data_26947 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26947 _Entry.Title ; NMR resonance assignments of AIPL1 FKBP in complex with a farnesyl ligand ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-18 _Entry.Accession_date 2016-11-18 _Entry.Last_release_date 2016-11-21 _Entry.Original_release_date 2016-11-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR assignments' _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.ORCID _Entry_author.Entry_ID 1 Liping Yu . . . . 26947 2 Ravi Yadav . . . . 26947 3 Nikolai Artemyev . . . . 26947 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26947 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 26947 '15N chemical shifts' 113 26947 '1H chemical shifts' 737 26947 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-04-26 . original BMRB . 26947 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26947 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28236226 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) in complex with a farnesyl ligand ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 111 _Citation.Page_last 115 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Liping Yu . . . . 26947 1 2 Ravi Yadav . P. . . 26947 1 3 Nikolai Artemyev . O. . . 26947 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AIPL1 26947 1 FKBP 26947 1 NMR 26947 1 farnesyl 26947 1 geranylgeranyl 26947 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26947 _Assembly.ID 1 _Assembly.Name 'AIPL1 FKBP/FC complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'AIPL1 FKBP' 1 $AIPL1_FKBP A . yes native no no . . . 26947 1 2 FC 2 $entity_5U0 B . no native no no . . . 26947 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AIPL1_FKBP _Entity.Sf_category entity _Entity.Sf_framecode AIPL1_FKBP _Entity.Entry_ID 26947 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AIPL1_FKBP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHGDAALLLNVEGV KKTILHGGTGELPNFITGSR VIFHFRTMKCDEERTVIDDS RQVGQPMHIIIGNMFKLEVW EILLTSMRVHEVAEFWCDTI HTGVYPILSRSLRQMAQGGG GGGGYEDLDELQKEPQPLVF VIELLQVDAPSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; There are 8 residue tag at the N-terminus. Therefore, the numbering starts at -7. Please note that there is a break in real sequence number between 110 and 133 as indicated in the chemical shift file (column 19), i.e. column 19 shows the correct protein sequence numbering for the wild type protein. ; _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 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -7 MET . 26947 1 2 -6 GLY . 26947 1 3 -5 HIS . 26947 1 4 -4 HIS . 26947 1 5 -3 HIS . 26947 1 6 -2 HIS . 26947 1 7 -1 HIS . 26947 1 8 0 HIS . 26947 1 9 1 GLY . 26947 1 10 2 ASP . 26947 1 11 3 ALA . 26947 1 12 4 ALA . 26947 1 13 5 LEU . 26947 1 14 6 LEU . 26947 1 15 7 LEU . 26947 1 16 8 ASN . 26947 1 17 9 VAL . 26947 1 18 10 GLU . 26947 1 19 11 GLY . 26947 1 20 12 VAL . 26947 1 21 13 LYS . 26947 1 22 14 LYS . 26947 1 23 15 THR . 26947 1 24 16 ILE . 26947 1 25 17 LEU . 26947 1 26 18 HIS . 26947 1 27 19 GLY . 26947 1 28 20 GLY . 26947 1 29 21 THR . 26947 1 30 22 GLY . 26947 1 31 23 GLU . 26947 1 32 24 LEU . 26947 1 33 25 PRO . 26947 1 34 26 ASN . 26947 1 35 27 PHE . 26947 1 36 28 ILE . 26947 1 37 29 THR . 26947 1 38 30 GLY . 26947 1 39 31 SER . 26947 1 40 32 ARG . 26947 1 41 33 VAL . 26947 1 42 34 ILE . 26947 1 43 35 PHE . 26947 1 44 36 HIS . 26947 1 45 37 PHE . 26947 1 46 38 ARG . 26947 1 47 39 THR . 26947 1 48 40 MET . 26947 1 49 41 LYS . 26947 1 50 42 CYS . 26947 1 51 43 ASP . 26947 1 52 44 GLU . 26947 1 53 45 GLU . 26947 1 54 46 ARG . 26947 1 55 47 THR . 26947 1 56 48 VAL . 26947 1 57 49 ILE . 26947 1 58 50 ASP . 26947 1 59 51 ASP . 26947 1 60 52 SER . 26947 1 61 53 ARG . 26947 1 62 54 GLN . 26947 1 63 55 VAL . 26947 1 64 56 GLY . 26947 1 65 57 GLN . 26947 1 66 58 PRO . 26947 1 67 59 MET . 26947 1 68 60 HIS . 26947 1 69 61 ILE . 26947 1 70 62 ILE . 26947 1 71 63 ILE . 26947 1 72 64 GLY . 26947 1 73 65 ASN . 26947 1 74 66 MET . 26947 1 75 67 PHE . 26947 1 76 68 LYS . 26947 1 77 69 LEU . 26947 1 78 70 GLU . 26947 1 79 71 VAL . 26947 1 80 72 TRP . 26947 1 81 73 GLU . 26947 1 82 74 ILE . 26947 1 83 75 LEU . 26947 1 84 76 LEU . 26947 1 85 77 THR . 26947 1 86 78 SER . 26947 1 87 79 MET . 26947 1 88 80 ARG . 26947 1 89 81 VAL . 26947 1 90 82 HIS . 26947 1 91 83 GLU . 26947 1 92 84 VAL . 26947 1 93 85 ALA . 26947 1 94 86 GLU . 26947 1 95 87 PHE . 26947 1 96 88 TRP . 26947 1 97 89 CYS . 26947 1 98 90 ASP . 26947 1 99 91 THR . 26947 1 100 92 ILE . 26947 1 101 93 HIS . 26947 1 102 94 THR . 26947 1 103 95 GLY . 26947 1 104 96 VAL . 26947 1 105 97 TYR . 26947 1 106 98 PRO . 26947 1 107 99 ILE . 26947 1 108 100 LEU . 26947 1 109 101 SER . 26947 1 110 102 ARG . 26947 1 111 103 SER . 26947 1 112 104 LEU . 26947 1 113 105 ARG . 26947 1 114 106 GLN . 26947 1 115 107 MET . 26947 1 116 108 ALA . 26947 1 117 109 GLN . 26947 1 118 110 GLY . 26947 1 119 111 GLY . 26947 1 120 112 GLY . 26947 1 121 113 GLY . 26947 1 122 114 GLY . 26947 1 123 115 GLY . 26947 1 124 133 GLY . 26947 1 125 134 TYR . 26947 1 126 135 GLU . 26947 1 127 136 ASP . 26947 1 128 137 LEU . 26947 1 129 138 ASP . 26947 1 130 139 GLU . 26947 1 131 140 LEU . 26947 1 132 141 GLN . 26947 1 133 142 LYS . 26947 1 134 143 GLU . 26947 1 135 144 PRO . 26947 1 136 145 GLN . 26947 1 137 146 PRO . 26947 1 138 147 LEU . 26947 1 139 148 VAL . 26947 1 140 149 PHE . 26947 1 141 150 VAL . 26947 1 142 151 ILE . 26947 1 143 152 GLU . 26947 1 144 153 LEU . 26947 1 145 154 LEU . 26947 1 146 155 GLN . 26947 1 147 156 VAL . 26947 1 148 157 ASP . 26947 1 149 158 ALA . 26947 1 150 159 PRO . 26947 1 151 160 SER . 26947 1 152 161 ASP . 26947 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26947 1 . GLY 2 2 26947 1 . HIS 3 3 26947 1 . HIS 4 4 26947 1 . HIS 5 5 26947 1 . HIS 6 6 26947 1 . HIS 7 7 26947 1 . HIS 8 8 26947 1 . GLY 9 9 26947 1 . ASP 10 10 26947 1 . ALA 11 11 26947 1 . ALA 12 12 26947 1 . LEU 13 13 26947 1 . LEU 14 14 26947 1 . LEU 15 15 26947 1 . ASN 16 16 26947 1 . VAL 17 17 26947 1 . GLU 18 18 26947 1 . GLY 19 19 26947 1 . VAL 20 20 26947 1 . LYS 21 21 26947 1 . LYS 22 22 26947 1 . THR 23 23 26947 1 . ILE 24 24 26947 1 . LEU 25 25 26947 1 . HIS 26 26 26947 1 . GLY 27 27 26947 1 . GLY 28 28 26947 1 . THR 29 29 26947 1 . GLY 30 30 26947 1 . GLU 31 31 26947 1 . LEU 32 32 26947 1 . PRO 33 33 26947 1 . ASN 34 34 26947 1 . PHE 35 35 26947 1 . ILE 36 36 26947 1 . THR 37 37 26947 1 . GLY 38 38 26947 1 . SER 39 39 26947 1 . ARG 40 40 26947 1 . VAL 41 41 26947 1 . ILE 42 42 26947 1 . PHE 43 43 26947 1 . HIS 44 44 26947 1 . PHE 45 45 26947 1 . ARG 46 46 26947 1 . THR 47 47 26947 1 . MET 48 48 26947 1 . LYS 49 49 26947 1 . CYS 50 50 26947 1 . ASP 51 51 26947 1 . GLU 52 52 26947 1 . GLU 53 53 26947 1 . ARG 54 54 26947 1 . THR 55 55 26947 1 . VAL 56 56 26947 1 . ILE 57 57 26947 1 . ASP 58 58 26947 1 . ASP 59 59 26947 1 . SER 60 60 26947 1 . ARG 61 61 26947 1 . GLN 62 62 26947 1 . VAL 63 63 26947 1 . GLY 64 64 26947 1 . GLN 65 65 26947 1 . PRO 66 66 26947 1 . MET 67 67 26947 1 . HIS 68 68 26947 1 . ILE 69 69 26947 1 . ILE 70 70 26947 1 . ILE 71 71 26947 1 . GLY 72 72 26947 1 . ASN 73 73 26947 1 . MET 74 74 26947 1 . PHE 75 75 26947 1 . LYS 76 76 26947 1 . LEU 77 77 26947 1 . GLU 78 78 26947 1 . VAL 79 79 26947 1 . TRP 80 80 26947 1 . GLU 81 81 26947 1 . ILE 82 82 26947 1 . LEU 83 83 26947 1 . LEU 84 84 26947 1 . THR 85 85 26947 1 . SER 86 86 26947 1 . MET 87 87 26947 1 . ARG 88 88 26947 1 . VAL 89 89 26947 1 . HIS 90 90 26947 1 . GLU 91 91 26947 1 . VAL 92 92 26947 1 . ALA 93 93 26947 1 . GLU 94 94 26947 1 . PHE 95 95 26947 1 . TRP 96 96 26947 1 . CYS 97 97 26947 1 . ASP 98 98 26947 1 . THR 99 99 26947 1 . ILE 100 100 26947 1 . HIS 101 101 26947 1 . THR 102 102 26947 1 . GLY 103 103 26947 1 . VAL 104 104 26947 1 . TYR 105 105 26947 1 . PRO 106 106 26947 1 . ILE 107 107 26947 1 . LEU 108 108 26947 1 . SER 109 109 26947 1 . ARG 110 110 26947 1 . SER 111 111 26947 1 . LEU 112 112 26947 1 . ARG 113 113 26947 1 . GLN 114 114 26947 1 . MET 115 115 26947 1 . ALA 116 116 26947 1 . GLN 117 117 26947 1 . GLY 118 118 26947 1 . GLY 119 119 26947 1 . GLY 120 120 26947 1 . GLY 121 121 26947 1 . GLY 122 122 26947 1 . GLY 123 123 26947 1 . GLY 124 124 26947 1 . TYR 125 125 26947 1 . GLU 126 126 26947 1 . ASP 127 127 26947 1 . LEU 128 128 26947 1 . ASP 129 129 26947 1 . GLU 130 130 26947 1 . LEU 131 131 26947 1 . GLN 132 132 26947 1 . LYS 133 133 26947 1 . GLU 134 134 26947 1 . PRO 135 135 26947 1 . GLN 136 136 26947 1 . PRO 137 137 26947 1 . LEU 138 138 26947 1 . VAL 139 139 26947 1 . PHE 140 140 26947 1 . VAL 141 141 26947 1 . ILE 142 142 26947 1 . GLU 143 143 26947 1 . LEU 144 144 26947 1 . LEU 145 145 26947 1 . GLN 146 146 26947 1 . VAL 147 147 26947 1 . ASP 148 148 26947 1 . ALA 149 149 26947 1 . PRO 150 150 26947 1 . SER 151 151 26947 1 . ASP 152 152 26947 1 stop_ save_ save_entity_5U0 _Entity.Sf_category entity _Entity.Sf_framecode entity_5U0 _Entity.Entry_ID 26947 _Entity.ID 2 _Entity.BMRB_code 5U0 _Entity.Name entity_5U0 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 5U0 _Entity.Nonpolymer_comp_label $chem_comp_5U0 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 339.536 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 's-farnesyl-l-cysteine methyl ester' BMRB 26947 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 's-farnesyl-l-cysteine methyl ester' BMRB 26947 2 5U0 'Three letter code' 26947 2 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 5U0 $chem_comp_5U0 26947 2 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 26947 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AIPL1_FKBP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26947 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 26947 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AIPL1_FKBP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 26947 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_5U0 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_5U0 _Chem_comp.Entry_ID 26947 _Chem_comp.ID 5U0 _Chem_comp.Provenance PDB _Chem_comp.Name 's-farnesyl-l-cysteine methyl ester' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 5U0 _Chem_comp.PDB_code 5U0 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2015-12-02 _Chem_comp.Modified_date 2015-12-02 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 5U0 _Chem_comp.Number_atoms_all 56 _Chem_comp.Number_atoms_nh 23 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C19 H33 N O2 S' _Chem_comp.Formula_weight 339.536 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 5F2U _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C SMILES_CANONICAL 'OpenEye OEToolkits' 2.0.4 26947 5U0 CC(=CCCC(=CCCC(=CCSCC(C(=O)OC)N)C)C)C SMILES 'OpenEye OEToolkits' 2.0.4 26947 5U0 COC(=O)[C@@H](N)CSC/C=C(C)/CC\C=C(C)\CCC=C(C)C SMILES_CANONICAL CACTVS 3.385 26947 5U0 COC(=O)[CH](N)CSCC=C(C)CCC=C(C)CCC=C(C)C SMILES CACTVS 3.385 26947 5U0 ; InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1 ; InChI InChI 1.03 26947 5U0 SIEHZFPZQUNSAS-GCVUPTOQSA-N InChIKey InChI 1.03 26947 5U0 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'methyl (2~{R})-2-azanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 2.0.4 26947 5U0 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CAB CAB CAB C1 . C . . N 0 . . . 1 no no . . . . 5.545 . 17.104 . 2.964 . -7.521 -0.980 1.694 1 . 26947 5U0 CAA CAA CAA C2 . C . . N 0 . . . 1 no no . . . . 5.409 . 15.660 . 3.232 . -8.147 0.227 1.045 2 . 26947 5U0 CAD CAD CAD C3 . C . . N 0 . . . 1 no no . . . . 5.915 . 14.635 . 2.209 . -9.646 0.374 1.013 3 . 26947 5U0 CAC CAC CAC C4 . C . . N 0 . . . 1 no no . . . . 4.706 . 15.299 . 4.531 . -7.387 1.149 0.507 4 . 26947 5U0 CAE CAE CAE C5 . C . . N 0 . . . 1 no no . . . . 4.397 . 13.873 . 4.858 . -5.896 0.945 0.428 5 . 26947 5U0 CAF CAF CAF C6 . C . . N 0 . . . 1 no no . . . . 4.628 . 13.539 . 6.340 . -5.435 1.112 -1.022 6 . 26947 5U0 CAG CAG CAG C7 . C . . N 0 . . . 1 no no . . . . 3.739 . 14.226 . 7.382 . -3.944 0.907 -1.102 7 . 26947 5U0 CAI CAI CAI C8 . C . . N 0 . . . 1 no no . . . . 4.261 . 14.169 . 8.796 . -3.010 2.057 -0.824 8 . 26947 5U0 CAH CAH CAH C9 . C . . N 0 . . . 1 no no . . . . 2.468 . 14.999 . 7.043 . -3.461 -0.270 -1.413 9 . 26947 5U0 CAJ CAJ CAJ C10 . C . . N 0 . . . 1 no no . . . . 1.633 . 15.629 . 8.169 . -1.973 -0.508 -1.371 10 . 26947 5U0 CAK CAK CAK C11 . C . . N 0 . . . 1 no no . . . . 0.943 . 14.516 . 9.002 . -1.675 -1.712 -0.476 11 . 26947 5U0 CAL CAL CAL C12 . C . . N 0 . . . 1 no no . . . . 0.340 . 15.074 . 10.304 . -0.187 -1.950 -0.434 12 . 26947 5U0 CAN CAN CAN C13 . C . . N 0 . . . 1 no no . . . . -0.024 . 14.131 . 11.401 . 0.475 -2.770 -1.511 13 . 26947 5U0 CAM CAM CAM C14 . C . . N 0 . . . 1 no no . . . . -0.031 . 16.524 . 10.415 . 0.530 -1.445 0.539 14 . 26947 5U0 CAO CAO CAO C15 . C . . N 0 . . . 1 no no . . . . -0.492 . 17.084 . 11.728 . 2.030 -1.588 0.522 15 . 26947 5U0 SAP SAP SAP S1 . S . . N 0 . . . 1 no no . . . . -1.805 . 18.299 . 11.406 . 2.792 0.049 0.347 16 . 26947 5U0 CB CB CB C16 . C . . N 0 . . . 1 no no . . . . -2.998 . 16.996 . 11.072 . 4.567 -0.325 0.347 17 . 26947 5U0 CA CA CA C17 . C . . R 0 . . . 1 no no . . . . -3.617 . 16.627 . 12.451 . 5.362 0.975 0.205 18 . 26947 5U0 N N N N1 . N . . N 0 . . . 1 no no . . . . -4.714 . 15.723 . 12.220 . 5.000 1.634 -1.057 19 . 26947 5U0 C C C C18 . C . . N 0 . . . 1 no no . . . . -4.272 . 17.806 . 13.175 . 6.836 0.664 0.204 20 . 26947 5U0 O O O O1 . O . . N 0 . . . 1 no no . . . . -5.177 . 18.465 . 12.653 . 7.444 0.617 -0.839 21 . 26947 5U0 OAV OAV OAV O2 . O . . N 0 . . . 1 no no . . . . -3.859 . 17.934 . 14.434 . 7.475 0.440 1.363 22 . 26947 5U0 CAW CAW CAW C19 . C . . N 0 . . . 1 no no . . . . -4.803 . 18.627 . 15.278 . 8.895 0.147 1.287 23 . 26947 5U0 H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 5.128 . 17.675 . 3.807 . -6.809 -0.656 2.454 24 . 26947 5U0 H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 6.609 . 17.356 . 2.842 . -8.299 -1.586 2.160 25 . 26947 5U0 H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 5.000 . 17.359 . 2.043 . -7.003 -1.572 0.939 26 . 26947 5U0 H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 5.727 . 13.618 . 2.584 . -9.978 0.908 1.903 27 . 26947 5U0 H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 5.386 . 14.778 . 1.255 . -9.938 0.933 0.123 28 . 26947 5U0 H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 6.995 . 14.774 . 2.054 . -10.107 -0.614 0.988 29 . 26947 5U0 H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 4.427 . 16.079 . 5.224 . -7.829 2.056 0.122 30 . 26947 5U0 H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 3.343 . 13.677 . 4.614 . -5.394 1.680 1.056 31 . 26947 5U0 H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 5.042 . 13.224 . 4.247 . -5.648 -0.059 0.774 32 . 26947 5U0 H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 4.488 . 12.454 . 6.456 . -5.937 0.376 -1.650 33 . 26947 5U0 H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 5.670 . 13.802 . 6.575 . -5.683 2.115 -1.368 34 . 26947 5U0 H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 3.559 . 14.685 . 9.468 . -3.589 2.967 -0.673 35 . 26947 5U0 H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 4.361 . 13.119 . 9.108 . -2.428 1.843 0.073 36 . 