data_26618 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26618 _Entry.Title ; Resonance assignment of DVU2108 that is part of the Orange Protein complex in Desulfovibrio vulgaris Hildenborough ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-30 _Entry.Accession_date 2015-07-30 _Entry.Last_release_date 2015-09-29 _Entry.Original_release_date 2015-09-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 'Ant nio' Neca . . . . 26618 2 Rui Soares . . . . 26618 3 Marta Carepo . . . . 26618 4 Sofia Pauleta . . . . 26618 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26618 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'UCIBIO, REQUIMTE' . 26618 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26618 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 476 26618 '15N chemical shifts' 114 26618 '1H chemical shifts' 629 26618 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-11 2015-07-01 update BMRB 'update entry citation' 26618 1 . . 2015-09-29 2015-07-01 original author 'original release' 26618 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26618 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26373427 _Citation.Full_citation . _Citation.Title ; Resonance assignment of DVU2108 that is part of the Orange Protein complex in Desulfovibrio vulgaris Hildenborough ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 117 _Citation.Page_last 120 _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 'Ant nio' Neca . J. . . 26618 1 2 Rui Soares . . . . 26618 1 3 Marta Carepo . S.P. . . 26618 1 4 Sofia Pauleta . R. . . 26618 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Desulfovibrio 26618 1 'NMR assignment' 26618 1 'anaerobic bacteria' 26618 1 'cell division' 26618 1 'novel Mo-Cu cluster' 26618 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26618 _Assembly.ID 1 _Assembly.Name ORP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12456.035 _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 ORP 1 $Molecule_1 A . yes native no no . . . 26618 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Molecule_1 _Entity.Sf_category entity _Entity.Sf_framecode Molecule_1 _Entity.Entry_ID 26618 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Molecule_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRIVITAQGNTLDSPLDPRF GRARSFIVCDTETGATHAVD VSANMNLAQGAGIQAAQMAA DAGAEAVITGHVGPKAFTAL NRGHIAVYLCDLATPREALA AFIEGKLRPADTADREGHW ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12456.035 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 26618 1 2 2 ARG . 26618 1 3 3 ILE . 26618 1 4 4 VAL . 26618 1 5 5 ILE . 26618 1 6 6 THR . 26618 1 7 7 ALA . 26618 1 8 8 GLN . 26618 1 9 9 GLY . 26618 1 10 10 ASN . 26618 1 11 11 THR . 26618 1 12 12 LEU . 26618 1 13 13 ASP . 26618 1 14 14 SER . 26618 1 15 15 PRO . 26618 1 16 16 LEU . 26618 1 17 17 ASP . 26618 1 18 18 PRO . 26618 1 19 19 ARG . 26618 1 20 20 PHE . 26618 1 21 21 GLY . 26618 1 22 22 ARG . 26618 1 23 23 ALA . 26618 1 24 24 ARG . 26618 1 25 25 SER . 26618 1 26 26 PHE . 26618 1 27 27 ILE . 26618 1 28 28 VAL . 26618 1 29 29 CYS . 26618 1 30 30 ASP . 26618 1 31 31 THR . 26618 1 32 32 GLU . 26618 1 33 33 THR . 26618 1 34 34 GLY . 26618 1 35 35 ALA . 26618 1 36 36 THR . 26618 1 37 37 HIS . 26618 1 38 38 ALA . 26618 1 39 39 VAL . 26618 1 40 40 ASP . 26618 1 41 41 VAL . 26618 1 42 42 SER . 26618 1 43 43 ALA . 26618 1 44 44 ASN . 26618 1 45 45 MET . 26618 1 46 46 ASN . 26618 1 47 47 LEU . 26618 1 48 48 ALA . 26618 1 49 49 GLN . 26618 1 50 50 GLY . 26618 1 51 51 ALA . 26618 1 52 52 GLY . 26618 1 53 53 ILE . 26618 1 54 54 GLN . 26618 1 55 55 ALA . 26618 1 56 56 ALA . 26618 1 57 57 GLN . 26618 1 58 58 MET . 26618 1 59 59 ALA . 26618 1 60 60 ALA . 26618 1 61 61 ASP . 26618 1 62 62 ALA . 26618 1 63 63 GLY . 26618 1 64 64 ALA . 26618 1 65 65 GLU . 26618 1 66 66 ALA . 26618 1 67 67 VAL . 26618 1 68 68 ILE . 26618 1 69 69 THR . 26618 1 70 70 GLY . 26618 1 71 71 HIS . 26618 1 72 72 VAL . 26618 1 73 73 GLY . 26618 1 74 74 PRO . 26618 1 75 75 LYS . 26618 1 76 76 ALA . 26618 1 77 77 PHE . 26618 1 78 78 THR . 26618 1 79 79 ALA . 26618 1 80 80 LEU . 26618 1 81 81 ASN . 26618 1 82 82 ARG . 26618 1 83 83 GLY . 26618 1 84 84 HIS . 26618 1 85 85 ILE . 26618 1 86 86 ALA . 26618 1 87 87 VAL . 26618 1 88 88 TYR . 26618 1 89 89 LEU . 26618 1 90 90 CYS . 26618 1 91 91 ASP . 26618 1 92 92 LEU . 26618 1 93 93 ALA . 26618 1 94 94 THR . 26618 1 95 95 PRO . 26618 1 96 96 ARG . 26618 1 97 97 GLU . 26618 1 98 98 ALA . 26618 1 99 99 LEU . 26618 1 100 100 ALA . 26618 1 101 101 ALA . 26618 1 102 102 PHE . 26618 1 103 103 ILE . 26618 1 104 104 GLU . 26618 1 105 105 GLY . 26618 1 106 106 LYS . 26618 1 107 107 LEU . 26618 1 108 108 ARG . 26618 1 109 109 PRO . 26618 1 110 110 ALA . 26618 1 111 111 ASP . 26618 1 112 112 THR . 26618 1 113 113 ALA . 26618 1 114 114 ASP . 26618 1 115 115 ARG . 26618 1 116 116 GLU . 26618 1 117 117 GLY . 26618 1 118 118 HIS . 26618 1 119 119 TRP . 26618 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 26618 1 . ARG 2 2 26618 1 . ILE 3 3 26618 1 . VAL 4 4 26618 1 . ILE 5 5 26618 1 . THR 6 6 26618 1 . ALA 7 7 26618 1 . GLN 8 8 26618 1 . GLY 9 9 26618 1 . ASN 10 10 26618 1 . THR 11 11 26618 1 . LEU 12 12 26618 1 . ASP 13 13 26618 1 . SER 14 14 26618 1 . PRO 15 15 26618 1 . LEU 16 16 26618 1 . ASP 17 17 26618 1 . PRO 18 18 26618 1 . ARG 19 19 26618 1 . PHE 20 20 26618 1 . GLY 21 21 26618 1 . ARG 22 22 26618 1 . ALA 23 23 26618 1 . ARG 24 24 26618 1 . SER 25 25 26618 1 . PHE 26 26 26618 1 . ILE 27 27 26618 1 . VAL 28 28 26618 1 . CYS 29 29 26618 1 . ASP 30 30 26618 1 . THR 31 31 26618 1 . GLU 32 32 26618 1 . THR 33 33 26618 1 . GLY 34 34 26618 1 . ALA 35 35 26618 1 . THR 36 36 26618 1 . HIS 37 37 26618 1 . ALA 38 38 26618 1 . VAL 39 39 26618 1 . ASP 40 40 26618 1 . VAL 41 41 26618 1 . SER 42 42 26618 1 . ALA 43 43 26618 1 . ASN 44 44 26618 1 . MET 45 45 26618 1 . ASN 46 46 26618 1 . LEU 47 47 26618 1 . ALA 48 48 26618 1 . GLN 49 49 26618 1 . GLY 50 50 26618 1 . ALA 51 51 26618 1 . GLY 52 52 26618 1 . ILE 53 53 26618 1 . GLN 54 54 26618 1 . ALA 55 55 26618 1 . ALA 56 56 26618 1 . GLN 57 57 26618 1 . MET 58 58 26618 1 . ALA 59 59 26618 1 . ALA 60 60 26618 1 . ASP 61 61 26618 1 . ALA 62 62 26618 1 . GLY 63 63 26618 1 . ALA 64 64 26618 1 . GLU 65 65 26618 1 . ALA 66 66 26618 1 . VAL 67 67 26618 1 . ILE 68 68 26618 1 . THR 69 69 26618 1 . GLY 70 70 26618 1 . HIS 71 71 26618 1 . VAL 72 72 26618 1 . GLY 73 73 26618 1 . PRO 74 74 26618 1 . LYS 75 75 26618 1 . ALA 76 76 26618 1 . PHE 77 77 26618 1 . THR 78 78 26618 1 . ALA 79 79 26618 1 . LEU 80 80 26618 1 . ASN 81 81 26618 1 . ARG 82 82 26618 1 . GLY 83 83 26618 1 . HIS 84 84 26618 1 . ILE 85 85 26618 1 . ALA 86 86 26618 1 . VAL 87 87 26618 1 . TYR 88 88 26618 1 . LEU 89 89 26618 1 . CYS 90 90 26618 1 . ASP 91 91 26618 1 . LEU 92 92 26618 1 . ALA 93 93 26618 1 . THR 94 94 26618 1 . PRO 95 95 26618 1 . ARG 96 96 26618 1 . GLU 97 97 26618 1 . ALA 98 98 26618 1 . LEU 99 99 26618 1 . ALA 100 100 26618 1 . ALA 101 101 26618 1 . PHE 102 102 26618 1 . ILE 103 103 26618 1 . GLU 104 104 26618 1 . GLY 105 105 26618 1 . LYS 106 106 26618 1 . LEU 107 107 26618 1 . ARG 108 108 26618 1 . PRO 109 109 26618 1 . ALA 110 110 26618 1 . ASP 111 111 26618 1 . THR 112 112 26618 1 . ALA 113 113 26618 1 . ASP 114 114 26618 1 . ARG 115 115 26618 1 . GLU 116 116 26618 1 . GLY 117 117 26618 1 . HIS 118 118 26618 1 . TRP 119 119 26618 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 26618 _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 $Molecule_1 . 882 organism . 'Desulfovibrio vulgaris str. Hildenborough' 'Desulfovibrio vulgaris str. Hildenborough' . . Bacteria . . . . . . . . . . . . . . DVU2108 . 26618 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 26618 _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 $Molecule_1 . 'recombinant technology' 'Desulfovibrio vulgaris Hildenborough' 'Desulfovibrio vulgaris Hildenborough' . . . . BL21(DE3) . . . . . pET21c . . . 26618 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15NapoDVU2108 _Sample.Sf_category sample _Sample.Sf_framecode 15NapoDVU2108 _Sample.Entry_ID 26618 _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 Molecule_1 '[U-100% 15N]' . . 1 $Molecule_1 . . 1.000 . . mM . . . . 26618 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20.000 . . mM . . . . 26618 1 3 DTT 'natural abundance' . . . . . . 1.000 . . mM . . . . 26618 1 4 NaCl 'natural abundance' . . . . . . 100.000 . . mM . . . . 26618 1 5 'sodium azide' 'natural abundance' . . . . . . 0.001 . . mM . . . . 26618 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26618 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26618 1 stop_ save_ save_15N13CapoDVU2108 _Sample.Sf_category sample _Sample.Sf_framecode 15N13CapoDVU2108 _Sample.Entry_ID 26618 _Sample.ID 2 _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 Molecule_1 '[U-100% 13C; U-100% 15N]' . . 1 $Molecule_1 . . 1.0 . . mM . . . . 26618 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20.0 . . mM . . . . 26618 2 3 NaCl 'natural abundance' . . . . . . 100.0 . . mM . . . . 26618 2 4 DTT 'natural abundance' . . . . . . 1.0 . . mM . . . . 26618 2 5 'Sodium azide' 'natural abundance' . . . . . . 1.0 . . mM . . . . 26618 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26618 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26618 2 stop_ save_ ####################### # Sample conditions # ####################### save_Temperature _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Temperature _Sample_condition_list.Entry_ID 26618 _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 pH 7.0 . pH 26618 1 temperature 298 . K 26618 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26618 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller, rkeller@nmr.ch' . . 26618 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 26618 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26618 _Software.ID 2 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26618 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Deposit 26618 2 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 26618 _Software.ID 3 _Software.Name TopSpin _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 26618 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 26618 3 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 26618 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26618 _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 . . . 26618 1 stop_ save_ save_CryoTCI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CryoTCI _NMR_spectrometer_probe.Entry_ID 26618 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model TCI _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26618 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 26618 _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 15NHSQC no . . . . . . . . . . 1 $15NapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 2 HNCO no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 3 HNCACO no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 4 HNHA no . . . . . . . . . . 1 $15NapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 5 CBCACONH no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 6 CBCANH no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 7 HBHA(CBCACO)NH no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 8 (H)C(CCO)NH no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 9 H(CCCO)NH no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 10 (H)CCH-TOCSY no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 11 13CHSQC no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 12 13CNOESY no . . . . . . . . . . 2 $15N13CapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 1 13 15NHSQC no . . . . . . . . . . 1 $15NapoDVU2108 isotropic . . 1 $Temperature . . . 1 $spectrometer_1 1 $CryoTCI . . . . . . . . . . . . . . 26618 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 26618 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26618 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26618 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26618 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26618 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Temperature _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 'Origin xeasy file E:/Projects/ORP_DvH/projecto-DVU2108/Deposit/DvHORPFinal.prot' _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 15NHSQC 1 $15NapoDVU2108 isotropic 26618 1 2 HNCO 2 $15N13CapoDVU2108 isotropic 26618 1 3 HNCACO 2 $15N13CapoDVU2108 isotropic 26618 1 4 HNHA 1 $15NapoDVU2108 isotropic 26618 1 5 CBCACONH 2 $15N13CapoDVU2108 isotropic 26618 1 6 CBCANH 2 $15N13CapoDVU2108 isotropic 26618 1 7 HBHA(CBCACO)NH 2 $15N13CapoDVU2108 isotropic 26618 1 8 (H)C(CCO)NH 2 $15N13CapoDVU2108 isotropic 26618 1 9 H(CCCO)NH 2 $15N13CapoDVU2108 isotropic 26618 1 10 (H)CCH-TOCSY 2 $15N13CapoDVU2108 isotropic 26618 1 11 13CHSQC 2 $15N13CapoDVU2108 isotropic 26618 1 12 13CNOESY 2 $15N13CapoDVU2108 isotropic 26618 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 $CARA . . 