1 1 51 51 ASN N N 15 117.28 0.5 . 1 . . . A 51 ASN N . 18504 1 365 . 1 1 52 52 ASN H H 1 8.347 0.05 . 1 . . . A 52 ASN H . 18504 1 366 . 1 1 52 52 ASN HA H 1 4.415 0.05 . 1 . . . A 52 ASN HA . 18504 1 367 . 1 1 52 52 ASN HB2 H 1 2.863 0.05 . 1 . . . A 52 ASN HB2 . 18504 1 368 . 1 1 52 52 ASN HB3 H 1 2.863 0.05 . 1 . . . A 52 ASN HB3 . 18504 1 369 . 1 1 52 52 ASN C C 13 176.434 0.5 . 1 . . . A 52 ASN C . 18504 1 370 . 1 1 52 52 ASN CA C 13 56.77 0.5 . 1 . . . A 52 ASN CA . 18504 1 371 . 1 1 52 52 ASN CB C 13 38.353 0.5 . 1 . . . A 52 ASN CB . 18504 1 372 . 1 1 52 52 ASN N N 15 118.893 0.5 . 1 . . . A 52 ASN N . 18504 1 373 . 1 1 53 53 ALA H H 1 7.706 0.05 . 1 . . . A 53 ALA H . 18504 1 374 . 1 1 53 53 ALA HA H 1 4.514 0.05 . 1 . . . A 53 ALA HA . 18504 1 375 . 1 1 53 53 ALA HB1 H 1 1.48 0.05 . 1 . . . A 53 ALA HB . 18504 1 376 . 1 1 53 53 ALA HB2 H 1 1.48 0.05 . 1 . . . A 53 ALA HB . 18504 1 377 . 1 1 53 53 ALA HB3 H 1 1.48 0.05 . 1 . . . A 53 ALA HB . 18504 1 378 . 1 1 53 53 ALA C C 13 180.689 0.5 . 1 . . . A 53 ALA C . 18504 1 379 . 1 1 53 53 ALA CA C 13 54.901 0.5 . 1 . . . A 53 ALA CA . 18504 1 380 . 1 1 53 53 ALA CB C 13 17.901 0.5 . 1 . . . A 53 ALA CB . 18504 1 381 . 1 1 53 53 ALA N N 15 122.291 0.5 . 1 . . . A 53 ALA N . 18504 1 382 . 1 1 54 54 LYS H H 1 8.375 0.05 . 1 . . . A 54 LYS H . 18504 1 383 . 1 1 54 54 LYS HA H 1 3.837 0.05 . 1 . . . A 54 LYS HA . 18504 1 384 . 1 1 54 54 LYS HB2 H 1 2.047 0.05 . 1 . . . A 54 LYS HB2 . 18504 1 385 . 1 1 54 54 LYS HB3 H 1 2.047 0.05 . 1 . . . A 54 LYS HB3 . 18504 1 386 . 1 1 54 54 LYS C C 13 178.066 0.5 . 1 . . . A 54 LYS C . 18504 1 387 . 1 1 54 54 LYS CA C 13 60.306 0.5 . 1 . . . A 54 LYS CA . 18504 1 388 . 1 1 54 54 LYS CB C 13 32.088 0.5 . 1 . . . A 54 LYS CB . 18504 1 389 . 1 1 54 54 LYS CG C 13 25.237 0.5 . 1 . . . A 54 LYS CG . 18504 1 390 . 1 1 54 54 LYS N N 15 119.091 0.5 . 1 . . . A 54 LYS N . 18504 1 391 . 1 1 55 55 LYS H H 1 8.259 0.05 . 1 . . . A 55 LYS H . 18504 1 392 . 1 1 55 55 LYS HA H 1 3.873 0.05 . 1 . . . A 55 LYS HA . 18504 1 393 . 1 1 55 55 LYS HB2 H 1 2.023 0.05 . 1 . . . A 55 LYS HB2 . 18504 1 394 . 1 1 55 55 LYS HB3 H 1 2.023 0.05 . 1 . . . A 55 LYS HB3 . 18504 1 395 . 1 1 55 55 LYS C C 13 179.819 0.5 . 1 . . . A 55 LYS C . 18504 1 396 . 1 1 55 55 LYS CA C 13 60.286 0.5 . 1 . . . A 55 LYS CA . 18504 1 397 . 1 1 55 55 LYS CB C 13 31.99 0.5 . 1 . . . A 55 LYS CB . 18504 1 398 . 1 1 55 55 LYS N N 15 119.37 0.5 . 1 . . . A 55 LYS N . 18504 1 399 . 1 1 56 56 ASN H H 1 8.235 0.05 . 1 . . . A 56 ASN H . 18504 1 400 . 1 1 56 56 ASN HA H 1 4.409 0.05 . 1 . . . A 56 ASN HA . 18504 1 401 . 1 1 56 56 ASN HB2 H 1 3.057 0.05 . 2 . . . A 56 ASN HB2 . 18504 1 402 . 1 1 56 56 ASN HB3 H 1 2.665 0.05 . 2 . . . A 56 ASN HB3 . 18504 1 403 . 1 1 56 56 ASN C C 13 178.899 0.5 . 1 . . . A 56 ASN C . 18504 1 404 . 1 1 56 56 ASN CA C 13 55.74 0.5 . 1 . . . A 56 ASN CA . 18504 1 405 . 1 1 56 56 ASN CB C 13 37.103 0.5 . 1 . . . A 56 ASN CB . 18504 1 406 . 1 1 56 56 ASN N N 15 119.303 0.5 . 1 . . . A 56 ASN N . 18504 1 407 . 1 1 57 57 LEU H H 1 8.21 0.05 . 1 . . . A 57 LEU H . 18504 1 408 . 1 1 57 57 LEU HA H 1 4.682 0.05 . 1 . . . A 57 LEU HA . 18504 1 409 . 1 1 57 57 LEU HB2 H 1 1.979 0.05 . 2 . . . A 57 LEU HB2 . 18504 1 410 . 1 1 57 57 LEU HB3 H 1 1.771 0.05 . 2 . . . A 57 LEU HB3 . 18504 1 411 . 1 1 57 57 LEU HD11 H 1 0.975 0.05 . 2 . . . A 57 LEU HD1 . 18504 1 412 . 1 1 57 57 LEU HD12 H 1 0.975 0.05 . 2 . . . A 57 LEU HD1 . 18504 1 413 . 1 1 57 57 LEU HD13 H 1 0.975 0.05 . 2 . . . A 57 LEU HD1 . 18504 1 414 . 1 1 57 57 LEU C C 13 178.541 0.5 . 1 . . . A 57 LEU C . 18504 1 415 . 1 1 57 57 LEU CA C 13 58.199 0.5 . 1 . . . A 57 LEU CA . 18504 1 416 . 1 1 57 57 LEU CB C 13 42.626 0.5 . 1 . . . A 57 LEU CB . 18504 1 417 . 1 1 57 57 LEU CG C 13 25.295 0.5 . 1 . . . A 57 LEU CG . 18504 1 418 . 1 1 57 57 LEU CD1 C 13 24.683 0.5 . 1 . . . A 57 LEU CD1 . 18504 1 419 . 1 1 57 57 LEU N N 15 123.252 0.5 . 1 . . . A 57 LEU N . 18504 1 420 . 1 1 58 58 GLU H H 1 8.846 0.05 . 1 . . . A 58 GLU H . 18504 1 421 . 1 1 58 58 GLU HA H 1 4.003 0.05 . 1 . . . A 58 GLU HA . 18504 1 422 . 1 1 58 58 GLU HB2 H 1 1.713 0.05 . 1 . . . A 58 GLU HB2 . 18504 1 423 . 1 1 58 58 GLU HB3 H 1 1.713 0.05 . 1 . . . A 58 GLU HB3 . 18504 1 424 . 1 1 58 58 GLU HG2 H 1 2.479 0.05 . 1 . . . A 58 GLU HG2 . 18504 1 425 . 1 1 58 58 GLU HG3 H 1 2.479 0.05 . 1 . . . A 58 GLU HG3 . 18504 1 426 . 1 1 58 58 GLU C C 13 177.333 0.5 . 1 . . . A 58 GLU C . 18504 1 427 . 1 1 58 58 GLU CA C 13 61.145 0.5 . 1 . . . A 58 GLU CA . 18504 1 428 . 1 1 58 58 GLU CB C 13 30.312 0.5 . 1 . . . A 58 GLU CB . 18504 1 429 . 1 1 58 58 GLU CG C 13 38.521 0.5 . 1 . . . A 58 GLU CG . 18504 1 430 . 1 1 58 58 GLU N N 15 118.795 0.5 . 1 . . . A 58 GLU N . 18504 1 431 . 1 1 59 59 LYS H H 1 8.373 0.05 . 1 . . . A 59 LYS H . 18504 1 432 . 1 1 59 59 LYS HA H 1 4.475 0.05 . 1 . . . A 59 LYS HA . 18504 1 433 . 1 1 59 59 LYS C C 13 178.428 0.5 . 1 . . . A 59 LYS C . 18504 1 434 . 1 1 59 59 LYS CA C 13 60.145 0.5 . 1 . . . A 59 LYS CA . 18504 1 435 . 1 1 59 59 LYS CB C 13 32.688 0.5 . 1 . . . A 59 LYS CB . 18504 1 436 . 1 1 59 59 LYS CG C 13 24.768 0.5 . 1 . . . A 59 LYS CG . 18504 1 437 . 1 1 59 59 LYS CD C 13 29.803 0.5 . 1 . . . A 59 LYS CD . 18504 1 438 . 1 1 59 59 LYS CE C 13 40.282 0.5 . 1 . . . A 59 LYS CE . 18504 1 439 . 1 1 59 59 LYS N N 15 118.325 0.5 . 1 . . . A 59 LYS N . 18504 1 440 . 1 1 60 60 TYR H H 1 7.532 0.05 . 1 . . . A 60 TYR H . 18504 1 441 . 1 1 60 60 TYR HA H 1 4.327 0.05 . 1 . . . A 60 TYR HA . 18504 1 442 . 1 1 60 60 TYR HB2 H 1 2.539 0.05 . 2 . . . A 60 TYR HB2 . 18504 1 443 . 1 1 60 60 TYR HB3 H 1 1.862 0.05 . 2 . . . A 60 TYR HB3 . 18504 1 444 . 1 1 60 60 TYR HD1 H 1 7.17 0.05 . 1 . . . A 60 TYR HD1 . 18504 1 445 . 1 1 60 60 TYR HD2 H 1 7.17 0.05 . 1 . . . A 60 TYR HD2 . 18504 1 446 . 1 1 60 60 TYR C C 13 178.899 0.5 . 1 . . . A 60 TYR C . 18504 1 447 . 1 1 60 60 TYR CA C 13 62.394 0.5 . 1 . . . A 60 TYR CA . 18504 1 448 . 1 1 60 60 TYR CB C 13 38.294 0.5 . 1 . . . A 60 TYR CB . 18504 1 449 . 1 1 60 60 TYR N N 15 119.345 0.5 . 1 . . . A 60 TYR N . 18504 1 450 . 1 1 61 61 PHE H H 1 8.607 0.05 . 1 . . . A 61 PHE H . 18504 1 451 . 1 1 61 61 PHE HA H 1 4.328 0.05 . 1 . . . A 61 PHE HA . 18504 1 452 . 1 1 61 61 PHE HB2 H 1 2.555 0.05 . 2 . . . A 61 PHE HB2 . 18504 1 453 . 1 1 61 61 PHE HB3 H 1 1.872 0.05 . 2 . . . A 61 PHE HB3 . 18504 1 454 . 1 1 61 61 PHE HD1 H 1 7.177 0.05 . 1 . . . A 61 PHE HD1 . 18504 1 455 . 1 1 61 61 PHE HD2 H 1 7.177 0.05 . 1 . . . A 61 PHE HD2 . 18504 1 456 . 1 1 61 61 PHE C C 13 178.45 0.5 . 1 . . . A 61 PHE C . 18504 1 457 . 1 1 61 61 PHE CA C 13 62.394 0.5 . 1 . . . A 61 PHE CA . 18504 1 458 . 1 1 61 61 PHE CB C 13 37.923 0.5 . 1 . . . A 61 PHE CB . 18504 1 459 . 1 1 61 61 PHE N N 15 118.931 0.5 . 1 . . . A 61 PHE N . 18504 1 460 . 1 1 62 62 LYS H H 1 8.615 0.05 . 1 . . . A 62 LYS H . 18504 1 461 . 1 1 62 62 LYS HA H 1 4.302 0.05 . 1 . . . A 62 LYS HA . 18504 1 462 . 1 1 62 62 LYS HB2 H 1 2.057 0.05 . 1 . . . A 62 LYS HB2 . 18504 1 463 . 1 1 62 62 LYS HB3 H 1 2.057 0.05 . 1 . . . A 62 LYS HB3 . 