data_25897 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25897 _Entry.Title ; Holo F2 TnC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-12 _Entry.Accession_date 2015-11-12 _Entry.Last_release_date 2016-01-29 _Entry.Original_release_date 2016-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Domenico Sanfelice . . . . 25897 2 Annalisa Pastore . . . . 25897 3 Belinda Bullard . . . . 25897 4 Miguel Adrover . . . . 25897 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25897 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 25897 '15N chemical shifts' 153 25897 '1H chemical shifts' 320 25897 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 3 . . 2016-10-19 2015-11-12 update BMRB 'update entry citation' 25897 2 . . 2016-07-22 2015-11-12 update BMRB 'update entry citation' 25897 1 . . 2016-01-29 2015-11-12 original author 'original release' 25897 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25875 'Backbone assignment of Calcium loaded C-terminus of Troponin C isoform 2' 25897 BMRB 25878 'Holo N-terminal TnC F2 backbone assignment' 25897 BMRB 25879 'Backbone assignment of Apo C-terminal F2-TnC' 25897 BMRB 25880 'Backbone assignment of N-terminal fragment of F2-TnC from Lethocerus' 25897 BMRB 25896 'Backbone Assignment of Apo Troponin C from Lethocerus Indicus' 25897 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25897 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27226601 _Citation.Full_citation . _Citation.Title ; Towards Understanding the Molecular Bases of Stretch Activation: A Structural comparison of the Two Troponin C Isoforms of Lethocerus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 31 _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 16090 _Citation.Page_last 16099 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Domenico Sanfelice . . . . 25897 1 2 Annalisa Pastore . . . . 25897 1 3 Belinda Bullard . . . . 25897 1 4 Miguel Adrover . . . . 25897 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25897 _Assembly.ID 1 _Assembly.Name 'Holo F2 TnC' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Holo F2 TnC' 1 $Holo_F2_TnC A . yes native no no . . . 25897 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Holo_F2_TnC _Entity.Sf_category entity _Entity.Sf_framecode Holo_F2_TnC _Entity.Entry_ID 25897 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Holo_F2_TnC _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 ; MVAMDDLDKDQIALLKRAFE AFAQEKSYIEANMVGTILQM LGHEVSDKQLTEIIVEVDAD GSGQLEFEEFVTLAARFLTE DNEEDSAAMMEELREAFRLY DKDGNGYITTEVLREILKEL DDKITPEDLDMMIQEIDSDG SGTVDFDEFMEVMIGGDE ; _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 158 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'calcium binding' 25897 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25897 1 2 2 VAL . 25897 1 3 3 ALA . 25897 1 4 4 MET . 25897 1 5 5 ASP . 25897 1 6 6 ASP . 25897 1 7 7 LEU . 25897 1 8 8 ASP . 25897 1 9 9 LYS . 25897 1 10 10 ASP . 25897 1 11 11 GLN . 25897 1 12 12 ILE . 25897 1 13 13 ALA . 25897 1 14 14 LEU . 25897 1 15 15 LEU . 25897 1 16 16 LYS . 25897 1 17 17 ARG . 25897 1 18 18 ALA . 25897 1 19 19 PHE . 25897 1 20 20 GLU . 25897 1 21 21 ALA . 25897 1 22 22 PHE . 25897 1 23 23 ALA . 25897 1 24 24 GLN . 25897 1 25 25 GLU . 25897 1 26 26 LYS . 25897 1 27 27 SER . 25897 1 28 28 TYR . 25897 1 29 29 ILE . 25897 1 30 30 GLU . 25897 1 31 31 ALA . 25897 1 32 32 ASN . 25897 1 33 33 MET . 25897 1 34 34 VAL . 25897 1 35 35 GLY . 25897 1 36 36 THR . 25897 1 37 37 ILE . 25897 1 38 38 LEU . 25897 1 39 39 GLN . 25897 1 40 40 MET . 25897 1 41 41 LEU . 25897 1 42 42 GLY . 25897 1 43 43 HIS . 25897 1 44 44 GLU . 25897 1 45 45 VAL . 25897 1 46 46 SER . 25897 1 47 47 ASP . 25897 1 48 48 LYS . 25897 1 49 49 GLN . 25897 1 50 50 LEU . 25897 1 51 51 THR . 25897 1 52 52 GLU . 25897 1 53 53 ILE . 25897 1 54 54 ILE . 25897 1 55 55 VAL . 25897 1 56 56 GLU . 25897 1 57 57 VAL . 25897 1 58 58 ASP . 25897 1 59 59 ALA . 25897 1 60 60 ASP . 25897 1 61 61 GLY . 25897 1 62 62 SER . 25897 1 63 63 GLY . 25897 1 64 64 GLN . 25897 1 65 65 LEU . 25897 1 66 66 GLU . 25897 1 67 67 PHE . 25897 1 68 68 GLU . 25897 1 69 69 GLU . 25897 1 70 70 PHE . 25897 1 71 71 VAL . 25897 1 72 72 THR . 25897 1 73 73 LEU . 25897 1 74 74 ALA . 25897 1 75 75 ALA . 25897 1 76 76 ARG . 25897 1 77 77 PHE . 25897 1 78 78 LEU . 25897 1 79 79 THR . 25897 1 80 80 GLU . 25897 1 81 81 ASP . 25897 1 82 82 ASN . 25897 1 83 83 GLU . 25897 1 84 84 GLU . 25897 1 85 85 ASP . 25897 1 86 86 SER . 25897 1 87 87 ALA . 25897 1 88 88 ALA . 25897 1 89 89 MET . 25897 1 90 90 MET . 25897 1 91 91 GLU . 25897 1 92 92 GLU . 25897 1 93 93 LEU . 25897 1 94 94 ARG . 25897 1 95 95 GLU . 25897 1 96 96 ALA . 25897 1 97 97 PHE . 25897 1 98 98 ARG . 25897 1 99 99 LEU . 25897 1 100 100 TYR . 25897 1 101 101 ASP . 25897 1 102 102 LYS . 25897 1 103 103 ASP . 25897 1 104 104 GLY . 25897 1 105 105 ASN . 25897 1 106 106 GLY . 25897 1 107 107 TYR . 25897 1 108 108 ILE . 25897 1 109 109 THR . 25897 1 110 110 THR . 25897 1 111 111 GLU . 25897 1 112 112 VAL . 25897 1 113 113 LEU . 25897 1 114 114 ARG . 25897 1 115 115 GLU . 25897 1 116 116 ILE . 25897 1 117 117 LEU . 25897 1 118 118 LYS . 25897 1 119 119 GLU . 25897 1 120 120 LEU . 25897 1 121 121 ASP . 25897 1 122 122 ASP . 25897 1 123 123 LYS . 25897 1 124 124 ILE . 25897 1 125 125 THR . 25897 1 126 126 PRO . 25897 1 127 127 GLU . 25897 1 128 128 ASP . 25897 1 129 129 LEU . 25897 1 130 130 ASP . 25897 1 131 131 MET . 25897 1 132 132 MET . 25897 1 133 133 ILE . 25897 1 134 134 GLN . 25897 1 135 135 GLU . 25897 1 136 136 ILE . 25897 1 137 137 ASP . 25897 1 138 138 SER . 25897 1 139 139 ASP . 25897 1 140 140 GLY . 25897 1 141 141 SER . 25897 1 142 142 GLY . 25897 1 143 143 THR . 25897 1 144 144 VAL . 25897 1 145 145 ASP . 25897 1 146 146 PHE . 25897 1 147 147 ASP . 25897 1 148 148 GLU . 25897 1 149 149 PHE . 25897 1 150 150 MET . 25897 1 151 151 GLU . 25897 1 152 152 VAL . 25897 1 153 153 MET . 25897 1 154 154 ILE . 25897 1 155 155 GLY . 25897 1 156 156 GLY . 25897 1 157 157 ASP . 25897 1 158 158 GLU . 25897 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25897 1 . VAL 2 2 25897 1 . ALA 3 3 25897 1 . MET 4 4 25897 1 . ASP 5 5 25897 1 . ASP 6 6 25897 1 . LEU 7 7 25897 1 . ASP 8 8 25897 1 . LYS 9 9 25897 1 . ASP 10 10 25897 1 . GLN 11 11 25897 1 . ILE 12 12 25897 1 . ALA 13 13 25897 1 . LEU 14 14 25897 1 . LEU 15 15 25897 1 . LYS 16 16 25897 1 . ARG 17 17 25897 1 . ALA 18 18 25897 1 . PHE 19 19 25897 1 . GLU 20 20 25897 1 . ALA 21 21 25897 1 . PHE 22 22 25897 1 . ALA 23 23 25897 1 . GLN 24 24 25897 1 . GLU 25 25 25897 1 . LYS 26 26 25897 1 . SER 27 27 25897 1 . TYR 28 28 25897 1 . ILE 29 29 25897 1 . GLU 30 30 25897 1 . ALA 31 31 25897 1 . ASN 32 32 25897 1 . MET 33 33 25897 1 . VAL 34 34 25897 1 . GLY 35 35 25897 1 . THR 36 36 25897 1 . ILE 37 37 25897 1 . LEU 38 38 25897 1 . GLN 39 39 25897 1 . MET 40 40 25897 1 . LEU 41 41 25897 1 . GLY 42 42 25897 1 . HIS 43 43 25897 1 . GLU 44 44 25897 1 . VAL 45 45 25897 1 . SER 46 46 25897 1 . ASP 47 47 25897 1 . LYS 48 48 25897 1 . GLN 49 49 25897 1 . LEU 50 50 25897 1 . THR 51 51 25897 1 . GLU 52 52 25897 1 . ILE 53 53 25897 1 . ILE 54 54 25897 1 . VAL 55 55 25897 1 . GLU 56 56 25897 1 . VAL 57 57 25897 1 . ASP 58 58 25897 1 . ALA 59 59 25897 1 . ASP 60 60 25897 1 . GLY 61 61 25897 1 . SER 62 62 25897 1 . GLY 63 63 25897 1 . GLN 64 64 25897 1 . LEU 65 65 25897 1 . GLU 66 66 25897 1 . PHE 67 67 25897 1 . GLU 68 68 25897 1 . GLU 69 69 25897 1 . PHE 70 70 25897 1 . VAL 71 71 25897 1 . THR 72 72 25897 1 . LEU 73 73 25897 1 . ALA 74 74 25897 1 . ALA 75 75 25897 1 . ARG 76 76 25897 1 . PHE 77 77 25897 1 . LEU 78 78 25897 1 . THR 79 79 25897 1 . GLU 80 80 25897 1 . ASP 81 81 25897 1 . ASN 82 82 25897 1 . GLU 83 83 25897 1 . GLU 84 84 25897 1 . ASP 85 85 25897 1 . SER 86 86 25897 1 . ALA 87 87 25897 1 . ALA 88 88 25897 1 . MET 89 89 25897 1 . MET 90 90 25897 1 . GLU 91 91 25897 1 . GLU 92 92 25897 1 . LEU 93 93 25897 1 . ARG 94 94 25897 1 . GLU 95 95 25897 1 . ALA 96 96 25897 1 . PHE 97 97 25897 1 . ARG 98 98 25897 1 . LEU 99 99 25897 1 . TYR 100 100 25897 1 . ASP 101 101 25897 1 . LYS 102 102 25897 1 . ASP 103 103 25897 1 . GLY 104 104 25897 1 . ASN 105 105 25897 1 . GLY 106 106 25897 1 . TYR 107 107 25897 1 . ILE 108 108 25897 1 . THR 109 109 25897 1 . THR 110 110 25897 1 . GLU 111 111 25897 1 . VAL 112 112 25897 1 . LEU 113 113 25897 1 . ARG 114 114 25897 1 . GLU 115 115 25897 1 . ILE 116 116 25897 1 . LEU 117 117 25897 1 . LYS 118 118 25897 1 . GLU 119 119 25897 1 . LEU 120 120 25897 1 . ASP 121 121 25897 1 . ASP 122 122 25897 1 . LYS 123 123 25897 1 . ILE 124 124 25897 1 . THR 125 125 25897 1 . PRO 126 126 25897 1 . GLU 127 127 25897 1 . ASP 128 128 25897 1 . LEU 129 129 25897 1 . ASP 130 130 25897 1 . MET 131 131 25897 1 . MET 132 132 25897 1 . ILE 133 133 25897 1 . GLN 134 134 25897 1 . GLU 135 135 25897 1 . ILE 136 136 25897 1 . ASP 137 137 25897 1 . SER 138 138 25897 1 . ASP 139 139 25897 1 . GLY 140 140 25897 1 . SER 141 141 25897 1 . GLY 142 142 25897 1 . THR 143 143 25897 1 . VAL 144 144 25897 1 . ASP 145 145 25897 1 . PHE 146 146 25897 1 . ASP 147 147 25897 1 . GLU 148 148 25897 1 . PHE 149 149 25897 1 . MET 150 150 25897 1 . GLU 151 151 25897 1 . VAL 152 152 25897 1 . MET 153 153 25897 1 . ILE 154 154 25897 1 . GLY 155 155 25897 1 . GLY 156 156 25897 1 . ASP 157 157 25897 1 . GLU 158 158 25897 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25897 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Holo_F2_TnC . 212017 organism . 'Lethocerus Indicus' 'Lethocerus Indicus' . . Eukaryota Metazoa Lethocerus Indicus . . . . . . . . . . . . . 25897 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 25897 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Holo_F2_TnC . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pet11a . . . 25897 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25897 _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 'Holo F2 TnC' '[U-98% 13C; U-98% 15N]' . . 1 $Holo_F2_TnC . protein . 0.5 1.0 mM . . . . 