26618 1 2 $CcpNmr_Analysis . . 26618 1 3 $TopSpin . . 26618 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 HA H 1 4.207 . . 1 . 955 . . 1 MET HA . 26618 1 2 . 1 1 1 1 MET HB2 H 1 2.078 . . 2 . 960 . . 1 MET HB2 . 26618 1 3 . 1 1 1 1 MET HB3 H 1 1.913 . . 2 . 959 . . 1 MET HB3 . 26618 1 4 . 1 1 1 1 MET HE1 H 1 1.923 . . 1 . 958 . . 1 MET HE1 . 26618 1 5 . 1 1 1 1 MET HE2 H 1 1.923 . . 1 . 958 . . 1 MET HE2 . 26618 1 6 . 1 1 1 1 MET HE3 H 1 1.923 . . 1 . 958 . . 1 MET HE3 . 26618 1 7 . 1 1 1 1 MET C C 13 171.890 . . 1 . 951 . . 1 MET C . 26618 1 8 . 1 1 1 1 MET CA C 13 54.817 . . 1 . 952 . . 1 MET CA . 26618 1 9 . 1 1 1 1 MET CB C 13 34.904 . . 1 . 953 . . 1 MET CB . 26618 1 10 . 1 1 1 1 MET CG C 13 30.722 . . 1 . 954 . . 1 MET CG . 26618 1 11 . 1 1 1 1 MET CE C 13 17.022 . . 1 . 957 . . 1 MET CE . 26618 1 12 . 1 1 2 2 ARG H H 1 9.305 . . 1 . 3 . . 2 ARG H . 26618 1 13 . 1 1 2 2 ARG HA H 1 5.276 . . 1 . 499 . . 2 ARG HA . 26618 1 14 . 1 1 2 2 ARG HB2 H 1 1.846 . . 2 . 710 . . 2 ARG HB2 . 26618 1 15 . 1 1 2 2 ARG HB3 H 1 1.689 . . 2 . 711 . . 2 ARG HB3 . 26618 1 16 . 1 1 2 2 ARG HE H 1 7.616 . . 1 . 1088 . . 2 ARG HE . 26618 1 17 . 1 1 2 2 ARG C C 13 175.081 . . 1 . 201 . . 2 ARG C . 26618 1 18 . 1 1 2 2 ARG CA C 13 55.517 . . 1 . 306 . . 2 ARG CA . 26618 1 19 . 1 1 2 2 ARG CB C 13 30.532 . . 1 . 307 . . 2 ARG CB . 26618 1 20 . 1 1 2 2 ARG CG C 13 27.466 . . 1 . 708 . . 2 ARG CG . 26618 1 21 . 1 1 2 2 ARG CD C 13 42.985 . . 1 . 707 . . 2 ARG CD . 26618 1 22 . 1 1 2 2 ARG N N 15 126.429 . . 1 . 4 . . 2 ARG N . 26618 1 23 . 1 1 2 2 ARG NE N 15 83.942 . . 1 . 1089 . . 2 ARG NE . 26618 1 24 . 1 1 3 3 ILE H H 1 9.041 . . 1 . 25 . . 3 ILE H . 26618 1 25 . 1 1 3 3 ILE HA H 1 4.909 . . 1 . 510 . . 3 ILE HA . 26618 1 26 . 1 1 3 3 ILE HB H 1 1.214 . . 1 . 606 . . 3 ILE HB . 26618 1 27 . 1 1 3 3 ILE HG12 H 1 0.917 . . 2 . 608 . . 3 ILE HG12 . 26618 1 28 . 1 1 3 3 ILE HG13 H 1 0.572 . . 2 . 609 . . 3 ILE HG13 . 26618 1 29 . 1 1 3 3 ILE HG21 H 1 0.276 . . 1 . 607 . . 3 ILE HG21 . 26618 1 30 . 1 1 3 3 ILE HG22 H 1 0.276 . . 1 . 607 . . 3 ILE HG22 . 26618 1 31 . 1 1 3 3 ILE HG23 H 1 0.276 . . 1 . 607 . . 3 ILE HG23 . 26618 1 32 . 1 1 3 3 ILE HD11 H 1 -0.040 . . 1 . 605 . . 3 ILE HD11 . 26618 1 33 . 1 1 3 3 ILE HD12 H 1 -0.040 . . 1 . 605 . . 3 ILE HD12 . 26618 1 34 . 1 1 3 3 ILE HD13 H 1 -0.040 . . 1 . 605 . . 3 ILE HD13 . 26618 1 35 . 1 1 3 3 ILE C C 13 174.304 . . 1 . 211 . . 3 ILE C . 26618 1 36 . 1 1 3 3 ILE CA C 13 58.896 . . 1 . 328 . . 3 ILE CA . 26618 1 37 . 1 1 3 3 ILE CB C 13 41.516 . . 1 . 329 . . 3 ILE CB . 26618 1 38 . 1 1 3 3 ILE CG1 C 13 26.428 . . 1 . 602 . . 3 ILE CG1 . 26618 1 39 . 1 1 3 3 ILE CG2 C 13 17.768 . . 1 . 603 . . 3 ILE CG2 . 26618 1 40 . 1 1 3 3 ILE CD1 C 13 13.438 . . 1 . 604 . . 3 ILE CD1 . 26618 1 41 . 1 1 3 3 ILE N N 15 123.334 . . 1 . 26 . . 3 ILE N . 26618 1 42 . 1 1 4 4 VAL H H 1 8.167 . . 1 . 101 . . 4 VAL H . 26618 1 43 . 1 1 4 4 VAL HA H 1 4.940 . . 1 . 549 . . 4 VAL HA . 26618 1 44 . 1 1 4 4 VAL HB H 1 1.411 . . 1 . 614 . . 4 VAL HB . 26618 1 45 . 1 1 4 4 VAL HG11 H 1 0.509 . . 2 . 613 . . 4 VAL HG11 . 26618 1 46 . 1 1 4 4 VAL HG12 H 1 0.509 . . 2 . 613 . . 4 VAL HG12 . 26618 1 47 . 1 1 4 4 VAL HG13 H 1 0.509 . . 2 . 613 . . 4 VAL HG13 . 26618 1 48 . 1 1 4 4 VAL HG21 H 1 0.127 . . 2 . 612 . . 4 VAL HG21 . 26618 1 49 . 1 1 4 4 VAL HG22 H 1 0.127 . . 2 . 612 . . 4 VAL HG22 . 26618 1 50 . 1 1 4 4 VAL HG23 H 1 0.127 . . 2 . 612 . . 4 VAL HG23 . 26618 1 51 . 1 1 4 4 VAL C C 13 173.808 . . 1 . 251 . . 4 VAL C . 26618 1 52 . 1 1 4 4 VAL CA C 13 59.666 . . 1 . 404 . . 4 VAL CA . 26618 1 53 . 1 1 4 4 VAL CB C 13 34.352 . . 1 . 405 . . 4 VAL CB . 26618 1 54 . 1 1 4 4 VAL CG1 C 13 21.986 . . 2 . 611 . . 4 VAL CG1 . 26618 1 55 . 1 1 4 4 VAL CG2 C 13 20.692 . . 2 . 610 . . 4 VAL CG2 . 26618 1 56 . 1 1 4 4 VAL N N 15 120.224 . . 1 . 102 . . 4 VAL N . 26618 1 57 . 1 1 5 5 ILE H H 1 8.853 . . 1 . 23 . . 5 ILE H . 26618 1 58 . 1 1 5 5 ILE HA H 1 5.166 . . 1 . 509 . . 5 ILE HA . 26618 1 59 . 1 1 5 5 ILE HB H 1 1.393 . . 1 . 618 . . 5 ILE HB . 26618 1 60 . 1 1 5 5 ILE HG21 H 1 0.778 . . 1 . 620 . . 5 ILE HG21 . 26618 1 61 . 1 1 5 5 ILE HG22 H 1 0.778 . . 1 . 620 . . 5 ILE HG22 . 26618 1 62 . 1 1 5 5 ILE HG23 H 1 0.778 . . 1 . 620 . . 5 ILE HG23 . 26618 1 63 . 1 1 5 5 ILE HD11 H 1 0.664 . . 1 . 619 . . 5 ILE HD11 . 26618 1 64 . 1 1 5 5 ILE HD12 H 1 0.664 . . 1 . 619 . . 5 ILE HD12 . 26618 1 65 . 1 1 5 5 ILE HD13 H 1 0.664 . . 1 . 619 . . 5 ILE HD13 . 26618 1 66 . 1 1 5 5 ILE C C 13 177.049 . . 1 . 210 . . 5 ILE C . 26618 1 67 . 1 1 5 5 ILE CA C 13 59.456 . . 1 . 327 . . 5 ILE CA . 26618 1 68 . 1 1 5 5 ILE CB C 13 41.512 . . 1 . 326 . . 5 ILE CB . 26618 1 69 . 1 1 5 5 ILE CG1 C 13 27.429 . . 1 . 615 . . 5 ILE CG1 . 26618 1 70 . 1 1 5 5 ILE CG2 C 13 17.358 . . 1 . 616 . . 5 ILE CG2 . 26618 1 71 . 1 1 5 5 ILE CD1 C 13 14.984 . . 1 . 617 . . 5 ILE CD1 . 26618 1 72 . 1 1 5 5 ILE N N 15 124.687 . . 1 . 24 . . 5 ILE N . 26618 1 73 . 1 1 6 6 THR H H 1 8.095 . . 1 . 143 . . 6 THR H . 26618 1 74 . 1 1 6 6 THR HA H 1 4.746 . . 1 . 573 . . 6 THR HA . 26618 1 75 . 1 1 6 6 THR HB H 1 4.432 . . 1 . 733 . . 6 THR HB . 26618 1 76 . 1 1 6 6 THR HG21 H 1 1.454 . . 1 . 732 . . 6 THR HG21 . 26618 1 77 . 1 1 6 6 THR HG22 H 1 1.454 . . 1 . 732 . . 6 THR HG22 . 26618 1 78 . 1 1 6 6 THR HG23 H 1 1.454 . . 1 . 732 . . 6 THR HG23 . 26618 1 79 . 1 1 6 6 THR C C 13 174.602 . . 1 . 269 . . 6 THR C . 26618 1 80 . 1 1 6 6 THR CA C 13 61.798 . . 1 . 445 . . 6 THR CA . 26618 1 81 . 1 1 6 6 THR CB C 13 68.498 . . 1 . 444 . . 6 THR CB . 26618 1 82 . 1 1 6 6 THR CG2 C 13 23.713 . . 1 . 731 . . 6 THR CG2 . 26618 1 83 . 1 1 6 6 THR N N 15 116.332 . . 1 . 144 . . 6 THR N . 26618 1 84 . 1 1 7 7 ALA H H 1 8.921 . . 1 . 191 . . 7 ALA H . 26618 1 85 . 1 1 7 7 ALA HA H 1 5.067 . . 1 . 600 . . 7 ALA HA . 26618 1 86 . 1 1 7 7 ALA HB1 H 1 1.296 . . 1 . 849 . . 7 ALA HB1 . 26618 1 87 . 1 1 7 7 ALA HB2 H 1 1.296 . . 1 . 849 . . 7 ALA HB2 . 26618 1 88 . 1 1 7 7 ALA HB3 H 1 1.296 . . 1 . 849 . . 7 ALA HB3 . 26618 1 89 . 1 1 7 7 ALA C C 13 175.561 . . 1 . 293 . . 7 ALA C . 26618 1 90 . 1 1 7 7 ALA CA C 13 51.531 . . 1 . 486 . . 7 ALA CA . 26618 1 91 . 1 1 7 7 ALA CB C 13 24.416 . . 1 . 485 . . 7 ALA CB . 26618 1 92 . 1 1 7 7 ALA N N 15 125.795 . . 1 . 192 . . 7 ALA N . 26618 1 93 . 1 1 8 8 GLN H H 1 8.839 . . 1 . 121 . . 8 GLN H . 26618 1 94 . 1 1 8 8 GLN HA H 1 4.620 . . 1 . 562 . . 8 GLN HA . 26618 1 95 . 1 1 8 8 GLN HB2 H 1 2.304 . . 2 . 854 . . 8 GLN HB2 . 26618 1 96 . 1 1 8 8 GLN HB3 H 1 1.691 . . 2 . 855 . . 8 GLN HB3 . 26618 1 97 . 1 1 8 8 GLN HG2 H 1 2.331 . . 2 . 1111 . . 8 GLN HG2 . 26618 1 98 . 1 1 8 8 GLN HG3 H 1 2.088 . . 2 . 1112 . . 8 GLN HG3 . 26618 1 99 . 1 1 8 8 GLN HE21 H 1 7.270 . . 1 . 917 . . 8 GLN HE21 . 26618 1 100 . 1 1 8 8 GLN HE22 H 1 6.973 . . 1 . 918 . . 8 GLN HE22 . 26618 1 101 . 1 1 8 8 GLN C C 13 175.230 . . 1 . 259 . . 8 GLN C . 26618 1 102 . 1 1 8 8 GLN CA C 13 55.314 . . 1 . 424 . . 8 GLN CA . 26618 1 103 . 1 1 8 8 GLN CB C 13 28.898 . . 1 . 425 . . 8 GLN CB . 26618 1 104 . 1 1 8 8 GLN CG C 13 34.702 . . 1 . 853 . . 8 GLN CG . 26618 1 105 . 1 1 8 8 GLN CD C 13 179.331 . . 1 . 909 . . 8 GLN CD . 26618 1 106 . 1 1 8 8 GLN N N 15 118.423 . . 1 . 122 . . 8 GLN N . 26618 1 107 . 1 1 8 8 GLN NE2 N 15 111.116 . . 1 . 921 . . 8 GLN NE2 . 26618 1 108 . 1 1 9 9 GLY H H 1 7.110 . . 1 . 169 . . 9 GLY H . 26618 1 109 . 1 1 9 9 GLY HA2 H 1 4.081 . . 2 . 852 . . 9 GLY HA2 . 26618 1 110 . 1 1 9 9 GLY HA3 H 1 4.055 . . 2 . 592 . . 9 GLY HA3 . 26618 1 111 . 1 1 9 9 GLY C C 13 171.956 . . 1 . 282 . . 9 GLY C . 26618 1 112 . 1 1 9 9 GLY CA C 13 44.438 . . 1 . 464 . . 9 GLY CA . 26618 1 113 . 1 1 9 9 GLY N N 15 105.700 . . 1 . 170 . . 9 GLY N . 26618 1 114 . 1 1 10 10 ASN HA H 1 4.521 . . 1 . 964 . . 10 ASN HA . 26618 1 115 . 1 1 10 10 ASN HB2 H 1 2.688 . . 2 . 1113 . . 10 ASN HB2 . 26618 1 116 . 1 1 10 10 ASN HB3 H 1 2.374 . . 2 . 1114 . . 10 ASN HB3 . 26618 1 117 . 1 1 10 10 ASN HD21 H 1 7.513 . . 1 . 1011 . . 10 ASN HD21 . 26618 1 118 . 1 1 10 10 ASN HD22 H 1 6.849 . . 1 . 1012 . . 10 ASN HD22 . 26618 1 119 . 1 1 10 10 ASN C C 13 174.734 . . 1 . 961 . . 10 ASN C . 26618 1 120 . 1 1 10 10 ASN CA C 13 52.615 . . 1 . 962 . . 10 ASN CA . 26618 1 121 . 1 1 10 10 ASN CB C 13 38.560 . . 1 . 963 . . 10 ASN CB . 26618 1 122 . 1 1 10 10 ASN CG C 13 176.850 . . 1 . 1013 . . 10 ASN CG . 26618 1 123 . 1 1 10 10 ASN ND2 N 15 112.529 . . 1 . 1010 . . 10 ASN ND2 . 26618 1 124 . 1 1 11 11 THR H H 1 7.522 . . 1 . 163 . . 11 THR H . 26618 1 125 . 1 1 11 11 THR HA H 1 4.800 . . 1 . 588 . . 11 THR HA . 26618 1 126 . 1 1 11 11 THR HB H 1 4.485 . . 1 . 847 . . 11 THR HB . 26618 1 127 . 1 1 11 11 THR HG21 H 1 1.041 . . 1 . 848 . . 11 THR HG21 . 26618 1 128 . 1 1 11 11 THR HG22 H 1 1.041 . . 1 . 848 . . 11 THR HG22 . 26618 1 129 . 1 1 11 11 THR HG23 H 1 1.041 . . 1 . 848 . . 11 THR HG23 . 26618 1 130 . 1 1 11 11 THR C C 13 174.999 . . 1 . 279 . . 11 THR C . 26618 1 131 . 1 1 11 11 THR CA C 13 59.076 . . 1 . 459 . . 11 THR CA . 26618 1 132 . 1 1 11 11 THR CB C 13 73.018 . . 1 . 460 . . 11 THR CB . 26618 1 133 . 1 1 11 11 THR CG2 C 13 21.231 . . 1 . 846 . . 11 THR CG2 . 26618 1 134 . 1 1 11 11 THR N N 15 106.785 . . 1 . 164 . . 11 THR N . 26618 1 135 . 1 1 12 12 LEU HA H 1 3.800 . . 1 . 968 . . 12 LEU HA . 26618 1 136 . 1 1 12 12 LEU HB2 H 1 1.606 . . 2 . 970 . . 12 LEU HB2 . 26618 1 137 . 1 1 12 12 LEU HB3 H 1 1.164 . . 2 . 969 . . 12 LEU HB3 . 26618 1 138 . 1 1 12 12 LEU HG H 1 1.602 . . 1 . 1115 . . 12 LEU HG . 26618 1 139 . 1 1 12 12 LEU HD11 H 1 0.762 . . 2 . 971 . . 12 LEU HD11 . 26618 1 140 . 1 1 12 12 LEU HD12 H 1 0.762 . . 2 . 971 . . 12 LEU HD12 . 26618 1 141 . 1 1 12 12 LEU HD13 H 1 0.762 . . 2 . 971 . . 12 LEU HD13 . 26618 1 142 . 1 1 12 12 LEU HD21 H 1 0.633 . . 2 . 1001 . . 12 LEU HD21 . 26618 1 143 . 1 1 12 12 LEU HD22 H 1 0.633 . . 2 . 1001 . . 12 LEU HD22 . 26618 1 144 . 1 1 12 12 LEU HD23 H 1 0.633 . . 2 . 1001 . . 12 LEU HD23 . 26618 1 145 . 1 1 12 12 LEU C C 13 175.825 . . 1 . 965 . . 12 LEU C . 26618 1 146 . 1 1 12 12 LEU CA C 13 56.608 . . 1 . 966 . . 12 LEU CA . 26618 1 147 . 1 1 12 12 LEU CB C 13 42.854 . . 1 . 967 . . 12 LEU CB . 26618 1 148 . 1 1 12 12 LEU CG C 13 26.853 . . 1 . 998 . . 12 LEU CG . 26618 1 149 . 1 1 12 12 LEU CD1 C 13 25.554 . . 2 . 999 . . 12 LEU CD1 . 26618 1 150 . 1 1 12 12 LEU CD2 C 13 23.930 . . 2 . 1000 . . 12 LEU CD2 . 26618 1 151 . 1 1 13 13 ASP H H 1 7.367 . . 1 . 173 . . 13 ASP H . 26618 1 152 . 1 1 13 13 ASP HA H 1 4.857 . . 1 . 594 . . 13 ASP HA . 26618 1 153 . 1 1 13 13 ASP HB2 H 1 2.908 . . 2 . 818 . . 13 ASP HB2 . 26618 1 154 . 1 1 13 13 ASP HB3 H 1 2.192 . . 2 . 819 . . 13 ASP HB3 . 26618 1 155 . 1 1 13 13 ASP C C 13 175.296 . . 1 . 284 . . 13 ASP C . 26618 1 156 . 1 1 13 13 ASP CA C 13 54.091 . . 1 . 468 . . 13 ASP CA . 26618 1 157 . 1 1 13 13 ASP CB C 13 41.897 . . 1 . 467 . . 13 ASP CB . 26618 1 158 . 1 1 13 13 ASP N N 15 112.836 . . 1 . 174 . . 13 ASP N . 26618 1 159 . 1 1 14 14 SER H H 1 7.222 . . 1 . 71 . . 14 SER H . 26618 1 160 . 1 1 14 14 SER HA H 1 4.455 . . 1 . 534 . . 14 SER HA . 26618 1 161 . 1 1 14 14 SER HB2 H 1 3.760 . . 2 . 820 . . 14 SER HB2 . 26618 1 162 . 1 1 14 14 SER HB3 H 1 3.635 . . 2 . 1092 . . 14 SER HB3 . 26618 1 163 . 1 1 14 14 SER C C 13 168.252 . . 1 . 233 . . 14 SER C . 26618 1 164 . 1 1 14 14 SER CA C 13 58.478 . . 1 . 375 . . 14 SER CA . 26618 1 165 . 1 1 14 14 SER CB C 13 62.286 . . 1 . 374 . . 14 SER CB . 26618 1 166 . 1 1 14 14 SER N N 15 119.511 . . 1 . 72 . . 14 SER N . 26618 1 167 . 1 1 15 15 PRO HA H 1 4.514 . . 1 . 870 . . 15 PRO HA . 26618 1 168 . 1 1 15 15 PRO HB2 H 1 2.307 . . 2 . 872 . . 15 PRO HB2 . 26618 1 169 . 1 1 15 15 PRO HB3 H 1 1.539 . . 2 . 871 . . 15 PRO HB3 . 26618 1 170 . 1 1 15 15 PRO HG2 H 1 2.030 . . 2 . 880 . . 15 PRO HG2 . 26618 1 171 . 1 1 15 15 PRO HG3 H 1 1.928 . . 2 . 879 . . 15 PRO HG3 . 26618 1 172 . 1 1 15 15 PRO HD2 H 1 3.837 . . 2 . 873 . . 15 PRO HD2 . 26618 1 173 . 1 1 15 15 PRO HD3 H 1 3.357 . . 