data_17249 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17249 _Entry.Title ; 1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-12 _Entry.Accession_date 2010-10-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Subunit from AlgE6' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Trygve Andressen . . . 17249 2 Edith Buchinger . . . 17249 3 Gudmund Skjaak-Break . . . 17249 4 Svein Valla . . . 17249 5 Finn Aachmann . L. . 17249 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17249 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 606 17249 '15N chemical shifts' 160 17249 '1H chemical shifts' 941 17249 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-13 2010-10-20 update BMRB 'update entry citation' 17249 1 . . 2011-01-18 2010-10-20 original author 'original release' 17249 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17249 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21188559 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 147 _Citation.Page_last 149 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Trygve Andreassen . . . 17249 1 2 Edith Buchinger . . . 17249 1 3 Gudmund Skjak-Braek . . . 17249 1 4 Svein Valla . . . 17249 1 5 Finn Aachmann . L. . 17249 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'A and R-module' 17249 1 Alginate 17249 1 'Mannuronan C5-Epimerases' 17249 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17249 _Assembly.ID 1 _Assembly.Name R2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 R2 1 $AlgE6R2 A . yes native no no . . . 17249 1 2 'calcium ion' 2 $CA B . no native no no . . . 17249 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AlgE6R2 _Entity.Sf_category entity _Entity.Sf_framecode AlgE6R2 _Entity.Entry_ID 17249 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AlgE6R2 _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 ; DPSAEAQPIVGSDLDDQLHG TLLGEEISGGGGADQLYGYG GGDLLDGGAGRDRLTGGEGA DTFRFALREDSQRSAAGTFS DLILDFDPTQDKLDVSALGF TGLGNGYAGTLAVSVSDDGT RTYLKSYETDAEGRSFEVSL QGNHAAALSADNILFATPVP V ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ASP . 17249 1 2 . PRO . 17249 1 3 . SER . 17249 1 4 . ALA . 17249 1 5 . GLU . 17249 1 6 . ALA . 17249 1 7 . GLN . 17249 1 8 . PRO . 17249 1 9 . ILE . 17249 1 10 . VAL . 17249 1 11 . GLY . 17249 1 12 . SER . 17249 1 13 . ASP . 17249 1 14 . LEU . 17249 1 15 . ASP . 17249 1 16 . ASP . 17249 1 17 . GLN . 17249 1 18 . LEU . 17249 1 19 . HIS . 17249 1 20 . GLY . 17249 1 21 . THR . 17249 1 22 . LEU . 17249 1 23 . LEU . 17249 1 24 . GLY . 17249 1 25 . GLU . 17249 1 26 . GLU . 17249 1 27 . ILE . 17249 1 28 . SER . 17249 1 29 . GLY . 17249 1 30 . GLY . 17249 1 31 . GLY . 17249 1 32 . GLY . 17249 1 33 . ALA . 17249 1 34 . ASP . 17249 1 35 . GLN . 17249 1 36 . LEU . 17249 1 37 . TYR . 17249 1 38 . GLY . 17249 1 39 . TYR . 17249 1 40 . GLY . 17249 1 41 . GLY . 17249 1 42 . GLY . 17249 1 43 . ASP . 17249 1 44 . LEU . 17249 1 45 . LEU . 17249 1 46 . ASP . 17249 1 47 . GLY . 17249 1 48 . GLY . 17249 1 49 . ALA . 17249 1 50 . GLY . 17249 1 51 . ARG . 17249 1 52 . ASP . 17249 1 53 . ARG . 17249 1 54 . LEU . 17249 1 55 . THR . 17249 1 56 . GLY . 17249 1 57 . GLY . 17249 1 58 . GLU . 17249 1 59 . GLY . 17249 1 60 . ALA . 17249 1 61 . ASP . 17249 1 62 . THR . 17249 1 63 . PHE . 17249 1 64 . ARG . 17249 1 65 . PHE . 17249 1 66 . ALA . 17249 1 67 . LEU . 17249 1 68 . ARG . 17249 1 69 . GLU . 17249 1 70 . ASP . 17249 1 71 . SER . 17249 1 72 . GLN . 17249 1 73 . ARG . 17249 1 74 . SER . 17249 1 75 . ALA . 17249 1 76 . ALA . 17249 1 77 . GLY . 17249 1 78 . THR . 17249 1 79 . PHE . 17249 1 80 . SER . 17249 1 81 . ASP . 17249 1 82 . LEU . 17249 1 83 . ILE . 17249 1 84 . LEU . 17249 1 85 . ASP . 17249 1 86 . PHE . 17249 1 87 . ASP . 17249 1 88 . PRO . 17249 1 89 . THR . 17249 1 90 . GLN . 17249 1 91 . ASP . 17249 1 92 . LYS . 17249 1 93 . LEU . 17249 1 94 . ASP . 17249 1 95 . VAL . 17249 1 96 . SER . 17249 1 97 . ALA . 17249 1 98 . LEU . 17249 1 99 . GLY . 17249 1 100 . PHE . 17249 1 101 . THR . 17249 1 102 . GLY . 17249 1 103 . LEU . 17249 1 104 . GLY . 17249 1 105 . ASN . 17249 1 106 . GLY . 17249 1 107 . TYR . 17249 1 108 . ALA . 17249 1 109 . GLY . 17249 1 110 . THR . 17249 1 111 . LEU . 17249 1 112 . ALA . 17249 1 113 . VAL . 17249 1 114 . SER . 17249 1 115 . VAL . 17249 1 116 . SER . 17249 1 117 . ASP . 17249 1 118 . ASP . 17249 1 119 . GLY . 17249 1 120 . THR . 17249 1 121 . ARG . 17249 1 122 . THR . 17249 1 123 . TYR . 17249 1 124 . LEU . 17249 1 125 . LYS . 17249 1 126 . SER . 17249 1 127 . TYR . 17249 1 128 . GLU . 17249 1 129 . THR . 17249 1 130 . ASP . 17249 1 131 . ALA . 17249 1 132 . GLU . 17249 1 133 . GLY . 17249 1 134 . ARG . 17249 1 135 . SER . 17249 1 136 . PHE . 17249 1 137 . GLU . 17249 1 138 . VAL . 17249 1 139 . SER . 17249 1 140 . LEU . 17249 1 141 . GLN . 17249 1 142 . GLY . 17249 1 143 . ASN . 17249 1 144 . HIS . 17249 1 145 . ALA . 17249 1 146 . ALA . 17249 1 147 . ALA . 17249 1 148 . LEU . 17249 1 149 . SER . 17249 1 150 . ALA . 17249 1 151 . ASP . 17249 1 152 . ASN . 17249 1 153 . ILE . 17249 1 154 . LEU . 17249 1 155 . PHE . 17249 1 156 . ALA . 17249 1 157 . THR . 17249 1 158 . PRO . 17249 1 159 . VAL . 17249 1 160 . PRO . 17249 1 161 . VAL . 17249 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 . ASP 1 1 17249 1 . PRO 2 2 17249 1 . SER 3 3 17249 1 . ALA 4 4 17249 1 . GLU 5 5 17249 1 . ALA 6 6 17249 1 . GLN 7 7 17249 1 . PRO 8 8 17249 1 . ILE 9 9 17249 1 . VAL 10 10 17249 1 . GLY 11 11 17249 1 . SER 12 12 17249 1 . ASP 13 13 17249 1 . LEU 14 14 17249 1 . ASP 15 15 17249 1 . ASP 16 16 17249 1 . GLN 17 17 17249 1 . LEU 18 18 17249 1 . HIS 19 19 17249 1 . GLY 20 20 17249 1 . THR 21 21 17249 1 . LEU 22 22 17249 1 . LEU 23 23 17249 1 . GLY 24 24 17249 1 . GLU 25 25 17249 1 . GLU 26 26 17249 1 . ILE 27 27 17249 1 . SER 28 28 17249 1 . GLY 29 29 17249 1 . GLY 30 30 17249 1 . GLY 31 31 17249 1 . GLY 32 32 17249 1 . ALA 33 33 17249 1 . ASP 34 34 17249 1 . GLN 35 35 17249 1 . LEU 36 36 17249 1 . TYR 37 37 17249 1 . GLY 38 38 17249 1 . TYR 39 39 17249 1 . GLY 40 40 17249 1 . GLY 41 41 17249 1 . GLY 42 42 17249 1 . ASP 43 43 17249 1 . LEU 44 44 17249 1 . LEU 45 45 17249 1 . ASP 46 46 17249 1 . GLY 47 47 17249 1 . GLY 48 48 17249 1 . ALA 49 49 17249 1 . GLY 50 50 17249 1 . ARG 51 51 17249 1 . ASP 52 52 17249 1 . ARG 53 53 17249 1 . LEU 54 54 17249 1 . THR 55 55 17249 1 . GLY 56 56 17249 1 . GLY 57 57 17249 1 . GLU 58 58 17249 1 . GLY 59 59 17249 1 . ALA 60 60 17249 1 . ASP 61 61 17249 1 . THR 62 62 17249 1 . PHE 63 63 17249 1 . ARG 64 64 17249 1 . PHE 65 65 17249 1 . ALA 66 66 17249 1 . LEU 67 67 17249 1 . ARG 68 68 17249 1 . GLU 69 69 17249 1 . ASP 70 70 17249 1 . SER 71 71 17249 1 . GLN 72 72 17249 1 . ARG 73 73 17249 1 . SER 74 74 17249 1 . ALA 75 75 17249 1 . ALA 76 76 17249 1 . GLY 77 77 17249 1 . THR 78 78 17249 1 . PHE 79 79 17249 1 . SER 80 80 17249 1 . ASP 81 81 17249 1 . LEU 82 82 17249 1 . ILE 83 83 17249 1 . LEU 84 84 17249 1 . ASP 85 85 17249 1 . PHE 86 86 17249 1 . ASP 87 87 17249 1 . PRO 88 88 17249 1 . THR 89 89 17249 1 . GLN 90 90 17249 1 . ASP 91 91 17249 1 . LYS 92 92 17249 1 . LEU 93 93 17249 1 . ASP 94 94 17249 1 . VAL 95 95 17249 1 . SER 96 96 17249 1 . ALA 97 97 17249 1 . LEU 98 98 17249 1 . GLY 99 99 17249 1 . PHE 100 100 17249 1 . THR 101 101 17249 1 . GLY 102 102 17249 1 . LEU 103 103 17249 1 . GLY 104 104 17249 1 . ASN 105 105 17249 1 . GLY 106 106 17249 1 . TYR 107 107 17249 1 . ALA 108 108 17249 1 . GLY 109 109 17249 1 . THR 110 110 17249 1 . LEU 111 111 17249 1 . ALA 112 112 17249 1 . VAL 113 113 17249 1 . SER 114 114 17249 1 . VAL 115 115 17249 1 . SER 116 116 17249 1 . ASP 117 117 17249 1 . ASP 118 118 17249 1 . GLY 119 119 17249 1 . THR 120 120 17249 1 . ARG 121 121 17249 1 . THR 122 122 17249 1 . TYR 123 123 17249 1 . LEU 124 124 17249 1 . LYS 125 125 17249 1 . SER 126 126 17249 1 . TYR 127 127 17249 1 . GLU 128 128 17249 1 . THR 129 129 17249 1 . ASP 130 130 17249 1 . ALA 131 131 17249 1 . GLU 132 132 17249 1 . GLY 133 133 17249 1 . ARG 134 134 17249 1 . SER 135 135 17249 1 . PHE 136 136 17249 1 . GLU 137 137 17249 1 . VAL 138 138 17249 1 . SER 139 139 17249 1 . LEU 140 140 17249 1 . GLN 141 141 17249 1 . GLY 142 142 17249 1 . ASN 143 143 17249 1 . HIS 144 144 17249 1 . ALA 145 145 17249 1 . ALA 146 146 17249 1 . ALA 147 147 17249 1 . LEU 148 148 17249 1 . SER 149 149 17249 1 . ALA 150 150 17249 1 . ASP 151 151 17249 1 . ASN 152 152 17249 1 . ILE 153 153 17249 1 . LEU 154 154 17249 1 . PHE 155 155 17249 1 . ALA 156 156 17249 1 . THR 157 157 17249 1 . PRO 158 158 17249 1 . VAL 159 159 17249 1 . PRO 160 160 17249 1 . VAL 161 161 17249 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 17249 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . CA . 17249 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 17249 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AlgE6R2 . 354 organism . 'Azotobacter vinelandii' 'Azotobacter vinelandii' . . Bacteria . Azotobacter vinelandii . . . . . . . . . . . . . . . . . . 'The gene encoding for AlgE6R2 have been re-designed and synthesized de novo' . . 17249 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 17249 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AlgE6R2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli ER2566 . . . . . . . . . . . . . . . pFA12 . . . 'The Synthetic gene was inserted into the pTYB12 (IMPACT-CN, New England Biolabs) resulting in pFA12' . . 17249 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 17249 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; _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 BHPQYMZQTOCNFJ-UHFFFAOYAP InChIKey InChI 1.02b 17249 CA [Ca++] SMILES CACTVS 3.341 17249 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 17249 CA [Ca+2] SMILES ACDLabs 10.04 17249 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 17249 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17249 CA InChI=1/Ca/q+2 InChI InChI 1.02b 17249 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 17249 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17249 CA 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 CA . CA . . CA . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 17249 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_AlgE6R2_H2O _Sample.Sf_category sample _Sample.Sf_framecode AlgE6R2_H2O _Sample.Entry_ID 17249 _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 AlgE6R2 '[U-98% 13C; U-98% 15N]' . . 1 $AlgE6R2 . . . 1 1.2 mM 0.1 . . . 17249 1 2 'calcium chloride' 'natural abundance' . . 2 $CA . . 25 . . mM 0.1 . . . 17249 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 17249 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17249 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17249 1 stop_ save_ save_AlgE6R2_D2O _Sample.Sf_category sample _Sample.Sf_framecode AlgE6R2_D2O _Sample.Entry_ID 17249 _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 AlgE6R2 '[U-98% 13C; U-98% 15N]' . . 1 $AlgE6R2 . . . 1 1.2 mM 0.1 . . . 17249 2 2 'calcium chloride' 'natural abundance' . . 2 $CA . . 25 . . mM 0.1 . . . 17249 2 3 HEPES 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 17249 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17249 2 stop_ save_ save_nonAlgE6R2_D2O _Sample.Sf_category sample _Sample.Sf_framecode nonAlgE6R2_D2O _Sample.Entry_ID 17249 _Sample.ID 3 _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 AlgE6R2 'natural abundance' . . 1 $AlgE6R2 . . . 1 1.2 mM 0.1 . . . 17249 3 2 'calcium chloride' 'natural abundance' . . 2 $CA . . 25 . . mM 0.1 . . . 17249 3 3 HEPES 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 17249 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17249 3 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 17249 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.165 0.05 M 17249 1 pH 6.9 0.1 pH 17249 1 pressure 1 . atm 17249 1 temperature 298 0.1 K 17249 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17249 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17249 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17249 1 stop_ save_ save_cara _Software.Sf_category software _Software.Sf_framecode cara _Software.Entry_ID 17249 _Software.ID 2 _Software.Name CARA _Software.Version '1.4.1; 1.5.2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17249 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17249 2 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 17249 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17249 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17249 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 17249 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $AlgE6R2_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 4 '3D HNCO' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $nonAlgE6R2_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 6 '2D 1H-1H COSY' no . . . . . . . . . . 3 $nonAlgE6R2_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $nonAlgE6R2_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 8 '3D HNCA' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $AlgE6R2_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 12 '3D HCCH-COSY' no . . . . . . . . . . 2 $AlgE6R2_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 13 '3D HBHANH' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 14 '3D CBCANH' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 1 15 '3D HN(CA)CO' no . . . . . . . . . . 1 $AlgE6R2_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17249 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 17249 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17249 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17249 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17249 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 17249 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17249 1 2 '2D 1H-13C HSQC' . . . 17249 1 3 '3D CBCA(CO)NH' . . . 17249 1 4 '3D HNCO' . . . 17249 1 5 '2D 1H-1H TOCSY' . . . 17249 1 6 '2D 1H-1H COSY' . . . 17249 1 8 '3D HNCA' . . . 17249 1 9 '3D HBHA(CO)NH' . . . 17249 1 10 '3D HN(CO)CA' . . . 17249 1 11 '3D HCCH-TOCSY' . . . 17249 1 12 '3D HCCH-COSY' . . . 17249 1 14 '3D CBCANH' . . . 17249 1 15 '3D HN(CA)CO' . . . 17249 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $cara . . 17249 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.45 0.02 . 1 . . . . 2 PRO HA . 17249 1 2 . 1 1 2 2 PRO HB2 H 1 2.00 0.02 . 2 . . . . 2 PRO HB2 . 17249 1 3 . 1 1 2 2 PRO HB3 H 1 1.96 0.02 . 2 . . . . 2 PRO HB3 . 17249 1 4 . 1 1 2 2 PRO HD2 H 1 3.88 0.02 . 2 . . . . 2 PRO HD2 . 17249 1 5 . 1 1 2 2 PRO HD3 H 1 3.67 0.02 . 2 . . . . 2 PRO HD3 . 17249 1 6 . 1 1 2 2 PRO HG2 H 1 2.34 0.02 . 2 . . . . 2 PRO HG2 . 17249 1 7 . 1 1 2 2 PRO HG3 H 1 2.19 0.02 . 2 . . . . 2 PRO HG3 . 17249 1 8 . 1 1 2 2 PRO C C 13 177.3 0.3 . 1 . . . . 2 PRO C . 17249 1 9 . 1 1 2 2 PRO CA C 13 63.9 0.3 . 1 . . . . 2 PRO CA . 17249 1 10 . 1 1 2 2 PRO CB C 13 32.1 0.3 . 1 . . . . 2 PRO CB . 17249 1 11 . 1 1 2 2 PRO CD C 13 51.1 0.3 . 1 . . . . 2 PRO CD . 17249 1 12 . 1 1 2 2 PRO CG C 13 32.1 0.3 . 1 . . . . 2 PRO CG . 17249 1 13 . 1 1 3 3 SER H H 1 8.37 0.02 . 1 . . . . 3 SER H . 17249 1 14 . 1 1 3 3 SER HA H 1 4.40 0.02 . 1 . . . . 3 SER HA . 17249 1 15 . 1 1 3 3 SER HB2 H 1 3.91 0.02 . 2 . . . . 3 SER HB2 . 17249 1 16 . 1 1 3 3 SER HB3 H 1 3.87 0.02 . 2 . . . . 3 SER HB3 . 17249 1 17 . 1 1 3 3 SER C C 13 174.3 0.3 . 1 . . . . 3 SER C . 17249 1 18 . 1 1 3 3 SER CA C 13 58.6 0.3 . 1 . . . . 3 SER CA . 17249 1 19 . 1 1 3 3 SER CB C 13 63.7 0.3 . 1 . . . . 3 SER CB . 17249 1 20 . 1 1 3 3 SER N N 15 115.8 0.3 . 1 . . . . 3 SER N . 17249 1 21 . 1 1 4 4 ALA H H 1 8.08 0.02 . 1 . . . . 4 ALA H . 17249 1 22 . 1 1 4 4 ALA HA H 1 4.38 0.02 . 1 . . . . 4 ALA HA . 17249 1 23 . 1 1 4 4 ALA HB1 H 1 1.43 0.02 . 1 . . . . 4 ALA HB . 17249 1 24 . 1 1 4 4 ALA HB2 H 1 1.43 0.02 . 1 . . . . 4 ALA HB . 17249 1 25 . 1 1 4 4 ALA HB3 H 1 1.43 0.02 . 1 . . . . 4 ALA HB . 17249 1 26 . 1 1 4 4 ALA C C 13 177.5 0.3 . 1 . . . . 4 ALA C . 17249 1 27 . 1 1 4 4 ALA CA C 13 52.3 0.3 . 1 . . . . 4 ALA CA . 17249 1 28 . 1 1 4 4 ALA CB C 13 19.5 0.3 . 1 . . . . 4 ALA CB . 17249 1 29 . 1 1 4 4 ALA N N 15 126.3 0.3 . 1 . . . . 4 ALA N . 17249 1 30 . 1 1 5 5 GLU H H 1 8.09 0.02 . 1 . . . . 5 GLU H . 17249 1 31 . 1 1 5 5 GLU HA H 1 4.38 0.02 . 1 . . . . 5 GLU HA . 17249 1 32 . 1 1 5 5 GLU HB2 H 1 2.11 0.02 . 2 . . . . 5 GLU HB2 . 17249 1 33 . 1 1 5 5 GLU HB3 H 1 2.04 0.02 . 2 . . . . 5 GLU HB3 . 17249 1 34 . 1 1 5 5 GLU HG2 H 1 2.26 0.02 . 1 . . . . 5 GLU HG2 . 17249 1 35 . 1 1 5 5 GLU C C 13 176.0 0.3 . 1 . . . . 5 GLU C . 17249 1 36 . 1 1 5 5 GLU CA C 13 56.5 0.3 . 1 . . . . 5 GLU CA . 17249 1 37 . 1 1 5 5 GLU CB C 13 31.4 0.3 . 1 . . . . 5 GLU CB . 17249 1 38 . 1 1 5 5 GLU CG C 13 36.5 0.3 . 1 . . . . 5 GLU CG . 17249 1 39 . 1 1 5 5 GLU N N 15 120.5 0.3 . 1 . . . . 5 GLU N . 17249 1 40 . 1 1 6 6 ALA H H 1 8.30 0.02 . 1 . . . . 6 ALA H . 17249 1 41 . 1 1 6 6 ALA HA H 1 4.48 0.02 . 1 . . . . 6 ALA HA . 