25897 1 2 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25897 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25897 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25897 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25897 1 pH 6.8 . pH 25897 1 pressure 1 . atm 25897 1 temperature 298.2 . K 25897 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25897 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25897 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25897 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25897 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25897 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25897 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25897 _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 . . . 25897 1 2 spectrometer_2 Bruker Avance . 700 . . . 25897 1 3 spectrometer_3 Bruker Avance . 800 . . . 25897 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 25897 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25897 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25897 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25897 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25897 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25897 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25897 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25897 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 25897 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 acetate 'methyl carbon' . . . . ppm 54 internal direct 1 . . . . . 25897 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 25897 1 N 15 '[15N] ammonium sulfate' nitrogen . . . . ppm 118 internal direct 1 . . . . . 25897 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 25897 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25897 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 25897 1 3 '3D HNCO' 1 $sample_1 isotropic 25897 1 4 '3D HNCA' 1 $sample_1 isotropic 25897 1 5 '3D HNCACB' 1 $sample_1 isotropic 25897 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25897 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 25897 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 25897 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 176.038 0.000 . . . . . . 1 MET C . 25897 1 2 . 1 1 1 1 MET CA C 13 55.735 0.000 . . . . . . 1 MET CA . 25897 1 3 . 1 1 1 1 MET CB C 13 38.174 0.000 . . . . . . 1 MET CB . 25897 1 4 . 1 1 2 2 VAL H H 1 8.244 0.000 . . . . . . 2 VAL HN . 25897 1 5 . 1 1 2 2 VAL HA H 1 4.12 0.000 . . . . . . 2 VAL HA . 25897 1 6 . 1 1 2 2 VAL C C 13 175.334 0.000 . . . . . . 2 VAL C . 25897 1 7 . 1 1 2 2 VAL CA C 13 62.145 0.000 . . . . . . 2 VAL CA . 25897 1 8 . 1 1 2 2 VAL CB C 13 33.02 0.000 . . . . . . 2 VAL CB . 25897 1 9 . 1 1 2 2 VAL N N 15 122.234 0.000 . . . . . . 2 VAL N . 25897 1 10 . 1 1 3 3 ALA H H 1 8.576 0.000 . . . . . . 3 ALA HN . 25897 1 11 . 1 1 3 3 ALA HA H 1 4.308 0.000 . . . . . . 3 ALA HA . 25897 1 12 . 1 1 3 3 ALA C C 13 177.915 0.000 . . . . . . 3 ALA C . 25897 1 13 . 1 1 3 3 ALA CA C 13 52.553 0.000 . . . . . . 3 ALA CA . 25897 1 14 . 1 1 3 3 ALA CB C 13 19.658 0.000 . . . . . . 3 ALA CB . 25897 1 15 . 1 1 3 3 ALA N N 15 128.321 0.000 . . . . . . 3 ALA N . 25897 1 16 . 1 1 4 4 MET H H 1 8.369 0.000 . . . . . . 4 MET HN . 25897 1 17 . 1 1 4 4 MET HA H 1 4.12 0.000 . . . . . . 4 MET HA . 25897 1 18 . 1 1 4 4 MET C C 13 176.608 0.000 . . . . . . 4 MET C . 25897 1 19 . 1 1 4 4 MET CA C 13 57.052 0.000 . . . . . . 4 MET CA . 25897 1 20 . 1 1 4 4 MET CB C 13 32.574 0.000 . . . . . . 4 MET CB . 25897 1 21 . 1 1 4 4 MET N N 15 118.812 0.000 . . . . . . 4 MET N . 25897 1 22 . 1 1 5 5 ASP H H 1 8.082 0.000 . . . . . . 5 ASP HN . 25897 1 23 . 1 1 5 5 ASP HA H 1 4.511 0.000 . . . . . . 5 ASP HA . 25897 1 24 . 1 1 5 5 ASP C C 13 176.138 0.000 . . . . . . 5 ASP C . 25897 1 25 . 1 1 5 5 ASP CA C 13 55.158 0.000 . . . . . . 5 ASP CA . 25897 1 26 . 1 1 5 5 ASP CB C 13 40.719 0.000 . . . . . . 5 ASP CB . 25897 1 27 . 1 1 5 5 ASP N N 15 117.281 0.000 . . . . . . 5 ASP N . 25897 1 28 . 1 1 6 6 ASP H H 1 7.942 0.000 . . . . . . 6 ASP HN . 25897 1 29 . 1 1 6 6 ASP HA H 1 4.62 0.000 . . . . . . 6 ASP HA . 25897 1 30 . 1 1 6 6 ASP C C 13 176.138 0.000 . . . . . . 6 ASP C . 25897 1 31 . 1 1 6 6 ASP CA C 13 54.844 0.000 . . . . . . 6 ASP CA . 25897 1 32 . 1 1 6 6 ASP CB C 13 41.546 0.000 . . . . . . 6 ASP CB . 25897 1 33 . 1 1 6 6 ASP N N 15 118.313 0.000 . . . . . . 6 ASP N . 25897 1 34 . 1 1 7 7 LEU H H 1 7.59 0.000 . . . . . . 7 LEU HN . 25897 1 35 . 1 1 7 7 LEU HA H 1 4.448 0.000 . . . . . . 7 LEU HA . 25897 1 36 . 1 1 7 7 LEU C C 13 176.351 0.000 . . . . . . 7 LEU C . 25897 1 37 . 1 1 7 7 LEU CA C 13 54.208 0.000 . . . . . . 7 LEU CA . 25897 1 38 . 1 1 7 7 LEU CB C 13 43.2 0.000 . . . . . . 7 LEU CB . 25897 1 39 . 1 1 7 7 LEU N N 15 120.411 0.000 . . . . . . 7 LEU N . 25897 1 40 . 1 1 8 8 ASP H H 1 8.663 0.000 . . . . . . 8 ASP HN . 25897 1 41 . 1 1 8 8 ASP HA H 1 4.699 0.000 . . . . . . 8 ASP HA . 25897 1 42 . 1 1 8 8 ASP C C 13 177.032 0.000 . . . . . . 8 ASP C . 25897 1 43 . 1 1 8 8 ASP CA C 13 53.19 0.000 . . . . . . 8 ASP CA . 25897 1 44 . 1 1 8 8 ASP CB C 13 42.182 0.000 . . . . . . 8 ASP CB . 25897 1 45 . 1 1 8 8 ASP N N 15 121.064 0.000 . . . . . . 8 ASP N . 25897 1 46 . 1 1 9 9 LYS H H 1 8.568 0.000 . . . . . . 9 LYS HN . 25897 1 47 . 1 1 9 9 LYS HA H 1 4.026 0.000 . . . . . . 9 LYS HA . 25897 1 48 . 1 1 9 9 LYS C C 13 179.155 0.000 . . . . . . 9 LYS C . 25897 1 49 . 1 1 9 9 LYS CA C 13 59.716 0.000 . . . . . . 9 LYS CA . 25897 1 50 . 1 1 9 9 LYS CB C 13 32.129 0.000 . . . . . . 9 LYS CB . 25897 1 51 . 1 1 9 9 LYS N N 15 119.362 0.000 . . . . . . 9 LYS N . 25897 1 52 . 1 1 10 10 ASP H H 1 8.509 0.000 . . . . . . 10 ASP HN . 25897 1 53 . 1 1 10 10 ASP HA H 1 4.558 0.000 . . . . . . 10 ASP HA . 25897 1 54 . 1 1 10 10 ASP C C 13 179.077 0.000 . . . . . . 10 ASP C . 25897 1 55 . 1 1 10 10 ASP CA C 13 57.198 0.000 . . . . . . 10 ASP CA . 25897 1 56 . 1 1 10 10 ASP CB C 13 40.146 0.000 . . . . . . 10 ASP CB . 25897 1 57 . 1 1 10 10 ASP N N 15 121.099 0.000 . . . . . . 10 ASP N . 25897 1 58 . 1 1 11 11 GLN H H 1 8.32 0.000 . . . . . . 11 GLN HN . 25897 1 59 . 1 1 11 11 GLN HA H 1 4.135 0.000 . . . . . . 11 GLN HA . 25897 1 60 . 1 1 11 11 GLN C C 13 178.63 0.000 . . . . . . 11 GLN C . 25897 1 61 . 1 1 11 11 GLN CA C 13 58.98 0.000 . . . . . . 11 GLN CA . 25897 1 62 . 1 1 11 11 GLN CB C 13 29.52 0.000 . . . . . . 11 GLN CB . 25897 1 63 . 1 1 11 11 GLN N N 15 122.44 0.000 . . . . . . 11 GLN N . 25897 1 64 . 1 1 12 12 ILE H H 1 8.238 0.001 . . . . . . 12 ILE HN . 25897 1 65 . 1 1 12 12 ILE HA H 1 3.713 0.000 . . . . . . 12 ILE HA . 25897 1 66 . 1 1 12 12 ILE C C 13 177.502 0.000 . . . . . . 12 ILE C . 25897 1 67 . 1 1 12 12 ILE CA C 13 64.833 0.000 . . . . . . 12 ILE CA . 25897 1 68 . 1 1 12 12 ILE CB C 13 37.219 0.000 . . . . . . 12 ILE CB . 25897 1 69 . 1 1 12 12 ILE N N 15 119.035 0.000 . . . . . . 12 ILE N . 25897 1 70 . 1 1 13 13 ALA H H 1 7.877 0.000 . . . . . . 13 ALA HN . 25897 1 71 . 1 1 13 13 ALA HA H 1 4.198 0.000 . . . . . . 13 ALA HA . 25897 1 72 . 1 1 13 13 ALA C C 13 180.652 0.000 . . . . . . 13 ALA C . 25897 1 73 . 1 1 13 13 ALA CA C 13 55.416 0.000 . . . . . . 13 ALA CA . 25897 1 74 . 1 1 13 13 ALA CB C 13 18.195 0.000 . . . . . . 13 ALA CB . 25897 1 75 . 1 1 13 13 ALA N N 15 121.285 0.006 . . . . . . 13 ALA N . 25897 1 76 . 1 1 14 14 LEU H H 1 7.752 0.000 . . . . . . 14 LEU HN . 25897 1 77 . 1 1 14 14 LEU HA H 1 4.151 0.000 . . . . . . 14 LEU HA . 25897 1 78 . 1 1 14 14 LEU C C 13 179.49 0.000 . . . . . . 14 LEU C . 25897 1 79 . 1 1 14 14 LEU CA C 13 58.534 0.000 . . . . . . 14 LEU CA . 25897 1 80 . 1 1 14 14 LEU CB C 13 41.991 0.000 . . . . . . 14 LEU CB . 25897 1 81 . 1 1 14 14 LEU N N 15 120.325 0.000 . . . . . . 14 LEU N . 25897 1 82 . 1 1 15 15 LEU H H 1 8.27 0.000 . . . . . . 15 LEU HN . 25897 1 83 . 1 1 15 15 LEU HA H 1 4.292 0.000 . . . . . . 15 LEU HA . 25897 1 84 . 1 1 15 15 LEU C C 13 179.144 0.000 . . . . . . 15 LEU C . 25897 1 85 . 1 1 15 15 LEU CA C 13 58.152 0.000 . . . . . . 15 LEU CA . 25897 1 86 . 1 1 15 15 LEU CB C 13 41.546 0.000 . . . . . . 15 LEU CB . 25897 1 87 . 1 1 15 15 LEU N N 15 119.723 0.000 . . . . . . 15 LEU N . 25897 1 88 . 1 1 16 16 LYS H H 1 9.075 0.000 . . . . . . 16 LYS HN . 25897 1 89 . 1 1 16 16 LYS HA H 1 3.995 0.000 . . . . . . 16 LYS HA . 25897 1 90 . 1 1 16 16 LYS C C 13 178.172 0.000 . . . . . . 16 LYS C . 25897 1 91 . 1 1 16 16 LYS CA C 13 60.061 0.000 . . . . . . 16 LYS CA . 25897 1 92 . 1 1 16 16 LYS CB C 13 32.32 0.000 . . . . . . 16 LYS CB . 25897 1 93 . 1 1 16 16 LYS N N 15 121.322 0.000 . . . . . . 16 LYS N . 25897 1 94 . 1 1 17 17 ARG H H 1 7.975 0.002 . . . . . . 17 ARG HN . 25897 1 95 . 1 1 17 17 ARG HA H 1 4.151 0.000 . . . . . . 17 ARG HA . 25897 1 96 . 1 1 17 17 ARG C C 13 179.624 0.000 . . . . . . 17 ARG C . 25897 1 97 . 1 1 17 17 ARG CA C 13 59.425 0.000 . . . . . . 17 ARG CA . 25897 1 98 . 1 1 17 17 ARG CB C 13 30.411 0.000 . . . . . . 17 ARG CB . 25897 1 99 . 1 1 17 17 ARG N N 15 118.468 0.000 . . . . . . 17 ARG N . 25897 1 100 . 1 1 18 18 ALA H H 1 8.222 0.000 . . . . . . 18 ALA HN . 25897 1 101 . 1 1 18 18 ALA HA H 1 4.23 0.000 . . . . . . 18 ALA HA . 25897 1 102 . 1 1 18 18 ALA C C 13 178.116 0.000 . . . . . . 18 ALA C . 25897 1 103 . 1 1 18 18 ALA CA C 13 55.226 0.000 . . . . . . 18 ALA CA . 25897 1 104 . 1 1 18 18 ALA CB C 13 18.386 0.000 . . . . . . 18 ALA CB . 25897 1 105 . 1 1 18 18 ALA N N 15 121.924 0.000 . . . . . . 18 ALA N . 25897 1 106 . 1 1 19 19 PHE H H 1 8.837 0.000 . . . . . . 19 PHE HN . 25897 1 107 . 1 1 19 19 PHE HA H 1 3.604 0.000 . . . . . . 19 PHE HA . 25897 1 108 . 1 1 19 19 PHE HZ H 1 7.125 0.000 . . . . . . 19 PHE HZ . 25897 1 109 . 1 1 19 19 PHE C C 13 177.356 0.000 . . . . . . 19 PHE C . 25897 1 110 . 1 1 19 19 PHE CA C 13 62.161 0.000 . . . . . . 19 PHE CA . 25897 1 111 . 1 1 19 19 PHE CB C 13 40.146 0.000 . . . . . . 19 PHE CB . 25897 1 112 . 1 1 19 19 PHE N N 15 117.505 0.000 . . . . . . 19 PHE N . 25897 1 113 . 1 1 20 20 GLU H H 1 8.786 0.000 . . . . . . 