2 . 881 . . 15 PRO HD3 . 26618 1 174 . 1 1 15 15 PRO C C 13 176.520 . . 1 . 874 . . 15 PRO C . 26618 1 175 . 1 1 15 15 PRO CA C 13 63.142 . . 1 . 875 . . 15 PRO CA . 26618 1 176 . 1 1 15 15 PRO CB C 13 31.651 . . 1 . 876 . . 15 PRO CB . 26618 1 177 . 1 1 15 15 PRO CG C 13 28.152 . . 1 . 877 . . 15 PRO CG . 26618 1 178 . 1 1 15 15 PRO CD C 13 49.731 . . 1 . 878 . . 15 PRO CD . 26618 1 179 . 1 1 16 16 LEU H H 1 8.298 . . 1 . 9 . . 16 LEU H . 26618 1 180 . 1 1 16 16 LEU HA H 1 4.060 . . 1 . 502 . . 16 LEU HA . 26618 1 181 . 1 1 16 16 LEU HB2 H 1 1.523 . . 2 . 860 . . 16 LEU HB2 . 26618 1 182 . 1 1 16 16 LEU HB3 H 1 0.755 . . 2 . 861 . . 16 LEU HB3 . 26618 1 183 . 1 1 16 16 LEU HG H 1 0.498 . . 1 . 864 . . 16 LEU HG . 26618 1 184 . 1 1 16 16 LEU C C 13 176.520 . . 1 . 208 . . 16 LEU C . 26618 1 185 . 1 1 16 16 LEU CA C 13 56.485 . . 1 . 312 . . 16 LEU CA . 26618 1 186 . 1 1 16 16 LEU CB C 13 42.273 . . 1 . 313 . . 16 LEU CB . 26618 1 187 . 1 1 16 16 LEU CG C 13 24.471 . . 1 . 862 . . 16 LEU CG . 26618 1 188 . 1 1 16 16 LEU CD1 C 13 26.869 . . 1 . 865 . . 16 LEU CD1 . 26618 1 189 . 1 1 16 16 LEU CD2 C 13 26.869 . . 1 . 863 . . 16 LEU CD2 . 26618 1 190 . 1 1 16 16 LEU N N 15 127.188 . . 1 . 10 . . 16 LEU N . 26618 1 191 . 1 1 17 17 ASP H H 1 8.057 . . 1 . 11 . . 17 ASP H . 26618 1 192 . 1 1 17 17 ASP HA H 1 5.077 . . 1 . 503 . . 17 ASP HA . 26618 1 193 . 1 1 17 17 ASP HB2 H 1 2.768 . . 2 . 867 . . 17 ASP HB2 . 26618 1 194 . 1 1 17 17 ASP HB3 H 1 2.002 . . 2 . 866 . . 17 ASP HB3 . 26618 1 195 . 1 1 17 17 ASP C C 13 175.594 . . 1 . 204 . . 17 ASP C . 26618 1 196 . 1 1 17 17 ASP CA C 13 49.990 . . 1 . 315 . . 17 ASP CA . 26618 1 197 . 1 1 17 17 ASP CB C 13 43.045 . . 1 . 314 . . 17 ASP CB . 26618 1 198 . 1 1 17 17 ASP N N 15 128.398 . . 1 . 12 . . 17 ASP N . 26618 1 199 . 1 1 18 18 PRO HA H 1 4.199 . . 1 . 1053 . . 18 PRO HA . 26618 1 200 . 1 1 18 18 PRO HB2 H 1 2.438 . . 2 . 1055 . . 18 PRO HB2 . 26618 1 201 . 1 1 18 18 PRO HB3 H 1 1.830 . . 2 . 1054 . . 18 PRO HB3 . 26618 1 202 . 1 1 18 18 PRO HG2 H 1 1.950 . . 2 . 1057 . . 18 PRO HG2 . 26618 1 203 . 1 1 18 18 PRO HG3 H 1 1.897 . . 2 . 1093 . . 18 PRO HG3 . 26618 1 204 . 1 1 18 18 PRO C C 13 175.891 . . 1 . 1048 . . 18 PRO C . 26618 1 205 . 1 1 18 18 PRO CA C 13 62.864 . . 1 . 1049 . . 18 PRO CA . 26618 1 206 . 1 1 18 18 PRO CB C 13 33.443 . . 1 . 1050 . . 18 PRO CB . 26618 1 207 . 1 1 18 18 PRO CG C 13 27.039 . . 1 . 1052 . . 18 PRO CG . 26618 1 208 . 1 1 18 18 PRO CD C 13 50.968 . . 1 . 1051 . . 18 PRO CD . 26618 1 209 . 1 1 19 19 ARG H H 1 8.056 . . 1 . 145 . . 19 ARG H . 26618 1 210 . 1 1 19 19 ARG HA H 1 4.282 . . 1 . 576 . . 19 ARG HA . 26618 1 211 . 1 1 19 19 ARG HB2 H 1 1.805 . . 2 . 1118 . . 19 ARG HB2 . 26618 1 212 . 1 1 19 19 ARG HB3 H 1 1.444 . . 2 . 1117 . . 19 ARG HB3 . 26618 1 213 . 1 1 19 19 ARG C C 13 174.668 . . 1 . 270 . . 19 ARG C . 26618 1 214 . 1 1 19 19 ARG CA C 13 54.403 . . 1 . 447 . . 19 ARG CA . 26618 1 215 . 1 1 19 19 ARG CB C 13 29.506 . . 1 . 446 . . 19 ARG CB . 26618 1 216 . 1 1 19 19 ARG CG C 13 25.431 . . 1 . 1047 . . 19 ARG CG . 26618 1 217 . 1 1 19 19 ARG CD C 13 43.151 . . 1 . 1046 . . 19 ARG CD . 26618 1 218 . 1 1 19 19 ARG N N 15 115.902 . . 1 . 146 . . 19 ARG N . 26618 1 219 . 1 1 20 20 PHE HA H 1 4.236 . . 1 . 1062 . . 20 PHE HA . 26618 1 220 . 1 1 20 20 PHE HB2 H 1 3.553 . . 2 . 1058 . . 20 PHE HB2 . 26618 1 221 . 1 1 20 20 PHE HB3 H 1 3.165 . . 2 . 1063 . . 20 PHE HB3 . 26618 1 222 . 1 1 20 20 PHE CA C 13 61.932 . . 1 . 1061 . . 20 PHE CA . 26618 1 223 . 1 1 20 20 PHE CB C 13 40.239 . . 1 . 1059 . . 20 PHE CB . 26618 1 224 . 1 1 21 21 GLY HA2 H 1 3.647 . . 2 . 975 . . 21 GLY HA2 . 26618 1 225 . 1 1 21 21 GLY HA3 H 1 3.368 . . 2 . 974 . . 21 GLY HA3 . 26618 1 226 . 1 1 21 21 GLY C C 13 173.312 . . 1 . 972 . . 21 GLY C . 26618 1 227 . 1 1 21 21 GLY CA C 13 45.399 . . 1 . 973 . . 21 GLY CA . 26618 1 228 . 1 1 22 22 ARG H H 1 7.158 . . 1 . 135 . . 22 ARG H . 26618 1 229 . 1 1 22 22 ARG HA H 1 4.369 . . 1 . 570 . . 22 ARG HA . 26618 1 230 . 1 1 22 22 ARG HB2 H 1 1.892 . . 2 . 736 . . 22 ARG HB2 . 26618 1 231 . 1 1 22 22 ARG HB3 H 1 1.338 . . 2 . 1120 . . 22 ARG HB3 . 26618 1 232 . 1 1 22 22 ARG C C 13 174.769 . . 1 . 265 . . 22 ARG C . 26618 1 233 . 1 1 22 22 ARG CA C 13 53.877 . . 1 . 437 . . 22 ARG CA . 26618 1 234 . 1 1 22 22 ARG CB C 13 30.690 . . 1 . 438 . . 22 ARG CB . 26618 1 235 . 1 1 22 22 ARG CG C 13 26.822 . . 1 . 735 . . 22 ARG CG . 26618 1 236 . 1 1 22 22 ARG CD C 13 42.825 . . 1 . 734 . . 22 ARG CD . 26618 1 237 . 1 1 22 22 ARG N N 15 114.507 . . 1 . 136 . . 22 ARG N . 26618 1 238 . 1 1 23 23 ALA H H 1 7.009 . . 1 . 29 . . 23 ALA H . 26618 1 239 . 1 1 23 23 ALA HA H 1 4.102 . . 1 . 512 . . 23 ALA HA . 26618 1 240 . 1 1 23 23 ALA HB1 H 1 1.273 . . 1 . 737 . . 23 ALA HB1 . 26618 1 241 . 1 1 23 23 ALA HB2 H 1 1.273 . . 1 . 737 . . 23 ALA HB2 . 26618 1 242 . 1 1 23 23 ALA HB3 H 1 1.273 . . 1 . 737 . . 23 ALA HB3 . 26618 1 243 . 1 1 23 23 ALA C C 13 177.446 . . 1 . 213 . . 23 ALA C . 26618 1 244 . 1 1 23 23 ALA CA C 13 52.397 . . 1 . 332 . . 23 ALA CA . 26618 1 245 . 1 1 23 23 ALA CB C 13 19.206 . . 1 . 333 . . 23 ALA CB . 26618 1 246 . 1 1 23 23 ALA N N 15 122.518 . . 1 . 30 . . 23 ALA N . 26618 1 247 . 1 1 24 24 ARG H H 1 8.475 . . 1 . 185 . . 24 ARG H . 26618 1 248 . 1 1 24 24 ARG HA H 1 4.080 . . 1 . 558 . . 24 ARG HA . 26618 1 249 . 1 1 24 24 ARG HB2 H 1 1.939 . . 2 . 743 . . 24 ARG HB2 . 26618 1 250 . 1 1 24 24 ARG HB3 H 1 1.848 . . 2 . 742 . . 24 ARG HB3 . 26618 1 251 . 1 1 24 24 ARG C C 13 177.148 . . 1 . 289 . . 24 ARG C . 26618 1 252 . 1 1 24 24 ARG CA C 13 57.425 . . 1 . 480 . . 24 ARG CA . 26618 1 253 . 1 1 24 24 ARG CB C 13 30.671 . . 1 . 479 . . 24 ARG CB . 26618 1 254 . 1 1 24 24 ARG CG C 13 26.745 . . 1 . 739 . . 24 ARG CG . 26618 1 255 . 1 1 24 24 ARG CD C 13 43.093 . . 1 . 738 . . 24 ARG CD . 26618 1 256 . 1 1 24 24 ARG N N 15 118.990 . . 1 . 186 . . 24 ARG N . 26618 1 257 . 1 1 25 25 SER H H 1 7.910 . . 1 . 157 . . 25 SER H . 26618 1 258 . 1 1 25 25 SER HA H 1 5.221 . . 1 . 583 . . 25 SER HA . 26618 1 259 . 1 1 25 25 SER HB2 H 1 3.639 . . 2 . 744 . . 25 SER HB2 . 26618 1 260 . 1 1 25 25 SER HB3 H 1 3.454 . . 2 . 745 . . 25 SER HB3 . 26618 1 261 . 1 1 25 25 SER C C 13 173.167 . . 1 . 276 . . 25 SER C . 26618 1 262 . 1 1 25 25 SER CA C 13 57.066 . . 1 . 456 . . 25 SER CA . 26618 1 263 . 1 1 25 25 SER CB C 13 66.541 . . 1 . 455 . . 25 SER CB . 26618 1 264 . 1 1 25 25 SER N N 15 112.388 . . 1 . 158 . . 25 SER N . 26618 1 265 . 1 1 26 26 PHE H H 1 8.863 . . 1 . 236 . . 26 PHE H . 26618 1 266 . 1 1 26 26 PHE HA H 1 5.414 . . 1 . 528 . . 26 PHE HA . 26618 1 267 . 1 1 26 26 PHE HB2 H 1 2.926 . . 2 . 746 . . 26 PHE HB2 . 26618 1 268 . 1 1 26 26 PHE HB3 H 1 2.691 . . 2 . 747 . . 26 PHE HB3 . 26618 1 269 . 1 1 26 26 PHE HD1 H 1 6.765 . . 3 . 1015 . . 26 PHE HD1 . 26618 1 270 . 1 1 26 26 PHE HD2 H 1 6.765 . . 3 . 1015 . . 26 PHE HD2 . 26618 1 271 . 1 1 26 26 PHE C C 13 175.365 . . 1 . 239 . . 26 PHE C . 26618 1 272 . 1 1 26 26 PHE CA C 13 52.550 . . 1 . 493 . . 26 PHE CA . 26618 1 273 . 1 1 26 26 PHE CB C 13 40.986 . . 1 . 494 . . 26 PHE CB . 26618 1 274 . 1 1 26 26 PHE CD1 C 13 129.733 . . 3 . 946 . . 26 PHE CD1 . 26618 1 275 . 1 1 26 26 PHE CD2 C 13 129.733 . . 3 . 946 . . 26 PHE CD2 . 26618 1 276 . 1 1 26 26 PHE N N 15 120.318 . . 1 . 237 . . 26 PHE N . 26618 1 277 . 1 1 27 27 ILE H H 1 9.307 . . 1 . 27 . . 27 ILE H . 26618 1 278 . 1 1 27 27 ILE HA H 1 4.429 . . 1 . 511 . . 27 ILE HA . 26618 1 279 . 1 1 27 27 ILE HB H 1 1.768 . . 1 . 751 . . 27 ILE HB . 26618 1 280 . 1 1 27 27 ILE HG12 H 1 1.309 . . 2 . 754 . . 27 ILE HG12 . 26618 1 281 . 1 1 27 27 ILE HG13 H 1 0.899 . . 2 . 755 . . 27 ILE HG13 . 26618 1 282 . 1 1 27 27 ILE HG21 H 1 0.589 . . 1 . 753 . . 27 ILE HG21 . 26618 1 283 . 1 1 27 27 ILE HG22 H 1 0.589 . . 1 . 753 . . 27 ILE HG22 . 26618 1 284 . 1 1 27 27 ILE HG23 H 1 0.589 . . 1 . 753 . . 27 ILE HG23 . 26618 1 285 . 1 1 27 27 ILE HD11 H 1 0.393 . . 1 . 752 . . 27 ILE HD11 . 26618 1 286 . 1 1 27 27 ILE HD12 H 1 0.393 . . 1 . 752 . . 27 ILE HD12 . 26618 1 287 . 1 1 27 27 ILE HD13 H 1 0.393 . . 1 . 752 . . 27 ILE HD13 . 26618 1 288 . 1 1 27 27 ILE C C 13 175.243 . . 1 . 212 . . 27 ILE C . 26618 1 289 . 1 1 27 27 ILE CA C 13 59.214 . . 1 . 330 . . 27 ILE CA . 26618 1 290 . 1 1 27 27 ILE CB C 13 36.086 . . 1 . 331 . . 27 ILE CB . 26618 1 291 . 1 1 27 27 ILE CG1 C 13 27.394 . . 1 . 748 . . 27 ILE CG1 . 26618 1 292 . 1 1 27 27 ILE CG2 C 13 17.678 . . 1 . 749 . . 27 ILE CG2 . 26618 1 293 . 1 1 27 27 ILE CD1 C 13 8.772 . . 1 . 750 . . 27 ILE CD1 . 26618 1 294 . 1 1 27 27 ILE N N 15 121.566 . . 1 . 28 . . 27 ILE N . 26618 1 295 . 1 1 28 28 VAL H H 1 9.229 . . 1 . 1 . . 28 VAL H . 26618 1 296 . 1 1 28 28 VAL HA H 1 4.465 . . 1 . 498 . . 28 VAL HA . 26618 1 297 . 1 1 28 28 VAL HB H 1 1.141 . . 1 . 756 . . 28 VAL HB . 26618 1 298 . 1 1 28 28 VAL C C 13 175.888 . . 1 . 200 . . 28 VAL C . 26618 1 299 . 1 1 28 28 VAL CA C 13 61.318 . . 1 . 304 . . 28 VAL CA . 26618 1 300 . 1 1 28 28 VAL CB C 13 30.780 . . 1 . 305 . . 28 VAL CB . 26618 1 301 . 1 1 28 28 VAL CG1 C 13 20.665 . . 2 . 1122 . . 28 VAL CG1 . 26618 1 302 . 1 1 28 28 VAL CG2 C 13 20.468 . . 2 . 1121 . . 28 VAL CG2 . 26618 1 303 . 1 1 28 28 VAL N N 15 129.685 . . 1 . 2 . . 28 VAL N . 26618 1 304 . 1 1 29 29 CYS H H 1 9.116 . . 1 . 21 . . 29 CYS H . 26618 1 305 . 1 1 29 29 CYS HA H 1 5.054 . . 1 . 508 . . 29 CYS HA . 26618 1 306 . 1 1 29 29 CYS HB2 H 1 2.537 . . 2 . 757 . . 29 CYS HB2 . 26618 1 307 . 1 1 29 29 CYS HB3 H 1 2.463 . . 2 . 1071 . . 29 CYS HB3 . 26618 1 308 . 1 1 29 29 CYS C C 13 173.180 . . 1 . 209 . . 29 CYS C . 26618 1 309 . 1 1 29 29 CYS CA C 13 56.393 . . 1 . 324 . . 29 CYS CA . 26618 1 310 . 1 1 29 29 CYS CB C 13 30.185 . . 1 . 325 . . 29 CYS CB . 26618 1 311 . 1 1 29 29 CYS N N 15 124.628 . . 1 . 22 . . 29 CYS N . 26618 1 312 . 1 1 30 30 ASP H H 1 8.378 . . 1 . 45 . . 30 ASP H . 26618 1 313 . 1 1 30 30 ASP HA H 1 5.230 . . 1 . 520 . . 30 ASP HA . 26618 1 314 . 1 1 30 30 ASP HB2 H 1 3.132 . . 2 . 759 . . 30 ASP HB2 . 26618 1 315 . 1 1 30 30 ASP HB3 H 1 2.316 . . 2 . 758 . . 30 ASP HB3 . 26618 1 316 . 1 1 30 30 ASP C C 13 178.350 . . 1 . 221 . . 30 ASP C . 26618 1 317 . 1 1 30 30 ASP CA C 13 52.484 . . 1 . 348 . . 30 ASP CA . 26618 1 318 . 1 1 30 30 ASP CB C 13 42.888 . . 1 . 349 . . 30 ASP CB . 26618 1 319 . 1 1 30 30 ASP N N 15 123.897 . . 1 . 46 . . 30 ASP N . 26618 1 320 . 1 1 31 31 THR H H 1 9.152 . . 1 . 127 . . 31 THR H . 26618 1 321 . 1 1 31 31 THR HA H 1 3.946 . . 1 . 565 . . 31 THR HA . 26618 1 322 . 1 1 31 31 THR HB H 1 4.414 . . 1 . 761 . . 31 THR HB . 26618 1 323 . 1 1 31 31 THR HG21 H 1 1.168 . . 1 . 841 . . 31 THR HG21 . 26618 1 324 . 1 1 31 31 THR HG22 H 1 1.168 . . 1 . 841 . . 31 THR HG22 . 26618 1 325 . 1 1 31 31 THR HG23 H 1 1.168 . . 1 . 841 . . 31 THR HG23 . 26618 1 326 . 1 1 31 31 THR C C 13 175.726 . . 1 . 261 . . 31 THR C . 26618 1 327 . 1 1 31 31 THR CA C 13 64.851 . . 1 . 431 . . 31 THR CA . 26618 1 328 . 1 1 31 31 THR CB C 13 68.303 . . 1 . 430 . . 31 THR CB . 26618 1 329 . 1 1 31 31 THR CG2 C 13 21.594 . . 1 . 760 . . 31 THR CG2 . 26618 1 330 . 1 1 31 31 THR N N 15 116.200 . . 1 . 128 . . 31 THR N . 26618 1 331 . 1 1 32 32 GLU H H 1 8.722 . . 1 . 63 . . 32 GLU H . 26618 1 332 . 1 1 32 32 GLU HA H 1 4.303 . . 1 . 530 . . 32 GLU HA . 26618 1 333 . 1 1 32 32 GLU HG2 H 1 2.205 . . 2 . 764 . . 32 GLU HG2 . 26618 1 334 . 1 1 32 32 GLU HG3 H 1 2.099 . . 2 . 765 . . 32 GLU HG3 . 26618 1 335 . 1 1 32 32 GLU C C 13 178.048 . . 1 . 229 . . 32 GLU C . 26618 1 336 . 1 1 32 32 GLU CA C 13 58.161 . . 1 . 366 . . 32 GLU CA . 26618 1 337 . 1 1 32 32 GLU CB C 13 30.083 . . 1 . 367 . . 32 GLU CB . 26618 1 338 . 1 1 32 32 GLU CG C 13 36.597 . . 1 . 762 . . 32 GLU CG . 26618 1 339 . 1 1 32 32 GLU N N 15 120.567 . . 1 . 64 . . 32 GLU N . 26618 1 340 . 1 1 33 33 THR H H 1 7.563 . . 1 . 165 . . 33 THR H . 26618 1 341 . 1 1 33 33 THR HA H 1 4.357 . . 1 . 589 . . 33 THR HA . 26618 1 342 . 1 1 33 33 THR HB H 1 4.331 . . 1 . 767 . . 33 THR HB . 26618 1 343 . 1 1 33 33 THR HG21 H 1 1.122 . . 1 . 768 . . 33 THR HG21 . 26618 1 344 . 1 1 33 33 THR HG22 H 1 1.122 . . 1 . 768 . . 33 THR HG22 . 26618 1 345 . 1 1 33 33 THR HG23 H 1 1.122 . . 1 . 768 . . 33 THR HG23 . 26618 1 346 . 1 1 33 33 THR C C 13 176.689 . . 1 . 280 . . 33 THR C . 26618 1 347 . 1 1 33 33 THR CA C 13 61.469 . . 1 . 461 . . 33 THR CA . 26618 1 348 . 1 1 33 33 THR CB C 13 70.467 . . 1 . 462 . . 33 THR CB . 26618 1 349 . 1 1 33 33 THR CG2 C 13 21.223 . . 1 . 766 . . 33 THR CG2 . 