17249 1 42 . 1 1 6 6 ALA HB1 H 1 1.44 0.02 . 1 . . . . 6 ALA HB . 17249 1 43 . 1 1 6 6 ALA HB2 H 1 1.44 0.02 . 1 . . . . 6 ALA HB . 17249 1 44 . 1 1 6 6 ALA HB3 H 1 1.44 0.02 . 1 . . . . 6 ALA HB . 17249 1 45 . 1 1 6 6 ALA C C 13 177.4 0.3 . 1 . . . . 6 ALA C . 17249 1 46 . 1 1 6 6 ALA CA C 13 51.3 0.3 . 1 . . . . 6 ALA CA . 17249 1 47 . 1 1 6 6 ALA CB C 13 20.7 0.3 . 1 . . . . 6 ALA CB . 17249 1 48 . 1 1 6 6 ALA N N 15 125.4 0.3 . 1 . . . . 6 ALA N . 17249 1 49 . 1 1 7 7 GLN H H 1 8.39 0.02 . 1 . . . . 7 GLN H . 17249 1 50 . 1 1 7 7 GLN HA H 1 4.52 0.02 . 1 . . . . 7 GLN HA . 17249 1 51 . 1 1 7 7 GLN HB2 H 1 2.13 0.02 . 2 . . . . 7 GLN HB2 . 17249 1 52 . 1 1 7 7 GLN HB3 H 1 2.00 0.02 . 2 . . . . 7 GLN HB3 . 17249 1 53 . 1 1 7 7 GLN HE21 H 1 7.67 0.02 . 1 . . . . 7 GLN HE21 . 17249 1 54 . 1 1 7 7 GLN HE22 H 1 7.07 0.02 . 1 . . . . 7 GLN HE22 . 17249 1 55 . 1 1 7 7 GLN HG2 H 1 2.49 0.02 . 1 . . . . 7 GLN HG2 . 17249 1 56 . 1 1 7 7 GLN C C 13 173.3 0.3 . 1 . . . . 7 GLN C . 17249 1 57 . 1 1 7 7 GLN CA C 13 53.9 0.3 . 1 . . . . 7 GLN CA . 17249 1 58 . 1 1 7 7 GLN CB C 13 28.8 0.3 . 1 . . . . 7 GLN CB . 17249 1 59 . 1 1 7 7 GLN CG C 13 33.6 0.3 . 1 . . . . 7 GLN CG . 17249 1 60 . 1 1 7 7 GLN N N 15 123.0 0.3 . 1 . . . . 7 GLN N . 17249 1 61 . 1 1 7 7 GLN NE2 N 15 112.4 0.3 . 1 . . . . 7 GLN NE2 . 17249 1 62 . 1 1 8 8 PRO HA H 1 4.94 0.02 . 1 . . . . 8 PRO HA . 17249 1 63 . 1 1 8 8 PRO HB2 H 1 2.27 0.02 . 2 . . . . 8 PRO HB2 . 17249 1 64 . 1 1 8 8 PRO HB3 H 1 1.72 0.02 . 2 . . . . 8 PRO HB3 . 17249 1 65 . 1 1 8 8 PRO HD2 H 1 3.86 0.02 . 2 . . . . 8 PRO HD2 . 17249 1 66 . 1 1 8 8 PRO HD3 H 1 3.58 0.02 . 2 . . . . 8 PRO HD3 . 17249 1 67 . 1 1 8 8 PRO HG2 H 1 2.07 0.02 . 2 . . . . 8 PRO HG2 . 17249 1 68 . 1 1 8 8 PRO HG3 H 1 1.90 0.02 . 2 . . . . 8 PRO HG3 . 17249 1 69 . 1 1 8 8 PRO C C 13 177.3 0.3 . 1 . . . . 8 PRO C . 17249 1 70 . 1 1 8 8 PRO CA C 13 62.9 0.3 . 1 . . . . 8 PRO CA . 17249 1 71 . 1 1 8 8 PRO CB C 13 32.7 0.3 . 1 . . . . 8 PRO CB . 17249 1 72 . 1 1 8 8 PRO CD C 13 50.6 0.3 . 1 . . . . 8 PRO CD . 17249 1 73 . 1 1 8 8 PRO CG C 13 27.4 0.3 . 1 . . . . 8 PRO CG . 17249 1 74 . 1 1 9 9 ILE H H 1 9.00 0.02 . 1 . . . . 9 ILE H . 17249 1 75 . 1 1 9 9 ILE HA H 1 4.24 0.02 . 1 . . . . 9 ILE HA . 17249 1 76 . 1 1 9 9 ILE HB H 1 1.82 0.02 . 1 . . . . 9 ILE HB . 17249 1 77 . 1 1 9 9 ILE HD11 H 1 0.93 0.02 . 1 . . . . 9 ILE HD1 . 17249 1 78 . 1 1 9 9 ILE HD12 H 1 0.93 0.02 . 1 . . . . 9 ILE HD1 . 17249 1 79 . 1 1 9 9 ILE HD13 H 1 0.93 0.02 . 1 . . . . 9 ILE HD1 . 17249 1 80 . 1 1 9 9 ILE HG12 H 1 1.79 0.02 . 2 . . . . 9 ILE HG12 . 17249 1 81 . 1 1 9 9 ILE HG13 H 1 1.07 0.02 . 2 . . . . 9 ILE HG13 . 17249 1 82 . 1 1 9 9 ILE HG21 H 1 0.88 0.02 . 1 . . . . 9 ILE HG2 . 17249 1 83 . 1 1 9 9 ILE HG22 H 1 0.88 0.02 . 1 . . . . 9 ILE HG2 . 17249 1 84 . 1 1 9 9 ILE HG23 H 1 0.88 0.02 . 1 . . . . 9 ILE HG2 . 17249 1 85 . 1 1 9 9 ILE C C 13 174.5 0.3 . 1 . . . . 9 ILE C . 17249 1 86 . 1 1 9 9 ILE CA C 13 61.4 0.3 . 1 . . . . 9 ILE CA . 17249 1 87 . 1 1 9 9 ILE CB C 13 39.7 0.3 . 1 . . . . 9 ILE CB . 17249 1 88 . 1 1 9 9 ILE CD1 C 13 14.9 0.3 . 1 . . . . 9 ILE CD1 . 17249 1 89 . 1 1 9 9 ILE CG1 C 13 27.1 0.3 . 1 . . . . 9 ILE CG1 . 17249 1 90 . 1 1 9 9 ILE CG2 C 13 18.2 0.3 . 1 . . . . 9 ILE CG2 . 17249 1 91 . 1 1 9 9 ILE N N 15 125.4 0.3 . 1 . . . . 9 ILE N . 17249 1 92 . 1 1 10 10 VAL H H 1 8.54 0.02 . 1 . . . . 10 VAL H . 17249 1 93 . 1 1 10 10 VAL HA H 1 4.57 0.02 . 1 . . . . 10 VAL HA . 17249 1 94 . 1 1 10 10 VAL HB H 1 1.98 0.02 . 1 . . . . 10 VAL HB . 17249 1 95 . 1 1 10 10 VAL HG11 H 1 1.03 0.02 . 1 . . . . 10 VAL HG1 . 17249 1 96 . 1 1 10 10 VAL HG12 H 1 1.03 0.02 . 1 . . . . 10 VAL HG1 . 17249 1 97 . 1 1 10 10 VAL HG13 H 1 1.03 0.02 . 1 . . . . 10 VAL HG1 . 17249 1 98 . 1 1 10 10 VAL HG21 H 1 0.87 0.02 . 1 . . . . 10 VAL HG2 . 17249 1 99 . 1 1 10 10 VAL HG22 H 1 0.87 0.02 . 1 . . . . 10 VAL HG2 . 17249 1 100 . 1 1 10 10 VAL HG23 H 1 0.87 0.02 . 1 . . . . 10 VAL HG2 . 17249 1 101 . 1 1 10 10 VAL C C 13 177.0 0.3 . 1 . . . . 10 VAL C . 17249 1 102 . 1 1 10 10 VAL CA C 13 61.4 0.3 . 1 . . . . 10 VAL CA . 17249 1 103 . 1 1 10 10 VAL CB C 13 34.0 0.3 . 1 . . . . 10 VAL CB . 17249 1 104 . 1 1 10 10 VAL CG1 C 13 21.5 0.3 . 1 . . . . 10 VAL CG1 . 17249 1 105 . 1 1 10 10 VAL CG2 C 13 20.7 0.3 . 1 . . . . 10 VAL CG2 . 17249 1 106 . 1 1 10 10 VAL N N 15 128.3 0.3 . 1 . . . . 10 VAL N . 17249 1 107 . 1 1 11 11 GLY H H 1 8.77 0.02 . 1 . . . . 11 GLY H . 17249 1 108 . 1 1 11 11 GLY HA2 H 1 4.25 0.02 . 2 . . . . 11 GLY HA2 . 17249 1 109 . 1 1 11 11 GLY HA3 H 1 3.77 0.02 . 2 . . . . 11 GLY HA3 . 17249 1 110 . 1 1 11 11 GLY C C 13 172.5 0.3 . 1 . . . . 11 GLY C . 17249 1 111 . 1 1 11 11 GLY CA C 13 44.3 0.3 . 1 . . . . 11 GLY CA . 17249 1 112 . 1 1 11 11 GLY N N 15 114.1 0.3 . 1 . . . . 11 GLY N . 17249 1 113 . 1 1 12 12 SER H H 1 9.52 0.02 . 1 . . . . 12 SER H . 17249 1 114 . 1 1 12 12 SER HA H 1 5.00 0.02 . 1 . . . . 12 SER HA . 17249 1 115 . 1 1 12 12 SER HB2 H 1 4.26 0.02 . 2 . . . . 12 SER HB2 . 17249 1 116 . 1 1 12 12 SER HB3 H 1 3.92 0.02 . 2 . . . . 12 SER HB3 . 17249 1 117 . 1 1 12 12 SER C C 13 176.0 0.3 . 1 . . . . 12 SER C . 17249 1 118 . 1 1 12 12 SER CA C 13 57.1 0.3 . 1 . . . . 12 SER CA . 17249 1 119 . 1 1 12 12 SER CB C 13 67.7 0.3 . 1 . . . . 12 SER CB . 17249 1 120 . 1 1 12 12 SER N N 15 118.7 0.3 . 1 . . . . 12 SER N . 17249 1 121 . 1 1 13 13 ASP H H 1 9.05 0.02 . 1 . . . . 13 ASP H . 17249 1 122 . 1 1 13 13 ASP HA H 1 4.41 0.02 . 1 . . . . 13 ASP HA . 17249 1 123 . 1 1 13 13 ASP HB2 H 1 2.82 0.02 . 2 . . . . 13 ASP HB2 . 17249 1 124 . 1 1 13 13 ASP HB3 H 1 2.57 0.02 . 2 . . . . 13 ASP HB3 . 17249 1 125 . 1 1 13 13 ASP CA C 13 56.3 0.3 . 1 . . . . 13 ASP CA . 17249 1 126 . 1 1 13 13 ASP CB C 13 40.2 0.3 . 1 . . . . 13 ASP CB . 17249 1 127 . 1 1 13 13 ASP N N 15 122.9 0.3 . 1 . . . . 13 ASP N . 17249 1 128 . 1 1 14 14 LEU H H 1 7.93 0.02 . 1 . . . . 14 LEU H . 17249 1 129 . 1 1 14 14 LEU HA H 1 4.45 0.02 . 1 . . . . 14 LEU HA . 17249 1 130 . 1 1 14 14 LEU HB2 H 1 1.64 0.02 . 2 . . . . 14 LEU HB2 . 17249 1 131 . 1 1 14 14 LEU HB3 H 1 1.61 0.02 . 2 . . . . 14 LEU HB3 . 17249 1 132 . 1 1 14 14 LEU HD11 H 1 0.91 0.02 . 1 . . . . 14 LEU HD1 . 17249 1 133 . 1 1 14 14 LEU HD12 H 1 0.91 0.02 . 1 . . . . 14 LEU HD1 . 17249 1 134 . 1 1 14 14 LEU HD13 H 1 0.91 0.02 . 1 . . . . 14 LEU HD1 . 17249 1 135 . 1 1 14 14 LEU HD21 H 1 0.82 0.02 . 1 . . . . 14 LEU HD2 . 17249 1 136 . 1 1 14 14 LEU HD22 H 1 0.82 0.02 . 1 . . . . 14 LEU HD2 . 17249 1 137 . 1 1 14 14 LEU HD23 H 1 0.82 0.02 . 1 . . . . 14 LEU HD2 . 17249 1 138 . 1 1 14 14 LEU HG H 1 1.63 0.02 . 1 . . . . 14 LEU HG . 17249 1 139 . 1 1 14 14 LEU C C 13 176.2 0.3 . 1 . . . . 14 LEU C . 17249 1 140 . 1 1 14 14 LEU CA C 13 53.4 0.3 . 1 . . . . 14 LEU CA . 17249 1 141 . 1 1 14 14 LEU CB C 13 42.3 0.3 . 1 . . . . 14 LEU CB . 17249 1 142 . 1 1 14 14 LEU CD1 C 13 25.2 0.3 . 1 . . . . 14 LEU CD1 . 17249 1 143 . 1 1 14 14 LEU CD2 C 13 22.4 0.3 . 1 . . . . 14 LEU CD2 . 17249 1 144 . 1 1 14 14 LEU CG C 13 27.3 0.3 . 1 . . . . 14 LEU CG . 17249 1 145 . 1 1 14 14 LEU N N 15 118.0 0.3 . 1 . . . . 14 LEU N . 17249 1 146 . 1 1 15 15 ASP H H 1 8.34 0.02 . 1 . . . . 15 ASP H . 17249 1 147 . 1 1 15 15 ASP HA H 1 4.07 0.02 . 1 . . . . 15 ASP HA . 17249 1 148 . 1 1 15 15 ASP HB2 H 1 2.84 0.02 . 2 . . . . 15 ASP HB2 . 17249 1 149 . 1 1 15 15 ASP HB3 H 1 2.76 0.02 . 2 . . . . 15 ASP HB3 . 17249 1 150 . 1 1 15 15 ASP C C 13 174.8 0.3 . 1 . . . . 15 ASP C . 17249 1 151 . 1 1 15 15 ASP CA C 13 55.3 0.3 . 1 . . . . 15 ASP CA . 17249 1 152 . 1 1 15 15 ASP CB C 13 39.5 0.3 . 1 . . . . 15 ASP CB . 17249 1 153 . 1 1 15 15 ASP N N 15 125.3 0.3 . 1 . . . . 15 ASP N . 17249 1 154 . 1 1 16 16 ASP H H 1 9.62 0.02 . 1 . . . . 16 ASP H . 17249 1 155 . 1 1 16 16 ASP HA H 1 5.13 0.02 . 1 . . . . 16 ASP HA . 17249 1 156 . 1 1 16 16 ASP HB2 H 1 2.69 0.02 . 2 . . . . 16 ASP HB2 . 17249 1 157 . 1 1 16 16 ASP HB3 H 1 2.60 0.02 . 2 . . . . 16 ASP HB3 . 17249 1 158 . 1 1 16 16 ASP C C 13 175.9 0.3 . 1 . . . . 16 ASP C . 17249 1 159 . 1 1 16 16 ASP CA C 13 54.0 0.3 . 1 . . . . 16 ASP CA . 17249 1 160 . 1 1 16 16 ASP CB C 13 45.7 0.3 . 1 . . . . 16 ASP CB . 17249 1 161 . 1 1 16 16 ASP N N 15 125.7 0.3 . 1 . . . . 16 ASP N . 17249 1 162 . 1 1 17 17 GLN H H 1 8.94 0.02 . 1 . . . . 17 GLN H . 17249 1 163 . 1 1 17 17 GLN HA H 1 5.13 0.02 . 1 . . . . 17 GLN HA . 17249 1 164 . 1 1 17 17 GLN HB2 H 1 2.30 0.02 . 2 . . . . 17 GLN HB2 . 17249 1 165 . 1 1 17 17 GLN HB3 H 1 1.93 0.02 . 2 . . . . 17 GLN HB3 . 17249 1 166 . 1 1 17 17 GLN HE21 H 1 7.02 0.02 . 1 . . . . 17 GLN HE21 . 17249 1 167 . 1 1 17 17 GLN HE22 H 1 7.60 0.02 . 1 . . . . 17 GLN HE22 . 17249 1 168 . 1 1 17 17 GLN HG2 H 1 2.56 0.02 . 2 . . . . 17 GLN HG2 . 17249 1 169 . 1 1 17 17 GLN HG3 H 1 2.28 0.02 . 2 . . . . 17 GLN HG3 . 17249 1 170 . 1 1 17 17 GLN C C 13 174.3 0.3 . 1 . . . . 17 GLN C . 17249 1 171 . 1 1 17 17 GLN CA C 13 55.8 0.3 . 1 . . . . 17 GLN CA . 17249 1 172 . 1 1 17 17 GLN CB C 13 29.3 0.3 . 1 . . . . 17 GLN CB . 17249 1 173 . 1 1 17 17 GLN CG C 13 33.9 0.3 . 1 . . . . 17 GLN CG . 17249 1 174 . 1 1 17 17 GLN N N 15 122.6 0.3 . 1 . . . . 17 GLN N . 17249 1 175 . 1 1 17 17 GLN NE2 N 15 112.4 0.3 . 1 . . . . 17 GLN NE2 . 17249 1 176 . 1 1 18 18 LEU H H 1 8.84 0.02 . 1 . . . . 18 LEU H . 17249 1 177 . 1 1 18 18 LEU HA H 1 4.81 0.02 . 1 . . . . 18 LEU HA . 17249 1 178 . 1 1 18 18 LEU HB2 H 1 1.70 0.02 . 2 . . . . 18 LEU HB2 . 17249 1 179 . 1 1 18 18 LEU HB3 H 1 1.12 0.02 . 2 . . . . 18 LEU HB3 . 17249 1 180 . 1 1 18 18 LEU HD11 H 1 0.81 0.02 . 1 . . . . 18 LEU HD1 . 17249 1 181 . 1 1 18 18 LEU HD12 H 1 0.81 0.02 . 1 . . . . 18 LEU HD1 . 17249 1 182 . 1 1 18 18 LEU HD13 H 1 0.81 0.02 . 1 . . . . 18 LEU HD1 . 17249 1 183 . 1 1 18 18 LEU HD21 H 1 0.74 0.02 . 1 . . . . 18 LEU HD2 . 17249 1 184 . 1 1 18 18 LEU HD22 H 1 0.74 0.02 . 1 . . . . 18 LEU HD2 . 17249 1 185 . 1 1 18 18 LEU HD23 H 1 0.74 0.02 . 1 . . . . 18 LEU HD2 . 17249 1 186 . 1 1 18 18 LEU HG H 1 1.46 0.02 . 1 . . . . 18 LEU HG . 17249 1 187 . 1 1 18 18 LEU C C 13 173.8 0.3 . 1 . . . . 18 LEU C . 17249 1 188 . 1 1 18 18 LEU CA C 13 53.4 0.3 . 1 . . . . 18 LEU CA . 17249 1 189 . 1 1 18 18 LEU CB C 13 43.3 0.3 . 1 . . . . 18 LEU CB . 17249 1 190 . 1 1 18 18 LEU CD1 C 13 23.1 0.3 . 1 . . . . 18 LEU CD1 . 17249 1 191 . 1 1 18 18 LEU CD2 C 13 26.9 0.3 . 1 . . . . 18 LEU CD2 . 17249 1 192 . 1 1 18 18 LEU CG C 13 26.5 0.3 . 1 . . . . 18 LEU CG . 17249 1 193 . 1 1 18 18 LEU N N 15 124.7 0.3 . 1 . . . . 18 LEU N . 17249 1 194 . 1 1 19 19 HIS H H 1 8.83 0.02 . 1 . . . . 19 HIS H . 17249 1 195 . 1 1 19 19 HIS HA H 1 5.01 0.02 . 1 . . . . 19 HIS HA . 17249 1 196 . 1 1 19 19 HIS HB2 H 1 3.30 0.02 . 2 . . . . 19 HIS HB2 . 17249 1 197 . 1 1 19 19 HIS HB3 H 1 3.16 0.02 . 2 . . . . 19 HIS HB3 . 17249 1 198 . 1 1 19 19 HIS HD2 H 1 6.97 0.02 . 1 . . . . 19 HIS HD2 . 17249 1 199 . 1 1 19 19 HIS HE1 H 1 6.94 0.02 . 1 . . . . 19 HIS HE1 . 17249 1 200 . 1 1 19 19 HIS C C 13 175.5 0.3 . 1 . . . . 19 HIS C . 17249 1 201 . 1 1 19 19 HIS CA C 13 56.7 0.3 . 1 . . . . 19 HIS CA . 17249 1 202 . 1 1 19 19 HIS CB C 13 33.3 0.3 . 1 . . . . 19 HIS CB . 17249 1 203 . 1 1 19 19 HIS CD2 C 13 117.9 0.3 . 1 . . . . 19 HIS CD2 . 17249 1 204 . 1 1 19 19 HIS CE1 C 13 138.7 0.3 . 1 . . . . 19 HIS CE1 . 17249 1 205 . 1 1 19 19 HIS N N 15 124.8 0.3 . 1 . . . . 19 HIS N . 17249 1 206 . 1 1 20 20 GLY H H 1 9.20 0.02 . 1 . . . . 20 GLY H . 17249 1 207 . 1 1 20 20 GLY HA2 H 1 4.28 0.02 . 2 . . . . 20 GLY HA2 . 17249 1 208 . 1 1 20 20 GLY HA3 H 1 3.93 0.02 . 2 . . . . 20 GLY HA3 . 17249 1 209 . 1 1 20 20 GLY C C 13 172.2 0.3 . 1 . . . . 20 GLY C . 17249 1 210 . 1 1 20 20 GLY CA C 13 43.5 0.3 . 1 . . . . 20 GLY CA . 17249 1 211 . 1 1 20 20 GLY N N 15 110.6 0.3 . 1 . . . . 20 GLY N . 17249 1 212 . 1 1 21 21 THR H H 1 10.53 0.02 . 1 . . . . 21 THR H . 17249 1 213 . 1 1 21 21 THR HA H 1 4.97 0.02 . 1 . . . . 21 THR HA . 17249 1 214 . 1 1 21 21 THR HB H 1 4.44 0.02 . 1 . . . . 21 THR HB . 17249 1 215 . 1 1 21 21 THR HG21 H 1 1.22 0.02 . 1 . . . . 21 THR HG2 . 17249 1 216 . 1 1 21 21 THR HG22 H 1 1.22 0.02 . 1 . . . . 21 THR HG2 . 17249 1 217 . 1 1 21 21 THR HG23 H 1 1.22 0.02 . 1 . . . . 21 THR HG2 . 17249 1 218 . 1 1 21 21 THR C C 13 176.4 0.3 . 1 . . . . 21 THR C . 17249 1 219 . 1 1 21 21 THR CA C 13 60.4 0.3 . 1 . . . . 21 THR CA . 17249 1 220 . 1 1 21 21 THR CB C 13 73.9 0.3 . 1 . . . . 21 THR CB . 17249 1 221 . 1 1 21 21 THR CG2 C 13 20.5 0.3 . 1 . . . . 21 THR CG2 . 17249 1 222 . 1 1 21 21 THR N N 15 113.2 0.3 . 1 . . . . 21 THR N . 17249 1 223 . 1 1 22 22 LEU H H 1 8.48 0.02 . 1 . . . . 22 LEU H . 17249 1 224 . 1 1 22 22 LEU HA H 1 4.18 0.02 . 1 . . . . 22 LEU HA . 17249 1 225 . 1 1 22 22 LEU HB2 H 1 1.88 0.02 . 2 . . . . 22 LEU HB2 . 17249 1 226 . 1 1 22 22 LEU HB3 H 1 1.60 0.02 . 2 . . . . 22 LEU HB3 . 17249 1 227 . 1 1 22 22 LEU HD11 H 1 0.94 0.02 . 1 . . . . 22 LEU HD1 . 17249 1 228 . 1 1 22 22 LEU HD12 H 1 0.94 0.02 . 1 . . . . 22 LEU HD1 . 17249 1 229 . 1 1 22 22 LEU HD13 H 1 0.94 0.02 . 1 . . . . 22 LEU HD1 . 17249 1 230 . 1 1 22 22 LEU HD21 H 1 0.90 0.02 . 1 . . . . 22 LEU HD2 . 17249 1 231 . 1 1 22 22 LEU HD22 H 1 0.90 0.02 . 1 . . . . 22 LEU HD2 . 17249 1 232 . 1 1 22 22 LEU HD23 H 1 0.90 0.02 . 1 . . . . 22 LEU HD2 . 17249 1 233 . 1 1 22 22 LEU HG H 1 1.65 0.02 . 1 . . . . 22 LEU HG . 17249 1 234 . 1 1 22 22 LEU C C 13 175.3 0.3 . 1 . . . . 22 LEU C . 17249 1 235 . 1 1 22 22 LEU CA C 13 57.5 0.3 . 1 . . . . 22 LEU CA . 17249 1 236 . 1 1 22 22 LEU CB C 13 41.4 0.3 . 1 . . . . 22 LEU CB . 17249 1 237 . 1 1 22 22 LEU CD1 C 13 24.7 0.3 . 1 . . . . 22 LEU CD1 . 17249 1 238 . 1 1 22 22 LEU CD2 C 13 24.9 0.3 . 1 . . . . 22 LEU CD2 . 17249 1 239 . 1 1 22 22 LEU CG C 13 27.4 0.3 . 1 . . . . 22 LEU CG . 17249 1 240 . 1 1 22 22 LEU N N 15 121.9 0.3 . 1 . . . . 22 LEU N . 17249 1 241 . 1 1 23 23 LEU H H 1 7.78 0.02 . 1 . . . . 23 LEU H . 17249 1 242 . 1 1 23 23 LEU HA H 1 4.43 0.02 . 1 . . . . 23 LEU HA . 17249 1 243 . 1 1 23 23 LEU HB2 H 1 1.62 0.02 . 2 . . . . 23 LEU HB2 . 17249 1 244 . 1 1 23 23 LEU HB3 H 1 1.40 0.02 . 2 . . . . 23 LEU HB3 . 17249 1 245 . 1 1 23 23 LEU HD11 H 1 0.90 0.02 . 1 . . . . 23 LEU HD1 . 17249 1 246 . 1 1 23 23 LEU HD12 H 1 0.90 0.02 . 1 . . . . 23 LEU HD1 . 17249 1 247 . 1 1 23 23 LEU HD13 H 1 0.90 0.02 . 1 . . . . 23 LEU HD1 . 17249 1 248 . 1 1 23 23 LEU HD21 H 1 0.83 0.02 . 1 . . . . 23 LEU HD2 . 17249 1 249 . 1 1 23 23 LEU HD22 H 1 0.83 0.02 . 1 . . . . 23 LEU HD2 . 17249 1 250 . 1 1 23 23 LEU HD23 H 1 0.83 0.02 . 1 . . . . 23 LEU HD2 . 17249 1 251 . 1 1 23 23 LEU HG H 1 1.63 0.02 . 1 . . . . 23 LEU HG . 17249 1 252 . 1 1 23 23 LEU C C 13 179.1 0.3 . 1 . . . . 23 LEU C . 17249 1 253 . 1 1 23 23 LEU CA C 13 53.1 0.3 . 1 . . . . 23 LEU CA . 17249 1 254 . 1 1 23 23 LEU CB C 13 43.6 0.3 . 1 . . . . 23 LEU CB . 17249 1 255 . 1 1 23 23 LEU CD1 C 13 25.3 0.3 . 1 . . . . 23 LEU CD1 . 17249 1 256 . 1 1 23 23 LEU CD2 C 13 22.3 0.3 . 1 . . . . 23 LEU CD2 . 17249 1 257 . 1 1 23 23 LEU CG C 13 27.4 0.3 . 1 . . . . 23 LEU CG . 17249 1 258 . 1 1 23 23 LEU N N 15 118.1 0.3 . 1 . . . . 23 LEU N . 17249 1 259 . 1 1 24 24 GLY H H 1 9.09 0.02 . 1 . . . . 24 GLY H . 17249 1 260 . 1 1 24 24 GLY HA2 H 1 3.85 0.02 . 2 . . . . 24 GLY HA2 . 17249 1 261 . 1 1 24 24 GLY HA3 H 1 3.32 0.02 . 2 . . . . 24 GLY HA3 . 17249 1 262 . 1 1 24 24 GLY C C 13 172.5 0.3 . 1 . . . . 24 GLY C . 17249 1 263 . 1 1 24 24 GLY CA C 13 46.2 0.3 . 1 . . . . 24 GLY CA . 17249 1 264 . 1 1 24 24 GLY N N 15 114.1 0.3 . 1 . . . . 24 GLY N . 17249 1 265 . 1 1 25 25 GLU H H 1 9.37 0.02 . 1 . . . . 25 GLU H . 17249 1 266 . 1 1 25 25 GLU HA H 1 4.99 0.02 . 1 . . . . 25 GLU HA . 17249 1 267 . 1 1 25 25 GLU HB2 H 1 2.19 0.02 . 2 . . . . 25 GLU HB2 . 17249 1 268 . 1 1 25 25 GLU HB3 H 1 2.15 0.02 . 2 . . . . 25 GLU HB3 . 17249 1 269 . 1 1 25 25 GLU HG2 H 1 2.24 0.02 . 1 . . . . 25 GLU HG2 . 17249 1 270 . 1 1 25 25 GLU C C 13 174.5 0.3 . 1 . . . . 25 GLU C . 17249 1 271 . 1 1 25 25 GLU CA C 13 54.6 0.3 . 1 . . . . 25 GLU CA . 17249 1 272 . 1 1 25 25 GLU CB C 13 32.6 0.3 . 1 . . . . 25 GLU CB . 17249 1 273 . 1 1 25 25 GLU CG C 13 33.4 0.3 . 1 . . . . 25 GLU CG . 17249 1 274 . 1 1 25 25 GLU N N 15 124.4 0.3 . 1 . . . . 25 GLU N . 17249 1 275 . 1 1 26 26 GLU H H 1 8.37 0.02 . 1 . . . . 26 GLU H . 17249 1 276 . 1 1 26 26 GLU HA H 1 5.15 0.02 . 1 . . . . 26 GLU HA . 17249 1 277 . 1 1 26 26 GLU HB2 H 1 2.04 0.02 . 2 . . . . 26 GLU HB2 . 17249 1 278 . 1 1 26 26 GLU HB3 H 1 1.98 0.02 . 2 . . . . 26 GLU HB3 . 17249 1 279 . 1 1 26 26 GLU HG2 H 1 2.17 0.02 . 1 . . . . 26 GLU HG2 . 17249 1 280 . 1 1 26 26 GLU C C 13 175.6 0.3 . 1 . . . . 26 GLU C . 17249 1 281 . 1 1 26 26 GLU CA C 13 55.3 0.3 . 1 . . . . 26 GLU CA . 17249 1 282 . 1 1 26 26 GLU CB C 13 30.5 0.3 . 1 . . . . 26 GLU CB . 17249 1 283 . 1 1 26 26 GLU CG C 13 34.6 0.3 . 1 . . . . 26 GLU CG . 17249 1 284 . 1 1 26 26 GLU N N 15 122.0 0.3 . 1 . . . . 26 GLU N . 17249 1 285 . 1 1 27 27 ILE H H 1 9.14 0.02 . 1 . . . . 27 ILE H . 17249 1 286 . 1 1 27 27 ILE HA H 1 5.06 0.02 . 1 . . . . 27 ILE HA . 17249 1 287 . 1 1 27 27 ILE HB H 1 1.65 0.02 . 