data_26986 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26986 _Entry.Title ; 1H, 13C and 15N Chemical shift assignments of yeast thioredoxin Saccharomyces cerevisiae in the oxidized state by solution NMR spectroscopy. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-29 _Entry.Accession_date 2016-12-29 _Entry.Last_release_date 2016-12-29 _Entry.Original_release_date 2016-12-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; 1H, 13C and 15N Chemical shift assignments of yeast thioredoxin 1 (Saccharomyces cerevisiae) in the oxidized state by solution NMR spectroscopy. ; 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 Anwar Iqbal . . . . 26986 2 'Ana Paula' Valente . Paula . . 26986 3 Fabio Almeida . C.L. . . 26986 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Center of Nuclear Magnetic Resonance Spectroscopy, UFRJ, Brazil' . 26986 2 . 'Institute of Medical Biochemistry, UFRJ, Brazil' . 26986 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26986 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 26986 '15N chemical shifts' 104 26986 '1H chemical shifts' 718 26986 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 . . 2018-02-07 2016-12-29 update BMRB 'update entry citation' 26986 1 . . 2017-08-18 2016-12-29 original author 'original release' 26986 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I9H . 26986 PDB 3F3Q . 26986 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26986 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28808882 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N chemical shift assignments of Saccharomyces cerevisiae type 1 thioredoxin in the oxidized state by solution NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 221 _Citation.Page_last 224 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anwar Iqbal . . . . 26986 1 2 Fabio Almeida . C.L. . . 26986 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR spectroscopy' 26986 1 'Oxidized Thioredoxin 1' 26986 1 'Oxido reductase' 26986 1 'yeast thiordoxin 1' 26986 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26986 _Assembly.ID 1 _Assembly.Name yTrx1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11234.98 _Assembly.Enzyme_commission_number 'not available' _Assembly.Details 'monomeric yTrx1 soluble in phosphate buffer' _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 yTrx1 1 $oxidized_yeast_thioredoxin_1 A . yes native no no . . . 26986 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . . . 26986 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2i9h . . 'solution NMR' . 'reduced state' . 26986 1 yes PDB 2n5a . . 'solution NMR' . 'reduced state' 'D24A mutant' 26986 1 yes PDB 2n5b . . 'solution NMR' . 'oxidized state' 'D24A mutant' 26986 1 yes PDB 3f3q . . X-ray 1.76 'oxidized state' . 26986 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_oxidized_yeast_thioredoxin_1 _Entity.Sf_category entity _Entity.Sf_framecode oxidized_yeast_thioredoxin_1 _Entity.Entry_ID 26986 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name oxidized_yeast_thioredoxin_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVTQFKTASEFDSAIAQDKL VVVDFYATWCGPCKMIAPMI EKFSEQYPQADFYKLDVDEL GDVAQKNEVSAMPTLLLFKN GKEVAKVVGANPAAIKQAIA ANA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1-103 full length and native state' _Entity.Polymer_author_seq_details 'Full length' _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'no mutation' _Entity.EC_number 'not available' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11234.98 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Interaction with various targets in biological systems' 26986 1 'disulfide reductase activity' 26986 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26986 1 2 . VAL . 26986 1 3 . THR . 26986 1 4 . GLN . 26986 1 5 . PHE . 26986 1 6 . LYS . 26986 1 7 . THR . 26986 1 8 . ALA . 26986 1 9 . SER . 26986 1 10 . GLU . 26986 1 11 . PHE . 26986 1 12 . ASP . 26986 1 13 . SER . 26986 1 14 . ALA . 26986 1 15 . ILE . 26986 1 16 . ALA . 26986 1 17 . GLN . 26986 1 18 . ASP . 26986 1 19 . LYS . 26986 1 20 . LEU . 26986 1 21 . VAL . 26986 1 22 . VAL . 26986 1 23 . VAL . 26986 1 24 . ASP . 26986 1 25 . PHE . 26986 1 26 . TYR . 26986 1 27 . ALA . 26986 1 28 . THR . 26986 1 29 . TRP . 26986 1 30 . CYS . 26986 1 31 . GLY . 26986 1 32 . PRO . 26986 1 33 . CYS . 26986 1 34 . LYS . 26986 1 35 . MET . 26986 1 36 . ILE . 26986 1 37 . ALA . 26986 1 38 . PRO . 26986 1 39 . MET . 26986 1 40 . ILE . 26986 1 41 . GLU . 26986 1 42 . LYS . 26986 1 43 . PHE . 26986 1 44 . SER . 26986 1 45 . GLU . 26986 1 46 . GLN . 26986 1 47 . TYR . 26986 1 48 . PRO . 26986 1 49 . GLN . 26986 1 50 . ALA . 26986 1 51 . ASP . 26986 1 52 . PHE . 26986 1 53 . TYR . 26986 1 54 . LYS . 26986 1 55 . LEU . 26986 1 56 . ASP . 26986 1 57 . VAL . 26986 1 58 . ASP . 26986 1 59 . GLU . 26986 1 60 . LEU . 26986 1 61 . GLY . 26986 1 62 . ASP . 26986 1 63 . VAL . 26986 1 64 . ALA . 26986 1 65 . GLN . 26986 1 66 . LYS . 26986 1 67 . ASN . 26986 1 68 . GLU . 26986 1 69 . VAL . 26986 1 70 . SER . 26986 1 71 . ALA . 26986 1 72 . MET . 26986 1 73 . PRO . 26986 1 74 . THR . 26986 1 75 . LEU . 26986 1 76 . LEU . 26986 1 77 . LEU . 26986 1 78 . PHE . 26986 1 79 . LYS . 26986 1 80 . ASN . 26986 1 81 . GLY . 26986 1 82 . LYS . 26986 1 83 . GLU . 26986 1 84 . VAL . 26986 1 85 . ALA . 26986 1 86 . LYS . 26986 1 87 . VAL . 26986 1 88 . VAL . 26986 1 89 . GLY . 26986 1 90 . ALA . 26986 1 91 . ASN . 26986 1 92 . PRO . 26986 1 93 . ALA . 26986 1 94 . ALA . 26986 1 95 . ILE . 26986 1 96 . LYS . 26986 1 97 . GLN . 26986 1 98 . ALA . 26986 1 99 . ILE . 26986 1 100 . ALA . 26986 1 101 . ALA . 26986 1 102 . ASN . 26986 1 103 . ALA . 26986 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 26986 1 . VAL 2 2 26986 1 . THR 3 3 26986 1 . GLN 4 4 26986 1 . PHE 5 5 26986 1 . LYS 6 6 26986 1 . THR 7 7 26986 1 . ALA 8 8 26986 1 . SER 9 9 26986 1 . GLU 10 10 26986 1 . PHE 11 11 26986 1 . ASP 12 12 26986 1 . SER 13 13 26986 1 . ALA 14 14 26986 1 . ILE 15 15 26986 1 . ALA 16 16 26986 1 . GLN 17 17 26986 1 . ASP 18 18 26986 1 . LYS 19 19 26986 1 . LEU 20 20 26986 1 . VAL 21 21 26986 1 . VAL 22 22 26986 1 . VAL 23 23 26986 1 . ASP 24 24 26986 1 . PHE 25 25 26986 1 . TYR 26 26 26986 1 . ALA 27 27 26986 1 . THR 28 28 26986 1 . TRP 29 29 26986 1 . CYS 30 30 26986 1 . GLY 31 31 26986 1 . PRO 32 32 26986 1 . CYS 33 33 26986 1 . LYS 34 34 26986 1 . MET 35 35 26986 1 . ILE 36 36 26986 1 . ALA 37 37 26986 1 . PRO 38 38 26986 1 . MET 39 39 26986 1 . ILE 40 40 26986 1 . GLU 41 41 26986 1 . LYS 42 42 26986 1 . PHE 43 43 26986 1 . SER 44 44 26986 1 . GLU 45 45 26986 1 . GLN 46 46 26986 1 . TYR 47 47 26986 1 . PRO 48 48 26986 1 . GLN 49 49 26986 1 . ALA 50 50 26986 1 . ASP 51 51 26986 1 . PHE 52 52 26986 1 . TYR 53 53 26986 1 . LYS 54 54 26986 1 . LEU 55 55 26986 1 . ASP 56 56 26986 1 . VAL 57 57 26986 1 . ASP 58 58 26986 1 . GLU 59 59 26986 1 . LEU 60 60 26986 1 . GLY 61 61 26986 1 . ASP 62 62 26986 1 . VAL 63 63 26986 1 . ALA 64 64 26986 1 . GLN 65 65 26986 1 . LYS 66 66 26986 1 . ASN 67 67 26986 1 . GLU 68 68 26986 1 . VAL 69 69 26986 1 . SER 70 70 26986 1 . ALA 71 71 26986 1 . MET 72 72 26986 1 . PRO 73 73 26986 1 . THR 74 74 26986 1 . LEU 75 75 26986 1 . LEU 76 76 26986 1 . LEU 77 77 26986 1 . PHE 78 78 26986 1 . LYS 79 79 26986 1 . ASN 80 80 26986 1 . GLY 81 81 26986 1 . LYS 82 82 26986 1 . GLU 83 83 26986 1 . VAL 84 84 26986 1 . ALA 85 85 26986 1 . LYS 86 86 26986 1 . VAL 87 87 26986 1 . VAL 88 88 26986 1 . GLY 89 89 26986 1 . ALA 90 90 26986 1 . ASN 91 91 26986 1 . PRO 92 92 26986 1 . ALA 93 93 26986 1 . ALA 94 94 26986 1 . ILE 95 95 26986 1 . LYS 96 96 26986 1 . GLN 97 97 26986 1 . ALA 98 98 26986 1 . ILE 99 99 26986 1 . ALA 100 100 26986 1 . ALA 101 101 26986 1 . ASN 102 102 26986 1 . ALA 103 103 26986 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 26986 _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 $oxidized_yeast_thioredoxin_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . TRX1 . 26986 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 26986 _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 $oxidized_yeast_thioredoxin_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . 'pET 3a' . . . 26986 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26986 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200uM of yTrx1, 20mM Sodium Phophate Buffer, pH 7.0, 288 K.' _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 'oxidized yeast thioredoxin 1' '[U-100% 13C; U-100% 15N]' . . 1 $oxidized_yeast_thioredoxin_1 . . 0.2 . . mM 0.01 . . . 26986 1 2 'Sodium Phophate Buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 26986 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26986 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.041 0.002 M 26986 1 pH 7.0 0.1 pH 26986 1 pressure 1 . atm 26986 1 temperature 288 0.1 K 26986 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26986 _Software.ID 1 _Software.Type . _Software.Name CCPNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details ; The CCPN data model for NMR spectroscopy: development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. Proteins. 2005 Jun 1;59(4):687-96 ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN ; The CCPN data model for NMR spectroscopy: development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. Proteins. 2005 Jun 1;59(4):687-96 ; http://www.ccpn.ac.uk/v2-software/software/analysis 26986 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26986 1 'data analysis' 26986 1 'peak picking' 26986 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26986 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI 15N/13C/1H triple resonance cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26986 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TXI 15N/13C/1H triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26986 _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 III' . 600 'TCI 15N/13C/1H triple resonance cryogenic probe' . . 26986 1 2 spectrometer_2 Bruker 'Avance III' . 800 'TXI 15N/13C/1H triple resonance probe' . . 26986 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 26986 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26986 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26986 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26986 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26986 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26986 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26986 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26986 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26986 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26986 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26986 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 26986 _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 'separate tube (no insert) similar to the experimental sample tube' . . . . 26986 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 26986 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 26986 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26986 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26986 1 2 '3D CBCA(CO)NH' . . . 26986 1 3 '3D HNCACB' . . . 26986 1 4 '3D HNCO' . . . 26986 1 5 '3D HBHA(CO)NH' . . . 26986 1 6 '3D HCCH-TOCSY' . . . 26986 1 7 '3D HCCH-COSY' . . . 26986 1 8 '3D 1H-15N NOESY' . . . 26986 1 9 '3D 1H-13C NOESY' . . . 26986 1 10 '3D 1H-13C NOESY aromatic' . . . 26986 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 $CCPNMR . . 26986 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.Ambiguity_set_ID _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 4.178 0.007 . 1 . . 1101 . . 1 MET HA . 26986 1 2 . 1 1 1 1 MET HB2 H 1 2.074 0.036 . 1 . . 1103 . . 1 MET HB2 . 26986 1 3 . 1 1 1 1 MET HE1 H 1 1.882 . . 1 . . 1115 . . 1 MET HE1 . 26986 1 4 . 1 1 1 1 MET HE2 H 1 1.882 . . 1 . . 1115 . . 1 MET HE2 . 26986 1 5 . 1 1 1 1 MET HE3 H 1 1.882 . . 1 . . 1115 . . 1 MET HE3 . 26986 1 6 . 1 1 1 1 MET C C 13 171.199 . . 1 . . 957 . . 1 MET C . 26986 1 7 . 1 1 1 1 MET CA C 13 54.556 0.284 . 1 . . 1054 . . 1 MET CA . 26986 1 8 . 1 1 1 1 MET CB C 13 32.729 0.051 . 1 . . 1055 . . 1 MET CB . 26986 1 9 . 1 1 1 1 MET CE C 13 18.534 . . 1 . . 1116 . . 1 MET CE . 26986 1 10 . 1 1 2 2 VAL H H 1 8.751 0.004 . 1 . . 186 . . 2 VAL H . 26986 1 11 . 1 1 2 2 VAL HA H 1 4.257 0.013 . 1 . . 640 . . 2 VAL HA . 26986 1 12 . 1 1 2 2 VAL HB H 1 1.911 0.018 . 1 . . 641 . . 2 VAL HB . 26986 1 13 . 1 1 2 2 VAL HG11 H 1 0.753 0.01 . 2 . . 899 . . 2 VAL HG11 . 26986 1 14 . 1 1 2 2 VAL HG12 H 1 0.753 0.01 . 2 . . 899 . . 2 VAL HG12 . 26986 1 15 . 1 1 2 2 VAL HG13 H 1 0.753 0.01 . 2 . . 899 . . 2 VAL HG13 . 26986 1 16 . 1 1 2 2 VAL HG21 H 1 0.823 0.187 . 2 . . 900 . . 2 VAL HG21 . 26986 1 17 . 1 1 2 2 VAL HG22 H 1 0.823 0.187 . 2 . . 900 . . 2 VAL HG22 . 26986 1 18 . 1 1 2 2 VAL HG23 H 1 0.823 0.187 . 2 . . 900 . . 2 VAL HG23 . 26986 1 19 . 1 1 2 2 VAL C C 13 175.374 . . 1 . . 959 . . 2 VAL C . 26986 1 20 . 1 1 2 2 VAL CA C 13 61.295 0.218 . 1 . . 495 . . 2 VAL CA . 26986 1 21 . 1 1 2 2 VAL CB C 13 32.780 . . 1 . . 443 . . 2 VAL CB . 26986 1 22 . 1 1 2 2 VAL CG1 C 13 20.576 . . 1 . . 1318 . . 2 VAL CG1 . 26986 1 23 . 1 1 2 2 VAL CG2 C 13 20.576 . . 1 . . 1318 . . 2 VAL CG2 . 26986 1 24 . 1 1 2 2 VAL N N 15 124.956 0.038 . 1 . . 187 . . 2 VAL N . 26986 1 25 . 1 1 3 3 THR H H 1 7.977 0.006 . 1 . . 65 . . 3 THR H . 26986 1 26 . 