26618 1 350 . 1 1 33 33 THR N N 15 106.571 . . 1 . 166 . . 33 THR N . 26618 1 351 . 1 1 34 34 GLY H H 1 8.172 . . 1 . 155 . . 34 GLY H . 26618 1 352 . 1 1 34 34 GLY HA2 H 1 4.141 . . 2 . 581 . . 34 GLY HA2 . 26618 1 353 . 1 1 34 34 GLY HA3 H 1 3.602 . . 2 . 582 . . 34 GLY HA3 . 26618 1 354 . 1 1 34 34 GLY C C 13 173.486 . . 1 . 275 . . 34 GLY C . 26618 1 355 . 1 1 34 34 GLY CA C 13 45.251 . . 1 . 454 . . 34 GLY CA . 26618 1 356 . 1 1 34 34 GLY N N 15 111.159 . . 1 . 156 . . 34 GLY N . 26618 1 357 . 1 1 35 35 ALA H H 1 7.725 . . 1 . 33 . . 35 ALA H . 26618 1 358 . 1 1 35 35 ALA HA H 1 4.258 . . 1 . 514 . . 35 ALA HA . 26618 1 359 . 1 1 35 35 ALA HB1 H 1 1.342 . . 1 . 769 . . 35 ALA HB1 . 26618 1 360 . 1 1 35 35 ALA HB2 H 1 1.342 . . 1 . 769 . . 35 ALA HB2 . 26618 1 361 . 1 1 35 35 ALA HB3 H 1 1.342 . . 1 . 769 . . 35 ALA HB3 . 26618 1 362 . 1 1 35 35 ALA C C 13 177.446 . . 1 . 215 . . 35 ALA C . 26618 1 363 . 1 1 35 35 ALA CA C 13 53.169 . . 1 . 336 . . 35 ALA CA . 26618 1 364 . 1 1 35 35 ALA CB C 13 19.444 . . 1 . 337 . . 35 ALA CB . 26618 1 365 . 1 1 35 35 ALA N N 15 123.840 . . 1 . 34 . . 35 ALA N . 26618 1 366 . 1 1 36 36 THR H H 1 8.168 . . 1 . 149 . . 36 THR H . 26618 1 367 . 1 1 36 36 THR HA H 1 5.521 . . 1 . 578 . . 36 THR HA . 26618 1 368 . 1 1 36 36 THR HB H 1 3.809 . . 1 . 771 . . 36 THR HB . 26618 1 369 . 1 1 36 36 THR HG21 H 1 1.033 . . 1 . 772 . . 36 THR HG21 . 26618 1 370 . 1 1 36 36 THR HG22 H 1 1.033 . . 1 . 772 . . 36 THR HG22 . 26618 1 371 . 1 1 36 36 THR HG23 H 1 1.033 . . 1 . 772 . . 36 THR HG23 . 26618 1 372 . 1 1 36 36 THR C C 13 173.874 . . 1 . 272 . . 36 THR C . 26618 1 373 . 1 1 36 36 THR CA C 13 59.960 . . 1 . 451 . . 36 THR CA . 26618 1 374 . 1 1 36 36 THR CB C 13 72.839 . . 1 . 450 . . 36 THR CB . 26618 1 375 . 1 1 36 36 THR CG2 C 13 21.710 . . 1 . 770 . . 36 THR CG2 . 26618 1 376 . 1 1 36 36 THR N N 15 113.348 . . 1 . 150 . . 36 THR N . 26618 1 377 . 1 1 37 37 HIS H H 1 8.624 . . 1 . 65 . . 37 HIS H . 26618 1 378 . 1 1 37 37 HIS HA H 1 4.758 . . 1 . 531 . . 37 HIS HA . 26618 1 379 . 1 1 37 37 HIS HB2 H 1 3.121 . . 2 . 773 . . 37 HIS HB2 . 26618 1 380 . 1 1 37 37 HIS HB3 H 1 3.091 . . 2 . 774 . . 37 HIS HB3 . 26618 1 381 . 1 1 37 37 HIS HE1 H 1 7.522 . . 1 . 1149 . . 37 HIS HE1 . 26618 1 382 . 1 1 37 37 HIS C C 13 171.725 . . 1 . 230 . . 37 HIS C . 26618 1 383 . 1 1 37 37 HIS CA C 13 56.194 . . 1 . 368 . . 37 HIS CA . 26618 1 384 . 1 1 37 37 HIS CB C 13 32.494 . . 1 . 369 . . 37 HIS CB . 26618 1 385 . 1 1 37 37 HIS CE1 C 13 138.090 . . 1 . 1150 . . 37 HIS CE1 . 26618 1 386 . 1 1 37 37 HIS N N 15 119.597 . . 1 . 66 . . 37 HIS N . 26618 1 387 . 1 1 38 38 ALA H H 1 8.519 . . 1 . 49 . . 38 ALA H . 26618 1 388 . 1 1 38 38 ALA HA H 1 5.439 . . 1 . 522 . . 38 ALA HA . 26618 1 389 . 1 1 38 38 ALA HB1 H 1 1.250 . . 1 . 775 . . 38 ALA HB1 . 26618 1 390 . 1 1 38 38 ALA HB2 H 1 1.250 . . 1 . 775 . . 38 ALA HB2 . 26618 1 391 . 1 1 38 38 ALA HB3 H 1 1.250 . . 1 . 775 . . 38 ALA HB3 . 26618 1 392 . 1 1 38 38 ALA C C 13 177.082 . . 1 . 223 . . 38 ALA C . 26618 1 393 . 1 1 38 38 ALA CA C 13 50.553 . . 1 . 352 . . 38 ALA CA . 26618 1 394 . 1 1 38 38 ALA CB C 13 21.406 . . 1 . 353 . . 38 ALA CB . 26618 1 395 . 1 1 38 38 ALA N N 15 123.165 . . 1 . 50 . . 38 ALA N . 26618 1 396 . 1 1 39 39 VAL H H 1 9.060 . . 1 . 59 . . 39 VAL H . 26618 1 397 . 1 1 39 39 VAL HA H 1 4.206 . . 1 . 527 . . 39 VAL HA . 26618 1 398 . 1 1 39 39 VAL HB H 1 1.827 . . 1 . 778 . . 39 VAL HB . 26618 1 399 . 1 1 39 39 VAL HG11 H 1 0.906 . . 2 . 777 . . 39 VAL HG11 . 26618 1 400 . 1 1 39 39 VAL HG12 H 1 0.906 . . 2 . 777 . . 39 VAL HG12 . 26618 1 401 . 1 1 39 39 VAL HG13 H 1 0.906 . . 2 . 777 . . 39 VAL HG13 . 26618 1 402 . 1 1 39 39 VAL HG21 H 1 0.803 . . 2 . 776 . . 39 VAL HG21 . 26618 1 403 . 1 1 39 39 VAL HG22 H 1 0.803 . . 2 . 776 . . 39 VAL HG22 . 26618 1 404 . 1 1 39 39 VAL HG23 H 1 0.803 . . 2 . 776 . . 39 VAL HG23 . 26618 1 405 . 1 1 39 39 VAL C C 13 174.603 . . 1 . 228 . . 39 VAL C . 26618 1 406 . 1 1 39 39 VAL CA C 13 61.092 . . 1 . 362 . . 39 VAL CA . 26618 1 407 . 1 1 39 39 VAL CB C 13 35.542 . . 1 . 363 . . 39 VAL CB . 26618 1 408 . 1 1 39 39 VAL CG1 C 13 21.140 . . 2 . 1124 . . 39 VAL CG1 . 26618 1 409 . 1 1 39 39 VAL CG2 C 13 20.788 . . 2 . 1123 . . 39 VAL CG2 . 26618 1 410 . 1 1 39 39 VAL N N 15 121.047 . . 1 . 60 . . 39 VAL N . 26618 1 411 . 1 1 40 40 ASP H H 1 8.566 . . 1 . 7 . . 40 ASP H . 26618 1 412 . 1 1 40 40 ASP HA H 1 4.703 . . 1 . 501 . . 40 ASP HA . 26618 1 413 . 1 1 40 40 ASP HB2 H 1 2.645 . . 2 . 779 . . 40 ASP HB2 . 26618 1 414 . 1 1 40 40 ASP HB3 H 1 2.476 . . 2 . 780 . . 40 ASP HB3 . 26618 1 415 . 1 1 40 40 ASP C C 13 176.091 . . 1 . 203 . . 40 ASP C . 26618 1 416 . 1 1 40 40 ASP CA C 13 54.019 . . 1 . 310 . . 40 ASP CA . 26618 1 417 . 1 1 40 40 ASP CB C 13 40.856 . . 1 . 311 . . 40 ASP CB . 26618 1 418 . 1 1 40 40 ASP N N 15 126.260 . . 1 . 8 . . 40 ASP N . 26618 1 419 . 1 1 41 41 VAL H H 1 7.905 . . 1 . 37 . . 41 VAL H . 26618 1 420 . 1 1 41 41 VAL HA H 1 3.837 . . 1 . 516 . . 41 VAL HA . 26618 1 421 . 1 1 41 41 VAL HB H 1 1.587 . . 1 . 785 . . 41 VAL HB . 26618 1 422 . 1 1 41 41 VAL HG11 H 1 0.217 . . 2 . 784 . . 41 VAL HG11 . 26618 1 423 . 1 1 41 41 VAL HG12 H 1 0.217 . . 2 . 784 . . 41 VAL HG12 . 26618 1 424 . 1 1 41 41 VAL HG13 H 1 0.217 . . 2 . 784 . . 41 VAL HG13 . 26618 1 425 . 1 1 41 41 VAL HG21 H 1 -0.147 . . 2 . 783 . . 41 VAL HG21 . 26618 1 426 . 1 1 41 41 VAL HG22 H 1 -0.147 . . 2 . 783 . . 41 VAL HG22 . 26618 1 427 . 1 1 41 41 VAL HG23 H 1 -0.147 . . 2 . 783 . . 41 VAL HG23 . 26618 1 428 . 1 1 41 41 VAL C C 13 176.718 . . 1 . 217 . . 41 VAL C . 26618 1 429 . 1 1 41 41 VAL CA C 13 62.711 . . 1 . 340 . . 41 VAL CA . 26618 1 430 . 1 1 41 41 VAL CB C 13 30.890 . . 1 . 341 . . 41 VAL CB . 26618 1 431 . 1 1 41 41 VAL CG1 C 13 20.790 . . 2 . 782 . . 41 VAL CG1 . 26618 1 432 . 1 1 41 41 VAL CG2 C 13 19.274 . . 2 . 781 . . 41 VAL CG2 . 26618 1 433 . 1 1 41 41 VAL N N 15 124.009 . . 1 . 38 . . 41 VAL N . 26618 1 434 . 1 1 42 42 SER H H 1 8.033 . . 1 . 179 . . 42 SER H . 26618 1 435 . 1 1 42 42 SER HA H 1 4.050 . . 1 . 575 . . 42 SER HA . 26618 1 436 . 1 1 42 42 SER C C 13 175.869 . . 1 . 286 . . 42 SER C . 26618 1 437 . 1 1 42 42 SER CA C 13 60.814 . . 1 . 474 . . 42 SER CA . 26618 1 438 . 1 1 42 42 SER CB C 13 63.222 . . 1 . 473 . . 42 SER CB . 26618 1 439 . 1 1 42 42 SER N N 15 116.841 . . 1 . 180 . . 42 SER N . 26618 1 440 . 1 1 43 43 ALA H H 1 8.085 . . 1 . 39 . . 43 ALA H . 26618 1 441 . 1 1 43 43 ALA HA H 1 4.081 . . 1 . 517 . . 43 ALA HA . 26618 1 442 . 1 1 43 43 ALA HB1 H 1 1.231 . . 1 . 805 . . 43 ALA HB1 . 26618 1 443 . 1 1 43 43 ALA HB2 H 1 1.231 . . 1 . 805 . . 43 ALA HB2 . 26618 1 444 . 1 1 43 43 ALA HB3 H 1 1.231 . . 1 . 805 . . 43 ALA HB3 . 26618 1 445 . 1 1 43 43 ALA C C 13 178.107 . . 1 . 218 . . 43 ALA C . 26618 1 446 . 1 1 43 43 ALA CA C 13 53.708 . . 1 . 342 . . 43 ALA CA . 26618 1 447 . 1 1 43 43 ALA CB C 13 18.698 . . 1 . 343 . . 43 ALA CB . 26618 1 448 . 1 1 43 43 ALA N N 15 124.037 . . 1 . 40 . . 43 ALA N . 26618 1 449 . 1 1 44 44 ASN H H 1 7.854 . . 1 . 139 . . 44 ASN H . 26618 1 450 . 1 1 44 44 ASN HA H 1 4.589 . . 1 . 572 . . 44 ASN HA . 26618 1 451 . 1 1 44 44 ASN HB2 H 1 2.806 . . 2 . 806 . . 44 ASN HB2 . 26618 1 452 . 1 1 44 44 ASN HB3 H 1 2.539 . . 2 . 807 . . 44 ASN HB3 . 26618 1 453 . 1 1 44 44 ASN HD21 H 1 7.494 . . 1 . 913 . . 44 ASN HD21 . 26618 1 454 . 1 1 44 44 ASN HD22 H 1 6.729 . . 1 . 914 . . 44 ASN HD22 . 26618 1 455 . 1 1 44 44 ASN C C 13 175.329 . . 1 . 267 . . 44 ASN C . 26618 1 456 . 1 1 44 44 ASN CA C 13 52.899 . . 1 . 497 . . 44 ASN CA . 26618 1 457 . 1 1 44 44 ASN CB C 13 38.948 . . 1 . 441 . . 44 ASN CB . 26618 1 458 . 1 1 44 44 ASN CG C 13 176.685 . . 1 . 907 . . 44 ASN CG . 26618 1 459 . 1 1 44 44 ASN N N 15 115.365 . . 1 . 140 . . 44 ASN N . 26618 1 460 . 1 1 44 44 ASN ND2 N 15 112.297 . . 1 . 928 . . 44 ASN ND2 . 26618 1 461 . 1 1 45 45 MET H H 1 7.684 . . 1 . 181 . . 45 MET H . 26618 1 462 . 1 1 45 45 MET HA H 1 4.228 . . 1 . 804 . . 45 MET HA . 26618 1 463 . 1 1 45 45 MET HG2 H 1 2.434 . . 2 . 810 . . 45 MET HG2 . 26618 1 464 . 1 1 45 45 MET HG3 H 1 2.387 . . 2 . 809 . . 45 MET HG3 . 26618 1 465 . 1 1 45 45 MET HE1 H 1 2.050 . . 1 . 940 . . 45 MET HE1 . 26618 1 466 . 1 1 45 45 MET HE2 H 1 2.050 . . 1 . 940 . . 45 MET HE2 . 26618 1 467 . 1 1 45 45 MET HE3 H 1 2.050 . . 1 . 940 . . 45 MET HE3 . 26618 1 468 . 1 1 45 45 MET C C 13 175.865 . . 1 . 287 . . 45 MET C . 26618 1 469 . 1 1 45 45 MET CA C 13 56.028 . . 1 . 475 . . 45 MET CA . 26618 1 470 . 1 1 45 45 MET CB C 13 32.664 . . 1 . 476 . . 45 MET CB . 26618 1 471 . 1 1 45 45 MET CG C 13 31.822 . . 1 . 808 . . 45 MET CG . 26618 1 472 . 1 1 45 45 MET CE C 13 16.953 . . 1 . 941 . . 45 MET CE . 26618 1 473 . 1 1 45 45 MET N N 15 119.455 . . 1 . 182 . . 45 MET N . 26618 1 474 . 1 1 46 46 ASN H H 1 8.470 . . 1 . 187 . . 46 ASN H . 26618 1 475 . 1 1 46 46 ASN HA H 1 3.862 . . 1 . 597 . . 46 ASN HA . 26618 1 476 . 1 1 46 46 ASN HD21 H 1 7.324 . . 1 . 915 . . 46 ASN HD21 . 26618 1 477 . 1 1 46 46 ASN HD22 H 1 6.749 . . 1 . 916 . . 46 ASN HD22 . 26618 1 478 . 1 1 46 46 ASN C C 13 177.280 . . 1 . 290 . . 46 ASN C . 26618 1 479 . 1 1 46 46 ASN CA C 13 52.429 . . 1 . 482 . . 46 ASN CA . 26618 1 480 . 1 1 46 46 ASN CB C 13 39.012 . . 1 . 481 . . 46 ASN CB . 26618 1 481 . 1 1 46 46 ASN CG C 13 176.917 . . 1 . 908 . . 46 ASN CG . 26618 1 482 . 1 1 46 46 ASN N N 15 119.264 . . 1 . 188 . . 46 ASN N . 26618 1 483 . 1 1 46 46 ASN ND2 N 15 110.863 . . 1 . 929 . . 46 ASN ND2 . 26618 1 484 . 1 1 47 47 LEU HA H 1 4.192 . . 1 . 1079 . . 47 LEU HA . 26618 1 485 . 1 1 47 47 LEU HB2 H 1 1.563 . . 2 . 1072 . . 47 LEU HB2 . 26618 1 486 . 1 1 47 47 LEU HB3 H 1 1.517 . . 2 . 1074 . . 47 LEU HB3 . 26618 1 487 . 1 1 47 47 LEU HG H 1 1.548 . . 1 . 1081 . . 47 LEU HG . 26618 1 488 . 1 1 47 47 LEU HD11 H 1 0.813 . . 2 . 1080 . . 47 LEU HD11 . 26618 1 489 . 1 1 47 47 LEU HD12 H 1 0.813 . . 2 . 1080 . . 47 LEU HD12 . 26618 1 490 . 1 1 47 47 LEU HD13 H 1 0.813 . . 2 . 1080 . . 47 LEU HD13 . 26618 1 491 . 1 1 47 47 LEU HD21 H 1 0.750 . . 2 . 1082 . . 47 LEU HD21 . 26618 1 492 . 1 1 47 47 LEU HD22 H 1 0.750 . . 2 . 1082 . . 47 LEU HD22 . 26618 1 493 . 1 1 47 47 LEU HD23 H 1 0.750 . . 2 . 1082 . . 47 LEU HD23 . 26618 1 494 . 1 1 47 47 LEU CA C 13 55.555 . . 1 . 1075 . . 47 LEU CA . 26618 1 495 . 1 1 47 47 LEU CB C 13 41.872 . . 1 . 1073 . . 47 LEU CB . 26618 1 496 . 1 1 47 47 LEU CG C 13 26.770 . . 1 . 1076 . . 47 LEU CG . 26618 1 497 . 1 1 47 47 LEU CD1 C 13 24.944 . . 2 . 1077 . . 47 LEU CD1 . 26618 1 498 . 1 1 47 47 LEU CD2 C 13 22.971 . . 2 . 1078 . . 47 LEU CD2 . 26618 1 499 . 1 1 48 48 ALA HA H 1 4.129 . . 1 . 1044 . . 48 ALA HA . 26618 1 500 . 1 1 48 48 ALA HB1 H 1 1.339 . . 1 . 1045 . . 48 ALA HB1 . 26618 1 501 . 1 1 48 48 ALA HB2 H 1 1.339 . . 1 . 1045 . . 48 ALA HB2 . 26618 1 502 . 1 1 48 48 ALA HB3 H 1 1.339 . . 1 . 1045 . . 48 ALA HB3 . 26618 1 503 . 1 1 48 48 ALA C C 13 177.975 . . 1 . 1041 . . 48 ALA C . 26618 1 504 . 1 1 48 48 ALA CA C 13 53.335 . . 1 . 1042 . . 48 ALA CA . 26618 1 505 . 1 1 48 48 ALA CB C 13 18.611 . . 1 . 1043 . . 48 ALA CB . 26618 1 506 . 1 1 49 49 GLN H H 1 7.789 . . 1 . 177 . . 49 GLN H . 26618 1 507 . 1 1 49 49 GLN HA H 1 4.319 . . 1 . 596 . . 49 GLN HA . 26618 1 508 . 1 1 49 49 GLN HB2 H 1 2.051 . . 2 . 1036 . . 49 GLN HB2 . 26618 1 509 . 1 1 49 49 GLN HB3 H 1 1.874 . . 2 . 1035 . . 49 GLN HB3 . 26618 1 510 . 1 1 49 49 GLN HE21 H 1 6.776 . . 1 . 1038 . . 49 GLN HE21 . 26618 1 511 . 1 1 49 49 GLN HE22 H 1 7.397 . . 1 . 1039 . . 49 GLN HE22 . 26618 1 512 . 1 1 49 49 GLN C C 13 176.155 . . 1 . 295 . . 49 GLN C . 26618 1 513 . 1 1 49 49 GLN CA C 13 55.689 . . 1 . 471 . . 49 GLN CA . 26618 1 514 . 1 1 49 49 GLN CB C 13 30.100 . . 1 . 472 . . 49 GLN CB . 26618 1 515 . 1 1 49 49 GLN CG C 13 33.841 . . 1 . 1034 . . 49 GLN CG . 26618 1 516 . 1 1 49 49 GLN CD C 13 180.157 . . 1 . 1040 . . 49 GLN CD . 26618 1 517 . 1 1 49 49 GLN N N 15 116.003 . . 1 . 178 . . 49 GLN N . 26618 1 518 . 1 1 49 49 GLN NE2 N 15 111.664 . . 1 . 1037 . . 49 GLN NE2 . 26618 1 519 . 1 1 50 50 GLY CA C 13 45.128 . . 1 . 1136 . . 50 GLY CA . 26618 1 520 . 1 1 51 51 ALA HA H 1 5.363 . . 1 . 1140 . . 51 ALA HA . 26618 1 521 . 1 1 51 51 ALA HB1 H 1 1.534 . . 1 . 1137 . . 51 ALA HB1 . 26618 1 522 . 1 1 51 51 ALA HB2 H 1 1.534 . . 1 . 1137 . . 51 ALA HB2 . 26618 1 523 . 1 1 51 51 ALA HB3 H 1 1.534 . . 1 . 1137 . . 51 ALA HB3 . 26618 1 524 . 1 1 51 51 ALA CA C 13 51.985 . . 1 . 1139 . . 51 ALA CA . 26618 1 525 . 1 1 51 51 ALA CB C 13 20.812 . . 1 . 