1 . . . . 27 ILE HB . 17249 1 288 . 1 1 27 27 ILE HD11 H 1 0.76 0.02 . 1 . . . . 27 ILE HD1 . 17249 1 289 . 1 1 27 27 ILE HD12 H 1 0.76 0.02 . 1 . . . . 27 ILE HD1 . 17249 1 290 . 1 1 27 27 ILE HD13 H 1 0.76 0.02 . 1 . . . . 27 ILE HD1 . 17249 1 291 . 1 1 27 27 ILE HG12 H 1 1.69 0.02 . 2 . . . . 27 ILE HG12 . 17249 1 292 . 1 1 27 27 ILE HG13 H 1 0.90 0.02 . 2 . . . . 27 ILE HG13 . 17249 1 293 . 1 1 27 27 ILE HG21 H 1 0.68 0.02 . 1 . . . . 27 ILE HG2 . 17249 1 294 . 1 1 27 27 ILE HG22 H 1 0.68 0.02 . 1 . . . . 27 ILE HG2 . 17249 1 295 . 1 1 27 27 ILE HG23 H 1 0.68 0.02 . 1 . . . . 27 ILE HG2 . 17249 1 296 . 1 1 27 27 ILE C C 13 174.6 0.3 . 1 . . . . 27 ILE C . 17249 1 297 . 1 1 27 27 ILE CA C 13 60.7 0.3 . 1 . . . . 27 ILE CA . 17249 1 298 . 1 1 27 27 ILE CB C 13 40.5 0.3 . 1 . . . . 27 ILE CB . 17249 1 299 . 1 1 27 27 ILE CD1 C 13 14.1 0.3 . 1 . . . . 27 ILE CD1 . 17249 1 300 . 1 1 27 27 ILE CG1 C 13 27.2 0.3 . 1 . . . . 27 ILE CG1 . 17249 1 301 . 1 1 27 27 ILE CG2 C 13 18.9 0.3 . 1 . . . . 27 ILE CG2 . 17249 1 302 . 1 1 27 27 ILE N N 15 125.7 0.3 . 1 . . . . 27 ILE N . 17249 1 303 . 1 1 28 28 SER H H 1 8.62 0.02 . 1 . . . . 28 SER H . 17249 1 304 . 1 1 28 28 SER HA H 1 5.70 0.02 . 1 . . . . 28 SER HA . 17249 1 305 . 1 1 28 28 SER HB2 H 1 3.96 0.02 . 2 . . . . 28 SER HB2 . 17249 1 306 . 1 1 28 28 SER HB3 H 1 3.73 0.02 . 2 . . . . 28 SER HB3 . 17249 1 307 . 1 1 28 28 SER C C 13 174.9 0.3 . 1 . . . . 28 SER C . 17249 1 308 . 1 1 28 28 SER CA C 13 55.4 0.3 . 1 . . . . 28 SER CA . 17249 1 309 . 1 1 28 28 SER CB C 13 64.7 0.3 . 1 . . . . 28 SER CB . 17249 1 310 . 1 1 28 28 SER N N 15 122.3 0.3 . 1 . . . . 28 SER N . 17249 1 311 . 1 1 29 29 GLY H H 1 9.17 0.02 . 1 . . . . 29 GLY H . 17249 1 312 . 1 1 29 29 GLY HA2 H 1 3.75 0.02 . 1 . . . . 29 GLY HA2 . 17249 1 313 . 1 1 29 29 GLY C C 13 174.9 0.3 . 1 . . . . 29 GLY C . 17249 1 314 . 1 1 29 29 GLY CA C 13 47.1 0.3 . 1 . . . . 29 GLY CA . 17249 1 315 . 1 1 29 29 GLY N N 15 109.9 0.3 . 1 . . . . 29 GLY N . 17249 1 316 . 1 1 30 30 GLY H H 1 8.88 0.02 . 1 . . . . 30 GLY H . 17249 1 317 . 1 1 30 30 GLY HA2 H 1 3.97 0.02 . 1 . . . . 30 GLY HA2 . 17249 1 318 . 1 1 30 30 GLY C C 13 174.5 0.3 . 1 . . . . 30 GLY C . 17249 1 319 . 1 1 30 30 GLY CA C 13 45.1 0.3 . 1 . . . . 30 GLY CA . 17249 1 320 . 1 1 30 30 GLY N N 15 112.8 0.3 . 1 . . . . 30 GLY N . 17249 1 321 . 1 1 31 31 GLY H H 1 9.13 0.02 . 1 . . . . 31 GLY H . 17249 1 322 . 1 1 31 31 GLY HA2 H 1 3.98 0.02 . 1 . . . . 31 GLY HA2 . 17249 1 323 . 1 1 31 31 GLY C C 13 172.5 0.3 . 1 . . . . 31 GLY C . 17249 1 324 . 1 1 31 31 GLY CA C 13 45.7 0.3 . 1 . . . . 31 GLY CA . 17249 1 325 . 1 1 31 31 GLY N N 15 111.7 0.3 . 1 . . . . 31 GLY N . 17249 1 326 . 1 1 32 32 GLY H H 1 8.66 0.02 . 1 . . . . 32 GLY H . 17249 1 327 . 1 1 32 32 GLY HA2 H 1 4.00 0.02 . 2 . . . . 32 GLY HA2 . 17249 1 328 . 1 1 32 32 GLY HA3 H 1 3.76 0.02 . 2 . . . . 32 GLY HA3 . 17249 1 329 . 1 1 32 32 GLY C C 13 171.8 0.3 . 1 . . . . 32 GLY C . 17249 1 330 . 1 1 32 32 GLY CA C 13 43.7 0.3 . 1 . . . . 32 GLY CA . 17249 1 331 . 1 1 32 32 GLY N N 15 111.0 0.3 . 1 . . . . 32 GLY N . 17249 1 332 . 1 1 33 33 ALA H H 1 8.73 0.02 . 1 . . . . 33 ALA H . 17249 1 333 . 1 1 33 33 ALA HA H 1 4.35 0.02 . 1 . . . . 33 ALA HA . 17249 1 334 . 1 1 33 33 ALA HB1 H 1 1.38 0.02 . 1 . . . . 33 ALA HB . 17249 1 335 . 1 1 33 33 ALA HB2 H 1 1.38 0.02 . 1 . . . . 33 ALA HB . 17249 1 336 . 1 1 33 33 ALA HB3 H 1 1.38 0.02 . 1 . . . . 33 ALA HB . 17249 1 337 . 1 1 33 33 ALA C C 13 175.2 0.3 . 1 . . . . 33 ALA C . 17249 1 338 . 1 1 33 33 ALA CA C 13 51.8 0.3 . 1 . . . . 33 ALA CA . 17249 1 339 . 1 1 33 33 ALA CB C 13 18.2 0.3 . 1 . . . . 33 ALA CB . 17249 1 340 . 1 1 33 33 ALA N N 15 128.8 0.3 . 1 . . . . 33 ALA N . 17249 1 341 . 1 1 34 34 ASP H H 1 9.03 0.02 . 1 . . . . 34 ASP H . 17249 1 342 . 1 1 34 34 ASP HA H 1 5.62 0.02 . 1 . . . . 34 ASP HA . 17249 1 343 . 1 1 34 34 ASP HB2 H 1 2.54 0.02 . 2 . . . . 34 ASP HB2 . 17249 1 344 . 1 1 34 34 ASP HB3 H 1 2.64 0.02 . 2 . . . . 34 ASP HB3 . 17249 1 345 . 1 1 34 34 ASP C C 13 175.6 0.3 . 1 . . . . 34 ASP C . 17249 1 346 . 1 1 34 34 ASP CA C 13 53.7 0.3 . 1 . . . . 34 ASP CA . 17249 1 347 . 1 1 34 34 ASP CB C 13 45.7 0.3 . 1 . . . . 34 ASP CB . 17249 1 348 . 1 1 34 34 ASP N N 15 122.7 0.3 . 1 . . . . 34 ASP N . 17249 1 349 . 1 1 35 35 GLN H H 1 8.77 0.02 . 1 . . . . 35 GLN H . 17249 1 350 . 1 1 35 35 GLN HA H 1 5.15 0.02 . 1 . . . . 35 GLN HA . 17249 1 351 . 1 1 35 35 GLN HB2 H 1 1.96 0.02 . 2 . . . . 35 GLN HB2 . 17249 1 352 . 1 1 35 35 GLN HB3 H 1 1.95 0.02 . 2 . . . . 35 GLN HB3 . 17249 1 353 . 1 1 35 35 GLN HG2 H 1 2.16 0.02 . 2 . . . . 35 GLN HG2 . 17249 1 354 . 1 1 35 35 GLN HG3 H 1 2.51 0.02 . 2 . . . . 35 GLN HG3 . 17249 1 355 . 1 1 35 35 GLN C C 13 173.2 0.3 . 1 . . . . 35 GLN C . 17249 1 356 . 1 1 35 35 GLN CA C 13 55.0 0.3 . 1 . . . . 35 GLN CA . 17249 1 357 . 1 1 35 35 GLN CB C 13 31.7 0.3 . 1 . . . . 35 GLN CB . 17249 1 358 . 1 1 35 35 GLN CG C 13 34.3 0.3 . 1 . . . . 35 GLN CG . 17249 1 359 . 1 1 35 35 GLN N N 15 119.7 0.3 . 1 . . . . 35 GLN N . 17249 1 360 . 1 1 36 36 LEU H H 1 8.40 0.02 . 1 . . . . 36 LEU H . 17249 1 361 . 1 1 36 36 LEU HA H 1 4.89 0.02 . 1 . . . . 36 LEU HA . 17249 1 362 . 1 1 36 36 LEU HB2 H 1 1.51 0.02 . 2 . . . . 36 LEU HB2 . 17249 1 363 . 1 1 36 36 LEU HB3 H 1 1.40 0.02 . 2 . . . . 36 LEU HB3 . 17249 1 364 . 1 1 36 36 LEU HD11 H 1 0.74 0.02 . 1 . . . . 36 LEU HD1 . 17249 1 365 . 1 1 36 36 LEU HD12 H 1 0.74 0.02 . 1 . . . . 36 LEU HD1 . 17249 1 366 . 1 1 36 36 LEU HD13 H 1 0.74 0.02 . 1 . . . . 36 LEU HD1 . 17249 1 367 . 1 1 36 36 LEU HD21 H 1 0.64 0.02 . 1 . . . . 36 LEU HD2 . 17249 1 368 . 1 1 36 36 LEU HD22 H 1 0.64 0.02 . 1 . . . . 36 LEU HD2 . 17249 1 369 . 1 1 36 36 LEU HD23 H 1 0.64 0.02 . 1 . . . . 36 LEU HD2 . 17249 1 370 . 1 1 36 36 LEU HG H 1 1.68 0.02 . 1 . . . . 36 LEU HG . 17249 1 371 . 1 1 36 36 LEU C C 13 175.5 0.3 . 1 . . . . 36 LEU C . 17249 1 372 . 1 1 36 36 LEU CA C 13 55.2 0.3 . 1 . . . . 36 LEU CA . 17249 1 373 . 1 1 36 36 LEU CB C 13 44.9 0.3 . 1 . . . . 36 LEU CB . 17249 1 374 . 1 1 36 36 LEU CD1 C 13 25.7 0.3 . 1 . . . . 36 LEU CD1 . 17249 1 375 . 1 1 36 36 LEU CD2 C 13 27.5 0.3 . 1 . . . . 36 LEU CD2 . 17249 1 376 . 1 1 36 36 LEU CG C 13 30.9 0.3 . 1 . . . . 36 LEU CG . 17249 1 377 . 1 1 36 36 LEU N N 15 124.9 0.3 . 1 . . . . 36 LEU N . 17249 1 378 . 1 1 37 37 TYR H H 1 8.50 0.02 . 1 . . . . 37 TYR H . 17249 1 379 . 1 1 37 37 TYR HA H 1 4.91 0.02 . 1 . . . . 37 TYR HA . 17249 1 380 . 1 1 37 37 TYR HB2 H 1 2.65 0.02 . 2 . . . . 37 TYR HB2 . 17249 1 381 . 1 1 37 37 TYR HB3 H 1 2.18 0.02 . 2 . . . . 37 TYR HB3 . 17249 1 382 . 1 1 37 37 TYR HD1 H 1 6.53 0.02 . 1 . . . . 37 TYR HD1 . 17249 1 383 . 1 1 37 37 TYR HE1 H 1 6.85 0.02 . 1 . . . . 37 TYR HE1 . 17249 1 384 . 1 1 37 37 TYR C C 13 174.9 0.3 . 1 . . . . 37 TYR C . 17249 1 385 . 1 1 37 37 TYR CA C 13 55.4 0.3 . 1 . . . . 37 TYR CA . 17249 1 386 . 1 1 37 37 TYR CB C 13 40.7 0.3 . 1 . . . . 37 TYR CB . 17249 1 387 . 1 1 37 37 TYR CD1 C 13 131.2 0.3 . 1 . . . . 37 TYR CD1 . 17249 1 388 . 1 1 37 37 TYR CE1 C 13 118.3 0.3 . 1 . . . . 37 TYR CE1 . 17249 1 389 . 1 1 37 37 TYR N N 15 121.7 0.3 . 1 . . . . 37 TYR N . 17249 1 390 . 1 1 38 38 GLY H H 1 8.81 0.02 . 1 . . . . 38 GLY H . 17249 1 391 . 1 1 38 38 GLY HA2 H 1 3.80 0.02 . 2 . . . . 38 GLY HA2 . 17249 1 392 . 1 1 38 38 GLY HA3 H 1 3.68 0.02 . 2 . . . . 38 GLY HA3 . 17249 1 393 . 1 1 38 38 GLY C C 13 175.0 0.3 . 1 . . . . 38 GLY C . 17249 1 394 . 1 1 38 38 GLY CA C 13 46.9 0.3 . 1 . . . . 38 GLY CA . 17249 1 395 . 1 1 38 38 GLY N N 15 108.6 0.3 . 1 . . . . 38 GLY N . 17249 1 396 . 1 1 39 39 TYR H H 1 8.75 0.02 . 1 . . . . 39 TYR H . 17249 1 397 . 1 1 39 39 TYR HA H 1 4.41 0.02 . 1 . . . . 39 TYR HA . 17249 1 398 . 1 1 39 39 TYR HB2 H 1 3.22 0.02 . 2 . . . . 39 TYR HB2 . 17249 1 399 . 1 1 39 39 TYR HB3 H 1 2.96 0.02 . 2 . . . . 39 TYR HB3 . 17249 1 400 . 1 1 39 39 TYR HD1 H 1 6.84 0.02 . 1 . . . . 39 TYR HD1 . 17249 1 401 . 1 1 39 39 TYR C C 13 175.8 0.3 . 1 . . . . 39 TYR C . 17249 1 402 . 1 1 39 39 TYR CA C 13 59.1 0.3 . 1 . . . . 39 TYR CA . 17249 1 403 . 1 1 39 39 TYR CB C 13 35.1 0.3 . 1 . . . . 39 TYR CB . 17249 1 404 . 1 1 39 39 TYR CD1 C 13 133.5 0.3 . 1 . . . . 39 TYR CD1 . 17249 1 405 . 1 1 39 39 TYR N N 15 119.0 0.3 . 1 . . . . 39 TYR N . 17249 1 406 . 1 1 40 40 GLY H H 1 8.28 0.02 . 1 . . . . 40 GLY H . 17249 1 407 . 1 1 40 40 GLY HA2 H 1 3.97 0.02 . 1 . . . . 40 GLY HA2 . 17249 1 408 . 1 1 40 40 GLY C C 13 172.5 0.3 . 1 . . . . 40 GLY C . 17249 1 409 . 1 1 40 40 GLY CA C 13 46.1 0.3 . 1 . . . . 40 GLY CA . 17249 1 410 . 1 1 40 40 GLY N N 15 111.8 0.3 . 1 . . . . 40 GLY N . 17249 1 411 . 1 1 41 41 GLY H H 1 8.65 0.02 . 1 . . . . 41 GLY H . 17249 1 412 . 1 1 41 41 GLY HA2 H 1 3.83 0.02 . 1 . . . . 41 GLY HA2 . 17249 1 413 . 1 1 41 41 GLY C C 13 172.5 0.3 . 1 . . . . 41 GLY C . 17249 1 414 . 1 1 41 41 GLY CA C 13 43.2 0.3 . 1 . . . . 41 GLY CA . 17249 1 415 . 1 1 41 41 GLY N N 15 109.0 0.3 . 1 . . . . 41 GLY N . 17249 1 416 . 1 1 42 42 GLY H H 1 9.09 0.02 . 1 . . . . 42 GLY H . 17249 1 417 . 1 1 42 42 GLY HA2 H 1 3.69 0.02 . 2 . . . . 42 GLY HA2 . 17249 1 418 . 1 1 42 42 GLY HA3 H 1 3.27 0.02 . 2 . . . . 42 GLY HA3 . 17249 1 419 . 1 1 42 42 GLY C C 13 171.5 0.3 . 1 . . . . 42 GLY C . 17249 1 420 . 1 1 42 42 GLY CA C 13 47.2 0.3 . 1 . . . . 42 GLY CA . 17249 1 421 . 1 1 42 42 GLY N N 15 111.4 0.3 . 1 . . . . 42 GLY N . 17249 1 422 . 1 1 43 43 ASP H H 1 9.36 0.02 . 1 . . . . 43 ASP H . 17249 1 423 . 1 1 43 43 ASP HA H 1 5.08 0.02 . 1 . . . . 43 ASP HA . 17249 1 424 . 1 1 43 43 ASP HB2 H 1 2.81 0.02 . 2 . . . . 43 ASP HB2 . 17249 1 425 . 1 1 43 43 ASP HB3 H 1 2.50 0.02 . 2 . . . . 43 ASP HB3 . 17249 1 426 . 1 1 43 43 ASP C C 13 173.5 0.3 . 1 . . . . 43 ASP C . 17249 1 427 . 1 1 43 43 ASP CA C 13 54.4 0.3 . 1 . . . . 43 ASP CA . 17249 1 428 . 1 1 43 43 ASP CB C 13 44.0 0.3 . 1 . . . . 43 ASP CB . 17249 1 429 . 1 1 43 43 ASP N N 15 128.0 0.3 . 1 . . . . 43 ASP N . 17249 1 430 . 1 1 44 44 LEU H H 1 8.52 0.02 . 1 . . . . 44 LEU H . 17249 1 431 . 1 1 44 44 LEU HA H 1 5.04 0.02 . 1 . . . . 44 LEU HA . 17249 1 432 . 1 1 44 44 LEU HB2 H 1 1.62 0.02 . 2 . . . . 44 LEU HB2 . 17249 1 433 . 1 1 44 44 LEU HB3 H 1 1.53 0.02 . 2 . . . . 44 LEU HB3 . 17249 1 434 . 1 1 44 44 LEU HD11 H 1 0.79 0.02 . 1 . . . . 44 LEU HD1 . 17249 1 435 . 1 1 44 44 LEU HD12 H 1 0.79 0.02 . 1 . . . . 44 LEU HD1 . 17249 1 436 . 1 1 44 44 LEU HD13 H 1 0.79 0.02 . 1 . . . . 44 LEU HD1 . 17249 1 437 . 1 1 44 44 LEU HD21 H 1 0.73 0.02 . 1 . . . . 44 LEU HD2 . 17249 1 438 . 1 1 44 44 LEU HD22 H 1 0.73 0.02 . 1 . . . . 44 LEU HD2 . 17249 1 439 . 1 1 44 44 LEU HD23 H 1 0.73 0.02 . 1 . . . . 44 LEU HD2 . 17249 1 440 . 1 1 44 44 LEU HG H 1 1.42 0.02 . 1 . . . . 44 LEU HG . 17249 1 441 . 1 1 44 44 LEU C C 13 174.5 0.3 . 1 . . . . 44 LEU C . 17249 1 442 . 1 1 44 44 LEU CA C 13 54.3 0.3 . 1 . . . . 44 LEU CA . 17249 1 443 . 1 1 44 44 LEU CB C 13 44.1 0.3 . 1 . . . . 44 LEU CB . 17249 1 444 . 1 1 44 44 LEU CD1 C 13 25.2 0.3 . 1 . . . . 44 LEU CD1 . 17249 1 445 . 1 1 44 44 LEU CD2 C 13 24.9 0.3 . 1 . . . . 44 LEU CD2 . 17249 1 446 . 1 1 44 44 LEU CG C 13 28.4 0.3 . 1 . . . . 44 LEU CG . 17249 1 447 . 1 1 44 44 LEU N N 15 125.8 0.3 . 1 . . . . 44 LEU N . 17249 1 448 . 1 1 45 45 LEU H H 1 8.95 0.02 . 1 . . . . 45 LEU H . 17249 1 449 . 1 1 45 45 LEU HA H 1 5.04 0.02 . 1 . . . . 45 LEU HA . 17249 1 450 . 1 1 45 45 LEU HB2 H 1 1.53 0.02 . 2 . . . . 45 LEU HB2 . 17249 1 451 . 1 1 45 45 LEU HB3 H 1 1.44 0.02 . 2 . . . . 45 LEU HB3 . 17249 1 452 . 1 1 45 45 LEU HD11 H 1 0.68 0.02 . 1 . . . . 45 LEU HD1 . 17249 1 453 . 1 1 45 45 LEU HD12 H 1 0.68 0.02 . 1 . . . . 45 LEU HD1 . 17249 1 454 . 1 1 45 45 LEU HD13 H 1 0.68 0.02 . 1 . . . . 45 LEU HD1 . 17249 1 455 . 1 1 45 45 LEU HD21 H 1 0.57 0.02 . 1 . . . . 45 LEU HD2 . 17249 1 456 . 1 1 45 45 LEU HD22 H 1 0.57 0.02 . 1 . . . . 45 LEU HD2 . 17249 1 457 . 1 1 45 45 LEU HD23 H 1 0.57 0.02 . 1 . . . . 45 LEU HD2 . 17249 1 458 . 1 1 45 45 LEU HG H 1 1.42 0.02 . 1 . . . . 45 LEU HG . 17249 1 459 . 1 1 45 45 LEU C C 13 174.5 0.3 . 1 . . . . 45 LEU C . 17249 1 460 . 1 1 45 45 LEU CA C 13 55.0 0.3 . 1 . . . . 45 LEU CA . 17249 1 461 . 1 1 45 45 LEU CB C 13 44.3 0.3 . 1 . . . . 45 LEU CB . 17249 1 462 . 1 1 45 45 LEU CD1 C 13 28.1 0.3 . 1 . . . . 45 LEU CD1 . 17249 1 463 . 1 1 45 45 LEU CD2 C 13 26.8 0.3 . 1 . . . . 45 LEU CD2 . 17249 1 464 . 1 1 45 45 LEU CG C 13 30.1 0.3 . 1 . . . . 45 LEU CG . 17249 1 465 . 1 1 45 45 LEU N N 15 126.7 0.3 . 1 . . . . 45 LEU N . 17249 1 466 . 1 1 46 46 ASP H H 1 8.33 0.02 . 1 . . . . 46 ASP H . 17249 1 467 . 1 1 46 46 ASP HA H 1 5.08 0.02 . 1 . . . . 46 ASP HA . 17249 1 468 . 1 1 46 46 ASP HB2 H 1 2.84 0.02 . 2 . . . . 46 ASP HB2 . 17249 1 469 . 1 1 46 46 ASP HB3 H 1 2.19 0.02 . 2 . . . . 46 ASP HB3 . 17249 1 470 . 1 1 46 46 ASP C C 13 177.8 0.3 . 1 . . . . 46 ASP C . 17249 1 471 . 1 1 46 46 ASP CA C 13 52.2 0.3 . 1 . . . . 46 ASP CA . 17249 1 472 . 1 1 46 46 ASP CB C 13 43.1 0.3 . 1 . . . . 46 ASP CB . 17249 1 473 . 1 1 46 46 ASP N N 15 121.7 0.3 . 1 . . . . 46 ASP N . 17249 1 474 . 1 1 47 47 GLY H H 1 9.83 0.02 . 1 . . . . 47 GLY H . 17249 1 475 . 1 1 47 47 GLY HA2 H 1 3.85 0.02 . 2 . . . . 47 GLY HA2 . 17249 1 476 . 1 1 47 47 GLY HA3 H 1 3.53 0.02 . 2 . . . . 47 GLY HA3 . 17249 1 477 . 1 1 47 47 GLY C C 13 174.4 0.3 . 1 . . . . 47 GLY C . 17249 1 478 . 1 1 47 47 GLY CA C 13 47.1 0.3 . 1 . . . . 47 GLY CA . 17249 1 479 . 1 1 47 47 GLY N N 15 113.1 0.3 . 1 . . . . 47 GLY N . 17249 1 480 . 1 1 48 48 GLY H H 1 8.94 0.02 . 1 . . . . 48 GLY H . 17249 1 481 . 1 1 48 48 GLY HA2 H 1 4.12 0.02 . 2 . . . . 48 GLY HA2 . 17249 1 482 . 1 1 48 48 GLY HA3 H 1 3.82 0.02 . 2 . . . . 48 GLY HA3 . 17249 1 483 . 1 1 48 48 GLY C C 13 173.0 0.3 . 1 . . . . 48 GLY C . 17249 1 484 . 1 1 48 48 GLY CA C 13 45.2 0.3 . 1 . . . . 48 GLY CA . 17249 1 485 . 1 1 48 48 GLY N N 15 113.3 0.3 . 1 . . . . 48 GLY N . 17249 1 486 . 1 1 49 49 ALA H H 1 8.71 0.02 . 1 . . . . 49 ALA H . 17249 1 487 . 1 1 49 49 ALA HA H 1 4.37 0.02 . 1 . . . . 49 ALA HA . 17249 1 488 . 1 1 49 49 ALA HB1 H 1 1.47 0.02 . 1 . . . . 49 ALA HB . 17249 1 489 . 1 1 49 49 ALA HB2 H 1 1.47 0.02 . 1 . . . . 49 ALA HB . 17249 1 490 . 1 1 49 49 ALA HB3 H 1 1.47 0.02 . 1 . . . . 49 ALA HB . 17249 1 491 . 1 1 49 49 ALA C C 13 177.9 0.3 . 1 . . . . 49 ALA C . 17249 1 492 . 1 1 49 49 ALA CA C 13 52.5 0.3 . 1 . . . . 49 ALA CA . 17249 1 493 . 1 1 49 49 ALA CB C 13 19.8 0.3 . 1 . . . . 49 ALA CB . 17249 1 494 . 1 1 49 49 ALA N N 15 128.8 0.3 . 1 . . . . 49 ALA N . 17249 1 495 . 1 1 50 50 GLY H H 1 9.19 0.02 . 1 . . . . 50 GLY H . 17249 1 496 . 1 1 50 50 GLY HA2 H 1 4.14 0.02 . 2 . . . . 50 GLY HA2 . 17249 1 497 . 1 1 50 50 GLY HA3 H 1 3.75 0.02 . 2 . . . . 50 GLY HA3 . 17249 1 498 . 1 1 50 50 GLY C C 13 172.7 0.3 . 1 . . . . 50 GLY C . 17249 1 499 . 1 1 50 50 GLY CA C 13 44.1 0.3 . 1 . . . . 50 GLY CA . 17249 1 500 . 1 1 50 50 GLY N N 15 110.5 0.3 . 1 . . . . 50 GLY N . 17249 1 501 . 1 1 51 51 ARG H H 1 8.85 0.02 . 1 . . . . 51 ARG H . 17249 1 502 . 1 1 51 51 ARG HA H 1 4.50 0.02 . 1 . . . . 51 ARG HA . 17249 1 503 . 1 1 51 51 ARG HB2 H 1 2.07 0.02 . 2 . . . . 51 ARG HB2 . 17249 1 504 . 1 1 51 51 ARG HB3 H 1 1.66 0.02 . 2 . . . . 51 ARG HB3 . 17249 1 505 . 1 1 51 51 ARG HD2 H 1 3.17 0.02 . 2 . . . . 51 ARG HD2 . 17249 1 506 . 1 1 51 51 ARG HD3 H 1 3.05 0.02 . 2 . . . . 51 ARG HD3 . 17249 1 507 . 1 1 51 51 ARG HG2 H 1 1.68 0.02 . 2 . . . . 51 ARG HG2 . 17249 1 508 . 1 1 51 51 ARG HG3 H 1 1.35 0.02 . 2 . . . . 51 ARG HG3 . 17249 1 509 . 1 1 51 51 ARG C C 13 174.2 0.3 . 1 . . . . 51 ARG C . 17249 1 510 . 1 1 51 51 ARG CA C 13 56.0 0.3 . 1 . . . . 51 ARG CA . 17249 1 511 . 1 1 51 51 ARG CB C 13 31.0 0.3 . 1 . . . . 51 ARG CB . 17249 1 512 . 1 1 51 51 ARG CD C 13 44.2 0.3 . 1 . . . . 51 ARG CD . 17249 1 513 . 1 1 51 51 ARG CG C 13 27.0 0.3 . 1 . . . . 51 ARG CG . 17249 1 514 . 1 1 51 51 ARG N N 15 124.0 0.3 . 1 . . . . 51 ARG N . 17249 1 515 . 1 1 52 52 ASP H H 1 8.71 0.02 . 1 . . . . 52 ASP H . 17249 1 516 . 1 1 52 52 ASP HA H 1 5.68 0.02 . 1 . . . . 52 ASP HA . 17249 1 517 . 1 1 52 52 ASP HB2 H 1 2.56 0.02 . 2 . . . . 52 ASP HB2 . 17249 1 518 . 1 1 52 52 ASP HB3 H 1 2.43 0.02 . 2 . . . . 52 ASP HB3 . 17249 1 519 . 1 1 52 52 ASP C C 13 174.5 0.3 . 1 . . . . 52 ASP C . 17249 1 520 . 1 1 52 52 ASP CA C 13 53.3 0.3 . 1 . . . . 52 ASP CA . 17249 1 521 . 1 1 52 52 ASP CB C 13 45.9 0.3 . 1 . . . . 52 ASP CB . 17249 1 522 . 1 1 52 52 ASP N N 15 126.9 0.3 . 1 . . . . 52 ASP N . 17249 1 523 . 1 1 53 53 ARG H H 1 8.83 0.02 . 1 . . . . 53 ARG H . 17249 1 524 . 1 1 53 53 ARG HA H 1 5.14 0.02 . 1 . . . . 53 ARG HA . 17249 1 525 . 1 1 53 53 ARG HB2 H 1 1.90 0.02 . 2 . . . . 53 ARG HB2 . 17249 1 526 . 1 1 53 53 ARG HB3 H 1 1.53 0.02 . 2 . . . . 53 ARG HB3 . 17249 1 527 . 1 1 53 53 ARG HD2 H 1 3.33 0.02 . 2 . . . . 53 ARG HD2 . 17249 1 528 . 1 1 53 53 ARG HD3 H 1 2.95 0.02 . 2 . . . . 53 ARG HD3 . 17249 1 529 . 1 1 53 53 ARG HG2 H 1 1.75 0.02 . 2 . . . . 53 ARG HG2 . 17249 1 530 . 1 1 53 53 ARG HG3 H 1 1.44 0.02 . 2 . . . . 53 ARG HG3 . 17249 1 531 . 