18504 1 464 . 1 1 62 62 LYS C C 13 178.333 0.5 . 1 . . . A 62 LYS C . 18504 1 465 . 1 1 62 62 LYS CA C 13 59.311 0.5 . 1 . . . A 62 LYS CA . 18504 1 466 . 1 1 62 62 LYS CB C 13 32.849 0.5 . 1 . . . A 62 LYS CB . 18504 1 467 . 1 1 62 62 LYS CG C 13 26.291 0.5 . 1 . . . A 62 LYS CG . 18504 1 468 . 1 1 62 62 LYS N N 15 118.337 0.5 . 1 . . . A 62 LYS N . 18504 1 469 . 1 1 63 63 GLU H H 1 7.547 0.05 . 1 . . . A 63 GLU H . 18504 1 470 . 1 1 63 63 GLU HA H 1 3.926 0.05 . 1 . . . A 63 GLU HA . 18504 1 471 . 1 1 63 63 GLU HB2 H 1 1.9 0.05 . 2 . . . A 63 GLU HB2 . 18504 1 472 . 1 1 63 63 GLU HB3 H 1 1.599 0.05 . 2 . . . A 63 GLU HB3 . 18504 1 473 . 1 1 63 63 GLU C C 13 177.317 0.5 . 1 . . . A 63 GLU C . 18504 1 474 . 1 1 63 63 GLU CA C 13 58.316 0.5 . 1 . . . A 63 GLU CA . 18504 1 475 . 1 1 63 63 GLU CB C 13 29.356 0.5 . 1 . . . A 63 GLU CB . 18504 1 476 . 1 1 63 63 GLU CG C 13 36.36 0.5 . 1 . . . A 63 GLU CG . 18504 1 477 . 1 1 63 63 GLU N N 15 116.36 0.5 . 1 . . . A 63 GLU N . 18504 1 478 . 1 1 64 64 HIS H H 1 7.013 0.05 . 1 . . . A 64 HIS H . 18504 1 479 . 1 1 64 64 HIS HA H 1 4.421 0.05 . 1 . . . A 64 HIS HA . 18504 1 480 . 1 1 64 64 HIS HB2 H 1 2.87 0.05 . 1 . . . A 64 HIS HB2 . 18504 1 481 . 1 1 64 64 HIS HB3 H 1 2.87 0.05 . 1 . . . A 64 HIS HB3 . 18504 1 482 . 1 1 64 64 HIS C C 13 173.911 0.5 . 1 . . . A 64 HIS C . 18504 1 483 . 1 1 64 64 HIS CA C 13 58.082 0.5 . 1 . . . A 64 HIS CA . 18504 1 484 . 1 1 64 64 HIS CB C 13 31.835 0.5 . 1 . . . A 64 HIS CB . 18504 1 485 . 1 1 64 64 HIS N N 15 113.58 0.5 . 1 . . . A 64 HIS N . 18504 1 486 . 1 1 65 65 PHE H H 1 8.34 0.05 . 1 . . . A 65 PHE H . 18504 1 487 . 1 1 65 65 PHE HA H 1 4.936 0.05 . 1 . . . A 65 PHE HA . 18504 1 488 . 1 1 65 65 PHE HB2 H 1 3.19 0.05 . 2 . . . A 65 PHE HB2 . 18504 1 489 . 1 1 65 65 PHE HB3 H 1 2.942 0.05 . 2 . . . A 65 PHE HB3 . 18504 1 490 . 1 1 65 65 PHE HD1 H 1 7.308 0.05 . 1 . . . A 65 PHE HD1 . 18504 1 491 . 1 1 65 65 PHE HD2 H 1 7.308 0.05 . 1 . . . A 65 PHE HD2 . 18504 1 492 . 1 1 65 65 PHE C C 13 175.232 0.5 . 1 . . . A 65 PHE C . 18504 1 493 . 1 1 65 65 PHE CA C 13 57.223 0.5 . 1 . . . A 65 PHE CA . 18504 1 494 . 1 1 65 65 PHE CB C 13 40.362 0.5 . 1 . . . A 65 PHE CB . 18504 1 495 . 1 1 65 65 PHE N N 15 119.434 0.5 . 1 . . . A 65 PHE N . 18504 1 496 . 1 1 66 66 LYS H H 1 8.59 0.05 . 1 . . . A 66 LYS H . 18504 1 497 . 1 1 66 66 LYS HA H 1 4.288 0.05 . 1 . . . A 66 LYS HA . 18504 1 498 . 1 1 66 66 LYS HB2 H 1 1.924 0.05 . 1 . . . A 66 LYS HB2 . 18504 1 499 . 1 1 66 66 LYS HB3 H 1 1.924 0.05 . 1 . . . A 66 LYS HB3 . 18504 1 500 . 1 1 66 66 LYS C C 13 177.685 0.5 . 1 . . . A 66 LYS C . 18504 1 501 . 1 1 66 66 LYS CA C 13 58.798 0.5 . 1 . . . A 66 LYS CA . 18504 1 502 . 1 1 66 66 LYS CB C 13 32.473 0.5 . 1 . . . A 66 LYS CB . 18504 1 503 . 1 1 66 66 LYS CG C 13 24.944 0.5 . 1 . . . A 66 LYS CG . 18504 1 504 . 1 1 66 66 LYS CD C 13 29.159 0.5 . 1 . . . A 66 LYS CD . 18504 1 505 . 1 1 66 66 LYS CE C 13 42.273 0.5 . 1 . . . A 66 LYS CE . 18504 1 506 . 1 1 66 66 LYS N N 15 123.217 0.5 . 1 . . . A 66 LYS N . 18504 1 507 . 1 1 67 67 GLU H H 1 8.969 0.05 . 1 . . . A 67 GLU H . 18504 1 508 . 1 1 67 67 GLU HA H 1 4.361 0.05 . 1 . . . A 67 GLU HA . 18504 1 509 . 1 1 67 67 GLU HB2 H 1 2.081 0.05 . 1 . . . A 67 GLU HB2 . 18504 1 510 . 1 1 67 67 GLU HB3 H 1 2.081 0.05 . 1 . . . A 67 GLU HB3 . 18504 1 511 . 1 1 67 67 GLU C C 13 175.77 0.5 . 1 . . . A 67 GLU C . 18504 1 512 . 1 1 67 67 GLU CA C 13 56.364 0.5 . 1 . . . A 67 GLU CA . 18504 1 513 . 1 1 67 67 GLU CB C 13 29.103 0.5 . 1 . . . A 67 GLU CB . 18504 1 514 . 1 1 67 67 GLU CG C 13 36.536 0.5 . 1 . . . A 67 GLU CG . 18504 1 515 . 1 1 67 67 GLU N N 15 117.085 0.5 . 1 . . . A 67 GLU N . 18504 1 516 . 1 1 68 68 PHE H H 1 7.752 0.05 . 1 . . . A 68 PHE H . 18504 1 517 . 1 1 68 68 PHE HA H 1 4.272 0.05 . 1 . . . A 68 PHE HA . 18504 1 518 . 1 1 68 68 PHE HB2 H 1 3.104 0.05 . 1 . . . A 68 PHE HB2 . 18504 1 519 . 1 1 68 68 PHE HB3 H 1 3.104 0.05 . 1 . . . A 68 PHE HB3 . 18504 1 520 . 1 1 68 68 PHE HD1 H 1 7.135 0.05 . 1 . . . A 68 PHE HD1 . 18504 1 521 . 1 1 68 68 PHE HD2 H 1 7.135 0.05 . 1 . . . A 68 PHE HD2 . 18504 1 522 . 1 1 68 68 PHE C C 13 173.621 0.5 . 1 . . . A 68 PHE C . 18504 1 523 . 1 1 68 68 PHE CA C 13 59.096 0.5 . 1 . . . A 68 PHE CA . 18504 1 524 . 1 1 68 68 PHE CB C 13 40.772 0.5 . 1 . . . A 68 PHE CB . 18504 1 525 . 1 1 68 68 PHE N N 15 121.127 0.5 . 1 . . . A 68 PHE N . 18504 1 526 . 1 1 69 69 ASP H H 1 7.767 0.05 . 1 . . . A 69 ASP H . 18504 1 527 . 1 1 69 69 ASP HA H 1 4.603 0.05 . 1 . . . A 69 ASP HA . 18504 1 528 . 1 1 69 69 ASP HB2 H 1 2.549 0.05 . 1 . . . A 69 ASP HB2 . 18504 1 529 . 1 1 69 69 ASP HB3 H 1 2.549 0.05 . 1 . . . A 69 ASP HB3 . 18504 1 530 . 1 1 69 69 ASP C C 13 173.387 0.5 . 1 . . . A 69 ASP C . 18504 1 531 . 1 1 69 69 ASP CA C 13 54.881 0.5 . 1 . . . A 69 ASP CA . 18504 1 532 . 1 1 69 69 ASP CB C 13 41.806 0.5 . 1 . . . A 69 ASP CB . 18504 1 533 . 1 1 69 69 ASP N N 15 125.72 0.5 . 1 . . . A 69 ASP N . 18504 1 534 . 1 1 70 70 LYS H H 1 7.305 0.05 . 1 . . . A 70 LYS H . 18504 1 535 . 1 1 70 70 LYS HA H 1 4.449 0.05 . 1 . . . A 70 LYS HA . 18504 1 536 . 1 1 70 70 LYS HB2 H 1 1.747 0.05 . 1 . . . A 70 LYS HB2 . 18504 1 537 . 1 1 70 70 LYS HB3 H 1 1.747 0.05 . 1 . . . A 70 LYS HB3 . 18504 1 538 . 1 1 70 70 LYS C C 13 175.841 0.5 . 1 . . . A 70 LYS C . 18504 1 539 . 1 1 70 70 LYS CA C 13 55.486 0.5 . 1 . . . A 70 LYS CA . 18504 1 540 . 1 1 70 70 LYS CB C 13 34.781 0.5 . 1 . . . A 70 LYS CB . 18504 1 541 . 1 1 70 70 LYS CG C 13 23.598 0.5 . 1 . . . A 70 LYS CG . 18504 1 542 . 1 1 70 70 LYS CD C 13 29.335 0.5 . 1 . . . A 70 LYS CD . 18504 1 543 . 1 1 70 70 LYS CE C 13 42.214 0.5 . 1 . . . A 70 LYS CE . 18504 1 544 . 1 1 70 70 LYS N N 15 115.004 0.5 . 1 . . . A 70 LYS N . 18504 1 545 . 1 1 71 71 ILE H H 1 9.522 0.05 . 1 . . . A 71 ILE H . 18504 1 546 . 1 1 71 71 ILE HA H 1 4.709 0.05 . 1 . . . A 71 ILE HA . 18504 1 547 . 1 1 71 71 ILE HB H 1 2.121 0.05 . 1 . . . A 71 ILE HB . 18504 1 548 . 1 1 71 71 ILE HG12 H 1 1.046 0.05 . 1 . . . A 71 ILE HG12 . 18504 1 549 . 1 1 71 71 ILE HG13 H 1 1.046 0.05 . 1 . . . A 71 ILE HG13 . 18504 1 550 . 1 1 71 71 ILE C C 13 175.12 0.5 . 1 . . . A 71 ILE C . 18504 1 551 . 1 1 71 71 ILE CA C 13 59.252 0.5 . 1 . . . A 71 ILE CA . 18504 1 552 . 1 1 71 71 ILE CB C 13 39.302 0.5 . 1 . . . A 71 ILE CB . 18504 1 553 . 1 1 71 71 ILE CG1 C 13 28.34 0.5 . 1 . . . A 71 ILE CG1 . 18504 1 554 . 1 1 71 71 ILE CG2 C 13 18.27 0.5 . 1 . . . A 71 ILE CG2 . 18504 1 555 . 1 1 71 71 ILE N N 15 122.809 0.5 . 1 . . . A 71 ILE N . 18504 1 556 . 1 1 72 72 SER H H 1 8.76 0.05 . 1 . . . A 72 SER H . 18504 1 557 . 1 1 72 72 SER HA H 1 4.92 0.05 . 1 . . . A 72 SER HA . 18504 1 558 . 1 1 72 72 SER HB2 H 1 3.882 0.05 . 1 . . . A 72 SER HB2 . 18504 1 559 . 1 1 72 72 SER HB3 H 1 3.882 0.05 . 1 . . . A 72 SER HB3 . 18504 1 560 . 1 1 72 72 SER C C 13 172.157 0.5 . 1 . . . A 72 SER C . 18504 1 561 . 1 1 72 72 SER CA C 13 57.73 0.5 . 1 . . . A 72 SER CA . 18504 1 562 . 1 1 72 72 SER CB C 13 65.634 0.5 . 1 . . . A 72 SER CB . 18504 1 563 . 1 1 72 72 SER N N 15 121.741 0.5 . 