1138 . . 51 ALA CB . 26618 1 526 . 1 1 52 52 GLY HA2 H 1 4.112 . . 2 . 979 . . 52 GLY HA2 . 26618 1 527 . 1 1 52 52 GLY HA3 H 1 3.724 . . 2 . 978 . . 52 GLY HA3 . 26618 1 528 . 1 1 52 52 GLY C C 13 174.950 . . 1 . 976 . . 52 GLY C . 26618 1 529 . 1 1 52 52 GLY CA C 13 47.265 . . 1 . 977 . . 52 GLY CA . 26618 1 530 . 1 1 53 53 ILE H H 1 7.764 . . 1 . 87 . . 53 ILE H . 26618 1 531 . 1 1 53 53 ILE HA H 1 3.733 . . 1 . 542 . . 53 ILE HA . 26618 1 532 . 1 1 53 53 ILE HB H 1 1.829 . . 1 . 826 . . 53 ILE HB . 26618 1 533 . 1 1 53 53 ILE HG12 H 1 1.420 . . 2 . 825 . . 53 ILE HG12 . 26618 1 534 . 1 1 53 53 ILE HG13 H 1 1.103 . . 2 . 824 . . 53 ILE HG13 . 26618 1 535 . 1 1 53 53 ILE HG21 H 1 0.827 . . 1 . 827 . . 53 ILE HG21 . 26618 1 536 . 1 1 53 53 ILE HG22 H 1 0.827 . . 1 . 827 . . 53 ILE HG22 . 26618 1 537 . 1 1 53 53 ILE HG23 H 1 0.827 . . 1 . 827 . . 53 ILE HG23 . 26618 1 538 . 1 1 53 53 ILE HD11 H 1 0.753 . . 1 . 828 . . 53 ILE HD11 . 26618 1 539 . 1 1 53 53 ILE HD12 H 1 0.753 . . 1 . 828 . . 53 ILE HD12 . 26618 1 540 . 1 1 53 53 ILE HD13 H 1 0.753 . . 1 . 828 . . 53 ILE HD13 . 26618 1 541 . 1 1 53 53 ILE C C 13 178.213 . . 1 . 245 . . 53 ILE C . 26618 1 542 . 1 1 53 53 ILE CA C 13 63.602 . . 1 . 390 . . 53 ILE CA . 26618 1 543 . 1 1 53 53 ILE CB C 13 37.242 . . 1 . 391 . . 53 ILE CB . 26618 1 544 . 1 1 53 53 ILE CG1 C 13 27.827 . . 1 . 821 . . 53 ILE CG1 . 26618 1 545 . 1 1 53 53 ILE CG2 C 13 17.558 . . 1 . 822 . . 53 ILE CG2 . 26618 1 546 . 1 1 53 53 ILE CD1 C 13 12.562 . . 1 . 823 . . 53 ILE CD1 . 26618 1 547 . 1 1 53 53 ILE N N 15 120.017 . . 1 . 88 . . 53 ILE N . 26618 1 548 . 1 1 54 54 GLN H H 1 7.941 . . 1 . 97 . . 54 GLN H . 26618 1 549 . 1 1 54 54 GLN HA H 1 4.081 . . 1 . 547 . . 54 GLN HA . 26618 1 550 . 1 1 54 54 GLN HB2 H 1 2.058 . . 2 . 830 . . 54 GLN HB2 . 26618 1 551 . 1 1 54 54 GLN HB3 H 1 1.977 . . 2 . 829 . . 54 GLN HB3 . 26618 1 552 . 1 1 54 54 GLN HG2 H 1 2.332 . . 2 . 833 . . 54 GLN HG2 . 26618 1 553 . 1 1 54 54 GLN HG3 H 1 2.263 . . 2 . 832 . . 54 GLN HG3 . 26618 1 554 . 1 1 54 54 GLN HE21 H 1 7.135 . . 1 . 919 . . 54 GLN HE21 . 26618 1 555 . 1 1 54 54 GLN HE22 H 1 6.984 . . 1 . 920 . . 54 GLN HE22 . 26618 1 556 . 1 1 54 54 GLN C C 13 178.438 . . 1 . 250 . . 54 GLN C . 26618 1 557 . 1 1 54 54 GLN CA C 13 59.056 . . 1 . 400 . . 54 GLN CA . 26618 1 558 . 1 1 54 54 GLN CB C 13 28.392 . . 1 . 401 . . 54 GLN CB . 26618 1 559 . 1 1 54 54 GLN CG C 13 34.585 . . 1 . 831 . . 54 GLN CG . 26618 1 560 . 1 1 54 54 GLN CD C 13 179.628 . . 1 . 910 . . 54 GLN CD . 26618 1 561 . 1 1 54 54 GLN N N 15 121.154 . . 1 . 98 . . 54 GLN N . 26618 1 562 . 1 1 54 54 GLN NE2 N 15 112.444 . . 1 . 922 . . 54 GLN NE2 . 26618 1 563 . 1 1 55 55 ALA H H 1 8.390 . . 1 . 189 . . 55 ALA H . 26618 1 564 . 1 1 55 55 ALA HA H 1 3.805 . . 1 . 599 . . 55 ALA HA . 26618 1 565 . 1 1 55 55 ALA HB1 H 1 0.875 . . 1 . 850 . . 55 ALA HB1 . 26618 1 566 . 1 1 55 55 ALA HB2 H 1 0.875 . . 1 . 850 . . 55 ALA HB2 . 26618 1 567 . 1 1 55 55 ALA HB3 H 1 0.875 . . 1 . 850 . . 55 ALA HB3 . 26618 1 568 . 1 1 55 55 ALA C C 13 179.120 . . 1 . 291 . . 55 ALA C . 26618 1 569 . 1 1 55 55 ALA CA C 13 55.445 . . 1 . 483 . . 55 ALA CA . 26618 1 570 . 1 1 55 55 ALA CB C 13 17.710 . . 1 . 484 . . 55 ALA CB . 26618 1 571 . 1 1 55 55 ALA N N 15 122.954 . . 1 . 190 . . 55 ALA N . 26618 1 572 . 1 1 56 56 ALA H H 1 8.214 . . 1 . 103 . . 56 ALA H . 26618 1 573 . 1 1 56 56 ALA HA H 1 4.163 . . 1 . 550 . . 56 ALA HA . 26618 1 574 . 1 1 56 56 ALA HB1 H 1 1.490 . . 1 . 851 . . 56 ALA HB1 . 26618 1 575 . 1 1 56 56 ALA HB2 H 1 1.490 . . 1 . 851 . . 56 ALA HB2 . 26618 1 576 . 1 1 56 56 ALA HB3 H 1 1.490 . . 1 . 851 . . 56 ALA HB3 . 26618 1 577 . 1 1 56 56 ALA C C 13 179.463 . . 1 . 298 . . 56 ALA C . 26618 1 578 . 1 1 56 56 ALA CA C 13 56.052 . . 1 . 406 . . 56 ALA CA . 26618 1 579 . 1 1 56 56 ALA CB C 13 18.409 . . 1 . 407 . . 56 ALA CB . 26618 1 580 . 1 1 56 56 ALA N N 15 119.987 . . 1 . 104 . . 56 ALA N . 26618 1 581 . 1 1 57 57 GLN H H 1 7.822 . . 1 . 85 . . 57 GLN H . 26618 1 582 . 1 1 57 57 GLN HA H 1 3.893 . . 1 . 541 . . 57 GLN HA . 26618 1 583 . 1 1 57 57 GLN HB2 H 1 2.180 . . 2 . 1070 . . 57 GLN HB2 . 26618 1 584 . 1 1 57 57 GLN HB3 H 1 2.160 . . 2 . 623 . . 57 GLN HB3 . 26618 1 585 . 1 1 57 57 GLN HE21 H 1 7.764 . . 1 . 924 . . 57 GLN HE21 . 26618 1 586 . 1 1 57 57 GLN HE22 H 1 6.826 . . 1 . 925 . . 57 GLN HE22 . 26618 1 587 . 1 1 57 57 GLN C C 13 178.041 . . 1 . 244 . . 57 GLN C . 26618 1 588 . 1 1 57 57 GLN CA C 13 58.154 . . 1 . 388 . . 57 GLN CA . 26618 1 589 . 1 1 57 57 GLN CB C 13 27.910 . . 1 . 389 . . 57 GLN CB . 26618 1 590 . 1 1 57 57 GLN CG C 13 33.349 . . 1 . 621 . . 57 GLN CG . 26618 1 591 . 1 1 57 57 GLN CD C 13 180.257 . . 1 . 911 . . 57 GLN CD . 26618 1 592 . 1 1 57 57 GLN N N 15 119.229 . . 1 . 86 . . 57 GLN N . 26618 1 593 . 1 1 57 57 GLN NE2 N 15 115.480 . . 1 . 923 . . 57 GLN NE2 . 26618 1 594 . 1 1 58 58 MET H H 1 8.323 . . 1 . 109 . . 58 MET H . 26618 1 595 . 1 1 58 58 MET HA H 1 4.161 . . 1 . 554 . . 58 MET HA . 26618 1 596 . 1 1 58 58 MET HB2 H 1 2.141 . . 2 . 728 . . 58 MET HB2 . 26618 1 597 . 1 1 58 58 MET HB3 H 1 1.960 . . 2 . 730 . . 58 MET HB3 . 26618 1 598 . 1 1 58 58 MET HG2 H 1 2.683 . . 2 . 729 . . 58 MET HG2 . 26618 1 599 . 1 1 58 58 MET HG3 H 1 2.508 . . 2 . 712 . . 58 MET HG3 . 26618 1 600 . 1 1 58 58 MET HE1 H 1 1.880 . . 1 . 942 . . 58 MET HE1 . 26618 1 601 . 1 1 58 58 MET HE2 H 1 1.880 . . 1 . 942 . . 58 MET HE2 . 26618 1 602 . 1 1 58 58 MET HE3 H 1 1.880 . . 1 . 942 . . 58 MET HE3 . 26618 1 603 . 1 1 58 58 MET C C 13 179.302 . . 1 . 254 . . 58 MET C . 26618 1 604 . 1 1 58 58 MET CA C 13 59.179 . . 1 . 412 . . 58 MET CA . 26618 1 605 . 1 1 58 58 MET CB C 13 32.474 . . 1 . 413 . . 58 MET CB . 26618 1 606 . 1 1 58 58 MET CG C 13 32.775 . . 1 . 727 . . 58 MET CG . 26618 1 607 . 1 1 58 58 MET CE C 13 17.649 . . 1 . 943 . . 58 MET CE . 26618 1 608 . 1 1 58 58 MET N N 15 118.516 . . 1 . 110 . . 58 MET N . 26618 1 609 . 1 1 59 59 ALA H H 1 8.414 . . 1 . 47 . . 59 ALA H . 26618 1 610 . 1 1 59 59 ALA HA H 1 3.769 . . 1 . 521 . . 59 ALA HA . 26618 1 611 . 1 1 59 59 ALA HB1 H 1 1.201 . . 1 . 624 . . 59 ALA HB1 . 26618 1 612 . 1 1 59 59 ALA HB2 H 1 1.201 . . 1 . 624 . . 59 ALA HB2 . 26618 1 613 . 1 1 59 59 ALA HB3 H 1 1.201 . . 1 . 624 . . 59 ALA HB3 . 26618 1 614 . 1 1 59 59 ALA C C 13 178.131 . . 1 . 222 . . 59 ALA C . 26618 1 615 . 1 1 59 59 ALA CA C 13 55.381 . . 1 . 350 . . 59 ALA CA . 26618 1 616 . 1 1 59 59 ALA CB C 13 16.368 . . 1 . 351 . . 59 ALA CB . 26618 1 617 . 1 1 59 59 ALA N N 15 122.586 . . 1 . 48 . . 59 ALA N . 26618 1 618 . 1 1 60 60 ALA H H 1 7.718 . . 1 . 79 . . 60 ALA H . 26618 1 619 . 1 1 60 60 ALA HA H 1 4.064 . . 1 . 538 . . 60 ALA HA . 26618 1 620 . 1 1 60 60 ALA HB1 H 1 1.438 . . 1 . 625 . . 60 ALA HB1 . 26618 1 621 . 1 1 60 60 ALA HB2 H 1 1.438 . . 1 . 625 . . 60 ALA HB2 . 26618 1 622 . 1 1 60 60 ALA HB3 H 1 1.438 . . 1 . 625 . . 60 ALA HB3 . 26618 1 623 . 1 1 60 60 ALA C C 13 182.406 . . 1 . 241 . . 60 ALA C . 26618 1 624 . 1 1 60 60 ALA CA C 13 55.207 . . 1 . 383 . . 60 ALA CA . 26618 1 625 . 1 1 60 60 ALA CB C 13 17.576 . . 1 . 382 . . 60 ALA CB . 26618 1 626 . 1 1 60 60 ALA N N 15 120.960 . . 1 . 80 . . 60 ALA N . 26618 1 627 . 1 1 61 61 ASP H H 1 8.965 . . 1 . 57 . . 61 ASP H . 26618 1 628 . 1 1 61 61 ASP HA H 1 4.310 . . 1 . 526 . . 61 ASP HA . 26618 1 629 . 1 1 61 61 ASP HB2 H 1 2.748 . . 2 . 627 . . 61 ASP HB2 . 26618 1 630 . 1 1 61 61 ASP HB3 H 1 2.635 . . 2 . 626 . . 61 ASP HB3 . 26618 1 631 . 1 1 61 61 ASP C C 13 177.776 . . 1 . 227 . . 61 ASP C . 26618 1 632 . 1 1 61 61 ASP CA C 13 57.138 . . 1 . 360 . . 61 ASP CA . 26618 1 633 . 1 1 61 61 ASP CB C 13 40.029 . . 1 . 361 . . 61 ASP CB . 26618 1 634 . 1 1 61 61 ASP N N 15 121.718 . . 1 . 58 . . 61 ASP N . 26618 1 635 . 1 1 62 62 ALA H H 1 7.576 . . 1 . 75 . . 62 ALA H . 26618 1 636 . 1 1 62 62 ALA HA H 1 4.297 . . 1 . 536 . . 62 ALA HA . 26618 1 637 . 1 1 62 62 ALA HB1 H 1 1.405 . . 1 . 628 . . 62 ALA HB1 . 26618 1 638 . 1 1 62 62 ALA HB2 H 1 1.405 . . 1 . 628 . . 62 ALA HB2 . 26618 1 639 . 1 1 62 62 ALA HB3 H 1 1.405 . . 1 . 628 . . 62 ALA HB3 . 26618 1 640 . 1 1 62 62 ALA C C 13 177.135 . . 1 . 235 . . 62 ALA C . 26618 1 641 . 1 1 62 62 ALA CA C 13 52.140 . . 1 . 378 . . 62 ALA CA . 26618 1 642 . 1 1 62 62 ALA CB C 13 17.525 . . 1 . 379 . . 62 ALA CB . 26618 1 643 . 1 1 62 62 ALA N N 15 119.932 . . 1 . 76 . . 62 ALA N . 26618 1 644 . 1 1 63 63 GLY H H 1 8.020 . . 1 . 159 . . 63 GLY H . 26618 1 645 . 1 1 63 63 GLY HA2 H 1 3.907 . . 2 . 585 . . 63 GLY HA2 . 26618 1 646 . 1 1 63 63 GLY HA3 H 1 3.723 . . 2 . 584 . . 63 GLY HA3 . 26618 1 647 . 1 1 63 63 GLY C C 13 174.503 . . 1 . 277 . . 63 GLY C . 26618 1 648 . 1 1 63 63 GLY CA C 13 45.143 . . 1 . 457 . . 63 GLY CA . 26618 1 649 . 1 1 63 63 GLY N N 15 106.485 . . 1 . 160 . . 63 GLY N . 26618 1 650 . 1 1 64 64 ALA H H 1 7.547 . . 1 . 77 . . 64 ALA H . 26618 1 651 . 1 1 64 64 ALA HA H 1 3.666 . . 1 . 537 . . 64 ALA HA . 26618 1 652 . 1 1 64 64 ALA HB1 H 1 1.053 . . 1 . 629 . . 64 ALA HB1 . 26618 1 653 . 1 1 64 64 ALA HB2 H 1 1.053 . . 1 . 629 . . 64 ALA HB2 . 26618 1 654 . 1 1 64 64 ALA HB3 H 1 1.053 . . 1 . 629 . . 64 ALA HB3 . 26618 1 655 . 1 1 64 64 ALA C C 13 176.652 . . 1 . 240 . . 64 ALA C . 26618 1 656 . 1 1 64 64 ALA CA C 13 53.010 . . 1 . 380 . . 64 ALA CA . 26618 1 657 . 1 1 64 64 ALA CB C 13 19.291 . . 1 . 381 . . 64 ALA CB . 26618 1 658 . 1 1 64 64 ALA N N 15 119.073 . . 1 . 78 . . 64 ALA N . 26618 1 659 . 1 1 65 65 GLU H H 1 8.840 . . 1 . 119 . . 65 GLU H . 26618 1 660 . 1 1 65 65 GLU HA H 1 4.475 . . 1 . 561 . . 65 GLU HA . 26618 1 661 . 1 1 65 65 GLU HB2 H 1 2.268 . . 2 . 714 . . 65 GLU HB2 . 26618 1 662 . 1 1 65 65 GLU HB3 H 1 1.986 . . 2 . 713 . . 65 GLU HB3 . 26618 1 663 . 1 1 65 65 GLU HG2 H 1 2.387 . . 2 . 726 . . 65 GLU HG2 . 26618 1 664 . 1 1 65 65 GLU HG3 H 1 2.295 . . 2 . 725 . . 65 GLU HG3 . 26618 1 665 . 1 1 65 65 GLU C C 13 176.408 . . 1 . 299 . . 65 GLU C . 26618 1 666 . 1 1 65 65 GLU CA C 13 56.230 . . 1 . 422 . . 65 GLU CA . 26618 1 667 . 1 1 65 65 GLU CB C 13 32.126 . . 1 . 423 . . 65 GLU CB . 26618 1 668 . 1 1 65 65 GLU CG C 13 38.006 . . 1 . 630 . . 65 GLU CG . 26618 1 669 . 1 1 65 65 GLU N N 15 117.780 . . 1 . 120 . . 65 GLU N . 26618 1 670 . 1 1 66 66 ALA H H 1 7.678 . . 1 . 81 . . 66 ALA H . 26618 1 671 . 1 1 66 66 ALA HA H 1 5.388 . . 1 . 539 . . 66 ALA HA . 26618 1 672 . 1 1 66 66 ALA HB1 H 1 1.220 . . 1 . 631 . . 66 ALA HB1 . 26618 1 673 . 1 1 66 66 ALA HB2 H 1 1.220 . . 1 . 631 . . 66 ALA HB2 . 26618 1 674 . 1 1 66 66 ALA HB3 H 1 1.220 . . 1 . 631 . . 66 ALA HB3 . 26618 1 675 . 1 1 66 66 ALA C C 13 175.007 . . 1 . 242 . . 66 ALA C . 26618 1 676 . 1 1 66 66 ALA CA C 13 50.621 . . 1 . 385 . . 66 ALA CA . 26618 1 677 . 1 1 66 66 ALA CB C 13 22.400 . . 1 . 384 . . 66 ALA CB . 26618 1 678 . 1 1 66 66 ALA N N 15 119.904 . . 1 . 82 . . 66 ALA N . 26618 1 679 . 1 1 67 67 VAL H H 1 8.863 . . 1 . 61 . . 67 VAL H . 26618 1 680 . 1 1 67 67 VAL HA H 1 4.879 . . 1 . 529 . . 67 VAL HA . 26618 1 681 . 1 1 67 67 VAL HB H 1 1.481 . . 1 . 644 . . 67 VAL HB . 26618 1 682 . 1 1 67 67 VAL C C 13 173.573 . . 1 . 238 . . 67 VAL C . 26618 1 683 . 1 1 67 67 VAL CA C 13 59.353 . . 1 . 364 . . 67 VAL CA . 26618 1 684 . 1 1 67 67 VAL CB C 13 35.465 . . 1 . 365 . . 67 VAL CB . 26618 1 685 . 1 1 67 67 VAL CG1 C 13 21.204 . . 2 . 645 . . 67 VAL CG1 . 26618 1 686 . 1 1 67 67 VAL CG2 C 13 20.790 . . 2 . 904 . . 67 VAL CG2 . 26618 1 687 . 1 1 67 67 VAL N N 15 120.166 . . 1 . 62 . . 67 VAL N . 26618 1 688 . 1 1 68 68 ILE H H 1 8.950 . . 1 . 19 . . 68 ILE H . 26618 1 689 . 1 1 68 68 ILE HA H 1 5.158 . . 1 . 507 . . 68 ILE HA . 26618 1 690 . 1 1 68 68 ILE HB H 1 1.542 . . 1 . 632 . . 68 ILE HB . 26618 1 691 . 1 1 68 68 ILE HG21 H 1 0.705 . . 1 . 638 . . 68 ILE HG21 . 26618 1 692 . 1 1 68 68 ILE HG22 H 1 0.705 . . 1 . 638 . . 68 ILE HG22 . 26618 1 693 . 1 1 68 68 ILE HG23 H 1 0.705 . . 1 . 638 . . 68 ILE HG23 . 26618 1 694 . 1 1 68 68 ILE HD11 H 1 0.236 . . 1 . 637 . . 68 ILE HD11 . 26618 1 695 . 1 1 68 68 ILE HD12 H 1 0.236 . . 1 . 637 . . 68 ILE HD12 . 26618 1 696 . 1 1 68 68 ILE HD13 H 1 0.236 . . 1 . 637 . . 68 ILE HD13 . 26618 1 697 . 1 1 68 68 ILE C C 13 174.071 . . 1 . 207 . . 68 ILE C . 26618 1 698 . 1 1 68 68 ILE CA C 13 59.983 . . 1 . 322 . . 68 ILE CA . 26618 1 699 . 1 1 68 68 ILE CB C 13 38.900 . . 1 . 323 . . 68 ILE CB . 26618 1 700 . 1 1 68 68 ILE CG1 C 13 26.621 . . 1 . 633 . . 68 ILE CG1 . 26618 1 701 . 1 1 68 68 ILE CG2 C 13 18.672 . . 1 . 634 . . 68 ILE CG2 . 26618 1 702 . 1 1 68 68 ILE CD1 C 13 13.753 . . 