26947 5U0 H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 5.244 . 14.661 . 8.844 . -2.337 2.190 -1.671 37 . 26947 5U0 H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . 2.156 . 15.103 . 6.014 . -4.128 -1.069 -1.700 38 . 26947 5U0 H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . 2.291 . 16.220 . 8.824 . -1.609 -0.706 -2.379 39 . 26947 5U0 H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . 0.866 . 16.285 . 7.731 . -1.475 0.375 -0.971 40 . 26947 5U0 H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . 0.139 . 14.066 . 8.400 . -2.039 -1.515 0.532 41 . 26947 5U0 H19 H19 H19 H19 . H . . N 0 . . . 1 no no . . . . 1.687 . 13.746 . 9.254 . -2.173 -2.595 -0.876 42 . 26947 5U0 H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . -0.437 . 14.696 . 12.249 . -0.261 -3.037 -2.269 43 . 26947 5U0 H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . -0.776 . 13.416 . 11.036 . 1.275 -2.189 -1.970 44 . 26947 5U0 H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 0.873 . 13.584 . 11.727 . 0.891 -3.678 -1.073 45 . 26947 5U0 H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . 0.034 . 17.165 . 9.548 . 0.046 -0.926 1.353 46 . 26947 5U0 H24 H24 H24 H24 . H . . N 0 . . . 1 no no . . . . -0.883 . 16.273 . 12.361 . 2.362 -2.046 1.454 47 . 26947 5U0 H25 H25 H25 H25 . H . . N 0 . . . 1 no no . . . . 0.350 . 17.574 . 12.239 . 2.326 -2.218 -0.318 48 . 26947 5U0 H26 H26 H26 H26 . H . . N 0 . . . 1 no no . . . . -3.778 . 17.357 . 10.386 . 4.835 -0.814 1.283 49 . 26947 5U0 H27 H27 H27 H27 . H . . N 0 . . . 1 no no . . . . -2.497 . 16.122 . 10.630 . 4.799 -0.986 -0.488 50 . 26947 5U0 H28 H28 H28 H28 . H . . N 0 . . . 1 no no . . . . -2.849 . 16.170 . 13.092 . 5.130 1.636 1.040 51 . 26947 5U0 H29 H29 H29 H29 . H . . N 0 . . . 1 no no . . . . -5.129 . 15.471 . 13.094 . 5.463 2.526 -1.145 52 . 26947 5U0 H30 H30 H30 H30 . H . . N 0 . . . 1 no no . . . . -5.398 . 16.170 . 11.643 . 5.206 1.041 -1.847 53 . 26947 5U0 H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . -4.400 . 18.697 . 16.299 . 9.049 -0.752 0.689 54 . 26947 5U0 H33 H33 H33 H33 . H . . N 0 . . . 1 no no . . . . -4.975 . 19.639 . 14.882 . 9.415 0.985 0.824 55 . 26947 5U0 H34 H34 H34 H34 . H . . N 0 . . . 1 no no . . . . -5.753 . 18.074 . 15.296 . 9.287 -0.014 2.292 56 . 26947 5U0 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CAD CAA no N 1 . 26947 5U0 2 . SING CAB CAA no N 2 . 26947 5U0 3 . DOUB CAA CAC no N 3 . 26947 5U0 4 . SING CAC CAE no N 4 . 26947 5U0 5 . SING CAE CAF no N 5 . 26947 5U0 6 . SING CAF CAG no N 6 . 26947 5U0 7 . DOUB CAH CAG no E 7 . 26947 5U0 8 . SING CAH CAJ no N 8 . 26947 5U0 9 . SING CAG CAI no N 9 . 26947 5U0 10 . SING CAJ CAK no N 10 . 26947 5U0 11 . SING CAK CAL no N 11 . 26947 5U0 12 . DOUB CAL CAM no E 12 . 26947 5U0 13 . SING CAL CAN no N 13 . 26947 5U0 14 . SING CAM CAO no N 14 . 26947 5U0 15 . SING CB SAP no N 15 . 26947 5U0 16 . SING CB CA no N 16 . 26947 5U0 17 . SING SAP CAO no N 17 . 26947 5U0 18 . SING N CA no N 18 . 26947 5U0 19 . SING CA C no N 19 . 26947 5U0 20 . DOUB O C no N 20 . 26947 5U0 21 . SING C OAV no N 21 . 26947 5U0 22 . SING OAV CAW no N 22 . 26947 5U0 23 . SING CAB H1 no N 23 . 26947 5U0 24 . SING CAB H2 no N 24 . 26947 5U0 25 . SING CAB H3 no N 25 . 26947 5U0 26 . SING CAD H4 no N 26 . 26947 5U0 27 . SING CAD H5 no N 27 . 26947 5U0 28 . SING CAD H6 no N 28 . 26947 5U0 29 . SING CAC H7 no N 29 . 26947 5U0 30 . SING CAE H8 no N 30 . 26947 5U0 31 . SING CAE H9 no N 31 . 26947 5U0 32 . SING CAF H10 no N 32 . 26947 5U0 33 . SING CAF H11 no N 33 . 26947 5U0 34 . SING CAI H12 no N 34 . 26947 5U0 35 . SING CAI H13 no N 35 . 26947 5U0 36 . SING CAI H14 no N 36 . 26947 5U0 37 . SING CAH H15 no N 37 . 26947 5U0 38 . SING CAJ H16 no N 38 . 26947 5U0 39 . SING CAJ H17 no N 39 . 26947 5U0 40 . SING CAK H18 no N 40 . 26947 5U0 41 . SING CAK H19 no N 41 . 26947 5U0 42 . SING CAN H20 no N 42 . 26947 5U0 43 . SING CAN H21 no N 43 . 26947 5U0 44 . SING CAN H22 no N 44 . 26947 5U0 45 . SING CAM H23 no N 45 . 26947 5U0 46 . SING CAO H24 no N 46 . 26947 5U0 47 . SING CAO H25 no N 47 . 26947 5U0 48 . SING CB H26 no N 48 . 26947 5U0 49 . SING CB H27 no N 49 . 26947 5U0 50 . SING CA H28 no N 50 . 26947 5U0 51 . SING N H29 no N 51 . 26947 5U0 52 . SING N H30 no N 52 . 26947 5U0 53 . SING CAW H32 no N 53 . 26947 5U0 54 . SING CAW H33 no N 54 . 26947 5U0 55 . SING CAW H34 no N 55 . 26947 5U0 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26947 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'AIPL1 FKBP' '[U-100% 13C; U-100% 15N]' . . 1 $AIPL1_FKBP . . 1.0 . . mM . . . . 26947 1 2 'S-farnesyl-L-cysteine methyl ester' 'natural abundance' . . 2 $entity_5U0 . . 1.0 . . mM . . . . 26947 1 3 'Sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 26947 1 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 26947 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26947 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'AIPL1 FKBP' '[U-100% 13C; U-100% 15N]' . . 1 $AIPL1_FKBP . . 1.0 . . mM . . . . 26947 2 2 'S-farnesyl-L-cysteine methyl ester' 'natural abundance' . . 2 $entity_5U0 . . 1.0 . . mM . . . . 26947 2 3 'Sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 26947 2 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 26947 2 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 26947 _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' 137 . mM 26947 1 pH 7.5 . pH 26947 1 pressure 1 . atm 26947 1 temperature 298 . K 26947 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26947 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26947 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26947 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 26947 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26947 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26947 _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 AVII . 500 . . . 26947 1 2 spectrometer_2 Bruker AVII . 800 . . . 26947 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 26947 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 2 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 1 12 '3D C13-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26947 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 26947 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26947 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26947 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26947 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 26947 _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 '3D HNCACB' . . . 26947 1 2 '3D HN(CO)CACB' . . . 26947 1 3 '3D HNCA' . . . 26947 1 4 '3D HN(CO)CA' . . . 26947 1 5 '3D HNCO' . . . 26947 1 6 '3D HN(CA)CO' . . . 26947 1 7 '2D 1H-15N HSQC' . . . 26947 1 8 '3D C(CO)NH' . . . 26947 1 9 '3D H(CCO)NH' . . . 26947 1 10 '3D HCCH-TOCSY' . . . 26947 1 11 '3D HBHA(CO)NH' . . . 26947 1 12 '3D C13-NOESY' . . . 26947 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 9 9 GLY HA2 H 1 3.8930 0.01 . 2 . . . . 1 GLY HA1 . 26947 1 2 . 1 1 9 9 GLY HA3 H 1 3.8930 0.01 . 2 . . . . 1 GLY HA2 . 26947 1 3 . 1 1 9 9 GLY C C 13 173.8850 0.1 . 1 . . . . 1 GLY C . 26947 1 4 . 1 1 9 9 GLY CA C 13 45.3680 0.1 . 1 . . . . 1 GLY CA . 26947 1 5 . 1 1 10 10 ASP H H 1 8.2940 0.01 . 1 . . . . 2 ASP HN . 26947 1 6 . 1 1 10 10 ASP HA H 1 4.5610 0.01 . 1 . . . . 2 ASP HA . 26947 1 7 . 1 1 10 10 ASP HB2 H 1 2.6510 0.01 . 2 . . . . 2 ASP HB1 . 26947 1 8 . 1 1 10 10 ASP HB3 H 1 2.6510 0.01 . 2 . . . . 2 ASP HB2 . 26947 1 9 . 1 1 10 10 ASP C C 13 176.6800 0.1 . 1 . . . . 2 ASP C . 26947 1 10 . 1 1 10 10 ASP CA C 13 54.8650 0.1 . 1 . . . . 2 ASP CA . 26947 1 11 . 1 1 10 10 ASP CB C 13 41.2000 0.1 . 1 . . . . 2 ASP CB . 26947 1 12 . 1 1 10 10 ASP N N 15 120.6590 0.1 . 1 . . . . 2 ASP N . 26947 1 13 . 1 1 11 11 ALA H H 1 8.2630 0.01 . 1 . . . . 3 ALA HN . 26947 1 14 . 1 1 11 11 ALA HA H 1 4.2100 0.01 . 1 . . . . 3 ALA HA . 26947 1 15 . 1 1 11 11 ALA HB1 H 1 1.3610 0.01 . 1 . . . . 3 ALA HB1 . 26947 1 16 . 1 1 11 11 ALA HB2 H 1 1.3610 0.01 . 1 . . . . 3 ALA HB1 . 26947 1 17 . 1 1 11 11 ALA HB3 H 1 1.3610 0.01 . 1 . . . . 3 ALA HB1 . 26947 1 18 . 1 1 11 11 ALA C C 13 177.8220 0.1 . 1 . . . . 3 ALA C . 26947 1 19 . 1 1 11 11 ALA CA C 13 53.3390 0.1 . 1 . . . . 3 ALA CA . 26947 1 20 . 1 1 11 11 ALA CB C 13 19.1650 0.1 . 1 . . . . 3 ALA CB . 26947 1 21 . 1 1 11 11 ALA N N 15 124.7940 0.1 . 1 . . . . 3 ALA N . 26947 1 22 . 1 1 12 12 ALA H H 1 8.1940 0.01 . 1 . . . . 4 ALA HN . 26947 1 23 . 1 1 12 12 ALA HA H 1 4.3380 0.01 . 1 . . . . 4 ALA HA . 26947 1 24 . 1 1 12 12 ALA HB1 H 1 1.3930 0.01 . 1 . . . . 4 ALA HB1 . 26947 1 25 . 1 1 12 12 ALA HB2 H 1 1.3930 0.01 . 1 . . . . 4 ALA HB1 . 26947 1 26 . 1 1 12 12 ALA HB3 H 1 1.3930 0.01 . 1 . . . . 4 ALA HB1 . 26947 1 27 . 1 1 12 12 ALA C C 13 177.7070 0.1 . 1 . . . . 4 ALA C . 26947 1 28 . 1 1 12 12 ALA CA C 13 52.8700 0.1 . 1 . . . . 4 ALA CA . 26947 1 29 . 1 1 12 12 ALA CB C 13 19.2820 0.1 . 1 . . . . 4 ALA CB . 26947 1 30 . 1 1 12 12 ALA N N 15 121.4050 0.1 . 1 . . . . 4 ALA N . 26947 1 31 . 1 1 13 13 LEU H H 1 7.9460 0.01 . 1 . . . . 5 LEU HN . 26947 1 32 . 1 1 13 13 LEU HA H 1 4.3230 0.01 . 1 . . . . 5 LEU HA . 26947 1 33 . 1 1 13 13 LEU HB2 H 1 1.6290 0.01 . 2 . . . . 5 LEU HB1 . 26947 1 34 . 1 1 13 13 LEU HB3 H 1 1.6290 0.01 . 2 . . . . 5 LEU HB2 . 26947 1 35 . 1 1 13 13 LEU HG H 1 1.5910 0.01 . 1 . . . . 5 LEU HG . 26947 1 36 . 1 1 13 13 LEU HD11 H 1 0.8580 0.01 . 2 . . . . 5 LEU HD11 . 26947 1 37 . 1 1 13 13 LEU HD12 H 1 0.8580 0.01 . 2 . . . . 5 LEU HD11 . 26947 1 38 . 1 1 13 13 LEU HD13 H 1 0.8580 0.01 . 2 . . . . 5 LEU HD11 . 26947 1 39 . 1 1 13 13 LEU HD21 H 1 0.8580 0.01 . 2 . . . . 5 LEU HD21 . 26947 1 40 . 1 1 13 13 LEU HD22 H 1 0.8580 0.01 . 2 . . . . 5 LEU HD21 . 26947 1 41 . 1 1 13 13 LEU HD23 H 1 0.8580 0.01 . 2 . . . . 5 LEU HD21 . 26947 1 42 . 1 1 13 13 LEU C C 13 177.1260 0.1 . 1 . . . . 5 LEU C . 26947 1 43 . 1 1 13 13 LEU CA C 13 55.2510 0.1 . 1 . . . . 5 LEU CA . 26947 1 44 . 1 1 13 13 LEU CB C 13 42.2740 0.1 . 1 . . . . 5 LEU CB . 26947 1 45 . 1 1 13 13 LEU CG C 13 27.4600 0.1 . 1 . . . . 5 LEU CG . 26947 1 46 . 1 1 13 13 LEU CD1 C 13 23.0960 0.1 . 2 . . . . 5 LEU CD1 . 26947 1 47 . 1 1 13 13 LEU CD2 C 13 25.3800 0.1 . 2 . . . . 5 LEU CD2 . 26947 1 48 . 1 1 13 13 LEU N N 15 118.9060 0.1 . 1 . . . . 5 LEU N . 26947 1 49 . 1 1 14 14 LEU H H 1 8.0520 0.01 . 1 . . . . 6 LEU HN . 26947 1 50 . 1 1 14 14 LEU HA H 1 4.2470 0.01 . 1 . . . . 6 LEU HA . 26947 1 51 . 1 1 14 14 LEU HB2 H 1 1.6130 0.01 . 2 . . . . 6 LEU HB1 . 26947 1 52 . 1 1 14 14 LEU HB3 H 1 1.6130 0.01 . 2 . . . . 6 LEU HB2 . 26947 1 53 . 1 1 14 14 LEU HD11 H 1 0.8790 0.01 . 2 . . . . 6 LEU HD11 . 26947 1 54 . 1 1 14 14 LEU HD12 H 1 0.8790 0.01 . 2 . . . . 6 LEU HD11 . 26947 1 55 . 1 1 14 14 LEU HD13 H 1 0.8790 0.01 . 2 . . . . 6 LEU HD11 . 26947 1 56 . 1 1 14 14 LEU HD21 H 1 0.8790 0.01 . 2 . . . . 6 LEU HD21 . 26947 1 57 . 1 1 14 14 LEU HD22 H 1 0.8790 0.01 . 2 . . . . 6 LEU HD21 . 26947 1 58 . 1 1 14 14 LEU HD23 H 1 0.8790 0.01 . 2 . . . . 6 LEU HD21 . 26947 1 59 . 1 1 14 14 LEU C C 13 176.7250 0.1 . 1 . . . . 6 LEU C . 26947 1 60 . 1 1 14 14 LEU CA C 13 55.2640 0.1 . 1 . . . . 6 LEU CA . 26947 1 61 . 1 1 14 14 LEU CB C 13 41.5500 0.1 . 1 . . . . 6 LEU CB . 26947 1 62 . 1 1 14 14 LEU CD1 C 13 24.3600 0.1 . 2 . . . . 6 LEU CD1 . 26947 1 63 . 1 1 14 14 LEU CD2 C 13 26.0550 0.1 . 2 . . . . 6 LEU CD2 . 26947 1 64 . 1 1 14 14 LEU N N 15 120.2960 0.1 . 1 . . . . 6 LEU N . 26947 1 65 . 1 1 15 15 LEU H H 1 8.1130 0.01 . 1 . . . . 7 LEU HN . 26947 1 66 . 1 1 15 15 LEU HA H 1 4.2680 0.01 . 1 . . . . 7 LEU HA . 26947 1 67 . 1 1 15 15 LEU HB2 H 1 1.5770 0.01 . 2 . . . . 7 LEU HB1 . 26947 1 68 . 1 1 15 15 LEU HB3 H 1 1.5770 0.01 . 2 . . . . 7 LEU HB2 . 26947 1 69 . 1 1 15 15 LEU HD11 H 1 0.8790 0.01 . 2 . . . . 7 LEU HD11 . 26947 1 70 . 1 1 15 15 LEU HD12 H 1 0.8790 0.01 . 2 . . . . 7 LEU HD11 . 26947 1 71 . 1 1 15 15 LEU HD13 H 1 0.8790 0.01 . 2 . . . . 7 LEU HD11 . 26947 1 72 . 1 1 15 15 LEU HD21 H 1 0.8790 0.01 . 2 . . . . 7 LEU HD21 . 26947 1 73 . 1 1 15 15 LEU HD22 H 1 0.8790 0.01 . 2 . . . . 7 LEU HD21 . 26947 1 74 . 1 1 15 15 LEU HD23 H 1 0.8790 0.01 . 2 . . . . 7 LEU HD21 . 26947 1 75 . 1 1 15 15 LEU C C 13 176.8050 0.1 . 1 . . . . 7 LEU C . 26947 1 76 . 1 1 15 15 LEU CA C 13 55.5090 0.1 . 1 . . . . 7 LEU CA . 26947 1 77 . 1 1 15 15 LEU CB C 13 42.5470 0.1 . 1 . . . . 7 LEU CB . 26947 1 78 . 1 1 15 15 LEU CG C 13 27.0470 0.1 . 1 . . . . 7 LEU CG . 26947 1 79 . 1 1 15 15 LEU CD1 C 13 24.5510 0.1 . 2 . . . . 7 LEU CD1 . 26947 1 80 . 1 1 15 15 LEU CD2 C 13 24.5510 0.1 . 2 . . . . 7 LEU CD2 . 26947 1 81 . 1 1 15 15 LEU N N 15 120.5280 0.1 . 1 . . . . 7 LEU N . 26947 1 82 . 1 1 16 16 ASN H H 1 8.5740 0.01 . 1 . . . . 8 ASN HN . 26947 1 83 . 1 1 16 16 ASN HA H 1 4.7200 0.01 . 1 . . . . 8 ASN HA . 26947 1 84 . 1 1 16 16 ASN HB2 H 1 2.6950 0.01 . 2 . . . . 8 ASN HB1 . 26947 1 85 . 1 1 16 16 ASN HB3 H 1 2.8470 0.01 . 2 . . . . 8 ASN HB2 . 26947 1 86 . 1 1 16 16 ASN C C 13 174.0150 0.1 . 1 . . . . 8 ASN C . 26947 1 87 . 1 1 16 16 ASN CA C 13 53.4060 0.1 . 1 . . . . 8 ASN CA . 26947 1 88 . 1 1 16 16 ASN CB C 13 38.0120 0.1 . 1 . . . . 8 ASN CB . 26947 1 89 . 1 1 16 16 ASN N N 15 118.3420 0.1 . 1 . . . . 8 ASN N . 26947 1 90 . 1 1 17 17 VAL H H 1 7.8760 0.01 . 1 . . . . 9 VAL HN . 26947 1 91 . 1 1 17 17 VAL HA H 1 4.1670 0.01 . 1 . . . . 9 VAL HA . 26947 1 92 . 1 1 17 17 VAL HB H 1 1.8890 0.01 . 1 . . . . 9 VAL HB . 26947 1 93 . 1 1 17 17 VAL HG11 H 1 0.7830 0.01 . 2 . . . . 9 VAL HG11 . 26947 1 94 . 1 1 17 17 VAL HG12 H 1 0.7830 0.01 . 2 . . . . 9 VAL HG11 . 26947 1 95 . 1 1 17 17 VAL HG13 H 1 0.7830 0.01 . 2 . . . . 9 VAL HG11 . 26947 1 96 . 1 1 17 17 VAL HG21 H 1 0.7830 0.01 . 2 . . . . 9 VAL HG21 . 26947 1 97 . 1 1 17 17 VAL HG22 H 1 0.7830 0.01 . 2 . . . . 9 VAL HG21 . 26947 1 98 . 1 1 17 17 VAL HG23 H 1 0.7830 0.01 . 2 . . . . 9 VAL HG21 . 26947 1 99 . 1 1 17 17 VAL C C 13 174.6890 0.1 . 1 . . . . 9 VAL C . 26947 1 100 . 1 1 17 17 VAL CA C 13 61.2610 0.1 . 1 . . . . 9 VAL CA . 26947 1 101 . 1 1 17 17 VAL CB C 13 33.4460 0.1 . 1 . . . . 9 VAL CB . 26947 1 102 . 1 1 17 17 VAL CG1 C 13 21.1620 0.1 . 2 . . . . 9 VAL CG1 . 26947 1 103 . 1 1 17 17 VAL CG2 C 13 21.1620 0.1 . 2 . . . . 9 VAL CG2 . 26947 1 104 . 1 1 17 17 VAL N N 15 120.6220 0.1 . 1 . . . . 9 VAL N . 26947 1 105 . 1 1 18 18 GLU H H 1 8.6720 0.01 . 1 . . . . 10 GLU HN . 26947 1 106 . 1 1 18 18 GLU HA H 1 4.3200 0.01 . 1 . . . . 10 GLU HA . 26947 1 107 . 1 1 18 18 GLU C C 13 178.2050 0.1 . 1 . . . . 10 GLU C . 26947 1 108 . 1 1 18 18 GLU CA C 13 57.2390 0.1 . 1 . . . . 10 GLU CA . 26947 1 109 . 1 1 18 18 GLU CB C 13 30.0030 0.1 . 1 . . . . 10 GLU CB . 26947 1 110 . 1 1 18 18 GLU N N 15 127.2920 0.1 . 1 . . . . 10 GLU N . 26947 1 111 . 1 1 19 19 GLY HA2 H 1 4.0940 0.01 . 2 . . . . 11 GLY HA1 . 26947 1 112 . 1 1 19 19 GLY HA3 H 1 4.2460 0.01 . 2 . . . . 11 GLY HA2 . 26947 1 113 . 1 1 19 19 GLY C C 13 172.2290 0.1 . 1 . . . . 11 GLY C . 26947 1 114 . 1 1 19 19 GLY CA C 13 46.9060 0.1 . 1 . . . . 11 GLY CA . 26947 1 115 . 1 1 20 20 VAL H H 1 7.6660 0.01 . 1 . . . . 12 VAL HN . 26947 1 116 . 1 1 20 20 VAL HA H 1 5.6430 0.01 . 1 . . . . 12 VAL HA . 26947 1 117 . 1 1 20 20 VAL HB H 1 1.8680 0.01 . 1 . . . . 12 VAL HB . 26947 1 118 . 1 1 20 20 VAL HG11 H 1 0.6860 0.01 . 