1 . . . A 72 SER N . 18504 1 564 . 1 1 73 73 TYR H H 1 8.275 0.05 . 1 . . . A 73 TYR H . 18504 1 565 . 1 1 73 73 TYR HA H 1 5.721 0.05 . 1 . . . A 73 TYR HA . 18504 1 566 . 1 1 73 73 TYR HB2 H 1 3.017 0.05 . 2 . . . A 73 TYR HB2 . 18504 1 567 . 1 1 73 73 TYR HB3 H 1 2.762 0.05 . 2 . . . A 73 TYR HB3 . 18504 1 568 . 1 1 73 73 TYR HD1 H 1 6.746 0.05 . 1 . . . A 73 TYR HD1 . 18504 1 569 . 1 1 73 73 TYR HD2 H 1 6.746 0.05 . 1 . . . A 73 TYR HD2 . 18504 1 570 . 1 1 73 73 TYR C C 13 173.231 0.5 . 1 . . . A 73 TYR C . 18504 1 571 . 1 1 73 73 TYR CA C 13 56.23 0.5 . 1 . . . A 73 TYR CA . 18504 1 572 . 1 1 73 73 TYR CB C 13 42.383 0.5 . 1 . . . A 73 TYR CB . 18504 1 573 . 1 1 73 73 TYR CD1 C 13 132.539 0.5 . 1 . . . A 73 TYR CD1 . 18504 1 574 . 1 1 73 73 TYR CD2 C 13 132.539 0.5 . 1 . . . A 73 TYR CD2 . 18504 1 575 . 1 1 73 73 TYR N N 15 118.245 0.5 . 1 . . . A 73 TYR N . 18504 1 576 . 1 1 74 74 ASP H H 1 9.332 0.05 . 1 . . . A 74 ASP H . 18504 1 577 . 1 1 74 74 ASP HA H 1 5.055 0.05 . 1 . . . A 74 ASP HA . 18504 1 578 . 1 1 74 74 ASP HB2 H 1 2.664 0.05 . 1 . . . A 74 ASP HB2 . 18504 1 579 . 1 1 74 74 ASP HB3 H 1 2.664 0.05 . 1 . . . A 74 ASP HB3 . 18504 1 580 . 1 1 74 74 ASP C C 13 174.827 0.5 . 1 . . . A 74 ASP C . 18504 1 581 . 1 1 74 74 ASP CA C 13 53.601 0.5 . 1 . . . A 74 ASP CA . 18504 1 582 . 1 1 74 74 ASP CB C 13 45.64 0.5 . 1 . . . A 74 ASP CB . 18504 1 583 . 1 1 74 74 ASP N N 15 120.379 0.5 . 1 . . . A 74 ASP N . 18504 1 584 . 1 1 75 75 ILE H H 1 7.501 0.05 . 1 . . . A 75 ILE H . 18504 1 585 . 1 1 75 75 ILE HA H 1 4.584 0.05 . 1 . . . A 75 ILE HA . 18504 1 586 . 1 1 75 75 ILE C C 13 177.411 0.5 . 1 . . . A 75 ILE C . 18504 1 587 . 1 1 75 75 ILE CA C 13 59.209 0.5 . 1 . . . A 75 ILE CA . 18504 1 588 . 1 1 75 75 ILE CB C 13 40.768 0.5 . 1 . . . A 75 ILE CB . 18504 1 589 . 1 1 76 76 SER H H 1 9.05 0.05 . 1 . . . A 76 SER H . 18504 1 590 . 1 1 76 76 SER HA H 1 5.45 0.05 . 1 . . . A 76 SER HA . 18504 1 591 . 1 1 76 76 SER HB2 H 1 3.889 0.05 . 1 . . . A 76 SER HB2 . 18504 1 592 . 1 1 76 76 SER HB3 H 1 3.889 0.05 . 1 . . . A 76 SER HB3 . 18504 1 593 . 1 1 76 76 SER C C 13 173.767 0.5 . 1 . . . A 76 SER C . 18504 1 594 . 1 1 76 76 SER CA C 13 57.758 0.5 . 1 . . . A 76 SER CA . 18504 1 595 . 1 1 76 76 SER CB C 13 64.462 0.5 . 1 . . . A 76 SER CB . 18504 1 596 . 1 1 76 76 SER N N 15 117.836 0.5 . 1 . . . A 76 SER N . 18504 1 597 . 1 1 77 77 THR H H 1 8.601 0.05 . 1 . . . A 77 THR H . 18504 1 598 . 1 1 77 77 THR HA H 1 4.959 0.05 . 1 . . . A 77 THR HA . 18504 1 599 . 1 1 77 77 THR HB H 1 4.618 0.05 . 1 . . . A 77 THR HB . 18504 1 600 . 1 1 77 77 THR HG21 H 1 1.087 0.05 . 1 . . . A 77 THR HG2 . 18504 1 601 . 1 1 77 77 THR HG22 H 1 1.087 0.05 . 1 . . . A 77 THR HG2 . 18504 1 602 . 1 1 77 77 THR HG23 H 1 1.087 0.05 . 1 . . . A 77 THR HG2 . 18504 1 603 . 1 1 77 77 THR C C 13 172.636 0.5 . 1 . . . A 77 THR C . 18504 1 604 . 1 1 77 77 THR CA C 13 58.87 0.5 . 1 . . . A 77 THR CA . 18504 1 605 . 1 1 77 77 THR CB C 13 69.935 0.5 . 1 . . . A 77 THR CB . 18504 1 606 . 1 1 77 77 THR N N 15 117.435 0.5 . 1 . . . A 77 THR N . 18504 1 607 . 1 1 78 78 PRO HB2 H 1 1.716 0.05 . 1 . . . A 78 PRO HB2 . 18504 1 608 . 1 1 78 78 PRO HB3 H 1 1.716 0.05 . 1 . . . A 78 PRO HB3 . 18504 1 609 . 1 1 78 78 PRO C C 13 179.328 0.5 . 1 . . . A 78 PRO C . 18504 1 610 . 1 1 78 78 PRO CA C 13 63.483 0.5 . 1 . . . A 78 PRO CA . 18504 1 611 . 1 1 78 78 PRO CB C 13 32.162 0.5 . 1 . . . A 78 PRO CB . 18504 1 612 . 1 1 79 79 ILE H H 1 8.227 0.05 . 1 . . . A 79 ILE H . 18504 1 613 . 1 1 79 79 ILE HA H 1 4.621 0.05 . 1 . . . A 79 ILE HA . 18504 1 614 . 1 1 79 79 ILE HG12 H 1 2.349 0.05 . 1 . . . A 79 ILE HG12 . 18504 1 615 . 1 1 79 79 ILE HG13 H 1 2.349 0.05 . 1 . . . A 79 ILE HG13 . 18504 1 616 . 1 1 79 79 ILE HD11 H 1 1.287 0.05 . 1 . . . A 79 ILE HD1 . 18504 1 617 . 1 1 79 79 ILE HD12 H 1 1.287 0.05 . 1 . . . A 79 ILE HD1 . 18504 1 618 . 1 1 79 79 ILE HD13 H 1 1.287 0.05 . 1 . . . A 79 ILE HD1 . 18504 1 619 . 1 1 79 79 ILE C C 13 177.212 0.5 . 1 . . . A 79 ILE C . 18504 1 620 . 1 1 79 79 ILE CA C 13 65.921 0.5 . 1 . . . A 79 ILE CA . 18504 1 621 . 1 1 79 79 ILE CB C 13 37.468 0.5 . 1 . . . A 79 ILE CB . 18504 1 622 . 1 1 79 79 ILE CG1 C 13 29.569 0.5 . 1 . . . A 79 ILE CG1 . 18504 1 623 . 1 1 79 79 ILE CD1 C 13 16.748 0.5 . 1 . . . A 79 ILE CD1 . 18504 1 624 . 1 1 79 79 ILE N N 15 120.707 0.5 . 1 . . . A 79 ILE N . 18504 1 625 . 1 1 80 80 ASN H H 1 8.466 0.05 . 1 . . . A 80 ASN H . 18504 1 626 . 1 1 80 80 ASN HA H 1 4.43 0.05 . 1 . . . A 80 ASN HA . 18504 1 627 . 1 1 80 80 ASN HB2 H 1 2.89 0.05 . 1 . . . A 80 ASN HB2 . 18504 1 628 . 1 1 80 80 ASN HB3 H 1 2.89 0.05 . 1 . . . A 80 ASN HB3 . 18504 1 629 . 1 1 80 80 ASN C C 13 178.172 0.5 . 1 . . . A 80 ASN C . 18504 1 630 . 1 1 80 80 ASN CA C 13 56.763 0.5 . 1 . . . A 80 ASN CA . 18504 1 631 . 1 1 80 80 ASN CB C 13 38.087 0.5 . 1 . . . A 80 ASN CB . 18504 1 632 . 1 1 80 80 ASN N N 15 118.168 0.5 . 1 . . . A 80 ASN N . 18504 1 633 . 1 1 81 81 PHE H H 1 9.152 0.05 . 1 . . . A 81 PHE H . 18504 1 634 . 1 1 81 81 PHE C C 13 174.016 0.5 . 1 . . . A 81 PHE C . 18504 1 635 . 1 1 81 81 PHE CA C 13 54.819 0.5 . 1 . . . A 81 PHE CA . 18504 1 636 . 1 1 81 81 PHE CB C 13 39.773 0.5 . 1 . . . A 81 PHE CB . 18504 1 637 . 1 1 81 81 PHE N N 15 129.059 0.5 . 1 . . . A 81 PHE N . 18504 1 638 . 1 1 82 82 LEU H H 1 9.147 0.05 . 1 . . . A 82 LEU H . 18504 1 639 . 1 1 82 82 LEU HA H 1 4.993 0.05 . 1 . . . A 82 LEU HA . 18504 1 640 . 1 1 82 82 LEU HB2 H 1 1.79 0.05 . 1 . . . A 82 LEU HB2 . 18504 1 641 . 1 1 82 82 LEU HB3 H 1 1.79 0.05 . 1 . . . A 82 LEU HB3 . 18504 1 642 . 1 1 82 82 LEU HG H 1 1.195 0.05 . 1 . . . A 82 LEU HG . 18504 1 643 . 1 1 82 82 LEU HD11 H 1 0.685 0.05 . 2 . . . A 82 LEU HD1 . 18504 1 644 . 1 1 82 82 LEU HD12 H 1 0.685 0.05 . 2 . . . A 82 LEU HD1 . 18504 1 645 . 1 1 82 82 LEU HD13 H 1 0.685 0.05 . 2 . . . A 82 LEU HD1 . 18504 1 646 . 1 1 82 82 LEU C C 13 173.695 0.5 . 1 . . . A 82 LEU C . 18504 1 647 . 1 1 82 82 LEU CA C 13 53.75 0.5 . 1 . . . A 82 LEU CA . 18504 1 648 . 1 1 82 82 LEU CB C 13 44.936 0.5 . 1 . . . A 82 LEU CB . 18504 1 649 . 1 1 82 82 LEU CG C 13 26.291 0.5 . 1 . . . A 82 LEU CG . 18504 1 650 . 1 1 82 82 LEU CD1 C 13 24.241 0.5 . 1 . . . A 82 LEU CD1 . 18504 1 651 . 1 1 82 82 LEU N N 15 124.64 0.5 . 1 . . . A 82 LEU N . 18504 1 652 . 1 1 83 83 CYS H H 1 9.065 0.05 . 1 . . . A 83 CYS H . 18504 1 653 . 1 1 83 83 CYS HA H 1 5.238 0.05 . 1 . . . A 83 CYS HA . 18504 1 654 . 1 1 83 83 CYS HB2 H 1 2.693 0.05 . 1 . . . A 83 CYS HB2 . 18504 1 655 . 1 1 83 83 CYS HB3 H 1 2.693 0.05 . 1 . . . A 83 CYS HB3 . 18504 1 656 . 1 1 83 83 CYS C C 13 173.733 0.5 . 1 . . . A 83 CYS C . 18504 1 657 . 1 1 83 83 CYS CA C 13 56.361 0.5 . 1 . . . A 83 CYS CA . 18504 1 658 . 1 1 83 83 CYS CB C 13 28.374 0.5 . 1 . . . A 83 CYS CB . 18504 1 659 . 1 1 83 83 CYS N N 15 126.066 0.5 . 1 . . . A 83 CYS N . 18504 1 660 . 1 1 84 84 ILE H H 1 9.426 0.05 . 1 . . . A 84 ILE H . 18504 1 661 . 1 1 84 84 ILE HA H 1 4.359 0.05 . 1 . . . A 84 ILE HA . 18504 1 662 . 1 1 84 84 ILE HB H 1 1.736 0.05 . 1 . . . A 84 ILE HB . 