1 . 635 . . 68 ILE CD1 . 26618 1 703 . 1 1 68 68 ILE N N 15 125.582 . . 1 . 20 . . 68 ILE N . 26618 1 704 . 1 1 69 69 THR H H 1 8.309 . . 1 . 107 . . 69 THR H . 26618 1 705 . 1 1 69 69 THR HA H 1 4.554 . . 1 . 553 . . 69 THR HA . 26618 1 706 . 1 1 69 69 THR HB H 1 4.051 . . 1 . 716 . . 69 THR HB . 26618 1 707 . 1 1 69 69 THR HG21 H 1 0.686 . . 1 . 717 . . 69 THR HG21 . 26618 1 708 . 1 1 69 69 THR HG22 H 1 0.686 . . 1 . 717 . . 69 THR HG22 . 26618 1 709 . 1 1 69 69 THR HG23 H 1 0.686 . . 1 . 717 . . 69 THR HG23 . 26618 1 710 . 1 1 69 69 THR C C 13 172.055 . . 1 . 253 . . 69 THR C . 26618 1 711 . 1 1 69 69 THR CA C 13 59.327 . . 1 . 411 . . 69 THR CA . 26618 1 712 . 1 1 69 69 THR CB C 13 68.268 . . 1 . 410 . . 69 THR CB . 26618 1 713 . 1 1 69 69 THR CG2 C 13 17.467 . . 1 . 715 . . 69 THR CG2 . 26618 1 714 . 1 1 69 69 THR N N 15 120.577 . . 1 . 108 . . 69 THR N . 26618 1 715 . 1 1 70 70 GLY H H 1 8.363 . . 1 . 151 . . 70 GLY H . 26618 1 716 . 1 1 70 70 GLY HA3 H 1 3.832 . . 2 . 580 . . 70 GLY HA3 . 26618 1 717 . 1 1 70 70 GLY C C 13 173.712 . . 1 . 273 . . 70 GLY C . 26618 1 718 . 1 1 70 70 GLY CA C 13 46.632 . . 1 . 452 . . 70 GLY CA . 26618 1 719 . 1 1 70 70 GLY N N 15 109.218 . . 1 . 152 . . 70 GLY N . 26618 1 720 . 1 1 71 71 HIS H H 1 8.133 . . 1 . 197 . . 71 HIS H . 26618 1 721 . 1 1 71 71 HIS HA H 1 5.172 . . 1 . 856 . . 71 HIS HA . 26618 1 722 . 1 1 71 71 HIS HB2 H 1 2.834 . . 2 . 1085 . . 71 HIS HB2 . 26618 1 723 . 1 1 71 71 HIS HB3 H 1 2.780 . . 2 . 1084 . . 71 HIS HB3 . 26618 1 724 . 1 1 71 71 HIS HD2 H 1 6.728 . . 1 . 1086 . . 71 HIS HD2 . 26618 1 725 . 1 1 71 71 HIS HE1 H 1 7.593 . . 1 . 1151 . . 71 HIS HE1 . 26618 1 726 . 1 1 71 71 HIS C C 13 173.543 . . 1 . 296 . . 71 HIS C . 26618 1 727 . 1 1 71 71 HIS CA C 13 59.726 . . 1 . 491 . . 71 HIS CA . 26618 1 728 . 1 1 71 71 HIS CB C 13 32.961 . . 1 . 492 . . 71 HIS CB . 26618 1 729 . 1 1 71 71 HIS CD2 C 13 119.869 . . 1 . 1087 . . 71 HIS CD2 . 26618 1 730 . 1 1 71 71 HIS CE1 C 13 138.184 . . 1 . 1152 . . 71 HIS CE1 . 26618 1 731 . 1 1 71 71 HIS N N 15 120.010 . . 1 . 198 . . 71 HIS N . 26618 1 732 . 1 1 72 72 VAL HA H 1 4.339 . . 1 . 983 . . 72 VAL HA . 26618 1 733 . 1 1 72 72 VAL HB H 1 1.578 . . 1 . 984 . . 72 VAL HB . 26618 1 734 . 1 1 72 72 VAL HG11 H 1 0.604 . . 2 . 985 . . 72 VAL HG11 . 26618 1 735 . 1 1 72 72 VAL HG12 H 1 0.604 . . 2 . 985 . . 72 VAL HG12 . 26618 1 736 . 1 1 72 72 VAL HG13 H 1 0.604 . . 2 . 985 . . 72 VAL HG13 . 26618 1 737 . 1 1 72 72 VAL HG21 H 1 0.520 . . 2 . 1004 . . 72 VAL HG21 . 26618 1 738 . 1 1 72 72 VAL HG22 H 1 0.520 . . 2 . 1004 . . 72 VAL HG22 . 26618 1 739 . 1 1 72 72 VAL HG23 H 1 0.520 . . 2 . 1004 . . 72 VAL HG23 . 26618 1 740 . 1 1 72 72 VAL C C 13 174.006 . . 1 . 980 . . 72 VAL C . 26618 1 741 . 1 1 72 72 VAL CA C 13 60.760 . . 1 . 981 . . 72 VAL CA . 26618 1 742 . 1 1 72 72 VAL CB C 13 34.561 . . 1 . 982 . . 72 VAL CB . 26618 1 743 . 1 1 72 72 VAL CG1 C 13 21.656 . . 1 . 1002 . . 72 VAL CG1 . 26618 1 744 . 1 1 72 72 VAL CG2 C 13 21.656 . . 1 . 1003 . . 72 VAL CG2 . 26618 1 745 . 1 1 73 73 GLY H H 1 8.867 . . 1 . 131 . . 73 GLY H . 26618 1 746 . 1 1 73 73 GLY HA2 H 1 3.864 . . 2 . 567 . . 73 GLY HA2 . 26618 1 747 . 1 1 73 73 GLY HA3 H 1 4.265 . . 2 . 568 . . 73 GLY HA3 . 26618 1 748 . 1 1 73 73 GLY C C 13 172.122 . . 1 . 263 . . 73 GLY C . 26618 1 749 . 1 1 73 73 GLY CA C 13 44.435 . . 1 . 434 . . 73 GLY CA . 26618 1 750 . 1 1 73 73 GLY N N 15 114.005 . . 1 . 132 . . 73 GLY N . 26618 1 751 . 1 1 74 74 PRO HA H 1 5.169 . . 1 . 1147 . . 74 PRO HA . 26618 1 752 . 1 1 74 74 PRO HD2 H 1 2.715 . . 2 . 1148 . . 74 PRO HD2 . 26618 1 753 . 1 1 74 74 PRO HD3 H 1 2.490 . . 2 . 1146 . . 74 PRO HD3 . 26618 1 754 . 1 1 74 74 PRO CA C 13 62.652 . . 1 . 1142 . . 74 PRO CA . 26618 1 755 . 1 1 74 74 PRO CB C 13 31.514 . . 1 . 1144 . . 74 PRO CB . 26618 1 756 . 1 1 74 74 PRO CG C 13 26.624 . . 1 . 1145 . . 74 PRO CG . 26618 1 757 . 1 1 74 74 PRO CD C 13 50.643 . . 1 . 1143 . . 74 PRO CD . 26618 1 758 . 1 1 75 75 LYS HA H 1 4.053 . . 1 . 989 . . 75 LYS HA . 26618 1 759 . 1 1 75 75 LYS HG2 H 1 1.512 . . 2 . 1014 . . 75 LYS HG2 . 26618 1 760 . 1 1 75 75 LYS HG3 H 1 1.355 . . 2 . 993 . . 75 LYS HG3 . 26618 1 761 . 1 1 75 75 LYS C C 13 179.847 . . 1 . 986 . . 75 LYS C . 26618 1 762 . 1 1 75 75 LYS CA C 13 59.387 . . 1 . 987 . . 75 LYS CA . 26618 1 763 . 1 1 75 75 LYS CB C 13 31.514 . . 1 . 988 . . 75 LYS CB . 26618 1 764 . 1 1 75 75 LYS CG C 13 25.657 . . 1 . 1006 . . 75 LYS CG . 26618 1 765 . 1 1 75 75 LYS CD C 13 29.018 . . 1 . 1005 . . 75 LYS CD . 26618 1 766 . 1 1 75 75 LYS CE C 13 42.010 . . 1 . 1007 . . 75 LYS CE . 26618 1 767 . 1 1 76 76 ALA H H 1 8.232 . . 1 . 43 . . 76 ALA H . 26618 1 768 . 1 1 76 76 ALA HA H 1 3.808 . . 1 . 519 . . 76 ALA HA . 26618 1 769 . 1 1 76 76 ALA HB1 H 1 1.434 . . 1 . 812 . . 76 ALA HB1 . 26618 1 770 . 1 1 76 76 ALA HB2 H 1 1.434 . . 1 . 812 . . 76 ALA HB2 . 26618 1 771 . 1 1 76 76 ALA HB3 H 1 1.434 . . 1 . 812 . . 76 ALA HB3 . 26618 1 772 . 1 1 76 76 ALA C C 13 178.304 . . 1 . 220 . . 76 ALA C . 26618 1 773 . 1 1 76 76 ALA CA C 13 54.949 . . 1 . 346 . . 76 ALA CA . 26618 1 774 . 1 1 76 76 ALA CB C 13 18.644 . . 1 . 347 . . 76 ALA CB . 26618 1 775 . 1 1 76 76 ALA N N 15 123.209 . . 1 . 44 . . 76 ALA N . 26618 1 776 . 1 1 77 77 PHE H H 1 8.679 . . 1 . 117 . . 77 PHE H . 26618 1 777 . 1 1 77 77 PHE HA H 1 3.620 . . 1 . 560 . . 77 PHE HA . 26618 1 778 . 1 1 77 77 PHE HB2 H 1 3.007 . . 2 . 814 . . 77 PHE HB2 . 26618 1 779 . 1 1 77 77 PHE HB3 H 1 2.874 . . 2 . 813 . . 77 PHE HB3 . 26618 1 780 . 1 1 77 77 PHE HD1 H 1 6.868 . . 3 . 947 . . 77 PHE HD1 . 26618 1 781 . 1 1 77 77 PHE HD2 H 1 6.868 . . 3 . 947 . . 77 PHE HD2 . 26618 1 782 . 1 1 77 77 PHE C C 13 177.545 . . 1 . 258 . . 77 PHE C . 26618 1 783 . 1 1 77 77 PHE CA C 13 62.349 . . 1 . 420 . . 77 PHE CA . 26618 1 784 . 1 1 77 77 PHE CB C 13 39.267 . . 1 . 421 . . 77 PHE CB . 26618 1 785 . 1 1 77 77 PHE N N 15 118.346 . . 1 . 118 . . 77 PHE N . 26618 1 786 . 1 1 78 78 THR H H 1 8.116 . . 1 . 147 . . 78 THR H . 26618 1 787 . 1 1 78 78 THR HA H 1 3.723 . . 1 . 577 . . 78 THR HA . 26618 1 788 . 1 1 78 78 THR HB H 1 4.125 . . 1 . 817 . . 78 THR HB . 26618 1 789 . 1 1 78 78 THR HG21 H 1 1.171 . . 1 . 816 . . 78 THR HG21 . 26618 1 790 . 1 1 78 78 THR HG22 H 1 1.171 . . 1 . 816 . . 78 THR HG22 . 26618 1 791 . 1 1 78 78 THR HG23 H 1 1.171 . . 1 . 816 . . 78 THR HG23 . 26618 1 792 . 1 1 78 78 THR C C 13 175.792 . . 1 . 271 . . 78 THR C . 26618 1 793 . 1 1 78 78 THR CA C 13 66.934 . . 1 . 449 . . 78 THR CA . 26618 1 794 . 1 1 78 78 THR CB C 13 68.804 . . 1 . 448 . . 78 THR CB . 26618 1 795 . 1 1 78 78 THR CG2 C 13 21.331 . . 1 . 815 . . 78 THR CG2 . 26618 1 796 . 1 1 78 78 THR N N 15 114.816 . . 1 . 148 . . 78 THR N . 26618 1 797 . 1 1 79 79 ALA H H 1 7.352 . . 1 . 31 . . 79 ALA H . 26618 1 798 . 1 1 79 79 ALA HA H 1 3.905 . . 1 . 513 . . 79 ALA HA . 26618 1 799 . 1 1 79 79 ALA HB1 H 1 1.345 . . 1 . 842 . . 79 ALA HB1 . 26618 1 800 . 1 1 79 79 ALA HB2 H 1 1.345 . . 1 . 842 . . 79 ALA HB2 . 26618 1 801 . 1 1 79 79 ALA HB3 H 1 1.345 . . 1 . 842 . . 79 ALA HB3 . 26618 1 802 . 1 1 79 79 ALA C C 13 180.521 . . 1 . 214 . . 79 ALA C . 26618 1 803 . 1 1 79 79 ALA CA C 13 55.473 . . 1 . 334 . . 79 ALA CA . 26618 1 804 . 1 1 79 79 ALA CB C 13 18.007 . . 1 . 335 . . 79 ALA CB . 26618 1 805 . 1 1 79 79 ALA N N 15 123.447 . . 1 . 32 . . 79 ALA N . 26618 1 806 . 1 1 80 80 LEU H H 1 8.210 . . 1 . 193 . . 80 LEU H . 26618 1 807 . 1 1 80 80 LEU HA H 1 3.788 . . 1 . 551 . . 80 LEU HA . 26618 1 808 . 1 1 80 80 LEU HB2 H 1 1.460 . . 2 . 843 . . 80 LEU HB2 . 26618 1 809 . 1 1 80 80 LEU HB3 H 1 1.113 . . 2 . 844 . . 80 LEU HB3 . 26618 1 810 . 1 1 80 80 LEU HG H 1 0.637 . . 1 . 845 . . 80 LEU HG . 26618 1 811 . 1 1 80 80 LEU C C 13 178.504 . . 1 . 292 . . 80 LEU C . 26618 1 812 . 1 1 80 80 LEU CA C 13 57.926 . . 1 . 488 . . 80 LEU CA . 26618 1 813 . 1 1 80 80 LEU CB C 13 40.390 . . 1 . 487 . . 80 LEU CB . 26618 1 814 . 1 1 80 80 LEU CG C 13 23.326 . . 1 . 857 . . 80 LEU CG . 26618 1 815 . 1 1 80 80 LEU CD1 C 13 25.672 . . 1 . 858 . . 80 LEU CD1 . 26618 1 816 . 1 1 80 80 LEU CD2 C 13 25.672 . . 1 . 859 . . 80 LEU CD2 . 26618 1 817 . 1 1 80 80 LEU N N 15 120.110 . . 1 . 194 . . 80 LEU N . 26618 1 818 . 1 1 81 81 ASN H H 1 8.388 . . 1 . 111 . . 81 ASN H . 26618 1 819 . 1 1 81 81 ASN HA H 1 4.057 . . 1 . 555 . . 81 ASN HA . 26618 1 820 . 1 1 81 81 ASN HB2 H 1 2.375 . . 2 . 1127 . . 81 ASN HB2 . 26618 1 821 . 1 1 81 81 ASN HB3 H 1 2.330 . . 2 . 1103 . . 81 ASN HB3 . 26618 1 822 . 1 1 81 81 ASN HD21 H 1 7.324 . . 1 . 926 . . 81 ASN HD21 . 26618 1 823 . 1 1 81 81 ASN HD22 H 1 6.293 . . 1 . 927 . . 81 ASN HD22 . 26618 1 824 . 1 1 81 81 ASN C C 13 179.860 . . 1 . 255 . . 81 ASN C . 26618 1 825 . 1 1 81 81 ASN CA C 13 56.878 . . 1 . 414 . . 81 ASN CA . 26618 1 826 . 1 1 81 81 ASN CB C 13 38.834 . . 1 . 415 . . 81 ASN CB . 26618 1 827 . 1 1 81 81 ASN CG C 13 175.693 . . 1 . 912 . . 81 ASN CG . 26618 1 828 . 1 1 81 81 ASN N N 15 117.938 . . 1 . 112 . . 81 ASN N . 26618 1 829 . 1 1 81 81 ASN ND2 N 15 111.348 . . 1 . 930 . . 81 ASN ND2 . 26618 1 830 . 1 1 82 82 ARG H H 1 8.301 . . 1 . 105 . . 82 ARG H . 26618 1 831 . 1 1 82 82 ARG HA H 1 3.852 . . 1 . 552 . . 82 ARG HA . 26618 1 832 . 1 1 82 82 ARG HG2 H 1 1.691 . . 2 . 642 . . 82 ARG HG2 . 26618 1 833 . 1 1 82 82 ARG HG3 H 1 1.558 . . 2 . 1069 . . 82 ARG HG3 . 26618 1 834 . 1 1 82 82 ARG C C 13 177.214 . . 1 . 252 . . 82 ARG C . 26618 1 835 . 1 1 82 82 ARG CA C 13 58.837 . . 1 . 408 . . 82 ARG CA . 26618 1 836 . 1 1 82 82 ARG CB C 13 29.465 . . 1 . 409 . . 82 ARG CB . 26618 1 837 . 1 1 82 82 ARG CG C 13 27.291 . . 1 . 639 . . 82 ARG CG . 26618 1 838 . 1 1 82 82 ARG CD C 13 43.230 . . 1 . 640 . . 82 ARG CD . 26618 1 839 . 1 1 82 82 ARG N N 15 120.999 . . 1 . 106 . . 82 ARG N . 26618 1 840 . 1 1 83 83 GLY H H 1 7.240 . . 1 . 167 . . 83 GLY H . 26618 1 841 . 1 1 83 83 GLY HA2 H 1 4.103 . . 2 . 590 . . 83 GLY HA2 . 26618 1 842 . 1 1 83 83 GLY HA3 H 1 3.362 . . 2 . 591 . . 83 GLY HA3 . 26618 1 843 . 1 1 83 83 GLY C C 13 172.960 . . 1 . 281 . . 83 GLY C . 26618 1 844 . 1 1 83 83 GLY CA C 13 44.698 . . 1 . 463 . . 83 GLY CA . 26618 1 845 . 1 1 83 83 GLY N N 15 105.004 . . 1 . 168 . . 83 GLY N . 26618 1 846 . 1 1 84 84 HIS H H 1 7.626 . . 1 . 137 . . 84 HIS H . 26618 1 847 . 1 1 84 84 HIS HA H 1 4.085 . . 1 . 571 . . 84 HIS HA . 26618 1 848 . 1 1 84 84 HIS HB2 H 1 3.355 . . 2 . 649 . . 84 HIS HB2 . 26618 1 849 . 1 1 84 84 HIS HB3 H 1 3.285 . . 2 . 648 . . 84 HIS HB3 . 26618 1 850 . 1 1 84 84 HIS HD2 H 1 6.992 . . 1 . 938 . . 84 HIS HD2 . 26618 1 851 . 1 1 84 84 HIS HE1 H 1 8.043 . . 1 . 936 . . 84 HIS HE1 . 26618 1 852 . 1 1 84 84 HIS C C 13 173.806 . . 1 . 266 . . 84 HIS C . 26618 1 853 . 1 1 84 84 HIS CA C 13 56.473 . . 1 . 439 . . 84 HIS CA . 26618 1 854 . 1 1 84 84 HIS CB C 13 26.408 . . 1 . 440 . . 84 HIS CB . 26618 1 855 . 1 1 84 84 HIS CD2 C 13 120.068 . . 1 . 1022 . . 84 HIS CD2 . 26618 1 856 . 1 1 84 84 HIS CE1 C 13 136.999 . . 1 . 1023 . . 84 HIS CE1 . 26618 1 857 . 1 1 84 84 HIS N N 15 114.124 . . 1 . 138 . . 84 HIS N . 26618 1 858 . 1 1 84 84 HIS ND1 N 15 195.545 . . 1 . 939 . . 84 HIS ND1 . 26618 1 859 . 1 1 84 84 HIS NE2 N 15 181.771 . . 1 . 937 . . 84 HIS NE2 . 26618 1 860 . 1 1 85 85 ILE H H 1 7.884 . . 1 . 95 . . 85 ILE H . 26618 1 861 . 1 1 85 85 ILE HA H 1 3.821 . . 1 . 546 . . 85 ILE HA . 26618 1 862 . 1 1 85 85 ILE HB H 1 1.402 . . 1 . 653 . . 85 ILE HB . 26618 1 863 . 1 1 85 85 ILE HG21 H 1 0.359 . . 1 . 654 . . 85 ILE HG21 . 26618 1 864 . 1 1 85 85 ILE HG22 H 1 0.359 . . 1 . 654 . . 85 ILE HG22 . 26618 1 865 . 1 1 85 85 ILE HG23 H 1 0.359 . . 1 . 654 . . 85 ILE HG23 . 26618 1 866 . 1 1 85 85 ILE HD11 H 1 0.601 . . 1 . 655 . . 85 ILE HD11 . 26618 1 867 . 1 1 85 85 ILE HD12 H 1 0.601 . . 1 . 655 . . 85 ILE HD12 . 26618 1 868 . 1 1 85 85 ILE HD13 H 1 0.601 . . 1 . 655 . . 85 ILE HD13 . 26618 1 869 . 1 1 85 85 ILE C C 13 174.734 . . 1 . 249 . . 85 ILE C . 26618 1 870 . 1 1 85 85 ILE CA C 13 61.267 . . 1 . 398 . . 85 ILE CA . 26618 1 871 . 1 1 85 85 ILE CB C 13 37.719 . . 1 . 399 . . 85 ILE CB . 26618 1 872 . 1 1 85 85 ILE CG1 C 13 26.961 . . 1 . 650 . . 85 ILE CG1 . 26618 1 873 . 1 1 85 85 ILE CG2 C 13 17.217 . . 1 . 651 . . 85 ILE CG2 . 26618 1 874 . 1 1 85 85 ILE CD1 C 13 13.428 . . 1 . 652 . . 85 ILE CD1 . 26618 1 875 . 1 1 85 85 ILE N N 15 121.099 . . 1 . 96 . . 85 ILE N . 26618 1 876 . 1 1 86 86 ALA H H 1 7.410 . . 1 . 13 . . 86 ALA H . 26618 1 877 . 1 1 86 86 ALA HA H 1 4.063 . . 1 . 504 . . 86 ALA HA . 26618 1 878 . 1 1 86 86 ALA HB1 H 1 1.381 . . 