20 GLU HN . 25897 1 114 . 1 1 20 20 GLU HA H 1 3.885 0.000 . . . . . . 20 GLU HA . 25897 1 115 . 1 1 20 20 GLU C C 13 179.334 0.000 . . . . . . 20 GLU C . 25897 1 116 . 1 1 20 20 GLU CA C 13 59.361 0.000 . . . . . . 20 GLU CA . 25897 1 117 . 1 1 20 20 GLU CB C 13 29.393 0.000 . . . . . . 20 GLU CB . 25897 1 118 . 1 1 20 20 GLU N N 15 116.783 0.000 . . . . . . 20 GLU N . 25897 1 119 . 1 1 21 21 ALA H H 1 7.784 0.000 . . . . . . 21 ALA HN . 25897 1 120 . 1 1 21 21 ALA HA H 1 3.995 0.000 . . . . . . 21 ALA HA . 25897 1 121 . 1 1 21 21 ALA C C 13 178.831 0.000 . . . . . . 21 ALA C . 25897 1 122 . 1 1 21 21 ALA CA C 13 54.78 0.000 . . . . . . 21 ALA CA . 25897 1 123 . 1 1 21 21 ALA CB C 13 17.877 0.000 . . . . . . 21 ALA CB . 25897 1 124 . 1 1 21 21 ALA N N 15 121.271 0.000 . . . . . . 21 ALA N . 25897 1 125 . 1 1 22 22 PHE H H 1 7.344 0.000 . . . . . . 22 PHE HN . 25897 1 126 . 1 1 22 22 PHE HA H 1 4.354 0.000 . . . . . . 22 PHE HA . 25897 1 127 . 1 1 22 22 PHE C C 13 176.731 0.000 . . . . . . 22 PHE C . 25897 1 128 . 1 1 22 22 PHE CA C 13 59.616 0.000 . . . . . . 22 PHE CA . 25897 1 129 . 1 1 22 22 PHE CB C 13 40.528 0.000 . . . . . . 22 PHE CB . 25897 1 130 . 1 1 22 22 PHE N N 15 114.326 0.000 . . . . . . 22 PHE N . 25897 1 131 . 1 1 23 23 ALA H H 1 8.628 0.000 . . . . . . 23 ALA HN . 25897 1 132 . 1 1 23 23 ALA HA H 1 3.713 0.000 . . . . . . 23 ALA HA . 25897 1 133 . 1 1 23 23 ALA C C 13 179.055 0.000 . . . . . . 23 ALA C . 25897 1 134 . 1 1 23 23 ALA CA C 13 54.208 0.000 . . . . . . 23 ALA CA . 25897 1 135 . 1 1 23 23 ALA CB C 13 18.704 0.000 . . . . . . 23 ALA CB . 25897 1 136 . 1 1 23 23 ALA N N 15 123.317 0.000 . . . . . . 23 ALA N . 25897 1 137 . 1 1 24 24 GLN H H 1 7.963 0.000 . . . . . . 24 GLN HN . 25897 1 138 . 1 1 24 24 GLN HA H 1 3.744 0.000 . . . . . . 24 GLN HA . 25897 1 139 . 1 1 24 24 GLN C C 13 176.585 0.000 . . . . . . 24 GLN C . 25897 1 140 . 1 1 24 24 GLN CA C 13 57.325 0.000 . . . . . . 24 GLN CA . 25897 1 141 . 1 1 24 24 GLN CB C 13 26.53 0.000 . . . . . . 24 GLN CB . 25897 1 142 . 1 1 24 24 GLN N N 15 113.302 0.000 . . . . . . 24 GLN N . 25897 1 143 . 1 1 25 25 GLU H H 1 9.068 0.000 . . . . . . 25 GLU HN . 25897 1 144 . 1 1 25 25 GLU HA H 1 4.182 0.000 . . . . . . 25 GLU HA . 25897 1 145 . 1 1 25 25 GLU C C 13 175.513 0.000 . . . . . . 25 GLU C . 25897 1 146 . 1 1 25 25 GLU CA C 13 57.58 0.000 . . . . . . 25 GLU CA . 25897 1 147 . 1 1 25 25 GLU CB C 13 28.248 0.000 . . . . . . 25 GLU CB . 25897 1 148 . 1 1 25 25 GLU N N 15 119.758 0.000 . . . . . . 25 GLU N . 25897 1 149 . 1 1 26 26 LYS H H 1 7.899 0.000 . . . . . . 26 LYS HN . 25897 1 150 . 1 1 26 26 LYS HA H 1 4.354 0.000 . . . . . . 26 LYS HA . 25897 1 151 . 1 1 26 26 LYS C C 13 175.758 0.000 . . . . . . 26 LYS C . 25897 1 152 . 1 1 26 26 LYS CA C 13 55.735 0.000 . . . . . . 26 LYS CA . 25897 1 153 . 1 1 26 26 LYS CB C 13 33.338 0.000 . . . . . . 26 LYS CB . 25897 1 154 . 1 1 26 26 LYS N N 15 119.551 0.000 . . . . . . 26 LYS N . 25897 1 155 . 1 1 27 27 SER H H 1 8.293 0.000 . . . . . . 27 SER HN . 25897 1 156 . 1 1 27 27 SER HA H 1 4.605 0.000 . . . . . . 27 SER HA . 25897 1 157 . 1 1 27 27 SER C C 13 172.887 0.000 . . . . . . 27 SER C . 25897 1 158 . 1 1 27 27 SER CA C 13 58.343 0.000 . . . . . . 27 SER CA . 25897 1 159 . 1 1 27 27 SER CB C 13 63.879 0.000 . . . . . . 27 SER CB . 25897 1 160 . 1 1 27 27 SER N N 15 110.856 0.000 . . . . . . 27 SER N . 25897 1 161 . 1 1 28 28 TYR H H 1 6.835 0.000 . . . . . . 28 TYR HN . 25897 1 162 . 1 1 28 28 TYR HA H 1 5.566 0.000 . . . . . . 28 TYR HA . 25897 1 163 . 1 1 28 28 TYR C C 13 172.753 0.000 . . . . . . 28 TYR C . 25897 1 164 . 1 1 28 28 TYR CA C 13 55.388 0.000 . . . . . . 28 TYR CA . 25897 1 165 . 1 1 28 28 TYR CB C 13 41.164 0.000 . . . . . . 28 TYR CB . 25897 1 166 . 1 1 28 28 TYR N N 15 115.313 0.000 . . . . . . 28 TYR N . 25897 1 167 . 1 1 29 29 ILE H H 1 8.312 0.000 . . . . . . 29 ILE HN . 25897 1 168 . 1 1 29 29 ILE HA H 1 4.495 0.000 . . . . . . 29 ILE HA . 25897 1 169 . 1 1 29 29 ILE CA C 13 58.789 0.000 . . . . . . 29 ILE CA . 25897 1 170 . 1 1 29 29 ILE CB C 13 41.419 0.000 . . . . . . 29 ILE CB . 25897 1 171 . 1 1 29 29 ILE N N 15 111.832 0.000 . . . . . . 29 ILE N . 25897 1 172 . 1 1 30 30 GLU H H 1 8.361 0.000 . . . . . . 30 GLU HN . 25897 1 173 . 1 1 30 30 GLU HA H 1 4.616 0.000 . . . . . . 30 GLU HA . 25897 1 174 . 1 1 30 30 GLU C C 13 178.161 0.000 . . . . . . 30 GLU C . 25897 1 175 . 1 1 30 30 GLU CA C 13 56.116 0.000 . . . . . . 30 GLU CA . 25897 1 176 . 1 1 30 30 GLU CB C 13 30.92 0.000 . . . . . . 30 GLU CB . 25897 1 177 . 1 1 30 30 GLU N N 15 124.039 0.000 . . . . . . 30 GLU N . 25897 1 178 . 1 1 31 31 ALA H H 1 9.01 0.000 . . . . . . 31 ALA HN . 25897 1 179 . 1 1 31 31 ALA HA H 1 3.859 0.000 . . . . . . 31 ALA HA . 25897 1 180 . 1 1 31 31 ALA C C 13 179.222 0.000 . . . . . . 31 ALA C . 25897 1 181 . 1 1 31 31 ALA CA C 13 55.989 0.000 . . . . . . 31 ALA CA . 25897 1 182 . 1 1 31 31 ALA CB C 13 18.322 0.000 . . . . . . 31 ALA CB . 25897 1 183 . 1 1 31 31 ALA N N 15 124.847 0.000 . . . . . . 31 ALA N . 25897 1 184 . 1 1 32 32 ASN H H 1 8.565 0.001 . . . . . . 32 ASN HN . 25897 1 185 . 1 1 32 32 ASN HA H 1 4.464 0.000 . . . . . . 32 ASN HA . 25897 1 186 . 1 1 32 32 ASN C C 13 176.954 0.000 . . . . . . 32 ASN C . 25897 1 187 . 1 1 32 32 ASN CA C 13 55.162 0.000 . . . . . . 32 ASN CA . 25897 1 188 . 1 1 32 32 ASN CB C 13 37.219 0.000 . . . . . . 32 ASN CB . 25897 1 189 . 1 1 32 32 ASN N N 15 112.375 0.000 . . . . . . 32 ASN N . 25897 1 190 . 1 1 33 33 MET H H 1 7.739 0.000 . . . . . . 33 MET HN . 25897 1 191 . 1 1 33 33 MET HA H 1 4.386 0.000 . . . . . . 33 MET HA . 25897 1 192 . 1 1 33 33 MET C C 13 177.144 0.000 . . . . . . 33 MET C . 25897 1 193 . 1 1 33 33 MET CA C 13 55.989 0.000 . . . . . . 33 MET CA . 25897 1 194 . 1 1 33 33 MET CB C 13 32.32 0.000 . . . . . . 33 MET CB . 25897 1 195 . 1 1 33 33 MET N N 15 118.657 0.000 . . . . . . 33 MET N . 25897 1 196 . 1 1 34 34 VAL H H 1 7.532 0.000 . . . . . . 34 VAL HN . 25897 1 197 . 1 1 34 34 VAL HA H 1 3.291 0.000 . . . . . . 34 VAL HA . 25897 1 198 . 1 1 34 34 VAL C C 13 177.289 0.000 . . . . . . 34 VAL C . 25897 1 199 . 1 1 34 34 VAL CA C 13 67.251 0.000 . . . . . . 34 VAL CA . 25897 1 200 . 1 1 34 34 VAL CB C 13 31.238 0.000 . . . . . . 34 VAL CB . 25897 1 201 . 1 1 34 34 VAL N N 15 119.139 0.000 . . . . . . 34 VAL N . 25897 1 202 . 1 1 35 35 GLY H H 1 8.72 0.000 . . . . . . 35 GLY HN . 25897 1 203 . 1 1 35 35 GLY HA2 H 1 3.979 0.000 . . . . . . 35 GLY HA2 . 25897 1 204 . 1 1 35 35 GLY HA3 H 1 3.541 0.000 . . . . . . 35 GLY HA3 . 25897 1 205 . 1 1 35 35 GLY C C 13 176.295 0.000 . . . . . . 35 GLY C . 25897 1 206 . 1 1 35 35 GLY CA C 13 47.845 0.000 . . . . . . 35 GLY CA . 25897 1 207 . 1 1 35 35 GLY N N 15 106.851 0.000 . . . . . . 35 GLY N . 25897 1 208 . 1 1 36 36 THR H H 1 7.668 0.000 . . . . . . 36 THR HN . 25897 1 209 . 1 1 36 36 THR HA H 1 4.104 0.000 . . . . . . 36 THR HA . 25897 1 210 . 1 1 36 36 THR C C 13 176.116 0.000 . . . . . . 36 THR C . 25897 1 211 . 1 1 36 36 THR CA C 13 66.551 0.000 . . . . . . 36 THR CA . 25897 1 212 . 1 1 36 36 THR CB C 13 68.587 0.000 . . . . . . 36 THR CB . 25897 1 213 . 1 1 36 36 THR N N 15 119.654 0.000 . . . . . . 36 THR N . 25897 1 214 . 1 1 37 37 ILE H H 1 7.739 0.000 . . . . . . 37 ILE HN . 25897 1 215 . 1 1 37 37 ILE HA H 1 3.432 0.000 . . . . . . 37 ILE HA . 25897 1 216 . 1 1 37 37 ILE C C 13 177.691 0.000 . . . . . . 37 ILE C . 25897 1 217 . 1 1 37 37 ILE CA C 13 65.915 0.000 . . . . . . 37 ILE CA . 25897 1 218 . 1 1 37 37 ILE CB C 13 37.919 0.000 . . . . . . 37 ILE CB . 25897 1 219 . 1 1 37 37 ILE N N 15 122.302 0.000 . . . . . . 37 ILE N . 25897 1 220 . 1 1 38 38 LEU H H 1 8.33 0.000 . . . . . . 38 LEU HN . 25897 1 221 . 1 1 38 38 LEU HA H 1 3.917 0.000 . . . . . . 38 LEU HA . 25897 1 222 . 1 1 38 38 LEU C C 13 179.289 0.000 . . . . . . 38 LEU C . 25897 1 223 . 1 1 38 38 LEU CA C 13 58.598 0.000 . . . . . . 38 LEU CA . 25897 1 224 . 1 1 38 38 LEU CB C 13 40.019 0.000 . . . . . . 38 LEU CB . 25897 1 225 . 1 1 38 38 LEU N N 15 117.969 0.000 . . . . . . 38 LEU N . 25897 1 226 . 1 1 39 39 GLN H H 1 8.074 0.000 . . . . . . 39 GLN HN . 25897 1 227 . 1 1 39 39 GLN HA H 1 3.938 0.000 . . . . . . 39 GLN HA . 25897 1 228 . 1 1 39 39 GLN C C 13 180.686 0.000 . . . . . . 39 GLN C . 25897 1 229 . 1 1 39 39 GLN CA C 13 59.761 0.000 . . . . . . 39 GLN CA . 25897 1 230 . 1 1 39 39 GLN CB C 13 28.184 0.000 . . . . . . 39 GLN CB . 25897 1 231 . 1 1 39 39 GLN N N 15 119.225 0.000 . . . . . . 39 GLN N . 25897 1 232 . 1 1 40 40 MET H H 1 8.162 0.000 . . . . . . 40 MET HN . 25897 1 233 . 1 1 40 40 MET HA H 1 4.151 0.000 . . . . . . 40 MET HA . 25897 1 234 . 1 1 40 40 MET C C 13 177.524 0.000 . . . . . . 40 MET C . 25897 1 235 . 1 1 40 40 MET CA C 13 59.107 0.000 . . . . . . 40 MET CA . 25897 1 236 . 1 1 40 40 MET CB C 13 32.384 0.000 . . . . . . 40 MET CB . 25897 1 237 . 1 1 40 40 MET N N 15 122.182 0.000 . . . . . . 40 MET N . 25897 1 238 . 1 1 41 41 LEU H H 1 7.679 0.000 . . . . . . 41 LEU HN . 25897 1 239 . 1 1 41 41 LEU HA H 1 4.401 0.000 . . . . . . 41 LEU HA . 25897 1 240 . 1 1 41 41 LEU C C 13 176.407 0.000 . . . . . . 41 LEU C . 25897 1 241 . 1 1 41 41 LEU CA C 13 54.907 0.000 . . . . . . 41 LEU CA . 25897 1 242 . 1 1 41 41 LEU CB C 13 42.246 0.000 . . . . . . 41 LEU CB . 25897 1 243 . 1 1 41 41 LEU N N 15 117.178 0.000 . . . . . . 41 LEU N . 25897 1 244 . 1 1 42 42 GLY H H 1 7.787 0.000 . . . . . . 42 GLY HN . 25897 1 245 . 1 1 42 42 GLY HA2 H 1 4.089 0.000 . . . . . . 42 GLY HA2 . 25897 1 246 . 1 1 42 42 GLY HA3 H 1 3.682 0.000 . . . . . . 42 GLY HA3 . 25897 1 247 . 1 1 42 42 GLY C C 13 173.982 0.000 . . . . . . 42 GLY C . 25897 1 248 . 1 1 42 42 GLY CA C 13 45.427 0.000 . . . . . . 42 GLY CA . 25897 1 249 . 1 1 42 42 GLY N N 15 106.427 0.000 . . . . . . 42 GLY N . 25897 1 250 . 1 1 43 43 HIS H H 1 8.328 0.000 . . . . . . 43 HIS HN . 25897 1 251 . 1 1 43 43 HIS HA H 1 4.683 0.000 . . . . . . 43 HIS HA . 25897 1 252 . 1 1 43 43 HIS C C 13 172.529 0.000 . . . . . . 43 HIS C . 25897 1 253 . 