18504 1 663 . 1 1 84 84 ILE HG12 H 1 0.99 0.05 . 1 . . . A 84 ILE HG12 . 18504 1 664 . 1 1 84 84 ILE HG13 H 1 0.99 0.05 . 1 . . . A 84 ILE HG13 . 18504 1 665 . 1 1 84 84 ILE HD11 H 1 0.864 0.05 . 1 . . . A 84 ILE HD1 . 18504 1 666 . 1 1 84 84 ILE HD12 H 1 0.864 0.05 . 1 . . . A 84 ILE HD1 . 18504 1 667 . 1 1 84 84 ILE HD13 H 1 0.864 0.05 . 1 . . . A 84 ILE HD1 . 18504 1 668 . 1 1 84 84 ILE C C 13 174.745 0.5 . 1 . . . A 84 ILE C . 18504 1 669 . 1 1 84 84 ILE CA C 13 60.519 0.5 . 1 . . . A 84 ILE CA . 18504 1 670 . 1 1 84 84 ILE CB C 13 40.358 0.5 . 1 . . . A 84 ILE CB . 18504 1 671 . 1 1 84 84 ILE CG1 C 13 27.696 0.5 . 1 . . . A 84 ILE CG1 . 18504 1 672 . 1 1 84 84 ILE CD1 C 13 17.568 0.5 . 1 . . . A 84 ILE CD1 . 18504 1 673 . 1 1 84 84 ILE N N 15 126.11 0.5 . 1 . . . A 84 ILE N . 18504 1 674 . 1 1 85 85 PHE H H 1 8.337 0.05 . 1 . . . A 85 PHE H . 18504 1 675 . 1 1 85 85 PHE HA H 1 5.019 0.05 . 1 . . . A 85 PHE HA . 18504 1 676 . 1 1 85 85 PHE HD1 H 1 6.999 0.05 . 1 . . . A 85 PHE HD1 . 18504 1 677 . 1 1 85 85 PHE HD2 H 1 6.999 0.05 . 1 . . . A 85 PHE HD2 . 18504 1 678 . 1 1 85 85 PHE C C 13 175.358 0.5 . 1 . . . A 85 PHE C . 18504 1 679 . 1 1 85 85 PHE CA C 13 57.731 0.5 . 1 . . . A 85 PHE CA . 18504 1 680 . 1 1 85 85 PHE CB C 13 38.742 0.5 . 1 . . . A 85 PHE CB . 18504 1 681 . 1 1 85 85 PHE N N 15 126.315 0.5 . 1 . . . A 85 PHE N . 18504 1 682 . 1 1 86 86 ILE H H 1 9.161 0.05 . 1 . . . A 86 ILE H . 18504 1 683 . 1 1 86 86 ILE HA H 1 4.903 0.05 . 1 . . . A 86 ILE HA . 18504 1 684 . 1 1 86 86 ILE HB H 1 1.78 0.05 . 1 . . . A 86 ILE HB . 18504 1 685 . 1 1 86 86 ILE HG12 H 1 1.328 0.05 . 1 . . . A 86 ILE HG12 . 18504 1 686 . 1 1 86 86 ILE HG13 H 1 1.328 0.05 . 1 . . . A 86 ILE HG13 . 18504 1 687 . 1 1 86 86 ILE HG21 H 1 0.774 0.05 . 1 . . . A 86 ILE HG2 . 18504 1 688 . 1 1 86 86 ILE HG22 H 1 0.774 0.05 . 1 . . . A 86 ILE HG2 . 18504 1 689 . 1 1 86 86 ILE HG23 H 1 0.774 0.05 . 1 . . . A 86 ILE HG2 . 18504 1 690 . 1 1 86 86 ILE C C 13 173.967 0.5 . 1 . . . A 86 ILE C . 18504 1 691 . 1 1 86 86 ILE CA C 13 55.386 0.5 . 1 . . . A 86 ILE CA . 18504 1 692 . 1 1 86 86 ILE CB C 13 38.811 0.5 . 1 . . . A 86 ILE CB . 18504 1 693 . 1 1 86 86 ILE N N 15 126.561 0.5 . 1 . . . A 86 ILE N . 18504 1 694 . 1 1 87 87 PRO HA H 1 5.022 0.05 . 1 . . . A 87 PRO HA . 18504 1 695 . 1 1 87 87 PRO HB2 H 1 2.474 0.05 . 2 . . . A 87 PRO HB2 . 18504 1 696 . 1 1 87 87 PRO HB3 H 1 1.955 0.05 . 2 . . . A 87 PRO HB3 . 18504 1 697 . 1 1 87 87 PRO C C 13 177.938 0.5 . 1 . . . A 87 PRO C . 18504 1 698 . 1 1 87 87 PRO CA C 13 62.508 0.5 . 1 . . . A 87 PRO CA . 18504 1 699 . 1 1 87 87 PRO CB C 13 32.534 0.5 . 1 . . . A 87 PRO CB . 18504 1 700 . 1 1 87 87 PRO CG C 13 27.637 0.5 . 1 . . . A 87 PRO CG . 18504 1 701 . 1 1 88 88 THR H H 1 8.003 0.05 . 1 . . . A 88 THR H . 18504 1 702 . 1 1 88 88 THR HA H 1 4.486 0.05 . 1 . . . A 88 THR HA . 18504 1 703 . 1 1 88 88 THR HG21 H 1 1.181 0.05 . 1 . . . A 88 THR HG2 . 18504 1 704 . 1 1 88 88 THR HG22 H 1 1.181 0.05 . 1 . . . A 88 THR HG2 . 18504 1 705 . 1 1 88 88 THR HG23 H 1 1.181 0.05 . 1 . . . A 88 THR HG2 . 18504 1 706 . 1 1 88 88 THR C C 13 176.082 0.5 . 1 . . . A 88 THR C . 18504 1 707 . 1 1 88 88 THR CA C 13 60.306 0.5 . 1 . . . A 88 THR CA . 18504 1 708 . 1 1 88 88 THR CB C 13 66.727 0.5 . 1 . . . A 88 THR CB . 18504 1 709 . 1 1 88 88 THR N N 15 113.282 0.5 . 1 . . . A 88 THR N . 18504 1 710 . 1 1 89 89 LEU H H 1 7.822 0.05 . 1 . . . A 89 LEU H . 18504 1 711 . 1 1 89 89 LEU HA H 1 4.009 0.05 . 1 . . . A 89 LEU HA . 18504 1 712 . 1 1 89 89 LEU HG H 1 1.784 0.05 . 1 . . . A 89 LEU HG . 18504 1 713 . 1 1 89 89 LEU HD11 H 1 0.577 0.05 . 2 . . . A 89 LEU HD1 . 18504 1 714 . 1 1 89 89 LEU HD12 H 1 0.577 0.05 . 2 . . . A 89 LEU HD1 . 18504 1 715 . 1 1 89 89 LEU HD13 H 1 0.577 0.05 . 2 . . . A 89 LEU HD1 . 18504 1 716 . 1 1 89 89 LEU C C 13 175.776 0.5 . 1 . . . A 89 LEU C . 18504 1 717 . 1 1 89 89 LEU CA C 13 53.969 0.5 . 1 . . . A 89 LEU CA . 18504 1 718 . 1 1 89 89 LEU CB C 13 41.996 0.5 . 1 . . . A 89 LEU CB . 18504 1 719 . 1 1 89 89 LEU CG C 13 24.124 0.5 . 1 . . . A 89 LEU CG . 18504 1 720 . 1 1 89 89 LEU CD1 C 13 21.569 0.5 . 1 . . . A 89 LEU CD1 . 18504 1 721 . 1 1 89 89 LEU N N 15 122.317 0.5 . 1 . . . A 89 LEU N . 18504 1 722 . 1 1 90 90 PHE H H 1 7.11 0.05 . 1 . . . A 90 PHE H . 18504 1 723 . 1 1 90 90 PHE HA H 1 5.56 0.05 . 1 . . . A 90 PHE HA . 18504 1 724 . 1 1 90 90 PHE HB2 H 1 2.987 0.05 . 2 . . . A 90 PHE HB2 . 18504 1 725 . 1 1 90 90 PHE HB3 H 1 2.5 0.05 . 2 . . . A 90 PHE HB3 . 18504 1 726 . 1 1 90 90 PHE HD1 H 1 7.108 0.05 . 1 . . . A 90 PHE HD1 . 18504 1 727 . 1 1 90 90 PHE HD2 H 1 7.108 0.05 . 1 . . . A 90 PHE HD2 . 18504 1 728 . 1 1 90 90 PHE C C 13 175.869 0.5 . 1 . . . A 90 PHE C . 18504 1 729 . 1 1 90 90 PHE CA C 13 55.096 0.5 . 1 . . . A 90 PHE CA . 18504 1 730 . 1 1 90 90 PHE CB C 13 40.107 0.5 . 1 . . . A 90 PHE CB . 18504 1 731 . 1 1 90 90 PHE N N 15 114.801 0.5 . 1 . . . A 90 PHE N . 18504 1 732 . 1 1 91 91 ASP H H 1 9.852 0.05 . 1 . . . A 91 ASP H . 18504 1 733 . 1 1 91 91 ASP HA H 1 4.557 0.05 . 1 . . . A 91 ASP HA . 18504 1 734 . 1 1 91 91 ASP HB2 H 1 3.14 0.05 . 2 . . . A 91 ASP HB2 . 18504 1 735 . 1 1 91 91 ASP HB3 H 1 2.839 0.05 . 2 . . . A 91 ASP HB3 . 18504 1 736 . 1 1 91 91 ASP C C 13 175.684 0.5 . 1 . . . A 91 ASP C . 18504 1 737 . 1 1 91 91 ASP CA C 13 52.969 0.5 . 1 . . . A 91 ASP CA . 18504 1 738 . 1 1 91 91 ASP CB C 13 42.216 0.5 . 1 . . . A 91 ASP CB . 18504 1 739 . 1 1 91 91 ASP N N 15 127.244 0.5 . 1 . . . A 91 ASP N . 18504 1 740 . 1 1 92 92 MET H H 1 8.574 0.05 . 1 . . . A 92 MET H . 18504 1 741 . 1 1 92 92 MET HA H 1 4.278 0.05 . 1 . . . A 92 MET HA . 18504 1 742 . 1 1 92 92 MET HB2 H 1 2.68 0.05 . 2 . . . A 92 MET HB2 . 18504 1 743 . 1 1 92 92 MET HB3 H 1 2.111 0.05 . 2 . . . A 92 MET HB3 . 18504 1 744 . 1 1 92 92 MET C C 13 177.571 0.5 . 1 . . . A 92 MET C . 18504 1 745 . 1 1 92 92 MET CA C 13 58.815 0.5 . 1 . . . A 92 MET CA . 18504 1 746 . 1 1 92 92 MET CB C 13 32.01 0.5 . 1 . . . A 92 MET CB . 18504 1 747 . 1 1 92 92 MET N N 15 113.73 0.5 . 1 . . . A 92 MET N . 18504 1 748 . 1 1 93 93 ASN H H 1 8.576 0.05 . 1 . . . A 93 ASN H . 18504 1 749 . 1 1 93 93 ASN HA H 1 4.749 0.05 . 1 . . . A 93 ASN HA . 18504 1 750 . 1 1 93 93 ASN HB2 H 1 2.971 0.05 . 1 . . . A 93 ASN HB2 . 18504 1 751 . 1 1 93 93 ASN HB3 H 1 2.971 0.05 . 1 . . . A 93 ASN HB3 . 18504 1 752 . 1 1 93 93 ASN C C 13 176.3 0.5 . 1 . . . A 93 ASN C . 18504 1 753 . 1 1 93 93 ASN CA C 13 55.193 0.5 . 1 . . . A 93 ASN CA . 18504 1 754 . 1 1 93 93 ASN CB C 13 39.426 0.5 . 1 . . . A 93 ASN CB . 18504 1 755 . 1 1 93 93 ASN N N 15 115.175 0.5 . 1 . . . A 93 ASN N . 18504 1 756 . 1 1 94 94 ASN H H 1 8.049 0.05 . 1 . . . A 94 ASN H . 18504 1 757 . 1 1 94 94 ASN HA H 1 5.191 0.05 . 1 . . . A 94 ASN HA . 18504 1 758 . 1 1 94 94 ASN C C 13 177.23 0.5 . 1 . . . A 94 ASN C . 18504 1 759 . 1 1 94 94 ASN CA C 13 52.631 0.5 . 1 . . . A 94 ASN CA . 18504 1 760 . 1 1 94 94 ASN CB C 13 38.093 0.5 . 1 . . . A 94 ASN CB . 18504 1 761 . 1 1 94 94 ASN N N 15 119.005 0.5 . 1 . . . A 94 ASN N . 18504 1 762 . 