1 1 3 3 THR HA H 1 4.260 0.021 . 1 . . 638 . . 3 THR HA . 26986 1 27 . 1 1 3 3 THR HB H 1 3.717 0.013 . 1 . . 639 . . 3 THR HB . 26986 1 28 . 1 1 3 3 THR HG21 H 1 1.180 0.004 . 1 . . 898 . . 3 THR HG21 . 26986 1 29 . 1 1 3 3 THR HG22 H 1 1.180 0.004 . 1 . . 898 . . 3 THR HG22 . 26986 1 30 . 1 1 3 3 THR HG23 H 1 1.180 0.004 . 1 . . 898 . . 3 THR HG23 . 26986 1 31 . 1 1 3 3 THR C C 13 173.177 . . 1 . . 960 . . 3 THR C . 26986 1 32 . 1 1 3 3 THR CA C 13 62.690 0.071 . 1 . . 279 . . 3 THR CA . 26986 1 33 . 1 1 3 3 THR CB C 13 69.517 0.113 . 1 . . 280 . . 3 THR CB . 26986 1 34 . 1 1 3 3 THR CG2 C 13 21.192 . . 1 . . 1087 . . 3 THR CG2 . 26986 1 35 . 1 1 3 3 THR N N 15 125.617 0.058 . 1 . . 66 . . 3 THR N . 26986 1 36 . 1 1 4 4 GLN H H 1 9.164 0.002 . 1 . . 267 . . 4 GLN H . 26986 1 37 . 1 1 4 4 GLN HA H 1 4.978 0.044 . 1 . . 636 . . 4 GLN HA . 26986 1 38 . 1 1 4 4 GLN HB2 H 1 1.837 0.016 . 1 . . 700 . . 4 GLN HB2 . 26986 1 39 . 1 1 4 4 GLN HB3 H 1 1.837 0.016 . 1 . . 637 . . 4 GLN HB3 . 26986 1 40 . 1 1 4 4 GLN HG2 H 1 2.270 . . 1 . . 1134 . . 4 GLN HG2 . 26986 1 41 . 1 1 4 4 GLN HG3 H 1 2.413 . . 1 . . 896 . . 4 GLN HG3 . 26986 1 42 . 1 1 4 4 GLN HE21 H 1 7.822 . . 1 . . 38 . . 4 GLN HE21 . 26986 1 43 . 1 1 4 4 GLN HE22 H 1 7.484 . . 1 . . 79 . . 4 GLN HE22 . 26986 1 44 . 1 1 4 4 GLN C C 13 176.856 . . 1 . . 961 . . 4 GLN C . 26986 1 45 . 1 1 4 4 GLN CA C 13 54.693 0.042 . 1 . . 277 . . 4 GLN CA . 26986 1 46 . 1 1 4 4 GLN CB C 13 29.338 0.086 . 1 . . 278 . . 4 GLN CB . 26986 1 47 . 1 1 4 4 GLN CG C 13 33.121 . . 1 . . 1135 . . 4 GLN CG . 26986 1 48 . 1 1 4 4 GLN N N 15 127.667 0.048 . 1 . . 268 . . 4 GLN N . 26986 1 49 . 1 1 4 4 GLN NE2 N 15 113.930 0.002 . 1 . . 39 . . 4 GLN NE2 . 26986 1 50 . 1 1 5 5 PHE H H 1 8.669 0.003 . 1 . . 194 . . 5 PHE H . 26986 1 51 . 1 1 5 5 PHE HA H 1 4.902 0.001 . 1 . . 635 . . 5 PHE HA . 26986 1 52 . 1 1 5 5 PHE HB2 H 1 3.149 0.015 . 2 . . 633 . . 5 PHE HB2 . 26986 1 53 . 1 1 5 5 PHE HB3 H 1 2.718 . . 2 . . 634 . . 5 PHE HB3 . 26986 1 54 . 1 1 5 5 PHE HD1 H 1 6.986 . . 1 . . 1367 . . 5 PHE HD1 . 26986 1 55 . 1 1 5 5 PHE HD2 H 1 6.986 . . 1 . . 1367 . . 5 PHE HD2 . 26986 1 56 . 1 1 5 5 PHE HE1 H 1 7.171 . . 1 . . 1375 . . 5 PHE HE1 . 26986 1 57 . 1 1 5 5 PHE HE2 H 1 7.171 . . 1 . . 1375 . . 5 PHE HE2 . 26986 1 58 . 1 1 5 5 PHE HZ H 1 6.148 . . 1 . . 1328 . . 5 PHE HZ . 26986 1 59 . 1 1 5 5 PHE C C 13 176.240 . . 1 . . 962 . . 5 PHE C . 26986 1 60 . 1 1 5 5 PHE CA C 13 58.959 0.131 . 1 . . 274 . . 5 PHE CA . 26986 1 61 . 1 1 5 5 PHE CB C 13 40.569 0.066 . 1 . . 273 . . 5 PHE CB . 26986 1 62 . 1 1 5 5 PHE CD1 C 13 128.078 . . 1 . . 1368 . . 5 PHE CD1 . 26986 1 63 . 1 1 5 5 PHE CD2 C 13 128.078 . . 1 . . 1368 . . 5 PHE CD2 . 26986 1 64 . 1 1 5 5 PHE CE1 C 13 129.533 . . 1 . . 1376 . . 5 PHE CE1 . 26986 1 65 . 1 1 5 5 PHE CE2 C 13 129.533 . . 1 . . 1376 . . 5 PHE CE2 . 26986 1 66 . 1 1 5 5 PHE N N 15 126.302 0.047 . 1 . . 195 . . 5 PHE N . 26986 1 67 . 1 1 6 6 LYS H H 1 10.043 0.005 . 1 . . 49 . . 6 LYS H . 26986 1 68 . 1 1 6 6 LYS HA H 1 4.748 0.002 . 1 . . 631 . . 6 LYS HA . 26986 1 69 . 1 1 6 6 LYS HB2 H 1 2.119 0.049 . 1 . . 701 . . 6 LYS HB2 . 26986 1 70 . 1 1 6 6 LYS HB3 H 1 2.119 0.049 . 1 . . 632 . . 6 LYS HB3 . 26986 1 71 . 1 1 6 6 LYS HG2 H 1 1.790 . . 1 . . 1236 . . 6 LYS HG2 . 26986 1 72 . 1 1 6 6 LYS HG3 H 1 1.790 . . 1 . . 1234 . . 6 LYS HG3 . 26986 1 73 . 1 1 6 6 LYS HD2 H 1 1.847 . . 1 . . 1239 . . 6 LYS HD2 . 26986 1 74 . 1 1 6 6 LYS HD3 H 1 1.847 . . 1 . . 1237 . . 6 LYS HD3 . 26986 1 75 . 1 1 6 6 LYS HE2 H 1 2.912 0.141 . 1 . . 890 . . 6 LYS HE2 . 26986 1 76 . 1 1 6 6 LYS HE3 H 1 2.912 0.141 . 1 . . 891 . . 6 LYS HE3 . 26986 1 77 . 1 1 6 6 LYS HZ1 H 1 6.795 . . 1 . . 892 . . 6 LYS HZ1 . 26986 1 78 . 1 1 6 6 LYS HZ2 H 1 6.795 . . 1 . . 892 . . 6 LYS HZ2 . 26986 1 79 . 1 1 6 6 LYS HZ3 H 1 6.795 . . 1 . . 892 . . 6 LYS HZ3 . 26986 1 80 . 1 1 6 6 LYS C C 13 177.122 . . 1 . . 963 . . 6 LYS C . 26986 1 81 . 1 1 6 6 LYS CA C 13 56.228 0.062 . 1 . . 271 . . 6 LYS CA . 26986 1 82 . 1 1 6 6 LYS CB C 13 34.001 0.061 . 1 . . 272 . . 6 LYS CB . 26986 1 83 . 1 1 6 6 LYS CG C 13 25.090 . . 1 . . 1235 . . 6 LYS CG . 26986 1 84 . 1 1 6 6 LYS CD C 13 28.199 . . 1 . . 1238 . . 6 LYS CD . 26986 1 85 . 1 1 6 6 LYS CE C 13 41.689 . . 1 . . 1233 . . 6 LYS CE . 26986 1 86 . 1 1 6 6 LYS N N 15 119.391 0.046 . 1 . . 50 . . 6 LYS N . 26986 1 87 . 1 1 7 7 THR H H 1 7.649 0.004 . 1 . . 29 . . 7 THR H . 26986 1 88 . 1 1 7 7 THR HA H 1 4.760 0.029 . 1 . . 630 . . 7 THR HA . 26986 1 89 . 1 1 7 7 THR HB H 1 4.638 0.019 . 1 . . 904 . . 7 THR HB . 26986 1 90 . 1 1 7 7 THR HG21 H 1 1.251 0.003 . 1 . . 1088 . . 7 THR HG21 . 26986 1 91 . 1 1 7 7 THR HG22 H 1 1.251 0.003 . 1 . . 1088 . . 7 THR HG22 . 26986 1 92 . 1 1 7 7 THR HG23 H 1 1.251 0.003 . 1 . . 1088 . . 7 THR HG23 . 26986 1 93 . 1 1 7 7 THR C C 13 173.909 . . 1 . . 964 . . 7 THR C . 26986 1 94 . 1 1 7 7 THR CA C 13 59.089 0.146 . 1 . . 32 . . 7 THR CA . 26986 1 95 . 1 1 7 7 THR CB C 13 72.739 0.021 . 1 . . 285 . . 7 THR CB . 26986 1 96 . 1 1 7 7 THR CG2 C 13 21.461 . . 1 . . 1089 . . 7 THR CG2 . 26986 1 97 . 1 1 7 7 THR N N 15 107.108 0.015 . 1 . . 30 . . 7 THR N . 26986 1 98 . 1 1 8 8 ALA H H 1 9.240 0.004 . 1 . . 51 . . 8 ALA H . 26986 1 99 . 1 1 8 8 ALA HA H 1 3.824 0.002 . 1 . . 902 . . 8 ALA HA . 26986 1 100 . 1 1 8 8 ALA HB1 H 1 1.453 0.002 . 1 . . 903 . . 8 ALA HB1 . 26986 1 101 . 1 1 8 8 ALA HB2 H 1 1.453 0.002 . 1 . . 903 . . 8 ALA HB2 . 26986 1 102 . 1 1 8 8 ALA HB3 H 1 1.453 0.002 . 1 . . 903 . . 8 ALA HB3 . 26986 1 103 . 1 1 8 8 ALA C C 13 179.363 . . 1 . . 965 . . 8 ALA C . 26986 1 104 . 1 1 8 8 ALA CA C 13 54.961 0.094 . 1 . . 286 . . 8 ALA CA . 26986 1 105 . 1 1 8 8 ALA CB C 13 18.119 0.089 . 1 . . 287 . . 8 ALA CB . 26986 1 106 . 1 1 8 8 ALA N N 15 123.963 0.066 . 1 . . 52 . . 8 ALA N . 26986 1 107 . 1 1 9 9 SER H H 1 8.340 0.002 . 1 . . 486 . . 9 SER H . 26986 1 108 . 1 1 9 9 SER HA H 1 4.342 0.008 . 1 . . 628 . . 9 SER HA . 26986 1 109 . 1 1 9 9 SER HB2 H 1 4.213 0.006 . 1 . . 629 . . 9 SER HB2 . 26986 1 110 . 1 1 9 9 SER HB3 H 1 4.213 0.006 . 1 . . 702 . . 9 SER HB3 . 26986 1 111 . 1 1 9 9 SER C C 13 177.157 . . 1 . . 966 . . 9 SER C . 26986 1 112 . 1 1 9 9 SER CA C 13 61.400 0.14 . 1 . . 492 . . 9 SER CA . 26986 1 113 . 1 1 9 9 SER CB C 13 65.570 0.048 . 1 . . 1056 . . 9 SER CB . 26986 1 114 . 1 1 9 9 SER N N 15 112.417 0.032 . 1 . . 487 . . 9 SER N . 26986 1 115 . 1 1 10 10 GLU H H 1 7.779 0.005 . 1 . . 158 . . 10 GLU H . 26986 1 116 . 1 1 10 10 GLU HA H 1 4.027 0.004 . 1 . . 626 . . 10 GLU HA . 26986 1 117 . 1 1 10 10 GLU HB2 H 1 2.411 0.004 . 1 . . 703 . . 10 GLU HB2 . 26986 1 118 . 1 1 10 10 GLU HB3 H 1 2.144 . . 2 . . 1213 . . 10 GLU HB3 . 26986 1 119 . 1 1 10 10 GLU HG2 H 1 2.619 0.01 . 1 . . 888 . . 10 GLU HG2 . 26986 1 120 . 1 1 10 10 GLU HG3 H 1 2.619 0.01 . 1 . . 887 . . 10 GLU HG3 . 26986 1 121 . 1 1 10 10 GLU C C 13 178.905 . . 1 . . 967 . . 10 GLU C . 26986 1 122 . 1 1 10 10 GLU CA C 13 58.728 0.109 . 1 . . 446 . . 10 GLU CA . 26986 1 123 . 1 1 10 10 GLU CB C 13 30.814 0.347 . 1 . . 445 . . 10 GLU CB . 26986 1 124 . 1 1 10 10 GLU CG C 13 36.241 . . 1 . . 889 . . 10 GLU CG . 26986 1 125 . 1 1 10 10 GLU N N 15 122.178 0.022 . 1 . . 159 . . 10 GLU N . 26986 1 126 . 1 1 11 11 PHE H H 1 6.878 0.006 . 1 . . 249 . . 11 PHE H . 26986 1 127 . 1 1 11 11 PHE HA H 1 5.074 . . 1 . . 1151 . . 11 PHE HA . 26986 1 128 . 1 1 11 11 PHE HB2 H 1 3.047 . . 2 . . 1148 . . 11 PHE HB2 . 26986 1 129 . 1 1 11 11 PHE HB3 H 1 2.974 . . 2 . . 1289 . . 11 PHE HB3 . 26986 1 130 . 1 1 11 11 PHE HD1 H 1 6.833 . . 1 . . 1359 . . 11 PHE HD1 . 26986 1 131 . 1 1 11 11 PHE HD2 H 1 6.833 . . 1 . . 1359 . . 11 PHE HD2 . 26986 1 132 . 1 1 11 11 PHE HE1 H 1 7.057 . . 1 . . 1365 . . 11 PHE HE1 . 26986 1 133 . 1 1 11 11 PHE HE2 H 1 7.057 . . 1 . . 1365 . . 11 PHE HE2 . 26986 1 134 . 1 1 11 11 PHE C C 13 177.290 . . 1 . . 968 . . 11 PHE C . 26986 1 135 . 1 1 11 11 PHE CA C 13 60.763 0.153 . 1 . . 474 . . 11 PHE CA . 26986 1 136 . 1 1 11 11 PHE CB C 13 37.698 0.086 . 1 . . 473 . . 11 PHE CB . 26986 1 137 . 1 1 11 11 PHE CD1 C 13 133.292 . . 1 . . 1360 . . 11 PHE CD1 . 26986 1 138 . 1 1 11 11 PHE CD2 C 13 133.292 . . 1 . . 1360 . . 11 PHE CD2 . 26986 1 139 . 1 1 11 11 PHE CE1 C 13 129.821 . . 1 . . 1366 . . 11 PHE CE1 . 26986 1 140 . 1 1 11 11 PHE CE2 C 13 129.821 . . 1 . . 1366 . . 11 PHE CE2 . 26986 1 141 . 1 1 11 11 PHE N N 15 120.786 0.043 . 1 . . 250 . . 11 PHE N . 26986 1 142 . 1 1 12 12 ASP H H 1 7.934 0.005 . 1 . . 48 . . 12 ASP H . 26986 1 143 . 1 1 12 12 ASP HA H 1 3.983 0.02 . 1 . . 624 . . 12 ASP HA . 26986 1 144 . 1 1 12 12 ASP HB2 H 1 2.551 0.005 . 1 . . 625 . . 12 ASP HB2 . 26986 1 145 . 1 1 12 12 ASP HB3 H 1 2.551 0.005 . 1 . . 704 . . 12 ASP HB3 . 26986 1 146 . 1 1 12 12 ASP C C 13 178.889 . . 1 . . 969 . . 12 ASP C . 26986 1 147 . 1 1 12 12 ASP CA C 13 57.380 0.106 . 1 . . 309 . . 12 ASP CA . 26986 1 148 . 1 1 12 12 ASP CB C 13 40.263 0.127 . 1 . . 308 . . 12 ASP CB . 26986 1 149 . 1 1 12 12 ASP N N 15 118.152 0.257 . 1 . . 907 . . 12 ASP N . 26986 1 150 . 1 1 13 13 SER H H 1 7.786 0.004 . 1 . . 69 . . 13 SER H . 26986 1 151 . 1 1 13 13 SER HA H 1 4.173 0.026 . 1 . . 622 . . 13 SER HA . 26986 1 152 . 1 1 13 13 SER HB2 H 1 3.852 0.005 . 1 . . 705 . . 13 SER HB2 . 26986 1 153 . 1 1 13 13 SER HB3 H 1 3.852 0.005 . 1 . . 623 . . 13 SER HB3 . 26986 1 154 . 1 1 13 13 SER C C 13 176.382 . . 1 . . 970 . . 13 SER C . 26986 1 155 . 1 1 13 13 SER CA C 13 60.962 0.085 . 1 . . 303 . . 13 SER CA . 26986 1 156 . 1 1 13 13 SER CB C 13 62.957 0.148 . 1 . . 304 . . 13 SER CB . 26986 1 157 . 1 1 13 13 SER N N 15 112.061 0.05 . 1 . . 70 . . 13 SER N . 26986 1 158 . 1 1 14 14 ALA H H 1 7.907 0.005 . 1 . . 150 . . 14 ALA H . 26986 1 159 . 1 1 14 14 ALA HA H 1 4.135 0.061 . 1 . . 620 . . 14 ALA HA . 26986 1 160 . 1 1 14 14 ALA HB1 H 1 1.253 0.003 . 1 . . 621 . . 14 ALA HB1 . 26986 1 161 . 1 1 14 14 ALA HB2 H 1 1.253 0.003 . 1 . . 621 . . 14 ALA HB2 . 26986 1 162 . 1 1 14 14 ALA HB3 H 1 1.253 0.003 . 1 . . 621 . . 14 ALA HB3 . 26986 1 163 . 1 1 14 14 ALA C C 13 180.538 . . 1 . . 971 . . 14 ALA C . 26986 1 164 . 1 1 14 14 ALA CA C 13 54.922 0.043 . 1 . . 306 . . 14 ALA CA . 26986 1 165 . 1 1 14 14 ALA CB C 13 18.707 0.027 . 1 . . 305 . . 14 ALA CB . 26986 1 166 . 1 1 14 14 ALA N N 15 123.903 0.024 . 1 . . 151 . . 14 ALA N . 26986 1 167 . 1 1 15 15 ILE H H 1 7.434 0.004 . 1 . . 24 . . 15 ILE H . 26986 1 168 . 1 1 15 15 ILE HA H 1 3.844 0.006 . 1 . . 618 . . 15 ILE HA . 26986 1 169 . 1 1 15 15 ILE HB H 1 1.179 0.012 . 1 . . 619 . . 15 ILE HB . 26986 1 170 . 1 1 15 15 ILE HG12 H 1 0.947 0.189 . 2 . . 883 . . 15 ILE HG12 . 26986 1 171 . 1 1 15 15 ILE HG13 H 1 0.716 0.041 . 2 . . 884 . . 15 ILE HG13 . 26986 1 172 . 1 1 15 15 ILE HG21 H 1 -0.573 0.008 . 1 . . 877 . . 15 ILE HG21 . 26986 1 173 . 1 1 15 15 ILE HG22 H 1 -0.573 0.008 . 1 . . 877 . . 15 ILE HG22 . 26986 1 174 . 1 1 15 15 ILE HG23 H 1 -0.573 0.008 . 1 . . 877 . . 15 ILE HG23 . 26986 1 175 . 1 1 15 15 ILE HD11 H 1 0.177 0.009 . 1 . . 879 . . 15 ILE HD11 . 26986 1 176 . 1 1 15 15 ILE HD12 H 1 0.177 0.009 . 1 . . 879 . . 15 ILE HD12 . 26986 1 177 . 1 1 15 15 ILE HD13 H 1 0.177 0.009 . 1 . . 879 . . 15 ILE HD13 . 26986 1 178 . 1 1 15 15 ILE C C 13 176.079 . . 1 . . 972 . . 15 ILE C . 26986 1 179 . 1 1 15 15 ILE CA C 13 63.618 0.186 . 1 . . 27 . . 15 ILE CA . 26986 1 180 . 1 1 15 15 ILE CB C 13 37.704 0.094 . 1 . . 290 . . 15 ILE CB . 26986 1 181 . 1 1 15 15 ILE CG1 C 13 25.204 . . 1 . . 885 . . 15 ILE CG1 . 26986 1 182 . 1 1 15 15 ILE CG2 C 13 16.812 . . 1 . . 878 . . 15 ILE CG2 . 26986 1 183 . 1 1 15 15 ILE CD1 C 13 14.921 . . 1 . . 880 . . 15 ILE CD1 . 26986 1 184 . 1 1 15 15 ILE N N 15 107.255 0.042 . 1 . . 25 . . 15 ILE N . 26986 1 185 . 1 1 16 16 ALA H H 1 6.834 0.003 . 1 . . 55 . . 16 ALA H . 26986 1 186 . 1 1 16 16 ALA HA H 1 4.127 0.041 . 1 . . 616 . . 16 ALA HA . 26986 1 187 . 1 1 16 16 ALA HB1 H 1 1.432 0.03 . 1 . . 617 . . 16 ALA HB1 . 26986 1 188 . 1 1 16 16 ALA HB2 H 1 1.432 0.03 . 1 . . 617 . . 16 ALA HB2 . 26986 1 189 . 1 1 16 16 ALA HB3 H 1 1.432 0.03 . 1 . . 617 . . 16 ALA HB3 . 26986 1 190 . 1 1 16 16 ALA C C 13 177.290 . . 1 . . 973 . . 16 ALA C . 26986 1 191 . 1 1 16 16 ALA CA C 13 52.074 0.179 . 1 . . 288 . . 16 ALA CA . 26986 1 192 . 1 1 16 16 ALA CB C 13 18.547 0.06 . 1 . . 289 . . 16 ALA CB . 26986 1 193 . 1 1 16 16 ALA N N 15 121.833 0.086 . 1 . . 56 . . 16 ALA N . 26986 1 194 . 1 1 17 17 GLN H H 1 7.325 0.005 . 1 . . 208 . . 17 GLN H . 26986 1 195 . 1 1 17 17 GLN HA H 1 4.148 0.138 . 1 . . 872 . . 17 GLN HA . 26986 1 196 . 1 1 17 17 GLN HB2 H 1 2.044 0.07 . 1 . . 873 . . 17 GLN HB2 . 26986 1 197 . 1 1 17 17 GLN HB3 H 1 2.044 0.07 . 1 . . 874 . . 17 GLN HB3 . 26986 1 198 . 1 1 17 17 GLN HG2 H 1 2.251 . . 2 . . 1196 . . 17 GLN HG2 . 26986 1 199 . 1 1 17 17 GLN HG3 H 1 2.801 . . 2 . . 1286 . . 17 GLN HG3 . 26986 1 200 . 1 1 17 17 GLN HE21 H 1 6.298 . . 1 . . 98 . . 17 GLN HE21 . 26986 1 201 . 1 1 17 17 GLN HE22 H 1 7.719 . . 1 . . 136 . . 17 GLN HE22 . 26986 1 202 . 1 1 17 17 GLN C C 13 175.526 . . 1 . . 974 . . 17 GLN C . 26986 1 203 . 1 1 17 17 GLN CA C 13 56.191 0.05 . 1 . . 377 . . 17 GLN CA . 26986 1 204 . 1 1 17 17 GLN CB C 13 33.541 0.172 . 1 . . 376 . . 17 GLN CB . 26986 1 205 . 1 1 17 17 GLN CG C 13 35.115 0.028 . 1 . . 1195 . . 17 GLN CG . 26986 1 206 . 1 1 17 17 GLN N N 15 115.151 0.052 . 1 . . 209 . . 17 GLN N . 26986 1 207 . 1 1 17 17 GLN NE2 N 15 113.631 0.0 . 1 . . 99 . . 17 GLN NE2 . 26986 1 208 . 1 1 18 18 ASP H H 1 8.843 0.01 . 1 . . 