1 1 43 43 HIS CA C 13 54.653 0.000 . . . . . . 43 HIS CA . 25897 1 254 . 1 1 43 43 HIS CB C 13 30.856 0.000 . . . . . . 43 HIS CB . 25897 1 255 . 1 1 43 43 HIS N N 15 120.342 0.000 . . . . . . 43 HIS N . 25897 1 256 . 1 1 44 44 GLU H H 1 8.471 0.000 . . . . . . 44 GLU HN . 25897 1 257 . 1 1 44 44 GLU HA H 1 4.225 0.000 . . . . . . 44 GLU HA . 25897 1 258 . 1 1 44 44 GLU C C 13 175.457 0.000 . . . . . . 44 GLU C . 25897 1 259 . 1 1 44 44 GLU CA C 13 56.18 0.000 . . . . . . 44 GLU CA . 25897 1 260 . 1 1 44 44 GLU CB C 13 29.966 0.000 . . . . . . 44 GLU CB . 25897 1 261 . 1 1 44 44 GLU N N 15 123.523 0.000 . . . . . . 44 GLU N . 25897 1 262 . 1 1 45 45 VAL H H 1 8.272 0.000 . . . . . . 45 VAL HN . 25897 1 263 . 1 1 45 45 VAL HA H 1 4.417 0.000 . . . . . . 45 VAL HA . 25897 1 264 . 1 1 45 45 VAL C C 13 174.932 0.000 . . . . . . 45 VAL C . 25897 1 265 . 1 1 45 45 VAL CA C 13 60.316 0.000 . . . . . . 45 VAL CA . 25897 1 266 . 1 1 45 45 VAL CB C 13 34.61 0.000 . . . . . . 45 VAL CB . 25897 1 267 . 1 1 45 45 VAL N N 15 123.764 0.000 . . . . . . 45 VAL N . 25897 1 268 . 1 1 46 46 SER H H 1 8.665 0.000 . . . . . . 46 SER HN . 25897 1 269 . 1 1 46 46 SER HA H 1 4.495 0.000 . . . . . . 46 SER HA . 25897 1 270 . 1 1 46 46 SER C C 13 174.641 0.000 . . . . . . 46 SER C . 25897 1 271 . 1 1 46 46 SER CA C 13 57.707 0.000 . . . . . . 46 SER CA . 25897 1 272 . 1 1 46 46 SER CB C 13 64.642 0.000 . . . . . . 46 SER CB . 25897 1 273 . 1 1 46 46 SER N N 15 121.34 0.000 . . . . . . 46 SER N . 25897 1 274 . 1 1 47 47 ASP H H 1 8.824 0.000 . . . . . . 47 ASP HN . 25897 1 275 . 1 1 47 47 ASP HA H 1 4.33 0.000 . . . . . . 47 ASP HA . 25897 1 276 . 1 1 47 47 ASP C C 13 178.652 0.000 . . . . . . 47 ASP C . 25897 1 277 . 1 1 47 47 ASP CA C 13 57.771 0.000 . . . . . . 47 ASP CA . 25897 1 278 . 1 1 47 47 ASP CB C 13 40.337 0.000 . . . . . . 47 ASP CB . 25897 1 279 . 1 1 47 47 ASP N N 15 122.698 0.000 . . . . . . 47 ASP N . 25897 1 280 . 1 1 48 48 LYS H H 1 8.33 0.000 . . . . . . 48 LYS HN . 25897 1 281 . 1 1 48 48 LYS HA H 1 4.089 0.000 . . . . . . 48 LYS HA . 25897 1 282 . 1 1 48 48 LYS C C 13 178.708 0.000 . . . . . . 48 LYS C . 25897 1 283 . 1 1 48 48 LYS CA C 13 59.234 0.000 . . . . . . 48 LYS CA . 25897 1 284 . 1 1 48 48 LYS CB C 13 32.638 0.000 . . . . . . 48 LYS CB . 25897 1 285 . 1 1 48 48 LYS N N 15 119.826 0.000 . . . . . . 48 LYS N . 25897 1 286 . 1 1 49 49 GLN H H 1 7.636 0.000 . . . . . . 49 GLN HN . 25897 1 287 . 1 1 49 49 GLN HA H 1 4.167 0.000 . . . . . . 49 GLN HA . 25897 1 288 . 1 1 49 49 GLN C C 13 178.519 0.000 . . . . . . 49 GLN C . 25897 1 289 . 1 1 49 49 GLN CA C 13 58.343 0.000 . . . . . . 49 GLN CA . 25897 1 290 . 1 1 49 49 GLN CB C 13 29.011 0.000 . . . . . . 49 GLN CB . 25897 1 291 . 1 1 49 49 GLN N N 15 118.623 0.000 . . . . . . 49 GLN N . 25897 1 292 . 1 1 50 50 LEU H H 1 8.427 0.000 . . . . . . 50 LEU HN . 25897 1 293 . 1 1 50 50 LEU HA H 1 4.026 0.000 . . . . . . 50 LEU HA . 25897 1 294 . 1 1 50 50 LEU C C 13 178.15 0.000 . . . . . . 50 LEU C . 25897 1 295 . 1 1 50 50 LEU CA C 13 57.962 0.000 . . . . . . 50 LEU CA . 25897 1 296 . 1 1 50 50 LEU CB C 13 41.737 0.000 . . . . . . 50 LEU CB . 25897 1 297 . 1 1 50 50 LEU N N 15 119.672 0.000 . . . . . . 50 LEU N . 25897 1 298 . 1 1 51 51 THR H H 1 8.077 0.000 . . . . . . 51 THR HN . 25897 1 299 . 1 1 51 51 THR HA H 1 4.245 0.000 . . . . . . 51 THR HA . 25897 1 300 . 1 1 51 51 THR C C 13 176.116 0.000 . . . . . . 51 THR C . 25897 1 301 . 1 1 51 51 THR CA C 13 66.869 0.000 . . . . . . 51 THR CA . 25897 1 302 . 1 1 51 51 THR CB C 13 68.905 0.000 . . . . . . 51 THR CB . 25897 1 303 . 1 1 51 51 THR N N 15 113.262 0.000 . . . . . . 51 THR N . 25897 1 304 . 1 1 52 52 GLU H H 1 7.422 0.000 . . . . . . 52 GLU HN . 25897 1 305 . 1 1 52 52 GLU HA H 1 4.073 0.000 . . . . . . 52 GLU HA . 25897 1 306 . 1 1 52 52 GLU C C 13 179.024 0.000 . . . . . . 52 GLU C . 25897 1 307 . 1 1 52 52 GLU CA C 13 59.298 0.000 . . . . . . 52 GLU CA . 25897 1 308 . 1 1 52 52 GLU CB C 13 29.584 0.000 . . . . . . 52 GLU CB . 25897 1 309 . 1 1 52 52 GLU N N 15 118.691 0.000 . . . . . . 52 GLU N . 25897 1 310 . 1 1 53 53 ILE H H 1 8.015 0.000 . . . . . . 53 ILE HN . 25897 1 311 . 1 1 53 53 ILE HA H 1 3.948 0.000 . . . . . . 53 ILE HA . 25897 1 312 . 1 1 53 53 ILE C C 13 177.669 0.000 . . . . . . 53 ILE C . 25897 1 313 . 1 1 53 53 ILE CA C 13 64.453 0.000 . . . . . . 53 ILE CA . 25897 1 314 . 1 1 53 53 ILE CB C 13 38.174 0.000 . . . . . . 53 ILE CB . 25897 1 315 . 1 1 53 53 ILE N N 15 119.345 0.000 . . . . . . 53 ILE N . 25897 1 316 . 1 1 54 54 ILE H H 1 8.364 0.001 . . . . . . 54 ILE HN . 25897 1 317 . 1 1 54 54 ILE HA H 1 3.572 0.000 . . . . . . 54 ILE HA . 25897 1 318 . 1 1 54 54 ILE C C 13 177.055 0.000 . . . . . . 54 ILE C . 25897 1 319 . 1 1 54 54 ILE CA C 13 66.169 0.000 . . . . . . 54 ILE CA . 25897 1 320 . 1 1 54 54 ILE CB C 13 37.601 0.000 . . . . . . 54 ILE CB . 25897 1 321 . 1 1 54 54 ILE N N 15 120.892 0.000 . . . . . . 54 ILE N . 25897 1 322 . 1 1 55 55 VAL H H 1 7.321 0.000 . . . . . . 55 VAL HN . 25897 1 323 . 1 1 55 55 VAL HA H 1 3.791 0.000 . . . . . . 55 VAL HA . 25897 1 324 . 1 1 55 55 VAL C C 13 178.608 0.000 . . . . . . 55 VAL C . 25897 1 325 . 1 1 55 55 VAL CA C 13 65.699 0.000 . . . . . . 55 VAL CA . 25897 1 326 . 1 1 55 55 VAL CB C 13 31.747 0.000 . . . . . . 55 VAL CB . 25897 1 327 . 1 1 55 55 VAL N N 15 116.129 0.000 . . . . . . 55 VAL N . 25897 1 328 . 1 1 56 56 GLU H H 1 7.469 0.001 . . . . . . 56 GLU HN . 25897 1 329 . 1 1 56 56 GLU HA H 1 4.01 0.000 . . . . . . 56 GLU HA . 25897 1 330 . 1 1 56 56 GLU C C 13 178.731 0.000 . . . . . . 56 GLU C . 25897 1 331 . 1 1 56 56 GLU CA C 13 59.079 0.000 . . . . . . 56 GLU CA . 25897 1 332 . 1 1 56 56 GLU CB C 13 30.093 0.000 . . . . . . 56 GLU CB . 25897 1 333 . 1 1 56 56 GLU N N 15 118.502 0.000 . . . . . . 56 GLU N . 25897 1 334 . 1 1 57 57 VAL H H 1 7.853 0.000 . . . . . . 57 VAL HN . 25897 1 335 . 1 1 57 57 VAL HA H 1 4.354 0.000 . . . . . . 57 VAL HA . 25897 1 336 . 1 1 57 57 VAL C C 13 176.798 0.000 . . . . . . 57 VAL C . 25897 1 337 . 1 1 57 57 VAL CA C 13 62.288 0.000 . . . . . . 57 VAL CA . 25897 1 338 . 1 1 57 57 VAL CB C 13 31.811 0.000 . . . . . . 57 VAL CB . 25897 1 339 . 1 1 57 57 VAL N N 15 109.781 0.000 . . . . . . 57 VAL N . 25897 1 340 . 1 1 58 58 ASP H H 1 7.791 0.000 . . . . . . 58 ASP HN . 25897 1 341 . 1 1 58 58 ASP HA H 1 4.996 0.000 . . . . . . 58 ASP HA . 25897 1 342 . 1 1 58 58 ASP C C 13 177.669 0.000 . . . . . . 58 ASP C . 25897 1 343 . 1 1 58 58 ASP CA C 13 52.935 0.000 . . . . . . 58 ASP CA . 25897 1 344 . 1 1 58 58 ASP CB C 13 38.873 0.000 . . . . . . 58 ASP CB . 25897 1 345 . 1 1 58 58 ASP N N 15 122.062 0.000 . . . . . . 58 ASP N . 25897 1 346 . 1 1 59 59 ALA H H 1 8.279 0.000 . . . . . . 59 ALA HN . 25897 1 347 . 1 1 59 59 ALA HA H 1 4.12 0.000 . . . . . . 59 ALA HA . 25897 1 348 . 1 1 59 59 ALA C C 13 178.585 0.000 . . . . . . 59 ALA C . 25897 1 349 . 1 1 59 59 ALA CA C 13 54.907 0.000 . . . . . . 59 ALA CA . 25897 1 350 . 1 1 59 59 ALA CB C 13 19.086 0.000 . . . . . . 59 ALA CB . 25897 1 351 . 1 1 59 59 ALA N N 15 129.869 0.000 . . . . . . 59 ALA N . 25897 1 352 . 1 1 60 60 ASP H H 1 8.181 0.000 . . . . . . 60 ASP HN . 25897 1 353 . 1 1 60 60 ASP HA H 1 4.652 0.000 . . . . . . 60 ASP HA . 25897 1 354 . 1 1 60 60 ASP C C 13 177.781 0.000 . . . . . . 60 ASP C . 25897 1 355 . 1 1 60 60 ASP CA C 13 52.68 0.000 . . . . . . 60 ASP CA . 25897 1 356 . 1 1 60 60 ASP CB C 13 40.146 0.000 . . . . . . 60 ASP CB . 25897 1 357 . 1 1 60 60 ASP N N 15 113.45 0.000 . . . . . . 60 ASP N . 25897 1 358 . 1 1 61 61 GLY H H 1 7.951 0.000 . . . . . . 61 GLY HN . 25897 1 359 . 1 1 61 61 GLY HA2 H 1 3.854 0.000 . . . . . . 61 GLY QA . 25897 1 360 . 1 1 61 61 GLY HA3 H 1 3.854 0.000 . . . . . . 61 GLY QA . 25897 1 361 . 1 1 61 61 GLY C C 13 175.177 0.000 . . . . . . 61 GLY C . 25897 1 362 . 1 1 61 61 GLY CA C 13 46.89 0.000 . . . . . . 61 GLY CA . 25897 1 363 . 1 1 61 61 GLY N N 15 109.228 0.000 . . . . . . 61 GLY N . 25897 1 364 . 1 1 62 62 SER H H 1 8.384 0.000 . . . . . . 62 SER HN . 25897 1 365 . 1 1 62 62 SER HA H 1 4.198 0.000 . . . . . . 62 SER HA . 25897 1 366 . 1 1 62 62 SER C C 13 175.881 0.000 . . . . . . 62 SER C . 25897 1 367 . 1 1 62 62 SER CA C 13 59.361 0.000 . . . . . . 62 SER CA . 25897 1 368 . 1 1 62 62 SER CB C 13 64.579 0.000 . . . . . . 62 SER CB . 25897 1 369 . 1 1 62 62 SER N N 15 116.404 0.000 . . . . . . 62 SER N . 25897 1 370 . 1 1 63 63 GLY H H 1 10.497 0.000 . . . . . . 63 GLY HN . 25897 1 371 . 1 1 63 63 GLY HA2 H 1 4.135 0.000 . . . . . . 63 GLY HA2 . 25897 1 372 . 1 1 63 63 GLY HA3 H 1 3.469 0.000 . . . . . . 63 GLY HA3 . 25897 1 373 . 1 1 63 63 GLY C C 13 172.775 0.000 . . . . . . 63 GLY C . 25897 1 374 . 1 1 63 63 GLY CA C 13 45.363 0.000 . . . . . . 63 GLY CA . 25897 1 375 . 1 1 63 63 GLY N N 15 115.649 0.000 . . . . . . 63 GLY N . 25897 1 376 . 1 1 64 64 GLN H H 1 7.886 0.000 . . . . . . 64 GLN HN . 25897 1 377 . 1 1 64 64 GLN HA H 1 4.605 0.000 . . . . . . 64 GLN HA . 25897 1 378 . 1 1 64 64 GLN C C 13 174.027 0.000 . . . . . . 64 GLN C . 25897 1 379 . 1 1 64 64 GLN CA C 13 53.253 0.000 . . . . . . 64 GLN CA . 25897 1 380 . 1 1 64 64 GLN CB C 13 30.475 0.000 . . . . . . 64 GLN CB . 25897 1 381 . 1 1 64 64 GLN N N 15 116.783 0.000 . . . . . . 64 GLN N . 25897 1 382 . 1 1 65 65 LEU H H 1 9.116 0.000 . . . . . . 65 LEU HN . 25897 1 383 . 1 1 65 65 LEU HA H 1 5.444 0.000 . . . . . . 65 LEU HA . 25897 1 384 . 1 1 65 65 LEU C C 13 176.105 0.000 . . . . . . 65 LEU C . 25897 1 385 . 1 1 65 65 LEU CA C 13 53.891 0.000 . . . . . . 65 LEU CA . 25897 1 386 . 1 1 65 65 LEU CB C 13 42.118 0.000 . . . . . . 65 LEU CB . 25897 1 387 . 1 1 65 65 LEU N N 15 125.518 0.000 . . . . . . 65 LEU N . 25897 1 388 . 1 1 66 66 GLU H H 1 7.912 0.000 . . . . . . 66 GLU HN . 25897 1 389 . 1 1 66 66 GLU HA H 1 5.152 0.000 . . . . . . 66 GLU HA . 25897 1 390 . 1 1 66 66 GLU C C 13 177.502 0.000 . . . . . . 66 GLU C . 25897 1 391 . 1 1 66 66 GLU CA C 13 57.389 0.000 . . . . . . 66 GLU CA . 25897 1 392 . 1 1 66 66 GLU CB C 13 29.838 0.000 . . . . . . 