2 . . . . 12 VAL HG11 . 26947 1 119 . 1 1 20 20 VAL HG12 H 1 0.6860 0.01 . 2 . . . . 12 VAL HG11 . 26947 1 120 . 1 1 20 20 VAL HG13 H 1 0.6860 0.01 . 2 . . . . 12 VAL HG11 . 26947 1 121 . 1 1 20 20 VAL HG21 H 1 0.9690 0.01 . 2 . . . . 12 VAL HG21 . 26947 1 122 . 1 1 20 20 VAL HG22 H 1 0.9690 0.01 . 2 . . . . 12 VAL HG21 . 26947 1 123 . 1 1 20 20 VAL HG23 H 1 0.9690 0.01 . 2 . . . . 12 VAL HG21 . 26947 1 124 . 1 1 20 20 VAL C C 13 175.6310 0.1 . 1 . . . . 12 VAL C . 26947 1 125 . 1 1 20 20 VAL CA C 13 60.7600 0.1 . 1 . . . . 12 VAL CA . 26947 1 126 . 1 1 20 20 VAL CB C 13 35.4420 0.1 . 1 . . . . 12 VAL CB . 26947 1 127 . 1 1 20 20 VAL CG1 C 13 21.9060 0.1 . 2 . . . . 12 VAL CG1 . 26947 1 128 . 1 1 20 20 VAL CG2 C 13 22.1100 0.1 . 2 . . . . 12 VAL CG2 . 26947 1 129 . 1 1 20 20 VAL N N 15 116.6800 0.1 . 1 . . . . 12 VAL N . 26947 1 130 . 1 1 21 21 LYS H H 1 9.5220 0.01 . 1 . . . . 13 LYS HN . 26947 1 131 . 1 1 21 21 LYS HA H 1 4.9220 0.01 . 1 . . . . 13 LYS HA . 26947 1 132 . 1 1 21 21 LYS HB2 H 1 1.9410 0.01 . 2 . . . . 13 LYS HB1 . 26947 1 133 . 1 1 21 21 LYS HB3 H 1 1.9410 0.01 . 2 . . . . 13 LYS HB2 . 26947 1 134 . 1 1 21 21 LYS HG2 H 1 1.3900 0.01 . 2 . . . . 13 LYS HG1 . 26947 1 135 . 1 1 21 21 LYS HG3 H 1 1.3900 0.01 . 2 . . . . 13 LYS HG2 . 26947 1 136 . 1 1 21 21 LYS HD2 H 1 1.5170 0.01 . 2 . . . . 13 LYS HD1 . 26947 1 137 . 1 1 21 21 LYS HD3 H 1 1.5170 0.01 . 2 . . . . 13 LYS HD2 . 26947 1 138 . 1 1 21 21 LYS HE2 H 1 2.7100 0.01 . 2 . . . . 13 LYS HE1 . 26947 1 139 . 1 1 21 21 LYS HE3 H 1 2.7100 0.01 . 2 . . . . 13 LYS HE2 . 26947 1 140 . 1 1 21 21 LYS C C 13 174.8650 0.1 . 1 . . . . 13 LYS C . 26947 1 141 . 1 1 21 21 LYS CA C 13 55.2790 0.1 . 1 . . . . 13 LYS CA . 26947 1 142 . 1 1 21 21 LYS CB C 13 36.0230 0.1 . 1 . . . . 13 LYS CB . 26947 1 143 . 1 1 21 21 LYS CG C 13 24.9850 0.1 . 1 . . . . 13 LYS CG . 26947 1 144 . 1 1 21 21 LYS CD C 13 29.4800 0.1 . 1 . . . . 13 LYS CD . 26947 1 145 . 1 1 21 21 LYS CE C 13 41.9610 0.1 . 1 . . . . 13 LYS CE . 26947 1 146 . 1 1 21 21 LYS N N 15 126.5280 0.1 . 1 . . . . 13 LYS N . 26947 1 147 . 1 1 22 22 LYS H H 1 9.2260 0.01 . 1 . . . . 14 LYS HN . 26947 1 148 . 1 1 22 22 LYS HA H 1 5.0100 0.01 . 1 . . . . 14 LYS HA . 26947 1 149 . 1 1 22 22 LYS HB2 H 1 1.4340 0.01 . 2 . . . . 14 LYS HB1 . 26947 1 150 . 1 1 22 22 LYS HB3 H 1 1.7530 0.01 . 2 . . . . 14 LYS HB2 . 26947 1 151 . 1 1 22 22 LYS HG2 H 1 1.5000 0.01 . 2 . . . . 14 LYS HG1 . 26947 1 152 . 1 1 22 22 LYS HG3 H 1 1.5000 0.01 . 2 . . . . 14 LYS HG2 . 26947 1 153 . 1 1 22 22 LYS HE2 H 1 3.1900 0.01 . 2 . . . . 14 LYS HE1 . 26947 1 154 . 1 1 22 22 LYS HE3 H 1 3.1900 0.01 . 2 . . . . 14 LYS HE2 . 26947 1 155 . 1 1 22 22 LYS C C 13 175.0590 0.1 . 1 . . . . 14 LYS C . 26947 1 156 . 1 1 22 22 LYS CA C 13 55.1980 0.1 . 1 . . . . 14 LYS CA . 26947 1 157 . 1 1 22 22 LYS CB C 13 36.2120 0.1 . 1 . . . . 14 LYS CB . 26947 1 158 . 1 1 22 22 LYS CG C 13 26.4360 0.1 . 1 . . . . 14 LYS CG . 26947 1 159 . 1 1 22 22 LYS CE C 13 43.5470 0.1 . 1 . . . . 14 LYS CE . 26947 1 160 . 1 1 22 22 LYS N N 15 128.0620 0.1 . 1 . . . . 14 LYS N . 26947 1 161 . 1 1 23 23 THR H H 1 9.1240 0.01 . 1 . . . . 15 THR HN . 26947 1 162 . 1 1 23 23 THR HA H 1 4.3770 0.01 . 1 . . . . 15 THR HA . 26947 1 163 . 1 1 23 23 THR HB H 1 3.8350 0.01 . 1 . . . . 15 THR HB . 26947 1 164 . 1 1 23 23 THR HG21 H 1 1.0400 0.01 . 1 . . . . 15 THR HG21 . 26947 1 165 . 1 1 23 23 THR HG22 H 1 1.0400 0.01 . 1 . . . . 15 THR HG21 . 26947 1 166 . 1 1 23 23 THR HG23 H 1 1.0400 0.01 . 1 . . . . 15 THR HG21 . 26947 1 167 . 1 1 23 23 THR C C 13 173.5350 0.1 . 1 . . . . 15 THR C . 26947 1 168 . 1 1 23 23 THR CA C 13 61.7420 0.1 . 1 . . . . 15 THR CA . 26947 1 169 . 1 1 23 23 THR CB C 13 71.4010 0.1 . 1 . . . . 15 THR CB . 26947 1 170 . 1 1 23 23 THR CG2 C 13 20.9930 0.1 . 1 . . . . 15 THR CG2 . 26947 1 171 . 1 1 23 23 THR N N 15 124.3680 0.1 . 1 . . . . 15 THR N . 26947 1 172 . 1 1 24 24 ILE H H 1 9.1160 0.01 . 1 . . . . 16 ILE HN . 26947 1 173 . 1 1 24 24 ILE HA H 1 3.8060 0.01 . 1 . . . . 16 ILE HA . 26947 1 174 . 1 1 24 24 ILE HB H 1 1.7000 0.01 . 1 . . . . 16 ILE HB . 26947 1 175 . 1 1 24 24 ILE HG12 H 1 1.7060 0.01 . 2 . . . . 16 ILE HG11 . 26947 1 176 . 1 1 24 24 ILE HG13 H 1 1.7060 0.01 . 2 . . . . 16 ILE HG12 . 26947 1 177 . 1 1 24 24 ILE HG21 H 1 0.7460 0.01 . 1 . . . . 16 ILE HG21 . 26947 1 178 . 1 1 24 24 ILE HG22 H 1 0.7460 0.01 . 1 . . . . 16 ILE HG21 . 26947 1 179 . 1 1 24 24 ILE HG23 H 1 0.7460 0.01 . 1 . . . . 16 ILE HG21 . 26947 1 180 . 1 1 24 24 ILE HD11 H 1 0.8320 0.01 . 1 . . . . 16 ILE HD11 . 26947 1 181 . 1 1 24 24 ILE HD12 H 1 0.8320 0.01 . 1 . . . . 16 ILE HD11 . 26947 1 182 . 1 1 24 24 ILE HD13 H 1 0.8320 0.01 . 1 . . . . 16 ILE HD11 . 26947 1 183 . 1 1 24 24 ILE C C 13 175.1780 0.1 . 1 . . . . 16 ILE C . 26947 1 184 . 1 1 24 24 ILE CA C 13 63.6700 0.1 . 1 . . . . 16 ILE CA . 26947 1 185 . 1 1 24 24 ILE CB C 13 37.6850 0.1 . 1 . . . . 16 ILE CB . 26947 1 186 . 1 1 24 24 ILE CG1 C 13 29.7100 0.1 . 1 . . . . 16 ILE CG1 . 26947 1 187 . 1 1 24 24 ILE CG2 C 13 16.9180 0.1 . 1 . . . . 16 ILE CG2 . 26947 1 188 . 1 1 24 24 ILE CD1 C 13 12.6940 0.1 . 1 . . . . 16 ILE CD1 . 26947 1 189 . 1 1 24 24 ILE N N 15 127.8570 0.1 . 1 . . . . 16 ILE N . 26947 1 190 . 1 1 25 25 LEU H H 1 8.9250 0.01 . 1 . . . . 17 LEU HN . 26947 1 191 . 1 1 25 25 LEU HA H 1 4.3380 0.01 . 1 . . . . 17 LEU HA . 26947 1 192 . 1 1 25 25 LEU HB2 H 1 1.4240 0.01 . 2 . . . . 17 LEU HB1 . 26947 1 193 . 1 1 25 25 LEU HB3 H 1 1.4240 0.01 . 2 . . . . 17 LEU HB2 . 26947 1 194 . 1 1 25 25 LEU HD11 H 1 0.8860 0.01 . 2 . . . . 17 LEU HD11 . 26947 1 195 . 1 1 25 25 LEU HD12 H 1 0.8860 0.01 . 2 . . . . 17 LEU HD11 . 26947 1 196 . 1 1 25 25 LEU HD13 H 1 0.8860 0.01 . 2 . . . . 17 LEU HD11 . 26947 1 197 . 1 1 25 25 LEU HD21 H 1 0.6950 0.01 . 2 . . . . 17 LEU HD21 . 26947 1 198 . 1 1 25 25 LEU HD22 H 1 0.6950 0.01 . 2 . . . . 17 LEU HD21 . 26947 1 199 . 1 1 25 25 LEU HD23 H 1 0.6950 0.01 . 2 . . . . 17 LEU HD21 . 26947 1 200 . 1 1 25 25 LEU C C 13 177.2120 0.1 . 1 . . . . 17 LEU C . 26947 1 201 . 1 1 25 25 LEU CA C 13 55.8510 0.1 . 1 . . . . 17 LEU CA . 26947 1 202 . 1 1 25 25 LEU CB C 13 42.0230 0.1 . 1 . . . . 17 LEU CB . 26947 1 203 . 1 1 25 25 LEU CD1 C 13 26.1250 0.1 . 2 . . . . 17 LEU CD1 . 26947 1 204 . 1 1 25 25 LEU CD2 C 13 21.7650 0.1 . 2 . . . . 17 LEU CD2 . 26947 1 205 . 1 1 25 25 LEU N N 15 129.5280 0.1 . 1 . . . . 17 LEU N . 26947 1 206 . 1 1 26 26 HIS H H 1 8.1460 0.01 . 1 . . . . 18 HIS HN . 26947 1 207 . 1 1 26 26 HIS HA H 1 4.6370 0.01 . 1 . . . . 18 HIS HA . 26947 1 208 . 1 1 26 26 HIS HB2 H 1 2.9770 0.01 . 2 . . . . 18 HIS HB1 . 26947 1 209 . 1 1 26 26 HIS HB3 H 1 2.9770 0.01 . 2 . . . . 18 HIS HB2 . 26947 1 210 . 1 1 26 26 HIS C C 13 174.3650 0.1 . 1 . . . . 18 HIS C . 26947 1 211 . 1 1 26 26 HIS CA C 13 55.8890 0.1 . 1 . . . . 18 HIS CA . 26947 1 212 . 1 1 26 26 HIS CB C 13 33.0320 0.1 . 1 . . . . 18 HIS CB . 26947 1 213 . 1 1 26 26 HIS N N 15 118.5620 0.1 . 1 . . . . 18 HIS N . 26947 1 214 . 1 1 27 27 GLY H H 1 8.6470 0.01 . 1 . . . . 19 GLY HN . 26947 1 215 . 1 1 27 27 GLY HA2 H 1 3.6830 0.01 . 2 . . . . 19 GLY HA1 . 26947 1 216 . 1 1 27 27 GLY HA3 H 1 3.9870 0.01 . 2 . . . . 19 GLY HA2 . 26947 1 217 . 1 1 27 27 GLY C C 13 174.4670 0.1 . 1 . . . . 19 GLY C . 26947 1 218 . 1 1 27 27 GLY CA C 13 45.5220 0.1 . 1 . . . . 19 GLY CA . 26947 1 219 . 1 1 27 27 GLY N N 15 113.4700 0.1 . 1 . . . . 19 GLY N . 26947 1 220 . 1 1 28 28 GLY H H 1 9.4550 0.01 . 1 . . . . 20 GLY HN . 26947 1 221 . 1 1 28 28 GLY HA2 H 1 3.6310 0.01 . 2 . . . . 20 GLY HA1 . 26947 1 222 . 1 1 28 28 GLY HA3 H 1 4.2750 0.01 . 2 . . . . 20 GLY HA2 . 26947 1 223 . 1 1 28 28 GLY C C 13 173.1890 0.1 . 1 . . . . 20 GLY C . 26947 1 224 . 1 1 28 28 GLY CA C 13 44.3070 0.1 . 1 . . . . 20 GLY CA . 26947 1 225 . 1 1 28 28 GLY N N 15 109.7030 0.1 . 1 . . . . 20 GLY N . 26947 1 226 . 1 1 29 29 THR H H 1 8.5210 0.01 . 1 . . . . 21 THR HN . 26947 1 227 . 1 1 29 29 THR HA H 1 4.6000 0.01 . 1 . . . . 21 THR HA . 26947 1 228 . 1 1 29 29 THR HB H 1 4.1430 0.01 . 1 . . . . 21 THR HB . 26947 1 229 . 1 1 29 29 THR HG21 H 1 1.1800 0.01 . 1 . . . . 21 THR HG21 . 26947 1 230 . 1 1 29 29 THR HG22 H 1 1.1800 0.01 . 1 . . . . 21 THR HG21 . 26947 1 231 . 1 1 29 29 THR HG23 H 1 1.1800 0.01 . 1 . . . . 21 THR HG21 . 26947 1 232 . 1 1 29 29 THR C C 13 174.5450 0.1 . 1 . . . . 21 THR C . 26947 1 233 . 1 1 29 29 THR CA C 13 60.8810 0.1 . 1 . . . . 21 THR CA . 26947 1 234 . 1 1 29 29 THR CB C 13 70.9730 0.1 . 1 . . . . 21 THR CB . 26947 1 235 . 1 1 29 29 THR CG2 C 13 21.4220 0.1 . 1 . . . . 21 THR CG2 . 26947 1 236 . 1 1 29 29 THR N N 15 111.7350 0.1 . 1 . . . . 21 THR N . 26947 1 237 . 1 1 30 30 GLY H H 1 8.5790 0.01 . 1 . . . . 22 GLY HN . 26947 1 238 . 1 1 30 30 GLY HA2 H 1 3.8830 0.01 . 2 . . . . 22 GLY HA1 . 26947 1 239 . 1 1 30 30 GLY HA3 H 1 4.0700 0.01 . 2 . . . . 22 GLY HA2 . 26947 1 240 . 1 1 30 30 GLY C C 13 173.7900 0.1 . 1 . . . . 22 GLY C . 26947 1 241 . 1 1 30 30 GLY CA C 13 44.8480 0.1 . 1 . . . . 22 GLY CA . 26947 1 242 . 1 1 30 30 GLY N N 15 110.5620 0.1 . 1 . . . . 22 GLY N . 26947 1 243 . 1 1 31 31 GLU H H 1 8.3260 0.01 . 1 . . . . 23 GLU HN . 26947 1 244 . 1 1 31 31 GLU HA H 1 4.3400 0.01 . 1 . . . . 23 GLU HA . 26947 1 245 . 1 1 31 31 GLU HB2 H 1 1.7560 0.01 . 2 . . . . 23 GLU HB1 . 26947 1 246 . 1 1 31 31 GLU HB3 H 1 2.0480 0.01 . 2 . . . . 23 GLU HB2 . 26947 1 247 . 1 1 31 31 GLU C C 13 176.6490 0.1 . 1 . . . . 23 GLU C . 26947 1 248 . 1 1 31 31 GLU CA C 13 55.3830 0.1 . 1 . . . . 23 GLU CA . 26947 1 249 . 1 1 31 31 GLU CB C 13 30.7270 0.1 . 1 . . . . 23 GLU CB . 26947 1 250 . 1 1 31 31 GLU CG C 13 36.1060 0.1 . 1 . . . . 23 GLU CG . 26947 1 251 . 1 1 31 31 GLU N N 15 119.1060 0.1 . 1 . . . . 23 GLU N . 26947 1 252 . 1 1 32 32 LEU H H 1 8.7380 0.01 . 1 . . . . 24 LEU HN . 26947 1 253 . 1 1 32 32 LEU HA H 1 4.3100 0.01 . 1 . . . . 24 LEU HA . 26947 1 254 . 1 1 32 32 LEU HB2 H 1 1.4580 0.01 . 2 . . . . 24 LEU HB2 . 26947 1 255 . 1 1 32 32 LEU HD11 H 1 0.8900 0.01 . 2 . . . . 24 LEU HD11 . 26947 1 256 . 1 1 32 32 LEU HD12 H 1 0.8900 0.01 . 2 . . . . 24 LEU HD11 . 26947 1 257 . 1 1 32 32 LEU HD13 H 1 0.8900 0.01 . 2 . . . . 24 LEU HD11 . 26947 1 258 . 1 1 32 32 LEU HD21 H 1 0.8900 0.01 . 2 . . . . 24 LEU HD21 . 26947 1 259 . 1 1 32 32 LEU HD22 H 1 0.8900 0.01 . 2 . . . . 24 LEU HD21 . 26947 1 260 . 1 1 32 32 LEU HD23 H 1 0.8900 0.01 . 2 . . . . 24 LEU HD21 . 26947 1 261 . 1 1 32 32 LEU C C 13 175.2760 0.1 . 1 . . . . 24 LEU C . 26947 1 262 . 1 1 32 32 LEU CA C 13 54.5920 0.1 . 1 . . . . 24 LEU CA . 26947 1 263 . 1 1 32 32 LEU CB C 13 41.8840 0.1 . 1 . . . . 24 LEU CB . 26947 1 264 . 1 1 32 32 LEU CD1 C 13 25.0200 0.1 . 2 . . . . 24 LEU CD1 . 26947 1 265 . 1 1 32 32 LEU CD2 C 13 25.0200 0.1 . 2 . . . . 24 LEU CD2 . 26947 1 266 . 1 1 32 32 LEU N N 15 125.4160 0.1 . 1 . . . . 24 LEU N . 26947 1 267 . 1 1 34 34 ASN HA H 1 4.6580 0.01 . 1 . . . . 26 ASN HA . 26947 1 268 . 1 1 34 34 ASN HB2 H 1 2.5220 0.01 . 2 . . . . 26 ASN HB1 . 26947 1 269 . 1 1 34 34 ASN HB3 H 1 2.6850 0.01 . 2 . . . . 26 ASN HB2 . 26947 1 270 . 1 1 34 34 ASN C C 13 174.2610 0.1 . 1 . . . . 26 ASN C . 26947 1 271 . 1 1 34 34 ASN CA C 13 51.6210 0.1 . 1 . . . . 26 ASN CA . 26947 1 272 . 1 1 34 34 ASN CB C 13 37.8830 0.1 . 1 . . . . 26 ASN CB . 26947 1 273 . 1 1 35 35 PHE H H 1 7.8760 0.01 . 1 . . . . 27 PHE HN . 26947 1 274 . 1 1 35 35 PHE HA H 1 4.1640 0.01 . 1 . . . . 27 PHE HA . 26947 1 275 . 1 1 35 35 PHE HB2 H 1 2.6730 0.01 . 2 . . . . 27 PHE HB1 . 26947 1 276 . 1 1 35 35 PHE HB3 H 1 2.8570 0.01 . 2 . . . . 27 PHE HB2 . 26947 1 277 . 1 1 35 35 PHE C C 13 174.2610 0.1 . 1 . . . . 27 PHE C . 26947 1 278 . 1 1 35 35 PHE CA C 13 58.7310 0.1 . 1 . . . . 27 PHE CA . 26947 1 279 . 1 1 35 35 PHE CB C 13 38.9040 0.1 . 1 . . . . 27 PHE CB . 26947 1 280 . 1 1 35 35 PHE N N 15 123.0360 0.1 . 1 . . . . 27 PHE N . 26947 1 281 . 1 1 36 36 ILE HA H 1 4.6200 0.01 . 1 . . . . 28 ILE HA . 26947 1 282 . 1 1 36 36 ILE HB H 1 1.8870 0.01 . 1 . . . . 28 ILE HB . 26947 1 283 . 1 1 36 36 ILE HG12 H 1 1.1970 0.01 . 2 . . . . 28 ILE HG11 . 26947 1 284 . 1 1 36 36 ILE HG13 H 1 1.1970 0.01 . 2 . . . . 28 ILE HG12 . 26947 1 285 . 1 1 36 36 ILE HG21 H 1 0.7990 0.01 . 1 . . . . 28 ILE HG21 . 26947 1 286 . 1 1 36 36 ILE HG22 H 1 0.7990 0.01 . 1 . . . . 28 ILE HG21 . 26947 1 287 . 1 1 36 36 ILE HG23 H 1 0.7990 0.01 . 1 . . . . 28 ILE HG21 . 26947 1 288 . 1 1 36 36 ILE HD11 H 1 0.7930 0.01 . 1 . . . . 28 ILE HD11 . 26947 1 289 . 1 1 36 36 ILE HD12 H 1 0.7930 0.01 . 1 . . . . 28 ILE HD11 . 26947 1 290 . 1 1 36 36 ILE HD13 H 1 0.7930 0.01 . 1 . . . . 28 ILE HD11 . 26947 1 291 . 1 1 36 36 ILE CA C 13 59.4100 0.1 . 1 . . . . 28 ILE CA . 26947 1 292 . 1 1 36 36 ILE CB C 13 42.4960 0.1 . 1 . . . . 28 ILE CB . 26947 1 293 . 1 1 36 36 ILE CG1 C 13 25.3010 0.1 . 1 . . . . 28 ILE CG1 . 26947 1 294 . 1 1 36 36 ILE CG2 C 13 17.8870 0.1 . 1 . . . . 28 ILE CG2 . 26947 1 295 . 1 1 36 36 ILE CD1 C 13 14.0090 0.1 . 1 . . . . 28 ILE CD1 . 26947 1 296 . 1 1 37 37 THR HA H 1 3.5460 0.01 . 1 . . . . 29 THR HA . 26947 1 297 . 1 1 37 37 THR HB H 1 3.9210 0.01 . 1 . . . . 29 THR HB . 26947 1 298 . 1 1 37 37 THR HG21 H 1 1.2100 0.01 . 1 . . . . 29 THR HG21 . 26947 1 299 . 1 1 37 37 THR HG22 H 1 1.2100 0.01 . 1 . . . . 29 THR HG21 . 26947 1 300 . 1 1 37 37 THR HG23 H 1 1.2100 0.01 . 1 . . . . 29 THR HG21 . 26947 1 301 . 1 1 37 37 THR C C 13 174.6640 0.1 . 1 . . . . 29 THR C . 26947 1 302 . 1 1 37 37 THR CA C 13 65.7850 0.1 . 1 . . . . 29 THR CA . 26947 1 303 . 1 1 37 37 THR CB C 13 69.3980 0.1 . 1 . . . . 29 THR CB . 26947 1 304 . 1 1 37 37 THR CG2 C 13 22.6720 0.1 . 1 . . . . 29 THR CG2 . 26947 1 305 . 1 1 38 38 GLY H H 1 9.0760 0.01 . 1 . . . . 30 GLY HN . 26947 1 306 . 1 1 38 38 GLY HA2 H 1 3.5150 0.01 . 2 . . . . 30 GLY HA1 . 26947 1 307 . 1 1 38 38 GLY HA3 H 1 4.3970 0.01 . 2 . . . . 30 GLY HA2 . 26947 1 308 . 1 1 38 38 GLY C C 13 174.8330 0.1 . 1 . . . . 30 GLY C . 26947 1 309 . 1 1 38 38 GLY CA C 13 44.9740 0.1 . 1 . . . . 30 GLY CA . 26947 1 310 . 1 1 38 38 GLY N N 15 115.1790 0.1 . 1 . . . . 30 GLY N . 26947 1 311 . 1 1 39 39 SER H H 1 8.6070 0.01 . 1 . . . . 31 SER HN . 26947 1 312 . 1 1 39 39 SER HA H 1 4.3910 0.01 . 1 . . . . 31 SER HA . 26947 1 313 . 1 1 39 39 SER HB2 H 1 3.8240 0.01 . 2 . . . . 31 SER HB1 . 26947 1 314 . 1 1 39 39 SER HB3 H 1 3.8230 0.01 . 2 . . . . 31 SER HB2 . 26947 1 315 . 1 1 39 39 SER C C 13 171.9230 0.1 . 1 . . . . 31 SER C . 26947 1 316 . 1 1 39 39 SER CA C 13 62.0940 0.1 . 1 . . . . 31 SER CA . 26947 1 317 . 1 1 39 39 SER CB C 13 63.4830 0.1 . 1 . . . . 31 SER CB . 26947 1 318 . 1 1 39 39 SER N N 15 118.7040 0.1 . 1 . . . . 31 SER N . 26947 1 319 . 1 1 40 40 ARG H H 1 8.6450 0.01 . 1 . . . . 32 ARG HN . 26947 1 320 . 1 1 40 40 ARG HA H 1 5.1340 0.01 . 1 . . . . 32 ARG HA . 26947 1 321 . 1 1 40 40 ARG HB2 H 1 1.7470 0.01 . 2 . . . . 32 ARG HB1 . 26947 1 322 . 1 1 40 40 ARG HB3 H 1 1.9030 0.01 . 2 . . . . 32 ARG HB2 . 26947 1 323 . 1 1 40 40 ARG HG2 H 1 1.3400 0.01 . 2 . . . . 32 ARG HG1 . 26947 1 324 . 1 1 40 40 ARG HG3 H 1 1.5400 0.01 . 2 . . . . 32 ARG HG2 . 26947 1 325 . 1 1 40 40 ARG HD2 H 1 3.0840 0.01 . 2 . . . . 32 ARG HD1 . 26947 1 326 . 1 1 40 40 ARG HD3 H 1 3.1740 0.01 . 2 . . . . 32 ARG HD2 . 26947 1 327 . 1 1 40 40 ARG C C 13 174.7820 0.1 . 1 . . . . 32 ARG C . 26947 1 328 . 1 1 40 40 ARG CA C 13 54.9740 0.1 . 