59 . . 18 ASP H . 26986 1 209 . 1 1 18 18 ASP HA H 1 4.835 0.006 . 1 . . 612 . . 18 ASP HA . 26986 1 210 . 1 1 18 18 ASP HB2 H 1 2.787 0.009 . 1 . . 708 . . 18 ASP HB2 . 26986 1 211 . 1 1 18 18 ASP HB3 H 1 2.787 0.009 . 1 . . 613 . . 18 ASP HB3 . 26986 1 212 . 1 1 18 18 ASP C C 13 175.363 . . 1 . . 975 . . 18 ASP C . 26986 1 213 . 1 1 18 18 ASP CA C 13 52.925 0.052 . 1 . . 472 . . 18 ASP CA . 26986 1 214 . 1 1 18 18 ASP CB C 13 38.824 0.084 . 1 . . 471 . . 18 ASP CB . 26986 1 215 . 1 1 18 18 ASP N N 15 122.769 0.114 . 1 . . 60 . . 18 ASP N . 26986 1 216 . 1 1 19 19 LYS H H 1 8.136 0.003 . 1 . . 231 . . 19 LYS H . 26986 1 217 . 1 1 19 19 LYS HA H 1 4.497 0.012 . 1 . . 610 . . 19 LYS HA . 26986 1 218 . 1 1 19 19 LYS HB2 H 1 1.878 0.012 . 1 . . 709 . . 19 LYS HB2 . 26986 1 219 . 1 1 19 19 LYS HB3 H 1 1.873 0.009 . 1 . . 611 . . 19 LYS HB3 . 26986 1 220 . 1 1 19 19 LYS HG2 H 1 1.322 0.008 . 1 . . 863 . . 19 LYS HG2 . 26986 1 221 . 1 1 19 19 LYS HG3 H 1 1.321 0.007 . 1 . . 864 . . 19 LYS HG3 . 26986 1 222 . 1 1 19 19 LYS HD2 H 1 1.420 0.166 . 1 . . 869 . . 19 LYS HD2 . 26986 1 223 . 1 1 19 19 LYS HD3 H 1 1.254 . . 1 . . 1242 . . 19 LYS HD3 . 26986 1 224 . 1 1 19 19 LYS HE2 H 1 2.925 . . 2 . . 866 . . 19 LYS HE2 . 26986 1 225 . 1 1 19 19 LYS HE3 H 1 2.819 0.001 . 2 . . 867 . . 19 LYS HE3 . 26986 1 226 . 1 1 19 19 LYS C C 13 173.173 . . 1 . . 976 . . 19 LYS C . 26986 1 227 . 1 1 19 19 LYS CA C 13 54.664 0.056 . 1 . . 469 . . 19 LYS CA . 26986 1 228 . 1 1 19 19 LYS CB C 13 34.166 0.067 . 1 . . 470 . . 19 LYS CB . 26986 1 229 . 1 1 19 19 LYS CG C 13 22.796 0.042 . 1 . . 865 . . 19 LYS CG . 26986 1 230 . 1 1 19 19 LYS CD C 13 29.270 . . 1 . . 1241 . . 19 LYS CD . 26986 1 231 . 1 1 19 19 LYS CE C 13 41.718 . . 1 . . 871 . . 19 LYS CE . 26986 1 232 . 1 1 19 19 LYS N N 15 118.648 0.065 . 1 . . 232 . . 19 LYS N . 26986 1 233 . 1 1 20 20 LEU H H 1 8.839 0.002 . 1 . . 218 . . 20 LEU H . 26986 1 234 . 1 1 20 20 LEU HA H 1 4.825 0.009 . 1 . . 607 . . 20 LEU HA . 26986 1 235 . 1 1 20 20 LEU HB2 H 1 1.923 0.005 . 1 . . 860 . . 20 LEU HB2 . 26986 1 236 . 1 1 20 20 LEU HB3 H 1 1.916 0.01 . 1 . . 859 . . 20 LEU HB3 . 26986 1 237 . 1 1 20 20 LEU HG H 1 1.761 . . 1 . . 1205 . . 20 LEU HG . 26986 1 238 . 1 1 20 20 LEU HD11 H 1 0.558 0.0 . 2 . . 862 . . 20 LEU HD11 . 26986 1 239 . 1 1 20 20 LEU HD12 H 1 0.558 0.0 . 2 . . 862 . . 20 LEU HD12 . 26986 1 240 . 1 1 20 20 LEU HD13 H 1 0.558 0.0 . 2 . . 862 . . 20 LEU HD13 . 26986 1 241 . 1 1 20 20 LEU HD21 H 1 0.678 . . 2 . . 1229 . . 20 LEU HD21 . 26986 1 242 . 1 1 20 20 LEU HD22 H 1 0.678 . . 2 . . 1229 . . 20 LEU HD22 . 26986 1 243 . 1 1 20 20 LEU HD23 H 1 0.678 . . 2 . . 1229 . . 20 LEU HD23 . 26986 1 244 . 1 1 20 20 LEU C C 13 174.481 . . 1 . . 977 . . 20 LEU C . 26986 1 245 . 1 1 20 20 LEU CA C 13 55.646 0.104 . 1 . . 442 . . 20 LEU CA . 26986 1 246 . 1 1 20 20 LEU CB C 13 41.582 0.131 . 1 . . 441 . . 20 LEU CB . 26986 1 247 . 1 1 20 20 LEU CG C 13 24.417 . . 1 . . 1218 . . 20 LEU CG . 26986 1 248 . 1 1 20 20 LEU CD1 C 13 26.904 . . 2 . . 1141 . . 20 LEU CD1 . 26986 1 249 . 1 1 20 20 LEU CD2 C 13 22.942 . . 2 . . 1230 . . 20 LEU CD2 . 26986 1 250 . 1 1 20 20 LEU N N 15 121.094 0.04 . 1 . . 219 . . 20 LEU N . 26986 1 251 . 1 1 21 21 VAL H H 1 9.449 0.003 . 1 . . 237 . . 21 VAL H . 26986 1 252 . 1 1 21 21 VAL HA H 1 4.888 0.019 . 1 . . 605 . . 21 VAL HA . 26986 1 253 . 1 1 21 21 VAL HB H 1 2.092 . . 1 . . 854 . . 21 VAL HB . 26986 1 254 . 1 1 21 21 VAL HG11 H 1 0.918 0.014 . 2 . . 855 . . 21 VAL HG11 . 26986 1 255 . 1 1 21 21 VAL HG12 H 1 0.918 0.014 . 2 . . 855 . . 21 VAL HG12 . 26986 1 256 . 1 1 21 21 VAL HG13 H 1 0.918 0.014 . 2 . . 855 . . 21 VAL HG13 . 26986 1 257 . 1 1 21 21 VAL HG21 H 1 1.188 . . 2 . . 1320 . . 21 VAL HG21 . 26986 1 258 . 1 1 21 21 VAL HG22 H 1 1.188 . . 2 . . 1320 . . 21 VAL HG22 . 26986 1 259 . 1 1 21 21 VAL HG23 H 1 1.188 . . 2 . . 1320 . . 21 VAL HG23 . 26986 1 260 . 1 1 21 21 VAL C C 13 174.503 . . 1 . . 978 . . 21 VAL C . 26986 1 261 . 1 1 21 21 VAL CA C 13 61.529 0.146 . 1 . . 438 . . 21 VAL CA . 26986 1 262 . 1 1 21 21 VAL CB C 13 34.094 0.123 . 1 . . 497 . . 21 VAL CB . 26986 1 263 . 1 1 21 21 VAL CG1 C 13 21.273 . . 2 . . 857 . . 21 VAL CG1 . 26986 1 264 . 1 1 21 21 VAL CG2 C 13 21.301 . . 2 . . 1321 . . 21 VAL CG2 . 26986 1 265 . 1 1 21 21 VAL N N 15 128.828 0.073 . 1 . . 238 . . 21 VAL N . 26986 1 266 . 1 1 22 22 VAL H H 1 9.163 0.005 . 1 . . 180 . . 22 VAL H . 26986 1 267 . 1 1 22 22 VAL HA H 1 4.589 0.002 . 1 . . 603 . . 22 VAL HA . 26986 1 268 . 1 1 22 22 VAL HB H 1 1.406 0.026 . 1 . . 604 . . 22 VAL HB . 26986 1 269 . 1 1 22 22 VAL HG11 H 1 0.785 0.007 . 2 . . 850 . . 22 VAL HG11 . 26986 1 270 . 1 1 22 22 VAL HG12 H 1 0.785 0.007 . 2 . . 850 . . 22 VAL HG12 . 26986 1 271 . 1 1 22 22 VAL HG13 H 1 0.785 0.007 . 2 . . 850 . . 22 VAL HG13 . 26986 1 272 . 1 1 22 22 VAL HG21 H 1 0.217 0.007 . 2 . . 852 . . 22 VAL HG21 . 26986 1 273 . 1 1 22 22 VAL HG22 H 1 0.217 0.007 . 2 . . 852 . . 22 VAL HG22 . 26986 1 274 . 1 1 22 22 VAL HG23 H 1 0.217 0.007 . 2 . . 852 . . 22 VAL HG23 . 26986 1 275 . 1 1 22 22 VAL C C 13 174.935 . . 1 . . 979 . . 22 VAL C . 26986 1 276 . 1 1 22 22 VAL CA C 13 61.455 0.079 . 1 . . 434 . . 22 VAL CA . 26986 1 277 . 1 1 22 22 VAL CB C 13 33.280 0.128 . 1 . . 435 . . 22 VAL CB . 26986 1 278 . 1 1 22 22 VAL CG1 C 13 21.230 . . 2 . . 851 . . 22 VAL CG1 . 26986 1 279 . 1 1 22 22 VAL CG2 C 13 19.762 . . 2 . . 853 . . 22 VAL CG2 . 26986 1 280 . 1 1 22 22 VAL N N 15 128.669 0.082 . 1 . . 181 . . 22 VAL N . 26986 1 281 . 1 1 23 23 VAL H H 1 9.772 0.005 . 1 . . 188 . . 23 VAL H . 26986 1 282 . 1 1 23 23 VAL HA H 1 4.830 0.016 . 1 . . 601 . . 23 VAL HA . 26986 1 283 . 1 1 23 23 VAL HB H 1 2.589 . . 1 . . 1079 . . 23 VAL HB . 26986 1 284 . 1 1 23 23 VAL HG11 H 1 1.186 0.005 . 2 . . 845 . . 23 VAL HG11 . 26986 1 285 . 1 1 23 23 VAL HG12 H 1 1.186 0.005 . 2 . . 845 . . 23 VAL HG12 . 26986 1 286 . 1 1 23 23 VAL HG13 H 1 1.186 0.005 . 2 . . 845 . . 23 VAL HG13 . 26986 1 287 . 1 1 23 23 VAL HG21 H 1 0.660 0.002 . 2 . . 847 . . 23 VAL HG21 . 26986 1 288 . 1 1 23 23 VAL HG22 H 1 0.660 0.002 . 2 . . 847 . . 23 VAL HG22 . 26986 1 289 . 1 1 23 23 VAL HG23 H 1 0.660 0.002 . 2 . . 847 . . 23 VAL HG23 . 26986 1 290 . 1 1 23 23 VAL C C 13 173.720 . . 1 . . 980 . . 23 VAL C . 26986 1 291 . 1 1 23 23 VAL CA C 13 61.526 0.117 . 1 . . 433 . . 23 VAL CA . 26986 1 292 . 1 1 23 23 VAL CB C 13 34.354 0.104 . 1 . . 432 . . 23 VAL CB . 26986 1 293 . 1 1 23 23 VAL CG1 C 13 20.576 . . 2 . . 846 . . 23 VAL CG1 . 26986 1 294 . 1 1 23 23 VAL CG2 C 13 20.365 . . 2 . . 848 . . 23 VAL CG2 . 26986 1 295 . 1 1 23 23 VAL N N 15 125.614 0.041 . 1 . . 189 . . 23 VAL N . 26986 1 296 . 1 1 24 24 ASP H H 1 8.972 0.007 . 1 . . 85 . . 24 ASP H . 26986 1 297 . 1 1 24 24 ASP HA H 1 5.203 0.002 . 1 . . 599 . . 24 ASP HA . 26986 1 298 . 1 1 24 24 ASP HB2 H 1 2.740 . . 1 . . 710 . . 24 ASP HB2 . 26986 1 299 . 1 1 24 24 ASP HB3 H 1 2.664 . . 2 . . 1189 . . 24 ASP HB3 . 26986 1 300 . 1 1 24 24 ASP C C 13 175.081 . . 1 . . 981 . . 24 ASP C . 26986 1 301 . 1 1 24 24 ASP CA C 13 53.049 0.228 . 1 . . 480 . . 24 ASP CA . 26986 1 302 . 1 1 24 24 ASP CB C 13 41.626 0.151 . 1 . . 479 . . 24 ASP CB . 26986 1 303 . 1 1 24 24 ASP N N 15 127.814 0.033 . 1 . . 86 . . 24 ASP N . 26986 1 304 . 1 1 25 25 PHE H H 1 9.442 0.005 . 1 . . 110 . . 25 PHE H . 26986 1 305 . 1 1 25 25 PHE HA H 1 5.237 0.014 . 1 . . 596 . . 25 PHE HA . 26986 1 306 . 1 1 25 25 PHE HB2 H 1 3.697 0.01 . 2 . . 597 . . 25 PHE HB2 . 26986 1 307 . 1 1 25 25 PHE HB3 H 1 2.587 . . 2 . . 598 . . 25 PHE HB3 . 26986 1 308 . 1 1 25 25 PHE HD1 H 1 6.751 . . 1 . . 1353 . . 25 PHE HD1 . 26986 1 309 . 1 1 25 25 PHE HD2 H 1 6.751 . . 1 . . 1353 . . 25 PHE HD2 . 26986 1 310 . 1 1 25 25 PHE HE1 H 1 7.069 . . 1 . . 1363 . . 25 PHE HE1 . 26986 1 311 . 1 1 25 25 PHE HE2 H 1 7.069 . . 1 . . 1363 . . 25 PHE HE2 . 26986 1 312 . 1 1 25 25 PHE HZ H 1 6.819 . . 1 . . 1343 . . 25 PHE HZ . 26986 1 313 . 1 1 25 25 PHE C C 13 173.578 . . 1 . . 982 . . 25 PHE C . 26986 1 314 . 1 1 25 25 PHE CA C 13 58.379 0.26 . 1 . . 431 . . 25 PHE CA . 26986 1 315 . 1 1 25 25 PHE CB C 13 39.456 0.028 . 1 . . 430 . . 25 PHE CB . 26986 1 316 . 1 1 25 25 PHE CD1 C 13 132.142 . . 1 . . 1354 . . 25 PHE CD1 . 26986 1 317 . 1 1 25 25 PHE CD2 C 13 132.142 . . 1 . . 1354 . . 25 PHE CD2 . 26986 1 318 . 1 1 25 25 PHE CE1 C 13 130.844 . . 1 . . 1364 . . 25 PHE CE1 . 26986 1 319 . 1 1 25 25 PHE CE2 C 13 130.844 . . 1 . . 1364 . . 25 PHE CE2 . 26986 1 320 . 1 1 25 25 PHE N N 15 127.046 0.084 . 1 . . 111 . . 25 PHE N . 26986 1 321 . 1 1 26 26 TYR H H 1 9.007 0.003 . 1 . . 144 . . 26 TYR H . 26986 1 322 . 1 1 26 26 TYR HA H 1 5.231 0.008 . 1 . . 503 . . 26 TYR HA . 26986 1 323 . 1 1 26 26 TYR HB2 H 1 3.170 . . 2 . . 1153 . . 26 TYR HB2 . 26986 1 324 . 1 1 26 26 TYR HB3 H 1 2.610 . . 2 . . 1314 . . 26 TYR HB3 . 26986 1 325 . 1 1 26 26 TYR HD1 H 1 7.283 . . 1 . . 1341 . . 26 TYR HD1 . 26986 1 326 . 1 1 26 26 TYR HD2 H 1 7.283 . . 1 . . 1341 . . 26 TYR HD2 . 26986 1 327 . 1 1 26 26 TYR HE1 H 1 6.430 . . 1 . . 1330 . . 26 TYR HE1 . 26986 1 328 . 1 1 26 26 TYR HE2 H 1 6.430 . . 1 . . 1330 . . 26 TYR HE2 . 26986 1 329 . 1 1 26 26 TYR C C 13 171.110 . . 1 . . 983 . . 26 TYR C . 26986 1 330 . 1 1 26 26 TYR CA C 13 55.168 0.063 . 1 . . 388 . . 26 TYR CA . 26986 1 331 . 1 1 26 26 TYR CB C 13 43.070 0.079 . 1 . . 429 . . 26 TYR CB . 26986 1 332 . 1 1 26 26 TYR CD1 C 13 133.615 . . 1 . . 1342 . . 26 TYR CD1 . 26986 1 333 . 1 1 26 26 TYR CD2 C 13 133.615 . . 1 . . 1342 . . 26 TYR CD2 . 26986 1 334 . 1 1 26 26 TYR CE1 C 13 117.410 . . 1 . . 1331 . . 26 TYR CE1 . 26986 1 335 . 1 1 26 26 TYR CE2 C 13 117.410 . . 1 . . 1331 . . 26 TYR CE2 . 26986 1 336 . 1 1 26 26 TYR N N 15 120.571 0.037 . 1 . . 145 . . 26 TYR N . 26986 1 337 . 1 1 27 27 ALA H H 1 6.346 0.008 . 1 . . 214 . . 27 ALA H . 26986 1 338 . 1 1 27 27 ALA HA H 1 4.358 0.007 . 1 . . 595 . . 27 ALA HA . 26986 1 339 . 1 1 27 27 ALA HB1 H 1 0.079 0.013 . 1 . . 675 . . 27 ALA HB1 . 26986 1 340 . 1 1 27 27 ALA HB2 H 1 0.079 0.013 . 1 . . 675 . . 27 ALA HB2 . 26986 1 341 . 1 1 27 27 ALA HB3 H 1 0.079 0.013 . 1 . . 675 . . 27 ALA HB3 . 26986 1 342 . 1 1 27 27 ALA C C 13 179.509 . . 1 . . 984 . . 27 ALA C . 26986 1 343 . 1 1 27 27 ALA CA C 13 50.202 0.27 . 1 . . 476 . . 27 ALA CA . 26986 1 344 . 1 1 27 27 ALA CB C 13 22.191 0.044 . 1 . . 475 . . 27 ALA CB . 26986 1 345 . 1 1 27 27 ALA N N 15 116.303 0.075 . 1 . . 215 . . 27 ALA N . 26986 1 346 . 1 1 28 28 THR H H 1 10.638 0.005 . 1 . . 122 . . 28 THR H . 26986 1 347 . 1 1 28 28 THR HA H 1 4.076 0.005 . 1 . . 955 . . 28 THR HA . 26986 1 348 . 1 1 28 28 THR HB H 1 4.351 0.029 . 1 . . 956 . . 28 THR HB . 26986 1 349 . 1 1 28 28 THR HG21 H 1 1.519 . . 1 . . 1090 . . 28 THR HG21 . 26986 1 350 . 1 1 28 28 THR HG22 H 1 1.519 . . 1 . . 1090 . . 28 THR HG22 . 26986 1 351 . 1 1 28 28 THR HG23 H 1 1.519 . . 1 . . 1090 . . 28 THR HG23 . 26986 1 352 . 1 1 28 28 THR C C 13 174.838 . . 1 . . 985 . . 28 THR C . 26986 1 353 . 1 1 28 28 THR CA C 13 65.486 0.218 . 1 . . 394 . . 28 THR CA . 26986 1 354 . 1 1 28 28 THR CB C 13 69.081 0.193 . 1 . . 395 . . 28 THR CB . 26986 1 355 . 1 1 28 28 THR CG2 C 13 21.669 . . 1 . . 1231 . . 28 THR CG2 . 26986 1 356 . 1 1 28 28 THR N N 15 118.519 0.048 . 1 . . 123 . . 28 THR N . 26986 1 357 . 1 1 29 29 TRP H H 1 6.640 0.009 . 1 . . 245 . . 29 TRP H . 26986 1 358 . 1 1 29 29 TRP HA H 1 4.742 0.02 . 1 . . 1154 . . 29 TRP HA . 26986 1 359 . 1 1 29 29 TRP HB2 H 1 3.775 . . 2 . . 1155 . . 29 TRP HB2 . 26986 1 360 . 1 1 29 29 TRP HB3 H 1 3.222 . . 2 . . 1156 . . 29 TRP HB3 . 26986 1 361 . 1 1 29 29 TRP HD1 H 1 7.209 . . 1 . . 1349 . . 29 TRP HD1 . 26986 1 362 . 1 1 29 29 TRP HE1 H 1 11.02 . . 1 . . 1345 . . 29 TRP HE1 . 26986 1 363 . 1 1 29 29 TRP HZ2 H 1 7.461 . . 1 . . 1337 . . 29 TRP HZ2 . 26986 1 364 . 1 1 29 29 TRP HZ3 H 1 7.147 . . 1 . . 1347 . . 29 TRP HZ3 . 26986 1 365 . 1 1 29 29 TRP CA C 13 53.166 0.102 . 1 . . 393 . . 29 TRP CA . 26986 1 366 . 1 1 29 29 TRP CB C 13 28.684 0.064 . 1 . . 392 . . 29 TRP CB . 26986 1 367 . 1 1 29 29 TRP CD1 C 13 125.072 . . 1 . . 1350 . . 29 TRP CD1 . 26986 1 368 . 1 1 29 29 TRP CZ2 C 13 115.172 . . 1 . . 1338 . . 29 TRP CZ2 . 26986 1 369 . 1 1 29 29 TRP CZ3 C 13 120.978 . . 1 . . 1348 . . 29 TRP CZ3 . 26986 1 370 . 1 1 29 29 TRP N N 15 114.974 0.053 . 1 . . 246 . . 29 TRP N . 26986 1 371 . 1 1 31 31 GLY HA2 H 1 3.956 . . 2 . . 1215 . . 31 GLY HA2 . 26986 1 372 . 1 1 31 31 GLY HA3 H 1 4.092 . . 2 . . 1217 . . 31 GLY HA3 . 26986 1 373 . 1 1 31 31 GLY CA C 13 48.066 0.011 . 1 . . 1216 . . 31 GLY CA . 26986 1 374 . 1 1 32 32 PRO HA H 1 4.495 0.006 . 1 . . 590 . . 32 PRO HA . 26986 1 375 . 1 1 32 32 PRO HB2 H 1 2.373 . . 1 . . 1295 . . 32 PRO HB2 . 26986 1 376 . 1 1 32 32 PRO HB3 H 1 2.373 . . 1 . . 1295 . . 32 PRO HB3 . 26986 1 377 . 1 1 32 32 PRO HG2 H 1 1.810 . . 1 . . 1294 . . 32 PRO HG2 . 26986 1 378 . 1 1 32 32 PRO HG3 H 1 1.810 . . 1 . . 1292 . . 32 PRO HG3 . 26986 1 379 . 1 1 32 32 PRO HD2 H 1 3.888 . . 1 . . 1299 . . 32 PRO HD2 . 26986 1 380 . 1 1 32 32 PRO HD3 H 1 4.087 . . 2 . . 1302 . . 32 PRO HD3 . 26986 1 381 . 1 1 32 32 PRO C C 13 177.771 . . 1 . . 986 . . 32 PRO C . 26986 1 382 . 1 1 32 32 PRO CA C 13 65.079 0.092 . 1 . . 425 . . 32 PRO CA . 26986 1 383 . 1 1 32 32 PRO CB C 13 32.273 0.039 . 1 . . 424 . . 32 PRO CB . 26986 1 384 . 1 1 32 32 PRO CG C 13 27.371 . . 1 . . 1293 . . 32 PRO CG . 26986 1 385 . 1 1 32 32 PRO CD C 13 50.562 0.017 . 1 . . 1300 . . 32 PRO CD . 26986 1 386 . 1 1 33 33 CYS H H 1 8.265 0.003 . 