66 GLU CB . 25897 1 393 . 1 1 66 66 GLU N N 15 124.59 0.000 . . . . . . 66 GLU N . 25897 1 394 . 1 1 67 67 PHE H H 1 9.262 0.000 . . . . . . 67 PHE HN . 25897 1 395 . 1 1 67 67 PHE HA H 1 3.354 0.000 . . . . . . 67 PHE HA . 25897 1 396 . 1 1 67 67 PHE HE1 H 1 7.2 0.000 . . . . . . 67 PHE QE . 25897 1 397 . 1 1 67 67 PHE HE2 H 1 7.2 0.000 . . . . . . 67 PHE QE . 25897 1 398 . 1 1 67 67 PHE HZ H 1 7.373 0.000 . . . . . . 67 PHE HZ . 25897 1 399 . 1 1 67 67 PHE C C 13 176.563 0.000 . . . . . . 67 PHE C . 25897 1 400 . 1 1 67 67 PHE CA C 13 62.844 0.000 . . . . . . 67 PHE CA . 25897 1 401 . 1 1 67 67 PHE CB C 13 38.428 0.000 . . . . . . 67 PHE CB . 25897 1 402 . 1 1 67 67 PHE N N 15 122.612 0.000 . . . . . . 67 PHE N . 25897 1 403 . 1 1 68 68 GLU H H 1 9.376 0.000 . . . . . . 68 GLU HN . 25897 1 404 . 1 1 68 68 GLU HA H 1 3.525 0.000 . . . . . . 68 GLU HA . 25897 1 405 . 1 1 68 68 GLU C C 13 179.177 0.000 . . . . . . 68 GLU C . 25897 1 406 . 1 1 68 68 GLU CA C 13 60.57 0.000 . . . . . . 68 GLU CA . 25897 1 407 . 1 1 68 68 GLU CB C 13 28.439 0.000 . . . . . . 68 GLU CB . 25897 1 408 . 1 1 68 68 GLU N N 15 115.582 0.000 . . . . . . 68 GLU N . 25897 1 409 . 1 1 69 69 GLU H H 1 6.945 0.000 . . . . . . 69 GLU HN . 25897 1 410 . 1 1 69 69 GLU HA H 1 4.182 0.000 . . . . . . 69 GLU HA . 25897 1 411 . 1 1 69 69 GLU C C 13 178.24 0.000 . . . . . . 69 GLU C . 25897 1 412 . 1 1 69 69 GLU CA C 13 58.314 0.000 . . . . . . 69 GLU CA . 25897 1 413 . 1 1 69 69 GLU CB C 13 30.093 0.000 . . . . . . 69 GLU CB . 25897 1 414 . 1 1 69 69 GLU N N 15 118.158 0.000 . . . . . . 69 GLU N . 25897 1 415 . 1 1 70 70 PHE H H 1 8.372 0.003 . . . . . . 70 PHE HN . 25897 1 416 . 1 1 70 70 PHE HA H 1 4.208 0.000 . . . . . . 70 PHE HA . 25897 1 417 . 1 1 70 70 PHE C C 13 176.753 0.000 . . . . . . 70 PHE C . 25897 1 418 . 1 1 70 70 PHE CA C 13 60.952 0.000 . . . . . . 70 PHE CA . 25897 1 419 . 1 1 70 70 PHE CB C 13 38.873 0.000 . . . . . . 70 PHE CB . 25897 1 420 . 1 1 70 70 PHE N N 15 119.518 0.003 . . . . . . 70 PHE N . 25897 1 421 . 1 1 71 71 VAL H H 1 8.373 0.000 . . . . . . 71 VAL HN . 25897 1 422 . 1 1 71 71 VAL HA H 1 2.915 0.000 . . . . . . 71 VAL HA . 25897 1 423 . 1 1 71 71 VAL C C 13 176.138 0.000 . . . . . . 71 VAL C . 25897 1 424 . 1 1 71 71 VAL CA C 13 67.251 0.000 . . . . . . 71 VAL CA . 25897 1 425 . 1 1 71 71 VAL CB C 13 30.92 0.000 . . . . . . 71 VAL CB . 25897 1 426 . 1 1 71 71 VAL N N 15 119.517 0.000 . . . . . . 71 VAL N . 25897 1 427 . 1 1 72 72 THR H H 1 7.321 0.000 . . . . . . 72 THR HN . 25897 1 428 . 1 1 72 72 THR HA H 1 4.354 0.000 . . . . . . 72 THR HA . 25897 1 429 . 1 1 72 72 THR C C 13 176.138 0.000 . . . . . . 72 THR C . 25897 1 430 . 1 1 72 72 THR CA C 13 66.869 0.000 . . . . . . 72 THR CA . 25897 1 431 . 1 1 72 72 THR CB C 13 68.396 0.000 . . . . . . 72 THR CB . 25897 1 432 . 1 1 72 72 THR N N 15 115.335 0.000 . . . . . . 72 THR N . 25897 1 433 . 1 1 73 73 LEU H H 1 7.8 0.000 . . . . . . 73 LEU HN . 25897 1 434 . 1 1 73 73 LEU HA H 1 3.807 0.000 . . . . . . 73 LEU HA . 25897 1 435 . 1 1 73 73 LEU C C 13 177.557 0.000 . . . . . . 73 LEU C . 25897 1 436 . 1 1 73 73 LEU CA C 13 59.043 0.000 . . . . . . 73 LEU CA . 25897 1 437 . 1 1 73 73 LEU CB C 13 42.118 0.000 . . . . . . 73 LEU CB . 25897 1 438 . 1 1 73 73 LEU N N 15 122.457 0.000 . . . . . . 73 LEU N . 25897 1 439 . 1 1 74 74 ALA H H 1 8.628 0.000 . . . . . . 74 ALA HN . 25897 1 440 . 1 1 74 74 ALA HA H 1 3.713 0.000 . . . . . . 74 ALA HA . 25897 1 441 . 1 1 74 74 ALA C C 13 179.557 0.000 . . . . . . 74 ALA C . 25897 1 442 . 1 1 74 74 ALA CA C 13 54.971 0.000 . . . . . . 74 ALA CA . 25897 1 443 . 1 1 74 74 ALA CB C 13 18.386 0.000 . . . . . . 74 ALA CB . 25897 1 444 . 1 1 74 74 ALA N N 15 119.844 0.000 . . . . . . 74 ALA N . 25897 1 445 . 1 1 75 75 ALA H H 1 8.542 0.000 . . . . . . 75 ALA HN . 25897 1 446 . 1 1 75 75 ALA HA H 1 3.807 0.000 . . . . . . 75 ALA HA . 25897 1 447 . 1 1 75 75 ALA C C 13 179.032 0.000 . . . . . . 75 ALA C . 25897 1 448 . 1 1 75 75 ALA CA C 13 55.289 0.000 . . . . . . 75 ALA CA . 25897 1 449 . 1 1 75 75 ALA CB C 13 18.195 0.000 . . . . . . 75 ALA CB . 25897 1 450 . 1 1 75 75 ALA N N 15 118.829 0.000 . . . . . . 75 ALA N . 25897 1 451 . 1 1 76 76 ARG H H 1 7.269 0.000 . . . . . . 76 ARG HN . 25897 1 452 . 1 1 76 76 ARG HA H 1 3.917 0.000 . . . . . . 76 ARG HA . 25897 1 453 . 1 1 76 76 ARG C C 13 176.887 0.000 . . . . . . 76 ARG C . 25897 1 454 . 1 1 76 76 ARG CA C 13 57.771 0.000 . . . . . . 76 ARG CA . 25897 1 455 . 1 1 76 76 ARG CB C 13 29.075 0.000 . . . . . . 76 ARG CB . 25897 1 456 . 1 1 76 76 ARG N N 15 114.862 0.000 . . . . . . 76 ARG N . 25897 1 457 . 1 1 77 77 PHE H H 1 7.398 0.000 . . . . . . 77 PHE HN . 25897 1 458 . 1 1 77 77 PHE HA H 1 4.339 0.000 . . . . . . 77 PHE HA . 25897 1 459 . 1 1 77 77 PHE C C 13 176.049 0.000 . . . . . . 77 PHE C . 25897 1 460 . 1 1 77 77 PHE CA C 13 58.916 0.000 . . . . . . 77 PHE CA . 25897 1 461 . 1 1 77 77 PHE CB C 13 39.51 0.000 . . . . . . 77 PHE CB . 25897 1 462 . 1 1 77 77 PHE N N 15 115.571 0.000 . . . . . . 77 PHE N . 25897 1 463 . 1 1 78 78 LEU H H 1 7.655 0.000 . . . . . . 78 LEU HN . 25897 1 464 . 1 1 78 78 LEU HA H 1 4.245 0.000 . . . . . . 78 LEU HA . 25897 1 465 . 1 1 78 78 LEU C C 13 177.446 0.000 . . . . . . 78 LEU C . 25897 1 466 . 1 1 78 78 LEU CA C 13 55.862 0.000 . . . . . . 78 LEU CA . 25897 1 467 . 1 1 78 78 LEU CB C 13 42.118 0.000 . . . . . . 78 LEU CB . 25897 1 468 . 1 1 78 78 LEU N N 15 118.176 0.000 . . . . . . 78 LEU N . 25897 1 469 . 1 1 79 79 THR H H 1 7.585 0.000 . . . . . . 79 THR HN . 25897 1 470 . 1 1 79 79 THR HA H 1 4.401 0.000 . . . . . . 79 THR HA . 25897 1 471 . 1 1 79 79 THR C C 13 174.429 0.000 . . . . . . 79 THR C . 25897 1 472 . 1 1 79 79 THR CA C 13 61.779 0.000 . . . . . . 79 THR CA . 25897 1 473 . 1 1 79 79 THR CB C 13 69.86 0.000 . . . . . . 79 THR CB . 25897 1 474 . 1 1 79 79 THR N N 15 110.987 0.000 . . . . . . 79 THR N . 25897 1 475 . 1 1 80 80 GLU H H 1 8.123 0.000 . . . . . . 80 GLU HN . 25897 1 476 . 1 1 80 80 GLU HA H 1 4.339 0.000 . . . . . . 80 GLU HA . 25897 1 477 . 1 1 80 80 GLU C C 13 176.094 0.000 . . . . . . 80 GLU C . 25897 1 478 . 1 1 80 80 GLU CA C 13 56.562 0.000 . . . . . . 80 GLU CA . 25897 1 479 . 1 1 80 80 GLU CB C 13 30.284 0.000 . . . . . . 80 GLU CB . 25897 1 480 . 1 1 80 80 GLU N N 15 122.836 0.000 . . . . . . 80 GLU N . 25897 1 481 . 1 1 81 81 ASP H H 1 8.408 0.001 . . . . . . 81 ASP HN . 25897 1 482 . 1 1 81 81 ASP HA H 1 4.66 0.000 . . . . . . 81 ASP HA . 25897 1 483 . 1 1 81 81 ASP C C 13 175.926 0.000 . . . . . . 81 ASP C . 25897 1 484 . 1 1 81 81 ASP CA C 13 54.335 0.000 . . . . . . 81 ASP CA . 25897 1 485 . 1 1 81 81 ASP CB C 13 41.125 0.000 . . . . . . 81 ASP CB . 25897 1 486 . 1 1 81 81 ASP N N 15 121.984 0.096 . . . . . . 81 ASP N . 25897 1 487 . 1 1 82 82 ASN H H 1 8.455 0.000 . . . . . . 82 ASN HN . 25897 1 488 . 1 1 82 82 ASN HA H 1 4.777 0.000 . . . . . . 82 ASN HA . 25897 1 489 . 1 1 82 82 ASN C C 13 175.367 0.000 . . . . . . 82 ASN C . 25897 1 490 . 1 1 82 82 ASN CA C 13 53.253 0.000 . . . . . . 82 ASN CA . 25897 1 491 . 1 1 82 82 ASN CB C 13 39.064 0.000 . . . . . . 82 ASN CB . 25897 1 492 . 1 1 82 82 ASN N N 15 119.93 0.000 . . . . . . 82 ASN N . 25897 1 493 . 1 1 83 83 GLU H H 1 8.479 0.000 . . . . . . 83 GLU HN . 25897 1 494 . 1 1 83 83 GLU HA H 1 4.294 0.000 . . . . . . 83 GLU HA . 25897 1 495 . 1 1 83 83 GLU C C 13 176.664 0.000 . . . . . . 83 GLU C . 25897 1 496 . 1 1 83 83 GLU CA C 13 56.816 0.000 . . . . . . 83 GLU CA . 25897 1 497 . 1 1 83 83 GLU CB C 13 30.093 0.000 . . . . . . 83 GLU CB . 25897 1 498 . 1 1 83 83 GLU N N 15 121.769 0.000 . . . . . . 83 GLU N . 25897 1 499 . 1 1 84 84 GLU H H 1 8.488 0.000 . . . . . . 84 GLU HN . 25897 1 500 . 1 1 84 84 GLU HA H 1 4.276 0.000 . . . . . . 84 GLU HA . 25897 1 501 . 1 1 84 84 GLU C C 13 176.429 0.000 . . . . . . 84 GLU C . 25897 1 502 . 1 1 84 84 GLU CA C 13 56.78 0.000 . . . . . . 84 GLU CA . 25897 1 503 . 1 1 84 84 GLU CB C 13 30.208 0.000 . . . . . . 84 GLU CB . 25897 1 504 . 1 1 84 84 GLU N N 15 122.062 0.000 . . . . . . 84 GLU N . 25897 1 505 . 1 1 85 85 ASP H H 1 8.405 0.001 . . . . . . 85 ASP HN . 25897 1 506 . 1 1 85 85 ASP HA H 1 4.652 0.000 . . . . . . 85 ASP HA . 25897 1 507 . 1 1 85 85 ASP C C 13 176.429 0.000 . . . . . . 85 ASP C . 25897 1 508 . 1 1 85 85 ASP CA C 13 54.481 0.000 . . . . . . 85 ASP CA . 25897 1 509 . 1 1 85 85 ASP CB C 13 41.137 0.000 . . . . . . 85 ASP CB . 25897 1 510 . 1 1 85 85 ASP N N 15 121.787 0.000 . . . . . . 85 ASP N . 25897 1 511 . 1 1 86 86 SER H H 1 8.257 0.000 . . . . . . 86 SER HN . 25897 1 512 . 1 1 86 86 SER HA H 1 4.417 0.000 . . . . . . 86 SER HA . 25897 1 513 . 1 1 86 86 SER C C 13 174.217 0.000 . . . . . . 86 SER C . 25897 1 514 . 1 1 86 86 SER CA C 13 58.519 0.000 . . . . . . 86 SER CA . 25897 1 515 . 1 1 86 86 SER CB C 13 63.906 0.000 . . . . . . 86 SER CB . 25897 1 516 . 1 1 86 86 SER N N 15 116.576 0.000 . . . . . . 86 SER N . 25897 1 517 . 1 1 87 87 ALA H H 1 8.3 0.000 . . . . . . 87 ALA HN . 25897 1 518 . 1 1 87 87 ALA HA H 1 4.37 0.000 . . . . . . 87 ALA HA . 25897 1 519 . 1 1 87 87 ALA C C 13 176.485 0.000 . . . . . . 87 ALA C . 25897 1 520 . 1 1 87 87 ALA CA C 13 52.553 0.000 . . . . . . 87 ALA CA . 25897 1 521 . 1 1 87 87 ALA CB C 13 19.404 0.000 . . . . . . 87 ALA CB . 25897 1 522 . 1 1 87 87 ALA N N 15 126.619 0.000 . . . . . . 87 ALA N . 25897 1 523 . 1 1 88 88 ALA H H 1 7.869 0.000 . . . . . . 88 ALA HN . 25897 1 524 . 1 1 88 88 ALA HA H 1 4.104 0.000 . . . . . . 88 ALA HA . 25897 1 525 . 1 1 88 88 ALA C C 13 172.697 0.000 . . . . . . 88 ALA C . 25897 1 526 . 1 1 88 88 ALA CA C 13 53.889 0.000 . . . . . . 88 ALA CA . 25897 1 527 . 1 1 88 88 ALA CB C 13 20.167 0.000 . . . . . . 88 ALA CB . 25897 1 528 . 1 1 88 88 ALA N N 15 129.112 0.000 . . . . . . 88 ALA N . 25897 1 529 . 1 1 89 89 MET H H 1 9.003 0.000 . . . . . . 89 MET HN . 25897 1 530 . 1 1 89 89 MET C C 13 177.833 0.000 . . . . . . 89 MET C . 25897 1 531 . 1 1 89 89 MET CA C 13 58.679 0.000 . . . . . . 89 MET CA . 25897 1 532 . 