data_26053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26053 _Entry.Title ; Solution structure of MapZ extracellular domain second subdomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-11 _Entry.Accession_date 2016-05-11 _Entry.Last_release_date 2016-06-27 _Entry.Original_release_date 2016-06-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nicolas Jean . L. . . 26053 2 Sylvie Manuse . . . . 26053 3 Megane Guinot . . . . 26053 4 Catherine Bougault . M. . . 26053 5 Christophe Grangeasse . . . . 26053 6 Jean-Pierre Simorre . . . . 26053 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26053 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 1 . 26053 2 . 2 . 26053 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FtsZ . 26053 MapZ . 26053 division . 26053 peptidoglycan . 26053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 426 26053 '15N chemical shifts' 113 26053 '1H chemical shifts' 677 26053 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-12 2016-05-11 update BMRB 'update entry citation' 26053 1 . . 2016-06-27 2016-05-11 original author 'original release' 26053 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26052 MapZ_QG 26053 PDB 2NDA 'BMRB Entry Tracking System' 26053 stop_ save_ ############### # Citations # ############### save_Journal_article _Citation.Sf_category citations _Citation.Sf_framecode Journal_article _Citation.Entry_ID 26053 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27346279 _Citation.Full_citation . _Citation.Title ; Structure-function analysis of the extracellular domain of the pneumococcal cell division site positioning protein MapZ ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. commun.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _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 12071 _Citation.Page_last 12071 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sylvie Manuse . . . . 26053 1 2 Nicolas Jean . L. . . 26053 1 3 Megane Guinot . . . . 26053 1 4 Jean-Pierre Lavergne . . . . 26053 1 5 Cedric Laguri . . . . 26053 1 6 Catherine Bougault . M. . . 26053 1 7 Michael 'Van Nieuwenhze' . S. . . 26053 1 8 Christophe Grangeasse . . . . 26053 1 9 Jean-Pierre Simorre . . . . 26053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26053 _Assembly.ID 1 _Assembly.Name MapZ_SY _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12299.3762 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MapZ SY' 1 $MapZ_SY A . yes native no no . . . 26053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MapZ_SY _Entity.Sf_category entity _Entity.Sf_framecode MapZ_SY _Entity.Entry_ID 26053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MapZ_SY _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMSRSEVNMGLSSAGVAVQ RSASRVAYNQSAIDDSNNSA WDFADGVLEQILATSRSRGY ITGDQYILERVNIVNGNGYY NLYKPDGTYLFTLNCKTGYF VGNGAGHADDLDY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue S4 from this sequence corresponds to residue 178 in the native protein.' _Entity.Polymer_author_seq_details 'Residues 1 to 3 correspond to the remnant of the Histidine-tag after cleavage.' _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Second subdomain (S355 - Y464) of MapZ extracellular domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12299.3762 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8DR55 . 'Mid-cell-anchored protein Z (MapZ)' . . . . . . . . . . . . . . 26053 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26053 1 2 2 HIS . 26053 1 3 3 MET . 26053 1 4 4 SER . 26053 1 5 5 ARG . 26053 1 6 6 SER . 26053 1 7 7 GLU . 26053 1 8 8 VAL . 26053 1 9 9 ASN . 26053 1 10 10 MET . 26053 1 11 11 GLY . 26053 1 12 12 LEU . 26053 1 13 13 SER . 26053 1 14 14 SER . 26053 1 15 15 ALA . 26053 1 16 16 GLY . 26053 1 17 17 VAL . 26053 1 18 18 ALA . 26053 1 19 19 VAL . 26053 1 20 20 GLN . 26053 1 21 21 ARG . 26053 1 22 22 SER . 26053 1 23 23 ALA . 26053 1 24 24 SER . 26053 1 25 25 ARG . 26053 1 26 26 VAL . 26053 1 27 27 ALA . 26053 1 28 28 TYR . 26053 1 29 29 ASN . 26053 1 30 30 GLN . 26053 1 31 31 SER . 26053 1 32 32 ALA . 26053 1 33 33 ILE . 26053 1 34 34 ASP . 26053 1 35 35 ASP . 26053 1 36 36 SER . 26053 1 37 37 ASN . 26053 1 38 38 ASN . 26053 1 39 39 SER . 26053 1 40 40 ALA . 26053 1 41 41 TRP . 26053 1 42 42 ASP . 26053 1 43 43 PHE . 26053 1 44 44 ALA . 26053 1 45 45 ASP . 26053 1 46 46 GLY . 26053 1 47 47 VAL . 26053 1 48 48 LEU . 26053 1 49 49 GLU . 26053 1 50 50 GLN . 26053 1 51 51 ILE . 26053 1 52 52 LEU . 26053 1 53 53 ALA . 26053 1 54 54 THR . 26053 1 55 55 SER . 26053 1 56 56 ARG . 26053 1 57 57 SER . 26053 1 58 58 ARG . 26053 1 59 59 GLY . 26053 1 60 60 TYR . 26053 1 61 61 ILE . 26053 1 62 62 THR . 26053 1 63 63 GLY . 26053 1 64 64 ASP . 26053 1 65 65 GLN . 26053 1 66 66 TYR . 26053 1 67 67 ILE . 26053 1 68 68 LEU . 26053 1 69 69 GLU . 26053 1 70 70 ARG . 26053 1 71 71 VAL . 26053 1 72 72 ASN . 26053 1 73 73 ILE . 26053 1 74 74 VAL . 26053 1 75 75 ASN . 26053 1 76 76 GLY . 26053 1 77 77 ASN . 26053 1 78 78 GLY . 26053 1 79 79 TYR . 26053 1 80 80 TYR . 26053 1 81 81 ASN . 26053 1 82 82 LEU . 26053 1 83 83 TYR . 26053 1 84 84 LYS . 26053 1 85 85 PRO . 26053 1 86 86 ASP . 26053 1 87 87 GLY . 26053 1 88 88 THR . 26053 1 89 89 TYR . 26053 1 90 90 LEU . 26053 1 91 91 PHE . 26053 1 92 92 THR . 26053 1 93 93 LEU . 26053 1 94 94 ASN . 26053 1 95 95 CYS . 26053 1 96 96 LYS . 26053 1 97 97 THR . 26053 1 98 98 GLY . 26053 1 99 99 TYR . 26053 1 100 100 PHE . 26053 1 101 101 VAL . 26053 1 102 102 GLY . 26053 1 103 103 ASN . 26053 1 104 104 GLY . 26053 1 105 105 ALA . 26053 1 106 106 GLY . 26053 1 107 107 HIS . 26053 1 108 108 ALA . 26053 1 109 109 ASP . 