1 1 53 53 ARG C C 13 175.2 0.3 . 1 . . . . 53 ARG C . 17249 1 532 . 1 1 53 53 ARG CA C 13 55.5 0.3 . 1 . . . . 53 ARG CA . 17249 1 533 . 1 1 53 53 ARG CB C 13 33.6 0.3 . 1 . . . . 53 ARG CB . 17249 1 534 . 1 1 53 53 ARG CD C 13 43.7 0.3 . 1 . . . . 53 ARG CD . 17249 1 535 . 1 1 53 53 ARG CG C 13 28.6 0.3 . 1 . . . . 53 ARG CG . 17249 1 536 . 1 1 53 53 ARG N N 15 121.7 0.3 . 1 . . . . 53 ARG N . 17249 1 537 . 1 1 54 54 LEU H H 1 8.90 0.02 . 1 . . . . 54 LEU H . 17249 1 538 . 1 1 54 54 LEU HA H 1 4.74 0.02 . 1 . . . . 54 LEU HA . 17249 1 539 . 1 1 54 54 LEU HB2 H 1 1.58 0.02 . 2 . . . . 54 LEU HB2 . 17249 1 540 . 1 1 54 54 LEU HB3 H 1 1.99 0.02 . 2 . . . . 54 LEU HB3 . 17249 1 541 . 1 1 54 54 LEU HD11 H 1 1.06 0.02 . 1 . . . . 54 LEU HD1 . 17249 1 542 . 1 1 54 54 LEU HD12 H 1 1.06 0.02 . 1 . . . . 54 LEU HD1 . 17249 1 543 . 1 1 54 54 LEU HD13 H 1 1.06 0.02 . 1 . . . . 54 LEU HD1 . 17249 1 544 . 1 1 54 54 LEU HD21 H 1 0.90 0.02 . 1 . . . . 54 LEU HD2 . 17249 1 545 . 1 1 54 54 LEU HD22 H 1 0.90 0.02 . 1 . . . . 54 LEU HD2 . 17249 1 546 . 1 1 54 54 LEU HD23 H 1 0.90 0.02 . 1 . . . . 54 LEU HD2 . 17249 1 547 . 1 1 54 54 LEU HG H 1 1.60 0.02 . 1 . . . . 54 LEU HG . 17249 1 548 . 1 1 54 54 LEU C C 13 174.1 0.3 . 1 . . . . 54 LEU C . 17249 1 549 . 1 1 54 54 LEU CA C 13 54.7 0.3 . 1 . . . . 54 LEU CA . 17249 1 550 . 1 1 54 54 LEU CB C 13 45.3 0.3 . 1 . . . . 54 LEU CB . 17249 1 551 . 1 1 54 54 LEU CD1 C 13 26.4 0.3 . 1 . . . . 54 LEU CD1 . 17249 1 552 . 1 1 54 54 LEU CD2 C 13 27.0 0.3 . 1 . . . . 54 LEU CD2 . 17249 1 553 . 1 1 54 54 LEU CG C 13 27.9 0.3 . 1 . . . . 54 LEU CG . 17249 1 554 . 1 1 54 54 LEU N N 15 123.9 0.3 . 1 . . . . 54 LEU N . 17249 1 555 . 1 1 55 55 THR H H 1 8.28 0.02 . 1 . . . . 55 THR H . 17249 1 556 . 1 1 55 55 THR HA H 1 4.88 0.02 . 1 . . . . 55 THR HA . 17249 1 557 . 1 1 55 55 THR HB H 1 3.99 0.02 . 1 . . . . 55 THR HB . 17249 1 558 . 1 1 55 55 THR HG21 H 1 1.15 0.02 . 1 . . . . 55 THR HG2 . 17249 1 559 . 1 1 55 55 THR HG22 H 1 1.15 0.02 . 1 . . . . 55 THR HG2 . 17249 1 560 . 1 1 55 55 THR HG23 H 1 1.15 0.02 . 1 . . . . 55 THR HG2 . 17249 1 561 . 1 1 55 55 THR C C 13 175.7 0.3 . 1 . . . . 55 THR C . 17249 1 562 . 1 1 55 55 THR CA C 13 61.4 0.3 . 1 . . . . 55 THR CA . 17249 1 563 . 1 1 55 55 THR CB C 13 69.4 0.3 . 1 . . . . 55 THR CB . 17249 1 564 . 1 1 55 55 THR CG2 C 13 21.8 0.3 . 1 . . . . 55 THR CG2 . 17249 1 565 . 1 1 55 55 THR N N 15 122.0 0.3 . 1 . . . . 55 THR N . 17249 1 566 . 1 1 56 56 GLY H H 1 11.82 0.02 . 1 . . . . 56 GLY H . 17249 1 567 . 1 1 56 56 GLY HA2 H 1 4.04 0.02 . 2 . . . . 56 GLY HA2 . 17249 1 568 . 1 1 56 56 GLY HA3 H 1 3.58 0.02 . 2 . . . . 56 GLY HA3 . 17249 1 569 . 1 1 56 56 GLY C C 13 176.3 0.3 . 1 . . . . 56 GLY C . 17249 1 570 . 1 1 56 56 GLY CA C 13 47.4 0.3 . 1 . . . . 56 GLY CA . 17249 1 571 . 1 1 56 56 GLY N N 15 122.4 0.3 . 1 . . . . 56 GLY N . 17249 1 572 . 1 1 57 57 GLY H H 1 10.95 0.02 . 1 . . . . 57 GLY H . 17249 1 573 . 1 1 57 57 GLY HA2 H 1 4.20 0.02 . 2 . . . . 57 GLY HA2 . 17249 1 574 . 1 1 57 57 GLY HA3 H 1 3.79 0.02 . 2 . . . . 57 GLY HA3 . 17249 1 575 . 1 1 57 57 GLY C C 13 173.9 0.3 . 1 . . . . 57 GLY C . 17249 1 576 . 1 1 57 57 GLY CA C 13 44.1 0.3 . 1 . . . . 57 GLY CA . 17249 1 577 . 1 1 57 57 GLY N N 15 115.2 0.3 . 1 . . . . 57 GLY N . 17249 1 578 . 1 1 58 58 GLU H H 1 8.98 0.02 . 1 . . . . 58 GLU H . 17249 1 579 . 1 1 58 58 GLU HA H 1 4.28 0.02 . 1 . . . . 58 GLU HA . 17249 1 580 . 1 1 58 58 GLU HB2 H 1 2.15 0.02 . 2 . . . . 58 GLU HB2 . 17249 1 581 . 1 1 58 58 GLU HB3 H 1 1.91 0.02 . 2 . . . . 58 GLU HB3 . 17249 1 582 . 1 1 58 58 GLU HG2 H 1 2.49 0.02 . 2 . . . . 58 GLU HG2 . 17249 1 583 . 1 1 58 58 GLU HG3 H 1 2.31 0.02 . 2 . . . . 58 GLU HG3 . 17249 1 584 . 1 1 58 58 GLU C C 13 176.4 0.3 . 1 . . . . 58 GLU C . 17249 1 585 . 1 1 58 58 GLU CA C 13 57.6 0.3 . 1 . . . . 58 GLU CA . 17249 1 586 . 1 1 58 58 GLU CB C 13 30.6 0.3 . 1 . . . . 58 GLU CB . 17249 1 587 . 1 1 58 58 GLU CG C 13 36.9 0.3 . 1 . . . . 58 GLU CG . 17249 1 588 . 1 1 58 58 GLU N N 15 123.4 0.3 . 1 . . . . 58 GLU N . 17249 1 589 . 1 1 59 59 GLY H H 1 8.90 0.02 . 1 . . . . 59 GLY H . 17249 1 590 . 1 1 59 59 GLY HA2 H 1 3.91 0.02 . 2 . . . . 59 GLY HA2 . 17249 1 591 . 1 1 59 59 GLY HA3 H 1 3.60 0.02 . 2 . . . . 59 GLY HA3 . 17249 1 592 . 1 1 59 59 GLY C C 13 172.3 0.3 . 1 . . . . 59 GLY C . 17249 1 593 . 1 1 59 59 GLY CA C 13 43.5 0.3 . 1 . . . . 59 GLY CA . 17249 1 594 . 1 1 59 59 GLY N N 15 112.5 0.3 . 1 . . . . 59 GLY N . 17249 1 595 . 1 1 60 60 ALA H H 1 8.67 0.02 . 1 . . . . 60 ALA H . 17249 1 596 . 1 1 60 60 ALA HA H 1 4.14 0.02 . 1 . . . . 60 ALA HA . 17249 1 597 . 1 1 60 60 ALA HB1 H 1 1.29 0.02 . 1 . . . . 60 ALA HB . 17249 1 598 . 1 1 60 60 ALA HB2 H 1 1.29 0.02 . 1 . . . . 60 ALA HB . 17249 1 599 . 1 1 60 60 ALA HB3 H 1 1.29 0.02 . 1 . . . . 60 ALA HB . 17249 1 600 . 1 1 60 60 ALA C C 13 174.6 0.3 . 1 . . . . 60 ALA C . 17249 1 601 . 1 1 60 60 ALA CA C 13 51.9 0.3 . 1 . . . . 60 ALA CA . 17249 1 602 . 1 1 60 60 ALA CB C 13 17.6 0.3 . 1 . . . . 60 ALA CB . 17249 1 603 . 1 1 60 60 ALA N N 15 125.8 0.3 . 1 . . . . 60 ALA N . 17249 1 604 . 1 1 61 61 ASP H H 1 8.86 0.02 . 1 . . . . 61 ASP H . 17249 1 605 . 1 1 61 61 ASP HA H 1 5.21 0.02 . 1 . . . . 61 ASP HA . 17249 1 606 . 1 1 61 61 ASP HB2 H 1 2.06 0.02 . 2 . . . . 61 ASP HB2 . 17249 1 607 . 1 1 61 61 ASP HB3 H 1 1.85 0.02 . 2 . . . . 61 ASP HB3 . 17249 1 608 . 1 1 61 61 ASP C C 13 174.6 0.3 . 1 . . . . 61 ASP C . 17249 1 609 . 1 1 61 61 ASP CA C 13 54.2 0.3 . 1 . . . . 61 ASP CA . 17249 1 610 . 1 1 61 61 ASP CB C 13 43.6 0.3 . 1 . . . . 61 ASP CB . 17249 1 611 . 1 1 61 61 ASP N N 15 125.9 0.3 . 1 . . . . 61 ASP N . 17249 1 612 . 1 1 62 62 THR H H 1 8.89 0.02 . 1 . . . . 62 THR H . 17249 1 613 . 1 1 62 62 THR HA H 1 5.04 0.02 . 1 . . . . 62 THR HA . 17249 1 614 . 1 1 62 62 THR HB H 1 3.88 0.02 . 1 . . . . 62 THR HB . 17249 1 615 . 1 1 62 62 THR HG21 H 1 1.02 0.02 . 1 . . . . 62 THR HG2 . 17249 1 616 . 1 1 62 62 THR HG22 H 1 1.02 0.02 . 1 . . . . 62 THR HG2 . 17249 1 617 . 1 1 62 62 THR HG23 H 1 1.02 0.02 . 1 . . . . 62 THR HG2 . 17249 1 618 . 1 1 62 62 THR C C 13 172.4 0.3 . 1 . . . . 62 THR C . 17249 1 619 . 1 1 62 62 THR CA C 13 61.7 0.3 . 1 . . . . 62 THR CA . 17249 1 620 . 1 1 62 62 THR CB C 13 70.3 0.3 . 1 . . . . 62 THR CB . 17249 1 621 . 1 1 62 62 THR CG2 C 13 21.7 0.3 . 1 . . . . 62 THR CG2 . 17249 1 622 . 1 1 62 62 THR N N 15 118.3 0.3 . 1 . . . . 62 THR N . 17249 1 623 . 1 1 63 63 PHE H H 1 9.06 0.02 . 1 . . . . 63 PHE H . 17249 1 624 . 1 1 63 63 PHE HA H 1 4.97 0.02 . 1 . . . . 63 PHE HA . 17249 1 625 . 1 1 63 63 PHE HB2 H 1 3.30 0.02 . 2 . . . . 63 PHE HB2 . 17249 1 626 . 1 1 63 63 PHE HB3 H 1 2.77 0.02 . 2 . . . . 63 PHE HB3 . 17249 1 627 . 1 1 63 63 PHE HD1 H 1 7.34 0.02 . 1 . . . . 63 PHE HD1 . 17249 1 628 . 1 1 63 63 PHE HE1 H 1 7.29 0.02 . 1 . . . . 63 PHE HE1 . 17249 1 629 . 1 1 63 63 PHE C C 13 173.3 0.3 . 1 . . . . 63 PHE C . 17249 1 630 . 1 1 63 63 PHE CA C 13 56.4 0.3 . 1 . . . . 63 PHE CA . 17249 1 631 . 1 1 63 63 PHE CB C 13 39.4 0.3 . 1 . . . . 63 PHE CB . 17249 1 632 . 1 1 63 63 PHE CD1 C 13 132.2 0.3 . 1 . . . . 63 PHE CD1 . 17249 1 633 . 1 1 63 63 PHE CE1 C 13 132.1 0.3 . 1 . . . . 63 PHE CE1 . 17249 1 634 . 1 1 63 63 PHE N N 15 127.7 0.3 . 1 . . . . 63 PHE N . 17249 1 635 . 1 1 64 64 ARG H H 1 9.10 0.02 . 1 . . . . 64 ARG H . 17249 1 636 . 1 1 64 64 ARG HA H 1 4.88 0.02 . 1 . . . . 64 ARG HA . 17249 1 637 . 1 1 64 64 ARG HB2 H 1 1.61 0.02 . 2 . . . . 64 ARG HB2 . 17249 1 638 . 1 1 64 64 ARG HB3 H 1 1.76 0.02 . 2 . . . . 64 ARG HB3 . 17249 1 639 . 1 1 64 64 ARG HD2 H 1 3.13 0.02 . 2 . . . . 64 ARG HD2 . 17249 1 640 . 1 1 64 64 ARG HD3 H 1 2.92 0.02 . 2 . . . . 64 ARG HD3 . 17249 1 641 . 1 1 64 64 ARG HG2 H 1 1.52 0.02 . 1 . . . . 64 ARG HG2 . 17249 1 642 . 1 1 64 64 ARG C C 13 172.8 0.3 . 1 . . . . 64 ARG C . 17249 1 643 . 1 1 64 64 ARG CA C 13 55.6 0.3 . 1 . . . . 64 ARG CA . 17249 1 644 . 1 1 64 64 ARG CB C 13 34.3 0.3 . 1 . . . . 64 ARG CB . 17249 1 645 . 1 1 64 64 ARG CD C 13 43.1 0.3 . 1 . . . . 64 ARG CD . 17249 1 646 . 1 1 64 64 ARG CG C 13 26.3 0.3 . 1 . . . . 64 ARG CG . 17249 1 647 . 1 1 64 64 ARG N N 15 127.4 0.3 . 1 . . . . 64 ARG N . 17249 1 648 . 1 1 65 65 PHE H H 1 7.42 0.02 . 1 . . . . 65 PHE H . 17249 1 649 . 1 1 65 65 PHE HA H 1 4.90 0.02 . 1 . . . . 65 PHE HA . 17249 1 650 . 1 1 65 65 PHE HB2 H 1 2.97 0.02 . 2 . . . . 65 PHE HB2 . 17249 1 651 . 1 1 65 65 PHE HB3 H 1 2.87 0.02 . 2 . . . . 65 PHE HB3 . 17249 1 652 . 1 1 65 65 PHE HD1 H 1 7.43 0.02 . 1 . . . . 65 PHE HD1 . 17249 1 653 . 1 1 65 65 PHE HE1 H 1 7.38 0.02 . 1 . . . . 65 PHE HE1 . 17249 1 654 . 1 1 65 65 PHE C C 13 174.4 0.3 . 1 . . . . 65 PHE C . 17249 1 655 . 1 1 65 65 PHE CA C 13 56.4 0.3 . 1 . . . . 65 PHE CA . 17249 1 656 . 1 1 65 65 PHE CB C 13 42.3 0.3 . 1 . . . . 65 PHE CB . 17249 1 657 . 1 1 65 65 PHE CD1 C 13 132.0 0.3 . 1 . . . . 65 PHE CD1 . 17249 1 658 . 1 1 65 65 PHE CE1 C 13 130.6 0.3 . 1 . . . . 65 PHE CE1 . 17249 1 659 . 1 1 65 65 PHE N N 15 123.3 0.3 . 1 . . . . 65 PHE N . 17249 1 660 . 1 1 66 66 ALA H H 1 9.32 0.02 . 1 . . . . 66 ALA H . 17249 1 661 . 1 1 66 66 ALA HA H 1 4.06 0.02 . 1 . . . . 66 ALA HA . 17249 1 662 . 1 1 66 66 ALA HB1 H 1 1.52 0.02 . 1 . . . . 66 ALA HB . 17249 1 663 . 1 1 66 66 ALA HB2 H 1 1.52 0.02 . 1 . . . . 66 ALA HB . 17249 1 664 . 1 1 66 66 ALA HB3 H 1 1.52 0.02 . 1 . . . . 66 ALA HB . 17249 1 665 . 1 1 66 66 ALA C C 13 176.9 0.3 . 1 . . . . 66 ALA C . 17249 1 666 . 1 1 66 66 ALA CA C 13 54.7 0.3 . 1 . . . . 66 ALA CA . 17249 1 667 . 1 1 66 66 ALA CB C 13 20.3 0.3 . 1 . . . . 66 ALA CB . 17249 1 668 . 1 1 66 66 ALA N N 15 129.2 0.3 . 1 . . . . 66 ALA N . 17249 1 669 . 1 1 67 67 LEU H H 1 6.95 0.02 . 1 . . . . 67 LEU H . 17249 1 670 . 1 1 67 67 LEU HA H 1 4.49 0.02 . 1 . . . . 67 LEU HA . 17249 1 671 . 1 1 67 67 LEU HB2 H 1 1.54 0.02 . 2 . . . . 67 LEU HB2 . 17249 1 672 . 1 1 67 67 LEU HB3 H 1 1.48 0.02 . 2 . . . . 67 LEU HB3 . 17249 1 673 . 1 1 67 67 LEU HD11 H 1 0.94 0.02 . 1 . . . . 67 LEU HD1 . 17249 1 674 . 1 1 67 67 LEU HD12 H 1 0.94 0.02 . 1 . . . . 67 LEU HD1 . 17249 1 675 . 1 1 67 67 LEU HD13 H 1 0.94 0.02 . 1 . . . . 67 LEU HD1 . 17249 1 676 . 1 1 67 67 LEU HD21 H 1 0.87 0.02 . 1 . . . . 67 LEU HD2 . 17249 1 677 . 1 1 67 67 LEU HD22 H 1 0.87 0.02 . 1 . . . . 67 LEU HD2 . 17249 1 678 . 1 1 67 67 LEU HD23 H 1 0.87 0.02 . 1 . . . . 67 LEU HD2 . 17249 1 679 . 1 1 67 67 LEU HG H 1 1.63 0.02 . 1 . . . . 67 LEU HG . 17249 1 680 . 1 1 67 67 LEU C C 13 178.6 0.3 . 1 . . . . 67 LEU C . 17249 1 681 . 1 1 67 67 LEU CA C 13 53.3 0.3 . 1 . . . . 67 LEU CA . 17249 1 682 . 1 1 67 67 LEU CB C 13 45.9 0.3 . 1 . . . . 67 LEU CB . 17249 1 683 . 1 1 67 67 LEU CD1 C 13 25.1 0.3 . 1 . . . . 67 LEU CD1 . 17249 1 684 . 1 1 67 67 LEU CD2 C 13 25.1 0.3 . 1 . . . . 67 LEU CD2 . 17249 1 685 . 1 1 67 67 LEU CG C 13 27.3 0.3 . 1 . . . . 67 LEU CG . 17249 1 686 . 1 1 67 67 LEU N N 15 115.9 0.3 . 1 . . . . 67 LEU N . 17249 1 687 . 1 1 68 68 ARG H H 1 9.32 0.02 . 1 . . . . 68 ARG H . 17249 1 688 . 1 1 68 68 ARG HA H 1 4.08 0.02 . 1 . . . . 68 ARG HA . 17249 1 689 . 1 1 68 68 ARG HB2 H 1 1.97 0.02 . 2 . . . . 68 ARG HB2 . 17249 1 690 . 1 1 68 68 ARG HB3 H 1 1.90 0.02 . 2 . . . . 68 ARG HB3 . 17249 1 691 . 1 1 68 68 ARG HD2 H 1 3.14 0.02 . 2 . . . . 68 ARG HD2 . 17249 1 692 . 1 1 68 68 ARG HD3 H 1 3.04 0.02 . 2 . . . . 68 ARG HD3 . 17249 1 693 . 1 1 68 68 ARG HG2 H 1 1.93 0.02 . 2 . . . . 68 ARG HG2 . 17249 1 694 . 1 1 68 68 ARG HG3 H 1 1.30 0.02 . 2 . . . . 68 ARG HG3 . 17249 1 695 . 1 1 68 68 ARG C C 13 178.7 0.3 . 1 . . . . 68 ARG C . 17249 1 696 . 1 1 68 68 ARG CA C 13 60.6 0.3 . 1 . . . . 68 ARG CA . 17249 1 697 . 1 1 68 68 ARG CB C 13 30.4 0.3 . 1 . . . . 68 ARG CB . 17249 1 698 . 1 1 68 68 ARG CD C 13 43.8 0.3 . 1 . . . . 68 ARG CD . 17249 1 699 . 1 1 68 68 ARG CG C 13 30.6 0.3 . 1 . . . . 68 ARG CG . 17249 1 700 . 1 1 68 68 ARG N N 15 124.8 0.3 . 1 . . . . 68 ARG N . 17249 1 701 . 1 1 69 69 GLU H H 1 9.38 0.02 . 1 . . . . 69 GLU H . 17249 1 702 . 1 1 69 69 GLU HA H 1 4.02 0.02 . 1 . . . . 69 GLU HA . 17249 1 703 . 1 1 69 69 GLU HB2 H 1 2.10 0.02 . 2 . . . . 69 GLU HB2 . 17249 1 704 . 1 1 69 69 GLU HB3 H 1 1.92 0.02 . 2 . . . . 69 GLU HB3 . 17249 1 705 . 1 1 69 69 GLU HG2 H 1 2.19 0.02 . 1 . . . . 69 GLU HG2 . 17249 1 706 . 1 1 69 69 GLU C C 13 176.0 0.3 . 1 . . . . 69 GLU C . 17249 1 707 . 1 1 69 69 GLU CA C 13 57.4 0.3 . 1 . . . . 69 GLU CA . 17249 1 708 . 1 1 69 69 GLU CB C 13 28.0 0.3 . 1 . . . . 69 GLU CB . 17249 1 709 . 1 1 69 69 GLU CG C 13 36.2 0.3 . 1 . . . . 69 GLU CG . 17249 1 710 . 1 1 69 69 GLU N N 15 113.4 0.3 . 1 . . . . 69 GLU N . 17249 1 711 . 1 1 70 70 ASP H H 1 7.58 0.02 . 1 . . . . 70 ASP H . 17249 1 712 . 1 1 70 70 ASP HA H 1 4.63 0.02 . 1 . . . . 70 ASP HA . 17249 1 713 . 1 1 70 70 ASP HB2 H 1 3.17 0.02 . 2 . . . . 70 ASP HB2 . 17249 1 714 . 1 1 70 70 ASP HB3 H 1 3.04 0.02 . 2 . . . . 70 ASP HB3 . 17249 1 715 . 1 1 70 70 ASP C C 13 178.6 0.3 . 1 . . . . 70 ASP C . 17249 1 716 . 1 1 70 70 ASP CA C 13 56.2 0.3 . 1 . . . . 70 ASP CA . 17249 1 717 . 1 1 70 70 ASP CB C 13 39.8 0.3 . 1 . . . . 70 ASP CB . 17249 1 718 . 1 1 70 70 ASP N N 15 120.3 0.3 . 1 . . . . 70 ASP N . 17249 1 719 . 1 1 71 71 SER H H 1 7.42 0.02 . 1 . . . . 71 SER H . 17249 1 720 . 1 1 71 71 SER HA H 1 4.85 0.02 . 1 . . . . 71 SER HA . 17249 1 721 . 1 1 71 71 SER HB2 H 1 3.82 0.02 . 2 . . . . 71 SER HB2 . 17249 1 722 . 1 1 71 71 SER HB3 H 1 3.80 0.02 . 2 . . . . 71 SER HB3 . 17249 1 723 . 1 1 71 71 SER C C 13 171.3 0.3 . 1 . . . . 71 SER C . 17249 1 724 . 1 1 71 71 SER CA C 13 58.7 0.3 . 1 . . . . 71 SER CA . 17249 1 725 . 1 1 71 71 SER CB C 13 62.7 0.3 . 1 . . . . 71 SER CB . 17249 1 726 . 1 1 71 71 SER N N 15 120.1 0.3 . 1 . . . . 71 SER N . 17249 1 727 . 1 1 72 72 GLN H H 1 7.25 0.02 . 1 . . . . 72 GLN H . 17249 1 728 . 1 1 72 72 GLN HA H 1 5.60 0.02 . 1 . . . . 72 GLN HA . 17249 1 729 . 1 1 72 72 GLN HB2 H 1 2.29 0.02 . 2 . . . . 72 GLN HB2 . 17249 1 730 . 1 1 72 72 GLN HB3 H 1 2.08 0.02 . 2 . . . . 72 GLN HB3 . 17249 1 731 . 1 1 72 72 GLN HE21 H 1 6.51 0.02 . 1 . . . . 72 GLN HE21 . 17249 1 732 . 1 1 72 72 GLN HE22 H 1 7.56 0.02 . 1 . . . . 72 GLN HE22 . 17249 1 733 . 1 1 72 72 GLN HG2 H 1 2.28 0.02 . 2 . . . . 72 GLN HG2 . 17249 1 734 . 1 1 72 72 GLN HG3 H 1 2.33 0.02 . 2 . . . . 72 GLN HG3 . 17249 1 735 . 1 1 72 72 GLN C C 13 173.9 0.3 . 1 . . . . 72 GLN C . 17249 1 736 . 1 1 72 72 GLN CA C 13 54.5 0.3 . 1 . . . . 72 GLN CA . 17249 1 737 . 1 1 72 72 GLN CB C 13 32.1 0.3 . 1 . . . . 72 GLN CB . 17249 1 738 . 1 1 72 72 GLN CG C 13 32.4 0.3 . 1 . . . . 72 GLN CG . 17249 1 739 . 1 1 72 72 GLN N N 15 120.1 0.3 . 1 . . . . 72 GLN N . 17249 1 740 . 1 1 72 72 GLN NE2 N 15 109.2 0.3 . 1 . . . . 72 GLN NE2 . 17249 1 741 . 1 1 73 73 ARG H H 1 8.95 0.02 . 1 . . . . 73 ARG H . 17249 1 742 . 1 1 73 73 ARG HA H 1 4.87 0.02 . 1 . . . . 73 ARG HA . 17249 1 743 . 1 1 73 73 ARG HB2 H 1 1.75 0.02 . 2 . . . . 73 ARG HB2 . 17249 1 744 . 1 1 73 73 ARG HB3 H 1 1.61 0.02 . 2 . . . . 73 ARG HB3 . 17249 1 745 . 1 1 73 73 ARG HD2 H 1 3.13 0.02 . 2 . . . . 73 ARG HD2 . 17249 1 746 . 1 1 73 73 ARG HD3 H 1 2.93 0.02 . 2 . . . . 73 ARG HD3 . 17249 1 747 . 1 1 73 73 ARG HG2 H 1 1.53 0.02 . 2 . . . . 73 ARG HG2 . 17249 1 748 . 1 1 73 73 ARG HG3 H 1 1.41 0.02 . 2 . . . . 73 ARG HG3 . 17249 1 749 . 1 1 73 73 ARG C C 13 174.0 0.3 . 1 . . . . 73 ARG C . 17249 1 750 . 1 1 73 73 ARG CA C 13 54.5 0.3 . 1 . . . . 73 ARG CA . 17249 1 751 . 1 1 73 73 ARG CB C 13 33.6 0.3 . 1 . . . . 73 ARG CB . 17249 1 752 . 1 1 73 73 ARG CD C 13 43.3 0.3 . 1 . . . . 73 ARG CD . 17249 1 753 . 1 1 73 73 ARG CG C 13 26.3 0.3 . 1 . . . . 73 ARG CG . 17249 1 754 . 1 1 73 73 ARG N N 15 119.2 0.3 . 1 . . . . 73 ARG N . 17249 1 755 . 1 1 74 74 SER H H 1 8.59 0.02 . 1 . . . . 74 SER H . 17249 1 756 . 1 1 74 74 SER HA H 1 5.01 0.02 . 1 . . . . 74 SER HA . 17249 1 757 . 1 1 74 74 SER HB2 H 1 4.19 0.02 . 2 . . . . 74 SER HB2 . 17249 1 758 . 1 1 74 74 SER HB3 H 1 4.04 0.02 . 2 . . . . 74 SER HB3 . 17249 1 759 . 1 1 74 74 SER C C 13 178.9 0.3 . 1 . . . . 74 SER C . 17249 1 760 . 1 1 74 74 SER CA C 13 57.3 0.3 . 1 . . . . 74 SER CA . 17249 1 761 . 1 1 74 74 SER CB C 13 66.9 0.3 . 1 . . . . 74 SER CB . 17249 1 762 . 1 1 74 74 SER N N 15 117.1 0.3 . 1 . . . . 74 SER N . 17249 1 763 . 1 1 75 75 ALA HA H 1 4.04 0.02 . 1 . . . . 75 ALA HA . 17249 1 764 . 1 1 75 75 ALA HB1 H 1 1.55 0.02 . 1 . . . . 75 ALA HB . 17249 1 765 . 1 1 75 75 ALA HB2 H 1 1.55 0.02 . 1 . . . . 75 ALA HB . 17249 1 766 . 1 1 75 75 ALA HB3 H 1 1.55 0.02 . 1 . . . . 75 ALA HB . 17249 1 767 . 1 1 75 75 ALA C C 13 178.9 0.3 . 1 . . . . 75 ALA C . 17249 1 768 . 1 1 75 75 ALA CA C 13 55.1 0.3 . 1 . . . . 75 ALA CA . 17249 1 769 . 1 1 75 75 ALA CB C 13 19.5 0.3 . 1 . . . . 75 ALA CB . 17249 1 770 . 1 1 76 76 ALA H H 1 8.21 0.02 . 1 . . . . 76 ALA H . 17249 1 771 . 1 1 76 76 ALA HA H 1 4.38 0.02 . 1 . . . . 76 ALA HA . 17249 1 772 . 1 1 76 76 ALA HB1 H 1 1.48 0.02 . 1 . . . . 76 ALA HB . 17249 1 773 . 1 1 76 76 ALA HB2 H 1 1.48 0.02 . 1 . . . . 76 ALA HB . 17249 1 774 . 1 1 76 76 ALA HB3 H 1 1.48 0.02 . 1 . . . . 