1 1 89 89 MET CB C 13 32.637 0.000 . . . . . . 89 MET CB . 25897 1 533 . 1 1 89 89 MET N N 15 122.000 0.000 . . . . . . 89 MET N . 25897 1 534 . 1 1 90 90 MET H H 1 8.909 0.000 . . . . . . 90 MET HN . 25897 1 535 . 1 1 90 90 MET HA H 1 4.204 0.000 . . . . . . 90 MET HA . 25897 1 536 . 1 1 90 90 MET C C 13 178.119 0.000 . . . . . . 90 MET C . 25897 1 537 . 1 1 90 90 MET CA C 13 58.910 0.000 . . . . . . 90 MET CA . 25897 1 538 . 1 1 90 90 MET CB C 13 31.357 0.000 . . . . . . 90 MET CB . 25897 1 539 . 1 1 90 90 MET N N 15 117.929 0.000 . . . . . . 90 MET N . 25897 1 540 . 1 1 91 91 GLU H H 1 8.272 0.000 . . . . . . 91 GLU HN . 25897 1 541 . 1 1 91 91 GLU HA H 1 3.959 0.000 . . . . . . 91 GLU HA . 25897 1 542 . 1 1 91 91 GLU C C 13 179.620 0.000 . . . . . . 91 GLU C . 25897 1 543 . 1 1 91 91 GLU CA C 13 61.031 0.000 . . . . . . 91 GLU CA . 25897 1 544 . 1 1 91 91 GLU CB C 13 28.400 0.000 . . . . . . 91 GLU CB . 25897 1 545 . 1 1 91 91 GLU N N 15 118.595 0.000 . . . . . . 91 GLU N . 25897 1 546 . 1 1 92 92 GLU H H 1 8.097 0.000 . . . . . . 92 GLU HN . 25897 1 547 . 1 1 92 92 GLU HA H 1 4.126 0.000 . . . . . . 92 GLU HA . 25897 1 548 . 1 1 92 92 GLU C C 13 180.246 0.000 . . . . . . 92 GLU C . 25897 1 549 . 1 1 92 92 GLU CA C 13 59.408 0.000 . . . . . . 92 GLU CA . 25897 1 550 . 1 1 92 92 GLU CB C 13 29.199 0.000 . . . . . . 92 GLU CB . 25897 1 551 . 1 1 92 92 GLU N N 15 119.892 0.000 . . . . . . 92 GLU N . 25897 1 552 . 1 1 93 93 LEU H H 1 8.585 0.000 . . . . . . 93 LEU HN . 25897 1 553 . 1 1 93 93 LEU HA H 1 4.333 0.000 . . . . . . 93 LEU HA . 25897 1 554 . 1 1 93 93 LEU C C 13 178.941 0.000 . . . . . . 93 LEU C . 25897 1 555 . 1 1 93 93 LEU CA C 13 58.209 0.000 . . . . . . 93 LEU CA . 25897 1 556 . 1 1 93 93 LEU CB C 13 41.826 0.000 . . . . . . 93 LEU CB . 25897 1 557 . 1 1 93 93 LEU N N 15 121.578 0.000 . . . . . . 93 LEU N . 25897 1 558 . 1 1 94 94 ARG H H 1 8.428 0.000 . . . . . . 94 ARG HN . 25897 1 559 . 1 1 94 94 ARG HA H 1 3.934 0.000 . . . . . . 94 ARG HA . 25897 1 560 . 1 1 94 94 ARG C C 13 178.941 0.000 . . . . . . 94 ARG C . 25897 1 561 . 1 1 94 94 ARG CA C 13 60.127 0.000 . . . . . . 94 ARG CA . 25897 1 562 . 1 1 94 94 ARG CB C 13 29.918 0.000 . . . . . . 94 ARG CB . 25897 1 563 . 1 1 94 94 ARG N N 15 120.199 0.000 . . . . . . 94 ARG N . 25897 1 564 . 1 1 95 95 GLU H H 1 7.912 0.000 . . . . . . 95 GLU HN . 25897 1 565 . 1 1 95 95 GLU HA H 1 4.125 0.000 . . . . . . 95 GLU HA . 25897 1 566 . 1 1 95 95 GLU C C 13 178.476 0.000 . . . . . . 95 GLU C . 25897 1 567 . 1 1 95 95 GLU CA C 13 58.849 0.000 . . . . . . 95 GLU CA . 25897 1 568 . 1 1 95 95 GLU CB C 13 29.199 0.000 . . . . . . 95 GLU CB . 25897 1 569 . 1 1 95 95 GLU N N 15 118.688 0.000 . . . . . . 95 GLU N . 25897 1 570 . 1 1 96 96 ALA H H 1 7.977 0.000 . . . . . . 96 ALA HN . 25897 1 571 . 1 1 96 96 ALA HA H 1 4.125 0.000 . . . . . . 96 ALA HA . 25897 1 572 . 1 1 96 96 ALA C C 13 179.030 0.000 . . . . . . 96 ALA C . 25897 1 573 . 1 1 96 96 ALA CA C 13 55.252 0.000 . . . . . . 96 ALA CA . 25897 1 574 . 1 1 96 96 ALA CB C 13 18.010 0.000 . . . . . . 96 ALA CB . 25897 1 575 . 1 1 96 96 ALA N N 15 122.021 0.000 . . . . . . 96 ALA N . 25897 1 576 . 1 1 97 97 PHE H H 1 8.432 0.000 . . . . . . 97 PHE HN . 25897 1 577 . 1 1 97 97 PHE HA H 1 3.619 0.000 . . . . . . 97 PHE HA . 25897 1 578 . 1 1 97 97 PHE C C 13 177.082 0.000 . . . . . . 97 PHE C . 25897 1 579 . 1 1 97 97 PHE CA C 13 62.365 0.000 . . . . . . 97 PHE CA . 25897 1 580 . 1 1 97 97 PHE CB C 13 39.828 0.000 . . . . . . 97 PHE CB . 25897 1 581 . 1 1 97 97 PHE N N 15 117.427 0.000 . . . . . . 97 PHE N . 25897 1 582 . 1 1 98 98 ARG H H 1 7.973 0.000 . . . . . . 98 ARG HN . 25897 1 583 . 1 1 98 98 ARG HA H 1 3.946 0.000 . . . . . . 98 ARG HA . 25897 1 584 . 1 1 98 98 ARG C C 13 178.565 0.000 . . . . . . 98 ARG C . 25897 1 585 . 1 1 98 98 ARG CA C 13 59.089 0.000 . . . . . . 98 ARG CA . 25897 1 586 . 1 1 98 98 ARG CB C 13 30.238 0.000 . . . . . . 98 ARG CB . 25897 1 587 . 1 1 98 98 ARG N N 15 116.107 0.000 . . . . . . 98 ARG N . 25897 1 588 . 1 1 99 99 LEU H H 1 7.679 0.000 . . . . . . 99 LEU HN . 25897 1 589 . 1 1 99 99 LEU HA H 1 3.916 0.000 . . . . . . 99 LEU HA . 25897 1 590 . 1 1 99 99 LEU C C 13 178.816 0.000 . . . . . . 99 LEU C . 25897 1 591 . 1 1 99 99 LEU CA C 13 57.170 0.000 . . . . . . 99 LEU CA . 25897 1 592 . 1 1 99 99 LEU CB C 13 41.746 0.000 . . . . . . 99 LEU CB . 25897 1 593 . 1 1 99 99 LEU N N 15 118.560 0.000 . . . . . . 99 LEU N . 25897 1 594 . 1 1 100 100 TYR H H 1 7.486 0.000 . . . . . . 100 TYR HN . 25897 1 595 . 1 1 100 100 TYR HA H 1 4.303 0.000 . . . . . . 100 TYR HA . 25897 1 596 . 1 1 100 100 TYR C C 13 176.635 0.000 . . . . . . 100 TYR C . 25897 1 597 . 1 1 100 100 TYR CA C 13 59.808 0.000 . . . . . . 100 TYR CA . 25897 1 598 . 1 1 100 100 TYR CB C 13 38.789 0.000 . . . . . . 100 TYR CB . 25897 1 599 . 1 1 100 100 TYR N N 15 115.581 0.000 . . . . . . 100 TYR N . 25897 1 600 . 1 1 101 101 ASP H H 1 7.912 0.000 . . . . . . 101 ASP HN . 25897 1 601 . 1 1 101 101 ASP HA H 1 4.809 0.000 . . . . . . 101 ASP HA . 25897 1 602 . 1 1 101 101 ASP C C 13 177.368 0.000 . . . . . . 101 ASP C . 25897 1 603 . 1 1 101 101 ASP CA C 13 52.535 0.000 . . . . . . 101 ASP CA . 25897 1 604 . 1 1 101 101 ASP CB C 13 39.029 0.000 . . . . . . 101 ASP CB . 25897 1 605 . 1 1 101 101 ASP N N 15 121.998 0.000 . . . . . . 101 ASP N . 25897 1 606 . 1 1 102 102 LYS H H 1 7.715 0.000 . . . . . . 102 LYS HN . 25897 1 607 . 1 1 102 102 LYS HA H 1 3.961 0.000 . . . . . . 102 LYS HA . 25897 1 608 . 1 1 102 102 LYS C C 13 177.904 0.000 . . . . . . 102 LYS C . 25897 1 609 . 1 1 102 102 LYS CA C 13 59.168 0.000 . . . . . . 102 LYS CA . 25897 1 610 . 1 1 102 102 LYS CB C 13 32.316 0.000 . . . . . . 102 LYS CB . 25897 1 611 . 1 1 102 102 LYS N N 15 122.325 0.000 . . . . . . 102 LYS N . 25897 1 612 . 1 1 103 103 ASP H H 1 8.296 0.000 . . . . . . 103 ASP HN . 25897 1 613 . 1 1 103 103 ASP C C 13 176.921 0.000 . . . . . . 103 ASP C . 25897 1 614 . 1 1 103 103 ASP CA C 13 53.654 0.000 . . . . . . 103 ASP CA . 25897 1 615 . 1 1 103 103 ASP CB C 13 40.176 0.000 . . . . . . 103 ASP CB . 25897 1 616 . 1 1 103 103 ASP N N 15 114.280 0.000 . . . . . . 103 ASP N . 25897 1 617 . 1 1 104 104 GLY H H 1 7.685 0.000 . . . . . . 104 GLY HN . 25897 1 618 . 1 1 104 104 GLY HA2 H 1 3.876 0.000 . . . . . . 104 GLY HA2 . 25897 1 619 . 1 1 104 104 GLY HA3 H 1 3.787 0.000 . . . . . . 104 GLY HA3 . 25897 1 620 . 1 1 104 104 GLY C C 13 175.283 0.000 . . . . . . 104 GLY C . 25897 1 621 . 1 1 104 104 GLY CA C 13 47.022 0.000 . . . . . . 104 GLY CA . 25897 1 622 . 1 1 104 104 GLY N N 15 108.737 0.000 . . . . . . 104 GLY N . 25897 1 623 . 1 1 105 105 ASN C C 13 176.313 0.000 . . . . . . 105 ASN C . 25897 1 624 . 1 1 105 105 ASN CA C 13 53.254 0.000 . . . . . . 105 ASN CA . 25897 1 625 . 1 1 105 105 ASN CB C 13 38.469 0.000 . . . . . . 105 ASN CB . 25897 1 626 . 1 1 106 106 GLY H H 1 10.518 0.000 . . . . . . 106 GLY HN . 25897 1 627 . 1 1 106 106 GLY HA2 H 1 4.259 0.000 . . . . . . 106 GLY HA2 . 25897 1 628 . 1 1 106 106 GLY HA3 H 1 3.604 0.000 . . . . . . 106 GLY HA3 . 25897 1 629 . 1 1 106 106 GLY C C 13 173.327 0.000 . . . . . . 106 GLY C . 25897 1 630 . 1 1 106 106 GLY CA C 13 45.342 0.000 . . . . . . 106 GLY CA . 25897 1 631 . 1 1 106 106 GLY N N 15 112.018 0.000 . . . . . . 106 GLY N . 25897 1 632 . 1 1 107 107 TYR H H 1 7.393 0.000 . . . . . . 107 TYR HN . 25897 1 633 . 1 1 107 107 TYR HA H 1 5.566 0.000 . . . . . . 107 TYR HA . 25897 1 634 . 1 1 107 107 TYR CA C 13 56.531 0.000 . . . . . . 107 TYR CA . 25897 1 635 . 1 1 107 107 TYR CB C 13 41.586 0.000 . . . . . . 107 TYR CB . 25897 1 636 . 1 1 107 107 TYR N N 15 114.369 0.000 . . . . . . 107 TYR N . 25897 1 637 . 1 1 108 108 ILE C C 13 175.902 0.000 . . . . . . 108 ILE C . 25897 1 638 . 1 1 108 108 ILE CA C 13 59.089 0.000 . . . . . . 108 ILE CA . 25897 1 639 . 1 1 108 108 ILE CB C 13 41.267 0.000 . . . . . . 108 ILE CB . 25897 1 640 . 1 1 109 109 THR H H 1 8.245 0.000 . . . . . . 109 THR HN . 25897 1 641 . 1 1 109 109 THR HA H 1 4.987 0.000 . . . . . . 109 THR HA . 25897 1 642 . 1 1 109 109 THR C C 13 176.152 0.000 . . . . . . 109 THR C . 25897 1 643 . 1 1 109 109 THR CA C 13 61.806 0.000 . . . . . . 109 THR CA . 25897 1 644 . 1 1 109 109 THR CB C 13 70.597 0.000 . . . . . . 109 THR CB . 25897 1 645 . 1 1 109 109 THR N N 15 112.869 0.000 . . . . . . 109 THR N . 25897 1 646 . 1 1 110 110 THR H H 1 8.102 0.000 . . . . . . 110 THR HN . 25897 1 647 . 1 1 110 110 THR HA H 1 3.844 0.000 . . . . . . 110 THR HA . 25897 1 648 . 1 1 110 110 THR C C 13 177.028 0.000 . . . . . . 110 THR C . 25897 1 649 . 1 1 110 110 THR CA C 13 65.402 0.000 . . . . . . 110 THR CA . 25897 1 650 . 1 1 110 110 THR CB C 13 67.480 0.000 . . . . . . 110 THR CB . 25897 1 651 . 1 1 110 110 THR N N 15 110.707 0.000 . . . . . . 110 THR N . 25897 1 652 . 1 1 111 111 GLU H H 1 8.279 0.000 . . . . . . 111 GLU HN . 25897 1 653 . 1 1 111 111 GLU C C 13 179.048 0.000 . . . . . . 111 GLU C . 25897 1 654 . 1 1 111 111 GLU CA C 13 60.527 0.000 . . . . . . 111 GLU CA . 25897 1 655 . 1 1 111 111 GLU CB C 13 29.119 0.000 . . . . . . 111 GLU CB . 25897 1 656 . 1 1 111 111 GLU N N 15 121.649 0.029 . . . . . . 111 GLU N . 25897 1 657 . 1 1 112 112 VAL H H 1 7.435 0.000 . . . . . . 112 VAL HN . 25897 1 658 . 1 1 112 112 VAL HA H 1 3.755 0.000 . . . . . . 112 VAL HA . 25897 1 659 . 1 1 112 112 VAL C C 13 178.083 0.000 . . . . . . 112 VAL C . 25897 1 660 . 1 1 112 112 VAL CA C 13 66.041 0.000 . . . . . . 112 VAL CA . 25897 1 661 . 1 1 112 112 VAL CB C 13 31.437 0.000 . . . . . . 112 VAL CB . 25897 1 662 . 1 1 112 112 VAL N N 15 121.251 0.000 . . . . . . 112 VAL N . 25897 1 663 . 1 1 113 113 LEU H H 1 7.966 0.000 . . . . . . 113 LEU HN . 25897 1 664 . 1 1 113 113 LEU HA H 1 3.859 0.000 . . . . . . 113 LEU HA . 25897 1 665 . 1 1 113 113 LEU C C 13 177.475 0.000 . . . . . . 113 LEU C . 25897 1 666 . 1 1 113 113 LEU CA C 13 57.730 0.000 . . . . . . 113 LEU CA . 25897 1 667 . 1 1 113 113 LEU CB C 13 41.187 0.000 . . . . . . 113 LEU CB . 25897 1 668 . 1 1 113 113 LEU N N 15 120.374 0.000 . . . . . . 