1 . 656 . . 86 ALA HB1 . 26618 1 879 . 1 1 86 86 ALA HB2 H 1 1.381 . . 1 . 656 . . 86 ALA HB2 . 26618 1 880 . 1 1 86 86 ALA HB3 H 1 1.381 . . 1 . 656 . . 86 ALA HB3 . 26618 1 881 . 1 1 86 86 ALA C C 13 175.472 . . 1 . 199 . . 86 ALA C . 26618 1 882 . 1 1 86 86 ALA CA C 13 52.053 . . 1 . 316 . . 86 ALA CA . 26618 1 883 . 1 1 86 86 ALA CB C 13 20.728 . . 1 . 317 . . 86 ALA CB . 26618 1 884 . 1 1 86 86 ALA N N 15 129.949 . . 1 . 14 . . 86 ALA N . 26618 1 885 . 1 1 87 87 VAL H H 1 8.426 . . 1 . 67 . . 87 VAL H . 26618 1 886 . 1 1 87 87 VAL HA H 1 4.343 . . 1 . 532 . . 87 VAL HA . 26618 1 887 . 1 1 87 87 VAL HB H 1 1.677 . . 1 . 647 . . 87 VAL HB . 26618 1 888 . 1 1 87 87 VAL C C 13 173.168 . . 1 . 231 . . 87 VAL C . 26618 1 889 . 1 1 87 87 VAL CA C 13 61.260 . . 1 . 370 . . 87 VAL CA . 26618 1 890 . 1 1 87 87 VAL CB C 13 33.713 . . 1 . 371 . . 87 VAL CB . 26618 1 891 . 1 1 87 87 VAL CG1 C 13 22.186 . . 2 . 646 . . 87 VAL CG1 . 26618 1 892 . 1 1 87 87 VAL CG2 C 13 21.565 . . 2 . 906 . . 87 VAL CG2 . 26618 1 893 . 1 1 87 87 VAL N N 15 120.891 . . 1 . 68 . . 87 VAL N . 26618 1 894 . 1 1 88 88 TYR H H 1 9.109 . . 1 . 5 . . 88 TYR H . 26618 1 895 . 1 1 88 88 TYR HA H 1 4.508 . . 1 . 500 . . 88 TYR HA . 26618 1 896 . 1 1 88 88 TYR HB2 H 1 2.909 . . 2 . 657 . . 88 TYR HB2 . 26618 1 897 . 1 1 88 88 TYR HB3 H 1 2.584 . . 2 . 719 . . 88 TYR HB3 . 26618 1 898 . 1 1 88 88 TYR C C 13 173.709 . . 1 . 202 . . 88 TYR C . 26618 1 899 . 1 1 88 88 TYR CA C 13 56.819 . . 1 . 308 . . 88 TYR CA . 26618 1 900 . 1 1 88 88 TYR CB C 13 40.343 . . 1 . 309 . . 88 TYR CB . 26618 1 901 . 1 1 88 88 TYR N N 15 126.682 . . 1 . 6 . . 88 TYR N . 26618 1 902 . 1 1 89 89 LEU H H 1 8.556 . . 1 . 55 . . 89 LEU H . 26618 1 903 . 1 1 89 89 LEU HA H 1 5.185 . . 1 . 525 . . 89 LEU HA . 26618 1 904 . 1 1 89 89 LEU HB2 H 1 1.674 . . 2 . 660 . . 89 LEU HB2 . 26618 1 905 . 1 1 89 89 LEU HB3 H 1 1.298 . . 2 . 718 . . 89 LEU HB3 . 26618 1 906 . 1 1 89 89 LEU HG H 1 0.806 . . 1 . 662 . . 89 LEU HG . 26618 1 907 . 1 1 89 89 LEU C C 13 177.909 . . 1 . 226 . . 89 LEU C . 26618 1 908 . 1 1 89 89 LEU CA C 13 52.630 . . 1 . 359 . . 89 LEU CA . 26618 1 909 . 1 1 89 89 LEU CB C 13 41.117 . . 1 . 358 . . 89 LEU CB . 26618 1 910 . 1 1 89 89 LEU CG C 13 25.012 . . 1 . 658 . . 89 LEU CG . 26618 1 911 . 1 1 89 89 LEU CD1 C 13 22.306 . . 1 . 659 . . 89 LEU CD1 . 26618 1 912 . 1 1 89 89 LEU CD2 C 13 22.306 . . 1 . 724 . . 89 LEU CD2 . 26618 1 913 . 1 1 89 89 LEU N N 15 121.270 . . 1 . 56 . . 89 LEU N . 26618 1 914 . 1 1 90 90 CYS H H 1 8.920 . . 1 . 125 . . 90 CYS H . 26618 1 915 . 1 1 90 90 CYS HA H 1 4.790 . . 1 . 563 . . 90 CYS HA . 26618 1 916 . 1 1 90 90 CYS HB2 H 1 2.776 . . 2 . 1060 . . 90 CYS HB2 . 26618 1 917 . 1 1 90 90 CYS HB3 H 1 2.627 . . 2 . 663 . . 90 CYS HB3 . 26618 1 918 . 1 1 90 90 CYS C C 13 171.625 . . 1 . 260 . . 90 CYS C . 26618 1 919 . 1 1 90 90 CYS CA C 13 57.160 . . 1 . 428 . . 90 CYS CA . 26618 1 920 . 1 1 90 90 CYS CB C 13 31.316 . . 1 . 429 . . 90 CYS CB . 26618 1 921 . 1 1 90 90 CYS N N 15 119.113 . . 1 . 126 . . 90 CYS N . 26618 1 922 . 1 1 91 91 ASP H H 1 8.363 . . 1 . 300 . . 91 ASP H . 26618 1 923 . 1 1 91 91 ASP HA H 1 4.826 . . 1 . 598 . . 91 ASP HA . 26618 1 924 . 1 1 91 91 ASP C C 13 175.694 . . 1 . 302 . . 91 ASP C . 26618 1 925 . 1 1 91 91 ASP CA C 13 52.547 . . 1 . 496 . . 91 ASP CA . 26618 1 926 . 1 1 91 91 ASP CB C 13 41.102 . . 1 . 495 . . 91 ASP CB . 26618 1 927 . 1 1 91 91 ASP N N 15 122.515 . . 1 . 301 . . 91 ASP N . 26618 1 928 . 1 1 92 92 LEU H H 1 6.952 . . 1 . 133 . . 92 LEU H . 26618 1 929 . 1 1 92 92 LEU HA H 1 4.360 . . 1 . 569 . . 92 LEU HA . 26618 1 930 . 1 1 92 92 LEU HG H 1 0.732 . . 1 . 667 . . 92 LEU HG . 26618 1 931 . 1 1 92 92 LEU C C 13 176.586 . . 1 . 264 . . 92 LEU C . 26618 1 932 . 1 1 92 92 LEU CA C 13 54.697 . . 1 . 435 . . 92 LEU CA . 26618 1 933 . 1 1 92 92 LEU CB C 13 41.988 . . 1 . 436 . . 92 LEU CB . 26618 1 934 . 1 1 92 92 LEU CG C 13 26.095 . . 1 . 665 . . 92 LEU CG . 26618 1 935 . 1 1 92 92 LEU CD1 C 13 21.981 . . 1 . 666 . . 92 LEU CD1 . 26618 1 936 . 1 1 92 92 LEU CD2 C 13 21.981 . . 1 . 723 . . 92 LEU CD2 . 26618 1 937 . 1 1 92 92 LEU N N 15 119.327 . . 1 . 134 . . 92 LEU N . 26618 1 938 . 1 1 93 93 ALA H H 1 8.358 . . 1 . 183 . . 93 ALA H . 26618 1 939 . 1 1 93 93 ALA HA H 1 4.109 . . 1 . 556 . . 93 ALA HA . 26618 1 940 . 1 1 93 93 ALA HB1 H 1 1.539 . . 1 . 669 . . 93 ALA HB1 . 26618 1 941 . 1 1 93 93 ALA HB2 H 1 1.539 . . 1 . 669 . . 93 ALA HB2 . 26618 1 942 . 1 1 93 93 ALA HB3 H 1 1.539 . . 1 . 669 . . 93 ALA HB3 . 26618 1 943 . 1 1 93 93 ALA C C 13 180.025 . . 1 . 288 . . 93 ALA C . 26618 1 944 . 1 1 93 93 ALA CA C 13 55.742 . . 1 . 477 . . 93 ALA CA . 26618 1 945 . 1 1 93 93 ALA CB C 13 20.473 . . 1 . 478 . . 93 ALA CB . 26618 1 946 . 1 1 93 93 ALA N N 15 117.842 . . 1 . 184 . . 93 ALA N . 26618 1 947 . 1 1 94 94 THR H H 1 7.044 . . 1 . 171 . . 94 THR H . 26618 1 948 . 1 1 94 94 THR HA H 1 5.281 . . 1 . 593 . . 94 THR HA . 26618 1 949 . 1 1 94 94 THR HB H 1 4.672 . . 1 . 1128 . . 94 THR HB . 26618 1 950 . 1 1 94 94 THR HG21 H 1 1.037 . . 1 . 671 . . 94 THR HG21 . 26618 1 951 . 1 1 94 94 THR HG22 H 1 1.037 . . 1 . 671 . . 94 THR HG22 . 26618 1 952 . 1 1 94 94 THR HG23 H 1 1.037 . . 1 . 671 . . 94 THR HG23 . 26618 1 953 . 1 1 94 94 THR C C 13 173.312 . . 1 . 283 . . 94 THR C . 26618 1 954 . 1 1 94 94 THR CA C 13 58.205 . . 1 . 466 . . 94 THR CA . 26618 1 955 . 1 1 94 94 THR CB C 13 72.122 . . 1 . 465 . . 94 THR CB . 26618 1 956 . 1 1 94 94 THR CG2 C 13 21.682 . . 1 . 670 . . 94 THR CG2 . 26618 1 957 . 1 1 94 94 THR N N 15 103.612 . . 1 . 172 . . 94 THR N . 26618 1 958 . 1 1 95 95 PRO HA H 1 4.134 . . 1 . 882 . . 95 PRO HA . 26618 1 959 . 1 1 95 95 PRO HB2 H 1 2.229 . . 2 . 888 . . 95 PRO HB2 . 26618 1 960 . 1 1 95 95 PRO HB3 H 1 1.906 . . 2 . 887 . . 95 PRO HB3 . 26618 1 961 . 1 1 95 95 PRO HG2 H 1 2.020 . . 2 . 891 . . 95 PRO HG2 . 26618 1 962 . 1 1 95 95 PRO HG3 H 1 1.926 . . 2 . 890 . . 95 PRO HG3 . 26618 1 963 . 1 1 95 95 PRO C C 13 176.387 . . 1 . 883 . . 95 PRO C . 26618 1 964 . 1 1 95 95 PRO CA C 13 65.686 . . 1 . 884 . . 95 PRO CA . 26618 1 965 . 1 1 95 95 PRO CB C 13 32.045 . . 1 . 885 . . 95 PRO CB . 26618 1 966 . 1 1 95 95 PRO CG C 13 27.629 . . 1 . 886 . . 95 PRO CG . 26618 1 967 . 1 1 95 95 PRO CD C 13 49.563 . . 1 . 889 . . 95 PRO CD . 26618 1 968 . 1 1 96 96 ARG H H 1 8.542 . . 1 . 129 . . 96 ARG H . 26618 1 969 . 1 1 96 96 ARG HA H 1 3.526 . . 1 . 566 . . 96 ARG HA . 26618 1 970 . 1 1 96 96 ARG HB2 H 1 1.704 . . 2 . 838 . . 96 ARG HB2 . 26618 1 971 . 1 1 96 96 ARG HB3 H 1 1.601 . . 2 . 837 . . 96 ARG HB3 . 26618 1 972 . 1 1 96 96 ARG HE H 1 8.863 . . 1 . 1090 . . 96 ARG HE . 26618 1 973 . 1 1 96 96 ARG C C 13 178.702 . . 1 . 262 . . 96 ARG C . 26618 1 974 . 1 1 96 96 ARG CA C 13 60.745 . . 1 . 432 . . 96 ARG CA . 26618 1 975 . 1 1 96 96 ARG CB C 13 30.186 . . 1 . 433 . . 96 ARG CB . 26618 1 976 . 1 1 96 96 ARG CG C 13 27.286 . . 1 . 835 . . 96 ARG CG . 26618 1 977 . 1 1 96 96 ARG CD C 13 42.429 . . 1 . 834 . . 96 ARG CD . 26618 1 978 . 1 1 96 96 ARG N N 15 116.403 . . 1 . 130 . . 96 ARG N . 26618 1 979 . 1 1 96 96 ARG NE N 15 82.600 . . 1 . 1091 . . 96 ARG NE . 26618 1 980 . 1 1 97 97 GLU H H 1 7.708 . . 1 . 89 . . 97 GLU H . 26618 1 981 . 1 1 97 97 GLU HA H 1 3.975 . . 1 . 543 . . 97 GLU HA . 26618 1 982 . 1 1 97 97 GLU HB2 H 1 2.137 . . 2 . 1129 . . 97 GLU HB2 . 26618 1 983 . 1 1 97 97 GLU HB3 H 1 2.031 . . 2 . 1130 . . 97 GLU HB3 . 26618 1 984 . 1 1 97 97 GLU C C 13 179.284 . . 1 . 246 . . 97 GLU C . 26618 1 985 . 1 1 97 97 GLU CA C 13 58.815 . . 1 . 392 . . 97 GLU CA . 26618 1 986 . 1 1 97 97 GLU CB C 13 31.362 . . 1 . 393 . . 97 GLU CB . 26618 1 987 . 1 1 97 97 GLU CG C 13 37.138 . . 1 . 840 . . 97 GLU CG . 26618 1 988 . 1 1 97 97 GLU N N 15 118.011 . . 1 . 90 . . 97 GLU N . 26618 1 989 . 1 1 98 98 ALA H H 1 8.051 . . 1 . 41 . . 98 ALA H . 26618 1 990 . 1 1 98 98 ALA HA H 1 3.981 . . 1 . 518 . . 98 ALA HA . 26618 1 991 . 1 1 98 98 ALA HB1 H 1 1.310 . . 1 . 672 . . 98 ALA HB1 . 26618 1 992 . 1 1 98 98 ALA HB2 H 1 1.310 . . 1 . 672 . . 98 ALA HB2 . 26618 1 993 . 1 1 98 98 ALA HB3 H 1 1.310 . . 1 . 672 . . 98 ALA HB3 . 26618 1 994 . 1 1 98 98 ALA C C 13 177.733 . . 1 . 219 . . 98 ALA C . 26618 1 995 . 1 1 98 98 ALA CA C 13 55.011 . . 1 . 344 . . 98 ALA CA . 26618 1 996 . 1 1 98 98 ALA CB C 13 19.155 . . 1 . 345 . . 98 ALA CB . 26618 1 997 . 1 1 98 98 ALA N N 15 123.157 . . 1 . 42 . . 98 ALA N . 26618 1 998 . 1 1 99 99 LEU H H 1 8.871 . . 1 . 123 . . 99 LEU H . 26618 1 999 . 1 1 99 99 LEU HA H 1 3.743 . . 1 . 564 . . 99 LEU HA . 26618 1 1000 . 1 1 99 99 LEU HB2 H 1 1.802 . . 2 . 678 . . 99 LEU HB2 . 26618 1 1001 . 1 1 99 99 LEU HB3 H 1 1.284 . . 2 . 677 . . 99 LEU HB3 . 26618 1 1002 . 1 1 99 99 LEU HG H 1 1.536 . . 1 . 676 . . 99 LEU HG . 26618 1 1003 . 1 1 99 99 LEU HD11 H 1 0.751 . . 2 . 1083 . . 99 LEU HD11 . 26618 1 1004 . 1 1 99 99 LEU HD12 H 1 0.751 . . 2 . 1083 . . 99 LEU HD12 . 26618 1 1005 . 1 1 99 99 LEU HD13 H 1 0.751 . . 2 . 1083 . . 99 LEU HD13 . 26618 1 1006 . 1 1 99 99 LEU HD21 H 1 0.717 . . 2 . 1068 . . 99 LEU HD21 . 26618 1 1007 . 1 1 99 99 LEU HD22 H 1 0.717 . . 2 . 1068 . . 99 LEU HD22 . 26618 1 1008 . 1 1 99 99 LEU HD23 H 1 0.717 . . 2 . 1068 . . 99 LEU HD23 . 26618 1 1009 . 1 1 99 99 LEU C C 13 177.825 . . 1 . 303 . . 99 LEU C . 26618 1 1010 . 1 1 99 99 LEU CA C 13 57.746 . . 1 . 426 . . 99 LEU CA . 26618 1 1011 . 1 1 99 99 LEU CB C 13 41.775 . . 1 . 427 . . 99 LEU CB . 26618 1 1012 . 1 1 99 99 LEU CG C 13 26.154 . . 1 . 673 . . 99 LEU CG . 26618 1 1013 . 1 1 99 99 LEU CD1 C 13 25.400 . . 2 . 674 . . 99 LEU CD1 . 26618 1 1014 . 1 1 99 99 LEU CD2 C 13 22.915 . . 2 . 675 . . 99 LEU CD2 . 26618 1 1015 . 1 1 99 99 LEU N N 15 119.108 . . 1 . 124 . . 99 LEU N . 26618 1 1016 . 1 1 100 100 ALA H H 1 7.378 . . 1 . 73 . . 100 ALA H . 26618 1 1017 . 1 1 100 100 ALA HA H 1 3.995 . . 1 . 535 . . 100 ALA HA . 26618 1 1018 . 1 1 100 100 ALA HB1 H 1 1.366 . . 1 . 679 . . 100 ALA HB1 . 26618 1 1019 . 1 1 100 100 ALA HB2 H 1 1.366 . . 1 . 679 . . 100 ALA HB2 . 26618 1 1020 . 1 1 100 100 ALA HB3 H 1 1.366 . . 1 . 679 . . 100 ALA HB3 . 26618 1 1021 . 1 1 100 100 ALA C C 13 179.562 . . 1 . 234 . . 100 ALA C . 26618 1 1022 . 1 1 100 100 ALA CA C 13 55.039 . . 1 . 376 . . 100 ALA CA . 26618 1 1023 . 1 1 100 100 ALA CB C 13 17.612 . . 1 . 377 . . 100 ALA CB . 26618 1 1024 . 1 1 100 100 ALA N N 15 119.273 . . 1 . 74 . . 100 ALA N . 26618 1 1025 . 1 1 101 101 ALA H H 1 7.728 . . 1 . 83 . . 101 ALA H . 26618 1 1026 . 1 1 101 101 ALA HA H 1 3.931 . . 1 . 540 . . 101 ALA HA . 26618 1 1027 . 1 1 101 101 ALA HB1 H 1 1.306 . . 1 . 680 . . 101 ALA HB1 . 26618 1 1028 . 1 1 101 101 ALA HB2 H 1 1.306 . . 1 . 680 . . 101 ALA HB2 . 26618 1 1029 . 1 1 101 101 ALA HB3 H 1 1.306 . . 1 . 680 . . 101 ALA HB3 . 26618 1 1030 . 1 1 101 101 ALA C C 13 179.185 . . 1 . 243 . . 101 ALA C . 26618 1 1031 . 1 1 101 101 ALA CA C 13 55.245 . . 1 . 387 . . 101 ALA CA . 26618 1 1032 . 1 1 101 101 ALA CB C 13 17.886 . . 1 . 386 . . 101 ALA CB . 26618 1 1033 . 1 1 101 101 ALA N N 15 119.058 . . 1 . 84 . . 101 ALA N . 26618 1 1034 . 1 1 102 102 PHE H H 1 8.473 . . 1 . 113 . . 102 PHE H . 26618 1 1035 . 1 1 102 102 PHE HA H 1 3.927 . . 1 . 557 . . 102 PHE HA . 26618 1 1036 . 1 1 102 102 PHE HB2 H 1 3.134 . . 2 . 681 . . 102 PHE HB2 . 26618 1 1037 . 1 1 102 102 PHE HB3 H 1 2.857 . . 2 . 933 . . 102 PHE HB3 . 26618 1 1038 . 1 1 102 102 PHE HD1 H 1 6.444 . . 3 . 949 . . 102 PHE HD1 . 26618 1 1039 . 1 1 102 102 PHE HD2 H 1 6.444 . . 3 . 949 . . 102 PHE HD2 . 26618 1 1040 . 1 1 102 102 PHE C C 13 180.094 . . 1 . 256 . . 102 PHE C . 26618 1 1041 . 1 1 102 102 PHE CA C 13 61.165 . . 1 . 416 . . 102 PHE CA . 26618 1 1042 . 1 1 102 102 PHE CB C 13 39.106 . . 1 . 417 . . 102 PHE CB . 26618 1 1043 . 1 1 102 102 PHE N N 15 118.981 . . 1 . 114 . . 102 PHE N . 26618 1 1044 . 1 1 103 103 ILE H H 1 8.617 . . 1 . 51 . . 103 ILE H . 26618 1 1045 . 1 1 103 103 ILE HA H 1 3.486 . . 1 . 523 . . 103 ILE HA . 26618 1 1046 . 1 1 103 103 ILE HB H 1 1.962 . . 1 . 686 . . 103 ILE HB . 26618 1 1047 . 1 1 103 103 ILE HG12 H 1 1.749 . . 2 . 689 . . 103 ILE HG12 . 26618 1 1048 . 1 1 103 103 ILE HG13 H 1 1.313 . . 2 . 688 . . 103 ILE HG13 . 26618 1 1049 . 1 1 103 103 ILE HG21 H 1 0.893 . . 1 . 687 . . 103 ILE HG21 . 26618 1 1050 . 1 1 103 103 ILE HG22 H 1 0.893 . . 1 . 687 . . 103 ILE HG22 . 26618 1 1051 . 1 1 103 103 ILE HG23 H 1 0.893 . . 1 . 687 . . 103 ILE HG23 . 26618 1 1052 . 1 1 103 103 ILE HD11 H 1 0.829 . . 1 . 685 . . 103 ILE HD11 . 