1 . . 8 . . 33 CYS H . 26986 1 387 . 1 1 33 33 CYS HA H 1 4.470 0.007 . 1 . . 713 . . 33 CYS HA . 26986 1 388 . 1 1 33 33 CYS HB2 H 1 3.465 0.001 . 2 . . 843 . . 33 CYS HB2 . 26986 1 389 . 1 1 33 33 CYS HB3 H 1 3.710 0.243 . 2 . . 844 . . 33 CYS HB3 . 26986 1 390 . 1 1 33 33 CYS C C 13 175.993 . . 1 . . 987 . . 33 CYS C . 26986 1 391 . 1 1 33 33 CYS CA C 13 63.347 0.081 . 1 . . 423 . . 33 CYS CA . 26986 1 392 . 1 1 33 33 CYS CB C 13 34.815 0.065 . 1 . . 391 . . 33 CYS CB . 26986 1 393 . 1 1 33 33 CYS N N 15 110.438 0.057 . 1 . . 9 . . 33 CYS N . 26986 1 394 . 1 1 34 34 LYS H H 1 7.866 0.006 . 1 . . 225 . . 34 LYS H . 26986 1 395 . 1 1 34 34 LYS HA H 1 3.999 0.014 . 1 . . 1142 . . 34 LYS HA . 26986 1 396 . 1 1 34 34 LYS HB2 H 1 2.083 0.081 . 1 . . 1144 . . 34 LYS HB2 . 26986 1 397 . 1 1 34 34 LYS HB3 H 1 2.083 0.081 . 1 . . 1143 . . 34 LYS HB3 . 26986 1 398 . 1 1 34 34 LYS HG2 H 1 1.417 . . 1 . . 1245 . . 34 LYS HG2 . 26986 1 399 . 1 1 34 34 LYS HG3 H 1 1.417 . . 1 . . 1243 . . 34 LYS HG3 . 26986 1 400 . 1 1 34 34 LYS HD2 H 1 1.732 . . 1 . . 1248 . . 34 LYS HD2 . 26986 1 401 . 1 1 34 34 LYS HD3 H 1 1.732 . . 1 . . 1246 . . 34 LYS HD3 . 26986 1 402 . 1 1 34 34 LYS HE2 H 1 2.759 . . 1 . . 1249 . . 34 LYS HE2 . 26986 1 403 . 1 1 34 34 LYS HE3 H 1 2.759 . . 1 . . 1251 . . 34 LYS HE3 . 26986 1 404 . 1 1 34 34 LYS C C 13 175.403 . . 1 . . 988 . . 34 LYS C . 26986 1 405 . 1 1 34 34 LYS CA C 13 59.036 . . 1 . . 711 . . 34 LYS CA . 26986 1 406 . 1 1 34 34 LYS CB C 13 32.232 . . 1 . . 712 . . 34 LYS CB . 26986 1 407 . 1 1 34 34 LYS CG C 13 24.267 . . 1 . . 1244 . . 34 LYS CG . 26986 1 408 . 1 1 34 34 LYS CD C 13 27.428 . . 1 . . 1247 . . 34 LYS CD . 26986 1 409 . 1 1 34 34 LYS CE C 13 40.829 . . 1 . . 1250 . . 34 LYS CE . 26986 1 410 . 1 1 34 34 LYS N N 15 119.884 0.024 . 1 . . 226 . . 34 LYS N . 26986 1 411 . 1 1 35 35 MET H H 1 7.685 0.004 . 1 . . 182 . . 35 MET H . 26986 1 412 . 1 1 35 35 MET HA H 1 4.316 0.011 . 1 . . 589 . . 35 MET HA . 26986 1 413 . 1 1 35 35 MET HB2 H 1 2.597 . . 2 . . 1105 . . 35 MET HB2 . 26986 1 414 . 1 1 35 35 MET HB3 H 1 2.762 . . 2 . . 1107 . . 35 MET HB3 . 26986 1 415 . 1 1 35 35 MET HG2 H 1 2.632 . . 1 . . 1278 . . 35 MET HG2 . 26986 1 416 . 1 1 35 35 MET HG3 H 1 2.632 . . 1 . . 1276 . . 35 MET HG3 . 26986 1 417 . 1 1 35 35 MET HE1 H 1 2.111 . . 1 . . 1113 . . 35 MET HE1 . 26986 1 418 . 1 1 35 35 MET HE2 H 1 2.111 . . 1 . . 1113 . . 35 MET HE2 . 26986 1 419 . 1 1 35 35 MET HE3 H 1 2.111 . . 1 . . 1113 . . 35 MET HE3 . 26986 1 420 . 1 1 35 35 MET C C 13 177.907 . . 1 . . 989 . . 35 MET C . 26986 1 421 . 1 1 35 35 MET CA C 13 57.497 0.135 . 1 . . 422 . . 35 MET CA . 26986 1 422 . 1 1 35 35 MET CB C 13 31.926 0.102 . 1 . . 421 . . 35 MET CB . 26986 1 423 . 1 1 35 35 MET CG C 13 33.044 . . 1 . . 1277 . . 35 MET CG . 26986 1 424 . 1 1 35 35 MET CE C 13 17.198 . . 1 . . 1114 . . 35 MET CE . 26986 1 425 . 1 1 35 35 MET N N 15 116.086 0.035 . 1 . . 183 . . 35 MET N . 26986 1 426 . 1 1 36 36 ILE H H 1 7.460 0.005 . 1 . . 212 . . 36 ILE H . 26986 1 427 . 1 1 36 36 ILE HA H 1 4.455 0.009 . 1 . . 587 . . 36 ILE HA . 26986 1 428 . 1 1 36 36 ILE HB H 1 2.038 0.013 . 1 . . 588 . . 36 ILE HB . 26986 1 429 . 1 1 36 36 ILE HG12 H 1 1.522 . . 1 . . 1063 . . 36 ILE HG12 . 26986 1 430 . 1 1 36 36 ILE HG13 H 1 1.522 . . 1 . . 1061 . . 36 ILE HG13 . 26986 1 431 . 1 1 36 36 ILE HG21 H 1 0.839 0.004 . 1 . . 841 . . 36 ILE HG21 . 26986 1 432 . 1 1 36 36 ILE HG22 H 1 0.839 0.004 . 1 . . 841 . . 36 ILE HG22 . 26986 1 433 . 1 1 36 36 ILE HG23 H 1 0.839 0.004 . 1 . . 841 . . 36 ILE HG23 . 26986 1 434 . 1 1 36 36 ILE HD11 H 1 0.932 . . 1 . . 1064 . . 36 ILE HD11 . 26986 1 435 . 1 1 36 36 ILE HD12 H 1 0.932 . . 1 . . 1064 . . 36 ILE HD12 . 26986 1 436 . 1 1 36 36 ILE HD13 H 1 0.932 . . 1 . . 1064 . . 36 ILE HD13 . 26986 1 437 . 1 1 36 36 ILE C C 13 176.982 . . 1 . . 990 . . 36 ILE C . 26986 1 438 . 1 1 36 36 ILE CA C 13 60.459 0.193 . 1 . . 420 . . 36 ILE CA . 26986 1 439 . 1 1 36 36 ILE CB C 13 39.025 0.074 . 1 . . 419 . . 36 ILE CB . 26986 1 440 . 1 1 36 36 ILE CG1 C 13 27.630 . . 1 . . 1062 . . 36 ILE CG1 . 26986 1 441 . 1 1 36 36 ILE CG2 C 13 17.561 . . 1 . . 842 . . 36 ILE CG2 . 26986 1 442 . 1 1 36 36 ILE CD1 C 13 13.911 . . 1 . . 1065 . . 36 ILE CD1 . 26986 1 443 . 1 1 36 36 ILE N N 15 113.264 0.087 . 1 . . 213 . . 36 ILE N . 26986 1 444 . 1 1 37 37 ALA H H 1 7.572 0.003 . 1 . . 233 . . 37 ALA H . 26986 1 445 . 1 1 37 37 ALA HA H 1 4.129 . . 1 . . 1072 . . 37 ALA HA . 26986 1 446 . 1 1 37 37 ALA HB1 H 1 1.451 0.002 . 1 . . 1070 . . 37 ALA HB1 . 26986 1 447 . 1 1 37 37 ALA HB2 H 1 1.451 0.002 . 1 . . 1070 . . 37 ALA HB2 . 26986 1 448 . 1 1 37 37 ALA HB3 H 1 1.451 0.002 . 1 . . 1070 . . 37 ALA HB3 . 26986 1 449 . 1 1 37 37 ALA CA C 13 57.139 0.152 . 1 . . 448 . . 37 ALA CA . 26986 1 450 . 1 1 37 37 ALA CB C 13 15.355 0.036 . 1 . . 447 . . 37 ALA CB . 26986 1 451 . 1 1 37 37 ALA N N 15 126.026 0.034 . 1 . . 234 . . 37 ALA N . 26986 1 452 . 1 1 38 38 PRO HA H 1 4.377 0.011 . 1 . . 582 . . 38 PRO HA . 26986 1 453 . 1 1 38 38 PRO HB2 H 1 1.943 0.397 . 2 . . 583 . . 38 PRO HB2 . 26986 1 454 . 1 1 38 38 PRO HB3 H 1 1.808 0.008 . 2 . . 584 . . 38 PRO HB3 . 26986 1 455 . 1 1 38 38 PRO HG2 H 1 2.356 . . 1 . . 1307 . . 38 PRO HG2 . 26986 1 456 . 1 1 38 38 PRO HG3 H 1 2.356 . . 1 . . 1305 . . 38 PRO HG3 . 26986 1 457 . 1 1 38 38 PRO C C 13 179.623 . . 1 . . 991 . . 38 PRO C . 26986 1 458 . 1 1 38 38 PRO CA C 13 65.313 0.111 . 1 . . 461 . . 38 PRO CA . 26986 1 459 . 1 1 38 38 PRO CB C 13 30.686 0.044 . 1 . . 460 . . 38 PRO CB . 26986 1 460 . 1 1 38 38 PRO CG C 13 28.200 . . 1 . . 1306 . . 38 PRO CG . 26986 1 461 . 1 1 39 39 MET H H 1 7.321 0.004 . 1 . . 116 . . 39 MET H . 26986 1 462 . 1 1 39 39 MET HA H 1 3.974 0.017 . 1 . . 579 . . 39 MET HA . 26986 1 463 . 1 1 39 39 MET HB2 H 1 3.013 . . 2 . . 580 . . 39 MET HB2 . 26986 1 464 . 1 1 39 39 MET HB3 H 1 1.770 . . 2 . . 581 . . 39 MET HB3 . 26986 1 465 . 1 1 39 39 MET HG2 H 1 2.492 0.009 . 1 . . 838 . . 39 MET HG2 . 26986 1 466 . 1 1 39 39 MET HG3 H 1 2.492 0.009 . 1 . . 839 . . 39 MET HG3 . 26986 1 467 . 1 1 39 39 MET HE1 H 1 2.155 . . 1 . . 1111 . . 39 MET HE1 . 26986 1 468 . 1 1 39 39 MET HE2 H 1 2.155 . . 1 . . 1111 . . 39 MET HE2 . 26986 1 469 . 1 1 39 39 MET HE3 H 1 2.155 . . 1 . . 1111 . . 39 MET HE3 . 26986 1 470 . 1 1 39 39 MET C C 13 175.037 . . 1 . . 992 . . 39 MET C . 26986 1 471 . 1 1 39 39 MET CA C 13 58.024 0.101 . 1 . . 459 . . 39 MET CA . 26986 1 472 . 1 1 39 39 MET CB C 13 31.606 0.02 . 1 . . 458 . . 39 MET CB . 26986 1 473 . 1 1 39 39 MET CG C 13 32.299 . . 1 . . 840 . . 39 MET CG . 26986 1 474 . 1 1 39 39 MET CE C 13 16.893 . . 1 . . 1112 . . 39 MET CE . 26986 1 475 . 1 1 39 39 MET N N 15 117.392 0.034 . 1 . . 117 . . 39 MET N . 26986 1 476 . 1 1 40 40 ILE H H 1 7.941 0.008 . 1 . . 210 . . 40 ILE H . 26986 1 477 . 1 1 40 40 ILE HA H 1 3.692 0.013 . 1 . . 577 . . 40 ILE HA . 26986 1 478 . 1 1 40 40 ILE HB H 1 1.666 0.0 . 1 . . 1067 . . 40 ILE HB . 26986 1 479 . 1 1 40 40 ILE HG12 H 1 1.536 . . 1 . . 1117 . . 40 ILE HG12 . 26986 1 480 . 1 1 40 40 ILE HG13 H 1 2.184 0.008 . 1 . . 835 . . 40 ILE HG13 . 26986 1 481 . 1 1 40 40 ILE HG21 H 1 1.115 0.006 . 1 . . 836 . . 40 ILE HG21 . 26986 1 482 . 1 1 40 40 ILE HG22 H 1 1.115 0.006 . 1 . . 836 . . 40 ILE HG22 . 26986 1 483 . 1 1 40 40 ILE HG23 H 1 1.115 0.006 . 1 . . 836 . . 40 ILE HG23 . 26986 1 484 . 1 1 40 40 ILE HD11 H 1 0.917 . . 1 . . 1119 . . 40 ILE HD11 . 26986 1 485 . 1 1 40 40 ILE HD12 H 1 0.917 . . 1 . . 1119 . . 40 ILE HD12 . 26986 1 486 . 1 1 40 40 ILE HD13 H 1 0.917 . . 1 . . 1119 . . 40 ILE HD13 . 26986 1 487 . 1 1 40 40 ILE C C 13 177.895 . . 1 . . 993 . . 40 ILE C . 26986 1 488 . 1 1 40 40 ILE CA C 13 63.534 0.083 . 1 . . 465 . . 40 ILE CA . 26986 1 489 . 1 1 40 40 ILE CB C 13 35.242 0.165 . 1 . . 464 . . 40 ILE CB . 26986 1 490 . 1 1 40 40 ILE CG1 C 13 27.298 . . 1 . . 1118 . . 40 ILE CG1 . 26986 1 491 . 1 1 40 40 ILE CG2 C 13 17.983 . . 1 . . 837 . . 40 ILE CG2 . 26986 1 492 . 1 1 40 40 ILE CD1 C 13 10.869 . . 1 . . 1120 . . 40 ILE CD1 . 26986 1 493 . 1 1 40 40 ILE N N 15 118.531 0.198 . 1 . . 211 . . 40 ILE N . 26986 1 494 . 1 1 41 41 GLU H H 1 7.646 0.005 . 1 . . 75 . . 41 GLU H . 26986 1 495 . 1 1 41 41 GLU HA H 1 3.674 0.015 . 1 . . 913 . . 41 GLU HA . 26986 1 496 . 1 1 41 41 GLU HB2 H 1 2.065 0.049 . 1 . . 911 . . 41 GLU HB2 . 26986 1 497 . 1 1 41 41 GLU HB3 H 1 2.065 0.049 . 1 . . 912 . . 41 GLU HB3 . 26986 1 498 . 1 1 41 41 GLU HG2 H 1 2.174 0.014 . 1 . . 914 . . 41 GLU HG2 . 26986 1 499 . 1 1 41 41 GLU HG3 H 1 2.174 0.014 . 1 . . 915 . . 41 GLU HG3 . 26986 1 500 . 1 1 41 41 GLU C C 13 180.184 . . 1 . . 994 . . 41 GLU C . 26986 1 501 . 1 1 41 41 GLU CA C 13 59.671 0.244 . 1 . . 463 . . 41 GLU CA . 26986 1 502 . 1 1 41 41 GLU CB C 13 28.666 0.171 . 1 . . 462 . . 41 GLU CB . 26986 1 503 . 1 1 41 41 GLU CG C 13 35.671 . . 1 . . 916 . . 41 GLU CG . 26986 1 504 . 1 1 41 41 GLU N N 15 118.366 0.025 . 1 . . 76 . . 41 GLU N . 26986 1 505 . 1 1 42 42 LYS H H 1 7.569 0.004 . 1 . . 138 . . 42 LYS H . 26986 1 506 . 1 1 42 42 LYS HA H 1 4.097 0.0 . 1 . . 575 . . 42 LYS HA . 26986 1 507 . 1 1 42 42 LYS HB2 H 1 1.814 0.009 . 1 . . 576 . . 42 LYS HB2 . 26986 1 508 . 1 1 42 42 LYS HB3 H 1 1.814 0.009 . 1 . . 714 . . 42 LYS HB3 . 26986 1 509 . 1 1 42 42 LYS HG2 H 1 1.335 . . 1 . . 1252 . . 42 LYS HG2 . 26986 1 510 . 1 1 42 42 LYS HG3 H 1 1.335 . . 1 . . 1254 . . 42 LYS HG3 . 26986 1 511 . 1 1 42 42 LYS HD2 H 1 1.604 . . 1 . . 1255 . . 42 LYS HD2 . 26986 1 512 . 1 1 42 42 LYS HD3 H 1 1.604 . . 1 . . 1257 . . 42 LYS HD3 . 26986 1 513 . 1 1 42 42 LYS HE2 H 1 2.894 . . 1 . . 1260 . . 42 LYS HE2 . 26986 1 514 . 1 1 42 42 LYS HE3 H 1 2.894 . . 1 . . 1258 . . 42 LYS HE3 . 26986 1 515 . 1 1 42 42 LYS C C 13 179.949 . . 1 . . 995 . . 42 LYS C . 26986 1 516 . 1 1 42 42 LYS CA C 13 59.103 0.139 . 1 . . 428 . . 42 LYS CA . 26986 1 517 . 1 1 42 42 LYS CB C 13 31.278 0.618 . 1 . . 427 . . 42 LYS CB . 26986 1 518 . 1 1 42 42 LYS CG C 13 24.828 . . 1 . . 1253 . . 42 LYS CG . 26986 1 519 . 1 1 42 42 LYS CD C 13 29.144 . . 1 . . 1256 . . 42 LYS CD . 26986 1 520 . 1 1 42 42 LYS CE C 13 40.806 . . 1 . . 1259 . . 42 LYS CE . 26986 1 521 . 1 1 42 42 LYS N N 15 121.197 0.163 . 1 . . 139 . . 42 LYS N . 26986 1 522 . 1 1 43 43 PHE H H 1 8.593 0.004 . 1 . . 172 . . 43 PHE H . 26986 1 523 . 1 1 43 43 PHE HA H 1 4.738 0.009 . 1 . . 573 . . 43 PHE HA . 26986 1 524 . 1 1 43 43 PHE HB2 H 1 3.257 0.024 . 2 . . 715 . . 43 PHE HB2 . 26986 1 525 . 1 1 43 43 PHE HB3 H 1 3.172 . . 2 . . 1290 . . 43 PHE HB3 . 26986 1 526 . 1 1 43 43 PHE HD1 H 1 7.223 . . 1 . . 1377 . . 43 PHE HD1 . 26986 1 527 . 1 1 43 43 PHE HD2 H 1 7.223 . . 1 . . 1377 . . 43 PHE HD2 . 26986 1 528 . 1 1 43 43 PHE HE1 H 1 7.344 . . 1 . . 1369 . . 43 PHE HE1 . 26986 1 529 . 1 1 43 43 PHE HE2 H 1 7.344 . . 1 . . 1369 . . 43 PHE HE2 . 26986 1 530 . 1 1 43 43 PHE HZ H 1 7.446 . . 1 . . 1381 . . 43 PHE HZ . 26986 1 531 . 1 1 43 43 PHE C C 13 177.889 . . 1 . . 996 . . 43 PHE C . 26986 1 532 . 1 1 43 43 PHE CA C 13 58.830 0.227 . 1 . . 426 . . 43 PHE CA . 26986 1 533 . 1 1 43 43 PHE CB C 13 37.204 0.054 . 1 . . 389 . . 43 PHE CB . 26986 1 534 . 1 1 43 43 PHE CD1 C 13 130.551 . . 1 . . 1378 . . 43 PHE CD1 . 26986 1 535 . 1 1 43 43 PHE CD2 C 13 130.551 . . 1 . . 1378 . . 43 PHE CD2 . 26986 1 536 . 1 1 43 43 PHE CE1 C 13 128.454 . . 1 . . 1370 . . 43 PHE CE1 . 26986 1 537 . 1 1 43 43 PHE CE2 C 13 128.454 . . 1 . . 1370 . . 43 PHE CE2 . 26986 1 538 . 1 1 43 43 PHE CZ C 13 131.945 . . 1 . . 1382 . . 43 PHE CZ . 26986 1 539 . 1 1 43 43 PHE N N 15 119.675 0.031 . 1 . . 173 . . 43 PHE N . 26986 1 540 . 1 1 44 44 SER H H 1 7.996 0.004 . 1 . . 89 . . 44 SER H . 26986 1 541 . 1 1 44 44 SER HA H 1 3.125 0.002 . 1 . . 1139 . . 44 SER HA . 26986 1 542 . 1 1 44 44 SER HB2 H 1 2.865 0.0 . 1 . . 716 . . 44 SER HB2 . 26986 1 543 . 1 1 44 44 SER HB3 H 1 3.333 0.0 . 1 . . 690 . . 44 SER HB3 . 26986 1 544 . 1 1 44 44 SER C C 13 175.484 . . 1 . . 997 . . 44 SER C . 26986 1 545 . 1 1 44 44 SER CA C 13 60.566 0.015 . 1 . . 456 . . 44 SER CA . 26986 1 546 . 1 1 44 44 SER CB C 13 61.748 0.263 . 1 . . 457 . . 44 SER CB . 26986 1 547 . 1 1 44 44 SER N N 15 116.273 0.048 . 1 . . 90 . . 44 SER N . 26986 1 548 . 1 1 45 45 GLU H H 1 7.098 0.006 . 1 . . 114 . . 45 GLU H . 26986 1 549 . 1 1 45 45 GLU HA H 1 4.151 0.002 . 1 . . 570 . . 45 GLU HA . 26986 1 550 . 1 1 45 45 GLU HB2 H 1 2.666 . . 2 . . 571 . . 45 GLU HB2 . 26986 1 551 . 1 1 45 45 GLU HB3 H 1 2.137 0.027 . 2 . . 572 . . 45 GLU HB3 . 26986 1 552 . 1 1 45 45 GLU HG2 H 1 2.386 0.01 . 1 . . 830 . . 45 GLU HG2 . 26986 1 553 . 1 1 45 45 GLU HG3 H 1 2.386 0.01 . 1 . . 829 . . 45 GLU HG3 . 26986 1 554 . 1 1 45 45 GLU C C 13 177.784 . . 1 . . 998 . . 45 GLU C . 26986 1 555 . 1 1 45 45 GLU CA C 13 57.354 0.125 . 1 . . 493 . . 45 GLU CA . 26986 1 556 . 1 1 45 45 GLU CB C 13 29.711 0.08 . 1 . . 467 . . 45 GLU CB . 26986 1 557 . 1 1 45 45 GLU CG C 13 35.982 . . 1 . . 831 . . 45 GLU CG . 26986 1 558 . 1 1 45 45 GLU N N 15 120.739 0.032 . 1 . . 115 . . 45 GLU N . 26986 1 559 . 1 1 46 46 GLN H H 1 7.685 0.004 . 1 . . 176 . . 46 GLN H . 26986 1 560 . 1 1 46 46 GLN HA H 1 4.156 0.014 . 1 . . 568 . . 46 GLN HA . 26986 1 561 . 1 1 46 46 GLN HB2 H 1 2.070 0.007 . 2 . . 569 . . 46 GLN HB2 . 26986 1 562 . 1 1 46 46 GLN HB3 H 1 2.182 . . 2 . . 1201 . . 46 GLN HB3 . 26986 1 563 . 1 1 46 46 GLN HG2 H 1 2.454 . . 2 . . 1199 . . 46 GLN HG2 . 26986 1 564 . 1 1 46 46 GLN HG3 H 1 2.455 . . 1 . . 1197 . . 46 GLN HG3 . 26986 1 565 . 