76 ALA HB . 17249 1 775 . 1 1 76 76 ALA C C 13 177.9 0.3 . 1 . . . . 76 ALA C . 17249 1 776 . 1 1 76 76 ALA CA C 13 52.7 0.3 . 1 . . . . 76 ALA CA . 17249 1 777 . 1 1 76 76 ALA CB C 13 19.4 0.3 . 1 . . . . 76 ALA CB . 17249 1 778 . 1 1 76 76 ALA N N 15 118.5 0.3 . 1 . . . . 76 ALA N . 17249 1 779 . 1 1 77 77 GLY H H 1 7.60 0.02 . 1 . . . . 77 GLY H . 17249 1 780 . 1 1 77 77 GLY HA2 H 1 4.16 0.02 . 2 . . . . 77 GLY HA2 . 17249 1 781 . 1 1 77 77 GLY HA3 H 1 3.80 0.02 . 2 . . . . 77 GLY HA3 . 17249 1 782 . 1 1 77 77 GLY C C 13 172.3 0.3 . 1 . . . . 77 GLY C . 17249 1 783 . 1 1 77 77 GLY CA C 13 44.9 0.3 . 1 . . . . 77 GLY CA . 17249 1 784 . 1 1 77 77 GLY N N 15 106.6 0.3 . 1 . . . . 77 GLY N . 17249 1 785 . 1 1 78 78 THR H H 1 8.04 0.02 . 1 . . . . 78 THR H . 17249 1 786 . 1 1 78 78 THR HA H 1 4.28 0.02 . 1 . . . . 78 THR HA . 17249 1 787 . 1 1 78 78 THR HB H 1 3.94 0.02 . 1 . . . . 78 THR HB . 17249 1 788 . 1 1 78 78 THR HG21 H 1 1.12 0.02 . 1 . . . . 78 THR HG2 . 17249 1 789 . 1 1 78 78 THR HG22 H 1 1.12 0.02 . 1 . . . . 78 THR HG2 . 17249 1 790 . 1 1 78 78 THR HG23 H 1 1.12 0.02 . 1 . . . . 78 THR HG2 . 17249 1 791 . 1 1 78 78 THR C C 13 172.9 0.3 . 1 . . . . 78 THR C . 17249 1 792 . 1 1 78 78 THR CA C 13 61.9 0.3 . 1 . . . . 78 THR CA . 17249 1 793 . 1 1 78 78 THR CB C 13 69.2 0.3 . 1 . . . . 78 THR CB . 17249 1 794 . 1 1 78 78 THR CG2 C 13 21.5 0.3 . 1 . . . . 78 THR CG2 . 17249 1 795 . 1 1 78 78 THR N N 15 115.4 0.3 . 1 . . . . 78 THR N . 17249 1 796 . 1 1 79 79 PHE H H 1 8.56 0.02 . 1 . . . . 79 PHE H . 17249 1 797 . 1 1 79 79 PHE HA H 1 4.71 0.02 . 1 . . . . 79 PHE HA . 17249 1 798 . 1 1 79 79 PHE HB2 H 1 3.31 0.02 . 2 . . . . 79 PHE HB2 . 17249 1 799 . 1 1 79 79 PHE HB3 H 1 2.80 0.02 . 2 . . . . 79 PHE HB3 . 17249 1 800 . 1 1 79 79 PHE HD1 H 1 7.14 0.02 . 1 . . . . 79 PHE HD1 . 17249 1 801 . 1 1 79 79 PHE HE1 H 1 7.20 0.02 . 1 . . . . 79 PHE HE1 . 17249 1 802 . 1 1 79 79 PHE C C 13 175.3 0.3 . 1 . . . . 79 PHE C . 17249 1 803 . 1 1 79 79 PHE CA C 13 56.1 0.3 . 1 . . . . 79 PHE CA . 17249 1 804 . 1 1 79 79 PHE CB C 13 39.3 0.3 . 1 . . . . 79 PHE CB . 17249 1 805 . 1 1 79 79 PHE CD1 C 13 132.4 0.3 . 1 . . . . 79 PHE CD1 . 17249 1 806 . 1 1 79 79 PHE CE1 C 13 131.2 0.3 . 1 . . . . 79 PHE CE1 . 17249 1 807 . 1 1 79 79 PHE N N 15 127.9 0.3 . 1 . . . . 79 PHE N . 17249 1 808 . 1 1 80 80 SER H H 1 7.37 0.02 . 1 . . . . 80 SER H . 17249 1 809 . 1 1 80 80 SER HA H 1 4.30 0.02 . 1 . . . . 80 SER HA . 17249 1 810 . 1 1 80 80 SER HB2 H 1 3.62 0.02 . 2 . . . . 80 SER HB2 . 17249 1 811 . 1 1 80 80 SER HB3 H 1 3.44 0.02 . 2 . . . . 80 SER HB3 . 17249 1 812 . 1 1 80 80 SER C C 13 174.5 0.3 . 1 . . . . 80 SER C . 17249 1 813 . 1 1 80 80 SER CA C 13 56.4 0.3 . 1 . . . . 80 SER CA . 17249 1 814 . 1 1 80 80 SER CB C 13 64.8 0.3 . 1 . . . . 80 SER CB . 17249 1 815 . 1 1 80 80 SER N N 15 115.0 0.3 . 1 . . . . 80 SER N . 17249 1 816 . 1 1 81 81 ASP H H 1 9.33 0.02 . 1 . . . . 81 ASP H . 17249 1 817 . 1 1 81 81 ASP HA H 1 5.11 0.02 . 1 . . . . 81 ASP HA . 17249 1 818 . 1 1 81 81 ASP HB2 H 1 3.03 0.02 . 2 . . . . 81 ASP HB2 . 17249 1 819 . 1 1 81 81 ASP HB3 H 1 2.62 0.02 . 2 . . . . 81 ASP HB3 . 17249 1 820 . 1 1 81 81 ASP C C 13 176.0 0.3 . 1 . . . . 81 ASP C . 17249 1 821 . 1 1 81 81 ASP CA C 13 54.7 0.3 . 1 . . . . 81 ASP CA . 17249 1 822 . 1 1 81 81 ASP CB C 13 40.7 0.3 . 1 . . . . 81 ASP CB . 17249 1 823 . 1 1 81 81 ASP N N 15 126.1 0.3 . 1 . . . . 81 ASP N . 17249 1 824 . 1 1 82 82 LEU H H 1 8.42 0.02 . 1 . . . . 82 LEU H . 17249 1 825 . 1 1 82 82 LEU HA H 1 5.16 0.02 . 1 . . . . 82 LEU HA . 17249 1 826 . 1 1 82 82 LEU HB2 H 1 1.66 0.02 . 2 . . . . 82 LEU HB2 . 17249 1 827 . 1 1 82 82 LEU HB3 H 1 1.35 0.02 . 2 . . . . 82 LEU HB3 . 17249 1 828 . 1 1 82 82 LEU HD11 H 1 0.81 0.02 . 1 . . . . 82 LEU HD1 . 17249 1 829 . 1 1 82 82 LEU HD12 H 1 0.81 0.02 . 1 . . . . 82 LEU HD1 . 17249 1 830 . 1 1 82 82 LEU HD13 H 1 0.81 0.02 . 1 . . . . 82 LEU HD1 . 17249 1 831 . 1 1 82 82 LEU HD21 H 1 0.68 0.02 . 1 . . . . 82 LEU HD2 . 17249 1 832 . 1 1 82 82 LEU HD22 H 1 0.68 0.02 . 1 . . . . 82 LEU HD2 . 17249 1 833 . 1 1 82 82 LEU HD23 H 1 0.68 0.02 . 1 . . . . 82 LEU HD2 . 17249 1 834 . 1 1 82 82 LEU HG H 1 1.21 0.02 . 1 . . . . 82 LEU HG . 17249 1 835 . 1 1 82 82 LEU C C 13 175.3 0.3 . 1 . . . . 82 LEU C . 17249 1 836 . 1 1 82 82 LEU CA C 13 53.1 0.3 . 1 . . . . 82 LEU CA . 17249 1 837 . 1 1 82 82 LEU CB C 13 46.1 0.3 . 1 . . . . 82 LEU CB . 17249 1 838 . 1 1 82 82 LEU CD1 C 13 26.9 0.3 . 1 . . . . 82 LEU CD1 . 17249 1 839 . 1 1 82 82 LEU CD2 C 13 23.0 0.3 . 1 . . . . 82 LEU CD2 . 17249 1 840 . 1 1 82 82 LEU CG C 13 27.9 0.3 . 1 . . . . 82 LEU CG . 17249 1 841 . 1 1 82 82 LEU N N 15 122.3 0.3 . 1 . . . . 82 LEU N . 17249 1 842 . 1 1 83 83 ILE H H 1 8.79 0.02 . 1 . . . . 83 ILE H . 17249 1 843 . 1 1 83 83 ILE HA H 1 4.67 0.02 . 1 . . . . 83 ILE HA . 17249 1 844 . 1 1 83 83 ILE HB H 1 1.56 0.02 . 1 . . . . 83 ILE HB . 17249 1 845 . 1 1 83 83 ILE HD11 H 1 0.51 0.02 . 1 . . . . 83 ILE HD1 . 17249 1 846 . 1 1 83 83 ILE HD12 H 1 0.51 0.02 . 1 . . . . 83 ILE HD1 . 17249 1 847 . 1 1 83 83 ILE HD13 H 1 0.51 0.02 . 1 . . . . 83 ILE HD1 . 17249 1 848 . 1 1 83 83 ILE HG12 H 1 1.46 0.02 . 2 . . . . 83 ILE HG12 . 17249 1 849 . 1 1 83 83 ILE HG13 H 1 0.64 0.02 . 2 . . . . 83 ILE HG13 . 17249 1 850 . 1 1 83 83 ILE HG21 H 1 0.18 0.02 . 1 . . . . 83 ILE HG2 . 17249 1 851 . 1 1 83 83 ILE HG22 H 1 0.18 0.02 . 1 . . . . 83 ILE HG2 . 17249 1 852 . 1 1 83 83 ILE HG23 H 1 0.18 0.02 . 1 . . . . 83 ILE HG2 . 17249 1 853 . 1 1 83 83 ILE C C 13 178.6 0.3 . 1 . . . . 83 ILE C . 17249 1 854 . 1 1 83 83 ILE CA C 13 60.3 0.3 . 1 . . . . 83 ILE CA . 17249 1 855 . 1 1 83 83 ILE CB C 13 37.8 0.3 . 1 . . . . 83 ILE CB . 17249 1 856 . 1 1 83 83 ILE CD1 C 13 14.4 0.3 . 1 . . . . 83 ILE CD1 . 17249 1 857 . 1 1 83 83 ILE CG1 C 13 28.2 0.3 . 1 . . . . 83 ILE CG1 . 17249 1 858 . 1 1 83 83 ILE CG2 C 13 17.4 0.3 . 1 . . . . 83 ILE CG2 . 17249 1 859 . 1 1 83 83 ILE N N 15 126.6 0.3 . 1 . . . . 83 ILE N . 17249 1 860 . 1 1 84 84 LEU H H 1 9.14 0.02 . 1 . . . . 84 LEU H . 17249 1 861 . 1 1 84 84 LEU HA H 1 4.19 0.02 . 1 . . . . 84 LEU HA . 17249 1 862 . 1 1 84 84 LEU HB2 H 1 2.01 0.02 . 2 . . . . 84 LEU HB2 . 17249 1 863 . 1 1 84 84 LEU HB3 H 1 1.61 0.02 . 2 . . . . 84 LEU HB3 . 17249 1 864 . 1 1 84 84 LEU HD11 H 1 0.85 0.02 . 1 . . . . 84 LEU HD1 . 17249 1 865 . 1 1 84 84 LEU HD12 H 1 0.85 0.02 . 1 . . . . 84 LEU HD1 . 17249 1 866 . 1 1 84 84 LEU HD13 H 1 0.85 0.02 . 1 . . . . 84 LEU HD1 . 17249 1 867 . 1 1 84 84 LEU HD21 H 1 0.82 0.02 . 1 . . . . 84 LEU HD2 . 17249 1 868 . 1 1 84 84 LEU HD22 H 1 0.82 0.02 . 1 . . . . 84 LEU HD2 . 17249 1 869 . 1 1 84 84 LEU HD23 H 1 0.82 0.02 . 1 . . . . 84 LEU HD2 . 17249 1 870 . 1 1 84 84 LEU HG H 1 1.65 0.02 . 1 . . . . 84 LEU HG . 17249 1 871 . 1 1 84 84 LEU CA C 13 57.7 0.3 . 1 . . . . 84 LEU CA . 17249 1 872 . 1 1 84 84 LEU CB C 13 41.4 0.3 . 1 . . . . 84 LEU CB . 17249 1 873 . 1 1 84 84 LEU CD1 C 13 24.6 0.3 . 1 . . . . 84 LEU CD1 . 17249 1 874 . 1 1 84 84 LEU CD2 C 13 24.4 0.3 . 1 . . . . 84 LEU CD2 . 17249 1 875 . 1 1 84 84 LEU CG C 13 27.5 0.3 . 1 . . . . 84 LEU CG . 17249 1 876 . 1 1 84 84 LEU N N 15 132.8 0.3 . 1 . . . . 84 LEU N . 17249 1 877 . 1 1 85 85 ASP H H 1 8.17 0.02 . 1 . . . . 85 ASP H . 17249 1 878 . 1 1 85 85 ASP HA H 1 4.90 0.02 . 1 . . . . 85 ASP HA . 17249 1 879 . 1 1 85 85 ASP HB2 H 1 2.87 0.02 . 2 . . . . 85 ASP HB2 . 17249 1 880 . 1 1 85 85 ASP HB3 H 1 2.25 0.02 . 2 . . . . 85 ASP HB3 . 17249 1 881 . 1 1 85 85 ASP C C 13 175.5 0.3 . 1 . . . . 85 ASP C . 17249 1 882 . 1 1 85 85 ASP CA C 13 52.9 0.3 . 1 . . . . 85 ASP CA . 17249 1 883 . 1 1 85 85 ASP CB C 13 41.3 0.3 . 1 . . . . 85 ASP CB . 17249 1 884 . 1 1 85 85 ASP N N 15 123.6 0.3 . 1 . . . . 85 ASP N . 17249 1 885 . 1 1 86 86 PHE H H 1 9.29 0.02 . 1 . . . . 86 PHE H . 17249 1 886 . 1 1 86 86 PHE HA H 1 4.15 0.02 . 1 . . . . 86 PHE HA . 17249 1 887 . 1 1 86 86 PHE HB2 H 1 2.58 0.02 . 2 . . . . 86 PHE HB2 . 17249 1 888 . 1 1 86 86 PHE HB3 H 1 2.40 0.02 . 2 . . . . 86 PHE HB3 . 17249 1 889 . 1 1 86 86 PHE HD1 H 1 6.51 0.02 . 1 . . . . 86 PHE HD1 . 17249 1 890 . 1 1 86 86 PHE HE1 H 1 6.92 0.02 . 1 . . . . 86 PHE HE1 . 17249 1 891 . 1 1 86 86 PHE C C 13 175.3 0.3 . 1 . . . . 86 PHE C . 17249 1 892 . 1 1 86 86 PHE CA C 13 60.0 0.3 . 1 . . . . 86 PHE CA . 17249 1 893 . 1 1 86 86 PHE CB C 13 40.2 0.3 . 1 . . . . 86 PHE CB . 17249 1 894 . 1 1 86 86 PHE CD1 C 13 133.6 0.3 . 1 . . . . 86 PHE CD1 . 17249 1 895 . 1 1 86 86 PHE CE1 C 13 133.0 0.3 . 1 . . . . 86 PHE CE1 . 17249 1 896 . 1 1 86 86 PHE N N 15 123.6 0.3 . 1 . . . . 86 PHE N . 17249 1 897 . 1 1 87 87 ASP H H 1 9.16 0.02 . 1 . . . . 87 ASP H . 17249 1 898 . 1 1 87 87 ASP HA H 1 5.04 0.02 . 1 . . . . 87 ASP HA . 17249 1 899 . 1 1 87 87 ASP HB2 H 1 2.86 0.02 . 2 . . . . 87 ASP HB2 . 17249 1 900 . 1 1 87 87 ASP HB3 H 1 2.56 0.02 . 2 . . . . 87 ASP HB3 . 17249 1 901 . 1 1 87 87 ASP C C 13 175.4 0.3 . 1 . . . . 87 ASP C . 17249 1 902 . 1 1 87 87 ASP CA C 13 48.9 0.3 . 1 . . . . 87 ASP CA . 17249 1 903 . 1 1 87 87 ASP CB C 13 41.3 0.3 . 1 . . . . 87 ASP CB . 17249 1 904 . 1 1 87 87 ASP N N 15 128.1 0.3 . 1 . . . . 87 ASP N . 17249 1 905 . 1 1 88 88 PRO HA H 1 3.90 0.02 . 1 . . . . 88 PRO HA . 17249 1 906 . 1 1 88 88 PRO HB2 H 1 2.22 0.02 . 2 . . . . 88 PRO HB2 . 17249 1 907 . 1 1 88 88 PRO HB3 H 1 2.11 0.02 . 2 . . . . 88 PRO HB3 . 17249 1 908 . 1 1 88 88 PRO HD2 H 1 3.73 0.02 . 2 . . . . 88 PRO HD2 . 17249 1 909 . 1 1 88 88 PRO HD3 H 1 3.97 0.02 . 2 . . . . 88 PRO HD3 . 17249 1 910 . 1 1 88 88 PRO HG2 H 1 2.27 0.02 . 2 . . . . 88 PRO HG2 . 17249 1 911 . 1 1 88 88 PRO HG3 H 1 2.12 0.02 . 2 . . . . 88 PRO HG3 . 17249 1 912 . 1 1 88 88 PRO C C 13 177.4 0.3 . 1 . . . . 88 PRO C . 17249 1 913 . 1 1 88 88 PRO CA C 13 63.8 0.3 . 1 . . . . 88 PRO CA . 17249 1 914 . 1 1 88 88 PRO CB C 13 33.2 0.3 . 1 . . . . 88 PRO CB . 17249 1 915 . 1 1 88 88 PRO CD C 13 51.2 0.3 . 1 . . . . 88 PRO CD . 17249 1 916 . 1 1 88 88 PRO CG C 13 32.1 0.3 . 1 . . . . 88 PRO CG . 17249 1 917 . 1 1 89 89 THR H H 1 8.17 0.02 . 1 . . . . 89 THR H . 17249 1 918 . 1 1 89 89 THR HA H 1 4.36 0.02 . 1 . . . . 89 THR HA . 17249 1 919 . 1 1 89 89 THR HB H 1 4.29 0.02 . 1 . . . . 89 THR HB . 17249 1 920 . 1 1 89 89 THR HG21 H 1 1.25 0.02 . 1 . . . . 89 THR HG2 . 17249 1 921 . 1 1 89 89 THR HG22 H 1 1.25 0.02 . 1 . . . . 89 THR HG2 . 17249 1 922 . 1 1 89 89 THR HG23 H 1 1.25 0.02 . 1 . . . . 89 THR HG2 . 17249 1 923 . 1 1 89 89 THR C C 13 175.0 0.3 . 1 . . . . 89 THR C . 17249 1 924 . 1 1 89 89 THR CA C 13 62.9 0.3 . 1 . . . . 89 THR CA . 17249 1 925 . 1 1 89 89 THR CB C 13 69.7 0.3 . 1 . . . . 89 THR CB . 17249 1 926 . 1 1 89 89 THR CG2 C 13 21.8 0.3 . 1 . . . . 89 THR CG2 . 17249 1 927 . 1 1 89 89 THR N N 15 108.8 0.3 . 1 . . . . 89 THR N . 17249 1 928 . 1 1 90 90 GLN H H 1 7.33 0.02 . 1 . . . . 90 GLN H . 17249 1 929 . 1 1 90 90 GLN HA H 1 4.58 0.02 . 1 . . . . 90 GLN HA . 17249 1 930 . 1 1 90 90 GLN HB2 H 1 2.09 0.02 . 2 . . . . 90 GLN HB2 . 17249 1 931 . 1 1 90 90 GLN HB3 H 1 1.68 0.02 . 2 . . . . 90 GLN HB3 . 17249 1 932 . 1 1 90 90 GLN HE21 H 1 6.81 0.02 . 1 . . . . 90 GLN HE21 . 17249 1 933 . 1 1 90 90 GLN HE22 H 1 7.36 0.02 . 1 . . . . 90 GLN HE22 . 17249 1 934 . 1 1 90 90 GLN HG2 H 1 1.89 0.02 . 2 . . . . 90 GLN HG2 . 17249 1 935 . 1 1 90 90 GLN HG3 H 1 2.17 0.02 . 2 . . . . 90 GLN HG3 . 17249 1 936 . 1 1 90 90 GLN C C 13 174.8 0.3 . 1 . . . . 90 GLN C . 17249 1 937 . 1 1 90 90 GLN CA C 13 57.1 0.3 . 1 . . . . 90 GLN CA . 17249 1 938 . 1 1 90 90 GLN CB C 13 33.3 0.3 . 1 . . . . 90 GLN CB . 17249 1 939 . 1 1 90 90 GLN CG C 13 33.3 0.3 . 1 . . . . 90 GLN CG . 17249 1 940 . 1 1 90 90 GLN N N 15 118.4 0.3 . 1 . . . . 90 GLN N . 17249 1 941 . 1 1 90 90 GLN NE2 N 15 112.2 0.3 . 1 . . . . 90 GLN NE2 . 17249 1 942 . 1 1 91 91 ASP H H 1 8.44 0.02 . 1 . . . . 91 ASP H . 17249 1 943 . 1 1 91 91 ASP HA H 1 5.24 0.02 . 1 . . . . 91 ASP HA . 17249 1 944 . 1 1 91 91 ASP HB2 H 1 3.01 0.02 . 2 . . . . 91 ASP HB2 . 17249 1 945 . 1 1 91 91 ASP HB3 H 1 2.17 0.02 . 2 . . . . 91 ASP HB3 . 17249 1 946 . 1 1 91 91 ASP C C 13 174.8 0.3 . 1 . . . . 91 ASP C . 17249 1 947 . 1 1 91 91 ASP CA C 13 54.1 0.3 . 1 . . . . 91 ASP CA . 17249 1 948 . 1 1 91 91 ASP CB C 13 44.3 0.3 . 1 . . . . 91 ASP CB . 17249 1 949 . 1 1 91 91 ASP N N 15 119.8 0.3 . 1 . . . . 91 ASP N . 17249 1 950 . 1 1 92 92 LYS H H 1 8.95 0.02 . 1 . . . . 92 LYS H . 17249 1 951 . 1 1 92 92 LYS HA H 1 5.61 0.02 . 1 . . . . 92 LYS HA . 17249 1 952 . 1 1 92 92 LYS HB2 H 1 1.77 0.02 . 2 . . . . 92 LYS HB2 . 17249 1 953 . 1 1 92 92 LYS HB3 H 1 1.56 0.02 . 2 . . . . 92 LYS HB3 . 17249 1 954 . 1 1 92 92 LYS HD2 H 1 1.66 0.02 . 2 . . . . 92 LYS HD2 . 17249 1 955 . 1 1 92 92 LYS HD3 H 1 1.41 0.02 . 2 . . . . 92 LYS HD3 . 17249 1 956 . 1 1 92 92 LYS HE2 H 1 2.97 0.02 . 2 . . . . 92 LYS HE2 . 17249 1 957 . 1 1 92 92 LYS HE3 H 1 2.87 0.02 . 2 . . . . 92 LYS HE3 . 17249 1 958 . 1 1 92 92 LYS HG2 H 1 1.39 0.02 . 2 . . . . 92 LYS HG2 . 17249 1 959 . 1 1 92 92 LYS HG3 H 1 1.29 0.02 . 2 . . . . 92 LYS HG3 . 17249 1 960 . 1 1 92 92 LYS C C 13 176.6 0.3 . 1 . . . . 92 LYS C . 17249 1 961 . 1 1 92 92 LYS CA C 13 54.3 0.3 . 1 . . . . 92 LYS CA . 17249 1 962 . 1 1 92 92 LYS CB C 13 37.5 0.3 . 1 . . . . 92 LYS CB . 17249 1 963 . 1 1 92 92 LYS CD C 13 29.4 0.3 . 1 . . . . 92 LYS CD . 17249 1 964 . 1 1 92 92 LYS CE C 13 42.2 0.3 . 1 . . . . 92 LYS CE . 17249 1 965 . 1 1 92 92 LYS CG C 13 25.4 0.3 . 1 . . . . 92 LYS CG . 17249 1 966 . 1 1 92 92 LYS N N 15 114.5 0.3 . 1 . . . . 92 LYS N . 17249 1 967 . 1 1 93 93 LEU H H 1 8.92 0.02 . 1 . . . . 93 LEU H . 17249 1 968 . 1 1 93 93 LEU HA H 1 5.38 0.02 . 1 . . . . 93 LEU HA . 17249 1 969 . 1 1 93 93 LEU HB2 H 1 1.84 0.02 . 2 . . . . 93 LEU HB2 . 17249 1 970 . 1 1 93 93 LEU HB3 H 1 1.43 0.02 . 2 . . . . 93 LEU HB3 . 17249 1 971 . 1 1 93 93 LEU HD11 H 1 0.68 0.02 . 1 . . . . 93 LEU HD1 . 17249 1 972 . 1 1 93 93 LEU HD12 H 1 0.68 0.02 . 1 . . . . 93 LEU HD1 . 17249 1 973 . 1 1 93 93 LEU HD13 H 1 0.68 0.02 . 1 . . . . 93 LEU HD1 . 17249 1 974 . 1 1 93 93 LEU HD21 H 1 0.46 0.02 . 1 . . . . 93 LEU HD2 . 17249 1 975 . 1 1 93 93 LEU HD22 H 1 0.46 0.02 . 1 . . . . 93 LEU HD2 . 17249 1 976 . 1 1 93 93 LEU HD23 H 1 0.46 0.02 . 1 . . . . 93 LEU HD2 . 17249 1 977 . 1 1 93 93 LEU HG H 1 1.67 0.02 . 1 . . . . 93 LEU HG . 17249 1 978 . 1 1 93 93 LEU C C 13 175.5 0.3 . 1 . . . . 93 LEU C . 17249 1 979 . 1 1 93 93 LEU CA C 13 53.9 0.3 . 1 . . . . 93 LEU CA . 17249 1 980 . 1 1 93 93 LEU CB C 13 44.0 0.3 . 1 . . . . 93 LEU CB . 17249 1 981 . 1 1 93 93 LEU CD1 C 13 25.8 0.3 . 1 . . . . 93 LEU CD1 . 17249 1 982 . 1 1 93 93 LEU CD2 C 13 26.1 0.3 . 1 . . . . 93 LEU CD2 . 17249 1 983 . 1 1 93 93 LEU CG C 13 27.6 0.3 . 1 . . . . 93 LEU CG . 17249 1 984 . 1 1 93 93 LEU N N 15 122.7 0.3 . 1 . . . . 93 LEU N . 17249 1 985 . 1 1 94 94 ASP H H 1 9.40 0.02 . 1 . . . . 94 ASP H . 17249 1 986 . 1 1 94 94 ASP HA H 1 5.24 0.02 . 1 . . . . 94 ASP HA . 17249 1 987 . 1 1 94 94 ASP HB2 H 1 2.25 0.02 . 2 . . . . 94 ASP HB2 . 17249 1 988 . 1 1 94 94 ASP HB3 H 1 2.79 0.02 . 2 . . . . 94 ASP HB3 . 17249 1 989 . 1 1 94 94 ASP C C 13 176.7 0.3 . 1 . . . . 94 ASP C . 17249 1 990 . 1 1 94 94 ASP CA C 13 53.9 0.3 . 1 . . . . 94 ASP CA . 17249 1 991 . 1 1 94 94 ASP CB C 13 42.3 0.3 . 1 . . . . 94 ASP CB . 17249 1 992 . 1 1 94 94 ASP N N 15 122.6 0.3 . 1 . . . . 94 ASP N . 17249 1 993 . 1 1 95 95 VAL H H 1 7.97 0.02 . 1 . . . . 95 VAL H . 17249 1 994 . 1 1 95 95 VAL HA H 1 4.83 0.02 . 1 . . . . 95 VAL HA . 17249 1 995 . 1 1 95 95 VAL HB H 1 2.67 0.02 . 1 . . . . 95 VAL HB . 17249 1 996 . 1 1 95 95 VAL HG11 H 1 0.74 0.02 . 1 . . . . 95 VAL HG1 . 17249 1 997 . 1 1 95 95 VAL HG12 H 1 0.74 0.02 . 1 . . . . 95 VAL HG1 . 17249 1 998 . 1 1 95 95 VAL HG13 H 1 0.74 0.02 . 1 . . . . 95 VAL HG1 . 17249 1 999 . 1 1 95 95 VAL HG21 H 1 0.65 0.02 . 1 . . . . 95 VAL HG2 . 17249 1 1000 . 1 1 95 95 VAL HG22 H 1 0.65 0.02 . 1 . . . . 95 VAL HG2 . 17249 1 1001 . 1 1 95 95 VAL HG23 H 1 0.65 0.02 . 1 . . . . 95 VAL HG2 . 17249 1 1002 . 1 1 95 95 VAL C C 13 176.9 0.3 . 1 . . . . 95 VAL C . 17249 1 1003 . 1 1 95 95 VAL CA C 13 59.8 0.3 . 1 . . . . 95 VAL CA . 17249 1 1004 . 1 1 95 95 VAL CB C 13 31.4 0.3 . 1 . . . . 95 VAL CB . 17249 1 1005 . 1 1 95 95 VAL CG1 C 13 21.1 0.3 . 1 . . . . 95 VAL CG1 . 17249 1 1006 . 1 1 95 95 VAL CG2 C 13 19.7 0.3 . 1 . . . . 95 VAL CG2 . 17249 1 1007 . 1 1 95 95 VAL N N 15 118.4 0.3 . 1 . . . . 95 VAL N . 17249 1 1008 . 1 1 96 96 SER H H 1 8.83 0.02 . 1 . . . . 96 SER H . 17249 1 1009 . 1 1 96 96 SER HA H 1 4.79 0.02 . 1 . . . . 96 SER HA . 17249 1 1010 . 1 1 96 96 SER HB2 H 1 4.50 0.02 . 1 . . . . 96 SER HB2 . 17249 1 1011 . 1 1 96 96 SER C C 13 176.5 0.3 . 1 . . . . 96 SER C . 17249 1 1012 . 1 1 96 96 SER CA C 13 63.1 0.3 . 1 . . . . 96 SER CA . 17249 1 1013 . 1 1 96 96 SER CB C 13 64.3 0.3 . 1 . . . . 96 SER CB . 17249 1 1014 . 1 1 96 96 SER N N 15 122.9 0.3 . 1 . . . . 96 SER N . 17249 1 1015 . 1 1 97 97 ALA H H 1 8.89 0.02 . 1 . . . . 97 ALA H . 17249 1 1016 . 1 1 97 97 ALA HA H 1 4.41 0.02 . 1 . . . . 97 ALA HA . 17249 1 1017 . 