26053 1 110 110 ASP . 26053 1 111 111 LEU . 26053 1 112 112 ASP . 26053 1 113 113 TYR . 26053 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 . GLY 1 1 26053 1 . HIS 2 2 26053 1 . MET 3 3 26053 1 . SER 4 4 26053 1 . ARG 5 5 26053 1 . SER 6 6 26053 1 . GLU 7 7 26053 1 . VAL 8 8 26053 1 . ASN 9 9 26053 1 . MET 10 10 26053 1 . GLY 11 11 26053 1 . LEU 12 12 26053 1 . SER 13 13 26053 1 . SER 14 14 26053 1 . ALA 15 15 26053 1 . GLY 16 16 26053 1 . VAL 17 17 26053 1 . ALA 18 18 26053 1 . VAL 19 19 26053 1 . GLN 20 20 26053 1 . ARG 21 21 26053 1 . SER 22 22 26053 1 . ALA 23 23 26053 1 . SER 24 24 26053 1 . ARG 25 25 26053 1 . VAL 26 26 26053 1 . ALA 27 27 26053 1 . TYR 28 28 26053 1 . ASN 29 29 26053 1 . GLN 30 30 26053 1 . SER 31 31 26053 1 . ALA 32 32 26053 1 . ILE 33 33 26053 1 . ASP 34 34 26053 1 . ASP 35 35 26053 1 . SER 36 36 26053 1 . ASN 37 37 26053 1 . ASN 38 38 26053 1 . SER 39 39 26053 1 . ALA 40 40 26053 1 . TRP 41 41 26053 1 . ASP 42 42 26053 1 . PHE 43 43 26053 1 . ALA 44 44 26053 1 . ASP 45 45 26053 1 . GLY 46 46 26053 1 . VAL 47 47 26053 1 . LEU 48 48 26053 1 . GLU 49 49 26053 1 . GLN 50 50 26053 1 . ILE 51 51 26053 1 . LEU 52 52 26053 1 . ALA 53 53 26053 1 . THR 54 54 26053 1 . SER 55 55 26053 1 . ARG 56 56 26053 1 . SER 57 57 26053 1 . ARG 58 58 26053 1 . GLY 59 59 26053 1 . TYR 60 60 26053 1 . ILE 61 61 26053 1 . THR 62 62 26053 1 . GLY 63 63 26053 1 . ASP 64 64 26053 1 . GLN 65 65 26053 1 . TYR 66 66 26053 1 . ILE 67 67 26053 1 . LEU 68 68 26053 1 . GLU 69 69 26053 1 . ARG 70 70 26053 1 . VAL 71 71 26053 1 . ASN 72 72 26053 1 . ILE 73 73 26053 1 . VAL 74 74 26053 1 . ASN 75 75 26053 1 . GLY 76 76 26053 1 . ASN 77 77 26053 1 . GLY 78 78 26053 1 . TYR 79 79 26053 1 . TYR 80 80 26053 1 . ASN 81 81 26053 1 . LEU 82 82 26053 1 . TYR 83 83 26053 1 . LYS 84 84 26053 1 . PRO 85 85 26053 1 . ASP 86 86 26053 1 . GLY 87 87 26053 1 . THR 88 88 26053 1 . TYR 89 89 26053 1 . LEU 90 90 26053 1 . PHE 91 91 26053 1 . THR 92 92 26053 1 . LEU 93 93 26053 1 . ASN 94 94 26053 1 . CYS 95 95 26053 1 . LYS 96 96 26053 1 . THR 97 97 26053 1 . GLY 98 98 26053 1 . TYR 99 99 26053 1 . PHE 100 100 26053 1 . VAL 101 101 26053 1 . GLY 102 102 26053 1 . ASN 103 103 26053 1 . GLY 104 104 26053 1 . ALA 105 105 26053 1 . GLY 106 106 26053 1 . HIS 107 107 26053 1 . ALA 108 108 26053 1 . ASP 109 109 26053 1 . ASP 110 110 26053 1 . LEU 111 111 26053 1 . ASP 112 112 26053 1 . TYR 113 113 26053 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 26053 _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 $MapZ_SY . 1313 organism . 'Streptococcus pneumoniae' firmicutes . . Bacteria . Streptococcus pneumoniae R6 . . . . . . . . . . mapZ . 26053 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 26053 _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 $MapZ_SY . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . pETPhos-MapZextra2 . . . 26053 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26053 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 MapZ_extra2 '[U-100% 13C; U-100% 15N]' . . 1 $MapZ_SY . . 2.5 . . mM . . . . 26053 1 2 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 26053 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26053 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26053 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26053 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 26053 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 26053 1 pH 7.5 . pH 26053 1 pressure 1.0 . atm 26053 1 temperature 298 . K 26053 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 26053 _Software.ID 1 _Software.Name Aria _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'W. Rieping, M. Habeck, B. Bardiaux, A. Bernard, T.E. Malliavin and M. Nilges' . http://aria.pasteur.fr 26053 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculation' 26053 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26053 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A. Brunger, P. Adams, G. Clore, P. Gros, M. Nilges and R. Read' . . 26053 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Refinement 26053 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26053 _Software.ID 3 _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26053 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 26053 3 stop_ save_ save_Talos+ _Software.Sf_category software _Software.Sf_framecode Talos+ _Software.Entry_ID 26053 _Software.ID 4 _Software.Name Talos+ _Software.Version 1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Y. Shen, F. Delaglio, G. Cornilescu and A. Bax' . . 26053 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 26053 4 stop_ save_ save_Unio10 _Software.Sf_category software _Software.Sf_framecode Unio10 _Software.Entry_ID 26053 _Software.ID 5 _Software.Name Unio10' _Software.Version 2.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann*' . . 26053 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Peakpicking 26053 5 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 26053 _Software.ID 6 _Software.Name nmrPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio, S. Grzesiek,G.W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . . 26053 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 26053 6 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 26053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26053 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26053 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26053 _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 . 850 . . . 26053 1 2 spectrometer_2 Bruker Avance . 950 . . . 26053 1 3 spectrometer_3 Bruker Avance . 