1 . . . . 32 ARG CA . 26947 1 329 . 1 1 40 40 ARG CB C 13 32.4110 0.1 . 1 . . . . 32 ARG CB . 26947 1 330 . 1 1 40 40 ARG CG C 13 27.8500 0.1 . 1 . . . . 32 ARG CG . 26947 1 331 . 1 1 40 40 ARG CD C 13 43.3850 0.1 . 1 . . . . 32 ARG CD . 26947 1 332 . 1 1 40 40 ARG N N 15 124.6990 0.1 . 1 . . . . 32 ARG N . 26947 1 333 . 1 1 41 41 VAL H H 1 9.2900 0.01 . 1 . . . . 33 VAL HN . 26947 1 334 . 1 1 41 41 VAL HA H 1 4.6680 0.01 . 1 . . . . 33 VAL HA . 26947 1 335 . 1 1 41 41 VAL HB H 1 2.1100 0.01 . 1 . . . . 33 VAL HB . 26947 1 336 . 1 1 41 41 VAL HG11 H 1 1.0000 0.01 . 2 . . . . 33 VAL HG11 . 26947 1 337 . 1 1 41 41 VAL HG12 H 1 1.0000 0.01 . 2 . . . . 33 VAL HG11 . 26947 1 338 . 1 1 41 41 VAL HG13 H 1 1.0000 0.01 . 2 . . . . 33 VAL HG11 . 26947 1 339 . 1 1 41 41 VAL HG21 H 1 1.0200 0.01 . 2 . . . . 33 VAL HG21 . 26947 1 340 . 1 1 41 41 VAL HG22 H 1 1.0200 0.01 . 2 . . . . 33 VAL HG21 . 26947 1 341 . 1 1 41 41 VAL HG23 H 1 1.0200 0.01 . 2 . . . . 33 VAL HG21 . 26947 1 342 . 1 1 41 41 VAL C C 13 174.2210 0.1 . 1 . . . . 33 VAL C . 26947 1 343 . 1 1 41 41 VAL CA C 13 61.9820 0.1 . 1 . . . . 33 VAL CA . 26947 1 344 . 1 1 41 41 VAL CB C 13 33.4380 0.1 . 1 . . . . 33 VAL CB . 26947 1 345 . 1 1 41 41 VAL CG1 C 13 23.8420 0.1 . 2 . . . . 33 VAL CG1 . 26947 1 346 . 1 1 41 41 VAL CG2 C 13 21.6660 0.1 . 2 . . . . 33 VAL CG2 . 26947 1 347 . 1 1 41 41 VAL N N 15 127.0130 0.1 . 1 . . . . 33 VAL N . 26947 1 348 . 1 1 42 42 ILE H H 1 8.7540 0.01 . 1 . . . . 34 ILE HN . 26947 1 349 . 1 1 42 42 ILE HA H 1 5.2540 0.01 . 1 . . . . 34 ILE HA . 26947 1 350 . 1 1 42 42 ILE HB H 1 1.6610 0.01 . 1 . . . . 34 ILE HB . 26947 1 351 . 1 1 42 42 ILE HG12 H 1 1.6590 0.01 . 2 . . . . 34 ILE HG11 . 26947 1 352 . 1 1 42 42 ILE HG13 H 1 1.6590 0.01 . 2 . . . . 34 ILE HG12 . 26947 1 353 . 1 1 42 42 ILE HG21 H 1 0.6880 0.01 . 1 . . . . 34 ILE HG21 . 26947 1 354 . 1 1 42 42 ILE HG22 H 1 0.6880 0.01 . 1 . . . . 34 ILE HG21 . 26947 1 355 . 1 1 42 42 ILE HG23 H 1 0.6880 0.01 . 1 . . . . 34 ILE HG21 . 26947 1 356 . 1 1 42 42 ILE HD11 H 1 0.5720 0.01 . 1 . . . . 34 ILE HD11 . 26947 1 357 . 1 1 42 42 ILE HD12 H 1 0.5720 0.01 . 1 . . . . 34 ILE HD11 . 26947 1 358 . 1 1 42 42 ILE HD13 H 1 0.5720 0.01 . 1 . . . . 34 ILE HD11 . 26947 1 359 . 1 1 42 42 ILE C C 13 176.0790 0.1 . 1 . . . . 34 ILE C . 26947 1 360 . 1 1 42 42 ILE CA C 13 60.7000 0.1 . 1 . . . . 34 ILE CA . 26947 1 361 . 1 1 42 42 ILE CB C 13 39.5740 0.1 . 1 . . . . 34 ILE CB . 26947 1 362 . 1 1 42 42 ILE CG1 C 13 27.4100 0.1 . 1 . . . . 34 ILE CG1 . 26947 1 363 . 1 1 42 42 ILE CG2 C 13 17.9470 0.1 . 1 . . . . 34 ILE CG2 . 26947 1 364 . 1 1 42 42 ILE CD1 C 13 13.4990 0.1 . 1 . . . . 34 ILE CD1 . 26947 1 365 . 1 1 42 42 ILE N N 15 126.9140 0.1 . 1 . . . . 34 ILE N . 26947 1 366 . 1 1 43 43 PHE H H 1 8.9770 0.01 . 1 . . . . 35 PHE HN . 26947 1 367 . 1 1 43 43 PHE HA H 1 5.5440 0.01 . 1 . . . . 35 PHE HA . 26947 1 368 . 1 1 43 43 PHE HB2 H 1 2.9360 0.01 . 2 . . . . 35 PHE HB1 . 26947 1 369 . 1 1 43 43 PHE HB3 H 1 3.2030 0.01 . 2 . . . . 35 PHE HB2 . 26947 1 370 . 1 1 43 43 PHE C C 13 172.2920 0.1 . 1 . . . . 35 PHE C . 26947 1 371 . 1 1 43 43 PHE CA C 13 56.2760 0.1 . 1 . . . . 35 PHE CA . 26947 1 372 . 1 1 43 43 PHE CB C 13 41.5760 0.1 . 1 . . . . 35 PHE CB . 26947 1 373 . 1 1 43 43 PHE N N 15 123.2760 0.1 . 1 . . . . 35 PHE N . 26947 1 374 . 1 1 44 44 HIS H H 1 8.8510 0.01 . 1 . . . . 36 HIS HN . 26947 1 375 . 1 1 44 44 HIS HA H 1 5.4600 0.01 . 1 . . . . 36 HIS HA . 26947 1 376 . 1 1 44 44 HIS HB2 H 1 2.8100 0.01 . 2 . . . . 36 HIS HB1 . 26947 1 377 . 1 1 44 44 HIS HB3 H 1 3.0690 0.01 . 2 . . . . 36 HIS HB2 . 26947 1 378 . 1 1 44 44 HIS C C 13 176.0700 0.1 . 1 . . . . 36 HIS C . 26947 1 379 . 1 1 44 44 HIS CA C 13 54.7640 0.1 . 1 . . . . 36 HIS CA . 26947 1 380 . 1 1 44 44 HIS CB C 13 35.6530 0.1 . 1 . . . . 36 HIS CB . 26947 1 381 . 1 1 44 44 HIS N N 15 118.3320 0.1 . 1 . . . . 36 HIS N . 26947 1 382 . 1 1 45 45 PHE H H 1 9.8680 0.01 . 1 . . . . 37 PHE HN . 26947 1 383 . 1 1 45 45 PHE HA H 1 6.1840 0.01 . 1 . . . . 37 PHE HA . 26947 1 384 . 1 1 45 45 PHE HB2 H 1 3.2500 0.01 . 2 . . . . 37 PHE HB1 . 26947 1 385 . 1 1 45 45 PHE HB3 H 1 3.0860 0.01 . 2 . . . . 37 PHE HB2 . 26947 1 386 . 1 1 45 45 PHE C C 13 171.6770 0.1 . 1 . . . . 37 PHE C . 26947 1 387 . 1 1 45 45 PHE CA C 13 56.2520 0.1 . 1 . . . . 37 PHE CA . 26947 1 388 . 1 1 45 45 PHE CB C 13 44.5440 0.1 . 1 . . . . 37 PHE CB . 26947 1 389 . 1 1 45 45 PHE N N 15 117.3360 0.1 . 1 . . . . 37 PHE N . 26947 1 390 . 1 1 46 46 ARG H H 1 8.8760 0.01 . 1 . . . . 38 ARG HN . 26947 1 391 . 1 1 46 46 ARG HA H 1 5.0200 0.01 . 1 . . . . 38 ARG HA . 26947 1 392 . 1 1 46 46 ARG HB2 H 1 1.8410 0.01 . 2 . . . . 38 ARG HB1 . 26947 1 393 . 1 1 46 46 ARG HB3 H 1 1.8410 0.01 . 2 . . . . 38 ARG HB2 . 26947 1 394 . 1 1 46 46 ARG C C 13 174.2870 0.1 . 1 . . . . 38 ARG C . 26947 1 395 . 1 1 46 46 ARG CA C 13 54.7930 0.1 . 1 . . . . 38 ARG CA . 26947 1 396 . 1 1 46 46 ARG CB C 13 34.7700 0.1 . 1 . . . . 38 ARG CB . 26947 1 397 . 1 1 46 46 ARG CD C 13 44.3500 0.1 . 1 . . . . 38 ARG CD . 26947 1 398 . 1 1 46 46 ARG N N 15 121.5440 0.1 . 1 . . . . 38 ARG N . 26947 1 399 . 1 1 47 47 THR H H 1 9.1750 0.01 . 1 . . . . 39 THR HN . 26947 1 400 . 1 1 47 47 THR HA H 1 4.9990 0.01 . 1 . . . . 39 THR HA . 26947 1 401 . 1 1 47 47 THR HB H 1 4.0090 0.01 . 1 . . . . 39 THR HB . 26947 1 402 . 1 1 47 47 THR HG21 H 1 0.5000 0.01 . 1 . . . . 39 THR HG21 . 26947 1 403 . 1 1 47 47 THR HG22 H 1 0.5000 0.01 . 1 . . . . 39 THR HG21 . 26947 1 404 . 1 1 47 47 THR HG23 H 1 0.5000 0.01 . 1 . . . . 39 THR HG21 . 26947 1 405 . 1 1 47 47 THR C C 13 174.4310 0.1 . 1 . . . . 39 THR C . 26947 1 406 . 1 1 47 47 THR CA C 13 61.0720 0.1 . 1 . . . . 39 THR CA . 26947 1 407 . 1 1 47 47 THR CB C 13 70.6360 0.1 . 1 . . . . 39 THR CB . 26947 1 408 . 1 1 47 47 THR CG2 C 13 23.9050 0.1 . 1 . . . . 39 THR CG2 . 26947 1 409 . 1 1 47 47 THR N N 15 123.8310 0.1 . 1 . . . . 39 THR N . 26947 1 410 . 1 1 48 48 MET H H 1 9.6830 0.01 . 1 . . . . 40 MET HN . 26947 1 411 . 1 1 48 48 MET HA H 1 5.2990 0.01 . 1 . . . . 40 MET HA . 26947 1 412 . 1 1 48 48 MET HB2 H 1 1.6350 0.01 . 2 . . . . 40 MET HB1 . 26947 1 413 . 1 1 48 48 MET HB3 H 1 1.9480 0.01 . 2 . . . . 40 MET HB2 . 26947 1 414 . 1 1 48 48 MET HG2 H 1 2.0540 0.01 . 2 . . . . 40 MET HG1 . 26947 1 415 . 1 1 48 48 MET HG3 H 1 2.6250 0.01 . 2 . . . . 40 MET HG2 . 26947 1 416 . 1 1 48 48 MET HE1 H 1 1.9260 0.01 . 1 . . . . 40 MET HE1 . 26947 1 417 . 1 1 48 48 MET HE2 H 1 1.9260 0.01 . 1 . . . . 40 MET HE1 . 26947 1 418 . 1 1 48 48 MET HE3 H 1 1.9260 0.01 . 1 . . . . 40 MET HE1 . 26947 1 419 . 1 1 48 48 MET C C 13 174.6990 0.1 . 1 . . . . 40 MET C . 26947 1 420 . 1 1 48 48 MET CA C 13 53.8490 0.1 . 1 . . . . 40 MET CA . 26947 1 421 . 1 1 48 48 MET CB C 13 36.9710 0.1 . 1 . . . . 40 MET CB . 26947 1 422 . 1 1 48 48 MET CG C 13 32.1740 0.1 . 1 . . . . 40 MET CG . 26947 1 423 . 1 1 48 48 MET CE C 13 17.0560 0.1 . 1 . . . . 40 MET CE . 26947 1 424 . 1 1 48 48 MET N N 15 127.3450 0.1 . 1 . . . . 40 MET N . 26947 1 425 . 1 1 49 49 LYS H H 1 8.4400 0.01 . 1 . . . . 41 LYS HN . 26947 1 426 . 1 1 49 49 LYS HA H 1 4.2860 0.01 . 1 . . . . 41 LYS HA . 26947 1 427 . 1 1 49 49 LYS HB2 H 1 1.7610 0.01 . 2 . . . . 41 LYS HB1 . 26947 1 428 . 1 1 49 49 LYS HB3 H 1 1.7610 0.01 . 2 . . . . 41 LYS HB2 . 26947 1 429 . 1 1 49 49 LYS C C 13 176.0670 0.1 . 1 . . . . 41 LYS C . 26947 1 430 . 1 1 49 49 LYS CA C 13 56.5710 0.1 . 1 . . . . 41 LYS CA . 26947 1 431 . 1 1 49 49 LYS CB C 13 34.3350 0.1 . 1 . . . . 41 LYS CB . 26947 1 432 . 1 1 49 49 LYS CG C 13 26.6680 0.1 . 1 . . . . 41 LYS CG . 26947 1 433 . 1 1 49 49 LYS CD C 13 29.4050 0.1 . 1 . . . . 41 LYS CD . 26947 1 434 . 1 1 49 49 LYS CE C 13 41.7180 0.1 . 1 . . . . 41 LYS CE . 26947 1 435 . 1 1 49 49 LYS N N 15 117.5960 0.1 . 1 . . . . 41 LYS N . 26947 1 436 . 1 1 50 50 CYS H H 1 8.8360 0.01 . 1 . . . . 42 CYS HN . 26947 1 437 . 1 1 50 50 CYS HA H 1 4.6000 0.01 . 1 . . . . 42 CYS HA . 26947 1 438 . 1 1 50 50 CYS HB2 H 1 2.6720 0.01 . 2 . . . . 42 CYS HB1 . 26947 1 439 . 1 1 50 50 CYS HB3 H 1 3.1400 0.01 . 2 . . . . 42 CYS HB2 . 26947 1 440 . 1 1 50 50 CYS C C 13 175.3700 0.1 . 1 . . . . 42 CYS C . 26947 1 441 . 1 1 50 50 CYS CA C 13 57.9580 0.1 . 1 . . . . 42 CYS CA . 26947 1 442 . 1 1 50 50 CYS CB C 13 26.1970 0.1 . 1 . . . . 42 CYS CB . 26947 1 443 . 1 1 50 50 CYS N N 15 118.4450 0.1 . 1 . . . . 42 CYS N . 26947 1 444 . 1 1 51 51 ASP H H 1 7.9400 0.01 . 1 . . . . 43 ASP HN . 26947 1 445 . 1 1 51 51 ASP HA H 1 4.6640 0.01 . 1 . . . . 43 ASP HA . 26947 1 446 . 1 1 51 51 ASP HB2 H 1 2.7380 0.01 . 2 . . . . 43 ASP HB1 . 26947 1 447 . 1 1 51 51 ASP HB3 H 1 3.1030 0.01 . 2 . . . . 43 ASP HB2 . 26947 1 448 . 1 1 51 51 ASP C C 13 177.1350 0.1 . 1 . . . . 43 ASP C . 26947 1 449 . 1 1 51 51 ASP CA C 13 51.8420 0.1 . 1 . . . . 43 ASP CA . 26947 1 450 . 1 1 51 51 ASP CB C 13 40.4530 0.1 . 1 . . . . 43 ASP CB . 26947 1 451 . 1 1 51 51 ASP N N 15 118.9270 0.1 . 1 . . . . 43 ASP N . 26947 1 452 . 1 1 52 52 GLU H H 1 8.7490 0.01 . 1 . . . . 44 GLU HN . 26947 1 453 . 1 1 52 52 GLU HA H 1 3.8920 0.01 . 1 . . . . 44 GLU HA . 26947 1 454 . 1 1 52 52 GLU HB2 H 1 1.9870 0.01 . 2 . . . . 44 GLU HB1 . 26947 1 455 . 1 1 52 52 GLU HB3 H 1 1.9870 0.01 . 2 . . . . 44 GLU HB2 . 26947 1 456 . 1 1 52 52 GLU C C 13 178.4300 0.1 . 1 . . . . 44 GLU C . 26947 1 457 . 1 1 52 52 GLU CA C 13 60.1100 0.1 . 1 . . . . 44 GLU CA . 26947 1 458 . 1 1 52 52 GLU CB C 13 29.3460 0.1 . 1 . . . . 44 GLU CB . 26947 1 459 . 1 1 52 52 GLU CG C 13 36.5830 0.1 . 1 . . . . 44 GLU CG . 26947 1 460 . 1 1 52 52 GLU N N 15 121.3840 0.1 . 1 . . . . 44 GLU N . 26947 1 461 . 1 1 53 53 GLU H H 1 8.1060 0.01 . 1 . . . . 45 GLU HN . 26947 1 462 . 1 1 53 53 GLU HA H 1 4.0520 0.01 . 1 . . . . 45 GLU HA . 26947 1 463 . 1 1 53 53 GLU HB2 H 1 1.7610 0.01 . 2 . . . . 45 GLU HB1 . 26947 1 464 . 1 1 53 53 GLU HB3 H 1 2.0260 0.01 . 2 . . . . 45 GLU HB2 . 26947 1 465 . 1 1 53 53 GLU C C 13 175.2300 0.1 . 1 . . . . 45 GLU C . 26947 1 466 . 1 1 53 53 GLU CA C 13 56.6180 0.1 . 1 . . . . 45 GLU CA . 26947 1 467 . 1 1 53 53 GLU CB C 13 29.5010 0.1 . 1 . . . . 45 GLU CB . 26947 1 468 . 1 1 53 53 GLU CG C 13 36.9410 0.1 . 1 . . . . 45 GLU CG . 26947 1 469 . 1 1 53 53 GLU N N 15 114.6100 0.1 . 1 . . . . 45 GLU N . 26947 1 470 . 1 1 54 54 ARG H H 1 7.8130 0.01 . 1 . . . . 46 ARG HN . 26947 1 471 . 1 1 54 54 ARG HA H 1 4.1020 0.01 . 1 . . . . 46 ARG HA . 26947 1 472 . 1 1 54 54 ARG HB2 H 1 1.6270 0.01 . 2 . . . . 46 ARG HB1 . 26947 1 473 . 1 1 54 54 ARG HB3 H 1 1.9210 0.01 . 2 . . . . 46 ARG HB2 . 26947 1 474 . 1 1 54 54 ARG C C 13 175.4990 0.1 . 1 . . . . 46 ARG C . 26947 1 475 . 1 1 54 54 ARG CA C 13 55.9700 0.1 . 1 . . . . 46 ARG CA . 26947 1 476 . 1 1 54 54 ARG CB C 13 27.5010 0.1 . 1 . . . . 46 ARG CB . 26947 1 477 . 1 1 54 54 ARG CD C 13 44.1590 0.1 . 1 . . . . 46 ARG CD . 26947 1 478 . 1 1 54 54 ARG N N 15 121.3630 0.1 . 1 . . . . 46 ARG N . 26947 1 479 . 1 1 55 55 THR H H 1 9.4640 0.01 . 1 . . . . 47 THR HN . 26947 1 480 . 1 1 55 55 THR HA H 1 3.5790 0.01 . 1 . . . . 47 THR HA . 26947 1 481 . 1 1 55 55 THR HB H 1 3.6870 0.01 . 1 . . . . 47 THR HB . 26947 1 482 . 1 1 55 55 THR HG21 H 1 1.0800 0.01 . 1 . . . . 47 THR HG21 . 26947 1 483 . 1 1 55 55 THR HG22 H 1 1.0800 0.01 . 1 . . . . 47 THR HG21 . 26947 1 484 . 1 1 55 55 THR HG23 H 1 1.0800 0.01 . 1 . . . . 47 THR HG21 . 26947 1 485 . 1 1 55 55 THR C C 13 175.2300 0.1 . 1 . . . . 47 THR C . 26947 1 486 . 1 1 55 55 THR CA C 13 65.1230 0.1 . 1 . . . . 47 THR CA . 26947 1 487 . 1 1 55 55 THR CB C 13 69.0460 0.1 . 1 . . . . 47 THR CB . 26947 1 488 . 1 1 55 55 THR CG2 C 13 21.3310 0.1 . 1 . . . . 47 THR CG2 . 26947 1 489 . 1 1 55 55 THR N N 15 118.3260 0.1 . 1 . . . . 47 THR N . 26947 1 490 . 1 1 56 56 VAL H H 1 8.5330 0.01 . 1 . . . . 48 VAL HN . 26947 1 491 . 1 1 56 56 VAL HA H 1 4.0810 0.01 . 1 . . . . 48 VAL HA . 26947 1 492 . 1 1 56 56 VAL HB H 1 2.0130 0.01 . 1 . . . . 48 VAL HB . 26947 1 493 . 1 1 56 56 VAL HG11 H 1 1.0540 0.01 . 2 . . . . 48 VAL HG11 . 26947 1 494 . 1 1 56 56 VAL HG12 H 1 1.0540 0.01 . 2 . . . . 48 VAL HG11 . 26947 1 495 . 1 1 56 56 VAL HG13 H 1 1.0540 0.01 . 2 . . . . 48 VAL HG11 . 26947 1 496 . 1 1 56 56 VAL HG21 H 1 0.8560 0.01 . 2 . . . . 48 VAL HG21 . 26947 1 497 . 1 1 56 56 VAL HG22 H 1 0.8560 0.01 . 2 . . . . 48 VAL HG21 . 26947 1 498 . 1 1 56 56 VAL HG23 H 1 0.8560 0.01 . 2 . . . . 48 VAL HG21 . 26947 1 499 . 1 1 56 56 VAL C C 13 176.1490 0.1 . 1 . . . . 48 VAL C . 26947 1 500 . 1 1 56 56 VAL CA C 13 63.2360 0.1 . 1 . . . . 48 VAL CA . 26947 1 501 . 1 1 56 56 VAL CB C 13 32.5340 0.1 . 1 . . . . 48 VAL CB . 26947 1 502 . 1 1 56 56 VAL CG1 C 13 23.1040 0.1 . 2 . . . . 48 VAL CG1 . 26947 1 503 . 1 1 56 56 VAL CG2 C 13 21.5840 0.1 . 2 . . . . 48 VAL CG2 . 26947 1 504 . 1 1 56 56 VAL N N 15 127.3420 0.1 . 1 . . . . 48 VAL N . 26947 1 505 . 1 1 57 57 ILE H H 1 9.1610 0.01 . 1 . . . . 49 ILE HN . 26947 1 506 . 1 1 57 57 ILE HA H 1 4.0980 0.01 . 1 . . . . 49 ILE HA . 26947 1 507 . 1 1 57 57 ILE HB H 1 1.5250 0.01 . 1 . . . . 49 ILE HB . 26947 1 508 . 1 1 57 57 ILE HG12 H 1 1.5160 0.01 . 2 . . . . 49 ILE HG11 . 26947 1 509 . 1 1 57 57 ILE HG13 H 1 1.5160 0.01 . 2 . . . . 49 ILE HG12 . 26947 1 510 . 1 1 57 57 ILE HG21 H 1 0.9150 0.01 . 1 . . . . 49 ILE HG21 . 26947 1 511 . 1 1 57 57 ILE HG22 H 1 0.9150 0.01 . 1 . . . . 49 ILE HG21 . 26947 1 512 . 1 1 57 57 ILE HG23 H 1 0.9150 0.01 . 1 . . . . 49 ILE HG21 . 26947 1 513 . 1 1 57 57 ILE HD11 H 1 0.6290 0.01 . 1 . . . . 49 ILE HD11 . 26947 1 514 . 1 1 57 57 ILE HD12 H 1 0.6290 0.01 . 1 . . . . 49 ILE HD11 . 26947 1 515 . 1 1 57 57 ILE HD13 H 1 0.6290 0.01 . 1 . . . . 49 ILE HD11 . 26947 1 516 . 1 1 57 57 ILE C C 13 174.8280 0.1 . 1 . . . . 49 ILE C . 26947 1 517 . 1 1 57 57 ILE CA C 13 61.4890 0.1 . 1 . . . . 49 ILE CA . 26947 1 518 . 1 1 57 57 ILE CB C 13 38.4710 0.1 . 1 . . . . 49 ILE CB . 26947 1 519 . 1 1 57 57 ILE CG1 C 13 26.6950 0.1 . 1 . . . . 49 ILE CG1 . 26947 1 520 . 1 1 57 57 ILE CG2 C 13 17.5180 0.1 . 1 . . . . 49 ILE CG2 . 26947 1 521 . 1 1 57 57 ILE CD1 C 13 12.2620 0.1 . 1 . . . . 49 ILE CD1 . 26947 1 522 . 1 1 57 57 ILE N N 15 127.6050 0.1 . 1 . . . . 49 ILE N . 26947 1 523 . 1 1 58 58 ASP H H 1 7.2360 0.01 . 1 . . . . 50 ASP HN . 26947 1 524 . 1 1 58 58 ASP HA H 1 5.0200 0.01 . 1 . . . . 50 ASP HA . 26947 1 525 . 1 1 58 58 ASP HB2 H 1 2.4950 0.01 . 2 . . . . 50 ASP HB1 . 26947 1 526 . 1 1 58 58 ASP HB3 H 1 2.4950 0.01 . 2 . . . . 50 ASP HB2 . 26947 1 527 . 1 1 58 58 ASP C C 13 174.3470 0.1 . 1 . . . . 50 ASP C . 26947 1 528 . 1 1 58 58 ASP CA C 13 54.2070 0.1 . 1 . . . . 50 ASP CA . 26947 1 529 . 1 1 58 58 ASP CB C 13 46.4070 0.1 . 1 . . . . 50 ASP CB . 26947 1 530 . 1 1 58 58 ASP N N 15 114.4160 0.1 . 1 . . . . 50 ASP N . 26947 1 531 . 1 1 59 59 ASP H H 1 8.5360 0.01 . 1 . . . . 51 ASP HN . 26947 1 532 . 1 1 59 59 ASP HA H 1 4.9750 0.01 . 1 . . . . 51 ASP HA . 26947 1 533 . 1 1 59 59 ASP HB2 H 1 2.4760 0.01 . 2 . . . . 51 ASP HB1 . 26947 1 534 . 1 1 59 59 ASP HB3 H 1 2.7490 0.01 . 2 . . . . 51 ASP HB2 . 26947 1 535 . 1 1 59 59 ASP C C 13 177.2970 0.1 . 1 . . . . 51 ASP C . 26947 1 536 . 1 1 59 59 ASP CA C 13 53.6210 0.1 . 1 . . . . 51 ASP CA . 26947 1 537 . 1 1 59 59 ASP CB C 13 43.0110 0.1 . 1 . . . . 51 ASP CB . 26947 1 538 . 1 1 59 59 ASP N N 15 118.3490 0.1 . 1 . . . . 51 ASP N . 26947 1 539 . 