1 1 95 95 MET H H 1 7.489 0.05 . 1 . . . A 95 MET H . 18504 1 763 . 1 1 95 95 MET HA H 1 4.048 0.05 . 1 . . . A 95 MET HA . 18504 1 764 . 1 1 95 95 MET HB2 H 1 1.911 0.05 . 1 . . . A 95 MET HB2 . 18504 1 765 . 1 1 95 95 MET HB3 H 1 1.911 0.05 . 1 . . . A 95 MET HB3 . 18504 1 766 . 1 1 95 95 MET HG2 H 1 2.75 0.05 . 1 . . . A 95 MET HG2 . 18504 1 767 . 1 1 95 95 MET HG3 H 1 2.75 0.05 . 1 . . . A 95 MET HG3 . 18504 1 768 . 1 1 95 95 MET C C 13 178.005 0.5 . 1 . . . A 95 MET C . 18504 1 769 . 1 1 95 95 MET CA C 13 58.275 0.5 . 1 . . . A 95 MET CA . 18504 1 770 . 1 1 95 95 MET CB C 13 32.327 0.5 . 1 . . . A 95 MET CB . 18504 1 771 . 1 1 95 95 MET N N 15 117.771 0.5 . 1 . . . A 95 MET N . 18504 1 772 . 1 1 96 96 ASP H H 1 7.777 0.05 . 1 . . . A 96 ASP H . 18504 1 773 . 1 1 96 96 ASP HA H 1 4.603 0.05 . 1 . . . A 96 ASP HA . 18504 1 774 . 1 1 96 96 ASP HB2 H 1 2.563 0.05 . 1 . . . A 96 ASP HB2 . 18504 1 775 . 1 1 96 96 ASP HB3 H 1 2.563 0.05 . 1 . . . A 96 ASP HB3 . 18504 1 776 . 1 1 96 96 ASP C C 13 175.593 0.5 . 1 . . . A 96 ASP C . 18504 1 777 . 1 1 96 96 ASP CA C 13 54.94 0.5 . 1 . . . A 96 ASP CA . 18504 1 778 . 1 1 96 96 ASP CB C 13 39.445 0.5 . 1 . . . A 96 ASP CB . 18504 1 779 . 1 1 96 96 ASP N N 15 115.629 0.5 . 1 . . . A 96 ASP N . 18504 1 780 . 1 1 97 97 LEU H H 1 8.027 0.05 . 1 . . . A 97 LEU H . 18504 1 781 . 1 1 97 97 LEU HA H 1 4.617 0.05 . 1 . . . A 97 LEU HA . 18504 1 782 . 1 1 97 97 LEU HB2 H 1 2.7 0.05 . 1 . . . A 97 LEU HB2 . 18504 1 783 . 1 1 97 97 LEU HB3 H 1 2.7 0.05 . 1 . . . A 97 LEU HB3 . 18504 1 784 . 1 1 97 97 LEU C C 13 174.835 0.5 . 1 . . . A 97 LEU C . 18504 1 785 . 1 1 97 97 LEU CA C 13 54.433 0.5 . 1 . . . A 97 LEU CA . 18504 1 786 . 1 1 97 97 LEU CB C 13 39.082 0.5 . 1 . . . A 97 LEU CB . 18504 1 787 . 1 1 97 97 LEU N N 15 116.343 0.5 . 1 . . . A 97 LEU N . 18504 1 788 . 1 1 98 98 LEU H H 1 7.798 0.05 . 1 . . . A 98 LEU H . 18504 1 789 . 1 1 98 98 LEU HA H 1 3.364 0.05 . 1 . . . A 98 LEU HA . 18504 1 790 . 1 1 98 98 LEU HB2 H 1 1.41 0.05 . 1 . . . A 98 LEU HB2 . 18504 1 791 . 1 1 98 98 LEU HB3 H 1 1.41 0.05 . 1 . . . A 98 LEU HB3 . 18504 1 792 . 1 1 98 98 LEU HD11 H 1 0.312 0.05 . 2 . . . A 98 LEU HD1 . 18504 1 793 . 1 1 98 98 LEU HD12 H 1 0.312 0.05 . 2 . . . A 98 LEU HD1 . 18504 1 794 . 1 1 98 98 LEU HD13 H 1 0.312 0.05 . 2 . . . A 98 LEU HD1 . 18504 1 795 . 1 1 98 98 LEU C C 13 177.586 0.5 . 1 . . . A 98 LEU C . 18504 1 796 . 1 1 98 98 LEU CA C 13 57.219 0.5 . 1 . . . A 98 LEU CA . 18504 1 797 . 1 1 98 98 LEU CB C 13 39.1 0.5 . 1 . . . A 98 LEU CB . 18504 1 798 . 1 1 98 98 LEU CG C 13 25.003 0.5 . 1 . . . A 98 LEU CG . 18504 1 799 . 1 1 98 98 LEU N N 15 118.769 0.5 . 1 . . . A 98 LEU N . 18504 1 800 . 1 1 99 99 LYS H H 1 7.603 0.05 . 1 . . . A 99 LYS H . 18504 1 801 . 1 1 99 99 LYS HA H 1 3.416 0.05 . 1 . . . A 99 LYS HA . 18504 1 802 . 1 1 99 99 LYS HB2 H 1 1.783 0.05 . 1 . . . A 99 LYS HB2 . 18504 1 803 . 1 1 99 99 LYS HB3 H 1 1.783 0.05 . 1 . . . A 99 LYS HB3 . 18504 1 804 . 1 1 99 99 LYS C C 13 177.639 0.5 . 1 . . . A 99 LYS C . 18504 1 805 . 1 1 99 99 LYS CA C 13 60.833 0.5 . 1 . . . A 99 LYS CA . 18504 1 806 . 1 1 99 99 LYS CB C 13 32.044 0.5 . 1 . . . A 99 LYS CB . 18504 1 807 . 1 1 99 99 LYS CG C 13 26.466 0.5 . 1 . . . A 99 LYS CG . 18504 1 808 . 1 1 99 99 LYS CD C 13 29.51 0.5 . 1 . . . A 99 LYS CD . 18504 1 809 . 1 1 99 99 LYS N N 15 117.567 0.5 . 1 . . . A 99 LYS N . 18504 1 810 . 1 1 100 100 GLN H H 1 7.625 0.05 . 1 . . . A 100 GLN H . 18504 1 811 . 1 1 100 100 GLN HA H 1 3.812 0.05 . 1 . . . A 100 GLN HA . 18504 1 812 . 1 1 100 100 GLN HB2 H 1 2.127 0.05 . 1 . . . A 100 GLN HB2 . 18504 1 813 . 1 1 100 100 GLN HB3 H 1 2.127 0.05 . 1 . . . A 100 GLN HB3 . 18504 1 814 . 1 1 100 100 GLN C C 13 178.165 0.5 . 1 . . . A 100 GLN C . 18504 1 815 . 1 1 100 100 GLN CA C 13 58.784 0.5 . 1 . . . A 100 GLN CA . 18504 1 816 . 1 1 100 100 GLN CB C 13 27.483 0.5 . 1 . . . A 100 GLN CB . 18504 1 817 . 1 1 100 100 GLN CG C 13 33.784 0.5 . 1 . . . A 100 GLN CG . 18504 1 818 . 1 1 100 100 GLN N N 15 114.564 0.5 . 1 . . . A 100 GLN N . 18504 1 819 . 1 1 101 101 ALA H H 1 7.355 0.05 . 1 . . . A 101 ALA H . 18504 1 820 . 1 1 101 101 ALA HA H 1 3.288 0.05 . 1 . . . A 101 ALA HA . 18504 1 821 . 1 1 101 101 ALA HB1 H 1 1.341 0.05 . 1 . . . A 101 ALA HB . 18504 1 822 . 1 1 101 101 ALA HB2 H 1 1.341 0.05 . 1 . . . A 101 ALA HB . 18504 1 823 . 1 1 101 101 ALA HB3 H 1 1.341 0.05 . 1 . . . A 101 ALA HB . 18504 1 824 . 1 1 101 101 ALA C C 13 178.865 0.5 . 1 . . . A 101 ALA C . 18504 1 825 . 1 1 101 101 ALA CA C 13 54.964 0.5 . 1 . . . A 101 ALA CA . 18504 1 826 . 1 1 101 101 ALA CB C 13 17.861 0.5 . 1 . . . A 101 ALA CB . 18504 1 827 . 1 1 101 101 ALA N N 15 121.499 0.5 . 1 . . . A 101 ALA N . 18504 1 828 . 1 1 102 102 LEU H H 1 7.941 0.05 . 1 . . . A 102 LEU H . 18504 1 829 . 1 1 102 102 LEU HA H 1 4.766 0.05 . 1 . . . A 102 LEU HA . 18504 1 830 . 1 1 102 102 LEU HB2 H 1 2.726 0.05 . 1 . . . A 102 LEU HB2 . 18504 1 831 . 1 1 102 102 LEU HB3 H 1 2.726 0.05 . 1 . . . A 102 LEU HB3 . 18504 1 832 . 1 1 102 102 LEU HD11 H 1 0.897 0.05 . 2 . . . A 102 LEU HD1 . 18504 1 833 . 1 1 102 102 LEU HD12 H 1 0.897 0.05 . 2 . . . A 102 LEU HD1 . 18504 1 834 . 1 1 102 102 LEU HD13 H 1 0.897 0.05 . 2 . . . A 102 LEU HD1 . 18504 1 835 . 1 1 102 102 LEU C C 13 179.324 0.5 . 1 . . . A 102 LEU C . 18504 1 836 . 1 1 102 102 LEU CA C 13 57.496 0.5 . 1 . . . A 102 LEU CA . 18504 1 837 . 1 1 102 102 LEU CB C 13 41.728 0.5 . 1 . . . A 102 LEU CB . 18504 1 838 . 1 1 102 102 LEU N N 15 115.061 0.5 . 1 . . . A 102 LEU N . 18504 1 839 . 1 1 103 103 LEU H H 1 8.266 0.05 . 1 . . . A 103 LEU H . 18504 1 840 . 1 1 103 103 LEU HA H 1 4.837 0.05 . 1 . . . A 103 LEU HA . 18504 1 841 . 1 1 103 103 LEU HG H 1 1.554 0.05 . 1 . . . A 103 LEU HG . 18504 1 842 . 1 1 103 103 LEU HD11 H 1 0.655 0.05 . 2 . . . A 103 LEU HD1 . 18504 1 843 . 1 1 103 103 LEU HD12 H 1 0.655 0.05 . 2 . . . A 103 LEU HD1 . 18504 1 844 . 1 1 103 103 LEU HD13 H 1 0.655 0.05 . 2 . . . A 103 LEU HD1 . 18504 1 845 . 1 1 103 103 LEU C C 13 178.5 0.5 . 1 . . . A 103 LEU C . 18504 1 846 . 1 1 103 103 LEU CA C 13 54.889 0.5 . 1 . . . A 103 LEU CA . 18504 1 847 . 1 1 103 103 LEU CB C 13 43.766 0.5 . 1 . . . A 103 LEU CB . 18504 1 848 . 1 1 103 103 LEU N N 15 115.92 0.5 . 1 . . . A 103 LEU N . 18504 1 849 . 1 1 105 105 LEU HA H 1 4.635 0.05 . 1 . . . A 105 LEU HA . 18504 1 850 . 1 1 105 105 LEU HB2 H 1 2.843 0.05 . 1 . . . A 105 LEU HB2 . 18504 1 851 . 1 1 105 105 LEU HB3 H 1 2.843 0.05 . 1 . . . A 105 LEU HB3 . 18504 1 852 . 1 1 105 105 LEU HD11 H 1 0.958 0.05 . 2 . . . A 105 LEU HD1 . 18504 1 853 . 1 1 105 105 LEU HD12 H 1 0.958 0.05 . 2 . . . A 105 LEU HD1 . 18504 1 854 . 1 1 105 105 LEU HD13 H 1 0.958 0.05 . 2 . . . A 105 LEU HD1 . 18504 1 855 . 1 1 105 105 LEU C C 13 175.743 0.5 . 1 . . . A 105 LEU C . 18504 1 856 . 1 1 105 105 LEU CA C 13 58.097 0.5 . 1 . . . A 105 LEU CA . 18504 1 857 . 1 1 105 105 LEU CB C 13 38.778 0.5 . 1 . . . A 105 LEU CB . 18504 1 858 . 1 1 106 106 HIS H H 1 8.252 0.05 . 1 . . . A 106 HIS H . 18504 1 859 . 1 1 106 106 HIS HA H 1 4.266 0.05 . 