600 . . . 26053 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 26053 _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/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26053 1 2 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26053 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26053 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26053 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26053 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26053 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26053 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26053 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26053 1 10 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26053 1 11 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26053 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26053 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 26053 _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 . indirect 0.251449530 . . . . . 26053 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . 26053 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 26053 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26053 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _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/HMQC' 1 $sample_1 isotropic 26053 1 3 '3D HNCO' 1 $sample_1 isotropic 26053 1 4 '3D HNCACB' 1 $sample_1 isotropic 26053 1 6 '3D C(CO)NH' 1 $sample_1 isotropic 26053 1 7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26053 1 10 '2D 1H-13C HSQC/HMQC' 1 $sample_1 isotropic 26053 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 3 $CcpNmr_Analysis 0 . 26053 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET HE1 H 1 2.082 0.002 . 1 . 611 . A 3 MET HE1 . 26053 1 2 . 1 1 3 3 MET HE2 H 1 2.082 0.002 . 1 . 611 . A 3 MET HE2 . 26053 1 3 . 1 1 3 3 MET HE3 H 1 2.082 0.002 . 1 . 611 . A 3 MET HE3 . 26053 1 4 . 1 1 3 3 MET CE C 13 16.878 0.001 . 1 . 610 . A 3 MET CE . 26053 1 5 . 1 1 6 6 SER HA H 1 4.464 0.005 . 1 . 1011 . A 6 SER HA . 26053 1 6 . 1 1 6 6 SER HB2 H 1 3.888 0.003 . 2 . 1010 . A 6 SER HB2 . 26053 1 7 . 1 1 6 6 SER HB3 H 1 3.889 0.003 . 2 . 1012 . A 6 SER HB3 . 26053 1 8 . 1 1 6 6 SER C C 13 174.460 0.003 . 1 . 583 . A 6 SER C . 26053 1 9 . 1 1 6 6 SER CA C 13 58.493 0.026 . 1 . 501 . A 6 SER CA . 26053 1 10 . 1 1 6 6 SER CB C 13 63.850 0.057 . 1 . 502 . A 6 SER CB . 26053 1 11 . 1 1 7 7 GLU H H 1 8.476 0.005 . 1 . 113 . A 7 GLU H . 26053 1 12 . 1 1 7 7 GLU HA H 1 4.373 0.01 . 1 . 595 . A 7 GLU HA . 26053 1 13 . 1 1 7 7 GLU HB2 H 1 2.072 0.012 . 2 . 598 . A 7 GLU HB2 . 26053 1 14 . 1 1 7 7 GLU HB3 H 1 1.944 0.009 . 2 . 599 . A 7 GLU HB3 . 26053 1 15 . 1 1 7 7 GLU HG2 H 1 2.272 0.014 . 2 . 596 . A 7 GLU HG2 . 26053 1 16 . 1 1 7 7 GLU HG3 H 1 2.238 0.02 . 2 . 597 . A 7 GLU HG3 . 26053 1 17 . 1 1 7 7 GLU C C 13 176.345 0.017 . 1 . 402 . A 7 GLU C . 26053 1 18 . 1 1 7 7 GLU CA C 13 56.507 0.052 . 1 . 393 . A 7 GLU CA . 26053 1 19 . 1 1 7 7 GLU CB C 13 30.461 0.078 . 1 . 392 . A 7 GLU CB . 26053 1 20 . 1 1 7 7 GLU CG C 13 36.336 0.034 . 1 . 503 . A 7 GLU CG . 26053 1 21 . 1 1 7 7 GLU N N 15 123.126 0.112 . 1 . 114 . A 7 GLU N . 26053 1 22 . 1 1 8 8 VAL H H 1 8.139 0.007 . 1 . 79 . A 8 VAL H . 26053 1 23 . 1 1 8 8 VAL HA H 1 3.990 0.011 . 1 . 603 . A 8 VAL HA . 26053 1 24 . 1 1 8 8 VAL HB H 1 2.026 0.004 . 1 . 600 . A 8 VAL HB . 26053 1 25 . 1 1 8 8 VAL HG11 H 1 0.826 0.006 . 2 . 601 . A 8 VAL HG11 . 26053 1 26 . 1 1 8 8 VAL HG12 H 1 0.826 0.006 . 2 . 601 . A 8 VAL HG12 . 26053 1 27 . 1 1 8 8 VAL HG13 H 1 0.826 0.006 . 2 . 601 . A 8 VAL HG13 . 26053 1 28 . 1 1 8 8 VAL HG21 H 1 0.944 0.014 . 2 . 602 . A 8 VAL HG21 . 26053 1 29 . 1 1 8 8 VAL HG22 H 1 0.944 0.014 . 2 . 602 . A 8 VAL HG22 . 26053 1 30 . 1 1 8 8 VAL HG23 H 1 0.944 0.014 . 2 . 602 . A 8 VAL HG23 . 26053 1 31 . 1 1 8 8 VAL C C 13 175.329 0.012 . 1 . 403 . A 8 VAL C . 26053 1 32 . 1 1 8 8 VAL CA C 13 62.175 0.037 . 1 . 390 . A 8 VAL CA . 26053 1 33 . 1 1 8 8 VAL CB C 13 33.099 0.029 . 1 . 391 . A 8 VAL CB . 26053 1 34 . 1 1 8 8 VAL CG1 C 13 21.524 0.024 . 2 . 505 . A 8 VAL CG1 . 26053 1 35 . 1 1 8 8 VAL CG2 C 13 21.010 0.071 . 2 . 504 . A 8 VAL CG2 . 26053 1 36 . 1 1 8 8 VAL N N 15 120.816 0.104 . 1 . 80 . A 8 VAL N . 26053 1 37 . 1 1 9 9 ASN H H 1 8.411 0.003 . 1 . 97 . A 9 ASN H . 26053 1 38 . 1 1 9 9 ASN HA H 1 4.717 0.002 . 1 . 606 . A 9 ASN HA . 26053 1 39 . 1 1 9 9 ASN HB2 H 1 2.751 0.006 . 2 . 604 . A 9 ASN HB2 . 26053 1 40 . 1 1 9 9 ASN HB3 H 1 2.910 0.007 . 2 . 605 . A 9 ASN HB3 . 26053 1 41 . 1 1 9 9 ASN HD21 H 1 6.942 0.009 . 1 . 1061 . A 9 ASN HD21 . 26053 1 42 . 1 1 9 9 ASN HD22 H 1 7.527 0.003 . 1 . 1062 . A 9 ASN HD22 . 26053 1 43 . 1 1 9 9 ASN C C 13 175.366 0.018 . 1 . 404 . A 9 ASN C . 26053 1 44 . 1 1 9 9 ASN CA C 13 53.011 0.065 . 1 . 389 . A 9 ASN CA . 26053 1 45 . 1 1 9 9 ASN CB C 13 38.155 0.035 . 1 . 388 . A 9 ASN CB . 26053 1 46 . 1 1 9 9 ASN N N 15 122.704 0.08 . 1 . 98 . A 9 ASN N . 26053 1 47 . 1 1 9 9 ASN ND2 N 15 111.680 0.042 . 1 . 1060 . A 9 ASN ND2 . 26053 1 48 . 1 1 10 10 MET H H 1 8.583 0.005 . 1 . 19 . A 10 MET H . 26053 1 49 . 1 1 10 10 MET HA H 1 4.719 0.002 . 1 . 607 . A 10 MET HA . 26053 1 50 . 1 1 10 10 MET HB2 H 1 2.039 0.009 . 2 . 612 . A 10 MET HB2 . 26053 1 51 . 1 1 10 10 MET HB3 H 1 2.515 0.004 . 2 . 1017 . A 10 MET HB3 . 26053 1 52 . 1 1 10 10 MET HG2 H 1 2.596 0.015 . 2 . 614 . A 10 MET HG2 . 26053 1 53 . 1 1 10 10 MET HG3 H 1 2.731 0.007 . 2 . 1018 . A 10 MET HG3 . 26053 1 54 . 1 1 10 10 MET HE1 H 1 2.165 0.011 . 1 . 609 . A 10 MET HE1 . 26053 1 55 . 1 1 10 10 MET HE2 H 1 2.165 0.011 . 1 . 609 . A 10 MET HE2 . 26053 1 56 . 