1 1 60 60 SER H H 1 9.0690 0.01 . 1 . . . . 52 SER HN . 26947 1 540 . 1 1 60 60 SER HA H 1 3.9700 0.01 . 1 . . . . 52 SER HA . 26947 1 541 . 1 1 60 60 SER HB2 H 1 3.5760 0.01 . 2 . . . . 52 SER HB1 . 26947 1 542 . 1 1 60 60 SER HB3 H 1 4.6420 0.01 . 2 . . . . 52 SER HB2 . 26947 1 543 . 1 1 60 60 SER C C 13 176.6930 0.1 . 1 . . . . 52 SER C . 26947 1 544 . 1 1 60 60 SER CA C 13 62.6680 0.1 . 1 . . . . 52 SER CA . 26947 1 545 . 1 1 60 60 SER CB C 13 61.4280 0.1 . 1 . . . . 52 SER CB . 26947 1 546 . 1 1 60 60 SER N N 15 123.9800 0.1 . 1 . . . . 52 SER N . 26947 1 547 . 1 1 61 61 ARG H H 1 8.3920 0.01 . 1 . . . . 53 ARG HN . 26947 1 548 . 1 1 61 61 ARG HA H 1 3.6040 0.01 . 1 . . . . 53 ARG HA . 26947 1 549 . 1 1 61 61 ARG HB2 H 1 1.5290 0.01 . 2 . . . . 53 ARG HB1 . 26947 1 550 . 1 1 61 61 ARG HB3 H 1 1.5290 0.01 . 2 . . . . 53 ARG HB2 . 26947 1 551 . 1 1 61 61 ARG C C 13 179.2580 0.1 . 1 . . . . 53 ARG C . 26947 1 552 . 1 1 61 61 ARG CA C 13 59.2690 0.1 . 1 . . . . 53 ARG CA . 26947 1 553 . 1 1 61 61 ARG CB C 13 29.2610 0.1 . 1 . . . . 53 ARG CB . 26947 1 554 . 1 1 61 61 ARG CD C 13 43.0590 0.1 . 1 . . . . 53 ARG CD . 26947 1 555 . 1 1 61 61 ARG N N 15 122.6970 0.1 . 1 . . . . 53 ARG N . 26947 1 556 . 1 1 62 62 GLN H H 1 7.4780 0.01 . 1 . . . . 54 GLN HN . 26947 1 557 . 1 1 62 62 GLN HA H 1 3.9970 0.01 . 1 . . . . 54 GLN HA . 26947 1 558 . 1 1 62 62 GLN HB2 H 1 2.1030 0.01 . 2 . . . . 54 GLN HB1 . 26947 1 559 . 1 1 62 62 GLN HB3 H 1 2.2380 0.01 . 2 . . . . 54 GLN HB2 . 26947 1 560 . 1 1 62 62 GLN C C 13 177.6110 0.1 . 1 . . . . 54 GLN C . 26947 1 561 . 1 1 62 62 GLN CA C 13 57.9560 0.1 . 1 . . . . 54 GLN CA . 26947 1 562 . 1 1 62 62 GLN CB C 13 28.3340 0.1 . 1 . . . . 54 GLN CB . 26947 1 563 . 1 1 62 62 GLN CG C 13 33.9290 0.1 . 1 . . . . 54 GLN CG . 26947 1 564 . 1 1 62 62 GLN N N 15 118.7920 0.1 . 1 . . . . 54 GLN N . 26947 1 565 . 1 1 63 63 VAL H H 1 7.4450 0.01 . 1 . . . . 55 VAL HN . 26947 1 566 . 1 1 63 63 VAL HA H 1 3.9350 0.01 . 1 . . . . 55 VAL HA . 26947 1 567 . 1 1 63 63 VAL HB H 1 2.2880 0.01 . 1 . . . . 55 VAL HB . 26947 1 568 . 1 1 63 63 VAL HG11 H 1 0.9830 0.01 . 2 . . . . 55 VAL HG11 . 26947 1 569 . 1 1 63 63 VAL HG12 H 1 0.9830 0.01 . 2 . . . . 55 VAL HG11 . 26947 1 570 . 1 1 63 63 VAL HG13 H 1 0.9830 0.01 . 2 . . . . 55 VAL HG11 . 26947 1 571 . 1 1 63 63 VAL HG21 H 1 1.0470 0.01 . 2 . . . . 55 VAL HG21 . 26947 1 572 . 1 1 63 63 VAL HG22 H 1 1.0470 0.01 . 2 . . . . 55 VAL HG21 . 26947 1 573 . 1 1 63 63 VAL HG23 H 1 1.0470 0.01 . 2 . . . . 55 VAL HG21 . 26947 1 574 . 1 1 63 63 VAL C C 13 177.4350 0.1 . 1 . . . . 55 VAL C . 26947 1 575 . 1 1 63 63 VAL CA C 13 64.2610 0.1 . 1 . . . . 55 VAL CA . 26947 1 576 . 1 1 63 63 VAL CB C 13 31.8520 0.1 . 1 . . . . 55 VAL CB . 26947 1 577 . 1 1 63 63 VAL CG1 C 13 21.8200 0.1 . 2 . . . . 55 VAL CG1 . 26947 1 578 . 1 1 63 63 VAL CG2 C 13 21.8200 0.1 . 2 . . . . 55 VAL CG2 . 26947 1 579 . 1 1 63 63 VAL N N 15 116.7910 0.1 . 1 . . . . 55 VAL N . 26947 1 580 . 1 1 64 64 GLY H H 1 7.7630 0.01 . 1 . . . . 56 GLY HN . 26947 1 581 . 1 1 64 64 GLY HA2 H 1 3.6330 0.01 . 2 . . . . 56 GLY HA1 . 26947 1 582 . 1 1 64 64 GLY HA3 H 1 4.3260 0.01 . 2 . . . . 56 GLY HA2 . 26947 1 583 . 1 1 64 64 GLY C C 13 173.6150 0.1 . 1 . . . . 56 GLY C . 26947 1 584 . 1 1 64 64 GLY CA C 13 45.5400 0.1 . 1 . . . . 56 GLY CA . 26947 1 585 . 1 1 64 64 GLY N N 15 105.4780 0.1 . 1 . . . . 56 GLY N . 26947 1 586 . 1 1 65 65 GLN H H 1 7.5110 0.01 . 1 . . . . 57 GLN HN . 26947 1 587 . 1 1 65 65 GLN HA H 1 4.8500 0.01 . 1 . . . . 57 GLN HA . 26947 1 588 . 1 1 65 65 GLN C C 13 171.5180 0.1 . 1 . . . . 57 GLN C . 26947 1 589 . 1 1 65 65 GLN CA C 13 52.6180 0.1 . 1 . . . . 57 GLN CA . 26947 1 590 . 1 1 65 65 GLN CB C 13 30.6340 0.1 . 1 . . . . 57 GLN CB . 26947 1 591 . 1 1 65 65 GLN N N 15 118.3270 0.1 . 1 . . . . 57 GLN N . 26947 1 592 . 1 1 66 66 PRO HA H 1 3.9110 0.01 . 1 . . . . 58 PRO HA . 26947 1 593 . 1 1 66 66 PRO HB2 H 1 0.8440 0.01 . 2 . . . . 58 PRO HB1 . 26947 1 594 . 1 1 66 66 PRO HB3 H 1 1.4190 0.01 . 2 . . . . 58 PRO HB2 . 26947 1 595 . 1 1 66 66 PRO C C 13 175.8550 0.1 . 1 . . . . 58 PRO C . 26947 1 596 . 1 1 66 66 PRO CA C 13 62.0780 0.1 . 1 . . . . 58 PRO CA . 26947 1 597 . 1 1 66 66 PRO CB C 13 31.7310 0.1 . 1 . . . . 58 PRO CB . 26947 1 598 . 1 1 66 66 PRO CG C 13 26.4960 0.1 . 1 . . . . 58 PRO CG . 26947 1 599 . 1 1 66 66 PRO CD C 13 49.9040 0.1 . 1 . . . . 58 PRO CD . 26947 1 600 . 1 1 67 67 MET H H 1 8.1950 0.01 . 1 . . . . 59 MET HN . 26947 1 601 . 1 1 67 67 MET HA H 1 4.4520 0.01 . 1 . . . . 59 MET HA . 26947 1 602 . 1 1 67 67 MET HB2 H 1 0.9980 0.01 . 2 . . . . 59 MET HB1 . 26947 1 603 . 1 1 67 67 MET HB3 H 1 1.0870 0.01 . 2 . . . . 59 MET HB2 . 26947 1 604 . 1 1 67 67 MET HG2 H 1 2.1950 0.01 . 2 . . . . 59 MET HG1 . 26947 1 605 . 1 1 67 67 MET HG3 H 1 2.3703 0.01 . 2 . . . . 59 MET HG2 . 26947 1 606 . 1 1 67 67 MET HE1 H 1 1.9860 0.01 . 1 . . . . 59 MET HE1 . 26947 1 607 . 1 1 67 67 MET HE2 H 1 1.9860 0.01 . 1 . . . . 59 MET HE1 . 26947 1 608 . 1 1 67 67 MET HE3 H 1 1.9860 0.01 . 1 . . . . 59 MET HE1 . 26947 1 609 . 1 1 67 67 MET C C 13 173.8030 0.1 . 1 . . . . 59 MET C . 26947 1 610 . 1 1 67 67 MET CA C 13 52.9690 0.1 . 1 . . . . 59 MET CA . 26947 1 611 . 1 1 67 67 MET CB C 13 33.3570 0.1 . 1 . . . . 59 MET CB . 26947 1 612 . 1 1 67 67 MET CG C 13 33.8370 0.1 . 1 . . . . 59 MET CG . 26947 1 613 . 1 1 67 67 MET CE C 13 18.1760 0.1 . 1 . . . . 59 MET CE . 26947 1 614 . 1 1 67 67 MET N N 15 119.6890 0.1 . 1 . . . . 59 MET N . 26947 1 615 . 1 1 68 68 HIS H H 1 7.6790 0.01 . 1 . . . . 60 HIS HN . 26947 1 616 . 1 1 68 68 HIS HA H 1 5.7920 0.01 . 1 . . . . 60 HIS HA . 26947 1 617 . 1 1 68 68 HIS HB2 H 1 2.8870 0.01 . 2 . . . . 60 HIS HB1 . 26947 1 618 . 1 1 68 68 HIS HB3 H 1 2.8140 0.01 . 2 . . . . 60 HIS HB2 . 26947 1 619 . 1 1 68 68 HIS C C 13 174.8670 0.1 . 1 . . . . 60 HIS C . 26947 1 620 . 1 1 68 68 HIS CA C 13 54.7930 0.1 . 1 . . . . 60 HIS CA . 26947 1 621 . 1 1 68 68 HIS CB C 13 33.5760 0.1 . 1 . . . . 60 HIS CB . 26947 1 622 . 1 1 68 68 HIS N N 15 117.3340 0.1 . 1 . . . . 60 HIS N . 26947 1 623 . 1 1 69 69 ILE H H 1 8.8320 0.01 . 1 . . . . 61 ILE HN . 26947 1 624 . 1 1 69 69 ILE HA H 1 4.6780 0.01 . 1 . . . . 61 ILE HA . 26947 1 625 . 1 1 69 69 ILE HB H 1 2.1660 0.01 . 1 . . . . 61 ILE HB . 26947 1 626 . 1 1 69 69 ILE HG12 H 1 2.1900 0.01 . 2 . . . . 61 ILE HG11 . 26947 1 627 . 1 1 69 69 ILE HG13 H 1 2.1900 0.01 . 2 . . . . 61 ILE HG12 . 26947 1 628 . 1 1 69 69 ILE HG21 H 1 0.9000 0.01 . 1 . . . . 61 ILE HG21 . 26947 1 629 . 1 1 69 69 ILE HG22 H 1 0.9000 0.01 . 1 . . . . 61 ILE HG21 . 26947 1 630 . 1 1 69 69 ILE HG23 H 1 0.9000 0.01 . 1 . . . . 61 ILE HG21 . 26947 1 631 . 1 1 69 69 ILE HD11 H 1 0.8210 0.01 . 1 . . . . 61 ILE HD11 . 26947 1 632 . 1 1 69 69 ILE HD12 H 1 0.8210 0.01 . 1 . . . . 61 ILE HD11 . 26947 1 633 . 1 1 69 69 ILE HD13 H 1 0.8210 0.01 . 1 . . . . 61 ILE HD11 . 26947 1 634 . 1 1 69 69 ILE C C 13 173.8710 0.1 . 1 . . . . 61 ILE C . 26947 1 635 . 1 1 69 69 ILE CA C 13 58.5720 0.1 . 1 . . . . 61 ILE CA . 26947 1 636 . 1 1 69 69 ILE CB C 13 42.9010 0.1 . 1 . . . . 61 ILE CB . 26947 1 637 . 1 1 69 69 ILE CG2 C 13 20.5360 0.1 . 1 . . . . 61 ILE CG2 . 26947 1 638 . 1 1 69 69 ILE CD1 C 13 15.0190 0.1 . 1 . . . . 61 ILE CD1 . 26947 1 639 . 1 1 69 69 ILE N N 15 114.4600 0.1 . 1 . . . . 61 ILE N . 26947 1 640 . 1 1 70 70 ILE H H 1 8.5420 0.01 . 1 . . . . 62 ILE HN . 26947 1 641 . 1 1 70 70 ILE HA H 1 5.0310 0.01 . 1 . . . . 62 ILE HA . 26947 1 642 . 1 1 70 70 ILE HB H 1 1.7740 0.01 . 1 . . . . 62 ILE HB . 26947 1 643 . 1 1 70 70 ILE HG12 H 1 1.4920 0.01 . 2 . . . . 62 ILE HG11 . 26947 1 644 . 1 1 70 70 ILE HG13 H 1 1.7430 0.01 . 2 . . . . 62 ILE HG12 . 26947 1 645 . 1 1 70 70 ILE HG21 H 1 0.7560 0.01 . 1 . . . . 62 ILE HG21 . 26947 1 646 . 1 1 70 70 ILE HG22 H 1 0.7560 0.01 . 1 . . . . 62 ILE HG21 . 26947 1 647 . 1 1 70 70 ILE HG23 H 1 0.7560 0.01 . 1 . . . . 62 ILE HG21 . 26947 1 648 . 1 1 70 70 ILE HD11 H 1 0.8240 0.01 . 1 . . . . 62 ILE HD11 . 26947 1 649 . 1 1 70 70 ILE HD12 H 1 0.8240 0.01 . 1 . . . . 62 ILE HD11 . 26947 1 650 . 1 1 70 70 ILE HD13 H 1 0.8240 0.01 . 1 . . . . 62 ILE HD11 . 26947 1 651 . 1 1 70 70 ILE C C 13 177.0550 0.1 . 1 . . . . 62 ILE C . 26947 1 652 . 1 1 70 70 ILE CA C 13 58.5150 0.1 . 1 . . . . 62 ILE CA . 26947 1 653 . 1 1 70 70 ILE CB C 13 38.8790 0.1 . 1 . . . . 62 ILE CB . 26947 1 654 . 1 1 70 70 ILE CG1 C 13 24.6250 0.1 . 1 . . . . 62 ILE CG1 . 26947 1 655 . 1 1 70 70 ILE CG2 C 13 17.1310 0.1 . 1 . . . . 62 ILE CG2 . 26947 1 656 . 1 1 70 70 ILE CD1 C 13 11.9420 0.1 . 1 . . . . 62 ILE CD1 . 26947 1 657 . 1 1 70 70 ILE N N 15 123.0110 0.1 . 1 . . . . 62 ILE N . 26947 1 658 . 1 1 71 71 ILE H H 1 8.6290 0.01 . 1 . . . . 63 ILE HN . 26947 1 659 . 1 1 71 71 ILE HA H 1 4.1140 0.01 . 1 . . . . 63 ILE HA . 26947 1 660 . 1 1 71 71 ILE HB H 1 2.1550 0.01 . 1 . . . . 63 ILE HB . 26947 1 661 . 1 1 71 71 ILE HG12 H 1 1.3130 0.01 . 2 . . . . 63 ILE HG11 . 26947 1 662 . 1 1 71 71 ILE HG13 H 1 1.3170 0.01 . 2 . . . . 63 ILE HG12 . 26947 1 663 . 1 1 71 71 ILE HG21 H 1 0.5730 0.01 . 1 . . . . 63 ILE HG21 . 26947 1 664 . 1 1 71 71 ILE HG22 H 1 0.5730 0.01 . 1 . . . . 63 ILE HG21 . 26947 1 665 . 1 1 71 71 ILE HG23 H 1 0.5730 0.01 . 1 . . . . 63 ILE HG21 . 26947 1 666 . 1 1 71 71 ILE HD11 H 1 0.5490 0.01 . 1 . . . . 63 ILE HD11 . 26947 1 667 . 1 1 71 71 ILE HD12 H 1 0.5490 0.01 . 1 . . . . 63 ILE HD11 . 26947 1 668 . 1 1 71 71 ILE HD13 H 1 0.5490 0.01 . 1 . . . . 63 ILE HD11 . 26947 1 669 . 1 1 71 71 ILE C C 13 178.0530 0.1 . 1 . . . . 63 ILE C . 26947 1 670 . 1 1 71 71 ILE CA C 13 60.1040 0.1 . 1 . . . . 63 ILE CA . 26947 1 671 . 1 1 71 71 ILE CB C 13 35.9810 0.1 . 1 . . . . 63 ILE CB . 26947 1 672 . 1 1 71 71 ILE CG1 C 13 27.2430 0.1 . 1 . . . . 63 ILE CG1 . 26947 1 673 . 1 1 71 71 ILE CG2 C 13 16.7400 0.1 . 1 . . . . 63 ILE CG2 . 26947 1 674 . 1 1 71 71 ILE CD1 C 13 10.1390 0.1 . 1 . . . . 63 ILE CD1 . 26947 1 675 . 1 1 71 71 ILE N N 15 127.6620 0.1 . 1 . . . . 63 ILE N . 26947 1 676 . 1 1 77 77 LEU HD11 H 1 0.5695 0.01 . 2 . . . . 69 LEU HD11 . 26947 1 677 . 1 1 77 77 LEU HD12 H 1 0.5695 0.01 . 2 . . . . 69 LEU HD11 . 26947 1 678 . 1 1 77 77 LEU HD13 H 1 0.5695 0.01 . 2 . . . . 69 LEU HD11 . 26947 1 679 . 1 1 77 77 LEU HD21 H 1 0.5411 0.01 . 2 . . . . 69 LEU HD21 . 26947 1 680 . 1 1 77 77 LEU HD22 H 1 0.5411 0.01 . 2 . . . . 69 LEU HD21 . 26947 1 681 . 1 1 77 77 LEU HD23 H 1 0.5411 0.01 . 2 . . . . 69 LEU HD21 . 26947 1 682 . 1 1 77 77 LEU CD1 C 13 23.7543 0.1 . 2 . . . . 69 LEU CD1 . 26947 1 683 . 1 1 77 77 LEU CD2 C 13 26.4700 0.1 . 2 . . . . 69 LEU CD2 . 26947 1 684 . 1 1 83 83 LEU HD11 H 1 0.1666 0.01 . 2 . . . . 75 LEU HD11 . 26947 1 685 . 1 1 83 83 LEU HD12 H 1 0.1666 0.01 . 2 . . . . 75 LEU HD11 . 26947 1 686 . 1 1 83 83 LEU HD13 H 1 0.1666 0.01 . 2 . . . . 75 LEU HD11 . 26947 1 687 . 1 1 83 83 LEU HD21 H 1 0.0730 0.01 . 2 . . . . 75 LEU HD21 . 26947 1 688 . 1 1 83 83 LEU HD22 H 1 0.0730 0.01 . 2 . . . . 75 LEU HD21 . 26947 1 689 . 1 1 83 83 LEU HD23 H 1 0.0730 0.01 . 2 . . . . 75 LEU HD21 . 26947 1 690 . 1 1 83 83 LEU CD1 C 13 21.6741 0.1 . 2 . . . . 75 LEU CD1 . 26947 1 691 . 1 1 83 83 LEU CD2 C 13 23.9611 0.1 . 2 . . . . 75 LEU CD2 . 26947 1 692 . 1 1 84 84 LEU HA H 1 3.5570 0.01 . 1 . . . . 76 LEU HA . 26947 1 693 . 1 1 84 84 LEU HB2 H 1 0.91 0.01 . 2 . . . . 76 LEU HB1 . 26947 1 694 . 1 1 84 84 LEU HB3 H 1 1.356 0.01 . 2 . . . . 76 LEU HB2 . 26947 1 695 . 1 1 84 84 LEU HD11 H 1 0.011 0.01 . 2 . . . . 76 LEU HD11 . 26947 1 696 . 1 1 84 84 LEU HD12 H 1 0.011 0.01 . 2 . . . . 76 LEU HD11 . 26947 1 697 . 1 1 84 84 LEU HD13 H 1 0.011 0.01 . 2 . . . . 76 LEU HD11 . 26947 1 698 . 1 1 84 84 LEU HD21 H 1 0.121 0.01 . 2 . . . . 76 LEU HD21 . 26947 1 699 . 1 1 84 84 LEU HD22 H 1 0.121 0.01 . 2 . . . . 76 LEU HD21 . 26947 1 700 . 1 1 84 84 LEU HD23 H 1 0.121 0.01 . 2 . . . . 76 LEU HD21 . 26947 1 701 . 1 1 84 84 LEU C C 13 177.1620 0.1 . 1 . . . . 76 LEU C . 26947 1 702 . 1 1 84 84 LEU CA C 13 58.3060 0.1 . 1 . . . . 76 LEU CA . 26947 1 703 . 1 1 84 84 LEU CB C 13 42.5470 0.1 . 1 . . . . 76 LEU CB . 26947 1 704 . 1 1 84 84 LEU CD1 C 13 22.688 0.1 . 2 . . . . 76 LEU CD1 . 26947 1 705 . 1 1 84 84 LEU CD2 C 13 25.787 0.1 . 2 . . . . 76 LEU CD2 . 26947 1 706 . 1 1 85 85 THR H H 1 7.3680 0.01 . 1 . . . . 77 THR HN . 26947 1 707 . 1 1 85 85 THR HA H 1 2.8300 0.01 . 1 . . . . 77 THR HA . 26947 1 708 . 1 1 85 85 THR HB H 1 3.7590 0.01 . 1 . . . . 77 THR HB . 26947 1 709 . 1 1 85 85 THR HG21 H 1 0.4050 0.01 . 1 . . . . 77 THR HG21 . 26947 1 710 . 1 1 85 85 THR HG22 H 1 0.4050 0.01 . 1 . . . . 77 THR HG21 . 26947 1 711 . 1 1 85 85 THR HG23 H 1 0.4050 0.01 . 1 . . . . 77 THR HG21 . 26947 1 712 . 1 1 85 85 THR C C 13 173.0700 0.1 . 1 . . . . 77 THR C . 26947 1 713 . 1 1 85 85 THR CA C 13 62.4000 0.1 . 1 . . . . 77 THR CA . 26947 1 714 . 1 1 85 85 THR CB C 13 68.3910 0.1 . 1 . . . . 77 THR CB . 26947 1 715 . 1 1 85 85 THR CG2 C 13 20.4120 0.1 . 1 . . . . 77 THR CG2 . 26947 1 716 . 1 1 85 85 THR N N 15 101.8760 0.1 . 1 . . . . 77 THR N . 26947 1 717 . 1 1 86 86 SER H H 1 7.0830 0.01 . 1 . . . . 78 SER HN . 26947 1 718 . 1 1 86 86 SER HA H 1 4.5320 0.01 . 1 . . . . 78 SER HA . 26947 1 719 . 1 1 86 86 SER HB2 H 1 3.9120 0.01 . 2 . . . . 78 SER HB1 . 26947 1 720 . 1 1 86 86 SER HB3 H 1 4.2430 0.01 . 2 . . . . 78 SER HB2 . 26947 1 721 . 1 1 86 86 SER C C 13 174.0960 0.1 . 1 . . . . 78 SER C . 26947 1 722 . 1 1 86 86 SER CA C 13 58.4120 0.1 . 1 . . . . 78 SER CA . 26947 1 723 . 1 1 86 86 SER CB C 13 65.5630 0.1 . 1 . . . . 78 SER CB . 26947 1 724 . 1 1 86 86 SER N N 15 113.9170 0.1 . 1 . . . . 78 SER N . 26947 1 725 . 1 1 87 87 MET H H 1 7.4540 0.01 . 1 . . . . 79 MET HN . 26947 1 726 . 1 1 87 87 MET HA H 1 4.5080 0.01 . 1 . . . . 79 MET HA . 26947 1 727 . 1 1 87 87 MET HB2 H 1 2.1270 0.01 . 2 . . . . 79 MET HB1 . 26947 1 728 . 1 1 87 87 MET HB3 H 1 2.2910 0.01 . 2 . . . . 79 MET HB2 . 26947 1 729 . 1 1 87 87 MET HG2 H 1 2.3800 0.01 . 2 . . . . 79 MET HG1 . 26947 1 730 . 1 1 87 87 MET HG3 H 1 2.3800 0.01 . 2 . . . . 79 MET HG2 . 26947 1 731 . 1 1 87 87 MET HE1 H 1 2.1860 0.01 . 1 . . . . 79 MET HE1 . 26947 1 732 . 1 1 87 87 MET HE2 H 1 2.1860 0.01 . 1 . . . . 79 MET HE1 . 26947 1 733 . 1 1 87 87 MET HE3 H 1 2.1860 0.01 . 1 . . . . 79 MET HE1 . 26947 1 734 . 1 1 87 87 MET C C 13 173.4590 0.1 . 1 . . . . 79 MET C . 26947 1 735 . 1 1 87 87 MET CA C 13 56.8960 0.1 . 1 . . . . 79 MET CA . 26947 1 736 . 1 1 87 87 MET CB C 13 35.5440 0.1 . 1 . . . . 79 MET CB . 26947 1 737 . 1 1 87 87 MET CG C 13 32.7820 0.1 . 1 . . . . 79 MET CG . 26947 1 738 . 1 1 87 87 MET CE C 13 18.1020 0.1 . 1 . . . . 79 MET CE . 26947 1 739 . 1 1 87 87 MET N N 15 123.6800 0.1 . 1 . . . . 79 MET N . 26947 1 740 . 1 1 88 88 ARG H H 1 7.4640 0.01 . 1 . . . . 80 ARG HN . 26947 1 741 . 1 1 88 88 ARG HA H 1 4.3100 0.01 . 1 . . . . 80 ARG HA . 26947 1 742 . 1 1 88 88 ARG HB2 H 1 1.5990 0.01 . 2 . . . . 80 ARG HB1 . 26947 1 743 . 1 1 88 88 ARG HB3 H 1 1.9630 0.01 . 2 . . . . 80 ARG HB2 . 26947 1 744 . 1 1 88 88 ARG C C 13 176.8670 0.1 . 1 . . . . 80 ARG C . 26947 1 745 . 1 1 88 88 ARG CA C 13 54.9240 0.1 . 1 . . . . 80 ARG CA . 26947 1 746 . 1 1 88 88 ARG CB C 13 32.5990 0.1 . 1 . . . . 80 ARG CB . 26947 1 747 . 1 1 88 88 ARG CG C 13 29.6730 0.1 . 1 . . . . 80 ARG CG . 26947 1 748 . 1 1 88 88 ARG CD C 13 43.8820 0.1 . 1 . . . . 80 ARG CD . 