1 . . . A 106 HIS HA . 18504 1 860 . 1 1 106 106 HIS HB2 H 1 2.272 0.05 . 2 . . . A 106 HIS HB2 . 18504 1 861 . 1 1 106 106 HIS HB3 H 1 1.911 0.05 . 2 . . . A 106 HIS HB3 . 18504 1 862 . 1 1 106 106 HIS CA C 13 57.114 0.5 . 1 . . . A 106 HIS CA . 18504 1 863 . 1 1 106 106 HIS CB C 13 30.125 0.5 . 1 . . . A 106 HIS CB . 18504 1 864 . 1 1 106 106 HIS N N 15 122.167 0.5 . 1 . . . A 106 HIS N . 18504 1 865 . 1 1 107 107 ASN C C 13 179.694 0.5 . 1 . . . A 107 ASN C . 18504 1 866 . 1 1 107 107 ASN CA C 13 58.331 0.5 . 1 . . . A 107 ASN CA . 18504 1 867 . 1 1 107 107 ASN CB C 13 41.997 0.5 . 1 . . . A 107 ASN CB . 18504 1 868 . 1 1 108 108 ASP H H 1 8.174 0.05 . 1 . . . A 108 ASP H . 18504 1 869 . 1 1 108 108 ASP C C 13 179.328 0.5 . 1 . . . A 108 ASP C . 18504 1 870 . 1 1 108 108 ASP CA C 13 57.689 0.5 . 1 . . . A 108 ASP CA . 18504 1 871 . 1 1 108 108 ASP CB C 13 42.04 0.5 . 1 . . . A 108 ASP CB . 18504 1 872 . 1 1 108 108 ASP N N 15 122.462 0.5 . 1 . . . A 108 ASP N . 18504 1 873 . 1 1 109 109 LEU H H 1 8.38 0.05 . 1 . . . A 109 LEU H . 18504 1 874 . 1 1 109 109 LEU HA H 1 4.852 0.05 . 1 . . . A 109 LEU HA . 18504 1 875 . 1 1 109 109 LEU HB2 H 1 1.54 0.05 . 1 . . . A 109 LEU HB2 . 18504 1 876 . 1 1 109 109 LEU HB3 H 1 1.54 0.05 . 1 . . . A 109 LEU HB3 . 18504 1 877 . 1 1 109 109 LEU HD11 H 1 0.559 0.05 . 2 . . . A 109 LEU HD1 . 18504 1 878 . 1 1 109 109 LEU HD12 H 1 0.559 0.05 . 2 . . . A 109 LEU HD1 . 18504 1 879 . 1 1 109 109 LEU HD13 H 1 0.559 0.05 . 2 . . . A 109 LEU HD1 . 18504 1 880 . 1 1 109 109 LEU C C 13 178.51 0.5 . 1 . . . A 109 LEU C . 18504 1 881 . 1 1 109 109 LEU CA C 13 55.154 0.5 . 1 . . . A 109 LEU CA . 18504 1 882 . 1 1 109 109 LEU CB C 13 44.148 0.5 . 1 . . . A 109 LEU CB . 18504 1 883 . 1 1 109 109 LEU CG C 13 26.466 0.5 . 1 . . . A 109 LEU CG . 18504 1 884 . 1 1 109 109 LEU CD1 C 13 24.007 0.5 . 1 . . . A 109 LEU CD1 . 18504 1 885 . 1 1 109 109 LEU N N 15 115.664 0.5 . 1 . . . A 109 LEU N . 18504 1 886 . 1 1 110 110 HIS H H 1 8.518 0.05 . 1 . . . A 110 HIS H . 18504 1 887 . 1 1 110 110 HIS HA H 1 3.91 0.05 . 1 . . . A 110 HIS HA . 18504 1 888 . 1 1 110 110 HIS C C 13 176.152 0.5 . 1 . . . A 110 HIS C . 18504 1 889 . 1 1 110 110 HIS CA C 13 61.012 0.5 . 1 . . . A 110 HIS CA . 18504 1 890 . 1 1 110 110 HIS CB C 13 28.112 0.5 . 1 . . . A 110 HIS CB . 18504 1 891 . 1 1 110 110 HIS N N 15 118.905 0.5 . 1 . . . A 110 HIS N . 18504 1 892 . 1 1 111 111 GLU H H 1 8.018 0.05 . 1 . . . A 111 GLU H . 18504 1 893 . 1 1 111 111 GLU HA H 1 3.731 0.05 . 1 . . . A 111 GLU HA . 18504 1 894 . 1 1 111 111 GLU C C 13 176.596 0.5 . 1 . . . A 111 GLU C . 18504 1 895 . 1 1 111 111 GLU CA C 13 58.394 0.5 . 1 . . . A 111 GLU CA . 18504 1 896 . 1 1 111 111 GLU CB C 13 29.044 0.5 . 1 . . . A 111 GLU CB . 18504 1 897 . 1 1 111 111 GLU CG C 13 36.126 0.5 . 1 . . . A 111 GLU CG . 18504 1 898 . 1 1 111 111 GLU N N 15 117.923 0.5 . 1 . . . A 111 GLU N . 18504 1 899 . 1 1 112 112 TYR H H 1 7.905 0.05 . 1 . . . A 112 TYR H . 18504 1 900 . 1 1 112 112 TYR HA H 1 4.437 0.05 . 1 . . . A 112 TYR HA . 18504 1 901 . 1 1 112 112 TYR HB2 H 1 3.245 0.05 . 2 . . . A 112 TYR HB2 . 18504 1 902 . 1 1 112 112 TYR HB3 H 1 2.521 0.05 . 2 . . . A 112 TYR HB3 . 18504 1 903 . 1 1 112 112 TYR HD1 H 1 6.959 0.05 . 1 . . . A 112 TYR HD1 . 18504 1 904 . 1 1 112 112 TYR HD2 H 1 6.959 0.05 . 1 . . . A 112 TYR HD2 . 18504 1 905 . 1 1 112 112 TYR C C 13 174.448 0.5 . 1 . . . A 112 TYR C . 18504 1 906 . 1 1 112 112 TYR CA C 13 57.772 0.5 . 1 . . . A 112 TYR CA . 18504 1 907 . 1 1 112 112 TYR CB C 13 39.987 0.5 . 1 . . . A 112 TYR CB . 18504 1 908 . 1 1 112 112 TYR N N 15 114.607 0.5 . 1 . . . A 112 TYR N . 18504 1 909 . 1 1 113 113 VAL H H 1 6.976 0.05 . 1 . . . A 113 VAL H . 18504 1 910 . 1 1 113 113 VAL HA H 1 4.106 0.05 . 1 . . . A 113 VAL HA . 18504 1 911 . 1 1 113 113 VAL HB H 1 1.684 0.05 . 1 . . . A 113 VAL HB . 18504 1 912 . 1 1 113 113 VAL HG11 H 1 0.623 0.05 . 2 . . . A 113 VAL HG1 . 18504 1 913 . 1 1 113 113 VAL HG12 H 1 0.623 0.05 . 2 . . . A 113 VAL HG1 . 18504 1 914 . 1 1 113 113 VAL HG13 H 1 0.623 0.05 . 2 . . . A 113 VAL HG1 . 18504 1 915 . 1 1 113 113 VAL C C 13 175.134 0.5 . 1 . . . A 113 VAL C . 18504 1 916 . 1 1 113 113 VAL CA C 13 62.687 0.5 . 1 . . . A 113 VAL CA . 18504 1 917 . 1 1 113 113 VAL CB C 13 34.228 0.5 . 1 . . . A 113 VAL CB . 18504 1 918 . 1 1 113 113 VAL CG1 C 13 22.565 0.5 . 1 . . . A 113 VAL CG1 . 18504 1 919 . 1 1 113 113 VAL N N 15 118.003 0.5 . 1 . . . A 113 VAL N . 18504 1 920 . 1 1 114 114 GLU H H 1 9.461 0.05 . 1 . . . A 114 GLU H . 18504 1 921 . 1 1 114 114 GLU HA H 1 4.494 0.05 . 1 . . . A 114 GLU HA . 18504 1 922 . 1 1 114 114 GLU HB2 H 1 2.062 0.05 . 2 . . . A 114 GLU HB2 . 18504 1 923 . 1 1 114 114 GLU HB3 H 1 1.752 0.05 . 2 . . . A 114 GLU HB3 . 18504 1 924 . 1 1 114 114 GLU C C 13 175.879 0.5 . 1 . . . A 114 GLU C . 18504 1 925 . 1 1 114 114 GLU CA C 13 56.88 0.5 . 1 . . . A 114 GLU CA . 18504 1 926 . 1 1 114 114 GLU CB C 13 31.81 0.5 . 1 . . . A 114 GLU CB . 18504 1 927 . 1 1 114 114 GLU N N 15 125.345 0.5 . 1 . . . A 114 GLU N . 18504 1 928 . 1 1 122 122 TYR HA H 1 4.07 0.05 . 1 . . . . 122 TYR HA . 18504 1 929 . 1 1 122 122 TYR HB2 H 1 2.233 0.05 . 2 . . . . 122 TYR HB2 . 18504 1 930 . 1 1 122 122 TYR HB3 H 1 1.779 0.05 . 2 . . . . 122 TYR HB3 . 18504 1 931 . 1 1 122 122 TYR HD1 H 1 7.189 0.05 . 1 . . . . 122 TYR HD1 . 18504 1 932 . 1 1 122 122 TYR HD2 H 1 7.189 0.05 . 1 . . . . 122 TYR HD2 . 18504 1 933 . 1 1 122 122 TYR HE1 H 1 6.782 0.05 . 1 . . . . 122 TYR HE1 . 18504 1 934 . 1 1 122 122 TYR HE2 H 1 6.782 0.05 . 1 . . . . 122 TYR HE2 . 18504 1 935 . 1 1 122 122 TYR C C 13 175.991 0.5 . 1 . . . . 122 TYR C . 18504 1 936 . 1 1 122 122 TYR CA C 13 62.195 0.5 . 1 . . . . 122 TYR CA . 18504 1 937 . 1 1 122 122 TYR CB C 13 38.307 0.5 . 1 . . . . 122 TYR CB . 18504 1 938 . 1 1 123 123 HIS H H 1 8.075 0.05 . 1 . . . . 123 HIS HN . 18504 1 939 . 1 1 123 123 HIS HA H 1 4.203 0.05 . 1 . . . . 123 HIS HA . 18504 1 940 . 1 1 123 123 HIS CA C 13 56.715 0.5 . 1 . . . . 123 HIS CA . 18504 1 941 . 1 1 123 123 HIS CB C 13 32.74 0.5 . 1 . . . . 123 HIS CB . 18504 1 942 . 1 1 123 123 HIS N N 15 124.549 0.5 . 1 . . . . 123 HIS N . 18504 1 943 . 1 1 124 124 THR HA H 1 4.274 0.05 . 1 . . . . 124 THR HA . 18504 1 944 . 1 1 124 124 THR C C 13 180.323 0.5 . 1 . . . . 124 THR C . 18504 1 945 . 1 1 124 124 THR CA C 13 62.254 0.5 . 1 . . . . 124 THR CA . 18504 1 946 . 1 1 124 124 THR CB C 13 70.157 0.5 . 1 . . . . 124 THR CB . 18504 1 947 . 1 1 125 125 TYR H H 1 8.112 0.05 . 1 . . . . 125 TYR HN . 18504 1 948 . 1 1 125 125 TYR HA H 1 4.132 0.05 . 1 . . . . 125 TYR HA . 18504 1 949 . 1 1 125 125 TYR HB2 H 1 1.835 0.05 . 1 . . . . 125 TYR HB2 . 18504 1 950 . 1 1 125 125 TYR HB3 H 1 1.835 0.05 . 1 . . . . 125 TYR HB3 . 18504 1 951 . 1 1 125 125 TYR HD1 H 1 7.258 0.05 . 1 . . . . 125 TYR HD1 . 18504 1 952 . 1 1 125 125 TYR HD2 H 1 7.258 0.05 . 1 . . . . 125 TYR HD2 . 18504 1 953 . 1 1 125 125 TYR HE1 H 1 6.91 0.05 . 1 . . . . 125 TYR HE1 . 18504 1 954 . 1 1 125 125 TYR HE2 H 1 6.91 0.05 . 1 . . . . 125 TYR HE2 . 18504 1 955 . 