1 1 10 10 MET HE3 H 1 2.165 0.011 . 1 . 609 . A 10 MET HE3 . 26053 1 57 . 1 1 10 10 MET C C 13 176.144 0.013 . 1 . 405 . A 10 MET C . 26053 1 58 . 1 1 10 10 MET CA C 13 55.094 0.071 . 1 . 394 . A 10 MET CA . 26053 1 59 . 1 1 10 10 MET CB C 13 31.793 0.027 . 1 . 395 . A 10 MET CB . 26053 1 60 . 1 1 10 10 MET CG C 13 32.626 0.042 . 1 . 613 . A 10 MET CG . 26053 1 61 . 1 1 10 10 MET CE C 13 17.144 0.006 . 1 . 608 . A 10 MET CE . 26053 1 62 . 1 1 10 10 MET N N 15 123.821 0.078 . 1 . 20 . A 10 MET N . 26053 1 63 . 1 1 11 11 GLY H H 1 8.387 0.006 . 1 . 149 . A 11 GLY H . 26053 1 64 . 1 1 11 11 GLY HA2 H 1 3.102 0.008 . 2 . 615 . A 11 GLY HA2 . 26053 1 65 . 1 1 11 11 GLY HA3 H 1 3.662 0.004 . 2 . 616 . A 11 GLY HA3 . 26053 1 66 . 1 1 11 11 GLY C C 13 174.623 0.024 . 1 . 406 . A 11 GLY C . 26053 1 67 . 1 1 11 11 GLY CA C 13 44.501 0.04 . 1 . 396 . A 11 GLY CA . 26053 1 68 . 1 1 11 11 GLY N N 15 109.338 0.116 . 1 . 150 . A 11 GLY N . 26053 1 69 . 1 1 12 12 LEU H H 1 8.600 0.005 . 1 . 73 . A 12 LEU H . 26053 1 70 . 1 1 12 12 LEU HA H 1 4.232 0.006 . 1 . 617 . A 12 LEU HA . 26053 1 71 . 1 1 12 12 LEU HB2 H 1 1.417 0.006 . 2 . 618 . A 12 LEU HB2 . 26053 1 72 . 1 1 12 12 LEU HB3 H 1 1.543 0.006 . 2 . 619 . A 12 LEU HB3 . 26053 1 73 . 1 1 12 12 LEU HG H 1 1.695 0.005 . 1 . 622 . A 12 LEU HG . 26053 1 74 . 1 1 12 12 LEU HD11 H 1 0.775 0.005 . 2 . 620 . A 12 LEU HD11 . 26053 1 75 . 1 1 12 12 LEU HD12 H 1 0.775 0.005 . 2 . 620 . A 12 LEU HD12 . 26053 1 76 . 1 1 12 12 LEU HD13 H 1 0.775 0.005 . 2 . 620 . A 12 LEU HD13 . 26053 1 77 . 1 1 12 12 LEU HD21 H 1 0.853 0.009 . 2 . 621 . A 12 LEU HD21 . 26053 1 78 . 1 1 12 12 LEU HD22 H 1 0.853 0.009 . 2 . 621 . A 12 LEU HD22 . 26053 1 79 . 1 1 12 12 LEU HD23 H 1 0.853 0.009 . 2 . 621 . A 12 LEU HD23 . 26053 1 80 . 1 1 12 12 LEU C C 13 177.199 0.009 . 1 . 407 . A 12 LEU C . 26053 1 81 . 1 1 12 12 LEU CA C 13 54.052 0.04 . 1 . 398 . A 12 LEU CA . 26053 1 82 . 1 1 12 12 LEU CB C 13 43.159 0.034 . 1 . 397 . A 12 LEU CB . 26053 1 83 . 1 1 12 12 LEU CG C 13 26.869 0.014 . 1 . 507 . A 12 LEU CG . 26053 1 84 . 1 1 12 12 LEU CD1 C 13 25.650 0.025 . 2 . 506 . A 12 LEU CD1 . 26053 1 85 . 1 1 12 12 LEU CD2 C 13 22.401 0.03 . 2 . 508 . A 12 LEU CD2 . 26053 1 86 . 1 1 12 12 LEU N N 15 121.233 0.071 . 1 . 74 . A 12 LEU N . 26053 1 87 . 1 1 13 13 SER H H 1 8.240 0.004 . 1 . 141 . A 13 SER H . 26053 1 88 . 1 1 13 13 SER HA H 1 4.384 0.006 . 1 . 623 . A 13 SER HA . 26053 1 89 . 1 1 13 13 SER HB2 H 1 4.031 0.01 . 2 . 624 . A 13 SER HB2 . 26053 1 90 . 1 1 13 13 SER HB3 H 1 3.759 0.007 . 2 . 625 . A 13 SER HB3 . 26053 1 91 . 1 1 13 13 SER C C 13 175.430 0.003 . 1 . 408 . A 13 SER C . 26053 1 92 . 1 1 13 13 SER CA C 13 57.986 0.053 . 1 . 399 . A 13 SER CA . 26053 1 93 . 1 1 13 13 SER CB C 13 63.634 0.089 . 1 . 631 . A 13 SER CB . 26053 1 94 . 1 1 13 13 SER N N 15 112.929 0.078 . 1 . 142 . A 13 SER N . 26053 1 95 . 1 1 14 14 SER H H 1 8.595 0.009 . 1 . 67 . A 14 SER H . 26053 1 96 . 1 1 14 14 SER HA H 1 4.247 0.002 . 1 . 632 . A 14 SER HA . 26053 1 97 . 1 1 14 14 SER HB2 H 1 3.979 0.011 . 2 . 629 . A 14 SER HB2 . 26053 1 98 . 1 1 14 14 SER HB3 H 1 3.650 0.006 . 2 . 630 . A 14 SER HB3 . 26053 1 99 . 1 1 14 14 SER C C 13 174.975 0.01 . 1 . 409 . A 14 SER C . 26053 1 100 . 1 1 14 14 SER CA C 13 57.588 0.034 . 1 . 411 . A 14 SER CA . 26053 1 101 . 1 1 14 14 SER CB C 13 63.716 0.095 . 1 . 410 . A 14 SER CB . 26053 1 102 . 1 1 14 14 SER N N 15 118.670 0.074 . 1 . 68 . A 14 SER N . 26053 1 103 . 1 1 15 15 ALA H H 1 8.069 0.004 . 1 . 129 . A 15 ALA H . 26053 1 104 . 1 1 15 15 ALA HA H 1 4.141 0.006 . 1 . 634 . A 15 ALA HA . 26053 1 105 . 1 1 15 15 ALA HB1 H 1 1.314 0.005 . 1 . 633 . A 15 ALA HB1 . 26053 1 106 . 1 1 15 15 ALA HB2 H 1 1.314 0.005 . 1 . 633 . A 15 ALA HB2 . 26053 1 107 . 1 1 15 15 ALA HB3 H 1 1.314 0.005 . 1 . 633 . A 15 ALA HB3 . 26053 1 108 . 1 1 15 15 ALA C C 13 178.861 0.1 . 1 . 628 . A 15 ALA C . 26053 1 109 . 1 1 15 15 ALA CA C 13 53.980 0.038 . 1 . 626 . A 15 ALA CA . 26053 1 110 . 1 1 15 15 ALA CB C 13 17.881 0.023 . 1 . 627 . A 15 ALA CB . 26053 1 111 . 1 1 15 15 ALA N N 15 127.015 0.096 . 1 . 130 . A 15 ALA N . 26053 1 112 . 1 1 16 16 GLY HA2 H 1 3.739 0.005 . 2 . 635 . A 16 GLY HA2 . 26053 1 113 . 1 1 16 16 GLY HA3 H 1 3.999 0.015 . 2 . 636 . A 16 GLY HA3 . 26053 1 114 . 1 1 16 16 GLY C C 13 173.722 0.0 . 1 . 584 . A 16 GLY C . 26053 1 115 . 1 1 16 16 GLY CA C 13 45.646 0.018 . 1 . 509 . A 16 GLY CA . 26053 1 116 . 1 1 17 17 VAL H H 1 7.799 0.007 . 1 . 115 . A 17 VAL H . 26053 1 117 . 1 1 17 17 VAL HA H 1 3.948 0.011 . 1 . 637 . A 17 VAL HA . 26053 1 118 . 1 1 17 17 VAL HB H 1 1.784 0.006 . 1 . 638 . A 17 VAL HB . 26053 1 119 . 1 1 17 17 VAL HG11 H 1 0.755 0.009 . 2 . 639 . A 17 VAL HG11 . 26053 1 120 . 1 1 17 17 VAL HG12 H 1 0.755 0.009 . 2 . 639 . A 17 VAL HG12 . 26053 1 121 . 1 1 17 17 VAL HG13 H 1 0.755 0.009 . 2 . 639 . A 17 VAL HG13 . 26053 1 122 . 1 1 17 17 VAL HG21 H 1 0.543 0.006 . 2 . 640 . A 17 VAL HG21 . 26053 1 123 . 1 1 17 17 VAL HG22 H 1 0.543 0.006 . 2 . 640 . A 17 VAL HG22 . 26053 1 124 . 1 1 17 17 VAL HG23 H 1 0.543 0.006 . 2 . 640 . A 17 VAL HG23 . 26053 1 125 . 1 1 17 17 VAL C C 13 175.578 0.013 . 1 . 455 . A 17 VAL C . 26053 1 126 . 1 1 17 17 VAL CA C 13 61.387 0.082 . 1 . 453 . A 17 VAL CA . 26053 1 127 . 1 1 17 17 VAL CB C 13 33.051 0.051 . 1 . 454 . A 17 VAL CB . 26053 1 128 . 1 1 17 17 VAL CG1 C 13 21.104 0.039 . 2 . 510 . A 17 VAL CG1 . 26053 1 129 . 1 1 17 17 VAL CG2 C 13 21.069 0.022 . 2 . 511 . A 17 VAL CG2 . 26053 1 130 . 1 1 17 17 VAL N N 15 121.164 0.075 . 1 . 116 . A 17 VAL N . 26053 1 131 . 1 1 18 18 ALA H H 1 8.661 0.012 . 1 . 103 . A 18 ALA H . 26053 1 132 . 