26947 1 749 . 1 1 88 88 ARG N N 15 115.8180 0.1 . 1 . . . . 80 ARG N . 26947 1 750 . 1 1 89 89 VAL H H 1 8.3930 0.01 . 1 . . . . 81 VAL HN . 26947 1 751 . 1 1 89 89 VAL HA H 1 3.1830 0.01 . 1 . . . . 81 VAL HA . 26947 1 752 . 1 1 89 89 VAL HB H 1 1.7160 0.01 . 1 . . . . 81 VAL HB . 26947 1 753 . 1 1 89 89 VAL HG11 H 1 0.8500 0.01 . 2 . . . . 81 VAL HG11 . 26947 1 754 . 1 1 89 89 VAL HG12 H 1 0.8500 0.01 . 2 . . . . 81 VAL HG11 . 26947 1 755 . 1 1 89 89 VAL HG13 H 1 0.8500 0.01 . 2 . . . . 81 VAL HG11 . 26947 1 756 . 1 1 89 89 VAL HG21 H 1 0.3710 0.01 . 2 . . . . 81 VAL HG21 . 26947 1 757 . 1 1 89 89 VAL HG22 H 1 0.3710 0.01 . 2 . . . . 81 VAL HG21 . 26947 1 758 . 1 1 89 89 VAL HG23 H 1 0.3710 0.01 . 2 . . . . 81 VAL HG21 . 26947 1 759 . 1 1 89 89 VAL C C 13 176.2380 0.1 . 1 . . . . 81 VAL C . 26947 1 760 . 1 1 89 89 VAL CA C 13 66.7480 0.1 . 1 . . . . 81 VAL CA . 26947 1 761 . 1 1 89 89 VAL CB C 13 30.6220 0.1 . 1 . . . . 81 VAL CB . 26947 1 762 . 1 1 89 89 VAL CG1 C 13 22.6700 0.1 . 2 . . . . 81 VAL CG1 . 26947 1 763 . 1 1 89 89 VAL CG2 C 13 20.9230 0.1 . 2 . . . . 81 VAL CG2 . 26947 1 764 . 1 1 89 89 VAL N N 15 120.8610 0.1 . 1 . . . . 81 VAL N . 26947 1 765 . 1 1 90 90 HIS H H 1 8.5780 0.01 . 1 . . . . 82 HIS HN . 26947 1 766 . 1 1 90 90 HIS HA H 1 4.4210 0.01 . 1 . . . . 82 HIS HA . 26947 1 767 . 1 1 90 90 HIS HB2 H 1 3.4880 0.01 . 2 . . . . 82 HIS HB1 . 26947 1 768 . 1 1 90 90 HIS HB3 H 1 3.9210 0.01 . 2 . . . . 82 HIS HB2 . 26947 1 769 . 1 1 90 90 HIS C C 13 174.2350 0.1 . 1 . . . . 82 HIS C . 26947 1 770 . 1 1 90 90 HIS CA C 13 58.6980 0.1 . 1 . . . . 82 HIS CA . 26947 1 771 . 1 1 90 90 HIS CB C 13 27.9280 0.1 . 1 . . . . 82 HIS CB . 26947 1 772 . 1 1 90 90 HIS N N 15 117.1200 0.1 . 1 . . . . 82 HIS N . 26947 1 773 . 1 1 91 91 GLU H H 1 8.3320 0.01 . 1 . . . . 83 GLU HN . 26947 1 774 . 1 1 91 91 GLU HA H 1 4.4500 0.01 . 1 . . . . 83 GLU HA . 26947 1 775 . 1 1 91 91 GLU HB2 H 1 2.0880 0.01 . 2 . . . . 83 GLU HB1 . 26947 1 776 . 1 1 91 91 GLU HB3 H 1 2.4860 0.01 . 2 . . . . 83 GLU HB2 . 26947 1 777 . 1 1 91 91 GLU C C 13 174.9800 0.1 . 1 . . . . 83 GLU C . 26947 1 778 . 1 1 91 91 GLU CA C 13 56.6210 0.1 . 1 . . . . 83 GLU CA . 26947 1 779 . 1 1 91 91 GLU CB C 13 33.9810 0.1 . 1 . . . . 83 GLU CB . 26947 1 780 . 1 1 91 91 GLU CG C 13 37.8990 0.1 . 1 . . . . 83 GLU CG . 26947 1 781 . 1 1 91 91 GLU N N 15 123.0820 0.1 . 1 . . . . 83 GLU N . 26947 1 782 . 1 1 92 92 VAL H H 1 8.8300 0.01 . 1 . . . . 84 VAL HN . 26947 1 783 . 1 1 92 92 VAL HA H 1 5.2720 0.01 . 1 . . . . 84 VAL HA . 26947 1 784 . 1 1 92 92 VAL HB H 1 1.9870 0.01 . 1 . . . . 84 VAL HB . 26947 1 785 . 1 1 92 92 VAL HG11 H 1 0.8480 0.01 . 2 . . . . 84 VAL HG11 . 26947 1 786 . 1 1 92 92 VAL HG12 H 1 0.8480 0.01 . 2 . . . . 84 VAL HG11 . 26947 1 787 . 1 1 92 92 VAL HG13 H 1 0.8480 0.01 . 2 . . . . 84 VAL HG11 . 26947 1 788 . 1 1 92 92 VAL HG21 H 1 0.9600 0.01 . 2 . . . . 84 VAL HG21 . 26947 1 789 . 1 1 92 92 VAL HG22 H 1 0.9600 0.01 . 2 . . . . 84 VAL HG21 . 26947 1 790 . 1 1 92 92 VAL HG23 H 1 0.9600 0.01 . 2 . . . . 84 VAL HG21 . 26947 1 791 . 1 1 92 92 VAL C C 13 175.8480 0.1 . 1 . . . . 84 VAL C . 26947 1 792 . 1 1 92 92 VAL CA C 13 60.8250 0.1 . 1 . . . . 84 VAL CA . 26947 1 793 . 1 1 92 92 VAL CB C 13 33.1210 0.1 . 1 . . . . 84 VAL CB . 26947 1 794 . 1 1 92 92 VAL CG1 C 13 21.4700 0.1 . 2 . . . . 84 VAL CG1 . 26947 1 795 . 1 1 92 92 VAL CG2 C 13 22.1000 0.1 . 2 . . . . 84 VAL CG2 . 26947 1 796 . 1 1 92 92 VAL N N 15 123.4740 0.1 . 1 . . . . 84 VAL N . 26947 1 797 . 1 1 93 93 ALA H H 1 9.3650 0.01 . 1 . . . . 85 ALA HN . 26947 1 798 . 1 1 93 93 ALA HA H 1 5.0090 0.01 . 1 . . . . 85 ALA HA . 26947 1 799 . 1 1 93 93 ALA HB1 H 1 1.1650 0.01 . 1 . . . . 85 ALA HB1 . 26947 1 800 . 1 1 93 93 ALA HB2 H 1 1.1650 0.01 . 1 . . . . 85 ALA HB1 . 26947 1 801 . 1 1 93 93 ALA HB3 H 1 1.1650 0.01 . 1 . . . . 85 ALA HB1 . 26947 1 802 . 1 1 93 93 ALA C C 13 173.0550 0.1 . 1 . . . . 85 ALA C . 26947 1 803 . 1 1 93 93 ALA CA C 13 50.5510 0.1 . 1 . . . . 85 ALA CA . 26947 1 804 . 1 1 93 93 ALA CB C 13 23.9750 0.1 . 1 . . . . 85 ALA CB . 26947 1 805 . 1 1 93 93 ALA N N 15 129.0590 0.1 . 1 . . . . 85 ALA N . 26947 1 806 . 1 1 94 94 GLU H H 1 9.0230 0.01 . 1 . . . . 86 GLU HN . 26947 1 807 . 1 1 94 94 GLU HA H 1 5.3320 0.01 . 1 . . . . 86 GLU HA . 26947 1 808 . 1 1 94 94 GLU HB2 H 1 1.9490 0.01 . 2 . . . . 86 GLU HB1 . 26947 1 809 . 1 1 94 94 GLU HB3 H 1 1.9490 0.01 . 2 . . . . 86 GLU HB2 . 26947 1 810 . 1 1 94 94 GLU HG2 H 1 2.0700 0.01 . 2 . . . . 86 GLU HG1 . 26947 1 811 . 1 1 94 94 GLU HG3 H 1 2.0700 0.01 . 2 . . . . 86 GLU HG2 . 26947 1 812 . 1 1 94 94 GLU C C 13 175.0970 0.1 . 1 . . . . 86 GLU C . 26947 1 813 . 1 1 94 94 GLU CA C 13 54.2860 0.1 . 1 . . . . 86 GLU CA . 26947 1 814 . 1 1 94 94 GLU CB C 13 33.2770 0.1 . 1 . . . . 86 GLU CB . 26947 1 815 . 1 1 94 94 GLU CG C 13 38.2130 0.1 . 1 . . . . 86 GLU CG . 26947 1 816 . 1 1 94 94 GLU N N 15 121.3560 0.1 . 1 . . . . 86 GLU N . 26947 1 817 . 1 1 95 95 PHE H H 1 10.0840 0.01 . 1 . . . . 87 PHE HN . 26947 1 818 . 1 1 95 95 PHE HA H 1 5.5950 0.01 . 1 . . . . 87 PHE HA . 26947 1 819 . 1 1 95 95 PHE HB2 H 1 2.6930 0.01 . 2 . . . . 87 PHE HB1 . 26947 1 820 . 1 1 95 95 PHE HB3 H 1 3.1240 0.01 . 2 . . . . 87 PHE HB2 . 26947 1 821 . 1 1 95 95 PHE C C 13 174.8350 0.1 . 1 . . . . 87 PHE C . 26947 1 822 . 1 1 95 95 PHE CA C 13 55.8890 0.1 . 1 . . . . 87 PHE CA . 26947 1 823 . 1 1 95 95 PHE CB C 13 41.6300 0.1 . 1 . . . . 87 PHE CB . 26947 1 824 . 1 1 95 95 PHE N N 15 125.0580 0.1 . 1 . . . . 87 PHE N . 26947 1 825 . 1 1 96 96 TRP H H 1 9.3720 0.01 . 1 . . . . 88 TRP HN . 26947 1 826 . 1 1 96 96 TRP HA H 1 4.9450 0.01 . 1 . . . . 88 TRP HA . 26947 1 827 . 1 1 96 96 TRP HB2 H 1 3.2400 0.01 . 2 . . . . 88 TRP HB1 . 26947 1 828 . 1 1 96 96 TRP HB3 H 1 3.3400 0.01 . 2 . . . . 88 TRP HB2 . 26947 1 829 . 1 1 96 96 TRP HE1 H 1 9.9330 0.01 . 1 . . . . 88 TRP HE1 . 26947 1 830 . 1 1 96 96 TRP C C 13 176.1270 0.1 . 1 . . . . 88 TRP C . 26947 1 831 . 1 1 96 96 TRP CA C 13 58.1340 0.1 . 1 . . . . 88 TRP CA . 26947 1 832 . 1 1 96 96 TRP CB C 13 30.4460 0.1 . 1 . . . . 88 TRP CB . 26947 1 833 . 1 1 96 96 TRP N N 15 127.3230 0.1 . 1 . . . . 88 TRP N . 26947 1 834 . 1 1 96 96 TRP NE1 N 15 130.5990 0.1 . 1 . . . . 88 TRP NE1 . 26947 1 835 . 1 1 97 97 CYS H H 1 8.5190 0.01 . 1 . . . . 89 CYS HN . 26947 1 836 . 1 1 97 97 CYS HA H 1 5.2710 0.01 . 1 . . . . 89 CYS HA . 26947 1 837 . 1 1 97 97 CYS HB2 H 1 2.6000 0.01 . 2 . . . . 89 CYS HB1 . 26947 1 838 . 1 1 97 97 CYS HB3 H 1 2.6910 0.01 . 2 . . . . 89 CYS HB2 . 26947 1 839 . 1 1 97 97 CYS C C 13 171.6960 0.1 . 1 . . . . 89 CYS C . 26947 1 840 . 1 1 97 97 CYS CA C 13 57.2190 0.1 . 1 . . . . 89 CYS CA . 26947 1 841 . 1 1 97 97 CYS CB C 13 31.6710 0.1 . 1 . . . . 89 CYS CB . 26947 1 842 . 1 1 97 97 CYS N N 15 124.2490 0.1 . 1 . . . . 89 CYS N . 26947 1 843 . 1 1 98 98 ASP H H 1 8.4320 0.01 . 1 . . . . 90 ASP HN . 26947 1 844 . 1 1 98 98 ASP HA H 1 4.0130 0.01 . 1 . . . . 90 ASP HA . 26947 1 845 . 1 1 98 98 ASP HB2 H 1 2.5600 0.01 . 2 . . . . 90 ASP HB1 . 26947 1 846 . 1 1 98 98 ASP HB3 H 1 2.8450 0.01 . 2 . . . . 90 ASP HB2 . 26947 1 847 . 1 1 98 98 ASP C C 13 176.2080 0.1 . 1 . . . . 90 ASP C . 26947 1 848 . 1 1 98 98 ASP CA C 13 53.2030 0.1 . 1 . . . . 90 ASP CA . 26947 1 849 . 1 1 98 98 ASP CB C 13 43.7240 0.1 . 1 . . . . 90 ASP CB . 26947 1 850 . 1 1 98 98 ASP N N 15 119.0850 0.1 . 1 . . . . 90 ASP N . 26947 1 851 . 1 1 99 99 THR H H 1 8.5980 0.01 . 1 . . . . 91 THR HN . 26947 1 852 . 1 1 99 99 THR HA H 1 3.8590 0.01 . 1 . . . . 91 THR HA . 26947 1 853 . 1 1 99 99 THR HB H 1 3.8600 0.01 . 1 . . . . 91 THR HB . 26947 1 854 . 1 1 99 99 THR HG21 H 1 0.9900 0.01 . 1 . . . . 91 THR HG21 . 26947 1 855 . 1 1 99 99 THR HG22 H 1 0.9900 0.01 . 1 . . . . 91 THR HG21 . 26947 1 856 . 1 1 99 99 THR HG23 H 1 0.9900 0.01 . 1 . . . . 91 THR HG21 . 26947 1 857 . 1 1 99 99 THR C C 13 175.8260 0.1 . 1 . . . . 91 THR C . 26947 1 858 . 1 1 99 99 THR CA C 13 64.6240 0.1 . 1 . . . . 91 THR CA . 26947 1 859 . 1 1 99 99 THR CB C 13 68.4940 0.1 . 1 . . . . 91 THR CB . 26947 1 860 . 1 1 99 99 THR CG2 C 13 22.6560 0.1 . 1 . . . . 91 THR CG2 . 26947 1 861 . 1 1 99 99 THR N N 15 115.5390 0.1 . 1 . . . . 91 THR N . 26947 1 862 . 1 1 100 100 ILE H H 1 7.4630 0.01 . 1 . . . . 92 ILE HN . 26947 1 863 . 1 1 100 100 ILE HA H 1 3.9440 0.01 . 1 . . . . 92 ILE HA . 26947 1 864 . 1 1 100 100 ILE HB H 1 1.6440 0.01 . 1 . . . . 92 ILE HB . 26947 1 865 . 1 1 100 100 ILE HG12 H 1 1.6270 0.01 . 2 . . . . 92 ILE HG11 . 26947 1 866 . 1 1 100 100 ILE HG13 H 1 1.6270 0.01 . 2 . . . . 92 ILE HG12 . 26947 1 867 . 1 1 100 100 ILE HG21 H 1 0.4960 0.01 . 1 . . . . 92 ILE HG21 . 26947 1 868 . 1 1 100 100 ILE HG22 H 1 0.4960 0.01 . 1 . . . . 92 ILE HG21 . 26947 1 869 . 1 1 100 100 ILE HG23 H 1 0.4960 0.01 . 1 . . . . 92 ILE HG21 . 26947 1 870 . 1 1 100 100 ILE HD11 H 1 0.6720 0.01 . 1 . . . . 92 ILE HD11 . 26947 1 871 . 1 1 100 100 ILE HD12 H 1 0.6720 0.01 . 1 . . . . 92 ILE HD11 . 26947 1 872 . 1 1 100 100 ILE HD13 H 1 0.6720 0.01 . 1 . . . . 92 ILE HD11 . 26947 1 873 . 1 1 100 100 ILE C C 13 176.3090 0.1 . 1 . . . . 92 ILE C . 26947 1 874 . 1 1 100 100 ILE CA C 13 63.6400 0.1 . 1 . . . . 92 ILE CA . 26947 1 875 . 1 1 100 100 ILE CB C 13 37.6120 0.1 . 1 . . . . 92 ILE CB . 26947 1 876 . 1 1 100 100 ILE CG2 C 13 16.5700 0.1 . 1 . . . . 92 ILE CG2 . 26947 1 877 . 1 1 100 100 ILE CD1 C 13 13.7240 0.1 . 1 . . . . 92 ILE CD1 . 26947 1 878 . 1 1 100 100 ILE N N 15 116.1600 0.1 . 1 . . . . 92 ILE N . 26947 1 879 . 1 1 101 101 HIS H H 1 7.8830 0.01 . 1 . . . . 93 HIS HN . 26947 1 880 . 1 1 101 101 HIS HA H 1 5.1000 0.01 . 1 . . . . 93 HIS HA . 26947 1 881 . 1 1 101 101 HIS HB2 H 1 2.8530 0.01 . 2 . . . . 93 HIS HB1 . 26947 1 882 . 1 1 101 101 HIS HB3 H 1 3.0930 0.01 . 2 . . . . 93 HIS HB2 . 26947 1 883 . 1 1 101 101 HIS C C 13 177.8620 0.1 . 1 . . . . 93 HIS C . 26947 1 884 . 1 1 101 101 HIS CA C 13 56.5270 0.1 . 1 . . . . 93 HIS CA . 26947 1 885 . 1 1 101 101 HIS CB C 13 33.8560 0.1 . 1 . . . . 93 HIS CB . 26947 1 886 . 1 1 101 101 HIS N N 15 117.1370 0.1 . 1 . . . . 93 HIS N . 26947 1 887 . 1 1 102 102 THR H H 1 7.7510 0.01 . 1 . . . . 94 THR HN . 26947 1 888 . 1 1 102 102 THR HA H 1 4.1990 0.01 . 1 . . . . 94 THR HA . 26947 1 889 . 1 1 102 102 THR HB H 1 4.6560 0.01 . 1 . . . . 94 THR HB . 26947 1 890 . 1 1 102 102 THR HG21 H 1 1.2180 0.01 . 1 . . . . 94 THR HG21 . 26947 1 891 . 1 1 102 102 THR HG22 H 1 1.2180 0.01 . 1 . . . . 94 THR HG21 . 26947 1 892 . 1 1 102 102 THR HG23 H 1 1.2180 0.01 . 1 . . . . 94 THR HG21 . 26947 1 893 . 1 1 102 102 THR C C 13 177.3080 0.1 . 1 . . . . 94 THR C . 26947 1 894 . 1 1 102 102 THR CA C 13 63.3350 0.1 . 1 . . . . 94 THR CA . 26947 1 895 . 1 1 102 102 THR CB C 13 69.3510 0.1 . 1 . . . . 94 THR CB . 26947 1 896 . 1 1 102 102 THR CG2 C 13 23.3130 0.1 . 1 . . . . 94 THR CG2 . 26947 1 897 . 1 1 102 102 THR N N 15 105.8560 0.1 . 1 . . . . 94 THR N . 26947 1 898 . 1 1 103 103 GLY H H 1 8.4650 0.01 . 1 . . . . 95 GLY HN . 26947 1 899 . 1 1 103 103 GLY C C 13 175.2750 0.1 . 1 . . . . 95 GLY C . 26947 1 900 . 1 1 103 103 GLY CA C 13 47.5230 0.1 . 1 . . . . 95 GLY CA . 26947 1 901 . 1 1 103 103 GLY N N 15 113.3760 0.1 . 1 . . . . 95 GLY N . 26947 1 902 . 1 1 104 104 VAL HA H 1 4.3730 0.01 . 1 . . . . 96 VAL HA . 26947 1 903 . 1 1 104 104 VAL HB H 1 2.3850 0.01 . 1 . . . . 96 VAL HB . 26947 1 904 . 1 1 104 104 VAL HG11 H 1 1.0810 0.01 . 2 . . . . 96 VAL HG11 . 26947 1 905 . 1 1 104 104 VAL HG12 H 1 1.0810 0.01 . 2 . . . . 96 VAL HG11 . 26947 1 906 . 1 1 104 104 VAL HG13 H 1 1.0810 0.01 . 2 . . . . 96 VAL HG11 . 26947 1 907 . 1 1 104 104 VAL HG21 H 1 1.0810 0.01 . 2 . . . . 96 VAL HG21 . 26947 1 908 . 1 1 104 104 VAL HG22 H 1 1.0810 0.01 . 2 . . . . 96 VAL HG21 . 26947 1 909 . 1 1 104 104 VAL HG23 H 1 1.0810 0.01 . 2 . . . . 96 VAL HG21 . 26947 1 910 . 1 1 104 104 VAL C C 13 176.6240 0.1 . 1 . . . . 96 VAL C . 26947 1 911 . 1 1 104 104 VAL CA C 13 61.3750 0.1 . 1 . . . . 96 VAL CA . 26947 1 912 . 1 1 104 104 VAL CB C 13 32.7480 0.1 . 1 . . . . 96 VAL CB . 26947 1 913 . 1 1 104 104 VAL CG1 C 13 20.2680 0.1 . 2 . . . . 96 VAL CG1 . 26947 1 914 . 1 1 104 104 VAL CG2 C 13 20.2670 0.1 . 2 . . . . 96 VAL CG2 . 26947 1 915 . 1 1 105 105 TYR H H 1 8.2400 0.01 . 1 . . . . 97 TYR HN . 26947 1 916 . 1 1 105 105 TYR HA H 1 4.3400 0.01 . 1 . . . . 97 TYR HA . 26947 1 917 . 1 1 105 105 TYR C C 13 172.5450 0.1 . 1 . . . . 97 TYR C . 26947 1 918 . 1 1 105 105 TYR CA C 13 64.7530 0.1 . 1 . . . . 97 TYR CA . 26947 1 919 . 1 1 105 105 TYR CB C 13 37.2620 0.1 . 1 . . . . 97 TYR CB . 26947 1 920 . 1 1 105 105 TYR N N 15 122.5050 0.1 . 1 . . . . 97 TYR N . 26947 1 921 . 1 1 106 106 PRO HA H 1 4.0450 0.01 . 1 . . . . 98 PRO HA . 26947 1 922 . 1 1 106 106 PRO HB2 H 1 1.8880 0.01 . 2 . . . . 98 PRO HB1 . 26947 1 923 . 1 1 106 106 PRO HB3 H 1 2.3710 0.01 . 2 . . . . 98 PRO HB2 . 26947 1 924 . 1 1 106 106 PRO C C 13 177.3130 0.1 . 1 . . . . 98 PRO C . 26947 1 925 . 1 1 106 106 PRO CA C 13 66.6580 0.1 . 1 . . . . 98 PRO CA . 26947 1 926 . 1 1 106 106 PRO CB C 13 31.1570 0.1 . 1 . . . . 98 PRO CB . 26947 1 927 . 1 1 107 107 ILE H H 1 7.0180 0.01 . 1 . . . . 99 ILE HN . 26947 1 928 . 1 1 107 107 ILE HA H 1 3.6240 0.01 . 1 . . . . 99 ILE HA . 26947 1 929 . 1 1 107 107 ILE HB H 1 1.9810 0.01 . 1 . . . . 99 ILE HB . 26947 1 930 . 1 1 107 107 ILE HG12 H 1 1.1910 0.01 . 2 . . . . 99 ILE HG11 . 26947 1 931 . 1 1 107 107 ILE HG13 H 1 1.5240 0.01 . 2 . . . . 99 ILE HG12 . 26947 1 932 . 1 1 107 107 ILE HG21 H 1 0.8620 0.01 . 1 . . . . 99 ILE HG21 . 26947 1 933 . 1 1 107 107 ILE HG22 H 1 0.8620 0.01 . 1 . . . . 99 ILE HG21 . 26947 1 934 . 1 1 107 107 ILE HG23 H 1 0.8620 0.01 . 1 . . . . 99 ILE HG21 . 26947 1 935 . 1 1 107 107 ILE HD11 H 1 0.8620 0.01 . 1 . . . . 99 ILE HD11 . 26947 1 936 . 1 1 107 107 ILE HD12 H 1 0.8620 0.01 . 1 . . . . 99 ILE HD11 . 26947 1 937 . 1 1 107 107 ILE HD13 H 1 0.8620 0.01 . 1 . . . . 99 ILE HD11 . 26947 1 938 . 1 1 107 107 ILE C C 13 178.4920 0.1 . 1 . . . . 99 ILE C . 26947 1 939 . 1 1 107 107 ILE CA C 13 64.3640 0.1 . 1 . . . . 99 ILE CA . 26947 1 940 . 1 1 107 107 ILE CB C 13 37.8620 0.1 . 1 . . . . 99 ILE CB . 26947 1 941 . 1 1 107 107 ILE CG1 C 13 28.9070 0.1 . 1 . . . . 99 ILE CG1 . 26947 1 942 . 1 1 107 107 ILE CG2 C 13 17.5400 0.1 . 1 . . . . 99 ILE CG2 . 26947 1 943 . 1 1 107 107 ILE CD1 C 13 13.0700 0.1 . 1 . . . . 99 ILE CD1 . 26947 1 944 . 1 1 107 107 ILE N N 15 115.4400 0.1 . 1 . . . . 99 ILE N . 26947 1 945 . 1 1 108 108 LEU H H 1 7.1720 0.01 . 1 . . . . 100 LEU HN . 26947 1 946 . 1 1 108 108 LEU HA H 1 3.7900 0.01 . 1 . . . . 100 LEU HA . 26947 1 947 . 1 1 108 108 LEU HB2 H 1 1.3170 0.01 . 2 . . . . 100 LEU HB1 . 26947 1 948 . 1 1 108 108 LEU HB3 H 1 1.0290 0.01 . 2 . . . . 100 LEU HB2 . 26947 1 949 . 1 1 108 108 LEU HG H 1 1.4010 0.01 . 1 . . . . 100 LEU HG . 26947 1 950 . 1 1 108 108 LEU HD11 H 1 0.3030 0.01 . 2 . . . . 100 LEU HD11 . 26947 1 951 . 1 1 108 108 LEU HD12 H 1 0.3030 0.01 . 2 . . . . 100 LEU HD11 . 26947 1 952 . 1 1 108 108 LEU HD13 H 1 0.3030 0.01 . 2 . . . . 100 LEU HD11 . 26947 1 953 . 1 1 108 108 LEU HD21 H 1 0.3770 0.01 . 2 . . . . 100 LEU HD21 . 26947 1 954 . 1 1 108 108 LEU HD22 H 1 0.3770 0.01 . 2 . . . . 100 LEU HD21 . 26947 1 955 . 1 1 108 108 LEU HD23 H 1 0.3770 0.01 . 2 . . . . 100 LEU HD21 . 26947 1 956 . 