1 1 97 97 ALA HB1 H 1 1.44 0.02 . 1 . . . . 97 ALA HB . 17249 1 1018 . 1 1 97 97 ALA HB2 H 1 1.44 0.02 . 1 . . . . 97 ALA HB . 17249 1 1019 . 1 1 97 97 ALA HB3 H 1 1.44 0.02 . 1 . . . . 97 ALA HB . 17249 1 1020 . 1 1 97 97 ALA C C 13 178.9 0.3 . 1 . . . . 97 ALA C . 17249 1 1021 . 1 1 97 97 ALA CA C 13 53.2 0.3 . 1 . . . . 97 ALA CA . 17249 1 1022 . 1 1 97 97 ALA CB C 13 18.7 0.3 . 1 . . . . 97 ALA CB . 17249 1 1023 . 1 1 97 97 ALA N N 15 125.8 0.3 . 1 . . . . 97 ALA N . 17249 1 1024 . 1 1 98 98 LEU H H 1 7.75 0.02 . 1 . . . . 98 LEU H . 17249 1 1025 . 1 1 98 98 LEU HA H 1 4.05 0.02 . 1 . . . . 98 LEU HA . 17249 1 1026 . 1 1 98 98 LEU HB2 H 1 1.79 0.02 . 2 . . . . 98 LEU HB2 . 17249 1 1027 . 1 1 98 98 LEU HB3 H 1 1.03 0.02 . 2 . . . . 98 LEU HB3 . 17249 1 1028 . 1 1 98 98 LEU HD11 H 1 0.35 0.02 . 1 . . . . 98 LEU HD1 . 17249 1 1029 . 1 1 98 98 LEU HD12 H 1 0.35 0.02 . 1 . . . . 98 LEU HD1 . 17249 1 1030 . 1 1 98 98 LEU HD13 H 1 0.35 0.02 . 1 . . . . 98 LEU HD1 . 17249 1 1031 . 1 1 98 98 LEU HD21 H 1 0.32 0.02 . 1 . . . . 98 LEU HD2 . 17249 1 1032 . 1 1 98 98 LEU HD22 H 1 0.32 0.02 . 1 . . . . 98 LEU HD2 . 17249 1 1033 . 1 1 98 98 LEU HD23 H 1 0.32 0.02 . 1 . . . . 98 LEU HD2 . 17249 1 1034 . 1 1 98 98 LEU HG H 1 1.33 0.02 . 1 . . . . 98 LEU HG . 17249 1 1035 . 1 1 98 98 LEU C C 13 177.9 0.3 . 1 . . . . 98 LEU C . 17249 1 1036 . 1 1 98 98 LEU CA C 13 54.5 0.3 . 1 . . . . 98 LEU CA . 17249 1 1037 . 1 1 98 98 LEU CB C 13 42.7 0.3 . 1 . . . . 98 LEU CB . 17249 1 1038 . 1 1 98 98 LEU CD1 C 13 27.0 0.3 . 1 . . . . 98 LEU CD1 . 17249 1 1039 . 1 1 98 98 LEU CD2 C 13 22.5 0.3 . 1 . . . . 98 LEU CD2 . 17249 1 1040 . 1 1 98 98 LEU CG C 13 27.0 0.3 . 1 . . . . 98 LEU CG . 17249 1 1041 . 1 1 98 98 LEU N N 15 115.0 0.3 . 1 . . . . 98 LEU N . 17249 1 1042 . 1 1 99 99 GLY H H 1 7.66 0.02 . 1 . . . . 99 GLY H . 17249 1 1043 . 1 1 99 99 GLY HA2 H 1 3.82 0.02 . 2 . . . . 99 GLY HA2 . 17249 1 1044 . 1 1 99 99 GLY HA3 H 1 3.47 0.02 . 2 . . . . 99 GLY HA3 . 17249 1 1045 . 1 1 99 99 GLY C C 13 173.2 0.3 . 1 . . . . 99 GLY C . 17249 1 1046 . 1 1 99 99 GLY CA C 13 45.7 0.3 . 1 . . . . 99 GLY CA . 17249 1 1047 . 1 1 99 99 GLY N N 15 105.2 0.3 . 1 . . . . 99 GLY N . 17249 1 1048 . 1 1 100 100 PHE H H 1 6.45 0.02 . 1 . . . . 100 PHE H . 17249 1 1049 . 1 1 100 100 PHE HA H 1 5.44 0.02 . 1 . . . . 100 PHE HA . 17249 1 1050 . 1 1 100 100 PHE HB2 H 1 3.19 0.02 . 2 . . . . 100 PHE HB2 . 17249 1 1051 . 1 1 100 100 PHE HB3 H 1 2.73 0.02 . 2 . . . . 100 PHE HB3 . 17249 1 1052 . 1 1 100 100 PHE HD1 H 1 6.83 0.02 . 1 . . . . 100 PHE HD1 . 17249 1 1053 . 1 1 100 100 PHE HE1 H 1 6.88 0.02 . 1 . . . . 100 PHE HE1 . 17249 1 1054 . 1 1 100 100 PHE C C 13 176.6 0.3 . 1 . . . . 100 PHE C . 17249 1 1055 . 1 1 100 100 PHE CA C 13 56.3 0.3 . 1 . . . . 100 PHE CA . 17249 1 1056 . 1 1 100 100 PHE CB C 13 40.0 0.3 . 1 . . . . 100 PHE CB . 17249 1 1057 . 1 1 100 100 PHE CD1 C 13 130.9 0.3 . 1 . . . . 100 PHE CD1 . 17249 1 1058 . 1 1 100 100 PHE CE1 C 13 133.5 0.3 . 1 . . . . 100 PHE CE1 . 17249 1 1059 . 1 1 100 100 PHE N N 15 116.6 0.3 . 1 . . . . 100 PHE N . 17249 1 1060 . 1 1 101 101 THR H H 1 9.26 0.02 . 1 . . . . 101 THR H . 17249 1 1061 . 1 1 101 101 THR HA H 1 4.53 0.02 . 1 . . . . 101 THR HA . 17249 1 1062 . 1 1 101 101 THR HB H 1 4.28 0.02 . 1 . . . . 101 THR HB . 17249 1 1063 . 1 1 101 101 THR HG21 H 1 1.11 0.02 . 1 . . . . 101 THR HG2 . 17249 1 1064 . 1 1 101 101 THR HG22 H 1 1.11 0.02 . 1 . . . . 101 THR HG2 . 17249 1 1065 . 1 1 101 101 THR HG23 H 1 1.11 0.02 . 1 . . . . 101 THR HG2 . 17249 1 1066 . 1 1 101 101 THR C C 13 174.5 0.3 . 1 . . . . 101 THR C . 17249 1 1067 . 1 1 101 101 THR CA C 13 62.0 0.3 . 1 . . . . 101 THR CA . 17249 1 1068 . 1 1 101 101 THR CB C 13 69.6 0.3 . 1 . . . . 101 THR CB . 17249 1 1069 . 1 1 101 101 THR CG2 C 13 21.0 0.3 . 1 . . . . 101 THR CG2 . 17249 1 1070 . 1 1 101 101 THR N N 15 113.1 0.3 . 1 . . . . 101 THR N . 17249 1 1071 . 1 1 102 102 GLY H H 1 6.65 0.02 . 1 . . . . 102 GLY H . 17249 1 1072 . 1 1 102 102 GLY HA2 H 1 3.53 0.02 . 2 . . . . 102 GLY HA2 . 17249 1 1073 . 1 1 102 102 GLY HA3 H 1 1.81 0.02 . 2 . . . . 102 GLY HA3 . 17249 1 1074 . 1 1 102 102 GLY C C 13 171.8 0.3 . 1 . . . . 102 GLY C . 17249 1 1075 . 1 1 102 102 GLY CA C 13 44.4 0.3 . 1 . . . . 102 GLY CA . 17249 1 1076 . 1 1 102 102 GLY N N 15 109.7 0.3 . 1 . . . . 102 GLY N . 17249 1 1077 . 1 1 103 103 LEU H H 1 8.23 0.02 . 1 . . . . 103 LEU H . 17249 1 1078 . 1 1 103 103 LEU HA H 1 5.15 0.02 . 1 . . . . 103 LEU HA . 17249 1 1079 . 1 1 103 103 LEU HB2 H 1 1.84 0.02 . 2 . . . . 103 LEU HB2 . 17249 1 1080 . 1 1 103 103 LEU HB3 H 1 1.60 0.02 . 2 . . . . 103 LEU HB3 . 17249 1 1081 . 1 1 103 103 LEU HD11 H 1 0.94 0.02 . 1 . . . . 103 LEU HD1 . 17249 1 1082 . 1 1 103 103 LEU HD12 H 1 0.94 0.02 . 1 . . . . 103 LEU HD1 . 17249 1 1083 . 1 1 103 103 LEU HD13 H 1 0.94 0.02 . 1 . . . . 103 LEU HD1 . 17249 1 1084 . 1 1 103 103 LEU HD21 H 1 0.86 0.02 . 1 . . . . 103 LEU HD2 . 17249 1 1085 . 1 1 103 103 LEU HD22 H 1 0.86 0.02 . 1 . . . . 103 LEU HD2 . 17249 1 1086 . 1 1 103 103 LEU HD23 H 1 0.86 0.02 . 1 . . . . 103 LEU HD2 . 17249 1 1087 . 1 1 103 103 LEU HG H 1 1.63 0.02 . 1 . . . . 103 LEU HG . 17249 1 1088 . 1 1 103 103 LEU C C 13 178.5 0.3 . 1 . . . . 103 LEU C . 17249 1 1089 . 1 1 103 103 LEU CA C 13 53.4 0.3 . 1 . . . . 103 LEU CA . 17249 1 1090 . 1 1 103 103 LEU CB C 13 42.5 0.3 . 1 . . . . 103 LEU CB . 17249 1 1091 . 1 1 103 103 LEU CD1 C 13 25.5 0.3 . 1 . . . . 103 LEU CD1 . 17249 1 1092 . 1 1 103 103 LEU CD2 C 13 23.2 0.3 . 1 . . . . 103 LEU CD2 . 17249 1 1093 . 1 1 103 103 LEU CG C 13 27.4 0.3 . 1 . . . . 103 LEU CG . 17249 1 1094 . 1 1 103 103 LEU N N 15 119.4 0.3 . 1 . . . . 103 LEU N . 17249 1 1095 . 1 1 104 104 GLY H H 1 8.74 0.02 . 1 . . . . 104 GLY H . 17249 1 1096 . 1 1 104 104 GLY HA2 H 1 4.05 0.02 . 2 . . . . 104 GLY HA2 . 17249 1 1097 . 1 1 104 104 GLY HA3 H 1 3.97 0.02 . 2 . . . . 104 GLY HA3 . 17249 1 1098 . 1 1 104 104 GLY C C 13 172.1 0.3 . 1 . . . . 104 GLY C . 17249 1 1099 . 1 1 104 104 GLY CA C 13 47.3 0.3 . 1 . . . . 104 GLY CA . 17249 1 1100 . 1 1 104 104 GLY N N 15 111.7 0.3 . 1 . . . . 104 GLY N . 17249 1 1101 . 1 1 105 105 ASN H H 1 8.35 0.02 . 1 . . . . 105 ASN H . 17249 1 1102 . 1 1 105 105 ASN HA H 1 4.78 0.02 . 1 . . . . 105 ASN HA . 17249 1 1103 . 1 1 105 105 ASN HB2 H 1 3.45 0.02 . 2 . . . . 105 ASN HB2 . 17249 1 1104 . 1 1 105 105 ASN HB3 H 1 2.97 0.02 . 2 . . . . 105 ASN HB3 . 17249 1 1105 . 1 1 105 105 ASN HD21 H 1 7.04 0.02 . 1 . . . . 105 ASN HD21 . 17249 1 1106 . 1 1 105 105 ASN HD22 H 1 7.70 0.02 . 1 . . . . 105 ASN HD22 . 17249 1 1107 . 1 1 105 105 ASN C C 13 176.4 0.3 . 1 . . . . 105 ASN C . 17249 1 1108 . 1 1 105 105 ASN CA C 13 52.2 0.3 . 1 . . . . 105 ASN CA . 17249 1 1109 . 1 1 105 105 ASN CB C 13 42.4 0.3 . 1 . . . . 105 ASN CB . 17249 1 1110 . 1 1 105 105 ASN N N 15 124.3 0.3 . 1 . . . . 105 ASN N . 17249 1 1111 . 1 1 105 105 ASN ND2 N 15 110.5 0.3 . 1 . . . . 105 ASN ND2 . 17249 1 1112 . 1 1 106 106 GLY H H 1 8.10 0.02 . 1 . . . . 106 GLY H . 17249 1 1113 . 1 1 106 106 GLY HA2 H 1 4.20 0.02 . 2 . . . . 106 GLY HA2 . 17249 1 1114 . 1 1 106 106 GLY HA3 H 1 3.79 0.02 . 2 . . . . 106 GLY HA3 . 17249 1 1115 . 1 1 106 106 GLY C C 13 173.0 0.3 . 1 . . . . 106 GLY C . 17249 1 1116 . 1 1 106 106 GLY CA C 13 44.7 0.3 . 1 . . . . 106 GLY CA . 17249 1 1117 . 1 1 106 106 GLY N N 15 107.5 0.3 . 1 . . . . 106 GLY N . 17249 1 1118 . 1 1 107 107 TYR H H 1 7.97 0.02 . 1 . . . . 107 TYR H . 17249 1 1119 . 1 1 107 107 TYR HA H 1 4.90 0.02 . 1 . . . . 107 TYR HA . 17249 1 1120 . 1 1 107 107 TYR HB2 H 1 3.17 0.02 . 2 . . . . 107 TYR HB2 . 17249 1 1121 . 1 1 107 107 TYR HB3 H 1 2.84 0.02 . 2 . . . . 107 TYR HB3 . 17249 1 1122 . 1 1 107 107 TYR HD1 H 1 7.03 0.02 . 1 . . . . 107 TYR HD1 . 17249 1 1123 . 1 1 107 107 TYR HE1 H 1 6.70 0.02 . 1 . . . . 107 TYR HE1 . 17249 1 1124 . 1 1 107 107 TYR C C 13 177.0 0.3 . 1 . . . . 107 TYR C . 17249 1 1125 . 1 1 107 107 TYR CA C 13 57.0 0.3 . 1 . . . . 107 TYR CA . 17249 1 1126 . 1 1 107 107 TYR CB C 13 40.2 0.3 . 1 . . . . 107 TYR CB . 17249 1 1127 . 1 1 107 107 TYR CD1 C 13 133.2 0.3 . 1 . . . . 107 TYR CD1 . 17249 1 1128 . 1 1 107 107 TYR CE1 C 13 118.6 0.3 . 1 . . . . 107 TYR CE1 . 17249 1 1129 . 1 1 107 107 TYR N N 15 117.8 0.3 . 1 . . . . 107 TYR N . 17249 1 1130 . 1 1 108 108 ALA H H 1 9.64 0.02 . 1 . . . . 108 ALA H . 17249 1 1131 . 1 1 108 108 ALA HA H 1 4.20 0.02 . 1 . . . . 108 ALA HA . 17249 1 1132 . 1 1 108 108 ALA HB1 H 1 1.47 0.02 . 1 . . . . 108 ALA HB . 17249 1 1133 . 1 1 108 108 ALA HB2 H 1 1.47 0.02 . 1 . . . . 108 ALA HB . 17249 1 1134 . 1 1 108 108 ALA HB3 H 1 1.47 0.02 . 1 . . . . 108 ALA HB . 17249 1 1135 . 1 1 108 108 ALA C C 13 178.1 0.3 . 1 . . . . 108 ALA C . 17249 1 1136 . 1 1 108 108 ALA CA C 13 53.2 0.3 . 1 . . . . 108 ALA CA . 17249 1 1137 . 1 1 108 108 ALA CB C 13 17.2 0.3 . 1 . . . . 108 ALA CB . 17249 1 1138 . 1 1 108 108 ALA N N 15 126.5 0.3 . 1 . . . . 108 ALA N . 17249 1 1139 . 1 1 109 109 GLY H H 1 9.15 0.02 . 1 . . . . 109 GLY H . 17249 1 1140 . 1 1 109 109 GLY HA2 H 1 4.36 0.02 . 2 . . . . 109 GLY HA2 . 17249 1 1141 . 1 1 109 109 GLY HA3 H 1 3.96 0.02 . 2 . . . . 109 GLY HA3 . 17249 1 1142 . 1 1 109 109 GLY C C 13 173.7 0.3 . 1 . . . . 109 GLY C . 17249 1 1143 . 1 1 109 109 GLY CA C 13 46.3 0.3 . 1 . . . . 109 GLY CA . 17249 1 1144 . 1 1 109 109 GLY N N 15 106.7 0.3 . 1 . . . . 109 GLY N . 17249 1 1145 . 1 1 110 110 THR H H 1 7.37 0.02 . 1 . . . . 110 THR H . 17249 1 1146 . 1 1 110 110 THR HA H 1 5.31 0.02 . 1 . . . . 110 THR HA . 17249 1 1147 . 1 1 110 110 THR HB H 1 3.85 0.02 . 1 . . . . 110 THR HB . 17249 1 1148 . 1 1 110 110 THR HG21 H 1 1.06 0.02 . 1 . . . . 110 THR HG2 . 17249 1 1149 . 1 1 110 110 THR HG22 H 1 1.06 0.02 . 1 . . . . 110 THR HG2 . 17249 1 1150 . 1 1 110 110 THR HG23 H 1 1.06 0.02 . 1 . . . . 110 THR HG2 . 17249 1 1151 . 1 1 110 110 THR C C 13 174.1 0.3 . 1 . . . . 110 THR C . 17249 1 1152 . 1 1 110 110 THR CA C 13 59.6 0.3 . 1 . . . . 110 THR CA . 17249 1 1153 . 1 1 110 110 THR CB C 13 73.2 0.3 . 1 . . . . 110 THR CB . 17249 1 1154 . 1 1 110 110 THR CG2 C 13 21.3 0.3 . 1 . . . . 110 THR CG2 . 17249 1 1155 . 1 1 110 110 THR N N 15 108.6 0.3 . 1 . . . . 110 THR N . 17249 1 1156 . 1 1 111 111 LEU H H 1 7.89 0.02 . 1 . . . . 111 LEU H . 17249 1 1157 . 1 1 111 111 LEU HA H 1 4.65 0.02 . 1 . . . . 111 LEU HA . 17249 1 1158 . 1 1 111 111 LEU HB2 H 1 1.47 0.02 . 2 . . . . 111 LEU HB2 . 17249 1 1159 . 1 1 111 111 LEU HB3 H 1 0.91 0.02 . 2 . . . . 111 LEU HB3 . 17249 1 1160 . 1 1 111 111 LEU HD11 H 1 0.59 0.02 . 1 . . . . 111 LEU HD1 . 17249 1 1161 . 1 1 111 111 LEU HD12 H 1 0.59 0.02 . 1 . . . . 111 LEU HD1 . 17249 1 1162 . 1 1 111 111 LEU HD13 H 1 0.59 0.02 . 1 . . . . 111 LEU HD1 . 17249 1 1163 . 1 1 111 111 LEU HD21 H 1 -0.26 0.02 . 1 . . . . 111 LEU HD2 . 17249 1 1164 . 1 1 111 111 LEU HD22 H 1 -0.26 0.02 . 1 . . . . 111 LEU HD2 . 17249 1 1165 . 1 1 111 111 LEU HD23 H 1 -0.26 0.02 . 1 . . . . 111 LEU HD2 . 17249 1 1166 . 1 1 111 111 LEU HG H 1 0.94 0.02 . 1 . . . . 111 LEU HG . 17249 1 1167 . 1 1 111 111 LEU C C 13 174.8 0.3 . 1 . . . . 111 LEU C . 17249 1 1168 . 1 1 111 111 LEU CA C 13 52.3 0.3 . 1 . . . . 111 LEU CA . 17249 1 1169 . 1 1 111 111 LEU CB C 13 45.7 0.3 . 1 . . . . 111 LEU CB . 17249 1 1170 . 1 1 111 111 LEU CD1 C 13 25.7 0.3 . 1 . . . . 111 LEU CD1 . 17249 1 1171 . 1 1 111 111 LEU CD2 C 13 23.2 0.3 . 1 . . . . 111 LEU CD2 . 17249 1 1172 . 1 1 111 111 LEU CG C 13 26.6 0.3 . 1 . . . . 111 LEU CG . 17249 1 1173 . 1 1 111 111 LEU N N 15 116.4 0.3 . 1 . . . . 111 LEU N . 17249 1 1174 . 1 1 112 112 ALA H H 1 9.14 0.02 . 1 . . . . 112 ALA H . 17249 1 1175 . 1 1 112 112 ALA HA H 1 5.00 0.02 . 1 . . . . 112 ALA HA . 17249 1 1176 . 1 1 112 112 ALA HB1 H 1 1.19 0.02 . 1 . . . . 112 ALA HB . 17249 1 1177 . 1 1 112 112 ALA HB2 H 1 1.19 0.02 . 1 . . . . 112 ALA HB . 17249 1 1178 . 1 1 112 112 ALA HB3 H 1 1.19 0.02 . 1 . . . . 112 ALA HB . 17249 1 1179 . 1 1 112 112 ALA C C 13 178.2 0.3 . 1 . . . . 112 ALA C . 17249 1 1180 . 1 1 112 112 ALA CA C 13 50.2 0.3 . 1 . . . . 112 ALA CA . 17249 1 1181 . 1 1 112 112 ALA CB C 13 20.5 0.3 . 1 . . . . 112 ALA CB . 17249 1 1182 . 1 1 112 112 ALA N N 15 124.9 0.3 . 1 . . . . 112 ALA N . 17249 1 1183 . 1 1 113 113 VAL H H 1 8.74 0.02 . 1 . . . . 113 VAL H . 17249 1 1184 . 1 1 113 113 VAL HA H 1 5.20 0.02 . 1 . . . . 113 VAL HA . 17249 1 1185 . 1 1 113 113 VAL HB H 1 1.99 0.02 . 1 . . . . 113 VAL HB . 17249 1 1186 . 1 1 113 113 VAL HG11 H 1 1.03 0.02 . 1 . . . . 113 VAL HG1 . 17249 1 1187 . 1 1 113 113 VAL HG12 H 1 1.03 0.02 . 1 . . . . 113 VAL HG1 . 17249 1 1188 . 1 1 113 113 VAL HG13 H 1 1.03 0.02 . 1 . . . . 113 VAL HG1 . 17249 1 1189 . 1 1 113 113 VAL HG21 H 1 0.98 0.02 . 1 . . . . 113 VAL HG2 . 17249 1 1190 . 1 1 113 113 VAL HG22 H 1 0.98 0.02 . 1 . . . . 113 VAL HG2 . 17249 1 1191 . 1 1 113 113 VAL HG23 H 1 0.98 0.02 . 1 . . . . 113 VAL HG2 . 17249 1 1192 . 1 1 113 113 VAL C C 13 176.0 0.3 . 1 . . . . 113 VAL C . 17249 1 1193 . 1 1 113 113 VAL CA C 13 60.8 0.3 . 1 . . . . 113 VAL CA . 17249 1 1194 . 1 1 113 113 VAL CB C 13 33.8 0.3 . 1 . . . . 113 VAL CB . 17249 1 1195 . 1 1 113 113 VAL CG1 C 13 22.9 0.3 . 1 . . . . 113 VAL CG1 . 17249 1 1196 . 1 1 113 113 VAL CG2 C 13 20.5 0.3 . 1 . . . . 113 VAL CG2 . 17249 1 1197 . 1 1 113 113 VAL N N 15 124.9 0.3 . 1 . . . . 113 VAL N . 17249 1 1198 . 1 1 114 114 SER H H 1 8.95 0.02 . 1 . . . . 114 SER H . 17249 1 1199 . 1 1 114 114 SER HA H 1 4.85 0.02 . 1 . . . . 114 SER HA . 17249 1 1200 . 1 1 114 114 SER HB2 H 1 3.96 0.02 . 2 . . . . 114 SER HB2 . 17249 1 1201 . 1 1 114 114 SER HB3 H 1 3.90 0.02 . 2 . . . . 114 SER HB3 . 17249 1 1202 . 1 1 114 114 SER C C 13 172.1 0.3 . 1 . . . . 114 SER C . 17249 1 1203 . 1 1 114 114 SER CA C 13 57.3 0.3 . 1 . . . . 114 SER CA . 17249 1 1204 . 1 1 114 114 SER CB C 13 65.9 0.3 . 1 . . . . 114 SER CB . 17249 1 1205 . 1 1 114 114 SER N N 15 121.8 0.3 . 1 . . . . 114 SER N . 17249 1 1206 . 1 1 115 115 VAL H H 1 8.54 0.02 . 1 . . . . 115 VAL H . 17249 1 1207 . 1 1 115 115 VAL HA H 1 5.23 0.02 . 1 . . . . 115 VAL HA . 17249 1 1208 . 1 1 115 115 VAL HB H 1 1.98 0.02 . 1 . . . . 115 VAL HB . 17249 1 1209 . 1 1 115 115 VAL HG11 H 1 1.15 0.02 . 1 . . . . 115 VAL HG1 . 17249 1 1210 . 1 1 115 115 VAL HG12 H 1 1.15 0.02 . 1 . . . . 115 VAL HG1 . 17249 1 1211 . 1 1 115 115 VAL HG13 H 1 1.15 0.02 . 1 . . . . 115 VAL HG1 . 17249 1 1212 . 1 1 115 115 VAL HG21 H 1 1.03 0.02 . 1 . . . . 115 VAL HG2 . 17249 1 1213 . 1 1 115 115 VAL HG22 H 1 1.03 0.02 . 1 . . . . 115 VAL HG2 . 17249 1 1214 . 1 1 115 115 VAL HG23 H 1 1.03 0.02 . 1 . . . . 115 VAL HG2 . 17249 1 1215 . 1 1 115 115 VAL C C 13 176.7 0.3 . 1 . . . . 115 VAL C . 17249 1 1216 . 1 1 115 115 VAL CA C 13 60.0 0.3 . 1 . . . . 115 VAL CA . 17249 1 1217 . 1 1 115 115 VAL CB C 13 35.3 0.3 . 1 . . . . 115 VAL CB . 17249 1 1218 . 1 1 115 115 VAL CG1 C 13 20.7 0.3 . 1 . . . . 115 VAL CG1 . 17249 1 1219 . 1 1 115 115 VAL CG2 C 13 21.8 0.3 . 1 . . . . 115 VAL CG2 . 17249 1 1220 . 1 1 115 115 VAL N N 15 119.3 0.3 . 1 . . . . 115 VAL N . 17249 1 1221 . 1 1 116 116 SER H H 1 9.11 0.02 . 1 . . . . 116 SER H . 17249 1 1222 . 1 1 116 116 SER HA H 1 4.50 0.02 . 1 . . . . 116 SER HA . 17249 1 1223 . 1 1 116 116 SER HB2 H 1 4.08 0.02 . 2 . . . . 116 SER HB2 . 17249 1 1224 . 1 1 116 116 SER HB3 H 1 4.06 0.02 . 2 . . . . 116 SER HB3 . 17249 1 1225 . 1 1 116 116 SER C C 13 176.3 0.3 . 1 . . . . 116 SER C . 17249 1 1226 . 1 1 116 116 SER CA C 13 58.7 0.3 . 1 . . . . 116 SER CA . 17249 1 1227 . 1 1 116 116 SER CB C 13 64.4 0.3 . 1 . . . . 116 SER CB . 17249 1 1228 . 1 1 116 116 SER N N 15 122.3 0.3 . 1 . . . . 116 SER N . 17249 1 1229 . 1 1 117 117 ASP HA H 1 4.38 0.02 . 1 . . . . 117 ASP HA . 17249 1 1230 . 1 1 117 117 ASP HB2 H 1 2.72 0.02 . 1 . . . . 117 ASP HB2 . 17249 1 1231 . 1 1 117 117 ASP C C 13 177.5 0.3 . 1 . . . . 117 ASP C . 17249 1 1232 . 1 1 117 117 ASP CA C 13 57.5 0.3 . 1 . . . . 117 ASP CA . 17249 1 1233 . 1 1 117 117 ASP CB C 13 40.1 0.3 . 1 . . . . 117 ASP CB . 17249 1 1234 . 1 1 118 118 ASP H H 1 8.06 0.02 . 1 . . . . 118 ASP H . 17249 1 1235 . 1 1 118 118 ASP HA H 1 4.56 0.02 . 1 . . . . 118 ASP HA . 17249 1 1236 . 1 1 118 118 ASP HB2 H 1 3.11 0.02 . 2 . . . . 118 ASP HB2 . 17249 1 1237 . 1 1 118 118 ASP HB3 H 1 2.68 0.02 . 2 . . . . 118 ASP HB3 . 17249 1 1238 . 1 1 118 118 ASP CA C 13 52.9 0.3 . 1 . . . . 118 ASP CA . 17249 1 1239 . 1 1 118 118 ASP CB C 13 40.5 0.3 . 1 . . . . 118 ASP CB . 17249 1 1240 . 1 1 118 118 ASP N N 15 115.0 0.3 . 1 . . . . 118 ASP N . 17249 1 1241 . 1 1 119 119 GLY H H 1 8.11 0.02 . 1 . . . . 119 GLY H . 17249 1 1242 . 1 1 119 119 GLY HA2 H 1 4.11 0.02 . 2 . . . . 119 GLY HA2 . 17249 1 1243 . 1 1 119 119 GLY HA3 H 1 3.61 0.02 . 2 . . . . 119 GLY HA3 . 17249 1 1244 . 1 1 119 119 GLY C C 13 174.9 0.3 . 1 . . . . 119 GLY C . 17249 1 1245 . 1 1 119 119 GLY CA C 13 46.0 0.3 . 1 . . . . 119 GLY CA . 17249 1 1246 . 1 1 119 119 GLY N N 15 109.4 0.3 . 1 . . . . 119 GLY N . 17249 1 1247 . 1 1 120 120 THR H H 1 7.72 0.02 . 1 . . . . 120 THR H . 17249 1 1248 . 1 1 120 120 THR HA H 1 4.22 0.02 . 