1 1 18 18 ALA HA H 1 4.503 0.008 . 1 . 642 . A 18 ALA HA . 26053 1 133 . 1 1 18 18 ALA HB1 H 1 1.258 0.005 . 1 . 641 . A 18 ALA HB1 . 26053 1 134 . 1 1 18 18 ALA HB2 H 1 1.258 0.005 . 1 . 641 . A 18 ALA HB2 . 26053 1 135 . 1 1 18 18 ALA HB3 H 1 1.258 0.005 . 1 . 641 . A 18 ALA HB3 . 26053 1 136 . 1 1 18 18 ALA C C 13 175.952 0.008 . 1 . 456 . A 18 ALA C . 26053 1 137 . 1 1 18 18 ALA CA C 13 50.498 0.035 . 1 . 452 . A 18 ALA CA . 26053 1 138 . 1 1 18 18 ALA CB C 13 16.111 0.024 . 1 . 451 . A 18 ALA CB . 26053 1 139 . 1 1 18 18 ALA N N 15 132.796 0.085 . 1 . 104 . A 18 ALA N . 26053 1 140 . 1 1 19 19 VAL H H 1 7.759 0.007 . 1 . 169 . A 19 VAL H . 26053 1 141 . 1 1 19 19 VAL HA H 1 3.447 0.005 . 1 . 646 . A 19 VAL HA . 26053 1 142 . 1 1 19 19 VAL HB H 1 1.408 0.007 . 1 . 645 . A 19 VAL HB . 26053 1 143 . 1 1 19 19 VAL HG11 H 1 0.638 0.011 . 2 . 643 . A 19 VAL HG11 . 26053 1 144 . 1 1 19 19 VAL HG12 H 1 0.638 0.011 . 2 . 643 . A 19 VAL HG12 . 26053 1 145 . 1 1 19 19 VAL HG13 H 1 0.638 0.011 . 2 . 643 . A 19 VAL HG13 . 26053 1 146 . 1 1 19 19 VAL HG21 H 1 -0.187 0.005 . 2 . 644 . A 19 VAL HG21 . 26053 1 147 . 1 1 19 19 VAL HG22 H 1 -0.187 0.005 . 2 . 644 . A 19 VAL HG22 . 26053 1 148 . 1 1 19 19 VAL HG23 H 1 -0.187 0.005 . 2 . 644 . A 19 VAL HG23 . 26053 1 149 . 1 1 19 19 VAL C C 13 178.250 0.008 . 1 . 457 . A 19 VAL C . 26053 1 150 . 1 1 19 19 VAL CA C 13 63.602 0.03 . 1 . 450 . A 19 VAL CA . 26053 1 151 . 1 1 19 19 VAL CB C 13 31.754 0.051 . 1 . 449 . A 19 VAL CB . 26053 1 152 . 1 1 19 19 VAL CG1 C 13 21.946 0.017 . 2 . 513 . A 19 VAL CG1 . 26053 1 153 . 1 1 19 19 VAL CG2 C 13 20.671 0.017 . 2 . 512 . A 19 VAL CG2 . 26053 1 154 . 1 1 19 19 VAL N N 15 123.887 0.078 . 1 . 170 . A 19 VAL N . 26053 1 155 . 1 1 20 20 GLN H H 1 8.577 0.008 . 1 . 191 . A 20 GLN H . 26053 1 156 . 1 1 20 20 GLN HA H 1 4.478 0.003 . 1 . 647 . A 20 GLN HA . 26053 1 157 . 1 1 20 20 GLN HB2 H 1 2.458 0.008 . 2 . 648 . A 20 GLN HB2 . 26053 1 158 . 1 1 20 20 GLN HB3 H 1 2.216 0.007 . 2 . 649 . A 20 GLN HB3 . 26053 1 159 . 1 1 20 20 GLN HG2 H 1 2.548 0.011 . 2 . 650 . A 20 GLN HG2 . 26053 1 160 . 1 1 20 20 GLN HG3 H 1 2.415 0.011 . 2 . 651 . A 20 GLN HG3 . 26053 1 161 . 1 1 20 20 GLN HE21 H 1 7.546 0.003 . 1 . 1055 . A 20 GLN HE21 . 26053 1 162 . 1 1 20 20 GLN HE22 H 1 6.950 0.003 . 1 . 1056 . A 20 GLN HE22 . 26053 1 163 . 1 1 20 20 GLN C C 13 176.620 0.013 . 1 . 458 . A 20 GLN C . 26053 1 164 . 1 1 20 20 GLN CA C 13 55.106 0.057 . 1 . 448 . A 20 GLN CA . 26053 1 165 . 1 1 20 20 GLN CB C 13 27.095 0.034 . 1 . 447 . A 20 GLN CB . 26053 1 166 . 1 1 20 20 GLN CG C 13 33.806 0.089 . 1 . 514 . A 20 GLN CG . 26053 1 167 . 1 1 20 20 GLN N N 15 130.865 0.109 . 1 . 192 . A 20 GLN N . 26053 1 168 . 1 1 20 20 GLN NE2 N 15 112.325 0.044 . 1 . 1054 . A 20 GLN NE2 . 26053 1 169 . 1 1 21 21 ARG H H 1 8.300 0.003 . 1 . 99 . A 21 ARG H . 26053 1 170 . 1 1 21 21 ARG HA H 1 4.408 0.007 . 1 . 1122 . A 21 ARG HA . 26053 1 171 . 1 1 21 21 ARG HB2 H 1 1.385 0.006 . 2 . 1126 . A 21 ARG HB2 . 26053 1 172 . 1 1 21 21 ARG HB3 H 1 1.512 0.009 . 2 . 1127 . A 21 ARG HB3 . 26053 1 173 . 1 1 21 21 ARG HG2 H 1 1.386 0.011 . 2 . 1123 . A 21 ARG HG2 . 26053 1 174 . 1 1 21 21 ARG HG3 H 1 1.277 0.006 . 2 . 1125 . A 21 ARG HG3 . 26053 1 175 . 1 1 21 21 ARG HD2 H 1 2.754 0.013 . 2 . 1128 . A 21 ARG HD2 . 26053 1 176 . 1 1 21 21 ARG HD3 H 1 1.712 0.009 . 2 . 1130 . A 21 ARG HD3 . 26053 1 177 . 1 1 21 21 ARG C C 13 179.861 0.1 . 1 . 459 . A 21 ARG C . 26053 1 178 . 1 1 21 21 ARG CA C 13 59.801 0.063 . 1 . 461 . A 21 ARG CA . 26053 1 179 . 1 1 21 21 ARG CB C 13 29.236 0.053 . 1 . 460 . A 21 ARG CB . 26053 1 180 . 1 1 21 21 ARG CG C 13 30.547 0.097 . 1 . 1124 . A 21 ARG CG . 26053 1 181 . 1 1 21 21 ARG CD C 13 42.512 0.053 . 1 . 1129 . A 21 ARG CD . 26053 1 182 . 1 1 21 21 ARG N N 15 123.701 0.078 . 1 . 100 . A 21 ARG N . 26053 1 183 . 1 1 22 22 SER HA H 1 4.130 0.002 . 1 . 652 . A 22 SER HA . 26053 1 184 . 1 1 22 22 SER HB2 H 1 3.864 0.005 . 2 . 653 . A 22 SER HB2 . 26053 1 185 . 1 1 22 22 SER HB3 H 1 3.973 0.012 . 2 . 654 . A 22 SER HB3 . 26053 1 186 . 1 1 22 22 SER C C 13 174.676 0.1 . 1 . 585 . A 22 SER C . 26053 1 187 . 1 1 22 22 SER CA C 13 60.001 0.071 . 1 . 515 . A 22 SER CA . 26053 1 188 . 1 1 22 22 SER CB C 13 62.566 0.079 . 1 . 516 . A 22 SER CB . 26053 1 189 . 1 1 23 23 ALA H H 1 7.169 0.003 . 1 . 133 . A 23 ALA H . 26053 1 190 . 1 1 23 23 ALA HA H 1 4.200 0.007 . 1 . 655 . A 23 ALA HA . 26053 1 191 . 1 1 23 23 ALA HB1 H 1 1.286 0.011 . 1 . 656 . A 23 ALA HB1 . 26053 1 192 . 1 1 23 23 ALA HB2 H 1 1.286 0.011 . 1 . 656 . A 23 ALA HB2 . 26053 1 193 . 1 1 23 23 ALA HB3 H 1 1.286 0.011 . 1 . 656 . A 23 ALA HB3 . 26053 1 194 . 1 1 23 23 ALA C C 13 175.928 0.013 . 1 . 426 . A 23 ALA C . 26053 1 195 . 1 1 23 23 ALA CA C 13 51.877 0.031 . 1 . 424 . A 23 ALA CA . 26053 1 196 . 1 1 23 23 ALA CB C 13 19.223 0.017 . 1 . 425 . A 23 ALA CB . 26053 1 197 . 1 1 23 23 ALA N N 15 123.313 0.094 . 1 . 134 . A 23 ALA N . 26053 1 198 . 1 1 24 24 SER H H 1 6.783 0.004 . 1 . 71 . A 24 SER H . 26053 1 199 . 1 1 24 24 SER HA H 1 2.953 0.015 . 1 . 657 . A 24 SER HA . 26053 1 200 . 1 1 24 24 SER HB2 H 1 3.717 0.008 . 2 . 658 . A 24 SER HB2 . 26053 1 201 . 1 1 24 24 SER HB3 H 1 3.857 0.005 . 2 . 659 . A 24 SER HB3 . 26053 1 202 . 1 1 24 24 SER C C 13 176.587 0.01 . 1 . 427 . A 24 SER C . 26053 1 203 . 1 1 24 24 SER CA C 13 58.740 0.021 . 1 . 421 . A 24 SER CA . 26053 1 204 . 1 1 24 24 SER CB C 13 62.830 0.025 . 1 . 420 . A 24 SER CB . 26053 1 205 . 1 1 24 24 SER N N 15 107.662 0.08 . 1 . 72 . A 24 SER N . 26053 1 206 . 1 1 25 25 ARG H H 1 7.577 0.007 . 1 . 77 . A 25 ARG H . 26053 1 207 . 1 1 25 25 ARG HA H 1 4.216 0.008 . 