1 1 108 108 LEU C C 13 178.6480 0.1 . 1 . . . . 100 LEU C . 26947 1 957 . 1 1 108 108 LEU CA C 13 57.3440 0.1 . 1 . . . . 100 LEU CA . 26947 1 958 . 1 1 108 108 LEU CB C 13 41.1940 0.1 . 1 . . . . 100 LEU CB . 26947 1 959 . 1 1 108 108 LEU CG C 13 26.3400 0.1 . 1 . . . . 100 LEU CG . 26947 1 960 . 1 1 108 108 LEU CD1 C 13 22.2460 0.1 . 2 . . . . 100 LEU CD1 . 26947 1 961 . 1 1 108 108 LEU CD2 C 13 25.0530 0.1 . 2 . . . . 100 LEU CD2 . 26947 1 962 . 1 1 108 108 LEU N N 15 120.9770 0.1 . 1 . . . . 100 LEU N . 26947 1 963 . 1 1 110 110 ARG HA H 1 3.5880 0.01 . 1 . . . . 102 ARG HA . 26947 1 964 . 1 1 110 110 ARG HB2 H 1 1.8120 0.01 . 2 . . . . 102 ARG HB1 . 26947 1 965 . 1 1 110 110 ARG HB3 H 1 1.8120 0.01 . 2 . . . . 102 ARG HB2 . 26947 1 966 . 1 1 110 110 ARG C C 13 178.3040 0.1 . 1 . . . . 102 ARG C . 26947 1 967 . 1 1 110 110 ARG CA C 13 60.4430 0.1 . 1 . . . . 102 ARG CA . 26947 1 968 . 1 1 110 110 ARG CB C 13 29.9680 0.1 . 1 . . . . 102 ARG CB . 26947 1 969 . 1 1 110 110 ARG CD C 13 43.3820 0.1 . 1 . . . . 102 ARG CD . 26947 1 970 . 1 1 111 111 SER H H 1 7.2370 0.01 . 1 . . . . 103 SER HN . 26947 1 971 . 1 1 111 111 SER HA H 1 3.9100 0.01 . 1 . . . . 103 SER HA . 26947 1 972 . 1 1 111 111 SER HB2 H 1 4.1600 0.01 . 2 . . . . 103 SER HB1 . 26947 1 973 . 1 1 111 111 SER HB3 H 1 4.1600 0.01 . 2 . . . . 103 SER HB2 . 26947 1 974 . 1 1 111 111 SER C C 13 176.7060 0.1 . 1 . . . . 103 SER C . 26947 1 975 . 1 1 111 111 SER CA C 13 61.3780 0.1 . 1 . . . . 103 SER CA . 26947 1 976 . 1 1 111 111 SER CB C 13 63.0760 0.1 . 1 . . . . 103 SER CB . 26947 1 977 . 1 1 111 111 SER N N 15 112.6830 0.1 . 1 . . . . 103 SER N . 26947 1 978 . 1 1 112 112 LEU H H 1 7.9910 0.01 . 1 . . . . 104 LEU HN . 26947 1 979 . 1 1 112 112 LEU HA H 1 4.1150 0.01 . 1 . . . . 104 LEU HA . 26947 1 980 . 1 1 112 112 LEU HB2 H 1 1.7800 0.01 . 2 . . . . 104 LEU HB1 . 26947 1 981 . 1 1 112 112 LEU HB3 H 1 1.8600 0.01 . 2 . . . . 104 LEU HB2 . 26947 1 982 . 1 1 112 112 LEU C C 13 179.5970 0.1 . 1 . . . . 104 LEU C . 26947 1 983 . 1 1 112 112 LEU CA C 13 58.0990 0.1 . 1 . . . . 104 LEU CA . 26947 1 984 . 1 1 112 112 LEU CB C 13 41.6640 0.1 . 1 . . . . 104 LEU CB . 26947 1 985 . 1 1 112 112 LEU N N 15 122.6370 0.1 . 1 . . . . 104 LEU N . 26947 1 986 . 1 1 113 113 ARG H H 1 8.8580 0.01 . 1 . . . . 105 ARG HN . 26947 1 987 . 1 1 113 113 ARG HA H 1 3.9700 0.01 . 1 . . . . 105 ARG HA . 26947 1 988 . 1 1 113 113 ARG HB2 H 1 1.6650 0.01 . 2 . . . . 105 ARG HB1 . 26947 1 989 . 1 1 113 113 ARG HB3 H 1 1.8060 0.01 . 2 . . . . 105 ARG HB2 . 26947 1 990 . 1 1 113 113 ARG C C 13 179.1780 0.1 . 1 . . . . 105 ARG C . 26947 1 991 . 1 1 113 113 ARG CA C 13 59.7800 0.1 . 1 . . . . 105 ARG CA . 26947 1 992 . 1 1 113 113 ARG CB C 13 30.6110 0.1 . 1 . . . . 105 ARG CB . 26947 1 993 . 1 1 113 113 ARG CG C 13 27.7960 0.1 . 1 . . . . 105 ARG CG . 26947 1 994 . 1 1 113 113 ARG CD C 13 43.5320 0.1 . 1 . . . . 105 ARG CD . 26947 1 995 . 1 1 113 113 ARG N N 15 119.5610 0.1 . 1 . . . . 105 ARG N . 26947 1 996 . 1 1 114 114 GLN H H 1 7.9800 0.01 . 1 . . . . 106 GLN HN . 26947 1 997 . 1 1 114 114 GLN HA H 1 4.1240 0.01 . 1 . . . . 106 GLN HA . 26947 1 998 . 1 1 114 114 GLN HB2 H 1 2.1700 0.01 . 2 . . . . 106 GLN HB1 . 26947 1 999 . 1 1 114 114 GLN HB3 H 1 2.1690 0.01 . 2 . . . . 106 GLN HB2 . 26947 1 1000 . 1 1 114 114 GLN C C 13 178.2130 0.1 . 1 . . . . 106 GLN C . 26947 1 1001 . 1 1 114 114 GLN CA C 13 58.1860 0.1 . 1 . . . . 106 GLN CA . 26947 1 1002 . 1 1 114 114 GLN CB C 13 28.6490 0.1 . 1 . . . . 106 GLN CB . 26947 1 1003 . 1 1 114 114 GLN CG C 13 34.6080 0.1 . 1 . . . . 106 GLN CG . 26947 1 1004 . 1 1 114 114 GLN N N 15 117.3850 0.1 . 1 . . . . 106 GLN N . 26947 1 1005 . 1 1 115 115 MET H H 1 7.7760 0.01 . 1 . . . . 107 MET HN . 26947 1 1006 . 1 1 115 115 MET HA H 1 4.2180 0.01 . 1 . . . . 107 MET HA . 26947 1 1007 . 1 1 115 115 MET HB2 H 1 2.1990 0.01 . 2 . . . . 107 MET HB1 . 26947 1 1008 . 1 1 115 115 MET HB3 H 1 2.1990 0.01 . 2 . . . . 107 MET HB2 . 26947 1 1009 . 1 1 115 115 MET HG2 H 1 2.5670 0.01 . 2 . . . . 107 MET HG1 . 26947 1 1010 . 1 1 115 115 MET HG3 H 1 2.7400 0.01 . 2 . . . . 107 MET HG2 . 26947 1 1011 . 1 1 115 115 MET HE1 H 1 2.0430 0.01 . 1 . . . . 107 MET HE1 . 26947 1 1012 . 1 1 115 115 MET HE2 H 1 2.0430 0.01 . 1 . . . . 107 MET HE1 . 26947 1 1013 . 1 1 115 115 MET HE3 H 1 2.0430 0.01 . 1 . . . . 107 MET HE1 . 26947 1 1014 . 1 1 115 115 MET C C 13 177.4730 0.1 . 1 . . . . 107 MET C . 26947 1 1015 . 1 1 115 115 MET CA C 13 57.7610 0.1 . 1 . . . . 107 MET CA . 26947 1 1016 . 1 1 115 115 MET CB C 13 32.9550 0.1 . 1 . . . . 107 MET CB . 26947 1 1017 . 1 1 115 115 MET CG C 13 32.1090 0.1 . 1 . . . . 107 MET CG . 26947 1 1018 . 1 1 115 115 MET CE C 13 16.8570 0.1 . 1 . . . . 107 MET CE . 26947 1 1019 . 1 1 115 115 MET N N 15 118.1120 0.1 . 1 . . . . 107 MET N . 26947 1 1020 . 1 1 116 116 ALA H H 1 7.7900 0.01 . 1 . . . . 108 ALA HN . 26947 1 1021 . 1 1 116 116 ALA HA H 1 4.2750 0.01 . 1 . . . . 108 ALA HA . 26947 1 1022 . 1 1 116 116 ALA HB1 H 1 1.4880 0.01 . 1 . . . . 108 ALA HB1 . 26947 1 1023 . 1 1 116 116 ALA HB2 H 1 1.4880 0.01 . 1 . . . . 108 ALA HB1 . 26947 1 1024 . 1 1 116 116 ALA HB3 H 1 1.4880 0.01 . 1 . . . . 108 ALA HB1 . 26947 1 1025 . 1 1 116 116 ALA C C 13 178.2590 0.1 . 1 . . . . 108 ALA C . 26947 1 1026 . 1 1 116 116 ALA CA C 13 53.4790 0.1 . 1 . . . . 108 ALA CA . 26947 1 1027 . 1 1 116 116 ALA CB C 13 19.2810 0.1 . 1 . . . . 108 ALA CB . 26947 1 1028 . 1 1 116 116 ALA N N 15 121.3890 0.1 . 1 . . . . 108 ALA N . 26947 1 1029 . 1 1 117 117 GLN H H 1 8.1220 0.01 . 1 . . . . 109 GLN HN . 26947 1 1030 . 1 1 117 117 GLN HA H 1 4.3360 0.01 . 1 . . . . 109 GLN HA . 26947 1 1031 . 1 1 117 117 GLN HB2 H 1 2.1460 0.01 . 2 . . . . 109 GLN HB1 . 26947 1 1032 . 1 1 117 117 GLN HB3 H 1 2.1460 0.01 . 2 . . . . 109 GLN HB2 . 26947 1 1033 . 1 1 117 117 GLN C C 13 176.9760 0.1 . 1 . . . . 109 GLN C . 26947 1 1034 . 1 1 117 117 GLN CA C 13 56.2600 0.1 . 1 . . . . 109 GLN CA . 26947 1 1035 . 1 1 117 117 GLN CB C 13 29.2150 0.1 . 1 . . . . 109 GLN CB . 26947 1 1036 . 1 1 117 117 GLN CG C 13 33.9910 0.1 . 1 . . . . 109 GLN CG . 26947 1 1037 . 1 1 117 117 GLN N N 15 117.0320 0.1 . 1 . . . . 109 GLN N . 26947 1 1038 . 1 1 118 118 GLY H H 1 8.2630 0.01 . 1 . . . . 110 GLY HN . 26947 1 1039 . 1 1 118 118 GLY CA C 13 45.8510 0.1 . 1 . . . . 110 GLY CA . 26947 1 1040 . 1 1 118 118 GLY N N 15 109.3510 0.1 . 1 . . . . 110 GLY N . 26947 1 1041 . 1 1 124 124 GLY H H 1 8.0320 0.01 . 1 . . . . 133 GLY HN . 26947 1 1042 . 1 1 124 124 GLY HA2 H 1 3.8260 0.01 . 2 . . . . 133 GLY HA1 . 26947 1 1043 . 1 1 124 124 GLY HA3 H 1 3.8260 0.01 . 2 . . . . 133 GLY HA2 . 26947 1 1044 . 1 1 124 124 GLY C C 13 173.5940 0.1 . 1 . . . . 133 GLY C . 26947 1 1045 . 1 1 124 124 GLY CA C 13 44.8850 0.1 . 1 . . . . 133 GLY CA . 26947 1 1046 . 1 1 124 124 GLY N N 15 108.1730 0.1 . 1 . . . . 133 GLY N . 26947 1 1047 . 1 1 125 125 TYR H H 1 8.4290 0.01 . 1 . . . . 134 TYR HN . 26947 1 1048 . 1 1 125 125 TYR HA H 1 4.8060 0.01 . 1 . . . . 134 TYR HA . 26947 1 1049 . 1 1 125 125 TYR HB2 H 1 2.8480 0.01 . 2 . . . . 134 TYR HB1 . 26947 1 1050 . 1 1 125 125 TYR HB3 H 1 3.1720 0.01 . 2 . . . . 134 TYR HB2 . 26947 1 1051 . 1 1 125 125 TYR C C 13 175.8430 0.1 . 1 . . . . 134 TYR C . 26947 1 1052 . 1 1 125 125 TYR CA C 13 56.2310 0.1 . 1 . . . . 134 TYR CA . 26947 1 1053 . 1 1 125 125 TYR CB C 13 38.9500 0.1 . 1 . . . . 134 TYR CB . 26947 1 1054 . 1 1 125 125 TYR N N 15 119.0040 0.1 . 1 . . . . 134 TYR N . 26947 1 1055 . 1 1 126 126 GLU H H 1 9.0730 0.01 . 1 . . . . 135 GLU HN . 26947 1 1056 . 1 1 126 126 GLU HA H 1 4.0880 0.01 . 1 . . . . 135 GLU HA . 26947 1 1057 . 1 1 126 126 GLU HB2 H 1 2.0670 0.01 . 2 . . . . 135 GLU HB1 . 26947 1 1058 . 1 1 126 126 GLU HB3 H 1 2.0670 0.01 . 2 . . . . 135 GLU HB2 . 26947 1 1059 . 1 1 126 126 GLU C C 13 178.1120 0.1 . 1 . . . . 135 GLU C . 26947 1 1060 . 1 1 126 126 GLU CA C 13 60.1180 0.1 . 1 . . . . 135 GLU CA . 26947 1 1061 . 1 1 126 126 GLU CB C 13 29.4260 0.1 . 1 . . . . 135 GLU CB . 26947 1 1062 . 1 1 126 126 GLU CG C 13 36.7710 0.1 . 1 . . . . 135 GLU CG . 26947 1 1063 . 1 1 126 126 GLU N N 15 124.0110 0.1 . 1 . . . . 135 GLU N . 26947 1 1064 . 1 1 127 127 ASP H H 1 8.8550 0.01 . 1 . . . . 136 ASP HN . 26947 1 1065 . 1 1 127 127 ASP HA H 1 4.3310 0.01 . 1 . . . . 136 ASP HA . 26947 1 1066 . 1 1 127 127 ASP HB2 H 1 2.5720 0.01 . 2 . . . . 136 ASP HB1 . 26947 1 1067 . 1 1 127 127 ASP HB3 H 1 2.8790 0.01 . 2 . . . . 136 ASP HB2 . 26947 1 1068 . 1 1 127 127 ASP C C 13 179.0280 0.1 . 1 . . . . 136 ASP C . 26947 1 1069 . 1 1 127 127 ASP CA C 13 56.1260 0.1 . 1 . . . . 136 ASP CA . 26947 1 1070 . 1 1 127 127 ASP CB C 13 38.2630 0.1 . 1 . . . . 136 ASP CB . 26947 1 1071 . 1 1 127 127 ASP N N 15 117.7070 0.1 . 1 . . . . 136 ASP N . 26947 1 1072 . 1 1 128 128 LEU H H 1 7.8060 0.01 . 1 . . . . 137 LEU HN . 26947 1 1073 . 1 1 128 128 LEU HA H 1 4.1730 0.01 . 1 . . . . 137 LEU HA . 26947 1 1074 . 1 1 128 128 LEU HB2 H 1 1.3880 0.01 . 2 . . . . 137 LEU HB1 . 26947 1 1075 . 1 1 128 128 LEU HB3 H 1 2.1050 0.01 . 2 . . . . 137 LEU HB2 . 26947 1 1076 . 1 1 128 128 LEU HD11 H 1 0.8320 0.01 . 2 . . . . 137 LEU HD11 . 26947 1 1077 . 1 1 128 128 LEU HD12 H 1 0.8320 0.01 . 2 . . . . 137 LEU HD11 . 26947 1 1078 . 1 1 128 128 LEU HD13 H 1 0.8320 0.01 . 2 . . . . 137 LEU HD11 . 26947 1 1079 . 1 1 128 128 LEU HD21 H 1 0.9500 0.01 . 2 . . . . 137 LEU HD21 . 26947 1 1080 . 1 1 128 128 LEU HD22 H 1 0.9500 0.01 . 2 . . . . 137 LEU HD21 . 26947 1 1081 . 1 1 128 128 LEU HD23 H 1 0.9500 0.01 . 2 . . . . 137 LEU HD21 . 26947 1 1082 . 1 1 128 128 LEU C C 13 178.8630 0.1 . 1 . . . . 137 LEU C . 26947 1 1083 . 1 1 128 128 LEU CA C 13 56.8210 0.1 . 1 . . . . 137 LEU CA . 26947 1 1084 . 1 1 128 128 LEU CB C 13 41.4800 0.1 . 1 . . . . 137 LEU CB . 26947 1 1085 . 1 1 128 128 LEU CG C 13 27.0810 0.1 . 1 . . . . 137 LEU CG . 26947 1 1086 . 1 1 128 128 LEU CD1 C 13 20.8250 0.1 . 2 . . . . 137 LEU CD1 . 26947 1 1087 . 1 1 128 128 LEU CD2 C 13 24.2960 0.1 . 2 . . . . 137 LEU CD2 . 26947 1 1088 . 1 1 128 128 LEU N N 15 122.3080 0.1 . 1 . . . . 137 LEU N . 26947 1 1089 . 1 1 129 129 ASP H H 1 8.2970 0.01 . 1 . . . . 138 ASP HN . 26947 1 1090 . 1 1 129 129 ASP HA H 1 4.3150 0.01 . 1 . . . . 138 ASP HA . 26947 1 1091 . 1 1 129 129 ASP HB2 H 1 2.6220 0.01 . 2 . . . . 138 ASP HB1 . 26947 1 1092 . 1 1 129 129 ASP HB3 H 1 2.8330 0.01 . 2 . . . . 138 ASP HB2 . 26947 1 1093 . 1 1 129 129 ASP C C 13 179.2070 0.1 . 1 . . . . 138 ASP C . 26947 1 1094 . 1 1 129 129 ASP CA C 13 57.4660 0.1 . 1 . . . . 138 ASP CA . 26947 1 1095 . 1 1 129 129 ASP CB C 13 39.8540 0.1 . 1 . . . . 138 ASP CB . 26947 1 1096 . 1 1 129 129 ASP N N 15 120.9430 0.1 . 1 . . . . 138 ASP N . 26947 1 1097 . 1 1 130 130 GLU H H 1 7.8640 0.01 . 1 . . . . 139 GLU HN . 26947 1 1098 . 1 1 130 130 GLU HA H 1 4.0120 0.01 . 1 . . . . 139 GLU HA . 26947 1 1099 . 1 1 130 130 GLU HB2 H 1 2.1220 0.01 . 2 . . . . 139 GLU HB1 . 26947 1 1100 . 1 1 130 130 GLU HB3 H 1 2.1220 0.01 . 2 . . . . 139 GLU HB2 . 26947 1 1101 . 1 1 130 130 GLU C C 13 178.6950 0.1 . 1 . . . . 139 GLU C . 26947 1 1102 . 1 1 130 130 GLU CA C 13 59.1840 0.1 . 1 . . . . 139 GLU CA . 26947 1 1103 . 1 1 130 130 GLU CB C 13 29.3840 0.1 . 1 . . . . 139 GLU CB . 26947 1 1104 . 1 1 130 130 GLU CG C 13 36.1220 0.1 . 1 . . . . 139 GLU CG . 26947 1 1105 . 1 1 130 130 GLU N N 15 119.5530 0.1 . 1 . . . . 139 GLU N . 26947 1 1106 . 1 1 131 131 LEU H H 1 7.4770 0.01 . 1 . . . . 140 LEU HN . 26947 1 1107 . 1 1 131 131 LEU HA H 1 4.0940 0.01 . 1 . . . . 140 LEU HA . 26947 1 1108 . 1 1 131 131 LEU HB2 H 1 1.8270 0.01 . 2 . . . . 140 LEU HB1 . 26947 1 1109 . 1 1 131 131 LEU HB3 H 1 1.8260 0.01 . 2 . . . . 140 LEU HB2 . 26947 1 1110 . 1 1 131 131 LEU HD11 H 1 0.9130 0.01 . 2 . . . . 140 LEU HD11 . 26947 1 1111 . 1 1 131 131 LEU HD12 H 1 0.9130 0.01 . 2 . . . . 140 LEU HD11 . 26947 1 1112 . 1 1 131 131 LEU HD13 H 1 0.9130 0.01 . 2 . . . . 140 LEU HD11 . 26947 1 1113 . 1 1 131 131 LEU HD21 H 1 0.9500 0.01 . 2 . . . . 140 LEU HD21 . 26947 1 1114 . 1 1 131 131 LEU HD22 H 1 0.9500 0.01 . 2 . . . . 140 LEU HD21 . 26947 1 1115 . 1 1 131 131 LEU HD23 H 1 0.9500 0.01 . 2 . . . . 140 LEU HD21 . 26947 1 1116 . 1 1 131 131 LEU C C 13 178.7160 0.1 . 1 . . . . 140 LEU C . 26947 1 1117 . 1 1 131 131 LEU CA C 13 57.1260 0.1 . 1 . . . . 140 LEU CA . 26947 1 1118 . 1 1 131 131 LEU CB C 13 41.9370 0.1 . 1 . . . . 140 LEU CB . 26947 1 1119 . 1 1 131 131 LEU CG C 13 27.1970 0.1 . 1 . . . . 140 LEU CG . 26947 1 1120 . 1 1 131 131 LEU CD1 C 13 24.1200 0.1 . 2 . . . . 140 LEU CD1 . 26947 1 1121 . 1 1 131 131 LEU CD2 C 13 24.9900 0.1 . 2 . . . . 140 LEU CD2 . 26947 1 1122 . 1 1 131 131 LEU N N 15 118.9190 0.1 . 1 . . . . 140 LEU N . 26947 1 1123 . 1 1 132 132 GLN H H 1 8.0300 0.01 . 1 . . . . 141 GLN HN . 26947 1 1124 . 1 1 132 132 GLN HA H 1 4.0380 0.01 . 1 . . . . 141 GLN HA . 26947 1 1125 . 1 1 132 132 GLN HB2 H 1 2.1730 0.01 . 2 . . . . 141 GLN HB1 . 26947 1 1126 . 1 1 132 132 GLN HB3 H 1 2.1730 0.01 . 2 . . . . 141 GLN HB2 . 26947 1 1127 . 1 1 132 132 GLN C C 13 177.3230 0.1 . 1 . . . . 141 GLN C . 26947 1 1128 . 1 1 132 132 GLN CA C 13 58.2140 0.1 . 1 . . . . 141 GLN CA . 26947 1 1129 . 1 1 132 132 GLN CB C 13 28.8450 0.1 . 1 . . . . 141 GLN CB . 26947 1 1130 . 1 1 132 132 GLN CG C 13 34.0680 0.1 . 1 . . . . 141 GLN CG . 26947 1 1131 . 1 1 132 132 GLN N N 15 116.6840 0.1 . 1 . . . . 141 GLN N . 26947 1 1132 . 1 1 133 133 LYS H H 1 7.4470 0.01 . 1 . . . . 142 LYS HN . 26947 1 1133 . 1 1 133 133 LYS HA H 1 4.1140 0.01 . 1 . . . . 142 LYS HA . 26947 1 1134 . 1 1 133 133 LYS HB2 H 1 1.9190 0.01 . 2 . . . . 142 LYS HB1 . 26947 1 1135 . 1 1 133 133 LYS HB3 H 1 1.9190 0.01 . 2 . . . . 142 LYS HB2 . 26947 1 1136 . 1 1 133 133 LYS C C 13 176.3110 0.1 . 1 . . . . 142 LYS C . 26947 1 1137 . 1 1 133 133 LYS CA C 13 58.0490 0.1 . 1 . . . . 142 LYS CA . 26947 1 1138 . 1 1 133 133 LYS CB C 13 33.3070 0.1 . 1 . . . . 142 LYS CB . 26947 1 1139 . 1 1 133 133 LYS CG C 13 25.3310 0.1 . 1 . . . . 142 LYS CG . 26947 1 1140 . 1 1 133 133 LYS CD C 13 29.4680 0.1 . 1 . . . . 142 LYS CD . 26947 1 1141 . 1 1 133 133 LYS CE C 13 42.0800 0.1 . 1 . . . . 142 LYS CE . 26947 1 1142 . 1 1 133 133 LYS N N 15 117.0090 0.1 . 1 . . . . 142 LYS N . 26947 1 1143 . 1 1 134 134 GLU H H 1 7.6720 0.01 . 1 . . . . 143 GLU HN . 26947 1 1144 . 1 1 134 134 GLU HA H 1 4.6600 0.01 . 1 . . . . 143 GLU HA . 26947 1 1145 . 1 1 134 134 GLU C C 13 170.5970 0.1 . 1 . . . . 143 GLU C . 26947 1 1146 . 1 1 134 134 GLU CA C 13 52.9790 0.1 . 1 . . . . 143 GLU CA . 26947 1 1147 . 1 1 134 134 GLU CB C 13 30.5810 0.1 . 1 . . . . 143 GLU CB . 26947 1 1148 . 1 1 134 134 GLU N N 15 119.4500 0.1 . 1 . . . . 143 GLU N . 26947 1 1149 . 1 1 135 135 PRO HA H 1 4.5300 0.01 . 1 . . . . 144 PRO HA . 26947 1 1150 . 1 1 135 135 PRO HB2 H 1 1.7250 0.01 . 2 . . . . 144 PRO HB1 . 26947 1 1151 . 1 1 135 135 PRO HB3 H 1 2.2590 0.01 . 2 . . . . 144 PRO HB2 . 26947 1 1152 . 1 1 135 135 PRO C C 13 176.9040 0.1 . 1 . . . . 144 PRO C . 26947 1 1153 . 1 1 135 135 PRO CA C 13 63.7890 0.1 . 1 . . . . 144 PRO CA . 26947 1 1154 . 1 1 135 135 PRO CB C 13 31.8300 0.1 . 1 . . . . 144 PRO CB . 26947 1 1155 . 1 1 135 135 PRO CG C 13 27.8110 0.1 . 1 . . . . 144 PRO CG . 26947 1 1156 . 1 1 135 135 PRO CD C 13 49.8830 0.1 . 1 . . . . 144 PRO CD . 26947 1 1157 . 