1 1 46 46 GLN HE21 H 1 7.197 . . 1 . . 42 . . 46 GLN HE21 . 26986 1 566 . 1 1 46 46 GLN HE22 H 1 7.844 . . 1 . . 154 . . 46 GLN HE22 . 26986 1 567 . 1 1 46 46 GLN C C 13 178.800 . . 1 . . 999 . . 46 GLN C . 26986 1 568 . 1 1 46 46 GLN CA C 13 58.800 0.079 . 1 . . 451 . . 46 GLN CA . 26986 1 569 . 1 1 46 46 GLN CB C 13 31.993 0.096 . 1 . . 450 . . 46 GLN CB . 26986 1 570 . 1 1 46 46 GLN CG C 13 30.385 0.012 . 1 . . 1198 . . 46 GLN CG . 26986 1 571 . 1 1 46 46 GLN N N 15 118.658 0.026 . 1 . . 177 . . 46 GLN N . 26986 1 572 . 1 1 46 46 GLN NE2 N 15 112.741 0.003 . 1 . . 43 . . 46 GLN NE2 . 26986 1 573 . 1 1 47 47 TYR H H 1 7.539 0.007 . 1 . . 53 . . 47 TYR H . 26986 1 574 . 1 1 47 47 TYR HA H 1 4.533 0.031 . 1 . . 1140 . . 47 TYR HA . 26986 1 575 . 1 1 47 47 TYR HD1 H 1 7.447 . . 1 . . 1339 . . 47 TYR HD1 . 26986 1 576 . 1 1 47 47 TYR HD2 H 1 7.447 . . 1 . . 1339 . . 47 TYR HD2 . 26986 1 577 . 1 1 47 47 TYR HE1 H 1 6.654 . . 1 . . 1333 . . 47 TYR HE1 . 26986 1 578 . 1 1 47 47 TYR HE2 H 1 6.654 . . 1 . . 1333 . . 47 TYR HE2 . 26986 1 579 . 1 1 47 47 TYR CA C 13 57.591 0.009 . 1 . . 499 . . 47 TYR CA . 26986 1 580 . 1 1 47 47 TYR CB C 13 39.283 . . 1 . . 498 . . 47 TYR CB . 26986 1 581 . 1 1 47 47 TYR CD1 C 13 132.658 . . 1 . . 1340 . . 47 TYR CD1 . 26986 1 582 . 1 1 47 47 TYR CD2 C 13 132.658 . . 1 . . 1340 . . 47 TYR CD2 . 26986 1 583 . 1 1 47 47 TYR CE1 C 13 117.089 . . 1 . . 1334 . . 47 TYR CE1 . 26986 1 584 . 1 1 47 47 TYR CE2 C 13 117.089 . . 1 . . 1334 . . 47 TYR CE2 . 26986 1 585 . 1 1 47 47 TYR N N 15 116.228 0.07 . 1 . . 54 . . 47 TYR N . 26986 1 586 . 1 1 48 48 PRO HA H 1 4.857 0.001 . 1 . . 566 . . 48 PRO HA . 26986 1 587 . 1 1 48 48 PRO HB2 H 1 2.180 0.02 . 1 . . 717 . . 48 PRO HB2 . 26986 1 588 . 1 1 48 48 PRO HB3 H 1 2.180 0.02 . 1 . . 567 . . 48 PRO HB3 . 26986 1 589 . 1 1 48 48 PRO HG2 H 1 2.086 . . 2 . . 1308 . . 48 PRO HG2 . 26986 1 590 . 1 1 48 48 PRO HG3 H 1 1.972 . . 2 . . 1310 . . 48 PRO HG3 . 26986 1 591 . 1 1 48 48 PRO HD2 H 1 3.716 . . 2 . . 1311 . . 48 PRO HD2 . 26986 1 592 . 1 1 48 48 PRO HD3 H 1 3.644 . . 2 . . 1313 . . 48 PRO HD3 . 26986 1 593 . 1 1 48 48 PRO C C 13 177.456 . . 1 . . 1000 . . 48 PRO C . 26986 1 594 . 1 1 48 48 PRO CA C 13 64.056 0.04 . 1 . . 352 . . 48 PRO CA . 26986 1 595 . 1 1 48 48 PRO CB C 13 31.599 0.097 . 1 . . 351 . . 48 PRO CB . 26986 1 596 . 1 1 48 48 PRO CG C 13 27.562 0.004 . 1 . . 1309 . . 48 PRO CG . 26986 1 597 . 1 1 48 48 PRO CD C 13 50.450 0.022 . 1 . . 1312 . . 48 PRO CD . 26986 1 598 . 1 1 49 49 GLN H H 1 9.823 0.002 . 1 . . 83 . . 49 GLN H . 26986 1 599 . 1 1 49 49 GLN HA H 1 4.486 0.008 . 1 . . 563 . . 49 GLN HA . 26986 1 600 . 1 1 49 49 GLN HB2 H 1 2.285 0.031 . 2 . . 718 . . 49 GLN HB2 . 26986 1 601 . 1 1 49 49 GLN HB3 H 1 2.186 . . 2 . . 1203 . . 49 GLN HB3 . 26986 1 602 . 1 1 49 49 GLN HG2 H 1 2.722 0.033 . 1 . . 819 . . 49 GLN HG2 . 26986 1 603 . 1 1 49 49 GLN HG3 H 1 2.722 0.033 . 1 . . 818 . . 49 GLN HG3 . 26986 1 604 . 1 1 49 49 GLN HE21 H 1 7.922 . . 1 . . 36 . . 49 GLN HE21 . 26986 1 605 . 1 1 49 49 GLN HE22 H 1 7.728 . . 1 . . 148 . . 49 GLN HE22 . 26986 1 606 . 1 1 49 49 GLN C C 13 174.928 . . 1 . . 1001 . . 49 GLN C . 26986 1 607 . 1 1 49 49 GLN CA C 13 56.358 0.108 . 1 . . 339 . . 49 GLN CA . 26986 1 608 . 1 1 49 49 GLN CB C 13 27.596 0.042 . 1 . . 340 . . 49 GLN CB . 26986 1 609 . 1 1 49 49 GLN CG C 13 32.391 0.717 . 1 . . 820 . . 49 GLN CG . 26986 1 610 . 1 1 49 49 GLN N N 15 119.152 0.064 . 1 . . 84 . . 49 GLN N . 26986 1 611 . 1 1 49 49 GLN NE2 N 15 111.660 0.007 . 1 . . 149 . . 49 GLN NE2 . 26986 1 612 . 1 1 50 50 ALA H H 1 8.383 0.003 . 1 . . 162 . . 50 ALA H . 26986 1 613 . 1 1 50 50 ALA HA H 1 5.188 0.021 . 1 . . 561 . . 50 ALA HA . 26986 1 614 . 1 1 50 50 ALA HB1 H 1 1.326 0.011 . 1 . . 562 . . 50 ALA HB1 . 26986 1 615 . 1 1 50 50 ALA HB2 H 1 1.326 0.011 . 1 . . 562 . . 50 ALA HB2 . 26986 1 616 . 1 1 50 50 ALA HB3 H 1 1.326 0.011 . 1 . . 562 . . 50 ALA HB3 . 26986 1 617 . 1 1 50 50 ALA C C 13 175.184 . . 1 . . 1002 . . 50 ALA C . 26986 1 618 . 1 1 50 50 ALA CA C 13 50.216 0.183 . 1 . . 332 . . 50 ALA CA . 26986 1 619 . 1 1 50 50 ALA CB C 13 22.200 0.05 . 1 . . 333 . . 50 ALA CB . 26986 1 620 . 1 1 50 50 ALA N N 15 127.303 0.163 . 1 . . 163 . . 50 ALA N . 26986 1 621 . 1 1 51 51 ASP H H 1 8.699 0.009 . 1 . . 71 . . 51 ASP H . 26986 1 622 . 1 1 51 51 ASP HA H 1 5.223 . . 1 . . 1157 . . 51 ASP HA . 26986 1 623 . 1 1 51 51 ASP HB2 H 1 2.782 . . 1 . . 719 . . 51 ASP HB2 . 26986 1 624 . 1 1 51 51 ASP HB3 H 1 2.650 . . 2 . . 1191 . . 51 ASP HB3 . 26986 1 625 . 1 1 51 51 ASP C C 13 174.634 . . 1 . . 1003 . . 51 ASP C . 26986 1 626 . 1 1 51 51 ASP CA C 13 53.064 0.07 . 1 . . 334 . . 51 ASP CA . 26986 1 627 . 1 1 51 51 ASP CB C 13 44.329 0.086 . 1 . . 335 . . 51 ASP CB . 26986 1 628 . 1 1 51 51 ASP N N 15 120.092 0.036 . 1 . . 72 . . 51 ASP N . 26986 1 629 . 1 1 52 52 PHE H H 1 9.154 0.004 . 1 . . 112 . . 52 PHE H . 26986 1 630 . 1 1 52 52 PHE HA H 1 5.256 0.009 . 1 . . 556 . . 52 PHE HA . 26986 1 631 . 1 1 52 52 PHE HB2 H 1 3.399 0.025 . 2 . . 557 . . 52 PHE HB2 . 26986 1 632 . 1 1 52 52 PHE HB3 H 1 2.698 0.02 . 2 . . 558 . . 52 PHE HB3 . 26986 1 633 . 1 1 52 52 PHE HD1 H 1 6.887 . . 1 . . 1355 . . 52 PHE HD1 . 26986 1 634 . 1 1 52 52 PHE HD2 H 1 6.887 . . 1 . . 1355 . . 52 PHE HD2 . 26986 1 635 . 1 1 52 52 PHE HE1 H 1 6.887 . . 1 . . 1357 . . 52 PHE HE1 . 26986 1 636 . 1 1 52 52 PHE HE2 H 1 6.887 . . 1 . . 1357 . . 52 PHE HE2 . 26986 1 637 . 1 1 52 52 PHE HZ H 1 7.309 . . 1 . . 1379 . . 52 PHE HZ . 26986 1 638 . 1 1 52 52 PHE C C 13 174.656 . . 1 . . 1004 . . 52 PHE C . 26986 1 639 . 1 1 52 52 PHE CA C 13 56.720 0.096 . 1 . . 337 . . 52 PHE CA . 26986 1 640 . 1 1 52 52 PHE CB C 13 41.269 0.098 . 1 . . 336 . . 52 PHE CB . 26986 1 641 . 1 1 52 52 PHE CD1 C 13 131.324 . . 1 . . 1356 . . 52 PHE CD1 . 26986 1 642 . 1 1 52 52 PHE CD2 C 13 131.324 . . 1 . . 1356 . . 52 PHE CD2 . 26986 1 643 . 1 1 52 52 PHE CE1 C 13 132.344 . . 1 . . 1358 . . 52 PHE CE1 . 26986 1 644 . 1 1 52 52 PHE CE2 C 13 132.344 . . 1 . . 1358 . . 52 PHE CE2 . 26986 1 645 . 1 1 52 52 PHE CZ C 13 131.659 . . 1 . . 1380 . . 52 PHE CZ . 26986 1 646 . 1 1 52 52 PHE N N 15 120.680 0.058 . 1 . . 113 . . 52 PHE N . 26986 1 647 . 1 1 53 53 TYR H H 1 9.620 0.005 . 1 . . 132 . . 53 TYR H . 26986 1 648 . 1 1 53 53 TYR HA H 1 5.662 0.004 . 1 . . 720 . . 53 TYR HA . 26986 1 649 . 1 1 53 53 TYR HB2 H 1 2.284 0.006 . 1 . . 721 . . 53 TYR HB2 . 26986 1 650 . 1 1 53 53 TYR HB3 H 1 2.291 . . 2 . . 1316 . . 53 TYR HB3 . 26986 1 651 . 1 1 53 53 TYR HD1 H 1 6.333 . . 1 . . 1351 . . 53 TYR HD1 . 26986 1 652 . 1 1 53 53 TYR HD2 H 1 6.333 . . 1 . . 1351 . . 53 TYR HD2 . 26986 1 653 . 1 1 53 53 TYR HE1 H 1 6.545 . . 1 . . 1335 . . 53 TYR HE1 . 26986 1 654 . 1 1 53 53 TYR HE2 H 1 6.545 . . 1 . . 1335 . . 53 TYR HE2 . 26986 1 655 . 1 1 53 53 TYR C C 13 174.629 . . 1 . . 1005 . . 53 TYR C . 26986 1 656 . 1 1 53 53 TYR CA C 13 55.793 0.238 . 1 . . 353 . . 53 TYR CA . 26986 1 657 . 1 1 53 53 TYR CB C 13 46.107 0.049 . 1 . . 338 . . 53 TYR CB . 26986 1 658 . 1 1 53 53 TYR CD1 C 13 133.618 . . 1 . . 1352 . . 53 TYR CD1 . 26986 1 659 . 1 1 53 53 TYR CD2 C 13 133.618 . . 1 . . 1352 . . 53 TYR CD2 . 26986 1 660 . 1 1 53 53 TYR CE1 C 13 117.548 . . 1 . . 1336 . . 53 TYR CE1 . 26986 1 661 . 1 1 53 53 TYR CE2 C 13 117.548 . . 1 . . 1336 . . 53 TYR CE2 . 26986 1 662 . 1 1 53 53 TYR N N 15 121.419 0.053 . 1 . . 133 . . 53 TYR N . 26986 1 663 . 1 1 54 54 LYS H H 1 8.705 0.006 . 1 . . 33 . . 54 LYS H . 26986 1 664 . 1 1 54 54 LYS HA H 1 5.567 0.004 . 1 . . 554 . . 54 LYS HA . 26986 1 665 . 1 1 54 54 LYS HB2 H 1 1.832 0.01 . 1 . . 555 . . 54 LYS HB2 . 26986 1 666 . 1 1 54 54 LYS HB3 H 1 1.832 0.01 . 1 . . 723 . . 54 LYS HB3 . 26986 1 667 . 1 1 54 54 LYS HG2 H 1 1.501 . . 1 . . 1264 . . 54 LYS HG2 . 26986 1 668 . 1 1 54 54 LYS HG3 H 1 1.501 . . 1 . . 1266 . . 54 LYS HG3 . 26986 1 669 . 1 1 54 54 LYS HD2 H 1 1.686 . . 1 . . 1261 . . 54 LYS HD2 . 26986 1 670 . 1 1 54 54 LYS HD3 H 1 1.686 . . 1 . . 1263 . . 54 LYS HD3 . 26986 1 671 . 1 1 54 54 LYS HE2 H 1 3.102 0.033 . 1 . . 827 . . 54 LYS HE2 . 26986 1 672 . 1 1 54 54 LYS HE3 H 1 3.102 0.033 . 1 . . 826 . . 54 LYS HE3 . 26986 1 673 . 1 1 54 54 LYS C C 13 173.353 . . 1 . . 1006 . . 54 LYS C . 26986 1 674 . 1 1 54 54 LYS CA C 13 53.911 0.158 . 1 . . 355 . . 54 LYS CA . 26986 1 675 . 1 1 54 54 LYS CB C 13 35.330 0.075 . 1 . . 354 . . 54 LYS CB . 26986 1 676 . 1 1 54 54 LYS CG C 13 26.340 . . 1 . . 1265 . . 54 LYS CG . 26986 1 677 . 1 1 54 54 LYS CD C 13 28.560 . . 1 . . 1262 . . 54 LYS CD . 26986 1 678 . 1 1 54 54 LYS CE C 13 41.669 . . 1 . . 828 . . 54 LYS CE . 26986 1 679 . 1 1 54 54 LYS N N 15 116.762 0.062 . 1 . . 34 . . 54 LYS N . 26986 1 680 . 1 1 55 55 LEU H H 1 9.289 0.004 . 1 . . 263 . . 55 LEU H . 26986 1 681 . 1 1 55 55 LEU HA H 1 4.582 0.021 . 1 . . 552 . . 55 LEU HA . 26986 1 682 . 1 1 55 55 LEU HB2 H 1 1.195 0.03 . 2 . . 724 . . 55 LEU HB2 . 26986 1 683 . 1 1 55 55 LEU HB3 H 1 1.124 . . 2 . . 1219 . . 55 LEU HB3 . 26986 1 684 . 1 1 55 55 LEU HG H 1 1.471 . . 1 . . 1221 . . 55 LEU HG . 26986 1 685 . 1 1 55 55 LEU HD11 H 1 0.697 0.009 . 2 . . 821 . . 55 LEU HD11 . 26986 1 686 . 1 1 55 55 LEU HD12 H 1 0.697 0.009 . 2 . . 821 . . 55 LEU HD12 . 26986 1 687 . 1 1 55 55 LEU HD13 H 1 0.697 0.009 . 2 . . 821 . . 55 LEU HD13 . 26986 1 688 . 1 1 55 55 LEU HD21 H 1 0.563 0.011 . 2 . . 822 . . 55 LEU HD21 . 26986 1 689 . 1 1 55 55 LEU HD22 H 1 0.563 0.011 . 2 . . 822 . . 55 LEU HD22 . 26986 1 690 . 1 1 55 55 LEU HD23 H 1 0.563 0.011 . 2 . . 822 . . 55 LEU HD23 . 26986 1 691 . 1 1 55 55 LEU C C 13 171.824 . . 1 . . 1007 . . 55 LEU C . 26986 1 692 . 1 1 55 55 LEU CA C 13 55.618 0.141 . 1 . . 378 . . 55 LEU CA . 26986 1 693 . 1 1 55 55 LEU CB C 13 46.019 0.177 . 1 . . 379 . . 55 LEU CB . 26986 1 694 . 1 1 55 55 LEU CG C 13 23.999 . . 1 . . 1222 . . 55 LEU CG . 26986 1 695 . 1 1 55 55 LEU CD1 C 13 24.018 . . 2 . . 824 . . 55 LEU CD1 . 26986 1 696 . 1 1 55 55 LEU CD2 C 13 27.109 0.088 . 2 . . 823 . . 55 LEU CD2 . 26986 1 697 . 1 1 55 55 LEU N N 15 125.011 0.045 . 1 . . 264 . . 55 LEU N . 26986 1 698 . 1 1 56 56 ASP H H 1 8.739 0.005 . 1 . . 247 . . 56 ASP H . 26986 1 699 . 1 1 56 56 ASP HA H 1 3.942 0.033 . 1 . . 549 . . 56 ASP HA . 26986 1 700 . 1 1 56 56 ASP HB2 H 1 2.774 0.002 . 2 . . 550 . . 56 ASP HB2 . 26986 1 701 . 1 1 56 56 ASP HB3 H 1 2.274 0.048 . 2 . . 551 . . 56 ASP HB3 . 26986 1 702 . 1 1 56 56 ASP C C 13 178.330 . . 1 . . 1008 . . 56 ASP C . 26986 1 703 . 1 1 56 56 ASP CA C 13 52.105 0.127 . 1 . . 381 . . 56 ASP CA . 26986 1 704 . 1 1 56 56 ASP CB C 13 39.984 0.091 . 1 . . 380 . . 56 ASP CB . 26986 1 705 . 1 1 56 56 ASP N N 15 126.726 0.048 . 1 . . 248 . . 56 ASP N . 26986 1 706 . 1 1 57 57 VAL H H 1 8.940 0.004 . 1 . . 192 . . 57 VAL H . 26986 1 707 . 1 1 57 57 VAL HA H 1 3.564 0.01 . 1 . . 547 . . 57 VAL HA . 26986 1 708 . 1 1 57 57 VAL HB H 1 2.307 0.005 . 1 . . 548 . . 57 VAL HB . 26986 1 709 . 1 1 57 57 VAL HG11 H 1 1.165 0.008 . 2 . . 814 . . 57 VAL HG11 . 26986 1 710 . 1 1 57 57 VAL HG12 H 1 1.165 0.008 . 2 . . 814 . . 57 VAL HG12 . 26986 1 711 . 1 1 57 57 VAL HG13 H 1 1.165 0.008 . 2 . . 814 . . 57 VAL HG13 . 26986 1 712 . 1 1 57 57 VAL HG21 H 1 0.974 0.007 . 2 . . 815 . . 57 VAL HG21 . 26986 1 713 . 1 1 57 57 VAL HG22 H 1 0.974 0.007 . 2 . . 815 . . 57 VAL HG22 . 26986 1 714 . 1 1 57 57 VAL HG23 H 1 0.974 0.007 . 2 . . 815 . . 57 VAL HG23 . 26986 1 715 . 1 1 57 57 VAL C C 13 176.255 . . 1 . . 1009 . . 57 VAL C . 26986 1 716 . 1 1 57 57 VAL CA C 13 64.575 0.088 . 1 . . 383 . . 57 VAL CA . 26986 1 717 . 1 1 57 57 VAL CB C 13 31.028 0.122 . 1 . . 382 . . 57 VAL CB . 26986 1 718 . 1 1 57 57 VAL CG1 C 13 22.296 0.013 . 2 . . 816 . . 57 VAL CG1 . 26986 1 719 . 1 1 57 57 VAL CG2 C 13 18.390 . . 2 . . 817 . . 57 VAL CG2 . 26986 1 720 . 1 1 57 57 VAL N N 15 123.295 0.089 . 1 . . 193 . . 57 VAL N . 26986 1 721 . 1 1 58 58 ASP H H 1 8.822 0.004 . 1 . . 77 . . 58 ASP H . 26986 1 722 . 1 1 58 58 ASP HA H 1 4.830 0.015 . 1 . . 545 . . 58 ASP HA . 26986 1 723 . 1 1 58 58 ASP HB2 H 1 2.842 0.01 . 1 . . 725 . . 58 ASP HB2 . 26986 1 724 . 1 1 58 58 ASP HB3 H 1 2.843 0.012 . 1 . . 546 . . 58 ASP HB3 . 26986 1 725 . 1 1 58 58 ASP C C 13 177.733 . . 1 . . 1010 . . 58 ASP C . 26986 1 726 . 1 1 58 58 ASP CA C 13 56.165 0.091 . 1 . . 385 . . 58 ASP CA . 26986 1 727 . 1 1 58 58 ASP CB C 13 40.388 0.091 . 1 . . 384 . . 58 ASP CB . 26986 1 728 . 1 1 58 58 ASP N N 15 119.046 0.07 . 1 . . 78 . . 58 ASP N . 26986 1 729 . 1 1 59 59 GLU H H 1 7.778 0.004 . 1 . . 257 . . 59 GLU H . 26986 1 730 . 1 1 59 59 GLU HA H 1 4.464 0.013 . 1 . . 543 . . 59 GLU HA . 26986 1 731 . 1 1 59 59 GLU HB2 H 1 2.211 0.005 . 1 . . 726 . . 59 GLU HB2 . 26986 1 732 . 1 1 59 59 GLU HB3 H 1 2.211 0.005 . 1 . . 544 . . 59 GLU HB3 . 26986 1 733 . 1 1 59 59 GLU HG2 H 1 2.311 . . 1 . . 1136 . . 59 GLU HG2 . 26986 1 734 . 1 1 59 59 GLU HG3 H 1 2.311 . . 1 . . 1138 . . 59 GLU HG3 . 26986 1 735 . 1 1 59 59 GLU C C 13 177.161 . . 1 . . 1011 . . 59 GLU C . 26986 1 736 . 1 1 59 59 GLU CA C 13 57.279 0.144 . 1 . . 387 . . 59 GLU CA . 26986 1 737 . 1 1 59 59 GLU CB C 13 31.388 0.12 . 1 . . 386 . . 59 GLU CB . 26986 1 738 . 1 1 59 59 GLU CG C 13 35.801 0.013 . 1 . . 1137 . . 59 GLU CG . 26986 1 739 . 1 1 59 59 GLU N N 15 120.110 0.058 . 1 . . 258 . . 59 GLU N . 26986 1 740 . 1 1 60 60 LEU H H 1 7.880 0.006 . 1 . . 261 . . 60 LEU H . 26986 1 741 . 1 1 60 60 LEU HA H 1 5.049 0.011 . 1 . . 541 . . 60 LEU HA . 26986 1 742 . 1 1 60 60 LEU HB2 H 1 1.397 0.002 . 2 . . 808 . . 60 LEU HB2 . 