1 . 660 . A 25 ARG HA . 26053 1 208 . 1 1 25 25 ARG HB2 H 1 1.957 0.007 . 2 . 663 . A 25 ARG HB2 . 26053 1 209 . 1 1 25 25 ARG HB3 H 1 1.702 0.01 . 2 . 664 . A 25 ARG HB3 . 26053 1 210 . 1 1 25 25 ARG HG2 H 1 1.797 0.012 . 2 . 665 . A 25 ARG HG2 . 26053 1 211 . 1 1 25 25 ARG HG3 H 1 1.845 0.007 . 2 . 666 . A 25 ARG HG3 . 26053 1 212 . 1 1 25 25 ARG HD2 H 1 3.332 0.006 . 2 . 661 . A 25 ARG HD2 . 26053 1 213 . 1 1 25 25 ARG HD3 H 1 3.331 0.006 . 2 . 662 . A 25 ARG HD3 . 26053 1 214 . 1 1 25 25 ARG C C 13 175.713 0.004 . 1 . 428 . A 25 ARG C . 26053 1 215 . 1 1 25 25 ARG CA C 13 56.688 0.044 . 1 . 418 . A 25 ARG CA . 26053 1 216 . 1 1 25 25 ARG CB C 13 30.118 0.066 . 1 . 419 . A 25 ARG CB . 26053 1 217 . 1 1 25 25 ARG CG C 13 27.072 0.082 . 1 . 518 . A 25 ARG CG . 26053 1 218 . 1 1 25 25 ARG CD C 13 41.640 0.035 . 1 . 517 . A 25 ARG CD . 26053 1 219 . 1 1 25 25 ARG N N 15 125.512 0.064 . 1 . 78 . A 25 ARG N . 26053 1 220 . 1 1 26 26 VAL H H 1 7.170 0.005 . 1 . 35 . A 26 VAL H . 26053 1 221 . 1 1 26 26 VAL HA H 1 4.055 0.008 . 1 . 667 . A 26 VAL HA . 26053 1 222 . 1 1 26 26 VAL HB H 1 1.557 0.01 . 1 . 668 . A 26 VAL HB . 26053 1 223 . 1 1 26 26 VAL HG11 H 1 0.677 0.01 . 2 . 670 . A 26 VAL HG11 . 26053 1 224 . 1 1 26 26 VAL HG12 H 1 0.677 0.01 . 2 . 670 . A 26 VAL HG12 . 26053 1 225 . 1 1 26 26 VAL HG13 H 1 0.677 0.01 . 2 . 670 . A 26 VAL HG13 . 26053 1 226 . 1 1 26 26 VAL HG21 H 1 0.705 0.014 . 2 . 851 . A 26 VAL HG21 . 26053 1 227 . 1 1 26 26 VAL HG22 H 1 0.705 0.014 . 2 . 851 . A 26 VAL HG22 . 26053 1 228 . 1 1 26 26 VAL HG23 H 1 0.705 0.014 . 2 . 851 . A 26 VAL HG23 . 26053 1 229 . 1 1 26 26 VAL C C 13 174.155 0.004 . 1 . 429 . A 26 VAL C . 26053 1 230 . 1 1 26 26 VAL CA C 13 60.800 0.015 . 1 . 416 . A 26 VAL CA . 26053 1 231 . 1 1 26 26 VAL CB C 13 34.919 0.024 . 1 . 417 . A 26 VAL CB . 26053 1 232 . 1 1 26 26 VAL CG1 C 13 20.371 0.056 . 2 . 519 . A 26 VAL CG1 . 26053 1 233 . 1 1 26 26 VAL CG2 C 13 21.852 0.042 . 2 . 850 . A 26 VAL CG2 . 26053 1 234 . 1 1 26 26 VAL N N 15 115.894 0.096 . 1 . 36 . A 26 VAL N . 26053 1 235 . 1 1 27 27 ALA H H 1 8.567 0.004 . 1 . 43 . A 27 ALA H . 26053 1 236 . 1 1 27 27 ALA HA H 1 4.229 0.011 . 1 . 671 . A 27 ALA HA . 26053 1 237 . 1 1 27 27 ALA HB1 H 1 1.320 0.014 . 1 . 672 . A 27 ALA HB1 . 26053 1 238 . 1 1 27 27 ALA HB2 H 1 1.320 0.014 . 1 . 672 . A 27 ALA HB2 . 26053 1 239 . 1 1 27 27 ALA HB3 H 1 1.320 0.014 . 1 . 672 . A 27 ALA HB3 . 26053 1 240 . 1 1 27 27 ALA C C 13 177.483 0.016 . 1 . 430 . A 27 ALA C . 26053 1 241 . 1 1 27 27 ALA CA C 13 52.826 0.032 . 1 . 415 . A 27 ALA CA . 26053 1 242 . 1 1 27 27 ALA CB C 13 18.806 0.021 . 1 . 414 . A 27 ALA CB . 26053 1 243 . 1 1 27 27 ALA N N 15 131.113 0.082 . 1 . 44 . A 27 ALA N . 26053 1 244 . 1 1 28 28 TYR H H 1 8.365 0.009 . 1 . 33 . A 28 TYR H . 26053 1 245 . 1 1 28 28 TYR HA H 1 4.346 0.01 . 1 . 673 . A 28 TYR HA . 26053 1 246 . 1 1 28 28 TYR HB2 H 1 3.006 0.004 . 2 . 674 . A 28 TYR HB2 . 26053 1 247 . 1 1 28 28 TYR HB3 H 1 2.779 0.01 . 2 . 675 . A 28 TYR HB3 . 26053 1 248 . 1 1 28 28 TYR HD1 H 1 7.350 0.003 . 1 . 1115 . A 28 TYR HD1 . 26053 1 249 . 1 1 28 28 TYR HD2 H 1 7.350 0.003 . 1 . 1115 . A 28 TYR HD2 . 26053 1 250 . 1 1 28 28 TYR HE1 H 1 6.914 0.005 . 1 . 1116 . A 28 TYR HE1 . 26053 1 251 . 1 1 28 28 TYR HE2 H 1 6.914 0.005 . 1 . 1116 . A 28 TYR HE2 . 26053 1 252 . 1 1 28 28 TYR C C 13 177.815 0.025 . 1 . 431 . A 28 TYR C . 26053 1 253 . 1 1 28 28 TYR CA C 13 59.043 0.058 . 1 . 412 . A 28 TYR CA . 26053 1 254 . 1 1 28 28 TYR CB C 13 39.400 0.061 . 1 . 413 . A 28 TYR CB . 26053 1 255 . 1 1 28 28 TYR CD1 C 13 133.520 0.045 . 1 . 1131 . A 28 TYR CD1 . 26053 1 256 . 1 1 28 28 TYR CD2 C 13 133.520 0.045 . 1 . 1131 . A 28 TYR CD2 . 26053 1 257 . 1 1 28 28 TYR CE1 C 13 119.259 0.095 . 1 . 1121 . A 28 TYR CE1 . 26053 1 258 . 1 1 28 28 TYR CE2 C 13 119.259 0.095 . 1 . 1121 . A 28 TYR CE2 . 26053 1 259 . 1 1 28 28 TYR N N 15 119.529 0.082 . 1 . 34 . A 28 TYR N . 26053 1 260 . 1 1 29 29 ASN H H 1 8.400 0.006 . 1 . 25 . A 29 ASN H . 26053 1 261 . 1 1 29 29 ASN HA H 1 5.004 0.003 . 1 . 677 . A 29 ASN HA . 26053 1 262 . 1 1 29 29 ASN HB2 H 1 2.674 0.005 . 2 . 678 . A 29 ASN HB2 . 26053 1 263 . 1 1 29 29 ASN HB3 H 1 3.026 0.009 . 2 . 679 . A 29 ASN HB3 . 26053 1 264 . 1 1 29 29 ASN HD21 H 1 7.574 0.005 . 1 . 1063 . A 29 ASN HD21 . 26053 1 265 . 1 1 29 29 ASN HD22 H 1 7.111 0.017 . 1 . 1065 . A 29 ASN HD22 . 26053 1 266 . 1 1 29 29 ASN C C 13 175.020 0.1 . 1 . 432 . A 29 ASN C . 26053 1 267 . 1 1 29 29 ASN CA C 13 51.137 0.044 . 1 . 433 . A 29 ASN CA . 26053 1 268 . 1 1 29 29 ASN CB C 13 39.514 0.062 . 1 . 676 . A 29 ASN CB . 26053 1 269 . 1 1 29 29 ASN N N 15 120.389 0.069 . 1 . 26 . A 29 ASN N . 26053 1 270 . 1 1 29 29 ASN ND2 N 15 111.439 0.116 . 1 . 1064 . A 29 ASN ND2 . 26053 1 271 . 1 1 30 30 GLN HA H 1 3.855 0.004 . 1 . 680 . A 30 GLN HA . 26053 1 272 . 1 1 30 30 GLN HB2 H 1 2.072 0.004 . 2 . 683 . A 30 GLN HB2 . 26053 1 273 . 1 1 30 30 GLN HB3 H 1 2.232 0.004 . 2 . 684 . A 30 GLN HB3 . 26053 1 274 . 1 1 30 30 GLN HG2 H 1 2.412 0.004 . 2 . 681 . A 30 GLN HG2 . 26053 1 275 . 1 1 30 30 GLN HG3 H 1 2.543 0.009 . 2 . 682 . A 30 GLN HG3 . 26053 1 276 . 1 1 30 30 GLN HE21 H 1 6.826 0.005 . 1 . 1028 . A 30 GLN HE21 . 26053 1 277 . 1 1 30 30 GLN HE22 H 1 8.070 0.009 . 1 . 1030 . A 30 GLN HE22 . 26053 1 278 . 1 1 30 30 GLN C C 13 176.594 0.006 . 1 . 579 . A 30 GLN C . 26053 1 279 . 1 1 30 30 GLN CA C 13 58.360 0.045 . 1 . 575 . A 30 GLN CA . 26053 1 280 . 1 1 30 30 GLN CB C 13 28.491 0.018 . 1 . 577 . A 30 GLN CB . 26053 1 281 . 1 1 30 30 GLN CG C 13 33.363 0.1 . 1 . 576 . A 30 GLN CG . 26053 1 282 . 1 1 30 30 GLN NE2 N 15 115.884 0.041 . 