1 1 136 136 GLN H H 1 8.3120 0.01 . 1 . . . . 145 GLN HN . 26947 1 1158 . 1 1 136 136 GLN HA H 1 4.8470 0.01 . 1 . . . . 145 GLN HA . 26947 1 1159 . 1 1 136 136 GLN C C 13 171.9320 0.1 . 1 . . . . 145 GLN C . 26947 1 1160 . 1 1 136 136 GLN CA C 13 53.5340 0.1 . 1 . . . . 145 GLN CA . 26947 1 1161 . 1 1 136 136 GLN CB C 13 30.9650 0.1 . 1 . . . . 145 GLN CB . 26947 1 1162 . 1 1 136 136 GLN N N 15 119.8160 0.1 . 1 . . . . 145 GLN N . 26947 1 1163 . 1 1 137 137 PRO HA H 1 4.4650 0.01 . 1 . . . . 146 PRO HA . 26947 1 1164 . 1 1 137 137 PRO HB2 H 1 1.7680 0.01 . 2 . . . . 146 PRO HB1 . 26947 1 1165 . 1 1 137 137 PRO HB3 H 1 2.0120 0.01 . 2 . . . . 146 PRO HB2 . 26947 1 1166 . 1 1 137 137 PRO HG2 H 1 2.1870 0.01 . 2 . . . . 146 PRO HG1 . 26947 1 1167 . 1 1 137 137 PRO HG3 H 1 2.1870 0.01 . 2 . . . . 146 PRO HG2 . 26947 1 1168 . 1 1 137 137 PRO HD2 H 1 3.6180 0.01 . 2 . . . . 146 PRO HD1 . 26947 1 1169 . 1 1 137 137 PRO HD3 H 1 3.7510 0.01 . 2 . . . . 146 PRO HD2 . 26947 1 1170 . 1 1 137 137 PRO C C 13 174.1420 0.1 . 1 . . . . 146 PRO C . 26947 1 1171 . 1 1 137 137 PRO CA C 13 62.5910 0.1 . 1 . . . . 146 PRO CA . 26947 1 1172 . 1 1 137 137 PRO CB C 13 33.0370 0.1 . 1 . . . . 146 PRO CB . 26947 1 1173 . 1 1 137 137 PRO CG C 13 27.7420 0.1 . 1 . . . . 146 PRO CG . 26947 1 1174 . 1 1 137 137 PRO CD C 13 51.0430 0.1 . 1 . . . . 146 PRO CD . 26947 1 1175 . 1 1 138 138 LEU H H 1 7.8250 0.01 . 1 . . . . 147 LEU HN . 26947 1 1176 . 1 1 138 138 LEU HA H 1 4.6780 0.01 . 1 . . . . 147 LEU HA . 26947 1 1177 . 1 1 138 138 LEU HB2 H 1 0.5660 0.01 . 2 . . . . 147 LEU HB1 . 26947 1 1178 . 1 1 138 138 LEU HB3 H 1 1.0260 0.01 . 2 . . . . 147 LEU HB2 . 26947 1 1179 . 1 1 138 138 LEU HD11 H 1 0.6670 0.01 . 2 . . . . 147 LEU HD11 . 26947 1 1180 . 1 1 138 138 LEU HD12 H 1 0.6670 0.01 . 2 . . . . 147 LEU HD11 . 26947 1 1181 . 1 1 138 138 LEU HD13 H 1 0.6670 0.01 . 2 . . . . 147 LEU HD11 . 26947 1 1182 . 1 1 138 138 LEU HD21 H 1 0.4330 0.01 . 2 . . . . 147 LEU HD21 . 26947 1 1183 . 1 1 138 138 LEU HD22 H 1 0.4330 0.01 . 2 . . . . 147 LEU HD21 . 26947 1 1184 . 1 1 138 138 LEU HD23 H 1 0.4330 0.01 . 2 . . . . 147 LEU HD21 . 26947 1 1185 . 1 1 138 138 LEU C C 13 173.6430 0.1 . 1 . . . . 147 LEU C . 26947 1 1186 . 1 1 138 138 LEU CA C 13 53.3970 0.1 . 1 . . . . 147 LEU CA . 26947 1 1187 . 1 1 138 138 LEU CB C 13 47.6490 0.1 . 1 . . . . 147 LEU CB . 26947 1 1188 . 1 1 138 138 LEU CD1 C 13 23.1470 0.1 . 2 . . . . 147 LEU CD1 . 26947 1 1189 . 1 1 138 138 LEU CD2 C 13 26.1330 0.1 . 2 . . . . 147 LEU CD2 . 26947 1 1190 . 1 1 138 138 LEU N N 15 117.3570 0.1 . 1 . . . . 147 LEU N . 26947 1 1191 . 1 1 139 139 VAL H H 1 8.3720 0.01 . 1 . . . . 148 VAL HN . 26947 1 1192 . 1 1 139 139 VAL HA H 1 4.9800 0.01 . 1 . . . . 148 VAL HA . 26947 1 1193 . 1 1 139 139 VAL HB H 1 1.6900 0.01 . 1 . . . . 148 VAL HB . 26947 1 1194 . 1 1 139 139 VAL HG11 H 1 0.8300 0.01 . 2 . . . . 148 VAL HG11 . 26947 1 1195 . 1 1 139 139 VAL HG12 H 1 0.8300 0.01 . 2 . . . . 148 VAL HG11 . 26947 1 1196 . 1 1 139 139 VAL HG13 H 1 0.8300 0.01 . 2 . . . . 148 VAL HG11 . 26947 1 1197 . 1 1 139 139 VAL HG21 H 1 0.9200 0.01 . 2 . . . . 148 VAL HG21 . 26947 1 1198 . 1 1 139 139 VAL HG22 H 1 0.9200 0.01 . 2 . . . . 148 VAL HG21 . 26947 1 1199 . 1 1 139 139 VAL HG23 H 1 0.9200 0.01 . 2 . . . . 148 VAL HG21 . 26947 1 1200 . 1 1 139 139 VAL C C 13 173.7260 0.1 . 1 . . . . 148 VAL C . 26947 1 1201 . 1 1 139 139 VAL CA C 13 59.6240 0.1 . 1 . . . . 148 VAL CA . 26947 1 1202 . 1 1 139 139 VAL CB C 13 34.5930 0.1 . 1 . . . . 148 VAL CB . 26947 1 1203 . 1 1 139 139 VAL CG1 C 13 22.0100 0.1 . 2 . . . . 148 VAL CG1 . 26947 1 1204 . 1 1 139 139 VAL CG2 C 13 23.1080 0.1 . 2 . . . . 148 VAL CG2 . 26947 1 1205 . 1 1 139 139 VAL N N 15 117.5990 0.1 . 1 . . . . 148 VAL N . 26947 1 1206 . 1 1 140 140 PHE H H 1 9.1250 0.01 . 1 . . . . 149 PHE HN . 26947 1 1207 . 1 1 140 140 PHE HA H 1 5.8550 0.01 . 1 . . . . 149 PHE HA . 26947 1 1208 . 1 1 140 140 PHE HB2 H 1 2.9510 0.01 . 2 . . . . 149 PHE HB1 . 26947 1 1209 . 1 1 140 140 PHE HB3 H 1 2.9510 0.01 . 2 . . . . 149 PHE HB2 . 26947 1 1210 . 1 1 140 140 PHE C C 13 176.5610 0.1 . 1 . . . . 149 PHE C . 26947 1 1211 . 1 1 140 140 PHE CA C 13 55.2280 0.1 . 1 . . . . 149 PHE CA . 26947 1 1212 . 1 1 140 140 PHE CB C 13 42.7290 0.1 . 1 . . . . 149 PHE CB . 26947 1 1213 . 1 1 140 140 PHE N N 15 123.2620 0.1 . 1 . . . . 149 PHE N . 26947 1 1214 . 1 1 141 141 VAL H H 1 9.5340 0.01 . 1 . . . . 150 VAL HN . 26947 1 1215 . 1 1 141 141 VAL HA H 1 5.2950 0.01 . 1 . . . . 150 VAL HA . 26947 1 1216 . 1 1 141 141 VAL HB H 1 1.9500 0.01 . 1 . . . . 150 VAL HB . 26947 1 1217 . 1 1 141 141 VAL HG11 H 1 0.8480 0.01 . 2 . . . . 150 VAL HG11 . 26947 1 1218 . 1 1 141 141 VAL HG12 H 1 0.8480 0.01 . 2 . . . . 150 VAL HG11 . 26947 1 1219 . 1 1 141 141 VAL HG13 H 1 0.8480 0.01 . 2 . . . . 150 VAL HG11 . 26947 1 1220 . 1 1 141 141 VAL HG21 H 1 0.9650 0.01 . 2 . . . . 150 VAL HG21 . 26947 1 1221 . 1 1 141 141 VAL HG22 H 1 0.9650 0.01 . 2 . . . . 150 VAL HG21 . 26947 1 1222 . 1 1 141 141 VAL HG23 H 1 0.9650 0.01 . 2 . . . . 150 VAL HG21 . 26947 1 1223 . 1 1 141 141 VAL C C 13 176.4230 0.1 . 1 . . . . 150 VAL C . 26947 1 1224 . 1 1 141 141 VAL CA C 13 62.0060 0.1 . 1 . . . . 150 VAL CA . 26947 1 1225 . 1 1 141 141 VAL CB C 13 33.2700 0.1 . 1 . . . . 150 VAL CB . 26947 1 1226 . 1 1 141 141 VAL CG1 C 13 21.6980 0.1 . 2 . . . . 150 VAL CG1 . 26947 1 1227 . 1 1 141 141 VAL CG2 C 13 22.1000 0.1 . 2 . . . . 150 VAL CG2 . 26947 1 1228 . 1 1 141 141 VAL N N 15 124.3660 0.1 . 1 . . . . 150 VAL N . 26947 1 1229 . 1 1 142 142 ILE H H 1 9.4550 0.01 . 1 . . . . 151 ILE HN . 26947 1 1230 . 1 1 142 142 ILE HA H 1 5.2640 0.01 . 1 . . . . 151 ILE HA . 26947 1 1231 . 1 1 142 142 ILE HB H 1 1.9160 0.01 . 1 . . . . 151 ILE HB . 26947 1 1232 . 1 1 142 142 ILE HG21 H 1 0.9320 0.01 . 1 . . . . 151 ILE HG21 . 26947 1 1233 . 1 1 142 142 ILE HG22 H 1 0.9320 0.01 . 1 . . . . 151 ILE HG21 . 26947 1 1234 . 1 1 142 142 ILE HG23 H 1 0.9320 0.01 . 1 . . . . 151 ILE HG21 . 26947 1 1235 . 1 1 142 142 ILE HD11 H 1 0.4950 0.01 . 1 . . . . 151 ILE HD11 . 26947 1 1236 . 1 1 142 142 ILE HD12 H 1 0.4950 0.01 . 1 . . . . 151 ILE HD11 . 26947 1 1237 . 1 1 142 142 ILE HD13 H 1 0.4950 0.01 . 1 . . . . 151 ILE HD11 . 26947 1 1238 . 1 1 142 142 ILE C C 13 173.4150 0.1 . 1 . . . . 151 ILE C . 26947 1 1239 . 1 1 142 142 ILE CA C 13 60.0180 0.1 . 1 . . . . 151 ILE CA . 26947 1 1240 . 1 1 142 142 ILE CB C 13 41.8070 0.1 . 1 . . . . 151 ILE CB . 26947 1 1241 . 1 1 142 142 ILE CG2 C 13 18.1590 0.1 . 1 . . . . 151 ILE CG2 . 26947 1 1242 . 1 1 142 142 ILE CD1 C 13 12.8200 0.1 . 1 . . . . 151 ILE CD1 . 26947 1 1243 . 1 1 142 142 ILE N N 15 129.3490 0.1 . 1 . . . . 151 ILE N . 26947 1 1244 . 1 1 143 143 GLU H H 1 8.9680 0.01 . 1 . . . . 152 GLU HN . 26947 1 1245 . 1 1 143 143 GLU HA H 1 5.6420 0.01 . 1 . . . . 152 GLU HA . 26947 1 1246 . 1 1 143 143 GLU HB2 H 1 1.9800 0.01 . 2 . . . . 152 GLU HB1 . 26947 1 1247 . 1 1 143 143 GLU HB3 H 1 1.9090 0.01 . 2 . . . . 152 GLU HB2 . 26947 1 1248 . 1 1 143 143 GLU HG2 H 1 2.0800 0.01 . 2 . . . . 152 GLU HG1 . 26947 1 1249 . 1 1 143 143 GLU HG3 H 1 2.0800 0.01 . 2 . . . . 152 GLU HG2 . 26947 1 1250 . 1 1 143 143 GLU C C 13 175.4810 0.1 . 1 . . . . 152 GLU C . 26947 1 1251 . 1 1 143 143 GLU CA C 13 53.5730 0.1 . 1 . . . . 152 GLU CA . 26947 1 1252 . 1 1 143 143 GLU CB C 13 33.4370 0.1 . 1 . . . . 152 GLU CB . 26947 1 1253 . 1 1 143 143 GLU CG C 13 35.7430 0.1 . 1 . . . . 152 GLU CG . 26947 1 1254 . 1 1 143 143 GLU N N 15 127.3320 0.1 . 1 . . . . 152 GLU N . 26947 1 1255 . 1 1 144 144 LEU H H 1 8.1220 0.01 . 1 . . . . 153 LEU HN . 26947 1 1256 . 1 1 144 144 LEU HA H 1 4.5680 0.01 . 1 . . . . 153 LEU HA . 26947 1 1257 . 1 1 144 144 LEU HB2 H 1 1.4010 0.01 . 2 . . . . 153 LEU HB1 . 26947 1 1258 . 1 1 144 144 LEU HB3 H 1 2.4480 0.01 . 2 . . . . 153 LEU HB2 . 26947 1 1259 . 1 1 144 144 LEU HG H 1 1.3870 0.01 . 1 . . . . 153 LEU HG . 26947 1 1260 . 1 1 144 144 LEU HD11 H 1 0.8260 0.01 . 2 . . . . 153 LEU HD11 . 26947 1 1261 . 1 1 144 144 LEU HD12 H 1 0.8260 0.01 . 2 . . . . 153 LEU HD11 . 26947 1 1262 . 1 1 144 144 LEU HD13 H 1 0.8260 0.01 . 2 . . . . 153 LEU HD11 . 26947 1 1263 . 1 1 144 144 LEU HD21 H 1 1.0600 0.01 . 2 . . . . 153 LEU HD21 . 26947 1 1264 . 1 1 144 144 LEU HD22 H 1 1.0600 0.01 . 2 . . . . 153 LEU HD21 . 26947 1 1265 . 1 1 144 144 LEU HD23 H 1 1.0600 0.01 . 2 . . . . 153 LEU HD21 . 26947 1 1266 . 1 1 144 144 LEU C C 13 176.0810 0.1 . 1 . . . . 153 LEU C . 26947 1 1267 . 1 1 144 144 LEU CA C 13 55.4700 0.1 . 1 . . . . 153 LEU CA . 26947 1 1268 . 1 1 144 144 LEU CB C 13 40.9760 0.1 . 1 . . . . 153 LEU CB . 26947 1 1269 . 1 1 144 144 LEU CG C 13 28.7400 0.1 . 1 . . . . 153 LEU CG . 26947 1 1270 . 1 1 144 144 LEU CD1 C 13 26.0900 0.1 . 2 . . . . 153 LEU CD1 . 26947 1 1271 . 1 1 144 144 LEU CD2 C 13 25.4000 0.1 . 2 . . . . 153 LEU CD2 . 26947 1 1272 . 1 1 144 144 LEU N N 15 128.1020 0.1 . 1 . . . . 153 LEU N . 26947 1 1273 . 1 1 145 145 LEU H H 1 9.0650 0.01 . 1 . . . . 154 LEU HN . 26947 1 1274 . 1 1 145 145 LEU HA H 1 4.5310 0.01 . 1 . . . . 154 LEU HA . 26947 1 1275 . 1 1 145 145 LEU HB2 H 1 1.5050 0.01 . 2 . . . . 154 LEU HB1 . 26947 1 1276 . 1 1 145 145 LEU HB3 H 1 1.5050 0.01 . 2 . . . . 154 LEU HB2 . 26947 1 1277 . 1 1 145 145 LEU HG H 1 1.7810 0.01 . 1 . . . . 154 LEU HG . 26947 1 1278 . 1 1 145 145 LEU HD11 H 1 0.7220 0.01 . 2 . . . . 154 LEU HD11 . 26947 1 1279 . 1 1 145 145 LEU HD12 H 1 0.7220 0.01 . 2 . . . . 154 LEU HD11 . 26947 1 1280 . 1 1 145 145 LEU HD13 H 1 0.7220 0.01 . 2 . . . . 154 LEU HD11 . 26947 1 1281 . 1 1 145 145 LEU HD21 H 1 0.8620 0.01 . 2 . . . . 154 LEU HD21 . 26947 1 1282 . 1 1 145 145 LEU HD22 H 1 0.8620 0.01 . 2 . . . . 154 LEU HD21 . 26947 1 1283 . 1 1 145 145 LEU HD23 H 1 0.8620 0.01 . 2 . . . . 154 LEU HD21 . 26947 1 1284 . 1 1 145 145 LEU C C 13 177.2310 0.1 . 1 . . . . 154 LEU C . 26947 1 1285 . 1 1 145 145 LEU CA C 13 56.6290 0.1 . 1 . . . . 154 LEU CA . 26947 1 1286 . 1 1 145 145 LEU CB C 13 42.9720 0.1 . 1 . . . . 154 LEU CB . 26947 1 1287 . 1 1 145 145 LEU CG C 13 28.2010 0.1 . 1 . . . . 154 LEU CG . 26947 1 1288 . 1 1 145 145 LEU CD1 C 13 25.7720 0.1 . 2 . . . . 154 LEU CD1 . 26947 1 1289 . 1 1 145 145 LEU CD2 C 13 22.8850 0.1 . 2 . . . . 154 LEU CD2 . 26947 1 1290 . 1 1 145 145 LEU N N 15 128.1100 0.1 . 1 . . . . 154 LEU N . 26947 1 1291 . 1 1 146 146 GLN H H 1 7.7310 0.01 . 1 . . . . 155 GLN HN . 26947 1 1292 . 1 1 146 146 GLN HA H 1 4.2650 0.01 . 1 . . . . 155 GLN HA . 26947 1 1293 . 1 1 146 146 GLN HB2 H 1 1.6130 0.01 . 2 . . . . 155 GLN HB1 . 26947 1 1294 . 1 1 146 146 GLN HB3 H 1 2.2410 0.01 . 2 . . . . 155 GLN HB2 . 26947 1 1295 . 1 1 146 146 GLN C C 13 172.4670 0.1 . 1 . . . . 155 GLN C . 26947 1 1296 . 1 1 146 146 GLN CA C 13 56.5670 0.1 . 1 . . . . 155 GLN CA . 26947 1 1297 . 1 1 146 146 GLN CB C 13 31.8970 0.1 . 1 . . . . 155 GLN CB . 26947 1 1298 . 1 1 146 146 GLN CG C 13 33.5630 0.1 . 1 . . . . 155 GLN CG . 26947 1 1299 . 1 1 146 146 GLN N N 15 116.1340 0.1 . 1 . . . . 155 GLN N . 26947 1 1300 . 1 1 147 147 VAL H H 1 8.4830 0.01 . 1 . . . . 156 VAL HN . 26947 1 1301 . 1 1 147 147 VAL HA H 1 4.9780 0.01 . 1 . . . . 156 VAL HA . 26947 1 1302 . 1 1 147 147 VAL HB H 1 1.7250 0.01 . 1 . . . . 156 VAL HB . 26947 1 1303 . 1 1 147 147 VAL HG11 H 1 0.8690 0.01 . 2 . . . . 156 VAL HG11 . 26947 1 1304 . 1 1 147 147 VAL HG12 H 1 0.8690 0.01 . 2 . . . . 156 VAL HG11 . 26947 1 1305 . 1 1 147 147 VAL HG13 H 1 0.8690 0.01 . 2 . . . . 156 VAL HG11 . 26947 1 1306 . 1 1 147 147 VAL HG21 H 1 0.5940 0.01 . 2 . . . . 156 VAL HG21 . 26947 1 1307 . 1 1 147 147 VAL HG22 H 1 0.5940 0.01 . 2 . . . . 156 VAL HG21 . 26947 1 1308 . 1 1 147 147 VAL HG23 H 1 0.5940 0.01 . 2 . . . . 156 VAL HG21 . 26947 1 1309 . 1 1 147 147 VAL C C 13 174.7330 0.1 . 1 . . . . 156 VAL C . 26947 1 1310 . 1 1 147 147 VAL CA C 13 61.3460 0.1 . 1 . . . . 156 VAL CA . 26947 1 1311 . 1 1 147 147 VAL CB C 13 34.5460 0.1 . 1 . . . . 156 VAL CB . 26947 1 1312 . 1 1 147 147 VAL CG1 C 13 23.1660 0.1 . 2 . . . . 156 VAL CG1 . 26947 1 1313 . 1 1 147 147 VAL CG2 C 13 20.4010 0.1 . 2 . . . . 156 VAL CG2 . 26947 1 1314 . 1 1 147 147 VAL N N 15 123.6700 0.1 . 1 . . . . 156 VAL N . 26947 1 1315 . 1 1 148 148 ASP H H 1 9.4940 0.01 . 1 . . . . 157 ASP HN . 26947 1 1316 . 1 1 148 148 ASP HA H 1 5.0770 0.01 . 1 . . . . 157 ASP HA . 26947 1 1317 . 1 1 148 148 ASP HB2 H 1 2.5610 0.01 . 2 . . . . 157 ASP HB1 . 26947 1 1318 . 1 1 148 148 ASP HB3 H 1 2.7320 0.01 . 2 . . . . 157 ASP HB2 . 26947 1 1319 . 1 1 148 148 ASP C C 13 175.3300 0.1 . 1 . . . . 157 ASP C . 26947 1 1320 . 1 1 148 148 ASP CA C 13 52.6060 0.1 . 1 . . . . 157 ASP CA . 26947 1 1321 . 1 1 148 148 ASP CB C 13 43.4450 0.1 . 1 . . . . 157 ASP CB . 26947 1 1322 . 1 1 148 148 ASP N N 15 127.8930 0.1 . 1 . . . . 157 ASP N . 26947 1 1323 . 1 1 149 149 ALA H H 1 8.5240 0.01 . 1 . . . . 158 ALA HN . 26947 1 1324 . 1 1 149 149 ALA HA H 1 4.5400 0.01 . 1 . . . . 158 ALA HA . 26947 1 1325 . 1 1 149 149 ALA HB1 H 1 1.3640 0.01 . 1 . . . . 158 ALA HB1 . 26947 1 1326 . 1 1 149 149 ALA HB2 H 1 1.3640 0.01 . 1 . . . . 158 ALA HB1 . 26947 1 1327 . 1 1 149 149 ALA HB3 H 1 1.3640 0.01 . 1 . . . . 158 ALA HB1 . 26947 1 1328 . 1 1 149 149 ALA C C 13 175.8730 0.1 . 1 . . . . 158 ALA C . 26947 1 1329 . 1 1 149 149 ALA CA C 13 50.4830 0.1 . 1 . . . . 158 ALA CA . 26947 1 1330 . 1 1 149 149 ALA CB C 13 17.5120 0.1 . 1 . . . . 158 ALA CB . 26947 1 1331 . 1 1 149 149 ALA N N 15 125.4390 0.1 . 1 . . . . 158 ALA N . 26947 1 1332 . 1 1 150 150 PRO HA H 1 4.4120 0.01 . 1 . . . . 159 PRO HA . 26947 1 1333 . 1 1 150 150 PRO HB2 H 1 1.9760 0.01 . 2 . . . . 159 PRO HB1 . 26947 1 1334 . 1 1 150 150 PRO HB3 H 1 2.2050 0.01 . 2 . . . . 159 PRO HB2 . 26947 1 1335 . 1 1 150 150 PRO HD2 H 1 3.4910 0.01 . 2 . . . . 159 PRO HD1 . 26947 1 1336 . 1 1 150 150 PRO HD3 H 1 3.5660 0.01 . 2 . . . . 159 PRO HD2 . 26947 1 1337 . 1 1 150 150 PRO C C 13 176.6050 0.1 . 1 . . . . 159 PRO C . 26947 1 1338 . 1 1 150 150 PRO CA C 13 63.3520 0.1 . 1 . . . . 159 PRO CA . 26947 1 1339 . 1 1 150 150 PRO CB C 13 31.9260 0.1 . 1 . . . . 159 PRO CB . 26947 1 1340 . 1 1 150 150 PRO CG C 13 27.3670 0.1 . 1 . . . . 159 PRO CG . 26947 1 1341 . 1 1 150 150 PRO CD C 13 49.9610 0.1 . 1 . . . . 159 PRO CD . 26947 1 1342 . 1 1 151 151 SER H H 1 8.3610 0.01 . 1 . . . . 160 SER HN . 26947 1 1343 . 1 1 151 151 SER HA H 1 4.4080 0.01 . 1 . . . . 160 SER HA . 26947 1 1344 . 1 1 151 151 SER HB2 H 1 3.8270 0.01 . 2 . . . . 160 SER HB1 . 26947 1 1345 . 1 1 151 151 SER HB3 H 1 3.8270 0.01 . 2 . . . . 160 SER HB2 . 26947 1 1346 . 1 1 151 151 SER C C 13 173.4650 0.1 . 1 . . . . 160 SER C . 26947 1 1347 . 1 1 151 151 SER CA C 13 58.1500 0.1 . 1 . . . . 160 SER CA . 26947 1 1348 . 1 1 151 151 SER CB C 13 64.3280 0.1 . 1 . . . . 160 SER CB . 26947 1 1349 . 1 1 151 151 SER N N 15 116.2340 0.1 . 1 . . . . 160 SER N . 26947 1 1350 . 1 1 152 152 ASP H H 1 7.9710 0.01 . 1 . . . . 161 ASP HN . 26947 1 1351 . 1 1 152 152 ASP HA H 1 4.3500 0.01 . 1 . . . . 161 ASP HA . 26947 1 1352 . 1 1 152 152 ASP C C 13 180.8160 0.1 . 1 . . . . 161 ASP C . 26947 1 1353 . 1 1 152 152 ASP CA C 13 56.0430 0.1 . 1 . . . . 161 ASP CA . 26947 1 1354 . 1 1 152 152 ASP CB C 13 42.2230 0.1 . 1 . . . . 161 ASP CB . 26947 1 1355 . 1 1 152 152 ASP N N 15 127.7450 0.1 . 1 . . . . 161 ASP N . 26947 1 stop_ save_