26986 1 743 . 1 1 60 60 LEU HB3 H 1 1.504 0.008 . 2 . . 809 . . 60 LEU HB3 . 26986 1 744 . 1 1 60 60 LEU HG H 1 1.292 . . 1 . . 1223 . . 60 LEU HG . 26986 1 745 . 1 1 60 60 LEU HD11 H 1 0.847 0.009 . 2 . . 810 . . 60 LEU HD11 . 26986 1 746 . 1 1 60 60 LEU HD12 H 1 0.847 0.009 . 2 . . 810 . . 60 LEU HD12 . 26986 1 747 . 1 1 60 60 LEU HD13 H 1 0.847 0.009 . 2 . . 810 . . 60 LEU HD13 . 26986 1 748 . 1 1 60 60 LEU HD21 H 1 0.602 0.017 . 2 . . 811 . . 60 LEU HD21 . 26986 1 749 . 1 1 60 60 LEU HD22 H 1 0.602 0.017 . 2 . . 811 . . 60 LEU HD22 . 26986 1 750 . 1 1 60 60 LEU HD23 H 1 0.602 0.017 . 2 . . 811 . . 60 LEU HD23 . 26986 1 751 . 1 1 60 60 LEU C C 13 177.132 . . 1 . . 1012 . . 60 LEU C . 26986 1 752 . 1 1 60 60 LEU CA C 13 52.247 0.167 . 1 . . 365 . . 60 LEU CA . 26986 1 753 . 1 1 60 60 LEU CB C 13 41.502 0.134 . 1 . . 364 . . 60 LEU CB . 26986 1 754 . 1 1 60 60 LEU CG C 13 25.402 . . 1 . . 1224 . . 60 LEU CG . 26986 1 755 . 1 1 60 60 LEU CD1 C 13 23.680 0.043 . 2 . . 812 . . 60 LEU CD1 . 26986 1 756 . 1 1 60 60 LEU CD2 C 13 25.787 0.004 . 2 . . 813 . . 60 LEU CD2 . 26986 1 757 . 1 1 60 60 LEU N N 15 121.579 0.043 . 1 . . 262 . . 60 LEU N . 26986 1 758 . 1 1 61 61 GLY H H 1 8.462 0.002 . 1 . . 13 . . 61 GLY H . 26986 1 759 . 1 1 61 61 GLY HA2 H 1 4.079 0.014 . 2 . . 685 . . 61 GLY HA2 . 26986 1 760 . 1 1 61 61 GLY HA3 H 1 4.159 0.113 . 2 . . 728 . . 61 GLY HA3 . 26986 1 761 . 1 1 61 61 GLY C C 13 176.439 . . 1 . . 1013 . . 61 GLY C . 26986 1 762 . 1 1 61 61 GLY CA C 13 48.284 0.054 . 1 . . 4 . . 61 GLY CA . 26986 1 763 . 1 1 61 61 GLY N N 15 111.060 0.045 . 1 . . 14 . . 61 GLY N . 26986 1 764 . 1 1 62 62 ASP H H 1 9.365 0.004 . 1 . . 44 . . 62 ASP H . 26986 1 765 . 1 1 62 62 ASP HA H 1 4.407 0.021 . 1 . . 730 . . 62 ASP HA . 26986 1 766 . 1 1 62 62 ASP HB2 H 1 2.707 0.004 . 2 . . 953 . . 62 ASP HB2 . 26986 1 767 . 1 1 62 62 ASP HB3 H 1 2.575 0.003 . 2 . . 954 . . 62 ASP HB3 . 26986 1 768 . 1 1 62 62 ASP C C 13 180.229 . . 1 . . 1014 . . 62 ASP C . 26986 1 769 . 1 1 62 62 ASP CA C 13 56.592 0.136 . 1 . . 367 . . 62 ASP CA . 26986 1 770 . 1 1 62 62 ASP CB C 13 39.068 0.088 . 1 . . 366 . . 62 ASP CB . 26986 1 771 . 1 1 62 62 ASP N N 15 119.939 0.032 . 1 . . 45 . . 62 ASP N . 26986 1 772 . 1 1 63 63 VAL H H 1 7.455 0.009 . 1 . . 253 . . 63 VAL H . 26986 1 773 . 1 1 63 63 VAL HA H 1 3.438 0.017 . 1 . . 537 . . 63 VAL HA . 26986 1 774 . 1 1 63 63 VAL HB H 1 1.979 0.018 . 1 . . 538 . . 63 VAL HB . 26986 1 775 . 1 1 63 63 VAL HG11 H 1 0.750 0.009 . 2 . . 803 . . 63 VAL HG11 . 26986 1 776 . 1 1 63 63 VAL HG12 H 1 0.750 0.009 . 2 . . 803 . . 63 VAL HG12 . 26986 1 777 . 1 1 63 63 VAL HG13 H 1 0.750 0.009 . 2 . . 803 . . 63 VAL HG13 . 26986 1 778 . 1 1 63 63 VAL HG21 H 1 -0.191 0.019 . 2 . . 804 . . 63 VAL HG21 . 26986 1 779 . 1 1 63 63 VAL HG22 H 1 -0.191 0.019 . 2 . . 804 . . 63 VAL HG22 . 26986 1 780 . 1 1 63 63 VAL HG23 H 1 -0.191 0.019 . 2 . . 804 . . 63 VAL HG23 . 26986 1 781 . 1 1 63 63 VAL C C 13 179.311 . . 1 . . 1015 . . 63 VAL C . 26986 1 782 . 1 1 63 63 VAL CA C 13 65.418 0.169 . 1 . . 410 . . 63 VAL CA . 26986 1 783 . 1 1 63 63 VAL CB C 13 31.140 0.178 . 1 . . 409 . . 63 VAL CB . 26986 1 784 . 1 1 63 63 VAL CG1 C 13 20.360 0.059 . 2 . . 694 . . 63 VAL CG1 . 26986 1 785 . 1 1 63 63 VAL CG2 C 13 21.730 0.055 . 2 . . 693 . . 63 VAL CG2 . 26986 1 786 . 1 1 63 63 VAL N N 15 120.605 0.066 . 1 . . 254 . . 63 VAL N . 26986 1 787 . 1 1 64 64 ALA H H 1 7.468 0.005 . 1 . . 202 . . 64 ALA H . 26986 1 788 . 1 1 64 64 ALA HA H 1 3.924 0.019 . 1 . . 682 . . 64 ALA HA . 26986 1 789 . 1 1 64 64 ALA HB1 H 1 1.610 0.008 . 1 . . 683 . . 64 ALA HB1 . 26986 1 790 . 1 1 64 64 ALA HB2 H 1 1.610 0.008 . 1 . . 683 . . 64 ALA HB2 . 26986 1 791 . 1 1 64 64 ALA HB3 H 1 1.610 0.008 . 1 . . 683 . . 64 ALA HB3 . 26986 1 792 . 1 1 64 64 ALA C C 13 178.595 . . 1 . . 1016 . . 64 ALA C . 26986 1 793 . 1 1 64 64 ALA CA C 13 55.957 0.162 . 1 . . 347 . . 64 ALA CA . 26986 1 794 . 1 1 64 64 ALA CB C 13 17.664 0.032 . 1 . . 348 . . 64 ALA CB . 26986 1 795 . 1 1 64 64 ALA N N 15 122.583 0.037 . 1 . . 203 . . 64 ALA N . 26986 1 796 . 1 1 65 65 GLN H H 1 8.487 0.004 . 1 . . 170 . . 65 GLN H . 26986 1 797 . 1 1 65 65 GLN HA H 1 4.127 0.009 . 1 . . 686 . . 65 GLN HA . 26986 1 798 . 1 1 65 65 GLN HB2 H 1 2.183 0.021 . 1 . . 731 . . 65 GLN HB2 . 26986 1 799 . 1 1 65 65 GLN HB3 H 1 2.186 0.02 . 1 . . 687 . . 65 GLN HB3 . 26986 1 800 . 1 1 65 65 GLN HG2 H 1 2.485 0.045 . 2 . . 801 . . 65 GLN HG2 . 26986 1 801 . 1 1 65 65 GLN HG3 H 1 2.447 0.051 . 2 . . 952 . . 65 GLN HG3 . 26986 1 802 . 1 1 65 65 GLN HE21 H 1 8.324 . . 1 . . 128 . . 65 GLN HE21 . 26986 1 803 . 1 1 65 65 GLN HE22 H 1 7.294 . . 1 . . 140 . . 65 GLN HE22 . 26986 1 804 . 1 1 65 65 GLN C C 13 180.578 . . 1 . . 1017 . . 65 GLN C . 26986 1 805 . 1 1 65 65 GLN CA C 13 59.144 0.159 . 1 . . 402 . . 65 GLN CA . 26986 1 806 . 1 1 65 65 GLN CB C 13 28.188 0.036 . 1 . . 403 . . 65 GLN CB . 26986 1 807 . 1 1 65 65 GLN CG C 13 32.562 0.724 . 1 . . 800 . . 65 GLN CG . 26986 1 808 . 1 1 65 65 GLN N N 15 117.670 0.037 . 1 . . 171 . . 65 GLN N . 26986 1 809 . 1 1 65 65 GLN NE2 N 15 115.986 0.001 . 1 . . 141 . . 65 GLN NE2 . 26986 1 810 . 1 1 66 66 LYS H H 1 8.135 0.003 . 1 . . 46 . . 66 LYS H . 26986 1 811 . 1 1 66 66 LYS HA H 1 4.156 0.025 . 1 . . 535 . . 66 LYS HA . 26986 1 812 . 1 1 66 66 LYS HB2 H 1 1.959 0.016 . 1 . . 536 . . 66 LYS HB2 . 26986 1 813 . 1 1 66 66 LYS HB3 H 1 1.959 0.016 . 1 . . 732 . . 66 LYS HB3 . 26986 1 814 . 1 1 66 66 LYS HG2 H 1 1.558 0.006 . 1 . . 948 . . 66 LYS HG2 . 26986 1 815 . 1 1 66 66 LYS HG3 H 1 1.558 0.006 . 1 . . 947 . . 66 LYS HG3 . 26986 1 816 . 1 1 66 66 LYS HD2 H 1 1.784 . . 1 . . 1267 . . 66 LYS HD2 . 26986 1 817 . 1 1 66 66 LYS HD3 H 1 1.784 . . 1 . . 1269 . . 66 LYS HD3 . 26986 1 818 . 1 1 66 66 LYS HE2 H 1 3.006 . . 1 . . 1272 . . 66 LYS HE2 . 26986 1 819 . 1 1 66 66 LYS HE3 H 1 3.006 . . 1 . . 1270 . . 66 LYS HE3 . 26986 1 820 . 1 1 66 66 LYS C C 13 177.012 . . 1 . . 1018 . . 66 LYS C . 26986 1 821 . 1 1 66 66 LYS CA C 13 58.816 0.119 . 1 . . 411 . . 66 LYS CA . 26986 1 822 . 1 1 66 66 LYS CB C 13 32.133 0.052 . 1 . . 404 . . 66 LYS CB . 26986 1 823 . 1 1 66 66 LYS CG C 13 25.034 0.062 . 1 . . 946 . . 66 LYS CG . 26986 1 824 . 1 1 66 66 LYS CD C 13 29.061 . . 1 . . 1268 . . 66 LYS CD . 26986 1 825 . 1 1 66 66 LYS CE C 13 40.694 . . 1 . . 1271 . . 66 LYS CE . 26986 1 826 . 1 1 66 66 LYS N N 15 120.264 0.045 . 1 . . 47 . . 66 LYS N . 26986 1 827 . 1 1 67 67 ASN H H 1 7.276 0.004 . 1 . . 190 . . 67 ASN H . 26986 1 828 . 1 1 67 67 ASN HA H 1 4.796 0.013 . 1 . . 532 . . 67 ASN HA . 26986 1 829 . 1 1 67 67 ASN HB2 H 1 2.866 0.005 . 2 . . 533 . . 67 ASN HB2 . 26986 1 830 . 1 1 67 67 ASN HB3 H 1 2.733 . . 2 . . 1385 . . 67 ASN HB3 . 26986 1 831 . 1 1 67 67 ASN HD21 H 1 7.099 . . 1 . . 57 . . 67 ASN HD21 . 26986 1 832 . 1 1 67 67 ASN HD22 H 1 7.541 . . 1 . . 106 . . 67 ASN HD22 . 26986 1 833 . 1 1 67 67 ASN C C 13 171.572 . . 1 . . 1019 . . 67 ASN C . 26986 1 834 . 1 1 67 67 ASN CA C 13 54.009 0.145 . 1 . . 406 . . 67 ASN CA . 26986 1 835 . 1 1 67 67 ASN CB C 13 39.955 0.053 . 1 . . 405 . . 67 ASN CB . 26986 1 836 . 1 1 67 67 ASN N N 15 114.711 0.059 . 1 . . 191 . . 67 ASN N . 26986 1 837 . 1 1 67 67 ASN ND2 N 15 111.335 0.004 . 1 . . 58 . . 67 ASN ND2 . 26986 1 838 . 1 1 68 68 GLU H H 1 7.926 0.005 . 1 . . 146 . . 68 GLU H . 26986 1 839 . 1 1 68 68 GLU HA H 1 3.827 0.012 . 1 . . 530 . . 68 GLU HA . 26986 1 840 . 1 1 68 68 GLU HB2 H 1 2.095 0.046 . 1 . . 531 . . 68 GLU HB2 . 26986 1 841 . 1 1 68 68 GLU HB3 H 1 2.095 0.046 . 1 . . 733 . . 68 GLU HB3 . 26986 1 842 . 1 1 68 68 GLU HG2 H 1 2.169 0.012 . 1 . . 942 . . 68 GLU HG2 . 26986 1 843 . 1 1 68 68 GLU HG3 H 1 2.161 0.002 . 1 . . 943 . . 68 GLU HG3 . 26986 1 844 . 1 1 68 68 GLU C C 13 175.686 . . 1 . . 1020 . . 68 GLU C . 26986 1 845 . 1 1 68 68 GLU CA C 13 56.953 0.056 . 1 . . 407 . . 68 GLU CA . 26986 1 846 . 1 1 68 68 GLU CB C 13 26.693 0.096 . 1 . . 408 . . 68 GLU CB . 26986 1 847 . 1 1 68 68 GLU CG C 13 36.447 0.015 . 1 . . 945 . . 68 GLU CG . 26986 1 848 . 1 1 68 68 GLU N N 15 114.482 0.051 . 1 . . 147 . . 68 GLU N . 26986 1 849 . 1 1 69 69 VAL H H 1 7.959 0.005 . 1 . . 229 . . 69 VAL H . 26986 1 850 . 1 1 69 69 VAL HA H 1 4.014 . . 1 . . 1080 . . 69 VAL HA . 26986 1 851 . 1 1 69 69 VAL HB H 1 2.075 . . 1 . . 1082 . . 69 VAL HB . 26986 1 852 . 1 1 69 69 VAL HG11 H 1 0.649 . . 2 . . 1083 . . 69 VAL HG11 . 26986 1 853 . 1 1 69 69 VAL HG12 H 1 0.649 . . 2 . . 1083 . . 69 VAL HG12 . 26986 1 854 . 1 1 69 69 VAL HG13 H 1 0.649 . . 2 . . 1083 . . 69 VAL HG13 . 26986 1 855 . 1 1 69 69 VAL HG21 H 1 -0.063 . . 2 . . 1085 . . 69 VAL HG21 . 26986 1 856 . 1 1 69 69 VAL HG22 H 1 -0.063 . . 2 . . 1085 . . 69 VAL HG22 . 26986 1 857 . 1 1 69 69 VAL HG23 H 1 -0.063 . . 2 . . 1085 . . 69 VAL HG23 . 26986 1 858 . 1 1 69 69 VAL C C 13 175.531 . . 1 . . 1021 . . 69 VAL C . 26986 1 859 . 1 1 69 69 VAL CA C 13 63.106 0.243 . 1 . . 414 . . 69 VAL CA . 26986 1 860 . 1 1 69 69 VAL CB C 13 30.953 0.081 . 1 . . 413 . . 69 VAL CB . 26986 1 861 . 1 1 69 69 VAL CG1 C 13 20.220 . . 2 . . 1084 . . 69 VAL CG1 . 26986 1 862 . 1 1 69 69 VAL CG2 C 13 20.260 . . 2 . . 1086 . . 69 VAL CG2 . 26986 1 863 . 1 1 69 69 VAL N N 15 120.273 0.07 . 1 . . 230 . . 69 VAL N . 26986 1 864 . 1 1 70 70 SER H H 1 8.871 0.002 . 1 . . 168 . . 70 SER H . 26986 1 865 . 1 1 70 70 SER HA H 1 4.577 . . 1 . . 734 . . 70 SER HA . 26986 1 866 . 1 1 70 70 SER HB2 H 1 3.904 . . 1 . . 735 . . 70 SER HB2 . 26986 1 867 . 1 1 70 70 SER HB3 H 1 3.904 . . 1 . . 736 . . 70 SER HB3 . 26986 1 868 . 1 1 70 70 SER C C 13 172.993 . . 1 . . 1022 . . 70 SER C . 26986 1 869 . 1 1 70 70 SER CA C 13 57.942 . . 1 . . 400 . . 70 SER CA . 26986 1 870 . 1 1 70 70 SER CB C 13 64.898 . . 1 . . 401 . . 70 SER CB . 26986 1 871 . 1 1 70 70 SER N N 15 122.472 . . 1 . . 169 . . 70 SER N . 26986 1 872 . 1 1 71 71 ALA H H 1 8.064 0.002 . 1 . . 200 . . 71 ALA H . 26986 1 873 . 1 1 71 71 ALA HA H 1 4.621 0.01 . 1 . . 528 . . 71 ALA HA . 26986 1 874 . 1 1 71 71 ALA HB1 H 1 1.335 0.013 . 1 . . 529 . . 71 ALA HB1 . 26986 1 875 . 1 1 71 71 ALA HB2 H 1 1.335 0.013 . 1 . . 529 . . 71 ALA HB2 . 26986 1 876 . 1 1 71 71 ALA HB3 H 1 1.335 0.013 . 1 . . 529 . . 71 ALA HB3 . 26986 1 877 . 1 1 71 71 ALA C C 13 175.491 . . 1 . . 1023 . . 71 ALA C . 26986 1 878 . 1 1 71 71 ALA CA C 13 51.749 . . 1 . . 398 . . 71 ALA CA . 26986 1 879 . 1 1 71 71 ALA CB C 13 20.911 0.075 . 1 . . 396 . . 71 ALA CB . 26986 1 880 . 1 1 71 71 ALA N N 15 126.189 0.065 . 1 . . 201 . . 71 ALA N . 26986 1 881 . 1 1 72 72 MET H H 1 8.740 0.002 . 1 . . 124 . . 72 MET H . 26986 1 882 . 1 1 72 72 MET HA H 1 4.018 . . 1 . . 1284 . . 72 MET HA . 26986 1 883 . 1 1 72 72 MET HB2 H 1 2.245 . . 1 . . 1287 . . 72 MET HB2 . 26986 1 884 . 1 1 72 72 MET HG2 H 1 2.594 . . 2 . . 1281 . . 72 MET HG2 . 26986 1 885 . 1 1 72 72 MET HG3 H 1 2.594 . . 1 . . 1279 . . 72 MET HG3 . 26986 1 886 . 1 1 72 72 MET HE1 H 1 2.071 . . 1 . . 1109 . . 72 MET HE1 . 26986 1 887 . 1 1 72 72 MET HE2 H 1 2.071 . . 1 . . 1109 . . 72 MET HE2 . 26986 1 888 . 1 1 72 72 MET HE3 H 1 2.071 . . 1 . . 1109 . . 72 MET HE3 . 26986 1 889 . 1 1 72 72 MET CA C 13 51.646 0.115 . 1 . . 1058 . . 72 MET CA . 26986 1 890 . 1 1 72 72 MET CB C 13 35.386 0.077 . 1 . . 1057 . . 72 MET CB . 26986 1 891 . 1 1 72 72 MET CG C 13 31.539 0.006 . 1 . . 1280 . . 72 MET CG . 26986 1 892 . 1 1 72 72 MET CE C 13 16.587 . . 1 . . 1110 . . 72 MET CE . 26986 1 893 . 1 1 72 72 MET N N 15 119.146 0.055 . 1 . . 125 . . 72 MET N . 26986 1 894 . 1 1 73 73 PRO HA H 1 5.169 0.004 . 1 . . 526 . . 73 PRO HA . 26986 1 895 . 1 1 73 73 PRO HB2 H 1 2.974 0.014 . 1 . . 527 . . 73 PRO HB2 . 26986 1 896 . 1 1 73 73 PRO HB3 H 1 2.974 0.014 . 1 . . 737 . . 73 PRO HB3 . 26986 1 897 . 1 1 73 73 PRO C C 13 176.534 . . 1 . . 1024 . . 73 PRO C . 26986 1 898 . 1 1 73 73 PRO CA C 13 63.684 0.08 . 1 . . 326 . . 73 PRO CA . 26986 1 899 . 1 1 73 73 PRO CB C 13 34.935 0.027 . 1 . . 325 . . 73 PRO CB . 26986 1 900 . 1 1 74 74 THR H H 1 8.149 0.004 . 1 . . 108 . . 74 THR H . 26986 1 901 . 1 1 74 74 THR HA H 1 5.061 0.002 . 1 . . 1094 . . 74 THR HA . 26986 1 902 . 1 1 74 74 THR HB H 1 3.945 0.004 . 1 . . 1093 . . 74 THR HB . 26986 1 903 . 1 1 74 74 THR HG21 H 1 1.075 0.006 . 1 . . 1097 . . 74 THR HG21 . 26986 1 904 . 1 1 74 74 THR HG22 H 1 1.075 0.006 . 1 . . 1097 . . 74 THR HG22 . 26986 1 905 . 1 1 74 74 THR HG23 H 1 1.075 0.006 . 1 . . 1097 . . 74 THR HG23 . 26986 1 906 . 1 1 74 74 THR C C 13 171.060 . . 1 . . 1025 . . 74 THR C . 26986 1 907 . 1 1 74 74 THR CA C 13 63.698 0.1 . 1 . . 1092 . . 74 THR CA . 26986 1 908 . 1 1 74 74 THR CB C 13 73.155 0.007 . 1 . . 1091 . . 74 THR CB . 26986 1 909 . 1 1 74 74 THR CG2 C 13 21.658 . . 1 . . 1100 . . 74 THR CG2 . 26986 1 910 . 1 1 74 74 THR N N 15 115.360 0.025 . 1 . . 109 . . 74 THR N . 26986 1 911 . 1 1 75 75 LEU H H 1 9.534 0.003 . 1 . . 100 . . 75 LEU H . 26986 1 912 . 1 1 75 75 LEU HA H 1 5.701 0.015 . 1 . . 523 . . 75 LEU HA . 26986 1 913 . 1 1 75 75 LEU HB2 H 1 1.738 0.03 . 2 . . 521 . . 75 LEU HB2 . 26986 1 914 . 1 1 75 75 LEU HB3 H 1 1.697 0.031 . 2 . . 522 . . 75 LEU HB3 . 26986 1 915 . 1 1 75 75 LEU HG H 1 1.642 0.023 . 1 . . 680 . . 75 LEU HG . 26986 1 916 . 1 1 75 75 LEU HD11 H 1 0.971 0.02 . 2 . . 676 . . 75 LEU HD11 . 26986 1 917 . 1 1 75 75 LEU HD12 H 1 0.971 0.02 . 2 . . 676 . . 75 LEU HD12 . 26986 1 918 . 1 1 75 75 LEU HD13 H 1 0.971 0.02 . 2 . . 676 . . 75 LEU HD13 . 26986 1 919 . 1 1 75 75 LEU HD21 H 1 0.919 0.04 . 2 . . 677 . . 75 LEU HD21 . 