1 . 1029 . A 30 GLN NE2 . 26053 1 283 . 1 1 31 31 SER H H 1 8.126 0.005 . 1 . 139 . A 31 SER H . 26053 1 284 . 1 1 31 31 SER HA H 1 4.292 0.005 . 1 . 685 . A 31 SER HA . 26053 1 285 . 1 1 31 31 SER HB2 H 1 3.999 0.004 . 1 . 686 . A 31 SER HB2 . 26053 1 286 . 1 1 31 31 SER HB3 H 1 3.999 0.004 . 1 . 687 . A 31 SER HB3 . 26053 1 287 . 1 1 31 31 SER C C 13 176.597 0.008 . 1 . 297 . A 31 SER C . 26053 1 288 . 1 1 31 31 SER CA C 13 61.708 0.17 . 1 . 295 . A 31 SER CA . 26053 1 289 . 1 1 31 31 SER CB C 13 62.968 0.007 . 1 . 296 . A 31 SER CB . 26053 1 290 . 1 1 31 31 SER N N 15 112.516 0.062 . 1 . 140 . A 31 SER N . 26053 1 291 . 1 1 32 32 ALA H H 1 7.173 0.007 . 1 . 422 . A 32 ALA H . 26053 1 292 . 1 1 32 32 ALA HA H 1 4.493 0.004 . 1 . 689 . A 32 ALA HA . 26053 1 293 . 1 1 32 32 ALA HB1 H 1 1.641 0.008 . 1 . 688 . A 32 ALA HB1 . 26053 1 294 . 1 1 32 32 ALA HB2 H 1 1.641 0.008 . 1 . 688 . A 32 ALA HB2 . 26053 1 295 . 1 1 32 32 ALA HB3 H 1 1.641 0.008 . 1 . 688 . A 32 ALA HB3 . 26053 1 296 . 1 1 32 32 ALA C C 13 179.520 0.003 . 1 . 246 . A 32 ALA C . 26053 1 297 . 1 1 32 32 ALA CA C 13 54.590 0.035 . 1 . 521 . A 32 ALA CA . 26053 1 298 . 1 1 32 32 ALA CB C 13 18.225 0.029 . 1 . 520 . A 32 ALA CB . 26053 1 299 . 1 1 32 32 ALA N N 15 123.537 0.079 . 1 . 423 . A 32 ALA N . 26053 1 300 . 1 1 33 33 ILE H H 1 7.897 0.003 . 1 . 147 . A 33 ILE H . 26053 1 301 . 1 1 33 33 ILE HA H 1 3.369 0.01 . 1 . 690 . A 33 ILE HA . 26053 1 302 . 1 1 33 33 ILE HB H 1 1.738 0.003 . 1 . 691 . A 33 ILE HB . 26053 1 303 . 1 1 33 33 ILE HG12 H 1 1.663 0.014 . 2 . 692 . A 33 ILE HG12 . 26053 1 304 . 1 1 33 33 ILE HG13 H 1 0.497 0.008 . 2 . 693 . A 33 ILE HG13 . 26053 1 305 . 1 1 33 33 ILE HG21 H 1 0.788 0.004 . 1 . 694 . A 33 ILE HG21 . 26053 1 306 . 1 1 33 33 ILE HG22 H 1 0.788 0.004 . 1 . 694 . A 33 ILE HG22 . 26053 1 307 . 1 1 33 33 ILE HG23 H 1 0.788 0.004 . 1 . 694 . A 33 ILE HG23 . 26053 1 308 . 1 1 33 33 ILE HD11 H 1 0.977 0.007 . 1 . 695 . A 33 ILE HD11 . 26053 1 309 . 1 1 33 33 ILE HD12 H 1 0.977 0.007 . 1 . 695 . A 33 ILE HD12 . 26053 1 310 . 1 1 33 33 ILE HD13 H 1 0.977 0.007 . 1 . 695 . A 33 ILE HD13 . 26053 1 311 . 1 1 33 33 ILE C C 13 178.317 0.006 . 1 . 247 . A 33 ILE C . 26053 1 312 . 1 1 33 33 ILE CA C 13 65.396 0.033 . 1 . 216 . A 33 ILE CA . 26053 1 313 . 1 1 33 33 ILE CB C 13 38.729 0.028 . 1 . 215 . A 33 ILE CB . 26053 1 314 . 1 1 33 33 ILE CG1 C 13 29.735 0.101 . 1 . 522 . A 33 ILE CG1 . 26053 1 315 . 1 1 33 33 ILE CG2 C 13 17.722 0.022 . 1 . 523 . A 33 ILE CG2 . 26053 1 316 . 1 1 33 33 ILE CD1 C 13 14.795 0.026 . 1 . 524 . A 33 ILE CD1 . 26053 1 317 . 1 1 33 33 ILE N N 15 120.916 0.058 . 1 . 148 . A 33 ILE N . 26053 1 318 . 1 1 34 34 ASP H H 1 8.621 0.006 . 1 . 1 . A 34 ASP H . 26053 1 319 . 1 1 34 34 ASP HA H 1 4.474 0.007 . 1 . 696 . A 34 ASP HA . 26053 1 320 . 1 1 34 34 ASP HB2 H 1 2.769 0.005 . 2 . 697 . A 34 ASP HB2 . 26053 1 321 . 1 1 34 34 ASP HB3 H 1 2.769 0.006 . 2 . 698 . A 34 ASP HB3 . 26053 1 322 . 1 1 34 34 ASP C C 13 177.492 0.003 . 1 . 248 . A 34 ASP C . 26053 1 323 . 1 1 34 34 ASP CA C 13 56.148 0.05 . 1 . 217 . A 34 ASP CA . 26053 1 324 . 1 1 34 34 ASP CB C 13 40.404 0.059 . 1 . 218 . A 34 ASP CB . 26053 1 325 . 1 1 34 34 ASP N N 15 118.107 0.061 . 1 . 2 . A 34 ASP N . 26053 1 326 . 1 1 35 35 ASP H H 1 7.517 0.003 . 1 . 125 . A 35 ASP H . 26053 1 327 . 1 1 35 35 ASP HA H 1 4.999 0.004 . 1 . 701 . A 35 ASP HA . 26053 1 328 . 1 1 35 35 ASP HB2 H 1 3.569 0.005 . 2 . 699 . A 35 ASP HB2 . 26053 1 329 . 1 1 35 35 ASP HB3 H 1 2.619 0.005 . 2 . 700 . A 35 ASP HB3 . 26053 1 330 . 1 1 35 35 ASP C C 13 178.253 0.005 . 1 . 249 . A 35 ASP C . 26053 1 331 . 1 1 35 35 ASP CA C 13 52.148 0.022 . 1 . 219 . A 35 ASP CA . 26053 1 332 . 1 1 35 35 ASP CB C 13 38.344 0.047 . 1 . 220 . A 35 ASP CB . 26053 1 333 . 1 1 35 35 ASP N N 15 122.965 0.08 . 1 . 126 . A 35 ASP N . 26053 1 334 . 1 1 36 36 SER H H 1 7.895 0.003 . 1 . 61 . A 36 SER H . 26053 1 335 . 1 1 36 36 SER HA H 1 3.939 0.012 . 1 . 702 . A 36 SER HA . 26053 1 336 . 1 1 36 36 SER HB2 H 1 3.915 0.01 . 2 . 703 . A 36 SER HB2 . 26053 1 337 . 1 1 36 36 SER HB3 H 1 3.909 0.0 . 2 . 704 . A 36 SER HB3 . 26053 1 338 . 1 1 36 36 SER C C 13 175.351 0.026 . 1 . 250 . A 36 SER C . 26053 1 339 . 1 1 36 36 SER CA C 13 61.027 0.031 . 1 . 222 . A 36 SER CA . 26053 1 340 . 1 1 36 36 SER CB C 13 63.764 0.024 . 1 . 221 . A 36 SER CB . 26053 1 341 . 1 1 36 36 SER N N 15 115.620 0.08 . 1 . 62 . A 36 SER N . 26053 1 342 . 1 1 37 37 ASN H H 1 8.888 0.003 . 1 . 209 . A 37 ASN H . 26053 1 343 . 1 1 37 37 ASN HA H 1 5.045 0.006 . 1 . 705 . A 37 ASN HA . 26053 1 344 . 1 1 37 37 ASN HB2 H 1 3.035 0.004 . 2 . 706 . A 37 ASN HB2 . 26053 1 345 . 1 1 37 37 ASN HB3 H 1 2.787 0.004 . 2 . 707 . A 37 ASN HB3 . 26053 1 346 . 1 1 37 37 ASN HD21 H 1 6.984 0.013 . 1 . 1046 . A 37 ASN HD21 . 26053 1 347 . 1 1 37 37 ASN HD22 H 1 7.612 0.004 . 1 . 1047 . A 37 ASN HD22 . 26053 1 348 . 1 1 37 37 ASN C C 13 174.922 0.009 . 1 . 251 . A 37 ASN C . 26053 1 349 . 1 1 37 37 ASN CA C 13 52.628 0.02 . 1 . 224 . A 37 ASN CA . 26053 1 350 . 1 1 37 37 ASN CB C 13 38.811 0.028 . 1 . 223 . A 37 ASN CB . 26053 1 351 . 1 1 37 37 ASN N N 15 117.533 0.071 . 1 . 210 . A 37 ASN N . 26053 1 352 . 1 1 37 37 ASN ND2 N 15 113.236 0.042 . 1 . 1045 . A 37 ASN ND2 . 26053 1 353 . 1 1 38 38 ASN H H 1 7.368 0.004 . 1 . 45 . A 38 ASN H . 26053 1 354 . 1 1 38 38 ASN HA H 1 4.362 0.008 . 1 . 708 . A 38 ASN HA . 26053 1 355 . 1 1 38 38 ASN HB2 H 1 2.770 0.011 . 2 . 709 . A 38 ASN HB2 . 26053 1 356 . 1 1 38 38 ASN HB3 H 1 2.561 0.013 . 2 . 710 . A 38 ASN HB3 . 26053 1 357 . 1 1 38 38 ASN HD21 H 1 6.822 0.005 . 1 . 1032 . A 38 ASN HD21 . 