26618 1 1053 . 1 1 103 103 ILE HD12 H 1 0.829 . . 1 . 685 . . 103 ILE HD12 . 26618 1 1054 . 1 1 103 103 ILE HD13 H 1 0.829 . . 1 . 685 . . 103 ILE HD13 . 26618 1 1055 . 1 1 103 103 ILE C C 13 177.975 . . 1 . 224 . . 103 ILE C . 26618 1 1056 . 1 1 103 103 ILE CA C 13 64.581 . . 1 . 354 . . 103 ILE CA . 26618 1 1057 . 1 1 103 103 ILE CB C 13 37.756 . . 1 . 355 . . 103 ILE CB . 26618 1 1058 . 1 1 103 103 ILE CG1 C 13 28.910 . . 1 . 682 . . 103 ILE CG1 . 26618 1 1059 . 1 1 103 103 ILE CG2 C 13 17.001 . . 1 . 683 . . 103 ILE CG2 . 26618 1 1060 . 1 1 103 103 ILE CD1 C 13 12.778 . . 1 . 684 . . 103 ILE CD1 . 26618 1 1061 . 1 1 103 103 ILE N N 15 122.324 . . 1 . 52 . . 103 ILE N . 26618 1 1062 . 1 1 104 104 GLU H H 1 7.849 . . 1 . 91 . . 104 GLU H . 26618 1 1063 . 1 1 104 104 GLU HA H 1 4.075 . . 1 . 544 . . 104 GLU HA . 26618 1 1064 . 1 1 104 104 GLU HG2 H 1 2.413 . . 2 . 691 . . 104 GLU HG2 . 26618 1 1065 . 1 1 104 104 GLU HG3 H 1 2.199 . . 2 . 706 . . 104 GLU HG3 . 26618 1 1066 . 1 1 104 104 GLU C C 13 176.652 . . 1 . 247 . . 104 GLU C . 26618 1 1067 . 1 1 104 104 GLU CA C 13 56.842 . . 1 . 394 . . 104 GLU CA . 26618 1 1068 . 1 1 104 104 GLU CB C 13 30.234 . . 1 . 395 . . 104 GLU CB . 26618 1 1069 . 1 1 104 104 GLU CG C 13 36.796 . . 1 . 690 . . 104 GLU CG . 26618 1 1070 . 1 1 104 104 GLU N N 15 117.511 . . 1 . 92 . . 104 GLU N . 26618 1 1071 . 1 1 105 105 GLY H H 1 7.570 . . 1 . 161 . . 105 GLY H . 26618 1 1072 . 1 1 105 105 GLY HA2 H 1 3.904 . . 2 . 587 . . 105 GLY HA2 . 26618 1 1073 . 1 1 105 105 GLY HA3 H 1 3.783 . . 2 . 586 . . 105 GLY HA3 . 26618 1 1074 . 1 1 105 105 GLY C C 13 176.021 . . 1 . 278 . . 105 GLY C . 26618 1 1075 . 1 1 105 105 GLY CA C 13 46.261 . . 1 . 458 . . 105 GLY CA . 26618 1 1076 . 1 1 105 105 GLY N N 15 107.689 . . 1 . 162 . . 105 GLY N . 26618 1 1077 . 1 1 106 106 LYS H H 1 8.048 . . 1 . 141 . . 106 LYS H . 26618 1 1078 . 1 1 106 106 LYS HA H 1 4.126 . . 1 . 574 . . 106 LYS HA . 26618 1 1079 . 1 1 106 106 LYS HB2 H 1 1.961 . . 2 . 934 . . 106 LYS HB2 . 26618 1 1080 . 1 1 106 106 LYS HB3 H 1 1.555 . . 2 . 693 . . 106 LYS HB3 . 26618 1 1081 . 1 1 106 106 LYS HG2 H 1 1.321 . . 2 . 1131 . . 106 LYS HG2 . 26618 1 1082 . 1 1 106 106 LYS HG3 H 1 1.281 . . 2 . 1132 . . 106 LYS HG3 . 26618 1 1083 . 1 1 106 106 LYS C C 13 176.652 . . 1 . 268 . . 106 LYS C . 26618 1 1084 . 1 1 106 106 LYS CA C 13 56.655 . . 1 . 442 . . 106 LYS CA . 26618 1 1085 . 1 1 106 106 LYS CB C 13 33.503 . . 1 . 443 . . 106 LYS CB . 26618 1 1086 . 1 1 106 106 LYS CG C 13 25.593 . . 1 . 694 . . 106 LYS CG . 26618 1 1087 . 1 1 106 106 LYS CD C 13 28.854 . . 1 . 695 . . 106 LYS CD . 26618 1 1088 . 1 1 106 106 LYS CE C 13 42.203 . . 1 . 692 . . 106 LYS CE . 26618 1 1089 . 1 1 106 106 LYS N N 15 116.563 . . 1 . 142 . . 106 LYS N . 26618 1 1090 . 1 1 107 107 LEU H H 1 7.949 . . 1 . 93 . . 107 LEU H . 26618 1 1091 . 1 1 107 107 LEU HA H 1 4.753 . . 1 . 545 . . 107 LEU HA . 26618 1 1092 . 1 1 107 107 LEU HB2 H 1 1.775 . . 2 . 698 . . 107 LEU HB2 . 26618 1 1093 . 1 1 107 107 LEU HB3 H 1 1.699 . . 2 . 699 . . 107 LEU HB3 . 26618 1 1094 . 1 1 107 107 LEU HG H 1 0.872 . . 1 . 720 . . 107 LEU HG . 26618 1 1095 . 1 1 107 107 LEU C C 13 175.795 . . 1 . 248 . . 107 LEU C . 26618 1 1096 . 1 1 107 107 LEU CA C 13 53.538 . . 1 . 396 . . 107 LEU CA . 26618 1 1097 . 1 1 107 107 LEU CB C 13 43.276 . . 1 . 397 . . 107 LEU CB . 26618 1 1098 . 1 1 107 107 LEU CG C 13 26.420 . . 1 . 696 . . 107 LEU CG . 26618 1 1099 . 1 1 107 107 LEU CD1 C 13 21.981 . . 1 . 697 . . 107 LEU CD1 . 26618 1 1100 . 1 1 107 107 LEU CD2 C 13 21.981 . . 1 . 721 . . 107 LEU CD2 . 26618 1 1101 . 1 1 107 107 LEU N N 15 117.712 . . 1 . 94 . . 107 LEU N . 26618 1 1102 . 1 1 108 108 ARG H H 1 8.555 . . 1 . 53 . . 108 ARG H . 26618 1 1103 . 1 1 108 108 ARG HA H 1 4.891 . . 1 . 524 . . 108 ARG HA . 26618 1 1104 . 1 1 108 108 ARG HB2 H 1 1.772 . . 2 . 703 . . 108 ARG HB2 . 26618 1 1105 . 1 1 108 108 ARG HB3 H 1 1.674 . . 2 . 702 . . 108 ARG HB3 . 26618 1 1106 . 1 1 108 108 ARG C C 13 173.279 . . 1 . 225 . . 108 ARG C . 26618 1 1107 . 1 1 108 108 ARG CA C 13 52.714 . . 1 . 356 . . 108 ARG CA . 26618 1 1108 . 1 1 108 108 ARG CB C 13 31.171 . . 1 . 357 . . 108 ARG CB . 26618 1 1109 . 1 1 108 108 ARG CG C 13 26.745 . . 1 . 701 . . 108 ARG CG . 26618 1 1110 . 1 1 108 108 ARG CD C 13 43.093 . . 1 . 700 . . 108 ARG CD . 26618 1 1111 . 1 1 108 108 ARG N N 15 121.973 . . 1 . 54 . . 108 ARG N . 26618 1 1112 . 1 1 109 109 PRO HA H 1 3.862 . . 1 . 892 . . 109 PRO HA . 26618 1 1113 . 1 1 109 109 PRO HB2 H 1 1.623 . . 2 . 894 . . 109 PRO HB2 . 26618 1 1114 . 1 1 109 109 PRO HB3 H 1 1.471 . . 2 . 893 . . 109 PRO HB3 . 26618 1 1115 . 1 1 109 109 PRO HG2 H 1 1.923 . . 2 . 903 . . 109 PRO HG2 . 26618 1 1116 . 1 1 109 109 PRO HG3 H 1 1.805 . . 2 . 902 . . 109 PRO HG3 . 26618 1 1117 . 1 1 109 109 PRO HD2 H 1 3.747 . . 2 . 901 . . 109 PRO HD2 . 26618 1 1118 . 1 1 109 109 PRO HD3 H 1 3.550 . . 2 . 900 . . 109 PRO HD3 . 26618 1 1119 . 1 1 109 109 PRO C C 13 176.784 . . 1 . 895 . . 109 PRO C . 26618 1 1120 . 1 1 109 109 PRO CA C 13 61.906 . . 1 . 896 . . 109 PRO CA . 26618 1 1121 . 1 1 109 109 PRO CB C 13 31.262 . . 1 . 897 . . 109 PRO CB . 26618 1 1122 . 1 1 109 109 PRO CG C 13 26.636 . . 1 . 899 . . 109 PRO CG . 26618 1 1123 . 1 1 109 109 PRO CD C 13 50.239 . . 1 . 898 . . 109 PRO CD . 26618 1 1124 . 1 1 110 110 ALA H H 1 8.901 . . 1 . 17 . . 110 ALA H . 26618 1 1125 . 1 1 110 110 ALA HA H 1 4.215 . . 1 . 506 . . 110 ALA HA . 26618 1 1126 . 1 1 110 110 ALA HB1 H 1 1.228 . . 1 . 786 . . 110 ALA HB1 . 26618 1 1127 . 1 1 110 110 ALA HB2 H 1 1.228 . . 1 . 786 . . 110 ALA HB2 . 26618 1 1128 . 1 1 110 110 ALA HB3 H 1 1.228 . . 1 . 786 . . 110 ALA HB3 . 26618 1 1129 . 1 1 110 110 ALA C C 13 177.214 . . 1 . 206 . . 110 ALA C . 26618 1 1130 . 1 1 110 110 ALA CA C 13 52.024 . . 1 . 321 . . 110 ALA CA . 26618 1 1131 . 1 1 110 110 ALA CB C 13 18.889 . . 1 . 320 . . 110 ALA CB . 26618 1 1132 . 1 1 110 110 ALA N N 15 125.616 . . 1 . 18 . . 110 ALA N . 26618 1 1133 . 1 1 111 111 ASP H H 1 8.494 . . 1 . 69 . . 111 ASP H . 26618 1 1134 . 1 1 111 111 ASP HA H 1 4.628 . . 1 . 533 . . 111 ASP HA . 26618 1 1135 . 1 1 111 111 ASP C C 13 175.954 . . 1 . 232 . . 111 ASP C . 26618 1 1136 . 1 1 111 111 ASP CA C 13 53.959 . . 1 . 372 . . 111 ASP CA . 26618 1 1137 . 1 1 111 111 ASP CB C 13 41.886 . . 1 . 373 . . 111 ASP CB . 26618 1 1138 . 1 1 111 111 ASP N N 15 120.231 . . 1 . 70 . . 111 ASP N . 26618 1 1139 . 1 1 112 112 THR H H 1 7.588 . . 1 . 175 . . 112 THR H . 26618 1 1140 . 1 1 112 112 THR HA H 1 3.756 . . 1 . 595 . . 112 THR HA . 26618 1 1141 . 1 1 112 112 THR HB H 1 3.948 . . 1 . 789 . . 112 THR HB . 26618 1 1142 . 1 1 112 112 THR HG21 H 1 0.940 . . 1 . 790 . . 112 THR HG21 . 26618 1 1143 . 1 1 112 112 THR HG22 H 1 0.940 . . 1 . 790 . . 112 THR HG22 . 26618 1 1144 . 1 1 112 112 THR HG23 H 1 0.940 . . 1 . 790 . . 112 THR HG23 . 26618 1 1145 . 1 1 112 112 THR C C 13 173.147 . . 1 . 285 . . 112 THR C . 26618 1 1146 . 1 1 112 112 THR CA C 13 61.248 . . 1 . 470 . . 112 THR CA . 26618 1 1147 . 1 1 112 112 THR CB C 13 69.938 . . 1 . 469 . . 112 THR CB . 26618 1 1148 . 1 1 112 112 THR CG2 C 13 20.840 . . 1 . 788 . . 112 THR CG2 . 26618 1 1149 . 1 1 112 112 THR N N 15 112.431 . . 1 . 176 . . 112 THR N . 26618 1 1150 . 1 1 113 113 ALA H H 1 7.823 . . 1 . 35 . . 113 ALA H . 26618 1 1151 . 1 1 113 113 ALA HA H 1 3.846 . . 1 . 515 . . 113 ALA HA . 26618 1 1152 . 1 1 113 113 ALA HB1 H 1 1.112 . . 1 . 791 . . 113 ALA HB1 . 26618 1 1153 . 1 1 113 113 ALA HB2 H 1 1.112 . . 1 . 791 . . 113 ALA HB2 . 26618 1 1154 . 1 1 113 113 ALA HB3 H 1 1.112 . . 1 . 791 . . 113 ALA HB3 . 26618 1 1155 . 1 1 113 113 ALA C C 13 177.214 . . 1 . 216 . . 113 ALA C . 26618 1 1156 . 1 1 113 113 ALA CA C 13 52.301 . . 1 . 338 . . 113 ALA CA . 26618 1 1157 . 1 1 113 113 ALA CB C 13 19.113 . . 1 . 339 . . 113 ALA CB . 26618 1 1158 . 1 1 113 113 ALA N N 15 124.083 . . 1 . 36 . . 113 ALA N . 26618 1 1159 . 1 1 114 114 ASP H H 1 8.079 . . 1 . 115 . . 114 ASP H . 26618 1 1160 . 1 1 114 114 ASP HA H 1 4.460 . . 1 . 559 . . 114 ASP HA . 26618 1 1161 . 1 1 114 114 ASP C C 13 176.255 . . 1 . 257 . . 114 ASP C . 26618 1 1162 . 1 1 114 114 ASP CA C 13 54.228 . . 1 . 418 . . 114 ASP CA . 26618 1 1163 . 1 1 114 114 ASP CB C 13 41.270 . . 1 . 419 . . 114 ASP CB . 26618 1 1164 . 1 1 114 114 ASP N N 15 118.475 . . 1 . 116 . . 114 ASP N . 26618 1 1165 . 1 1 115 115 ARG H H 1 8.035 . . 1 . 99 . . 115 ARG H . 26618 1 1166 . 1 1 115 115 ARG HA H 1 4.184 . . 1 . 548 . . 115 ARG HA . 26618 1 1167 . 1 1 115 115 ARG HB2 H 1 1.688 . . 2 . 798 . . 115 ARG HB2 . 26618 1 1168 . 1 1 115 115 ARG HB3 H 1 1.524 . . 2 . 1133 . . 115 ARG HB3 . 26618 1 1169 . 1 1 115 115 ARG HG2 H 1 1.390 . . 2 . 794 . . 115 ARG HG2 . 26618 1 1170 . 1 1 115 115 ARG HG3 H 1 1.326 . . 2 . 795 . . 115 ARG HG3 . 26618 1 1171 . 1 1 115 115 ARG HD2 H 1 2.909 . . 2 . 797 . . 115 ARG HD2 . 26618 1 1172 . 1 1 115 115 ARG HD3 H 1 2.864 . . 2 . 796 . . 115 ARG HD3 . 26618 1 1173 . 1 1 115 115 ARG C C 13 176.181 . . 1 . 297 . . 115 ARG C . 26618 1 1174 . 1 1 115 115 ARG CA C 13 55.644 . . 1 . 402 . . 115 ARG CA . 26618 1 1175 . 1 1 115 115 ARG CB C 13 30.919 . . 1 . 403 . . 115 ARG CB . 26618 1 1176 . 1 1 115 115 ARG CG C 13 26.853 . . 1 . 793 . . 115 ARG CG . 26618 1 1177 . 1 1 115 115 ARG CD C 13 42.877 . . 1 . 792 . . 115 ARG CD . 26618 1 1178 . 1 1 115 115 ARG N N 15 120.594 . . 1 . 100 . . 115 ARG N . 26618 1 1179 . 1 1 116 116 GLU H H 1 8.280 . . 1 . 195 . . 116 GLU H . 26618 1 1180 . 1 1 116 116 GLU HA H 1 4.159 . . 1 . 601 . . 116 GLU HA . 26618 1 1181 . 1 1 116 116 GLU HB2 H 1 1.951 . . 2 . 803 . . 116 GLU HB2 . 26618 1 1182 . 1 1 116 116 GLU HB3 H 1 1.841 . . 2 . 802 . . 116 GLU HB3 . 26618 1 1183 . 1 1 116 116 GLU HG2 H 1 2.161 . . 2 . 800 . . 116 GLU HG2 . 26618 1 1184 . 1 1 116 116 GLU HG3 H 1 1.960 . . 2 . 801 . . 116 GLU HG3 . 26618 1 1185 . 1 1 116 116 GLU C C 13 176.753 . . 1 . 294 . . 116 GLU C . 26618 1 1186 . 1 1 116 116 GLU CA C 13 56.550 . . 1 . 490 . . 116 GLU CA . 26618 1 1187 . 1 1 116 116 GLU CB C 13 30.188 . . 1 . 489 . . 116 GLU CB . 26618 1 1188 . 1 1 116 116 GLU CG C 13 36.345 . . 1 . 799 . . 116 GLU CG . 26618 1 1189 . 1 1 116 116 GLU N N 15 120.117 . . 1 . 196 . . 116 GLU N . 26618 1 1190 . 1 1 117 117 GLY H H 1 8.140 . . 1 . 153 . . 117 GLY H . 26618 1 1191 . 1 1 117 117 GLY C C 13 173.444 . . 1 . 274 . . 117 GLY C . 26618 1 1192 . 1 1 117 117 GLY CA C 13 45.118 . . 1 . 453 . . 117 GLY CA . 26618 1 1193 . 1 1 117 117 GLY N N 15 108.883 . . 1 . 154 . . 117 GLY N . 26618 1 1194 . 1 1 118 118 HIS HA H 1 4.477 . . 1 . 997 . . 118 HIS HA . 26618 1 1195 . 1 1 118 118 HIS HB2 H 1 2.925 . . 2 . 1009 . . 118 HIS HB2 . 26618 1 1196 . 1 1 118 118 HIS HB3 H 1 2.795 . . 2 . 1008 . . 118 HIS HB3 . 26618 1 1197 . 1 1 118 118 HIS C C 13 174.139 . . 1 . 994 . . 118 HIS C . 26618 1 1198 . 1 1 118 118 HIS CA C 13 56.033 . . 1 . 995 . . 118 HIS CA . 26618 1 1199 . 1 1 118 118 HIS CB C 13 30.770 . . 1 . 996 . . 118 HIS CB . 26618 1 1200 . 1 1 119 119 TRP H H 1 7.486 . . 1 . 15 . . 119 TRP H . 26618 1 1201 . 1 1 119 119 TRP HA H 1 4.362 . . 1 . 505 . . 119 TRP HA . 26618 1 1202 . 1 1 119 119 TRP HB2 H 1 3.193 . . 2 . 869 . . 119 TRP HB2 . 26618 1 1203 . 1 1 119 119 TRP HB3 H 1 3.081 . . 2 . 868 . . 119 TRP HB3 . 26618 1 1204 . 1 1 119 119 TRP HD1 H 1 7.056 . . 1 . 1032 . . 119 TRP HD1 . 26618 1 1205 . 1 1 119 119 TRP HE1 H 1 10.042 . . 1 . 931 . . 119 TRP HE1 . 26618 1 1206 . 1 1 119 119 TRP HE3 H 1 7.512 . . 1 . 1028 . . 119 TRP HE3 . 26618 1 1207 . 1 1 119 119 TRP HZ2 H 1 7.326 . . 1 . 1024 . . 119 TRP HZ2 . 26618 1 1208 . 1 1 119 119 TRP HZ3 H 1 6.970 . . 1 . 1026 . . 119 TRP HZ3 . 26618 1 1209 . 1 1 119 119 TRP HH2 H 1 7.044 . . 1 . 1030 . . 119 TRP HH2 . 26618 1 1210 . 1 1 119 119 TRP C C 13 180.488 . . 1 . 205 . . 119 TRP C . 26618 1 1211 . 1 1 119 119 TRP CA C 13 58.596 . . 1 . 318 . . 119 TRP CA . 26618 1 1212 . 1 1 119 119 TRP CB C 13 30.060 . . 1 . 319 . . 119 TRP CB . 26618 1 1213 . 1 1 119 119 TRP CD1 C 13 126.858 . . 1 . 1033 . . 119 TRP CD1 . 26618 1 1214 . 1 1 119 119 TRP CE3 C 13 121.526 . . 1 . 1029 . . 119 TRP CE3 . 26618 1 1215 . 1 1 119 119 TRP CZ2 C 13 114.225 . . 1 . 1025 . . 119 TRP CZ2 . 26618 1 1216 . 1 1 119 119 TRP CZ3 C 13 120.923 . . 1 . 1027 . . 119 TRP CZ3 . 26618 1 1217 . 1 1 119 119 TRP CH2 C 13 124.189 . . 1 . 1031 . . 119 TRP CH2 . 26618 1 1218 . 1 1 119 119 TRP N N 15 126.515 . . 1 . 16 . . 119 TRP N . 26618 1 1219 . 1 1 119 119 TRP NE1 N 15 128.925 . . 1 . 932 . . 119 TRP NE1 . 26618 1 stop_ save_