26986 1 920 . 1 1 75 75 LEU HD22 H 1 0.919 0.04 . 2 . . 677 . . 75 LEU HD22 . 26986 1 921 . 1 1 75 75 LEU HD23 H 1 0.919 0.04 . 2 . . 677 . . 75 LEU HD23 . 26986 1 922 . 1 1 75 75 LEU C C 13 175.383 . . 1 . . 1026 . . 75 LEU C . 26986 1 923 . 1 1 75 75 LEU CA C 13 52.874 0.083 . 1 . . 315 . . 75 LEU CA . 26986 1 924 . 1 1 75 75 LEU CB C 13 43.785 0.075 . 1 . . 314 . . 75 LEU CB . 26986 1 925 . 1 1 75 75 LEU CG C 13 28.184 0.017 . 1 . . 681 . . 75 LEU CG . 26986 1 926 . 1 1 75 75 LEU CD1 C 13 26.115 0.083 . 2 . . 679 . . 75 LEU CD1 . 26986 1 927 . 1 1 75 75 LEU CD2 C 13 25.686 0.024 . 2 . . 678 . . 75 LEU CD2 . 26986 1 928 . 1 1 75 75 LEU N N 15 130.201 0.05 . 1 . . 101 . . 75 LEU N . 26986 1 929 . 1 1 76 76 LEU H H 1 9.380 0.005 . 1 . . 142 . . 76 LEU H . 26986 1 930 . 1 1 76 76 LEU HA H 1 5.026 0.014 . 1 . . 518 . . 76 LEU HA . 26986 1 931 . 1 1 76 76 LEU HB2 H 1 2.066 0.019 . 2 . . 519 . . 76 LEU HB2 . 26986 1 932 . 1 1 76 76 LEU HB3 H 1 1.397 0.021 . 2 . . 520 . . 76 LEU HB3 . 26986 1 933 . 1 1 76 76 LEU HG H 1 1.627 0.007 . 1 . . 940 . . 76 LEU HG . 26986 1 934 . 1 1 76 76 LEU HD11 H 1 0.625 . . 1 . . 1227 . . 76 LEU HD11 . 26986 1 935 . 1 1 76 76 LEU HD12 H 1 0.625 . . 1 . . 1227 . . 76 LEU HD12 . 26986 1 936 . 1 1 76 76 LEU HD13 H 1 0.625 . . 1 . . 1227 . . 76 LEU HD13 . 26986 1 937 . 1 1 76 76 LEU HD21 H 1 0.625 . . 1 . . 1225 . . 76 LEU HD21 . 26986 1 938 . 1 1 76 76 LEU HD22 H 1 0.625 . . 1 . . 1225 . . 76 LEU HD22 . 26986 1 939 . 1 1 76 76 LEU HD23 H 1 0.625 . . 1 . . 1225 . . 76 LEU HD23 . 26986 1 940 . 1 1 76 76 LEU C C 13 174.362 . . 1 . . 1027 . . 76 LEU C . 26986 1 941 . 1 1 76 76 LEU CA C 13 53.340 0.151 . 1 . . 316 . . 76 LEU CA . 26986 1 942 . 1 1 76 76 LEU CB C 13 46.220 0.138 . 1 . . 317 . . 76 LEU CB . 26986 1 943 . 1 1 76 76 LEU CG C 13 24.405 . . 1 . . 941 . . 76 LEU CG . 26986 1 944 . 1 1 76 76 LEU CD1 C 13 26.107 . . 1 . . 1228 . . 76 LEU CD1 . 26986 1 945 . 1 1 76 76 LEU CD2 C 13 26.107 . . 1 . . 1226 . . 76 LEU CD2 . 26986 1 946 . 1 1 76 76 LEU N N 15 123.938 0.06 . 1 . . 143 . . 76 LEU N . 26986 1 947 . 1 1 77 77 LEU H H 1 8.335 0.005 . 1 . . 227 . . 77 LEU H . 26986 1 948 . 1 1 77 77 LEU HA H 1 5.413 0.017 . 1 . . 515 . . 77 LEU HA . 26986 1 949 . 1 1 77 77 LEU HB2 H 1 1.421 . . 2 . . 794 . . 77 LEU HB2 . 26986 1 950 . 1 1 77 77 LEU HB3 H 1 1.364 . . 2 . . 795 . . 77 LEU HB3 . 26986 1 951 . 1 1 77 77 LEU HG H 1 1.637 0.002 . 1 . . 938 . . 77 LEU HG . 26986 1 952 . 1 1 77 77 LEU HD11 H 1 0.630 0.006 . 2 . . 695 . . 77 LEU HD11 . 26986 1 953 . 1 1 77 77 LEU HD12 H 1 0.630 0.006 . 2 . . 695 . . 77 LEU HD12 . 26986 1 954 . 1 1 77 77 LEU HD13 H 1 0.630 0.006 . 2 . . 695 . . 77 LEU HD13 . 26986 1 955 . 1 1 77 77 LEU HD21 H 1 0.689 0.005 . 2 . . 696 . . 77 LEU HD21 . 26986 1 956 . 1 1 77 77 LEU HD22 H 1 0.689 0.005 . 2 . . 696 . . 77 LEU HD22 . 26986 1 957 . 1 1 77 77 LEU HD23 H 1 0.689 0.005 . 2 . . 696 . . 77 LEU HD23 . 26986 1 958 . 1 1 77 77 LEU C C 13 175.079 . . 1 . . 1028 . . 77 LEU C . 26986 1 959 . 1 1 77 77 LEU CA C 13 54.523 0.087 . 1 . . 327 . . 77 LEU CA . 26986 1 960 . 1 1 77 77 LEU CB C 13 42.712 0.137 . 1 . . 318 . . 77 LEU CB . 26986 1 961 . 1 1 77 77 LEU CG C 13 27.406 . . 1 . . 939 . . 77 LEU CG . 26986 1 962 . 1 1 77 77 LEU CD1 C 13 25.818 . . 2 . . 796 . . 77 LEU CD1 . 26986 1 963 . 1 1 77 77 LEU CD2 C 13 23.285 . . 2 . . 797 . . 77 LEU CD2 . 26986 1 964 . 1 1 77 77 LEU N N 15 122.831 0.082 . 1 . . 228 . . 77 LEU N . 26986 1 965 . 1 1 78 78 PHE H H 1 9.968 0.006 . 1 . . 104 . . 78 PHE H . 26986 1 966 . 1 1 78 78 PHE HA H 1 5.512 0.004 . 1 . . 512 . . 78 PHE HA . 26986 1 967 . 1 1 78 78 PHE HB2 H 1 2.907 0.017 . 2 . . 513 . . 78 PHE HB2 . 26986 1 968 . 1 1 78 78 PHE HB3 H 1 2.945 . . 2 . . 1291 . . 78 PHE HB3 . 26986 1 969 . 1 1 78 78 PHE HD1 H 1 6.714 . . 1 . . 1361 . . 78 PHE HD1 . 26986 1 970 . 1 1 78 78 PHE HD2 H 1 6.714 . . 1 . . 1361 . . 78 PHE HD2 . 26986 1 971 . 1 1 78 78 PHE HE1 H 1 7.340 . . 1 . . 1371 . . 78 PHE HE1 . 26986 1 972 . 1 1 78 78 PHE HE2 H 1 7.340 . . 1 . . 1371 . . 78 PHE HE2 . 26986 1 973 . 1 1 78 78 PHE HZ H 1 7.307 . . 1 . . 1373 . . 78 PHE HZ . 26986 1 974 . 1 1 78 78 PHE C C 13 174.482 . . 1 . . 1029 . . 78 PHE C . 26986 1 975 . 1 1 78 78 PHE CA C 13 56.392 0.078 . 1 . . 319 . . 78 PHE CA . 26986 1 976 . 1 1 78 78 PHE CB C 13 44.501 0.132 . 1 . . 320 . . 78 PHE CB . 26986 1 977 . 1 1 78 78 PHE CD1 C 13 131.703 . . 1 . . 1362 . . 78 PHE CD1 . 26986 1 978 . 1 1 78 78 PHE CD2 C 13 131.703 . . 1 . . 1362 . . 78 PHE CD2 . 26986 1 979 . 1 1 78 78 PHE CE1 C 13 129.095 . . 1 . . 1372 . . 78 PHE CE1 . 26986 1 980 . 1 1 78 78 PHE CE2 C 13 129.095 . . 1 . . 1372 . . 78 PHE CE2 . 26986 1 981 . 1 1 78 78 PHE CZ C 13 130.074 . . 1 . . 1374 . . 78 PHE CZ . 26986 1 982 . 1 1 78 78 PHE N N 15 121.921 0.048 . 1 . . 105 . . 78 PHE N . 26986 1 983 . 1 1 79 79 LYS H H 1 8.937 0.003 . 1 . . 255 . . 79 LYS H . 26986 1 984 . 1 1 79 79 LYS HA H 1 4.979 0.006 . 1 . . 509 . . 79 LYS HA . 26986 1 985 . 1 1 79 79 LYS HB2 H 1 1.778 0.012 . 2 . . 511 . . 79 LYS HB2 . 26986 1 986 . 1 1 79 79 LYS HB3 H 1 1.675 . . 2 . . 1327 . . 79 LYS HB3 . 26986 1 987 . 1 1 79 79 LYS HG2 H 1 1.463 0.008 . 2 . . 932 . . 79 LYS HG2 . 26986 1 988 . 1 1 79 79 LYS HG3 H 1 1.281 . . 2 . . 933 . . 79 LYS HG3 . 26986 1 989 . 1 1 79 79 LYS HD2 H 1 1.671 0.018 . 1 . . 936 . . 79 LYS HD2 . 26986 1 990 . 1 1 79 79 LYS HD3 H 1 1.671 0.018 . 1 . . 935 . . 79 LYS HD3 . 26986 1 991 . 1 1 79 79 LYS HE2 H 1 2.916 0.01 . 1 . . 930 . . 79 LYS HE2 . 26986 1 992 . 1 1 79 79 LYS HE3 H 1 2.916 0.01 . 1 . . 929 . . 79 LYS HE3 . 26986 1 993 . 1 1 79 79 LYS C C 13 177.739 . . 1 . . 1030 . . 79 LYS C . 26986 1 994 . 1 1 79 79 LYS CA C 13 57.578 0.238 . 1 . . 328 . . 79 LYS CA . 26986 1 995 . 1 1 79 79 LYS CB C 13 36.423 0.026 . 1 . . 321 . . 79 LYS CB . 26986 1 996 . 1 1 79 79 LYS CG C 13 25.433 . . 1 . . 934 . . 79 LYS CG . 26986 1 997 . 1 1 79 79 LYS CD C 13 30.511 . . 1 . . 937 . . 79 LYS CD . 26986 1 998 . 1 1 79 79 LYS CE C 13 42.285 . . 1 . . 931 . . 79 LYS CE . 26986 1 999 . 1 1 79 79 LYS N N 15 117.039 0.039 . 1 . . 256 . . 79 LYS N . 26986 1 1000 . 1 1 80 80 ASN H H 1 9.137 0.003 . 1 . . 152 . . 80 ASN H . 26986 1 1001 . 1 1 80 80 ASN HA H 1 4.390 0.023 . 1 . . 508 . . 80 ASN HA . 26986 1 1002 . 1 1 80 80 ASN HB2 H 1 2.725 0.016 . 2 . . 506 . . 80 ASN HB2 . 26986 1 1003 . 1 1 80 80 ASN HB3 H 1 3.173 0.011 . 2 . . 507 . . 80 ASN HB3 . 26986 1 1004 . 1 1 80 80 ASN HD21 H 1 6.719 . . 1 . . 166 . . 80 ASN HD21 . 26986 1 1005 . 1 1 80 80 ASN HD22 H 1 7.359 . . 1 . . 220 . . 80 ASN HD22 . 26986 1 1006 . 1 1 80 80 ASN C C 13 175.381 . . 1 . . 1031 . . 80 ASN C . 26986 1 1007 . 1 1 80 80 ASN CA C 13 54.457 0.121 . 1 . . 323 . . 80 ASN CA . 26986 1 1008 . 1 1 80 80 ASN CB C 13 37.461 0.047 . 1 . . 322 . . 80 ASN CB . 26986 1 1009 . 1 1 80 80 ASN N N 15 125.632 0.052 . 1 . . 153 . . 80 ASN N . 26986 1 1010 . 1 1 80 80 ASN ND2 N 15 109.450 0.004 . 1 . . 167 . . 80 ASN ND2 . 26986 1 1011 . 1 1 81 81 GLY H H 1 8.843 0.005 . 1 . . 1 . . 81 GLY H . 26986 1 1012 . 1 1 81 81 GLY HA2 H 1 4.218 0.015 . 2 . . 673 . . 81 GLY HA2 . 26986 1 1013 . 1 1 81 81 GLY HA3 H 1 3.441 0.015 . 2 . . 674 . . 81 GLY HA3 . 26986 1 1014 . 1 1 81 81 GLY C C 13 173.286 . . 1 . . 1032 . . 81 GLY C . 26986 1 1015 . 1 1 81 81 GLY CA C 13 45.522 0.1 . 1 . . 3 . . 81 GLY CA . 26986 1 1016 . 1 1 81 81 GLY N N 15 103.011 0.046 . 1 . . 2 . . 81 GLY N . 26986 1 1017 . 1 1 82 82 LYS H H 1 7.782 0.005 . 1 . . 206 . . 82 LYS H . 26986 1 1018 . 1 1 82 82 LYS HA H 1 4.855 0.014 . 1 . . 671 . . 82 LYS HA . 26986 1 1019 . 1 1 82 82 LYS HB2 H 1 1.889 0.005 . 1 . . 738 . . 82 LYS HB2 . 26986 1 1020 . 1 1 82 82 LYS HB3 H 1 1.889 0.005 . 1 . . 672 . . 82 LYS HB3 . 26986 1 1021 . 1 1 82 82 LYS HG2 H 1 1.479 0.008 . 1 . . 785 . . 82 LYS HG2 . 26986 1 1022 . 1 1 82 82 LYS HG3 H 1 1.479 0.008 . 1 . . 784 . . 82 LYS HG3 . 26986 1 1023 . 1 1 82 82 LYS HD2 H 1 1.783 0.016 . 1 . . 783 . . 82 LYS HD2 . 26986 1 1024 . 1 1 82 82 LYS HD3 H 1 1.783 0.016 . 1 . . 790 . . 82 LYS HD3 . 26986 1 1025 . 1 1 82 82 LYS HE2 H 1 3.067 0.009 . 1 . . 787 . . 82 LYS HE2 . 26986 1 1026 . 1 1 82 82 LYS HE3 H 1 3.067 0.009 . 1 . . 788 . . 82 LYS HE3 . 26986 1 1027 . 1 1 82 82 LYS C C 13 174.875 . . 1 . . 1033 . . 82 LYS C . 26986 1 1028 . 1 1 82 82 LYS CA C 13 54.097 0.216 . 1 . . 295 . . 82 LYS CA . 26986 1 1029 . 1 1 82 82 LYS CB C 13 35.297 0.039 . 1 . . 291 . . 82 LYS CB . 26986 1 1030 . 1 1 82 82 LYS CG C 13 24.322 0.067 . 1 . . 786 . . 82 LYS CG . 26986 1 1031 . 1 1 82 82 LYS CD C 13 28.748 0.0 . 1 . . 791 . . 82 LYS CD . 26986 1 1032 . 1 1 82 82 LYS CE C 13 42.140 0.042 . 1 . . 789 . . 82 LYS CE . 26986 1 1033 . 1 1 82 82 LYS N N 15 119.247 0.052 . 1 . . 207 . . 82 LYS N . 26986 1 1034 . 1 1 83 83 GLU H H 1 8.987 0.003 . 1 . . 241 . . 83 GLU H . 26986 1 1035 . 1 1 83 83 GLU HA H 1 4.017 0.01 . 1 . . 669 . . 83 GLU HA . 26986 1 1036 . 1 1 83 83 GLU HB2 H 1 1.955 0.021 . 1 . . 739 . . 83 GLU HB2 . 26986 1 1037 . 1 1 83 83 GLU HB3 H 1 1.960 0.021 . 1 . . 670 . . 83 GLU HB3 . 26986 1 1038 . 1 1 83 83 GLU HG2 H 1 2.410 0.013 . 1 . . 776 . . 83 GLU HG2 . 26986 1 1039 . 1 1 83 83 GLU HG3 H 1 2.410 0.013 . 1 . . 777 . . 83 GLU HG3 . 26986 1 1040 . 1 1 83 83 GLU C C 13 177.266 . . 1 . . 1034 . . 83 GLU C . 26986 1 1041 . 1 1 83 83 GLU CA C 13 56.875 0.069 . 1 . . 283 . . 83 GLU CA . 26986 1 1042 . 1 1 83 83 GLU CB C 13 30.431 0.032 . 1 . . 284 . . 83 GLU CB . 26986 1 1043 . 1 1 83 83 GLU CG C 13 33.488 . . 1 . . 780 . . 83 GLU CG . 26986 1 1044 . 1 1 83 83 GLU N N 15 125.313 0.065 . 1 . . 242 . . 83 GLU N . 26986 1 1045 . 1 1 84 84 VAL H H 1 9.486 0.003 . 1 . . 216 . . 84 VAL H . 26986 1 1046 . 1 1 84 84 VAL HA H 1 4.541 0.01 . 1 . . 667 . . 84 VAL HA . 26986 1 1047 . 1 1 84 84 VAL HB H 1 2.213 0.005 . 1 . . 668 . . 84 VAL HB . 26986 1 1048 . 1 1 84 84 VAL HG11 H 1 0.961 0.009 . 2 . . 772 . . 84 VAL HG11 . 26986 1 1049 . 1 1 84 84 VAL HG12 H 1 0.961 0.009 . 2 . . 772 . . 84 VAL HG12 . 26986 1 1050 . 1 1 84 84 VAL HG13 H 1 0.961 0.009 . 2 . . 772 . . 84 VAL HG13 . 26986 1 1051 . 1 1 84 84 VAL HG21 H 1 0.539 0.014 . 2 . . 773 . . 84 VAL HG21 . 26986 1 1052 . 1 1 84 84 VAL HG22 H 1 0.539 0.014 . 2 . . 773 . . 84 VAL HG22 . 26986 1 1053 . 1 1 84 84 VAL HG23 H 1 0.539 0.014 . 2 . . 773 . . 84 VAL HG23 . 26986 1 1054 . 1 1 84 84 VAL C C 13 175.661 . . 1 . . 1035 . . 84 VAL C . 26986 1 1055 . 1 1 84 84 VAL CA C 13 61.115 0.153 . 1 . . 281 . . 84 VAL CA . 26986 1 1056 . 1 1 84 84 VAL CB C 13 32.978 0.064 . 1 . . 500 . . 84 VAL CB . 26986 1 1057 . 1 1 84 84 VAL CG1 C 13 21.859 0.063 . 2 . . 774 . . 84 VAL CG1 . 26986 1 1058 . 1 1 84 84 VAL CG2 C 13 18.435 0.035 . 2 . . 775 . . 84 VAL CG2 . 26986 1 1059 . 1 1 84 84 VAL N N 15 122.194 0.048 . 1 . . 217 . . 84 VAL N . 26986 1 1060 . 1 1 85 85 ALA H H 1 7.807 0.003 . 1 . . 184 . . 85 ALA H . 26986 1 1061 . 1 1 85 85 ALA HA H 1 4.523 0.013 . 1 . . 664 . . 85 ALA HA . 26986 1 1062 . 1 1 85 85 ALA HB1 H 1 1.393 0.026 . 1 . . 665 . . 85 ALA HB1 . 26986 1 1063 . 1 1 85 85 ALA HB2 H 1 1.393 0.026 . 1 . . 665 . . 85 ALA HB2 . 26986 1 1064 . 1 1 85 85 ALA HB3 H 1 1.393 0.026 . 1 . . 665 . . 85 ALA HB3 . 26986 1 1065 . 1 1 85 85 ALA C C 13 173.749 . . 1 . . 1036 . . 85 ALA C . 26986 1 1066 . 1 1 85 85 ALA CA C 13 52.629 0.089 . 1 . . 293 . . 85 ALA CA . 26986 1 1067 . 1 1 85 85 ALA CB C 13 21.919 0.04 . 1 . . 294 . . 85 ALA CB . 26986 1 1068 . 1 1 85 85 ALA N N 15 121.481 0.027 . 1 . . 185 . . 85 ALA N . 26986 1 1069 . 1 1 86 86 LYS H H 1 8.167 0.002 . 1 . . 259 . . 86 LYS H . 26986 1 1070 . 1 1 86 86 LYS HA H 1 5.087 0.009 . 1 . . 689 . . 86 LYS HA . 26986 1 1071 . 1 1 86 86 LYS HB2 H 1 1.776 0.018 . 1 . . 688 . . 86 LYS HB2 . 26986 1 1072 . 1 1 86 86 LYS HB3 H 1 1.776 0.018 . 1 . . 740 . . 86 LYS HB3 . 26986 1 1073 . 1 1 86 86 LYS HG2 H 1 1.070 0.006 . 1 . . 926 . . 86 LYS HG2 . 26986 1 1074 . 1 1 86 86 LYS HG3 H 1 1.070 0.006 . 1 . . 927 . . 86 LYS HG3 . 26986 1 1075 . 1 1 86 86 LYS HD2 H 1 1.658 0.011 . 1 . . 763 . . 86 LYS HD2 . 26986 1 1076 . 1 1 86 86 LYS HD3 H 1 1.658 0.011 . 1 . . 764 . . 86 LYS HD3 . 26986 1 1077 . 1 1 86 86 LYS HE2 H 1 3.032 . . 2 . . 767 . . 86 LYS HE2 . 26986 1 1078 . 1 1 86 86 LYS HE3 H 1 2.926 0.02 . 2 . . 768 . . 86 LYS HE3 . 26986 1 1079 . 1 1 86 86 LYS C C 13 175.136 . . 1 . . 1037 . . 86 LYS C . 26986 1 1080 . 1 1 86 86 LYS CA C 13 55.720 0.122 . 1 . . 298 . . 86 LYS CA . 26986 1 1081 . 1 1 86 86 LYS CB C 13 35.633 0.181 . 1 . . 297 . . 86 LYS CB . 26986 1 1082 . 1 1 86 86 LYS CG C 13 24.223 . . 1 . . 928 . . 86 LYS CG . 26986 1 1083 . 1 1 86 86 LYS CD C 13 29.306 . . 1 . . 771 . . 86 LYS CD . 26986 1 1084 . 1 1 86 86 LYS CE C 13 41.719 . . 1 . . 925 . . 86 LYS CE . 26986 1 1085 . 1 1 86 86 LYS N N 15 119.445 0.055 . 1 . . 260 . . 86 LYS N . 26986 1 1086 . 1 1 87 87 VAL H H 1 9.446 0.004 . 1 . . 61 . . 87 VAL H . 26986 1 1087 . 1 1 87 87 VAL HA H 1 4.382 0.016 . 1 . . 662 . . 87 VAL HA . 26986 1 1088 . 1 1 87 87 VAL HB H 1 2.127 0.003 . 1 . . 661 . . 87 VAL HB . 26986 1 1089 . 1 1 87 87 VAL HG11 H 1 0.950 0.011 . 2 . . 923 . . 87 VAL HG11 . 26986 1 1090 . 1 1 87 87 VAL HG12 H 1 0.950 0.011 . 2 . . 923 . . 87 VAL HG12 . 26986 1 1091 . 1 1 87 87 VAL HG13 H 1 0.950 0.011 . 2 . . 923 . . 87 VAL HG13 . 26986 1 1092 . 1 1 87 87 VAL HG21 H 1 1.198 . . 2 . . 1322 . . 87 VAL HG21 . 26986 1 1093 . 1 1 87 87 VAL HG22 H 1 1.198 . . 2 . . 1322 . . 87 VAL HG22 . 26986 1 1094 . 1 1 87 87 VAL HG23 H 1 1.198 . . 2 . . 1322 . . 87 VAL HG23 . 26986 1 1095 . 1 1 87 87 VAL C C 13 174.475 . . 1 . . 1038 . . 