1 . . . . 120 THR HA . 17249 1 1249 . 1 1 120 120 THR HB H 1 4.27 0.02 . 1 . . . . 120 THR HB . 17249 1 1250 . 1 1 120 120 THR HG21 H 1 1.07 0.02 . 1 . . . . 120 THR HG2 . 17249 1 1251 . 1 1 120 120 THR HG22 H 1 1.07 0.02 . 1 . . . . 120 THR HG2 . 17249 1 1252 . 1 1 120 120 THR HG23 H 1 1.07 0.02 . 1 . . . . 120 THR HG2 . 17249 1 1253 . 1 1 120 120 THR C C 13 175.6 0.3 . 1 . . . . 120 THR C . 17249 1 1254 . 1 1 120 120 THR CA C 13 63.0 0.3 . 1 . . . . 120 THR CA . 17249 1 1255 . 1 1 120 120 THR CB C 13 70.8 0.3 . 1 . . . . 120 THR CB . 17249 1 1256 . 1 1 120 120 THR CG2 C 13 20.9 0.3 . 1 . . . . 120 THR CG2 . 17249 1 1257 . 1 1 120 120 THR N N 15 108.0 0.3 . 1 . . . . 120 THR N . 17249 1 1258 . 1 1 121 121 ARG H H 1 7.76 0.02 . 1 . . . . 121 ARG H . 17249 1 1259 . 1 1 121 121 ARG HA H 1 5.20 0.02 . 1 . . . . 121 ARG HA . 17249 1 1260 . 1 1 121 121 ARG HB2 H 1 1.52 0.02 . 2 . . . . 121 ARG HB2 . 17249 1 1261 . 1 1 121 121 ARG HB3 H 1 1.15 0.02 . 2 . . . . 121 ARG HB3 . 17249 1 1262 . 1 1 121 121 ARG HD2 H 1 3.07 0.02 . 2 . . . . 121 ARG HD2 . 17249 1 1263 . 1 1 121 121 ARG HD3 H 1 2.81 0.02 . 2 . . . . 121 ARG HD3 . 17249 1 1264 . 1 1 121 121 ARG HG2 H 1 1.54 0.02 . 2 . . . . 121 ARG HG2 . 17249 1 1265 . 1 1 121 121 ARG HG3 H 1 1.34 0.02 . 2 . . . . 121 ARG HG3 . 17249 1 1266 . 1 1 121 121 ARG C C 13 174.3 0.3 . 1 . . . . 121 ARG C . 17249 1 1267 . 1 1 121 121 ARG CA C 13 54.9 0.3 . 1 . . . . 121 ARG CA . 17249 1 1268 . 1 1 121 121 ARG CB C 13 35.0 0.3 . 1 . . . . 121 ARG CB . 17249 1 1269 . 1 1 121 121 ARG CD C 13 43.5 0.3 . 1 . . . . 121 ARG CD . 17249 1 1270 . 1 1 121 121 ARG CG C 13 27.1 0.3 . 1 . . . . 121 ARG CG . 17249 1 1271 . 1 1 121 121 ARG N N 15 123.5 0.3 . 1 . . . . 121 ARG N . 17249 1 1272 . 1 1 122 122 THR H H 1 9.07 0.02 . 1 . . . . 122 THR H . 17249 1 1273 . 1 1 122 122 THR HA H 1 4.94 0.02 . 1 . . . . 122 THR HA . 17249 1 1274 . 1 1 122 122 THR HB H 1 3.87 0.02 . 1 . . . . 122 THR HB . 17249 1 1275 . 1 1 122 122 THR HG21 H 1 1.09 0.02 . 1 . . . . 122 THR HG2 . 17249 1 1276 . 1 1 122 122 THR HG22 H 1 1.09 0.02 . 1 . . . . 122 THR HG2 . 17249 1 1277 . 1 1 122 122 THR HG23 H 1 1.09 0.02 . 1 . . . . 122 THR HG2 . 17249 1 1278 . 1 1 122 122 THR C C 13 172.1 0.3 . 1 . . . . 122 THR C . 17249 1 1279 . 1 1 122 122 THR CA C 13 61.5 0.3 . 1 . . . . 122 THR CA . 17249 1 1280 . 1 1 122 122 THR CB C 13 71.0 0.3 . 1 . . . . 122 THR CB . 17249 1 1281 . 1 1 122 122 THR CG2 C 13 21.1 0.3 . 1 . . . . 122 THR CG2 . 17249 1 1282 . 1 1 122 122 THR N N 15 117.9 0.3 . 1 . . . . 122 THR N . 17249 1 1283 . 1 1 123 123 TYR H H 1 9.44 0.02 . 1 . . . . 123 TYR H . 17249 1 1284 . 1 1 123 123 TYR HA H 1 5.21 0.02 . 1 . . . . 123 TYR HA . 17249 1 1285 . 1 1 123 123 TYR HB2 H 1 2.76 0.02 . 2 . . . . 123 TYR HB2 . 17249 1 1286 . 1 1 123 123 TYR HB3 H 1 2.53 0.02 . 2 . . . . 123 TYR HB3 . 17249 1 1287 . 1 1 123 123 TYR HD1 H 1 7.13 0.02 . 1 . . . . 123 TYR HD1 . 17249 1 1288 . 1 1 123 123 TYR HE1 H 1 6.82 0.02 . 1 . . . . 123 TYR HE1 . 17249 1 1289 . 1 1 123 123 TYR C C 13 174.4 0.3 . 1 . . . . 123 TYR C . 17249 1 1290 . 1 1 123 123 TYR CA C 13 56.3 0.3 . 1 . . . . 123 TYR CA . 17249 1 1291 . 1 1 123 123 TYR CB C 13 40.9 0.3 . 1 . . . . 123 TYR CB . 17249 1 1292 . 1 1 123 123 TYR CD1 C 13 133.5 0.3 . 1 . . . . 123 TYR CD1 . 17249 1 1293 . 1 1 123 123 TYR CE1 C 13 118.2 0.3 . 1 . . . . 123 TYR CE1 . 17249 1 1294 . 1 1 123 123 TYR N N 15 125.1 0.3 . 1 . . . . 123 TYR N . 17249 1 1295 . 1 1 124 124 LEU H H 1 8.21 0.02 . 1 . . . . 124 LEU H . 17249 1 1296 . 1 1 124 124 LEU HA H 1 5.14 0.02 . 1 . . . . 124 LEU HA . 17249 1 1297 . 1 1 124 124 LEU HB2 H 1 1.24 0.02 . 2 . . . . 124 LEU HB2 . 17249 1 1298 . 1 1 124 124 LEU HB3 H 1 1.20 0.02 . 2 . . . . 124 LEU HB3 . 17249 1 1299 . 1 1 124 124 LEU HD11 H 1 0.63 0.02 . 1 . . . . 124 LEU HD1 . 17249 1 1300 . 1 1 124 124 LEU HD12 H 1 0.63 0.02 . 1 . . . . 124 LEU HD1 . 17249 1 1301 . 1 1 124 124 LEU HD13 H 1 0.63 0.02 . 1 . . . . 124 LEU HD1 . 17249 1 1302 . 1 1 124 124 LEU HD21 H 1 0.56 0.02 . 1 . . . . 124 LEU HD2 . 17249 1 1303 . 1 1 124 124 LEU HD22 H 1 0.56 0.02 . 1 . . . . 124 LEU HD2 . 17249 1 1304 . 1 1 124 124 LEU HD23 H 1 0.56 0.02 . 1 . . . . 124 LEU HD2 . 17249 1 1305 . 1 1 124 124 LEU HG H 1 1.29 0.02 . 1 . . . . 124 LEU HG . 17249 1 1306 . 1 1 124 124 LEU C C 13 175.6 0.3 . 1 . . . . 124 LEU C . 17249 1 1307 . 1 1 124 124 LEU CA C 13 53.9 0.3 . 1 . . . . 124 LEU CA . 17249 1 1308 . 1 1 124 124 LEU CB C 13 44.3 0.3 . 1 . . . . 124 LEU CB . 17249 1 1309 . 1 1 124 124 LEU CD1 C 13 26.3 0.3 . 1 . . . . 124 LEU CD1 . 17249 1 1310 . 1 1 124 124 LEU CD2 C 13 25.8 0.3 . 1 . . . . 124 LEU CD2 . 17249 1 1311 . 1 1 124 124 LEU CG C 13 27.7 0.3 . 1 . . . . 124 LEU CG . 17249 1 1312 . 1 1 124 124 LEU N N 15 121.5 0.3 . 1 . . . . 124 LEU N . 17249 1 1313 . 1 1 125 125 LYS H H 1 8.75 0.02 . 1 . . . . 125 LYS H . 17249 1 1314 . 1 1 125 125 LYS HA H 1 4.75 0.02 . 1 . . . . 125 LYS HA . 17249 1 1315 . 1 1 125 125 LYS HB2 H 1 1.30 0.02 . 2 . . . . 125 LYS HB2 . 17249 1 1316 . 1 1 125 125 LYS HB3 H 1 1.22 0.02 . 2 . . . . 125 LYS HB3 . 17249 1 1317 . 1 1 125 125 LYS HD2 H 1 1.44 0.02 . 2 . . . . 125 LYS HD2 . 17249 1 1318 . 1 1 125 125 LYS HD3 H 1 1.25 0.02 . 2 . . . . 125 LYS HD3 . 17249 1 1319 . 1 1 125 125 LYS HE2 H 1 2.43 0.02 . 2 . . . . 125 LYS HE2 . 17249 1 1320 . 1 1 125 125 LYS HE3 H 1 2.41 0.02 . 2 . . . . 125 LYS HE3 . 17249 1 1321 . 1 1 125 125 LYS HG2 H 1 1.16 0.02 . 2 . . . . 125 LYS HG2 . 17249 1 1322 . 1 1 125 125 LYS HG3 H 1 0.97 0.02 . 2 . . . . 125 LYS HG3 . 17249 1 1323 . 1 1 125 125 LYS CA C 13 55.5 0.3 . 1 . . . . 125 LYS CA . 17249 1 1324 . 1 1 125 125 LYS CB C 13 37.4 0.3 . 1 . . . . 125 LYS CB . 17249 1 1325 . 1 1 125 125 LYS CD C 13 29.6 0.3 . 1 . . . . 125 LYS CD . 17249 1 1326 . 1 1 125 125 LYS CE C 13 41.4 0.3 . 1 . . . . 125 LYS CE . 17249 1 1327 . 1 1 125 125 LYS CG C 13 25.0 0.3 . 1 . . . . 125 LYS CG . 17249 1 1328 . 1 1 125 125 LYS N N 15 119.6 0.3 . 1 . . . . 125 LYS N . 17249 1 1329 . 1 1 126 126 SER H H 1 8.05 0.02 . 1 . . . . 126 SER H . 17249 1 1330 . 1 1 126 126 SER HA H 1 4.64 0.02 . 1 . . . . 126 SER HA . 17249 1 1331 . 1 1 126 126 SER HB2 H 1 3.87 0.02 . 2 . . . . 126 SER HB2 . 17249 1 1332 . 1 1 126 126 SER HB3 H 1 3.66 0.02 . 2 . . . . 126 SER HB3 . 17249 1 1333 . 1 1 126 126 SER C C 13 174.9 0.3 . 1 . . . . 126 SER C . 17249 1 1334 . 1 1 126 126 SER CA C 13 55.4 0.3 . 1 . . . . 126 SER CA . 17249 1 1335 . 1 1 126 126 SER CB C 13 64.8 0.3 . 1 . . . . 126 SER CB . 17249 1 1336 . 1 1 126 126 SER N N 15 114.6 0.3 . 1 . . . . 126 SER N . 17249 1 1337 . 1 1 127 127 TYR H H 1 9.12 0.02 . 1 . . . . 127 TYR H . 17249 1 1338 . 1 1 127 127 TYR HA H 1 4.65 0.02 . 1 . . . . 127 TYR HA . 17249 1 1339 . 1 1 127 127 TYR HB2 H 1 1.23 0.02 . 2 . . . . 127 TYR HB2 . 17249 1 1340 . 1 1 127 127 TYR HB3 H 1 1.21 0.02 . 2 . . . . 127 TYR HB3 . 17249 1 1341 . 1 1 127 127 TYR HD1 H 1 6.91 0.02 . 1 . . . . 127 TYR HD1 . 17249 1 1342 . 1 1 127 127 TYR HE1 H 1 6.63 0.02 . 1 . . . . 127 TYR HE1 . 17249 1 1343 . 1 1 127 127 TYR C C 13 176.2 0.3 . 1 . . . . 127 TYR C . 17249 1 1344 . 1 1 127 127 TYR CA C 13 57.4 0.3 . 1 . . . . 127 TYR CA . 17249 1 1345 . 1 1 127 127 TYR CB C 13 37.7 0.3 . 1 . . . . 127 TYR CB . 17249 1 1346 . 1 1 127 127 TYR CD1 C 13 131.0 0.3 . 1 . . . . 127 TYR CD1 . 17249 1 1347 . 1 1 127 127 TYR CE1 C 13 117.7 0.3 . 1 . . . . 127 TYR CE1 . 17249 1 1348 . 1 1 127 127 TYR N N 15 125.2 0.3 . 1 . . . . 127 TYR N . 17249 1 1349 . 1 1 128 128 GLU H H 1 8.37 0.02 . 1 . . . . 128 GLU H . 17249 1 1350 . 1 1 128 128 GLU HA H 1 4.54 0.02 . 1 . . . . 128 GLU HA . 17249 1 1351 . 1 1 128 128 GLU HB2 H 1 2.23 0.02 . 2 . . . . 128 GLU HB2 . 17249 1 1352 . 1 1 128 128 GLU HB3 H 1 2.07 0.02 . 2 . . . . 128 GLU HB3 . 17249 1 1353 . 1 1 128 128 GLU HG3 H 1 2.39 0.02 . 1 . . . . 128 GLU HG3 . 17249 1 1354 . 1 1 128 128 GLU C C 13 176.4 0.3 . 1 . . . . 128 GLU C . 17249 1 1355 . 1 1 128 128 GLU CA C 13 56.7 0.3 . 1 . . . . 128 GLU CA . 17249 1 1356 . 1 1 128 128 GLU CB C 13 30.5 0.3 . 1 . . . . 128 GLU CB . 17249 1 1357 . 1 1 128 128 GLU CG C 13 34.0 0.3 . 1 . . . . 128 GLU CG . 17249 1 1358 . 1 1 128 128 GLU N N 15 122.5 0.3 . 1 . . . . 128 GLU N . 17249 1 1359 . 1 1 129 129 THR H H 1 8.42 0.02 . 1 . . . . 129 THR H . 17249 1 1360 . 1 1 129 129 THR HA H 1 4.96 0.02 . 1 . . . . 129 THR HA . 17249 1 1361 . 1 1 129 129 THR HB H 1 4.11 0.02 . 1 . . . . 129 THR HB . 17249 1 1362 . 1 1 129 129 THR HG21 H 1 1.11 0.02 . 1 . . . . 129 THR HG2 . 17249 1 1363 . 1 1 129 129 THR HG22 H 1 1.11 0.02 . 1 . . . . 129 THR HG2 . 17249 1 1364 . 1 1 129 129 THR HG23 H 1 1.11 0.02 . 1 . . . . 129 THR HG2 . 17249 1 1365 . 1 1 129 129 THR C C 13 175.6 0.3 . 1 . . . . 129 THR C . 17249 1 1366 . 1 1 129 129 THR CA C 13 59.5 0.3 . 1 . . . . 129 THR CA . 17249 1 1367 . 1 1 129 129 THR CB C 13 71.5 0.3 . 1 . . . . 129 THR CB . 17249 1 1368 . 1 1 129 129 THR CG2 C 13 21.6 0.3 . 1 . . . . 129 THR CG2 . 17249 1 1369 . 1 1 129 129 THR N N 15 114.9 0.3 . 1 . . . . 129 THR N . 17249 1 1370 . 1 1 130 130 ASP H H 1 8.16 0.02 . 1 . . . . 130 ASP H . 17249 1 1371 . 1 1 130 130 ASP HA H 1 4.82 0.02 . 1 . . . . 130 ASP HA . 17249 1 1372 . 1 1 130 130 ASP HB2 H 1 2.93 0.02 . 2 . . . . 130 ASP HB2 . 17249 1 1373 . 1 1 130 130 ASP HB3 H 1 2.80 0.02 . 2 . . . . 130 ASP HB3 . 17249 1 1374 . 1 1 130 130 ASP C C 13 178.7 0.3 . 1 . . . . 130 ASP C . 17249 1 1375 . 1 1 130 130 ASP CA C 13 52.2 0.3 . 1 . . . . 130 ASP CA . 17249 1 1376 . 1 1 130 130 ASP CB C 13 41.2 0.3 . 1 . . . . 130 ASP CB . 17249 1 1377 . 1 1 130 130 ASP N N 15 122.7 0.3 . 1 . . . . 130 ASP N . 17249 1 1378 . 1 1 131 131 ALA H H 1 8.44 0.02 . 1 . . . . 131 ALA H . 17249 1 1379 . 1 1 131 131 ALA HA H 1 4.20 0.02 . 1 . . . . 131 ALA HA . 17249 1 1380 . 1 1 131 131 ALA HB1 H 1 1.50 0.02 . 1 . . . . 131 ALA HB . 17249 1 1381 . 1 1 131 131 ALA HB2 H 1 1.50 0.02 . 1 . . . . 131 ALA HB . 17249 1 1382 . 1 1 131 131 ALA HB3 H 1 1.50 0.02 . 1 . . . . 131 ALA HB . 17249 1 1383 . 1 1 131 131 ALA C C 13 178.8 0.3 . 1 . . . . 131 ALA C . 17249 1 1384 . 1 1 131 131 ALA CA C 13 54.8 0.3 . 1 . . . . 131 ALA CA . 17249 1 1385 . 1 1 131 131 ALA CB C 13 18.3 0.3 . 1 . . . . 131 ALA CB . 17249 1 1386 . 1 1 131 131 ALA N N 15 121.2 0.3 . 1 . . . . 131 ALA N . 17249 1 1387 . 1 1 132 132 GLU H H 1 8.03 0.02 . 1 . . . . 132 GLU H . 17249 1 1388 . 1 1 132 132 GLU HA H 1 4.47 0.02 . 1 . . . . 132 GLU HA . 17249 1 1389 . 1 1 132 132 GLU HB2 H 1 2.29 0.02 . 2 . . . . 132 GLU HB2 . 17249 1 1390 . 1 1 132 132 GLU HB3 H 1 1.99 0.02 . 2 . . . . 132 GLU HB3 . 17249 1 1391 . 1 1 132 132 GLU HG2 H 1 2.23 0.02 . 2 . . . . 132 GLU HG2 . 17249 1 1392 . 1 1 132 132 GLU HG3 H 1 2.07 0.02 . 2 . . . . 132 GLU HG3 . 17249 1 1393 . 1 1 132 132 GLU C C 13 176.8 0.3 . 1 . . . . 132 GLU C . 17249 1 1394 . 1 1 132 132 GLU CA C 13 55.7 0.3 . 1 . . . . 132 GLU CA . 17249 1 1395 . 1 1 132 132 GLU CB C 13 29.5 0.3 . 1 . . . . 132 GLU CB . 17249 1 1396 . 1 1 132 132 GLU CG C 13 36.4 0.3 . 1 . . . . 132 GLU CG . 17249 1 1397 . 1 1 132 132 GLU N N 15 116.8 0.3 . 1 . . . . 132 GLU N . 17249 1 1398 . 1 1 133 133 GLY H H 1 8.16 0.02 . 1 . . . . 133 GLY H . 17249 1 1399 . 1 1 133 133 GLY HA2 H 1 4.28 0.02 . 2 . . . . 133 GLY HA2 . 17249 1 1400 . 1 1 133 133 GLY HA3 H 1 3.75 0.02 . 2 . . . . 133 GLY HA3 . 17249 1 1401 . 1 1 133 133 GLY C C 13 174.5 0.3 . 1 . . . . 133 GLY C . 17249 1 1402 . 1 1 133 133 GLY CA C 13 46.0 0.3 . 1 . . . . 133 GLY CA . 17249 1 1403 . 1 1 133 133 GLY N N 15 108.9 0.3 . 1 . . . . 133 GLY N . 17249 1 1404 . 1 1 134 134 ARG H H 1 8.74 0.02 . 1 . . . . 134 ARG H . 17249 1 1405 . 1 1 134 134 ARG HA H 1 4.98 0.02 . 1 . . . . 134 ARG HA . 17249 1 1406 . 1 1 134 134 ARG HB2 H 1 2.23 0.02 . 2 . . . . 134 ARG HB2 . 17249 1 1407 . 1 1 134 134 ARG HB3 H 1 1.57 0.02 . 2 . . . . 134 ARG HB3 . 17249 1 1408 . 1 1 134 134 ARG HD2 H 1 3.33 0.02 . 2 . . . . 134 ARG HD2 . 17249 1 1409 . 1 1 134 134 ARG HD3 H 1 2.76 0.02 . 2 . . . . 134 ARG HD3 . 17249 1 1410 . 1 1 134 134 ARG HG3 H 1 1.46 0.02 . 1 . . . . 134 ARG HG3 . 17249 1 1411 . 1 1 134 134 ARG C C 13 177.3 0.3 . 1 . . . . 134 ARG C . 17249 1 1412 . 1 1 134 134 ARG CA C 13 55.8 0.3 . 1 . . . . 134 ARG CA . 17249 1 1413 . 1 1 134 134 ARG CB C 13 31.5 0.3 . 1 . . . . 134 ARG CB . 17249 1 1414 . 1 1 134 134 ARG CD C 13 43.4 0.3 . 1 . . . . 134 ARG CD . 17249 1 1415 . 1 1 134 134 ARG CG C 13 26.8 0.3 . 1 . . . . 134 ARG CG . 17249 1 1416 . 1 1 134 134 ARG N N 15 122.4 0.3 . 1 . . . . 134 ARG N . 17249 1 1417 . 1 1 135 135 SER H H 1 9.21 0.02 . 1 . . . . 135 SER H . 17249 1 1418 . 1 1 135 135 SER HA H 1 5.02 0.02 . 1 . . . . 135 SER HA . 17249 1 1419 . 1 1 135 135 SER HB2 H 1 3.83 0.02 . 2 . . . . 135 SER HB2 . 17249 1 1420 . 1 1 135 135 SER HB3 H 1 3.65 0.02 . 2 . . . . 135 SER HB3 . 17249 1 1421 . 1 1 135 135 SER C C 13 172.8 0.3 . 1 . . . . 135 SER C . 17249 1 1422 . 1 1 135 135 SER CA C 13 57.1 0.3 . 1 . . . . 135 SER CA . 17249 1 1423 . 1 1 135 135 SER CB C 13 66.8 0.3 . 1 . . . . 135 SER CB . 17249 1 1424 . 1 1 135 135 SER N N 15 118.4 0.3 . 1 . . . . 135 SER N . 17249 1 1425 . 1 1 136 136 PHE H H 1 9.11 0.02 . 1 . . . . 136 PHE H . 17249 1 1426 . 1 1 136 136 PHE HA H 1 5.10 0.02 . 1 . . . . 136 PHE HA . 17249 1 1427 . 1 1 136 136 PHE HB2 H 1 3.24 0.02 . 2 . . . . 136 PHE HB2 . 17249 1 1428 . 1 1 136 136 PHE HB3 H 1 2.89 0.02 . 2 . . . . 136 PHE HB3 . 17249 1 1429 . 1 1 136 136 PHE C C 13 174.1 0.3 . 1 . . . . 136 PHE C . 17249 1 1430 . 1 1 136 136 PHE CA C 13 58.4 0.3 . 1 . . . . 136 PHE CA . 17249 1 1431 . 1 1 136 136 PHE CB C 13 41.3 0.3 . 1 . . . . 136 PHE CB . 17249 1 1432 . 1 1 136 136 PHE N N 15 124.7 0.3 . 1 . . . . 136 PHE N . 17249 1 1433 . 1 1 137 137 GLU H H 1 7.57 0.02 . 1 . . . . 137 GLU H . 17249 1 1434 . 1 1 137 137 GLU HA H 1 4.62 0.02 . 1 . . . . 137 GLU HA . 17249 1 1435 . 1 1 137 137 GLU HB2 H 1 1.89 0.02 . 2 . . . . 137 GLU HB2 . 17249 1 1436 . 1 1 137 137 GLU HB3 H 1 1.51 0.02 . 2 . . . . 137 GLU HB3 . 17249 1 1437 . 1 1 137 137 GLU HG2 H 1 1.68 0.02 . 2 . . . . 137 GLU HG2 . 17249 1 1438 . 1 1 137 137 GLU HG3 H 1 1.79 0.02 . 2 . . . . 137 GLU HG3 . 17249 1 1439 . 1 1 137 137 GLU C C 13 173.1 0.3 . 1 . . . . 137 GLU C . 17249 1 1440 . 1 1 137 137 GLU CA C 13 55.2 0.3 . 1 . . . . 137 GLU CA . 17249 1 1441 . 1 1 137 137 GLU CB C 13 34.5 0.3 . 1 . . . . 137 GLU CB . 17249 1 1442 . 1 1 137 137 GLU CG C 13 37.4 0.3 . 1 . . . . 137 GLU CG . 17249 1 1443 . 1 1 137 137 GLU N N 15 126.5 0.3 . 1 . . . . 137 GLU N . 17249 1 1444 . 1 1 138 138 VAL H H 1 8.38 0.02 . 1 . . . . 138 VAL H . 17249 1 1445 . 1 1 138 138 VAL HA H 1 3.96 0.02 . 1 . . . . 138 VAL HA . 17249 1 1446 . 1 1 138 138 VAL HB H 1 1.24 0.02 . 1 . . . . 138 VAL HB . 17249 1 1447 . 1 1 138 138 VAL HG11 H 1 0.51 0.02 . 1 . . . . 138 VAL HG1 . 17249 1 1448 . 1 1 138 138 VAL HG12 H 1 0.51 0.02 . 1 . . . . 138 VAL HG1 . 17249 1 1449 . 1 1 138 138 VAL HG13 H 1 0.51 0.02 . 1 . . . . 138 VAL HG1 . 17249 1 1450 . 1 1 138 138 VAL HG21 H 1 0.40 0.02 . 1 . . . . 138 VAL HG2 . 17249 1 1451 . 1 1 138 138 VAL HG22 H 1 0.40 0.02 . 1 . . . . 138 VAL HG2 . 17249 1 1452 . 1 1 138 138 VAL HG23 H 1 0.40 0.02 . 1 . . . . 138 VAL HG2 . 17249 1 1453 . 1 1 138 138 VAL C C 13 172.1 0.3 . 1 . . . . 138 VAL C . 17249 1 1454 . 1 1 138 138 VAL CA C 13 60.9 0.3 . 1 . . . . 138 VAL CA . 17249 1 1455 . 1 1 138 138 VAL CB C 13 34.9 0.3 . 1 . . . . 138 VAL CB . 17249 1 1456 . 1 1 138 138 VAL CG1 C 13 20.8 0.3 . 1 . . . . 138 VAL CG1 . 17249 1 1457 . 1 1 138 138 VAL CG2 C 13 22.8 0.3 . 1 . . . . 138 VAL CG2 . 17249 1 1458 . 1 1 138 138 VAL N N 15 123.0 0.3 . 1 . . . . 138 VAL N . 17249 1 1459 . 1 1 139 139 SER H H 1 8.02 0.02 . 1 . . . . 139 SER H . 17249 1 1460 . 1 1 139 139 SER HA H 1 5.27 0.02 . 1 . . . . 139 SER HA . 17249 1 1461 . 1 1 139 139 SER HB2 H 1 3.52 0.02 . 1 . . . . 139 SER HB2 . 17249 1 1462 . 1 1 139 139 SER C C 13 172.4 0.3 . 1 . . . . 139 SER C . 17249 1 1463 . 1 1 139 139 SER CA C 13 56.3 0.3 . 1 . . . . 139 SER CA . 17249 1 1464 . 1 1 139 139 SER CB C 13 66.6 0.3 . 1 . . . . 139 SER CB . 17249 1 1465 . 1 1 139 139 SER N N 15 120.2 0.3 . 1 . . . . 139 SER N . 17249 1 1466 . 1 1 140 140 LEU H H 1 9.35 0.02 . 1 . . . . 140 LEU H . 17249 1 1467 . 1 1 140 140 LEU HA H 1 5.03 0.02 . 1 . . . . 140 LEU HA . 17249 1 1468 . 1 1 140 140 LEU HB2 H 1 1.62 0.02 . 2 . . . . 140 LEU HB2 . 17249 1 1469 . 1 1 140 140 LEU HB3 H 1 1.42 0.02 . 2 . . . . 140 LEU HB3 . 17249 1 1470 . 1 1 140 140 LEU HD11 H 1 0.37 0.02 . 1 . . . . 140 LEU HD1 . 17249 1 1471 . 1 1 140 140 LEU HD12 H 1 0.37 0.02 . 1 . . . . 140 LEU HD1 . 17249 1 1472 . 1 1 140 140 LEU HD13 H 1 0.37 0.02 . 1 . . . . 140 LEU HD1 . 17249 1 1473 . 1 1 140 140 LEU HD21 H 1 0.08 0.02 . 1 . . . . 140 LEU HD2 . 17249 1 1474 . 1 1 140 140 LEU HD22 H 1 0.08 0.02 . 1 . . . . 140 LEU HD2 . 17249 1 1475 . 1 1 140 140 LEU HD23 H 1 0.08 0.02 . 1 . . . . 140 LEU HD2 . 17249 1 1476 . 1 1 140 140 LEU HG H 1 1.28 0.02 . 1 . . . . 140 LEU HG . 17249 1 1477 . 1 1 140 140 LEU C C 13 175.5 0.3 . 1 . . . . 140 LEU C . 17249 1 1478 . 1 1 140 140 LEU CA C 13 53.9 0.3 . 