113 LEU N . 25897 1 669 . 1 1 114 114 ARG C C 13 177.314 0.000 . . . . . . 114 ARG C . 25897 1 670 . 1 1 114 114 ARG CA C 13 60.447 0.000 . . . . . . 114 ARG CA . 25897 1 671 . 1 1 114 114 ARG CB C 13 30.637 0.000 . . . . . . 114 ARG CB . 25897 1 672 . 1 1 115 115 GLU H H 1 7.108 0.000 . . . . . . 115 GLU HN . 25897 1 673 . 1 1 115 115 GLU HA H 1 3.948 0.000 . . . . . . 115 GLU HA . 25897 1 674 . 1 1 115 115 GLU C C 13 179.281 0.000 . . . . . . 115 GLU C . 25897 1 675 . 1 1 115 115 GLU CA C 13 59.009 0.000 . . . . . . 115 GLU CA . 25897 1 676 . 1 1 115 115 GLU CB C 13 29.119 0.000 . . . . . . 115 GLU CB . 25897 1 677 . 1 1 115 115 GLU N N 15 116.189 0.000 . . . . . . 115 GLU N . 25897 1 678 . 1 1 116 116 ILE H H 1 7.799 0.000 . . . . . . 116 ILE HN . 25897 1 679 . 1 1 116 116 ILE HA H 1 3.443 0.000 . . . . . . 116 ILE HA . 25897 1 680 . 1 1 116 116 ILE C C 13 178.458 0.000 . . . . . . 116 ILE C . 25897 1 681 . 1 1 116 116 ILE CA C 13 65.482 0.000 . . . . . . 116 ILE CA . 25897 1 682 . 1 1 116 116 ILE CB C 13 38.310 0.000 . . . . . . 116 ILE CB . 25897 1 683 . 1 1 116 116 ILE N N 15 120.550 0.000 . . . . . . 116 ILE N . 25897 1 684 . 1 1 117 117 LEU H H 1 8.323 0.000 . . . . . . 117 LEU HN . 25897 1 685 . 1 1 117 117 LEU HA H 1 3.936 0.000 . . . . . . 117 LEU HA . 25897 1 686 . 1 1 117 117 LEU C C 13 179.066 0.000 . . . . . . 117 LEU C . 25897 1 687 . 1 1 117 117 LEU CA C 13 58.369 0.000 . . . . . . 117 LEU CA . 25897 1 688 . 1 1 117 117 LEU CB C 13 41.347 0.000 . . . . . . 117 LEU CB . 25897 1 689 . 1 1 117 117 LEU N N 15 118.303 0.000 . . . . . . 117 LEU N . 25897 1 690 . 1 1 118 118 LYS H H 1 7.701 0.000 . . . . . . 118 LYS HN . 25897 1 691 . 1 1 118 118 LYS HA H 1 4.070 0.000 . . . . . . 118 LYS HA . 25897 1 692 . 1 1 118 118 LYS C C 13 178.208 0.000 . . . . . . 118 LYS C . 25897 1 693 . 1 1 118 118 LYS CA C 13 58.449 0.000 . . . . . . 118 LYS CA . 25897 1 694 . 1 1 118 118 LYS CB C 13 32.476 0.000 . . . . . . 118 LYS CB . 25897 1 695 . 1 1 118 118 LYS N N 15 117.228 0.000 . . . . . . 118 LYS N . 25897 1 696 . 1 1 119 119 GLU H H 1 7.526 0.000 . . . . . . 119 GLU HN . 25897 1 697 . 1 1 119 119 GLU HA H 1 4.085 0.000 . . . . . . 119 GLU HA . 25897 1 698 . 1 1 119 119 GLU C C 13 178.673 0.000 . . . . . . 119 GLU C . 25897 1 699 . 1 1 119 119 GLU CA C 13 58.369 0.000 . . . . . . 119 GLU CA . 25897 1 700 . 1 1 119 119 GLU CB C 13 29.279 0.000 . . . . . . 119 GLU CB . 25897 1 701 . 1 1 119 119 GLU N N 15 118.034 0.000 . . . . . . 119 GLU N . 25897 1 702 . 1 1 120 120 LEU H H 1 7.744 0.000 . . . . . . 120 LEU HN . 25897 1 703 . 1 1 120 120 LEU HA H 1 4.160 0.000 . . . . . . 120 LEU HA . 25897 1 704 . 1 1 120 120 LEU C C 13 177.725 0.000 . . . . . . 120 LEU C . 25897 1 705 . 1 1 120 120 LEU CA C 13 56.691 0.000 . . . . . . 120 LEU CA . 25897 1 706 . 1 1 120 120 LEU CB C 13 42.545 0.000 . . . . . . 120 LEU CB . 25897 1 707 . 1 1 120 120 LEU N N 15 118.980 0.000 . . . . . . 120 LEU N . 25897 1 708 . 1 1 121 121 ASP H H 1 7.719 0.000 . . . . . . 121 ASP HN . 25897 1 709 . 1 1 121 121 ASP HA H 1 4.652 0.000 . . . . . . 121 ASP HA . 25897 1 710 . 1 1 121 121 ASP C C 13 174.722 0.000 . . . . . . 121 ASP C . 25897 1 711 . 1 1 121 121 ASP CA C 13 53.654 0.000 . . . . . . 121 ASP CA . 25897 1 712 . 1 1 121 121 ASP CB C 13 41.187 0.000 . . . . . . 121 ASP CB . 25897 1 713 . 1 1 121 121 ASP N N 15 118.291 0.000 . . . . . . 121 ASP N . 25897 1 714 . 1 1 122 122 ASP H H 1 8.396 0.000 . . . . . . 122 ASP HN . 25897 1 715 . 1 1 122 122 ASP HA H 1 4.563 0.000 . . . . . . 122 ASP HA . 25897 1 716 . 1 1 122 122 ASP C C 13 177.332 0.000 . . . . . . 122 ASP C . 25897 1 717 . 1 1 122 122 ASP CA C 13 55.492 0.000 . . . . . . 122 ASP CA . 25897 1 718 . 1 1 122 122 ASP CB C 13 40.388 0.000 . . . . . . 122 ASP CB . 25897 1 719 . 1 1 122 122 ASP N N 15 122.804 0.000 . . . . . . 122 ASP N . 25897 1 720 . 1 1 123 123 LYS H H 1 8.232 0.000 . . . . . . 123 LYS HN . 25897 1 721 . 1 1 123 123 LYS HA H 1 4.354 0.000 . . . . . . 123 LYS HA . 25897 1 722 . 1 1 123 123 LYS C C 13 177.296 0.000 . . . . . . 123 LYS C . 25897 1 723 . 1 1 123 123 LYS CA C 13 55.572 0.000 . . . . . . 123 LYS CA . 25897 1 724 . 1 1 123 123 LYS CB C 13 32.156 0.000 . . . . . . 123 LYS CB . 25897 1 725 . 1 1 123 123 LYS N N 15 118.139 0.000 . . . . . . 123 LYS N . 25897 1 726 . 1 1 124 124 ILE H H 1 7.286 0.000 . . . . . . 124 ILE HN . 25897 1 727 . 1 1 124 124 ILE HA H 1 4.190 0.000 . . . . . . 124 ILE HA . 25897 1 728 . 1 1 124 124 ILE C C 13 175.902 0.000 . . . . . . 124 ILE C . 25897 1 729 . 1 1 124 124 ILE CA C 13 62.285 0.000 . . . . . . 124 ILE CA . 25897 1 730 . 1 1 124 124 ILE CB C 13 38.869 0.000 . . . . . . 124 ILE CB . 25897 1 731 . 1 1 124 124 ILE N N 15 122.372 0.000 . . . . . . 124 ILE N . 25897 1 732 . 1 1 125 125 THR H H 1 8.588 0.000 . . . . . . 125 THR HN . 25897 1 733 . 1 1 125 125 THR HA H 1 4.622 0.000 . . . . . . 125 THR HA . 25897 1 734 . 1 1 125 125 THR C C 13 173.524 0.000 . . . . . . 125 THR C . 25897 1 735 . 1 1 125 125 THR CA C 13 60.447 0.000 . . . . . . 125 THR CA . 25897 1 736 . 1 1 125 125 THR CB C 13 68.919 0.000 . . . . . . 125 THR CB . 25897 1 737 . 1 1 125 125 THR N N 15 120.008 0.000 . . . . . . 125 THR N . 25897 1 738 . 1 1 126 126 PRO HA H 1 3.902 0.000 . . . . . . 126 PRO HA . 25897 1 739 . 1 1 126 126 PRO C C 13 178.798 0.000 . . . . . . 126 PRO C . 25897 1 740 . 1 1 126 126 PRO CA C 13 66.041 0.000 . . . . . . 126 PRO CA . 25897 1 741 . 1 1 126 126 PRO CB C 13 31.836 0.000 . . . . . . 126 PRO CB . 25897 1 742 . 1 1 127 127 GLU H H 1 8.708 0.000 . . . . . . 127 GLU HN . 25897 1 743 . 1 1 127 127 GLU HA H 1 4.105 0.000 . . . . . . 127 GLU HA . 25897 1 744 . 1 1 127 127 GLU C C 13 179.298 0.000 . . . . . . 127 GLU C . 25897 1 745 . 1 1 127 127 GLU CA C 13 60.127 0.000 . . . . . . 127 GLU CA . 25897 1 746 . 1 1 127 127 GLU CB C 13 28.799 0.000 . . . . . . 127 GLU CB . 25897 1 747 . 1 1 127 127 GLU N N 15 116.107 0.000 . . . . . . 127 GLU N . 25897 1 748 . 1 1 128 128 ASP H H 1 7.737 0.000 . . . . . . 128 ASP HN . 25897 1 749 . 1 1 128 128 ASP HA H 1 4.467 0.000 . . . . . . 128 ASP HA . 25897 1 750 . 1 1 128 128 ASP C C 13 179.120 0.000 . . . . . . 128 ASP C . 25897 1 751 . 1 1 128 128 ASP CA C 13 57.170 0.000 . . . . . . 128 ASP CA . 25897 1 752 . 1 1 128 128 ASP CB C 13 39.908 0.000 . . . . . . 128 ASP CB . 25897 1 753 . 1 1 128 128 ASP N N 15 121.776 0.000 . . . . . . 128 ASP N . 25897 1 754 . 1 1 129 129 LEU H H 1 8.499 0.000 . . . . . . 129 LEU HN . 25897 1 755 . 1 1 129 129 LEU C C 13 178.136 0.000 . . . . . . 129 LEU C . 25897 1 756 . 1 1 129 129 LEU CA C 13 58.529 0.000 . . . . . . 129 LEU CA . 25897 1 757 . 1 1 129 129 LEU CB C 13 41.906 0.000 . . . . . . 129 LEU CB . 25897 1 758 . 1 1 129 129 LEU N N 15 123.190 0.000 . . . . . . 129 LEU N . 25897 1 759 . 1 1 130 130 ASP H H 1 8.057 0.000 . . . . . . 130 ASP HN . 25897 1 760 . 1 1 130 130 ASP HA H 1 4.276 0.000 . . . . . . 130 ASP HA . 25897 1 761 . 1 1 130 130 ASP C C 13 179.424 0.000 . . . . . . 130 ASP C . 25897 1 762 . 1 1 130 130 ASP CA C 13 58.050 0.000 . . . . . . 130 ASP CA . 25897 1 763 . 1 1 130 130 ASP CB C 13 40.228 0.000 . . . . . . 130 ASP CB . 25897 1 764 . 1 1 130 130 ASP N N 15 118.104 0.000 . . . . . . 130 ASP N . 25897 1 765 . 1 1 131 131 MET H H 1 7.639 0.000 . . . . . . 131 MET HN . 25897 1 766 . 1 1 131 131 MET HA H 1 4.200 0.000 . . . . . . 131 MET HA . 25897 1 767 . 1 1 131 131 MET C C 13 178.548 0.000 . . . . . . 131 MET C . 25897 1 768 . 1 1 131 131 MET CA C 13 58.449 0.000 . . . . . . 131 MET CA . 25897 1 769 . 1 1 131 131 MET CB C 13 32.396 0.000 . . . . . . 131 MET CB . 25897 1 770 . 1 1 131 131 MET N N 15 118.618 0.000 . . . . . . 131 MET N . 25897 1 771 . 1 1 132 132 MET H H 1 8.370 0.000 . . . . . . 132 MET HN . 25897 1 772 . 1 1 132 132 MET HA H 1 4.154 0.000 . . . . . . 132 MET HA . 25897 1 773 . 1 1 132 132 MET C C 13 178.655 0.000 . . . . . . 132 MET C . 25897 1 774 . 1 1 132 132 MET CA C 13 59.248 0.000 . . . . . . 132 MET CA . 25897 1 775 . 1 1 132 132 MET CB C 13 32.955 0.000 . . . . . . 132 MET CB . 25897 1 776 . 1 1 132 132 MET N N 15 120.339 0.000 . . . . . . 132 MET N . 25897 1 777 . 1 1 133 133 ILE H H 1 8.283 0.000 . . . . . . 133 ILE HN . 25897 1 778 . 1 1 133 133 ILE HA H 1 3.532 0.000 . . . . . . 133 ILE HA . 25897 1 779 . 1 1 133 133 ILE C C 13 177.135 0.000 . . . . . . 133 ILE C . 25897 1 780 . 1 1 133 133 ILE CA C 13 64.523 0.000 . . . . . . 133 ILE CA . 25897 1 781 . 1 1 133 133 ILE CB C 13 36.392 0.000 . . . . . . 133 ILE CB . 25897 1 782 . 1 1 133 133 ILE N N 15 118.563 0.000 . . . . . . 133 ILE N . 25897 1 783 . 1 1 134 134 GLN H H 1 7.482 0.000 . . . . . . 134 GLN HN . 25897 1 784 . 1 1 134 134 GLN HA H 1 4.027 0.000 . . . . . . 134 GLN HA . 25897 1 785 . 1 1 134 134 GLN C C 13 177.779 0.000 . . . . . . 134 GLN C . 25897 1 786 . 1 1 134 134 GLN CA C 13 58.529 0.000 . . . . . . 134 GLN CA . 25897 1 787 . 1 1 134 134 GLN CB C 13 28.480 0.000 . . . . . . 134 GLN CB . 25897 1 788 . 1 1 134 134 GLN N N 15 117.228 0.000 . . . . . . 134 GLN N . 25897 1 789 . 1 1 135 135 GLU H H 1 7.650 0.000 . . . . . . 135 GLU HN . 25897 1 790 . 1 1 135 135 GLU HA H 1 4.011 0.000 . . . . . . 135 GLU HA . 25897 1 791 . 1 1 135 135 GLU C C 13 178.136 0.000 . . . . . . 135 GLU C . 25897 1 792 . 1 1 135 135 GLU CA C 13 58.449 0.000 . . . . . . 135 GLU CA . 25897 1 793 . 1 1 135 135 GLU CB C 13 29.758 0.000 . . . . . . 135 GLU CB . 25897 1 794 . 1 1 135 135 GLU N N 15 117.333 0.000 . . . . . . 135 GLU N . 25897 1 795 . 1 1 136 136 ILE H H 1 8.144 0.000 . . . . . . 136 ILE HN . 25897 1 796 . 1 1 136 136 ILE HA H 1 3.861 0.000 . . . . . . 136 ILE HA . 25897 1 797 . 1 1 136 136 ILE C C 13 177.582 0.000 . . . . . . 136 ILE C . 25897 1 798 . 1 1 136 136 ILE CA C 13 63.884 0.000 . . . . . . 136 ILE CA . 25897 1 799 . 1 1 136 136 ILE CB C 13 38.629 0.000 . . . . . . 136 ILE CB . 25897 1 800 . 1 1 136 136 ILE N N 15 117.777 0.000 . . . . . . 136 ILE N . 25897 1 801 . 1 1 137 137 ASP H H 1 8.188 0.000 . . . . . . 137 ASP HN . 25897 1 802 . 1 1 137 137 ASP HA H 1 5.011 0.000 . . . . . . 