1 1 125 125 TYR C C 13 175.172 0.5 . 1 . . . . 125 TYR C . 18504 1 956 . 1 1 125 125 TYR CA C 13 61.575 0.5 . 1 . . . . 125 TYR CA . 18504 1 957 . 1 1 125 125 TYR CB C 13 38.86 0.5 . 1 . . . . 125 TYR CB . 18504 1 958 . 1 1 125 125 TYR N N 15 121.992 0.5 . 1 . . . . 125 TYR N . 18504 1 959 . 1 1 126 126 GLU H H 1 7.835 0.05 . 1 . . . . 126 GLU HN . 18504 1 960 . 1 1 126 126 GLU C C 13 179.388 0.5 . 1 . . . . 126 GLU C . 18504 1 961 . 1 1 126 126 GLU CA C 13 57.106 0.5 . 1 . . . . 126 GLU CA . 18504 1 962 . 1 1 126 126 GLU CB C 13 30.624 0.5 . 1 . . . . 126 GLU CB . 18504 1 963 . 1 1 126 126 GLU CG C 13 36.477 0.5 . 1 . . . . 126 GLU CG . 18504 1 964 . 1 1 126 126 GLU N N 15 127.245 0.5 . 1 . . . . 126 GLU N . 18504 1 965 . 1 1 127 127 ALA H H 1 8.091 0.05 . 1 . . . . 127 ALA HN . 18504 1 966 . 1 1 127 127 ALA HA H 1 4.215 0.05 . 1 . . . . 127 ALA HA . 18504 1 967 . 1 1 127 127 ALA HB1 H 1 1.35 0.05 . 1 . . . . 127 ALA HB . 18504 1 968 . 1 1 127 127 ALA HB2 H 1 1.35 0.05 . 1 . . . . 127 ALA HB . 18504 1 969 . 1 1 127 127 ALA HB3 H 1 1.35 0.05 . 1 . . . . 127 ALA HB . 18504 1 970 . 1 1 127 127 ALA C C 13 177.573 0.5 . 1 . . . . 127 ALA C . 18504 1 971 . 1 1 127 127 ALA CA C 13 53.203 0.5 . 1 . . . . 127 ALA CA . 18504 1 972 . 1 1 127 127 ALA CB C 13 19.267 0.5 . 1 . . . . 127 ALA CB . 18504 1 973 . 1 1 127 127 ALA N N 15 123.948 0.5 . 1 . . . . 127 ALA N . 18504 1 974 . 1 1 128 128 ASP H H 1 8.15 0.05 . 1 . . . . 128 ASP HN . 18504 1 975 . 1 1 128 128 ASP HA H 1 4.531 0.05 . 1 . . . . 128 ASP HA . 18504 1 976 . 1 1 128 128 ASP HB2 H 1 2.628 0.05 . 1 . . . . 128 ASP HB2 . 18504 1 977 . 1 1 128 128 ASP HB3 H 1 2.628 0.05 . 1 . . . . 128 ASP HB3 . 18504 1 978 . 1 1 128 128 ASP C C 13 176.104 0.5 . 1 . . . . 128 ASP C . 18504 1 979 . 1 1 128 128 ASP CA C 13 55.037 0.5 . 1 . . . . 128 ASP CA . 18504 1 980 . 1 1 128 128 ASP CB C 13 41.123 0.5 . 1 . . . . 128 ASP CB . 18504 1 981 . 1 1 128 128 ASP N N 15 118.462 0.5 . 1 . . . . 128 ASP N . 18504 1 982 . 1 1 129 129 TYR H H 1 7.813 0.05 . 1 . . . . 129 TYR HN . 18504 1 983 . 1 1 129 129 TYR HA H 1 4.508 0.05 . 1 . . . . 129 TYR HA . 18504 1 984 . 1 1 129 129 TYR HB2 H 1 2.993 0.05 . 1 . . . . 129 TYR HB2 . 18504 1 985 . 1 1 129 129 TYR HB3 H 1 2.993 0.05 . 1 . . . . 129 TYR HB3 . 18504 1 986 . 1 1 129 129 TYR HD1 H 1 7.023 0.05 . 1 . . . . 129 TYR HD1 . 18504 1 987 . 1 1 129 129 TYR HD2 H 1 7.023 0.05 . 1 . . . . 129 TYR HD2 . 18504 1 988 . 1 1 129 129 TYR HE1 H 1 6.764 0.05 . 1 . . . . 129 TYR HE1 . 18504 1 989 . 1 1 129 129 TYR HE2 H 1 6.764 0.05 . 1 . . . . 129 TYR HE2 . 18504 1 990 . 1 1 129 129 TYR C C 13 175.625 0.5 . 1 . . . . 129 TYR C . 18504 1 991 . 1 1 129 129 TYR CA C 13 58.296 0.5 . 1 . . . . 129 TYR CA . 18504 1 992 . 1 1 129 129 TYR CB C 13 38.684 0.5 . 1 . . . . 129 TYR CB . 18504 1 993 . 1 1 129 129 TYR N N 15 119.646 0.5 . 1 . . . . 129 TYR N . 18504 1 994 . 1 1 130 130 ILE H H 1 7.802 0.05 . 1 . . . . 130 ILE HN . 18504 1 995 . 1 1 130 130 ILE HA H 1 4.215 0.05 . 1 . . . . 130 ILE HA . 18504 1 996 . 1 1 130 130 ILE C C 13 176.159 0.5 . 1 . . . . 130 ILE C . 18504 1 997 . 1 1 130 130 ILE CA C 13 61.477 0.5 . 1 . . . . 130 ILE CA . 18504 1 998 . 1 1 130 130 ILE CB C 13 38.528 0.5 . 1 . . . . 130 ILE CB . 18504 1 999 . 1 1 130 130 ILE CG1 C 13 27.461 0.5 . 1 . . . . 130 ILE CG1 . 18504 1 1000 . 1 1 130 130 ILE CG2 C 13 17.216 0.5 . 1 . . . . 130 ILE CG2 . 18504 1 1001 . 1 1 130 130 ILE N N 15 122.284 0.5 . 1 . . . . 130 ILE N . 18504 1 1002 . 1 1 131 131 LYS H H 1 8.053 0.05 . 1 . . . . 131 LYS HN . 18504 1 1003 . 1 1 131 131 LYS HA H 1 4.222 0.05 . 1 . . . . 131 LYS HA . 18504 1 1004 . 1 1 131 131 LYS HB2 H 1 1.807 0.05 . 1 . . . . 131 LYS HB2 . 18504 1 1005 . 1 1 131 131 LYS HB3 H 1 1.807 0.05 . 1 . . . . 131 LYS HB3 . 18504 1 1006 . 1 1 131 131 LYS C C 13 176.825 0.5 . 1 . . . . 131 LYS C . 18504 1 1007 . 1 1 131 131 LYS CA C 13 56.93 0.5 . 1 . . . . 131 LYS CA . 18504 1 1008 . 1 1 131 131 LYS CB C 13 33.161 0.5 . 1 . . . . 131 LYS CB . 18504 1 1009 . 1 1 131 131 LYS CG C 13 24.768 0.5 . 1 . . . . 131 LYS CG . 18504 1 1010 . 1 1 131 131 LYS CD C 13 29.628 0.5 . 1 . . . . 131 LYS CD . 18504 1 1011 . 1 1 131 131 LYS CE C 13 42.097 0.5 . 1 . . . . 131 LYS CE . 18504 1 1012 . 1 1 131 131 LYS N N 15 123.816 0.5 . 1 . . . . 131 LYS N . 18504 1 1013 . 1 1 132 132 GLU H H 1 8.296 0.05 . 1 . . . . 132 GLU HN . 18504 1 1014 . 1 1 132 132 GLU HA H 1 4.252 0.05 . 1 . . . . 132 GLU HA . 18504 1 1015 . 1 1 132 132 GLU C C 13 175.827 0.5 . 1 . . . . 132 GLU C . 18504 1 1016 . 1 1 132 132 GLU CA C 13 56.962 0.5 . 1 . . . . 132 GLU CA . 18504 1 1017 . 1 1 132 132 GLU CB C 13 29.768 0.5 . 1 . . . . 132 GLU CB . 18504 1 1018 . 1 1 132 132 GLU N N 15 121.558 0.5 . 1 . . . . 132 GLU N . 18504 1 1019 . 1 1 133 133 GLN H H 1 8.259 0.05 . 1 . . . . 133 GLN HN . 18504 1 1020 . 1 1 133 133 GLN HA H 1 4.249 0.05 . 1 . . . . 133 GLN HA . 18504 1 1021 . 1 1 133 133 GLN C C 13 176.708 0.5 . 1 . . . . 133 GLN C . 18504 1 1022 . 1 1 133 133 GLN CA C 13 56.592 0.5 . 1 . . . . 133 GLN CA . 18504 1 1023 . 1 1 133 133 GLN CB C 13 29.645 0.5 . 1 . . . . 133 GLN CB . 18504 1 1024 . 1 1 133 133 GLN CG C 13 34.194 0.5 . 1 . . . . 133 GLN CG . 18504 1 1025 . 1 1 133 133 GLN N N 15 121.031 0.5 . 1 . . . . 133 GLN N . 18504 1 1026 . 1 1 134 134 ASP H H 1 8.253 0.05 . 1 . . . . 134 ASP HN . 18504 1 1027 . 1 1 134 134 ASP HA H 1 4.632 0.05 . 1 . . . . 134 ASP HA . 18504 1 1028 . 1 1 134 134 ASP HB2 H 1 2.698 0.05 . 1 . . . . 134 ASP HB2 . 18504 1 1029 . 1 1 134 134 ASP HB3 H 1 2.698 0.05 . 1 . . . . 134 ASP HB3 . 18504 1 1030 . 1 1 134 134 ASP C C 13 176.386 0.5 . 1 . . . . 134 ASP C . 18504 1 1031 . 1 1 134 134 ASP CA C 13 54.97 0.5 . 1 . . . . 134 ASP CA . 18504 1 1032 . 1 1 134 134 ASP CB C 13 41.436 0.5 . 1 . . . . 134 ASP CB . 18504 1 1033 . 1 1 134 134 ASP N N 15 120.377 0.5 . 1 . . . . 134 ASP N . 18504 1 1034 . 1 1 135 135 SER H H 1 8.163 0.05 . 1 . . . . 135 SER HN . 18504 1 1035 . 1 1 135 135 SER HA H 1 4.6 0.05 . 1 . . . . 135 SER HA . 18504 1 1036 . 1 1 135 135 SER HB2 H 1 3.908 0.05 . 1 . . . . 135 SER HB2 . 18504 1 1037 . 1 1 135 135 SER HB3 H 1 3.908 0.05 . 1 . . . . 135 SER HB3 . 18504 1 1038 . 1 1 135 135 SER C C 13 173.577 0.5 . 1 . . . . 135 SER C . 18504 1 1039 . 1 1 135 135 SER CA C 13 58.608 0.5 . 1 . . . . 135 SER CA . 18504 1 1040 . 1 1 135 135 SER CB C 13 64.19 0.5 . 1 . . . . 135 SER CB . 18504 1 1041 . 1 1 135 135 SER N N 15 115.471 0.5 . 1 . . . . 135 SER N . 18504 1 1042 . 1 1 136 136 VAL H H 1 7.66 0.05 . 1 . . . . 136 VAL HN . 18504 1 1043 . 1 1 136 136 VAL HA H 1 3.99 0.05 . 1 . . . . 136 VAL HA . 18504 1 1044 . 1 1 136 136 VAL HB H 1 2.04 0.05 . 1 . . . . 136 VAL HB . 18504 1 1045 . 1 1 136 136 VAL HG11 H 1 0.941 0.05 . 2 . . . . 136 VAL HG1 . 18504 1 1046 . 1 1 136 136 VAL HG12 H 1 0.941 0.05 . 2 . . . . 136 VAL HG1 . 18504 1 1047 . 1 1 136 136 VAL HG13 H 1 0.941 0.05 . 2 . . . . 136 VAL HG1 . 18504 1 1048 . 1 1 136 136 VAL C C 13 176.182 0.5 . 1 . . . . 136 VAL C . 18504 1 1049 . 1 1 136 136 VAL CA C 13 63.507 0.5 . 1 . . . . 136 VAL CA . 