1 . . . . 140 LEU CA . 17249 1 1479 . 1 1 140 140 LEU CB C 13 44.4 0.3 . 1 . . . . 140 LEU CB . 17249 1 1480 . 1 1 140 140 LEU CD1 C 13 25.3 0.3 . 1 . . . . 140 LEU CD1 . 17249 1 1481 . 1 1 140 140 LEU CD2 C 13 26.9 0.3 . 1 . . . . 140 LEU CD2 . 17249 1 1482 . 1 1 140 140 LEU CG C 13 28.5 0.3 . 1 . . . . 140 LEU CG . 17249 1 1483 . 1 1 140 140 LEU N N 15 123.5 0.3 . 1 . . . . 140 LEU N . 17249 1 1484 . 1 1 141 141 GLN H H 1 8.12 0.02 . 1 . . . . 141 GLN H . 17249 1 1485 . 1 1 141 141 GLN HA H 1 4.34 0.02 . 1 . . . . 141 GLN HA . 17249 1 1486 . 1 1 141 141 GLN HB2 H 1 2.37 0.02 . 2 . . . . 141 GLN HB2 . 17249 1 1487 . 1 1 141 141 GLN HB3 H 1 2.11 0.02 . 2 . . . . 141 GLN HB3 . 17249 1 1488 . 1 1 141 141 GLN HE21 H 1 6.95 0.02 . 1 . . . . 141 GLN HE21 . 17249 1 1489 . 1 1 141 141 GLN HE22 H 1 7.75 0.02 . 1 . . . . 141 GLN HE22 . 17249 1 1490 . 1 1 141 141 GLN HG2 H 1 2.54 0.02 . 2 . . . . 141 GLN HG2 . 17249 1 1491 . 1 1 141 141 GLN HG3 H 1 2.37 0.02 . 2 . . . . 141 GLN HG3 . 17249 1 1492 . 1 1 141 141 GLN C C 13 176.1 0.3 . 1 . . . . 141 GLN C . 17249 1 1493 . 1 1 141 141 GLN CA C 13 57.7 0.3 . 1 . . . . 141 GLN CA . 17249 1 1494 . 1 1 141 141 GLN CB C 13 29.1 0.3 . 1 . . . . 141 GLN CB . 17249 1 1495 . 1 1 141 141 GLN CG C 13 34.1 0.3 . 1 . . . . 141 GLN CG . 17249 1 1496 . 1 1 141 141 GLN N N 15 122.4 0.3 . 1 . . . . 141 GLN N . 17249 1 1497 . 1 1 141 141 GLN NE2 N 15 112.9 0.3 . 1 . . . . 141 GLN NE2 . 17249 1 1498 . 1 1 142 142 GLY H H 1 8.53 0.02 . 1 . . . . 142 GLY H . 17249 1 1499 . 1 1 142 142 GLY HA2 H 1 4.26 0.02 . 2 . . . . 142 GLY HA2 . 17249 1 1500 . 1 1 142 142 GLY HA3 H 1 3.53 0.02 . 2 . . . . 142 GLY HA3 . 17249 1 1501 . 1 1 142 142 GLY C C 13 171.4 0.3 . 1 . . . . 142 GLY C . 17249 1 1502 . 1 1 142 142 GLY CA C 13 43.7 0.3 . 1 . . . . 142 GLY CA . 17249 1 1503 . 1 1 142 142 GLY N N 15 117.1 0.3 . 1 . . . . 142 GLY N . 17249 1 1504 . 1 1 143 143 ASN H H 1 8.03 0.02 . 1 . . . . 143 ASN H . 17249 1 1505 . 1 1 143 143 ASN HA H 1 4.35 0.02 . 1 . . . . 143 ASN HA . 17249 1 1506 . 1 1 143 143 ASN HB2 H 1 2.94 0.02 . 2 . . . . 143 ASN HB2 . 17249 1 1507 . 1 1 143 143 ASN HB3 H 1 2.68 0.02 . 2 . . . . 143 ASN HB3 . 17249 1 1508 . 1 1 143 143 ASN HD21 H 1 6.90 0.02 . 1 . . . . 143 ASN HD21 . 17249 1 1509 . 1 1 143 143 ASN HD22 H 1 7.62 0.02 . 1 . . . . 143 ASN HD22 . 17249 1 1510 . 1 1 143 143 ASN C C 13 175.5 0.3 . 1 . . . . 143 ASN C . 17249 1 1511 . 1 1 143 143 ASN CA C 13 51.0 0.3 . 1 . . . . 143 ASN CA . 17249 1 1512 . 1 1 143 143 ASN CB C 13 37.2 0.3 . 1 . . . . 143 ASN CB . 17249 1 1513 . 1 1 143 143 ASN N N 15 116.1 0.3 . 1 . . . . 143 ASN N . 17249 1 1514 . 1 1 143 143 ASN ND2 N 15 110.1 0.3 . 1 . . . . 143 ASN ND2 . 17249 1 1515 . 1 1 144 144 HIS H H 1 8.49 0.02 . 1 . . . . 144 HIS H . 17249 1 1516 . 1 1 144 144 HIS HA H 1 5.00 0.02 . 1 . . . . 144 HIS HA . 17249 1 1517 . 1 1 144 144 HIS HB2 H 1 3.44 0.02 . 2 . . . . 144 HIS HB2 . 17249 1 1518 . 1 1 144 144 HIS HB3 H 1 2.19 0.02 . 2 . . . . 144 HIS HB3 . 17249 1 1519 . 1 1 144 144 HIS HD2 H 1 6.44 0.02 . 1 . . . . 144 HIS HD2 . 17249 1 1520 . 1 1 144 144 HIS HE1 H 1 6.05 0.02 . 1 . . . . 144 HIS HE1 . 17249 1 1521 . 1 1 144 144 HIS C C 13 176.9 0.3 . 1 . . . . 144 HIS C . 17249 1 1522 . 1 1 144 144 HIS CA C 13 54.8 0.3 . 1 . . . . 144 HIS CA . 17249 1 1523 . 1 1 144 144 HIS CB C 13 33.3 0.3 . 1 . . . . 144 HIS CB . 17249 1 1524 . 1 1 144 144 HIS CD2 C 13 117.5 0.3 . 1 . . . . 144 HIS CD2 . 17249 1 1525 . 1 1 144 144 HIS CE1 C 13 129.6 0.3 . 1 . . . . 144 HIS CE1 . 17249 1 1526 . 1 1 144 144 HIS N N 15 121.5 0.3 . 1 . . . . 144 HIS N . 17249 1 1527 . 1 1 145 145 ALA H H 1 7.42 0.02 . 1 . . . . 145 ALA H . 17249 1 1528 . 1 1 145 145 ALA HA H 1 3.77 0.02 . 1 . . . . 145 ALA HA . 17249 1 1529 . 1 1 145 145 ALA HB1 H 1 1.40 0.02 . 1 . . . . 145 ALA HB . 17249 1 1530 . 1 1 145 145 ALA HB2 H 1 1.40 0.02 . 1 . . . . 145 ALA HB . 17249 1 1531 . 1 1 145 145 ALA HB3 H 1 1.40 0.02 . 1 . . . . 145 ALA HB . 17249 1 1532 . 1 1 145 145 ALA C C 13 178.7 0.3 . 1 . . . . 145 ALA C . 17249 1 1533 . 1 1 145 145 ALA CA C 13 56.4 0.3 . 1 . . . . 145 ALA CA . 17249 1 1534 . 1 1 145 145 ALA CB C 13 18.8 0.3 . 1 . . . . 145 ALA CB . 17249 1 1535 . 1 1 145 145 ALA N N 15 122.8 0.3 . 1 . . . . 145 ALA N . 17249 1 1536 . 1 1 146 146 ALA H H 1 8.58 0.02 . 1 . . . . 146 ALA H . 17249 1 1537 . 1 1 146 146 ALA HA H 1 4.36 0.02 . 1 . . . . 146 ALA HA . 17249 1 1538 . 1 1 146 146 ALA HB1 H 1 1.40 0.02 . 1 . . . . 146 ALA HB . 17249 1 1539 . 1 1 146 146 ALA HB2 H 1 1.40 0.02 . 1 . . . . 146 ALA HB . 17249 1 1540 . 1 1 146 146 ALA HB3 H 1 1.40 0.02 . 1 . . . . 146 ALA HB . 17249 1 1541 . 1 1 146 146 ALA C C 13 177.9 0.3 . 1 . . . . 146 ALA C . 17249 1 1542 . 1 1 146 146 ALA CA C 13 53.1 0.3 . 1 . . . . 146 ALA CA . 17249 1 1543 . 1 1 146 146 ALA CB C 13 18.4 0.3 . 1 . . . . 146 ALA CB . 17249 1 1544 . 1 1 146 146 ALA N N 15 117.3 0.3 . 1 . . . . 146 ALA N . 17249 1 1545 . 1 1 147 147 ALA H H 1 7.58 0.02 . 1 . . . . 147 ALA H . 17249 1 1546 . 1 1 147 147 ALA HA H 1 4.54 0.02 . 1 . . . . 147 ALA HA . 17249 1 1547 . 1 1 147 147 ALA HB1 H 1 1.56 0.02 . 1 . . . . 147 ALA HB . 17249 1 1548 . 1 1 147 147 ALA HB2 H 1 1.56 0.02 . 1 . . . . 147 ALA HB . 17249 1 1549 . 1 1 147 147 ALA HB3 H 1 1.56 0.02 . 1 . . . . 147 ALA HB . 17249 1 1550 . 1 1 147 147 ALA C C 13 178.3 0.3 . 1 . . . . 147 ALA C . 17249 1 1551 . 1 1 147 147 ALA CA C 13 51.8 0.3 . 1 . . . . 147 ALA CA . 17249 1 1552 . 1 1 147 147 ALA CB C 13 21.2 0.3 . 1 . . . . 147 ALA CB . 17249 1 1553 . 1 1 147 147 ALA N N 15 119.7 0.3 . 1 . . . . 147 ALA N . 17249 1 1554 . 1 1 148 148 LEU H H 1 7.12 0.02 . 1 . . . . 148 LEU H . 17249 1 1555 . 1 1 148 148 LEU HA H 1 5.04 0.02 . 1 . . . . 148 LEU HA . 17249 1 1556 . 1 1 148 148 LEU HB2 H 1 1.86 0.02 . 2 . . . . 148 LEU HB2 . 17249 1 1557 . 1 1 148 148 LEU HB3 H 1 1.38 0.02 . 2 . . . . 148 LEU HB3 . 17249 1 1558 . 1 1 148 148 LEU HD11 H 1 0.69 0.02 . 1 . . . . 148 LEU HD1 . 17249 1 1559 . 1 1 148 148 LEU HD12 H 1 0.69 0.02 . 1 . . . . 148 LEU HD1 . 17249 1 1560 . 1 1 148 148 LEU HD13 H 1 0.69 0.02 . 1 . . . . 148 LEU HD1 . 17249 1 1561 . 1 1 148 148 LEU HD21 H 1 0.67 0.02 . 1 . . . . 148 LEU HD2 . 17249 1 1562 . 1 1 148 148 LEU HD22 H 1 0.67 0.02 . 1 . . . . 148 LEU HD2 . 17249 1 1563 . 1 1 148 148 LEU HD23 H 1 0.67 0.02 . 1 . . . . 148 LEU HD2 . 17249 1 1564 . 1 1 148 148 LEU HG H 1 2.05 0.02 . 1 . . . . 148 LEU HG . 17249 1 1565 . 1 1 148 148 LEU C C 13 176.1 0.3 . 1 . . . . 148 LEU C . 17249 1 1566 . 1 1 148 148 LEU CA C 13 55.3 0.3 . 1 . . . . 148 LEU CA . 17249 1 1567 . 1 1 148 148 LEU CB C 13 42.2 0.3 . 1 . . . . 148 LEU CB . 17249 1 1568 . 1 1 148 148 LEU CD1 C 13 26.9 0.3 . 1 . . . . 148 LEU CD1 . 17249 1 1569 . 1 1 148 148 LEU CD2 C 13 22.9 0.3 . 1 . . . . 148 LEU CD2 . 17249 1 1570 . 1 1 148 148 LEU CG C 13 26.4 0.3 . 1 . . . . 148 LEU CG . 17249 1 1571 . 1 1 148 148 LEU N N 15 121.4 0.3 . 1 . . . . 148 LEU N . 17249 1 1572 . 1 1 149 149 SER H H 1 9.47 0.02 . 1 . . . . 149 SER H . 17249 1 1573 . 1 1 149 149 SER HA H 1 4.75 0.02 . 1 . . . . 149 SER HA . 17249 1 1574 . 1 1 149 149 SER HB2 H 1 4.25 0.02 . 2 . . . . 149 SER HB2 . 17249 1 1575 . 1 1 149 149 SER HB3 H 1 4.04 0.02 . 2 . . . . 149 SER HB3 . 17249 1 1576 . 1 1 149 149 SER C C 13 173.5 0.3 . 1 . . . . 149 SER C . 17249 1 1577 . 1 1 149 149 SER CA C 13 57.7 0.3 . 1 . . . . 149 SER CA . 17249 1 1578 . 1 1 149 149 SER CB C 13 66.7 0.3 . 1 . . . . 149 SER CB . 17249 1 1579 . 1 1 149 149 SER N N 15 119.4 0.3 . 1 . . . . 149 SER N . 17249 1 1580 . 1 1 150 150 ALA H H 1 8.85 0.02 . 1 . . . . 150 ALA H . 17249 1 1581 . 1 1 150 150 ALA HA H 1 4.98 0.02 . 1 . . . . 150 ALA HA . 17249 1 1582 . 1 1 150 150 ALA HB1 H 1 1.76 0.02 . 1 . . . . 150 ALA HB . 17249 1 1583 . 1 1 150 150 ALA HB2 H 1 1.76 0.02 . 1 . . . . 150 ALA HB . 17249 1 1584 . 1 1 150 150 ALA HB3 H 1 1.76 0.02 . 1 . . . . 150 ALA HB . 17249 1 1585 . 1 1 150 150 ALA C C 13 177.0 0.3 . 1 . . . . 150 ALA C . 17249 1 1586 . 1 1 150 150 ALA CA C 13 53.7 0.3 . 1 . . . . 150 ALA CA . 17249 1 1587 . 1 1 150 150 ALA CB C 13 18.2 0.3 . 1 . . . . 150 ALA CB . 17249 1 1588 . 1 1 150 150 ALA N N 15 120.3 0.3 . 1 . . . . 150 ALA N . 17249 1 1589 . 1 1 151 151 ASP H H 1 8.48 0.02 . 1 . . . . 151 ASP H . 17249 1 1590 . 1 1 151 151 ASP HA H 1 4.63 0.02 . 1 . . . . 151 ASP HA . 17249 1 1591 . 1 1 151 151 ASP HB2 H 1 2.69 0.02 . 2 . . . . 151 ASP HB2 . 17249 1 1592 . 1 1 151 151 ASP HB3 H 1 2.45 0.02 . 2 . . . . 151 ASP HB3 . 17249 1 1593 . 1 1 151 151 ASP C C 13 177.4 0.3 . 1 . . . . 151 ASP C . 17249 1 1594 . 1 1 151 151 ASP CA C 13 56.5 0.3 . 1 . . . . 151 ASP CA . 17249 1 1595 . 1 1 151 151 ASP CB C 13 41.3 0.3 . 1 . . . . 151 ASP CB . 17249 1 1596 . 1 1 151 151 ASP N N 15 116.1 0.3 . 1 . . . . 151 ASP N . 17249 1 1597 . 1 1 152 152 ASN H H 1 7.63 0.02 . 1 . . . . 152 ASN H . 17249 1 1598 . 1 1 152 152 ASN HA H 1 4.85 0.02 . 1 . . . . 152 ASN HA . 17249 1 1599 . 1 1 152 152 ASN HB2 H 1 2.92 0.02 . 1 . . . . 152 ASN HB2 . 17249 1 1600 . 1 1 152 152 ASN HD21 H 1 6.96 0.02 . 1 . . . . 152 ASN HD21 . 17249 1 1601 . 1 1 152 152 ASN HD22 H 1 7.70 0.02 . 1 . . . . 152 ASN HD22 . 17249 1 1602 . 1 1 152 152 ASN CA C 13 52.3 0.3 . 1 . . . . 152 ASN CA . 17249 1 1603 . 1 1 152 152 ASN CB C 13 39.0 0.3 . 1 . . . . 152 ASN CB . 17249 1 1604 . 1 1 152 152 ASN N N 15 114.1 0.3 . 1 . . . . 152 ASN N . 17249 1 1605 . 1 1 152 152 ASN ND2 N 15 113.9 0.3 . 1 . . . . 152 ASN ND2 . 17249 1 1606 . 1 1 153 153 ILE H H 1 7.57 0.02 . 1 . . . . 153 ILE H . 17249 1 1607 . 1 1 153 153 ILE HA H 1 4.65 0.02 . 1 . . . . 153 ILE HA . 17249 1 1608 . 1 1 153 153 ILE HB H 1 1.27 0.02 . 1 . . . . 153 ILE HB . 17249 1 1609 . 1 1 153 153 ILE HD11 H 1 0.74 0.02 . 1 . . . . 153 ILE HD1 . 17249 1 1610 . 1 1 153 153 ILE HD12 H 1 0.74 0.02 . 1 . . . . 153 ILE HD1 . 17249 1 1611 . 1 1 153 153 ILE HD13 H 1 0.74 0.02 . 1 . . . . 153 ILE HD1 . 17249 1 1612 . 1 1 153 153 ILE HG12 H 1 0.58 0.02 . 2 . . . . 153 ILE HG12 . 17249 1 1613 . 1 1 153 153 ILE HG13 H 1 0.64 0.02 . 2 . . . . 153 ILE HG13 . 17249 1 1614 . 1 1 153 153 ILE HG21 H 1 -0.25 0.02 . 1 . . . . 153 ILE HG2 . 17249 1 1615 . 1 1 153 153 ILE HG22 H 1 -0.25 0.02 . 1 . . . . 153 ILE HG2 . 17249 1 1616 . 1 1 153 153 ILE HG23 H 1 -0.25 0.02 . 1 . . . . 153 ILE HG2 . 17249 1 1617 . 1 1 153 153 ILE C C 13 174.3 0.3 . 1 . . . . 153 ILE C . 17249 1 1618 . 1 1 153 153 ILE CA C 13 60.5 0.3 . 1 . . . . 153 ILE CA . 17249 1 1619 . 1 1 153 153 ILE CB C 13 40.3 0.3 . 1 . . . . 153 ILE CB . 17249 1 1620 . 1 1 153 153 ILE CD1 C 13 15.8 0.3 . 1 . . . . 153 ILE CD1 . 17249 1 1621 . 1 1 153 153 ILE CG1 C 13 25.6 0.3 . 1 . . . . 153 ILE CG1 . 17249 1 1622 . 1 1 153 153 ILE CG2 C 13 17.6 0.3 . 1 . . . . 153 ILE CG2 . 17249 1 1623 . 1 1 153 153 ILE N N 15 120.4 0.3 . 1 . . . . 153 ILE N . 17249 1 1624 . 1 1 154 154 LEU H H 1 8.79 0.02 . 1 . . . . 154 LEU H . 17249 1 1625 . 1 1 154 154 LEU HA H 1 4.46 0.02 . 1 . . . . 154 LEU HA . 17249 1 1626 . 1 1 154 154 LEU HB2 H 1 1.82 0.02 . 2 . . . . 154 LEU HB2 . 17249 1 1627 . 1 1 154 154 LEU HB3 H 1 1.54 0.02 . 2 . . . . 154 LEU HB3 . 17249 1 1628 . 1 1 154 154 LEU HD11 H 1 0.88 0.02 . 1 . . . . 154 LEU HD1 . 17249 1 1629 . 1 1 154 154 LEU HD12 H 1 0.88 0.02 . 1 . . . . 154 LEU HD1 . 17249 1 1630 . 1 1 154 154 LEU HD13 H 1 0.88 0.02 . 1 . . . . 154 LEU HD1 . 17249 1 1631 . 1 1 154 154 LEU HD21 H 1 0.84 0.02 . 1 . . . . 154 LEU HD2 . 17249 1 1632 . 1 1 154 154 LEU HD22 H 1 0.84 0.02 . 1 . . . . 154 LEU HD2 . 17249 1 1633 . 1 1 154 154 LEU HD23 H 1 0.84 0.02 . 1 . . . . 154 LEU HD2 . 17249 1 1634 . 1 1 154 154 LEU HG H 1 1.54 0.02 . 1 . . . . 154 LEU HG . 17249 1 1635 . 1 1 154 154 LEU C C 13 174.8 0.3 . 1 . . . . 154 LEU C . 17249 1 1636 . 1 1 154 154 LEU CA C 13 53.7 0.3 . 1 . . . . 154 LEU CA . 17249 1 1637 . 1 1 154 154 LEU CB C 13 41.0 0.3 . 1 . . . . 154 LEU CB . 17249 1 1638 . 1 1 154 154 LEU CD1 C 13 25.4 0.3 . 1 . . . . 154 LEU CD1 . 17249 1 1639 . 1 1 154 154 LEU CD2 C 13 23.5 0.3 . 1 . . . . 154 LEU CD2 . 17249 1 1640 . 1 1 154 154 LEU CG C 13 27.1 0.3 . 1 . . . . 154 LEU CG . 17249 1 1641 . 1 1 154 154 LEU N N 15 125.2 0.3 . 1 . . . . 154 LEU N . 17249 1 1642 . 1 1 155 155 PHE H H 1 8.20 0.02 . 1 . . . . 155 PHE H . 17249 1 1643 . 1 1 155 155 PHE HA H 1 4.40 0.02 . 1 . . . . 155 PHE HA . 17249 1 1644 . 1 1 155 155 PHE HB2 H 1 3.42 0.02 . 2 . . . . 155 PHE HB2 . 17249 1 1645 . 1 1 155 155 PHE HB3 H 1 2.69 0.02 . 2 . . . . 155 PHE HB3 . 17249 1 1646 . 1 1 155 155 PHE HD1 H 1 7.17 0.02 . 1 . . . . 155 PHE HD1 . 17249 1 1647 . 1 1 155 155 PHE HE1 H 1 6.88 0.02 . 1 . . . . 155 PHE HE1 . 17249 1 1648 . 1 1 155 155 PHE C C 13 176.4 0.3 . 1 . . . . 155 PHE C . 17249 1 1649 . 1 1 155 155 PHE CA C 13 58.6 0.3 . 1 . . . . 155 PHE CA . 17249 1 1650 . 1 1 155 155 PHE CB C 13 41.0 0.3 . 1 . . . . 155 PHE CB . 17249 1 1651 . 1 1 155 155 PHE CD1 C 13 133.4 0.3 . 1 . . . . 155 PHE CD1 . 17249 1 1652 . 1 1 155 155 PHE CE1 C 13 130.0 0.3 . 1 . . . . 155 PHE CE1 . 17249 1 1653 . 1 1 155 155 PHE N N 15 122.5 0.3 . 1 . . . . 155 PHE N . 17249 1 1654 . 1 1 156 156 ALA H H 1 8.55 0.02 . 1 . . . . 156 ALA H . 17249 1 1655 . 1 1 156 156 ALA HA H 1 4.45 0.02 . 1 . . . . 156 ALA HA . 17249 1 1656 . 1 1 156 156 ALA HB1 H 1 1.30 0.02 . 1 . . . . 156 ALA HB . 17249 1 1657 . 1 1 156 156 ALA HB2 H 1 1.30 0.02 . 1 . . . . 156 ALA HB . 17249 1 1658 . 1 1 156 156 ALA HB3 H 1 1.30 0.02 . 1 . . . . 156 ALA HB . 17249 1 1659 . 1 1 156 156 ALA C C 13 177.1 0.3 . 1 . . . . 156 ALA C . 17249 1 1660 . 1 1 156 156 ALA CA C 13 51.9 0.3 . 1 . . . . 156 ALA CA . 17249 1 1661 . 1 1 156 156 ALA CB C 13 19.6 0.3 . 1 . . . . 156 ALA CB . 17249 1 1662 . 1 1 156 156 ALA N N 15 121.6 0.3 . 1 . . . . 156 ALA N . 17249 1 1663 . 1 1 157 157 THR H H 1 8.34 0.02 . 1 . . . . 157 THR H . 17249 1 1664 . 1 1 157 157 THR HA H 1 4.59 0.02 . 1 . . . . 157 THR HA . 17249 1 1665 . 1 1 157 157 THR HB H 1 4.14 0.02 . 1 . . . . 157 THR HB . 17249 1 1666 . 1 1 157 157 THR HG21 H 1 1.31 0.02 . 1 . . . . 157 THR HG2 . 17249 1 1667 . 1 1 157 157 THR HG22 H 1 1.31 0.02 . 1 . . . . 157 THR HG2 . 17249 1 1668 . 1 1 157 157 THR HG23 H 1 1.31 0.02 . 1 . . . . 157 THR HG2 . 17249 1 1669 . 1 1 157 157 THR C C 13 173.0 0.3 . 1 . . . . 157 THR C . 17249 1 1670 . 1 1 157 157 THR CA C 13 59.8 0.3 . 1 . . . . 157 THR CA . 17249 1 1671 . 1 1 157 157 THR CB C 13 69.7 0.3 . 1 . . . . 157 THR CB . 17249 1 1672 . 1 1 157 157 THR CG2 C 13 21.5 0.3 . 1 . . . . 157 THR CG2 . 17249 1 1673 . 1 1 157 157 THR N N 15 117.3 0.3 . 1 . . . . 157 THR N . 17249 1 1674 . 1 1 158 158 PRO HA H 1 4.84 0.02 . 1 . . . . 158 PRO HA . 17249 1 1675 . 1 1 158 158 PRO HB2 H 1 2.16 0.02 . 2 . . . . 158 PRO HB2 . 17249 1 1676 . 1 1 158 158 PRO HB3 H 1 2.36 0.02 . 2 . . . . 158 PRO HB3 . 17249 1 1677 . 1 1 158 158 PRO HD2 H 1 3.57 0.02 . 2 . . . . 158 PRO HD2 . 17249 1 1678 . 1 1 158 158 PRO HD3 H 1 3.42 0.02 . 2 . . . . 158 PRO HD3 . 17249 1 1679 . 1 1 158 158 PRO HG2 H 1 1.87 0.02 . 2 . . . . 158 PRO HG2 . 17249 1 1680 . 1 1 158 158 PRO HG3 H 1 1.85 0.02 . 2 . . . . 158 PRO HG3 . 17249 1 1681 . 1 1 158 158 PRO C C 13 176.8 0.3 . 1 . . . . 158 PRO C . 17249 1 1682 . 1 1 158 158 PRO CA C 13 63.1 0.3 . 1 . . . . 158 PRO CA . 17249 1 1683 . 1 1 158 158 PRO CB C 13 34.1 0.3 . 1 . . . . 158 PRO CB . 17249 1 1684 . 1 1 158 158 PRO CD C 13 50.3 0.3 . 1 . . . . 158 PRO CD . 17249 1 1685 . 1 1 158 158 PRO CG C 13 24.8 0.3 . 1 . . . . 158 PRO CG . 17249 1 1686 . 1 1 160 160 PRO HA H 1 4.45 0.02 . 1 . . . . 160 PRO HA . 17249 1 1687 . 1 1 160 160 PRO HB2 H 1 2.30 0.02 . 2 . . . . 160 PRO HB2 . 17249 1 1688 . 1 1 160 160 PRO HB3 H 1 1.95 0.02 . 2 . . . . 160 PRO HB3 . 17249 1 1689 . 1 1 160 160 PRO HD2 H 1 3.80 0.02 . 2 . . . . 160 PRO HD2 . 17249 1 1690 . 1 1 160 160 PRO HD3 H 1 3.80 0.02 . 2 . . . . 160 PRO HD3 . 17249 1 1691 . 1 1 160 160 PRO HG2 H 1 2.06 0.02 . 1 . . . . 160 PRO HG2 . 17249 1 1692 . 1 1 160 160 PRO C C 13 176.6 0.3 . 1 . . . . 160 PRO C . 17249 1 1693 . 1 1 160 160 PRO CA C 13 63.5 0.3 . 1 . . . . 160 PRO CA . 17249 1 1694 . 1 1 160 160 PRO CB C 13 32.0 0.3 . 1 . . . . 160 PRO CB . 17249 1 1695 . 1 1 160 160 PRO CD C 13 50.9 0.3 . 1 . . . . 160 PRO CD . 17249 1 1696 . 1 1 160 160 PRO CG C 13 27.2 0.3 . 1 . . . . 160 PRO CG . 17249 1 1697 . 1 1 161 161 VAL H H 1 8.21 0.02 . 1 . . . . 161 VAL H . 17249 1 1698 . 1 1 161 161 VAL HA H 1 4.39 0.02 . 1 . . . . 161 VAL HA . 17249 1 1699 . 1 1 161 161 VAL HB H 1 2.07 0.02 . 1 . . . . 161 VAL HB . 17249 1 1700 . 1 1 161 161 VAL HG11 H 1 1.00 0.02 . 1 . . . . 161 VAL HG1 . 17249 1 1701 . 1 1 161 161 VAL HG12 H 1 1.00 0.02 . 1 . . . . 161 VAL HG1 . 17249 1 1702 . 1 1 161 161 VAL HG13 H 1 1.00 0.02 . 1 . . . . 161 VAL HG1 . 17249 1 1703 . 1 1 161 161 VAL C C 13 174.8 0.3 . 1 . . . . 161 VAL C . 17249 1 1704 . 1 1 161 161 VAL CA C 13 60.0 0.3 . 1 . . . . 161 VAL CA . 17249 1 1705 . 1 1 161 161 VAL CB C 13 32.4 0.3 . 1 . . . . 161 VAL CB . 17249 1 1706 . 1 1 161 161 VAL CG1 C 13 21.1 0.3 . 1 . . . . 161 VAL CG1 . 17249 1 1707 . 1 1 161 161 VAL N N 15 123.2 0.3 . 1 . . . . 161 VAL N . 17249 1 stop_ save_