137 ASP HA . 25897 1 803 . 1 1 137 137 ASP C C 13 178.297 0.000 . . . . . . 137 ASP C . 25897 1 804 . 1 1 137 137 ASP CA C 13 52.375 0.000 . . . . . . 137 ASP CA . 25897 1 805 . 1 1 137 137 ASP CB C 13 38.629 0.000 . . . . . . 137 ASP CB . 25897 1 806 . 1 1 137 137 ASP N N 15 118.373 0.000 . . . . . . 137 ASP N . 25897 1 807 . 1 1 138 138 SER H H 1 8.152 0.000 . . . . . . 138 SER HN . 25897 1 808 . 1 1 138 138 SER C C 13 177.493 0.000 . . . . . . 138 SER C . 25897 1 809 . 1 1 138 138 SER CA C 13 60.847 0.000 . . . . . . 138 SER CA . 25897 1 810 . 1 1 138 138 SER CB C 13 63.324 0.000 . . . . . . 138 SER CB . 25897 1 811 . 1 1 138 138 SER N N 15 119.763 0.000 . . . . . . 138 SER N . 25897 1 812 . 1 1 139 139 ASP H H 1 8.035 0.000 . . . . . . 139 ASP HN . 25897 1 813 . 1 1 139 139 ASP HA H 1 4.742 0.000 . . . . . . 139 ASP HA . 25897 1 814 . 1 1 139 139 ASP C C 13 177.672 0.000 . . . . . . 139 ASP C . 25897 1 815 . 1 1 139 139 ASP CA C 13 52.695 0.000 . . . . . . 139 ASP CA . 25897 1 816 . 1 1 139 139 ASP CB C 13 39.988 0.000 . . . . . . 139 ASP CB . 25897 1 817 . 1 1 139 139 ASP N N 15 117.532 0.000 . . . . . . 139 ASP N . 25897 1 818 . 1 1 140 140 GLY H H 1 8.096 0.000 . . . . . . 140 GLY HN . 25897 1 819 . 1 1 140 140 GLY HA2 H 1 3.827 0.000 . . . . . . 140 GLY QA . 25897 1 820 . 1 1 140 140 GLY HA3 H 1 3.827 0.000 . . . . . . 140 GLY QA . 25897 1 821 . 1 1 140 140 GLY C C 13 175.348 0.000 . . . . . . 140 GLY C . 25897 1 822 . 1 1 140 140 GLY CA C 13 47.101 0.000 . . . . . . 140 GLY CA . 25897 1 823 . 1 1 140 140 GLY N N 15 109.597 0.000 . . . . . . 140 GLY N . 25897 1 824 . 1 1 141 141 SER H H 1 8.385 0.000 . . . . . . 141 SER HN . 25897 1 825 . 1 1 141 141 SER HA H 1 4.164 0.000 . . . . . . 141 SER HA . 25897 1 826 . 1 1 141 141 SER C C 13 176.331 0.000 . . . . . . 141 SER C . 25897 1 827 . 1 1 141 141 SER CA C 13 60.447 0.000 . . . . . . 141 SER CA . 25897 1 828 . 1 1 141 141 SER CB C 13 65.003 0.000 . . . . . . 141 SER CB . 25897 1 829 . 1 1 141 141 SER N N 15 115.675 0.000 . . . . . . 141 SER N . 25897 1 830 . 1 1 142 142 GLY H H 1 10.868 0.002 . . . . . . 142 GLY HN . 25897 1 831 . 1 1 142 142 GLY HA2 H 1 4.224 0.000 . . . . . . 142 GLY HA2 . 25897 1 832 . 1 1 142 142 GLY HA3 H 1 3.599 0.000 . . . . . . 142 GLY HA3 . 25897 1 833 . 1 1 142 142 GLY C C 13 173.578 0.000 . . . . . . 142 GLY C . 25897 1 834 . 1 1 142 142 GLY CA C 13 45.422 0.000 . . . . . . 142 GLY CA . 25897 1 835 . 1 1 142 142 GLY N N 15 116.736 0.000 . . . . . . 142 GLY N . 25897 1 836 . 1 1 143 143 THR H H 1 7.905 0.000 . . . . . . 143 THR HN . 25897 1 837 . 1 1 143 143 THR HA H 1 4.764 0.000 . . . . . . 143 THR HA . 25897 1 838 . 1 1 143 143 THR C C 13 172.362 0.000 . . . . . . 143 THR C . 25897 1 839 . 1 1 143 143 THR CA C 13 58.449 0.000 . . . . . . 143 THR CA . 25897 1 840 . 1 1 143 143 THR CB C 13 72.835 0.000 . . . . . . 143 THR CB . 25897 1 841 . 1 1 143 143 THR N N 15 110.164 0.000 . . . . . . 143 THR N . 25897 1 842 . 1 1 144 144 VAL H H 1 9.852 0.001 . . . . . . 144 VAL HN . 25897 1 843 . 1 1 144 144 VAL HA H 1 5.269 0.000 . . . . . . 144 VAL HA . 25897 1 844 . 1 1 144 144 VAL C C 13 174.740 0.000 . . . . . . 144 VAL C . 25897 1 845 . 1 1 144 144 VAL CA C 13 60.847 0.000 . . . . . . 144 VAL CA . 25897 1 846 . 1 1 144 144 VAL CB C 13 34.074 0.000 . . . . . . 144 VAL CB . 25897 1 847 . 1 1 144 144 VAL N N 15 126.835 0.000 . . . . . . 144 VAL N . 25897 1 848 . 1 1 145 145 ASP H H 1 8.286 0.000 . . . . . . 145 ASP HN . 25897 1 849 . 1 1 145 145 ASP HA H 1 5.462 0.000 . . . . . . 145 ASP HA . 25897 1 850 . 1 1 145 145 ASP C C 13 175.777 0.000 . . . . . . 145 ASP C . 25897 1 851 . 1 1 145 145 ASP CA C 13 51.976 0.000 . . . . . . 145 ASP CA . 25897 1 852 . 1 1 145 145 ASP CB C 13 42.306 0.000 . . . . . . 145 ASP CB . 25897 1 853 . 1 1 145 145 ASP N N 15 126.306 0.000 . . . . . . 145 ASP N . 25897 1 854 . 1 1 146 146 PHE H H 1 8.556 0.000 . . . . . . 146 PHE HN . 25897 1 855 . 1 1 146 146 PHE HA H 1 5.428 0.000 . . . . . . 146 PHE HA . 25897 1 856 . 1 1 146 146 PHE C C 13 176.436 0.000 . . . . . . 146 PHE C . 25897 1 857 . 1 1 146 146 PHE CA C 13 62.205 0.000 . . . . . . 146 PHE CA . 25897 1 858 . 1 1 146 146 PHE CB C 13 39.029 0.000 . . . . . . 146 PHE CB . 25897 1 859 . 1 1 146 146 PHE N N 15 119.378 0.000 . . . . . . 146 PHE N . 25897 1 860 . 1 1 147 147 ASP H H 1 8.003 0.000 . . . . . . 147 ASP HN . 25897 1 861 . 1 1 147 147 ASP HA H 1 4.757 0.000 . . . . . . 147 ASP HA . 25897 1 862 . 1 1 147 147 ASP C C 13 179.233 0.000 . . . . . . 147 ASP C . 25897 1 863 . 1 1 147 147 ASP CA C 13 57.970 0.000 . . . . . . 147 ASP CA . 25897 1 864 . 1 1 147 147 ASP CB C 13 40.068 0.000 . . . . . . 147 ASP CB . 25897 1 865 . 1 1 147 147 ASP N N 15 117.263 0.000 . . . . . . 147 ASP N . 25897 1 866 . 1 1 148 148 GLU H H 1 8.283 0.000 . . . . . . 148 GLU HN . 25897 1 867 . 1 1 148 148 GLU HA H 1 4.040 0.000 . . . . . . 148 GLU HA . 25897 1 868 . 1 1 148 148 GLU HB2 H 1 2.414 0.000 . . . . . . 148 GLU QB . 25897 1 869 . 1 1 148 148 GLU HB3 H 1 2.414 0.000 . . . . . . 148 GLU QB . 25897 1 870 . 1 1 148 148 GLU C C 13 179.227 0.000 . . . . . . 148 GLU C . 25897 1 871 . 1 1 148 148 GLU CA C 13 59.089 0.000 . . . . . . 148 GLU CA . 25897 1 872 . 1 1 148 148 GLU CB C 13 30.078 0.000 . . . . . . 148 GLU CB . 25897 1 873 . 1 1 148 148 GLU N N 15 121.632 0.000 . . . . . . 148 GLU N . 25897 1 874 . 1 1 149 149 PHE H H 1 8.126 0.000 . . . . . . 149 PHE HN . 25897 1 875 . 1 1 149 149 PHE HA H 1 4.022 0.000 . . . . . . 149 PHE HA . 25897 1 876 . 1 1 149 149 PHE C C 13 176.492 0.000 . . . . . . 149 PHE C . 25897 1 877 . 1 1 149 149 PHE CA C 13 60.527 0.000 . . . . . . 149 PHE CA . 25897 1 878 . 1 1 149 149 PHE CB C 13 40.068 0.000 . . . . . . 149 PHE CB . 25897 1 879 . 1 1 149 149 PHE N N 15 118.992 0.000 . . . . . . 149 PHE N . 25897 1 880 . 1 1 150 150 MET H H 1 8.436 0.000 . . . . . . 150 MET HN . 25897 1 881 . 1 1 150 150 MET HA H 1 3.652 0.000 . . . . . . 150 MET HA . 25897 1 882 . 1 1 150 150 MET C C 13 177.743 0.000 . . . . . . 150 MET C . 25897 1 883 . 1 1 150 150 MET CA C 13 57.810 0.000 . . . . . . 150 MET CA . 25897 1 884 . 1 1 150 150 MET CB C 13 31.357 0.000 . . . . . . 150 MET CB . 25897 1 885 . 1 1 150 150 MET N N 15 117.030 0.000 . . . . . . 150 MET N . 25897 1 886 . 1 1 151 151 GLU H H 1 7.669 0.001 . . . . . . 151 GLU HN . 25897 1 887 . 1 1 151 151 GLU HA H 1 3.936 0.000 . . . . . . 151 GLU HA . 25897 1 888 . 1 1 151 151 GLU C C 13 178.297 0.000 . . . . . . 151 GLU C . 25897 1 889 . 1 1 151 151 GLU CA C 13 58.929 0.000 . . . . . . 151 GLU CA . 25897 1 890 . 1 1 151 151 GLU CB C 13 29.119 0.000 . . . . . . 151 GLU CB . 25897 1 891 . 1 1 151 151 GLU N N 15 117.743 0.000 . . . . . . 151 GLU N . 25897 1 892 . 1 1 152 152 VAL H H 1 7.097 0.000 . . . . . . 152 VAL HN . 25897 1 893 . 1 1 152 152 VAL HA H 1 3.844 0.000 . . . . . . 152 VAL HA . 25897 1 894 . 1 1 152 152 VAL C C 13 176.903 0.000 . . . . . . 152 VAL C . 25897 1 895 . 1 1 152 152 VAL CA C 13 64.044 0.000 . . . . . . 152 VAL CA . 25897 1 896 . 1 1 152 152 VAL CB C 13 32.396 0.000 . . . . . . 152 VAL CB . 25897 1 897 . 1 1 152 152 VAL N N 15 115.967 0.000 . . . . . . 152 VAL N . 25897 1 898 . 1 1 153 153 MET H H 1 7.642 0.000 . . . . . . 153 MET HN . 25897 1 899 . 1 1 153 153 MET HA H 1 4.288 0.000 . . . . . . 153 MET HA . 25897 1 900 . 1 1 153 153 MET C C 13 177.350 0.000 . . . . . . 153 MET C . 25897 1 901 . 1 1 153 153 MET CA C 13 55.732 0.000 . . . . . . 153 MET CA . 25897 1 902 . 1 1 153 153 MET CB C 13 31.996 0.000 . . . . . . 153 MET CB . 25897 1 903 . 1 1 153 153 MET N N 15 117.789 0.000 . . . . . . 153 MET N . 25897 1 904 . 1 1 154 154 ILE H H 1 7.941 0.000 . . . . . . 154 ILE HN . 25897 1 905 . 1 1 154 154 ILE HA H 1 4.187 0.000 . . . . . . 154 ILE HA . 25897 1 906 . 1 1 154 154 ILE HD11 H 1 0.795 0.000 . . . . . . 154 ILE QD1 . 25897 1 907 . 1 1 154 154 ILE HD12 H 1 0.795 0.000 . . . . . . 154 ILE QD1 . 25897 1 908 . 1 1 154 154 ILE HD13 H 1 0.795 0.000 . . . . . . 154 ILE QD1 . 25897 1 909 . 1 1 154 154 ILE C C 13 176.537 0.000 . . . . . . 154 ILE C . 25897 1 910 . 1 1 154 154 ILE CA C 13 61.566 0.000 . . . . . . 154 ILE CA . 25897 1 911 . 1 1 154 154 ILE CB C 13 38.789 0.000 . . . . . . 154 ILE CB . 25897 1 912 . 1 1 154 154 ILE N N 15 117.263 0.000 . . . . . . 154 ILE N . 25897 1 913 . 1 1 155 155 GLY H H 1 7.876 0.000 . . . . . . 155 GLY HN . 25897 1 914 . 1 1 155 155 GLY HA2 H 1 3.974 0.000 . . . . . . 155 GLY QA . 25897 1 915 . 1 1 155 155 GLY HA3 H 1 3.974 0.000 . . . . . . 155 GLY QA . 25897 1 916 . 1 1 155 155 GLY C C 13 174.618 0.000 . . . . . . 155 GLY C . 25897 1 917 . 1 1 155 155 GLY CA C 13 45.662 0.000 . . . . . . 155 GLY CA . 25897 1 918 . 1 1 155 155 GLY N N 15 111.048 0.000 . . . . . . 155 GLY N . 25897 1 919 . 1 1 156 156 GLY H H 1 8.234 0.000 . . . . . . 156 GLY HN . 25897 1 920 . 1 1 156 156 GLY HA2 H 1 3.989 0.000 . . . . . . 156 GLY QA . 25897 1 921 . 1 1 156 156 GLY HA3 H 1 3.989 0.000 . . . . . . 156 GLY QA . 25897 1 922 . 1 1 156 156 GLY C C 13 173.876 0.000 . . . . . . 156 GLY C . 25897 1 923 . 1 1 156 156 GLY CA C 13 45.342 0.000 . . . . . . 156 GLY CA . 25897 1 924 . 1 1 156 156 GLY N N 15 109.062 0.000 . . . . . . 156 GLY N . 25897 1 925 . 1 1 157 157 ASP H H 1 8.345 0.000 . . . . . . 157 ASP HN . 25897 1 926 . 1 1 157 157 ASP HA H 1 4.645 0.000 . . . . . . 157 ASP HA . 25897 1 927 . 1 1 157 157 ASP C C 13 175.344 0.000 . . . . . . 157 ASP C . 25897 1 928 . 1 1 157 157 ASP CA C 13 54.373 0.000 . . . . . . 157 ASP CA . 25897 1 929 . 1 1 157 157 ASP CB C 13 41.267 0.000 . . . . . . 157 ASP CB . 25897 1 930 . 1 1 157 157 ASP N N 15 120.935 0.000 . . . . . . 157 ASP N . 25897 1 931 . 1 1 158 158 GLU H H 1 7.973 0.000 . . . . . . 158 GLU HN . 25897 1 932 . 1 1 158 158 GLU C C 13 181.212 0.000 . . . . . . 158 GLU C . 25897 1 933 . 1 1 158 158 GLU CA C 13 58.050 0.000 . . . . . . 158 GLU CA . 25897 1 934 . 1 1 158 158 GLU CB C 13 30.877 0.000 . . . . . . 158 GLU CB . 25897 1 935 . 1 1 158 158 GLU N N 15 125.927 0.000 . . . . . . 158 GLU N . 25897 1 stop_ save_