87 VAL C . 26986 1 1096 . 1 1 87 87 VAL CA C 13 61.585 0.091 . 1 . . 300 . . 87 VAL CA . 26986 1 1097 . 1 1 87 87 VAL CB C 13 34.021 0.08 . 1 . . 299 . . 87 VAL CB . 26986 1 1098 . 1 1 87 87 VAL CG1 C 13 21.053 . . 2 . . 1324 . . 87 VAL CG1 . 26986 1 1099 . 1 1 87 87 VAL CG2 C 13 21.052 . . 2 . . 1323 . . 87 VAL CG2 . 26986 1 1100 . 1 1 87 87 VAL N N 15 126.773 0.052 . 1 . . 62 . . 87 VAL N . 26986 1 1101 . 1 1 88 88 VAL H H 1 8.977 0.007 . 1 . . 126 . . 88 VAL H . 26986 1 1102 . 1 1 88 88 VAL HA H 1 4.611 0.012 . 1 . . 659 . . 88 VAL HA . 26986 1 1103 . 1 1 88 88 VAL HB H 1 2.071 0.026 . 1 . . 660 . . 88 VAL HB . 26986 1 1104 . 1 1 88 88 VAL HG11 H 1 0.999 0.001 . 2 . . 919 . . 88 VAL HG11 . 26986 1 1105 . 1 1 88 88 VAL HG12 H 1 0.999 0.001 . 2 . . 919 . . 88 VAL HG12 . 26986 1 1106 . 1 1 88 88 VAL HG13 H 1 0.999 0.001 . 2 . . 919 . . 88 VAL HG13 . 26986 1 1107 . 1 1 88 88 VAL HG21 H 1 0.909 0.014 . 2 . . 920 . . 88 VAL HG21 . 26986 1 1108 . 1 1 88 88 VAL HG22 H 1 0.909 0.014 . 2 . . 920 . . 88 VAL HG22 . 26986 1 1109 . 1 1 88 88 VAL HG23 H 1 0.909 0.014 . 2 . . 920 . . 88 VAL HG23 . 26986 1 1110 . 1 1 88 88 VAL C C 13 176.393 . . 1 . . 1039 . . 88 VAL C . 26986 1 1111 . 1 1 88 88 VAL CA C 13 61.861 0.091 . 1 . . 329 . . 88 VAL CA . 26986 1 1112 . 1 1 88 88 VAL CB C 13 32.823 0.095 . 1 . . 330 . . 88 VAL CB . 26986 1 1113 . 1 1 88 88 VAL CG1 C 13 24.057 . . 2 . . 921 . . 88 VAL CG1 . 26986 1 1114 . 1 1 88 88 VAL CG2 C 13 24.112 . . 2 . . 922 . . 88 VAL CG2 . 26986 1 1115 . 1 1 88 88 VAL N N 15 128.584 0.119 . 1 . . 127 . . 88 VAL N . 26986 1 1116 . 1 1 89 89 GLY H H 1 8.598 0.005 . 1 . . 20 . . 89 GLY H . 26986 1 1117 . 1 1 89 89 GLY HA2 H 1 3.985 0.386 . 2 . . 658 . . 89 GLY HA2 . 26986 1 1118 . 1 1 89 89 GLY HA3 H 1 3.713 0.013 . 2 . . 742 . . 89 GLY HA3 . 26986 1 1119 . 1 1 89 89 GLY C C 13 173.007 . . 1 . . 1040 . . 89 GLY C . 26986 1 1120 . 1 1 89 89 GLY CA C 13 43.704 0.012 . 1 . . 358 . . 89 GLY CA . 26986 1 1121 . 1 1 89 89 GLY N N 15 114.652 0.06 . 1 . . 21 . . 89 GLY N . 26986 1 1122 . 1 1 90 90 ALA H H 1 8.696 0.011 . 1 . . 489 . . 90 ALA H . 26986 1 1123 . 1 1 90 90 ALA HA H 1 4.270 0.025 . 1 . . 656 . . 90 ALA HA . 26986 1 1124 . 1 1 90 90 ALA HB1 H 1 1.341 0.014 . 1 . . 657 . . 90 ALA HB1 . 26986 1 1125 . 1 1 90 90 ALA HB2 H 1 1.341 0.014 . 1 . . 657 . . 90 ALA HB2 . 26986 1 1126 . 1 1 90 90 ALA HB3 H 1 1.341 0.014 . 1 . . 657 . . 90 ALA HB3 . 26986 1 1127 . 1 1 90 90 ALA C C 13 175.016 . . 1 . . 1041 . . 90 ALA C . 26986 1 1128 . 1 1 90 90 ALA CA C 13 50.712 0.078 . 1 . . 418 . . 90 ALA CA . 26986 1 1129 . 1 1 90 90 ALA CB C 13 17.728 0.087 . 1 . . 417 . . 90 ALA CB . 26986 1 1130 . 1 1 90 90 ALA N N 15 121.396 0.1 . 1 . . 490 . . 90 ALA N . 26986 1 1131 . 1 1 91 91 ASN H H 1 7.615 0.006 . 1 . . 174 . . 91 ASN H . 26986 1 1132 . 1 1 91 91 ASN HA H 1 4.631 0.323 . 1 . . 1131 . . 91 ASN HA . 26986 1 1133 . 1 1 91 91 ASN HB2 H 1 2.708 0.015 . 2 . . 1133 . . 91 ASN HB2 . 26986 1 1134 . 1 1 91 91 ASN HB3 H 1 2.964 . . 2 . . 1183 . . 91 ASN HB3 . 26986 1 1135 . 1 1 91 91 ASN HD21 H 1 6.876 . . 1 . . 40 . . 91 ASN HD21 . 26986 1 1136 . 1 1 91 91 ASN HD22 H 1 7.548 . . 1 . . 93 . . 91 ASN HD22 . 26986 1 1137 . 1 1 91 91 ASN CA C 13 50.502 0.121 . 1 . . 416 . . 91 ASN CA . 26986 1 1138 . 1 1 91 91 ASN CB C 13 38.778 0.056 . 1 . . 415 . . 91 ASN CB . 26986 1 1139 . 1 1 91 91 ASN N N 15 120.282 0.077 . 1 . . 175 . . 91 ASN N . 26986 1 1140 . 1 1 91 91 ASN ND2 N 15 111.685 0.002 . 1 . . 41 . . 91 ASN ND2 . 26986 1 1141 . 1 1 92 92 PRO CA C 13 65.467 . . 1 . . 369 . . 92 PRO CA . 26986 1 1142 . 1 1 92 92 PRO CB C 13 30.885 . . 1 . . 368 . . 92 PRO CB . 26986 1 1143 . 1 1 93 93 ALA HA H 1 4.249 0.046 . 1 . . 684 . . 93 ALA HA . 26986 1 1144 . 1 1 93 93 ALA HB1 H 1 1.536 0.02 . 1 . . 540 . . 93 ALA HB1 . 26986 1 1145 . 1 1 93 93 ALA HB2 H 1 1.536 0.02 . 1 . . 540 . . 93 ALA HB2 . 26986 1 1146 . 1 1 93 93 ALA HB3 H 1 1.536 0.02 . 1 . . 540 . . 93 ALA HB3 . 26986 1 1147 . 1 1 93 93 ALA C C 13 179.866 . . 1 . . 1042 . . 93 ALA C . 26986 1 1148 . 1 1 93 93 ALA CA C 13 55.200 0.161 . 1 . . 502 . . 93 ALA CA . 26986 1 1149 . 1 1 93 93 ALA CB C 13 17.822 0.002 . 1 . . 501 . . 93 ALA CB . 26986 1 1150 . 1 1 94 94 ALA H H 1 7.451 0.01 . 1 . . 120 . . 94 ALA H . 26986 1 1151 . 1 1 94 94 ALA HA H 1 4.198 0.024 . 1 . . 654 . . 94 ALA HA . 26986 1 1152 . 1 1 94 94 ALA HB1 H 1 1.502 0.012 . 1 . . 655 . . 94 ALA HB1 . 26986 1 1153 . 1 1 94 94 ALA HB2 H 1 1.502 0.012 . 1 . . 655 . . 94 ALA HB2 . 26986 1 1154 . 1 1 94 94 ALA HB3 H 1 1.502 0.012 . 1 . . 655 . . 94 ALA HB3 . 26986 1 1155 . 1 1 94 94 ALA C C 13 180.888 . . 1 . . 1043 . . 94 ALA C . 26986 1 1156 . 1 1 94 94 ALA CA C 13 54.528 0.099 . 1 . . 360 . . 94 ALA CA . 26986 1 1157 . 1 1 94 94 ALA CB C 13 18.612 0.162 . 1 . . 370 . . 94 ALA CB . 26986 1 1158 . 1 1 94 94 ALA N N 15 120.488 0.144 . 1 . . 121 . . 94 ALA N . 26986 1 1159 . 1 1 95 95 ILE H H 1 7.990 0.003 . 1 . . 94 . . 95 ILE H . 26986 1 1160 . 1 1 95 95 ILE HA H 1 3.502 0.026 . 1 . . 652 . . 95 ILE HA . 26986 1 1161 . 1 1 95 95 ILE HB H 1 2.000 0.01 . 1 . . 653 . . 95 ILE HB . 26986 1 1162 . 1 1 95 95 ILE HG12 H 1 0.915 . . 1 . . 759 . . 95 ILE HG12 . 26986 1 1163 . 1 1 95 95 ILE HG13 H 1 1.509 0.038 . 1 . . 761 . . 95 ILE HG13 . 26986 1 1164 . 1 1 95 95 ILE HG21 H 1 0.918 0.065 . 1 . . 757 . . 95 ILE HG21 . 26986 1 1165 . 1 1 95 95 ILE HG22 H 1 0.918 0.065 . 1 . . 757 . . 95 ILE HG22 . 26986 1 1166 . 1 1 95 95 ILE HG23 H 1 0.918 0.065 . 1 . . 757 . . 95 ILE HG23 . 26986 1 1167 . 1 1 95 95 ILE HD11 H 1 0.852 0.037 . 1 . . 756 . . 95 ILE HD11 . 26986 1 1168 . 1 1 95 95 ILE HD12 H 1 0.852 0.037 . 1 . . 756 . . 95 ILE HD12 . 26986 1 1169 . 1 1 95 95 ILE HD13 H 1 0.852 0.037 . 1 . . 756 . . 95 ILE HD13 . 26986 1 1170 . 1 1 95 95 ILE C C 13 176.257 . . 1 . . 1044 . . 95 ILE C . 26986 1 1171 . 1 1 95 95 ILE CA C 13 66.301 0.265 . 1 . . 363 . . 95 ILE CA . 26986 1 1172 . 1 1 95 95 ILE CB C 13 38.270 0.184 . 1 . . 371 . . 95 ILE CB . 26986 1 1173 . 1 1 95 95 ILE CG1 C 13 27.529 0.07 . 1 . . 762 . . 95 ILE CG1 . 26986 1 1174 . 1 1 95 95 ILE CG2 C 13 15.302 1.91 . 1 . . 760 . . 95 ILE CG2 . 26986 1 1175 . 1 1 95 95 ILE CD1 C 13 13.359 0.002 . 1 . . 758 . . 95 ILE CD1 . 26986 1 1176 . 1 1 95 95 ILE N N 15 119.491 0.034 . 1 . . 95 . . 95 ILE N . 26986 1 1177 . 1 1 96 96 LYS H H 1 8.203 0.002 . 1 . . 265 . . 96 LYS H . 26986 1 1178 . 1 1 96 96 LYS HA H 1 3.282 0.027 . 1 . . 650 . . 96 LYS HA . 26986 1 1179 . 1 1 96 96 LYS HB2 H 1 1.859 0.012 . 1 . . 651 . . 96 LYS HB2 . 26986 1 1180 . 1 1 96 96 LYS HB3 H 1 1.861 0.014 . 1 . . 743 . . 96 LYS HB3 . 26986 1 1181 . 1 1 96 96 LYS HG2 H 1 1.330 0.017 . 2 . . 753 . . 96 LYS HG2 . 26986 1 1182 . 1 1 96 96 LYS HG3 H 1 1.295 0.023 . 2 . . 754 . . 96 LYS HG3 . 26986 1 1183 . 1 1 96 96 LYS HE2 H 1 3.058 . . 1 . . 1275 . . 96 LYS HE2 . 26986 1 1184 . 1 1 96 96 LYS HE3 H 1 3.058 . . 1 . . 1273 . . 96 LYS HE3 . 26986 1 1185 . 1 1 96 96 LYS C C 13 177.898 . . 1 . . 1045 . . 96 LYS C . 26986 1 1186 . 1 1 96 96 LYS CA C 13 60.085 0.19 . 1 . . 349 . . 96 LYS CA . 26986 1 1187 . 1 1 96 96 LYS CB C 13 32.040 0.071 . 1 . . 350 . . 96 LYS CB . 26986 1 1188 . 1 1 96 96 LYS CG C 13 24.851 0.063 . 1 . . 755 . . 96 LYS CG . 26986 1 1189 . 1 1 96 96 LYS CE C 13 42.153 . . 1 . . 1274 . . 96 LYS CE . 26986 1 1190 . 1 1 96 96 LYS N N 15 118.733 0.068 . 1 . . 266 . . 96 LYS N . 26986 1 1191 . 1 1 97 97 GLN H H 1 7.874 0.002 . 1 . . 301 . . 97 GLN H . 26986 1 1192 . 1 1 97 97 GLN HA H 1 3.979 0.016 . 1 . . 648 . . 97 GLN HA . 26986 1 1193 . 1 1 97 97 GLN HB2 H 1 2.079 0.033 . 2 . . 744 . . 97 GLN HB2 . 26986 1 1194 . 1 1 97 97 GLN HB3 H 1 2.131 . . 2 . . 1209 . . 97 GLN HB3 . 26986 1 1195 . 1 1 97 97 GLN HG2 H 1 2.486 . . 2 . . 1210 . . 97 GLN HG2 . 26986 1 1196 . 1 1 97 97 GLN HG3 H 1 2.525 . . 2 . . 1212 . . 97 GLN HG3 . 26986 1 1197 . 1 1 97 97 GLN HE21 H 1 7.519 . . 1 . . 102 . . 97 GLN HE21 . 26986 1 1198 . 1 1 97 97 GLN HE22 H 1 6.931 . . 1 . . 243 . . 97 GLN HE22 . 26986 1 1199 . 1 1 97 97 GLN C C 13 177.992 . . 1 . . 1046 . . 97 GLN C . 26986 1 1200 . 1 1 97 97 GLN CA C 13 58.624 0.09 . 1 . . 345 . . 97 GLN CA . 26986 1 1201 . 1 1 97 97 GLN CB C 13 28.184 0.034 . 1 . . 346 . . 97 GLN CB . 26986 1 1202 . 1 1 97 97 GLN CG C 13 33.528 0.004 . 1 . . 1211 . . 97 GLN CG . 26986 1 1203 . 1 1 97 97 GLN N N 15 115.560 0.072 . 1 . . 302 . . 97 GLN N . 26986 1 1204 . 1 1 97 97 GLN NE2 N 15 111.312 0.008 . 1 . . 244 . . 97 GLN NE2 . 26986 1 1205 . 1 1 98 98 ALA H H 1 7.726 0.005 . 1 . . 164 . . 98 ALA H . 26986 1 1206 . 1 1 98 98 ALA HA H 1 4.056 0.021 . 1 . . 646 . . 98 ALA HA . 26986 1 1207 . 1 1 98 98 ALA HB1 H 1 1.270 0.006 . 1 . . 647 . . 98 ALA HB1 . 26986 1 1208 . 1 1 98 98 ALA HB2 H 1 1.270 0.006 . 1 . . 647 . . 98 ALA HB2 . 26986 1 1209 . 1 1 98 98 ALA HB3 H 1 1.270 0.006 . 1 . . 647 . . 98 ALA HB3 . 26986 1 1210 . 1 1 98 98 ALA C C 13 179.653 . . 1 . . 1047 . . 98 ALA C . 26986 1 1211 . 1 1 98 98 ALA CA C 13 54.765 0.103 . 1 . . 343 . . 98 ALA CA . 26986 1 1212 . 1 1 98 98 ALA CB C 13 17.691 0.018 . 1 . . 344 . . 98 ALA CB . 26986 1 1213 . 1 1 98 98 ALA N N 15 121.016 0.044 . 1 . . 165 . . 98 ALA N . 26986 1 1214 . 1 1 99 99 ILE H H 1 7.921 0.003 . 1 . . 63 . . 99 ILE H . 26986 1 1215 . 1 1 99 99 ILE HA H 1 3.155 0.019 . 1 . . 644 . . 99 ILE HA . 26986 1 1216 . 1 1 99 99 ILE HB H 1 1.206 0.008 . 1 . . 645 . . 99 ILE HB . 26986 1 1217 . 1 1 99 99 ILE HG12 H 1 1.750 . . 1 . . 1068 . . 99 ILE HG12 . 26986 1 1218 . 1 1 99 99 ILE HG13 H 1 1.734 . . 1 . . 917 . . 99 ILE HG13 . 26986 1 1219 . 1 1 99 99 ILE HG21 H 1 0.632 0.015 . 1 . . 751 . . 99 ILE HG21 . 26986 1 1220 . 1 1 99 99 ILE HG22 H 1 0.632 0.015 . 1 . . 751 . . 99 ILE HG22 . 26986 1 1221 . 1 1 99 99 ILE HG23 H 1 0.632 0.015 . 1 . . 751 . . 99 ILE HG23 . 26986 1 1222 . 1 1 99 99 ILE HD11 H 1 -0.054 0.007 . 1 . . 745 . . 99 ILE HD11 . 26986 1 1223 . 1 1 99 99 ILE HD12 H 1 -0.054 0.007 . 1 . . 745 . . 99 ILE HD12 . 26986 1 1224 . 1 1 99 99 ILE HD13 H 1 -0.054 0.007 . 1 . . 745 . . 99 ILE HD13 . 26986 1 1225 . 1 1 99 99 ILE C C 13 177.003 . . 1 . . 1048 . . 99 ILE C . 26986 1 1226 . 1 1 99 99 ILE CA C 13 65.460 0.107 . 1 . . 372 . . 99 ILE CA . 26986 1 1227 . 1 1 99 99 ILE CB C 13 38.001 0.125 . 1 . . 373 . . 99 ILE CB . 26986 1 1228 . 1 1 99 99 ILE CG1 C 13 28.378 . . 1 . . 1069 . . 99 ILE CG1 . 26986 1 1229 . 1 1 99 99 ILE CG2 C 13 14.642 0.045 . 1 . . 752 . . 99 ILE CG2 . 26986 1 1230 . 1 1 99 99 ILE CD1 C 13 15.843 0.077 . 1 . . 747 . . 99 ILE CD1 . 26986 1 1231 . 1 1 99 99 ILE N N 15 117.815 0.051 . 1 . . 64 . . 99 ILE N . 26986 1 1232 . 1 1 100 100 ALA H H 1 8.305 0.004 . 1 . . 239 . . 100 ALA H . 26986 1 1233 . 1 1 100 100 ALA HA H 1 4.023 0.001 . 1 . . 1130 . . 100 ALA HA . 26986 1 1234 . 1 1 100 100 ALA HB1 H 1 1.287 . . 1 . . 1129 . . 100 ALA HB1 . 26986 1 1235 . 1 1 100 100 ALA HB2 H 1 1.287 . . 1 . . 1129 . . 100 ALA HB2 . 26986 1 1236 . 1 1 100 100 ALA HB3 H 1 1.287 . . 1 . . 1129 . . 100 ALA HB3 . 26986 1 1237 . 1 1 100 100 ALA C C 13 180.437 . . 1 . . 1051 . . 100 ALA C . 26986 1 1238 . 1 1 100 100 ALA CA C 13 55.011 . . 1 . . 1052 . . 100 ALA CA . 26986 1 1239 . 1 1 100 100 ALA CB C 13 18.083 . . 1 . . 1053 . . 100 ALA CB . 26986 1 1240 . 1 1 100 100 ALA N N 15 119.427 0.037 . 1 . . 240 . . 100 ALA N . 26986 1 1241 . 1 1 101 101 ALA H H 1 7.851 . . 1 . . 1169 . . 101 ALA H . 26986 1 1242 . 1 1 101 101 ALA HA H 1 4.184 0.001 . 1 . . 1074 . . 101 ALA HA . 26986 1 1243 . 1 1 101 101 ALA HB1 H 1 1.434 . . 1 . . 1076 . . 101 ALA HB1 . 26986 1 1244 . 1 1 101 101 ALA HB2 H 1 1.434 . . 1 . . 1076 . . 101 ALA HB2 . 26986 1 1245 . 1 1 101 101 ALA HB3 H 1 1.434 . . 1 . . 1076 . . 101 ALA HB3 . 26986 1 1246 . 1 1 101 101 ALA C C 13 178.273 . . 1 . . 1050 . . 101 ALA C . 26986 1 1247 . 1 1 101 101 ALA CA C 13 53.725 0.052 . 1 . . 310 . . 101 ALA CA . 26986 1 1248 . 1 1 101 101 ALA CB C 13 18.854 0.045 . 1 . . 311 . . 101 ALA CB . 26986 1 1249 . 1 1 101 101 ALA N N 15 115.565 . . 1 . . 1170 . . 101 ALA N . 26986 1 1250 . 1 1 102 102 ASN H H 1 7.301 0.005 . 1 . . 1171 . . 102 ASN H . 26986 1 1251 . 1 1 102 102 ASN HA H 1 4.914 . . 1 . . 1182 . . 102 ASN HA . 26986 1 1252 . 1 1 102 102 ASN HB2 H 1 2.625 . . 2 . . 1176 . . 102 ASN HB2 . 26986 1 1253 . 1 1 102 102 ASN HB3 H 1 2.271 . . 2 . . 1179 . . 102 ASN HB3 . 26986 1 1254 . 1 1 102 102 ASN HD21 H 1 7.265 . . 1 . . 156 . . 102 ASN HD21 . 26986 1 1255 . 1 1 102 102 ASN HD22 H 1 7.909 . . 1 . . 251 . . 102 ASN HD22 . 26986 1 1256 . 1 1 102 102 ASN C C 13 172.778 . . 1 . . 1049 . . 102 ASN C . 26986 1 1257 . 1 1 102 102 ASN CA C 13 54.113 0.026 . 1 . . 312 . . 102 ASN CA . 26986 1 1258 . 1 1 102 102 ASN CB C 13 42.886 0.066 . 1 . . 1175 . . 102 ASN CB . 26986 1 1259 . 1 1 102 102 ASN N N 15 115.250 5.302 . 1 . . 1172 . . 102 ASN N . 26986 1 1260 . 1 1 102 102 ASN ND2 N 15 112.568 0.003 . 1 . . 157 . . 102 ASN ND2 . 26986 1 1261 . 1 1 103 103 ALA H H 1 7.689 0.003 . 1 . . 1173 . . 103 ALA H . 26986 1 1262 . 1 1 103 103 ALA HA H 1 3.825 . . 1 . . 1187 . . 103 ALA HA . 26986 1 1263 . 1 1 103 103 ALA HB1 H 1 1.404 . . 1 . . 1185 . . 103 ALA HB1 . 26986 1 1264 . 1 1 103 103 ALA HB2 H 1 1.404 . . 1 . . 1185 . . 103 ALA HB2 . 26986 1 1265 . 1 1 103 103 ALA HB3 H 1 1.404 . . 1 . . 1185 . . 103 ALA HB3 . 26986 1 1266 . 1 1 103 103 ALA CA C 13 54.823 0.217 . 1 . . 1060 . . 103 ALA CA . 26986 1 1267 . 1 1 103 103 ALA CB C 13 18.487 0.26 . 1 . . 1059 . . 103 ALA CB . 26986 1 1268 . 1 1 103 103 ALA N N 15 129.267 0.047 . 1 . . 1184 . . 103 ALA N . 26986 1 stop_ save_