18504 1 1050 . 1 1 136 136 VAL CB C 13 32.693 0.5 . 1 . . . . 136 VAL CB . 18504 1 1051 . 1 1 136 136 VAL CG1 C 13 20.67 0.5 . 1 . . . . 136 VAL CG1 . 18504 1 1052 . 1 1 136 136 VAL N N 15 125.328 0.5 . 1 . . . . 136 VAL N . 18504 1 1053 . 1 1 137 137 TYR H H 1 7.966 0.05 . 1 . . . . 137 TYR HN . 18504 1 1054 . 1 1 137 137 TYR HA H 1 4.565 0.05 . 1 . . . . 137 TYR HA . 18504 1 1055 . 1 1 137 137 TYR HB2 H 1 2.646 0.05 . 1 . . . . 137 TYR HB2 . 18504 1 1056 . 1 1 137 137 TYR HB3 H 1 2.646 0.05 . 1 . . . . 137 TYR HB3 . 18504 1 1057 . 1 1 137 137 TYR HD1 H 1 7.05 0.05 . 1 . . . . 137 TYR HD1 . 18504 1 1058 . 1 1 137 137 TYR HD2 H 1 7.05 0.05 . 1 . . . . 137 TYR HD2 . 18504 1 1059 . 1 1 137 137 TYR HE1 H 1 6.702 0.05 . 1 . . . . 137 TYR HE1 . 18504 1 1060 . 1 1 137 137 TYR HE2 H 1 6.702 0.05 . 1 . . . . 137 TYR HE2 . 18504 1 1061 . 1 1 137 137 TYR C C 13 175.508 0.5 . 1 . . . . 137 TYR C . 18504 1 1062 . 1 1 137 137 TYR CA C 13 58.238 0.5 . 1 . . . . 137 TYR CA . 18504 1 1063 . 1 1 137 137 TYR CB C 13 38.782 0.5 . 1 . . . . 137 TYR CB . 18504 1 1064 . 1 1 137 137 TYR N N 15 121.579 0.5 . 1 . . . . 137 TYR N . 18504 1 1065 . 1 1 138 138 ASP H H 1 8.053 0.05 . 1 . . . . 138 ASP HN . 18504 1 1066 . 1 1 138 138 ASP CA C 13 54.538 0.5 . 1 . . . . 138 ASP CA . 18504 1 1067 . 1 1 138 138 ASP CB C 13 41.307 0.5 . 1 . . . . 138 ASP CB . 18504 1 1068 . 1 1 138 138 ASP N N 15 121.53 0.5 . 1 . . . . 138 ASP N . 18504 1 1069 . 1 1 139 139 ARG HA H 1 4.344 0.05 . 1 . . . . 139 ARG HA . 18504 1 1070 . 1 1 139 139 ARG HB2 H 1 1.873 0.05 . 1 . . . . 139 ARG HB2 . 18504 1 1071 . 1 1 139 139 ARG HB3 H 1 1.873 0.05 . 1 . . . . 139 ARG HB3 . 18504 1 1072 . 1 1 139 139 ARG C C 13 176.255 0.5 . 1 . . . . 139 ARG C . 18504 1 1073 . 1 1 139 139 ARG CA C 13 56.048 0.5 . 1 . . . . 139 ARG CA . 18504 1 1074 . 1 1 139 139 ARG CB C 13 30.581 0.5 . 1 . . . . 139 ARG CB . 18504 1 1075 . 1 1 139 139 ARG CG C 13 27.052 0.5 . 1 . . . . 139 ARG CG . 18504 1 1076 . 1 1 139 139 ARG CD C 13 43.444 0.5 . 1 . . . . 139 ARG CD . 18504 1 1077 . 1 1 140 140 SER H H 1 8.202 0.05 . 1 . . . . 140 SER HN . 18504 1 1078 . 1 1 140 140 SER HA H 1 4.305 0.05 . 1 . . . . 140 SER HA . 18504 1 1079 . 1 1 140 140 SER CA C 13 56.763 0.5 . 1 . . . . 140 SER CA . 18504 1 1080 . 1 1 140 140 SER CB C 13 63.437 0.5 . 1 . . . . 140 SER CB . 18504 1 1081 . 1 1 140 140 SER N N 15 117.321 0.5 . 1 . . . . 140 SER N . 18504 1 1082 . 1 1 142 142 LYS C C 13 175.86 0.5 . 1 . . . . 142 LYS C . 18504 1 1083 . 1 1 142 142 LYS CA C 13 56.575 0.5 . 1 . . . . 142 LYS CA . 18504 1 1084 . 1 1 142 142 LYS CB C 13 33.099 0.5 . 1 . . . . 142 LYS CB . 18504 1 1085 . 1 1 142 142 LYS CG C 13 24.768 0.5 . 1 . . . . 142 LYS CG . 18504 1 1086 . 1 1 142 142 LYS CD C 13 29.569 0.5 . 1 . . . . 142 LYS CD . 18504 1 1087 . 1 1 142 142 LYS CE C 13 41.805 0.5 . 1 . . . . 142 LYS CE . 18504 1 1088 . 1 1 143 143 LYS H H 1 8.15 0.05 . 1 . . . . 143 LYS HN . 18504 1 1089 . 1 1 143 143 LYS HA H 1 4.317 0.05 . 1 . . . . 143 LYS HA . 18504 1 1090 . 1 1 143 143 LYS HB2 H 1 1.822 0.05 . 1 . . . . 143 LYS HB2 . 18504 1 1091 . 1 1 143 143 LYS HB3 H 1 1.822 0.05 . 1 . . . . 143 LYS HB3 . 18504 1 1092 . 1 1 143 143 LYS C C 13 175.552 0.5 . 1 . . . . 143 LYS C . 18504 1 1093 . 1 1 143 143 LYS CA C 13 56.833 0.5 . 1 . . . . 143 LYS CA . 18504 1 1094 . 1 1 143 143 LYS CB C 13 33.142 0.5 . 1 . . . . 143 LYS CB . 18504 1 1095 . 1 1 143 143 LYS CG C 13 24.768 0.5 . 1 . . . . 143 LYS CG . 18504 1 1096 . 1 1 143 143 LYS CD C 13 29.101 0.5 . 1 . . . . 143 LYS CD . 18504 1 1097 . 1 1 143 143 LYS CE C 13 42.273 0.5 . 1 . . . . 143 LYS CE . 18504 1 1098 . 1 1 143 143 LYS N N 15 121.435 0.5 . 1 . . . . 143 LYS N . 18504 1 1099 . 1 1 144 144 LYS H H 1 7.887 0.05 . 1 . . . . 144 LYS HN . 18504 1 1100 . 1 1 144 144 LYS C C 13 181.245 0.5 . 1 . . . . 144 LYS C . 18504 1 1101 . 1 1 144 144 LYS CA C 13 57.788 0.5 . 1 . . . . 144 LYS CA . 18504 1 1102 . 1 1 144 144 LYS CB C 13 33.609 0.5 . 1 . . . . 144 LYS CB . 18504 1 1103 . 1 1 144 144 LYS N N 15 128.243 0.5 . 1 . . . . 144 LYS N . 18504 1 1104 . 1 1 145 145 TYR HA H 1 4.561 0.05 . 1 . . . . 145 TYR HA . 18504 1 1105 . 1 1 145 145 TYR HB2 H 1 2.987 0.05 . 1 . . . . 145 TYR HB2 . 18504 1 1106 . 1 1 145 145 TYR HB3 H 1 2.987 0.05 . 1 . . . . 145 TYR HB3 . 18504 1 1107 . 1 1 145 145 TYR HD1 H 1 7.023 0.05 . 1 . . . . 145 TYR HD1 . 18504 1 1108 . 1 1 145 145 TYR HD2 H 1 7.023 0.05 . 1 . . . . 145 TYR HD2 . 18504 1 1109 . 1 1 145 145 TYR HE1 H 1 6.743 0.05 . 1 . . . . 145 TYR HE1 . 18504 1 1110 . 1 1 145 145 TYR HE2 H 1 6.743 0.05 . 1 . . . . 145 TYR HE2 . 18504 1 1111 . 1 1 145 145 TYR C C 13 175.201 0.5 . 1 . . . . 145 TYR C . 18504 1 1112 . 1 1 145 145 TYR CA C 13 57.804 0.5 . 1 . . . . 145 TYR CA . 18504 1 1113 . 1 1 145 145 TYR CB C 13 38.778 0.5 . 1 . . . . 145 TYR CB . 18504 1 1114 . 1 1 146 146 ILE H H 1 7.914 0.05 . 1 . . . . 146 ILE HN . 18504 1 1115 . 1 1 146 146 ILE HA H 1 4.061 0.05 . 1 . . . . 146 ILE HA . 18504 1 1116 . 1 1 146 146 ILE HB H 1 1.779 0.05 . 1 . . . . 146 ILE HB . 18504 1 1117 . 1 1 146 146 ILE C C 13 175.43 0.5 . 1 . . . . 146 ILE C . 18504 1 1118 . 1 1 146 146 ILE CA C 13 60.853 0.5 . 1 . . . . 146 ILE CA . 18504 1 1119 . 1 1 146 146 ILE CB C 13 39.016 0.5 . 1 . . . . 146 ILE CB . 18504 1 1120 . 1 1 146 146 ILE CG1 C 13 27.227 0.5 . 1 . . . . 146 ILE CG1 . 18504 1 1121 . 1 1 146 146 ILE CD1 C 13 17.216 0.5 . 1 . . . . 146 ILE CD1 . 18504 1 1122 . 1 1 146 146 ILE N N 15 123.473 0.5 . 1 . . . . 146 ILE N . 18504 1 1123 . 1 1 147 147 LYS H H 1 8.186 0.05 . 1 . . . . 147 LYS HN . 18504 1 1124 . 1 1 147 147 LYS HA H 1 4.274 0.05 . 1 . . . . 147 LYS HA . 18504 1 1125 . 1 1 147 147 LYS HB2 H 1 1.785 0.05 . 1 . . . . 147 LYS HB2 . 18504 1 1126 . 1 1 147 147 LYS HB3 H 1 1.785 0.05 . 1 . . . . 147 LYS HB3 . 18504 1 1127 . 1 1 147 147 LYS C C 13 175.743 0.5 . 1 . . . . 147 LYS C . 18504 1 1128 . 1 1 147 147 LYS CA C 13 56.403 0.5 . 1 . . . . 147 LYS CA . 18504 1 1129 . 1 1 147 147 LYS CB C 13 33.161 0.5 . 1 . . . . 147 LYS CB . 18504 1 1130 . 1 1 147 147 LYS CG C 13 24.768 0.5 . 1 . . . . 147 LYS CG . 18504 1 1131 . 1 1 147 147 LYS CD C 13 29.335 0.5 . 1 . . . . 147 LYS CD . 18504 1 1132 . 1 1 147 147 LYS CE C 13 41.922 0.5 . 1 . . . . 147 LYS CE . 18504 1 1133 . 1 1 147 147 LYS N N 15 126.191 0.5 . 1 . . . . 147 LYS N . 18504 1 1134 . 1 1 148 148 ALA H H 1 8.321 0.05 . 1 . . . . 148 ALA HN . 18504 1 1135 . 1 1 148 148 ALA HA H 1 4.354 0.05 . 1 . . . . 148 ALA HA . 18504 1 1136 . 1 1 148 148 ALA C C 13 176.738 0.5 . 1 . . . . 148 ALA C . 18504 1 1137 . 1 1 148 148 ALA CA C 13 52.754 0.5 . 1 . . . . 148 ALA CA . 18504 1 1138 . 1 1 148 148 ALA CB C 13 19.501 0.5 . 1 . . . . 148 ALA CB . 18504 1 1139 . 1 1 148 148 ALA N N 15 127.131 0.5 . 1 . . . . 148 ALA N . 18504 1 1140 . 1 1 149 149 SER H H 1 7.836 0.05 . 1 . . . . 149 SER HN . 18504 1 1141 . 1 1 149 149 SER CA C 13 59.866 0.5 . 1 . . . . 149 SER CA . 18504 1 1142 . 1 1 149 149 SER CB C 13 64.959 0.5 . 1 . . . . 149 SER CB . 18504 1 1143 . 1 1 149 149 SER N N 15 120.767 . . 1 . . . . 149 SER N . 18504 1 stop_ save_