26053 1 358 . 1 1 38 38 ASN HD22 H 1 8.288 0.01 . 1 . 1066 . A 38 ASN HD22 . 26053 1 359 . 1 1 38 38 ASN C C 13 178.064 0.1 . 1 . 252 . A 38 ASN C . 26053 1 360 . 1 1 38 38 ASN CA C 13 55.100 0.033 . 1 . 226 . A 38 ASN CA . 26053 1 361 . 1 1 38 38 ASN CB C 13 39.142 0.071 . 1 . 225 . A 38 ASN CB . 26053 1 362 . 1 1 38 38 ASN N N 15 120.658 0.082 . 1 . 46 . A 38 ASN N . 26053 1 363 . 1 1 38 38 ASN ND2 N 15 115.063 0.041 . 1 . 1031 . A 38 ASN ND2 . 26053 1 364 . 1 1 39 39 SER HA H 1 4.233 0.013 . 1 . 711 . A 39 SER HA . 26053 1 365 . 1 1 39 39 SER HB2 H 1 3.990 0.006 . 2 . 712 . A 39 SER HB2 . 26053 1 366 . 1 1 39 39 SER HB3 H 1 4.052 0.011 . 2 . 1132 . A 39 SER HB3 . 26053 1 367 . 1 1 39 39 SER C C 13 176.654 0.002 . 1 . 586 . A 39 SER C . 26053 1 368 . 1 1 39 39 SER CA C 13 60.990 0.031 . 1 . 525 . A 39 SER CA . 26053 1 369 . 1 1 39 39 SER CB C 13 62.854 0.09 . 1 . 526 . A 39 SER CB . 26053 1 370 . 1 1 40 40 ALA H H 1 9.496 0.004 . 1 . 83 . A 40 ALA H . 26053 1 371 . 1 1 40 40 ALA HA H 1 3.793 0.002 . 1 . 714 . A 40 ALA HA . 26053 1 372 . 1 1 40 40 ALA HB1 H 1 0.622 0.01 . 1 . 713 . A 40 ALA HB1 . 26053 1 373 . 1 1 40 40 ALA HB2 H 1 0.622 0.01 . 1 . 713 . A 40 ALA HB2 . 26053 1 374 . 1 1 40 40 ALA HB3 H 1 0.622 0.01 . 1 . 713 . A 40 ALA HB3 . 26053 1 375 . 1 1 40 40 ALA C C 13 177.247 0.007 . 1 . 342 . A 40 ALA C . 26053 1 376 . 1 1 40 40 ALA CA C 13 54.431 0.032 . 1 . 340 . A 40 ALA CA . 26053 1 377 . 1 1 40 40 ALA CB C 13 19.446 0.036 . 1 . 341 . A 40 ALA CB . 26053 1 378 . 1 1 40 40 ALA N N 15 127.247 0.059 . 1 . 84 . A 40 ALA N . 26053 1 379 . 1 1 41 41 TRP H H 1 7.350 0.006 . 1 . 197 . A 41 TRP H . 26053 1 380 . 1 1 41 41 TRP HA H 1 4.810 0.008 . 1 . 717 . A 41 TRP HA . 26053 1 381 . 1 1 41 41 TRP HB2 H 1 3.498 0.008 . 2 . 715 . A 41 TRP HB2 . 26053 1 382 . 1 1 41 41 TRP HB3 H 1 3.225 0.017 . 2 . 716 . A 41 TRP HB3 . 26053 1 383 . 1 1 41 41 TRP HD1 H 1 7.352 0.004 . 1 . 1068 . A 41 TRP HD1 . 26053 1 384 . 1 1 41 41 TRP HE1 H 1 9.178 0.01 . 1 . 27 . A 41 TRP HE1 . 26053 1 385 . 1 1 41 41 TRP HE3 H 1 7.253 0.004 . 1 . 1138 . A 41 TRP HE3 . 26053 1 386 . 1 1 41 41 TRP HZ2 H 1 6.813 0.005 . 1 . 1070 . A 41 TRP HZ2 . 26053 1 387 . 1 1 41 41 TRP HZ3 H 1 6.962 0.019 . 1 . 1074 . A 41 TRP HZ3 . 26053 1 388 . 1 1 41 41 TRP HH2 H 1 6.637 0.004 . 1 . 1072 . A 41 TRP HH2 . 26053 1 389 . 1 1 41 41 TRP C C 13 177.625 0.002 . 1 . 343 . A 41 TRP C . 26053 1 390 . 1 1 41 41 TRP CA C 13 56.475 0.073 . 1 . 338 . A 41 TRP CA . 26053 1 391 . 1 1 41 41 TRP CB C 13 31.210 0.016 . 1 . 339 . A 41 TRP CB . 26053 1 392 . 1 1 41 41 TRP CD1 C 13 129.095 0.082 . 1 . 1067 . A 41 TRP CD1 . 26053 1 393 . 1 1 41 41 TRP CE3 C 13 120.528 0.031 . 1 . 1139 . A 41 TRP CE3 . 26053 1 394 . 1 1 41 41 TRP CZ2 C 13 114.237 0.025 . 1 . 1069 . A 41 TRP CZ2 . 26053 1 395 . 1 1 41 41 TRP CZ3 C 13 121.571 0.084 . 1 . 1073 . A 41 TRP CZ3 . 26053 1 396 . 1 1 41 41 TRP CH2 C 13 124.173 0.051 . 1 . 1071 . A 41 TRP CH2 . 26053 1 397 . 1 1 41 41 TRP N N 15 110.195 0.062 . 1 . 198 . A 41 TRP N . 26053 1 398 . 1 1 41 41 TRP NE1 N 15 127.603 0.029 . 1 . 28 . A 41 TRP NE1 . 26053 1 399 . 1 1 42 42 ASP H H 1 7.594 0.004 . 1 . 187 . A 42 ASP H . 26053 1 400 . 1 1 42 42 ASP HA H 1 4.681 0.001 . 1 . 720 . A 42 ASP HA . 26053 1 401 . 1 1 42 42 ASP HB2 H 1 2.694 0.002 . 2 . 718 . A 42 ASP HB2 . 26053 1 402 . 1 1 42 42 ASP HB3 H 1 2.602 0.011 . 2 . 719 . A 42 ASP HB3 . 26053 1 403 . 1 1 42 42 ASP C C 13 177.474 0.002 . 1 . 344 . A 42 ASP C . 26053 1 404 . 1 1 42 42 ASP CA C 13 54.770 0.026 . 1 . 337 . A 42 ASP CA . 26053 1 405 . 1 1 42 42 ASP CB C 13 39.988 0.026 . 1 . 336 . A 42 ASP CB . 26053 1 406 . 1 1 42 42 ASP N N 15 119.378 0.062 . 1 . 188 . A 42 ASP N . 26053 1 407 . 1 1 43 43 PHE H H 1 9.220 0.005 . 1 . 47 . A 43 PHE H . 26053 1 408 . 1 1 43 43 PHE HA H 1 4.247 0.011 . 1 . 723 . A 43 PHE HA . 26053 1 409 . 1 1 43 43 PHE HB2 H 1 3.209 0.006 . 2 . 721 . A 43 PHE HB2 . 26053 1 410 . 1 1 43 43 PHE HB3 H 1 2.977 0.014 . 2 . 722 . A 43 PHE HB3 . 26053 1 411 . 1 1 43 43 PHE HD1 H 1 7.337 0.005 . 1 . 1075 . A 43 PHE HD1 . 26053 1 412 . 1 1 43 43 PHE HD2 H 1 7.337 0.005 . 1 . 1075 . A 43 PHE HD2 . 26053 1 413 . 1 1 43 43 PHE HE1 H 1 6.646 0.004 . 1 . 1077 . A 43 PHE HE1 . 26053 1 414 . 1 1 43 43 PHE HE2 H 1 6.646 0.004 . 1 . 1077 . A 43 PHE HE2 . 26053 1 415 . 1 1 43 43 PHE HZ H 1 6.006 0.01 . 1 . 1079 . A 43 PHE HZ . 26053 1 416 . 1 1 43 43 PHE C C 13 178.141 0.015 . 1 . 329 . A 43 PHE C . 26053 1 417 . 1 1 43 43 PHE CA C 13 59.037 0.031 . 1 . 328 . A 43 PHE CA . 26053 1 418 . 1 1 43 43 PHE CB C 13 40.123 0.075 . 1 . 327 . A 43 PHE CB . 26053 1 419 . 1 1 43 43 PHE CD1 C 13 132.120 0.065 . 1 . 1076 . A 43 PHE CD1 . 26053 1 420 . 1 1 43 43 PHE CD2 C 13 132.120 0.065 . 1 . 1076 . A 43 PHE CD2 . 26053 1 421 . 1 1 43 43 PHE CE1 C 13 130.387 0.061 . 1 . 1078 . A 43 PHE CE1 . 26053 1 422 . 1 1 43 43 PHE CE2 C 13 130.387 0.061 . 1 . 1078 . A 43 PHE CE2 . 26053 1 423 . 1 1 43 43 PHE CZ C 13 128.731 0.046 . 1 . 1080 . A 43 PHE CZ . 26053 1 424 . 1 1 43 43 PHE N N 15 124.914 0.07 . 1 . 48 . A 43 PHE N . 26053 1 425 . 1 1 44 44 ALA H H 1 8.354 0.005 . 1 . 85 . A 44 ALA H . 26053 1 426 . 1 1 44 44 ALA HA H 1 4.553 0.013 . 1 . 725 . A 44 ALA HA . 26053 1 427 . 1 1 44 44 ALA HB1 H 1 1.645 0.005 . 1 . 724 . A 44 ALA HB1 . 26053 1 428 . 1 1 44 44 ALA HB2 H 1 1.645 0.005 . 1 . 724 . A 44 ALA HB2 . 26053 1 429 . 1 1 44 44 ALA HB3 H 1 1.645 0.005 . 1 . 724 . A 44 ALA HB3 . 26053 1 430 . 1 1 44 44 ALA C C 13 177.917 0.016 . 1 . 330 . A 44 ALA C . 26053 1 431 . 1 1 44 44 ALA CA C 13 51.597 0.012 . 1 . 326 . A 44 ALA CA . 26053 1 432 . 1 1 44 44 ALA CB C 13 19.987 0.024 . 1 . 325 . A 44 ALA CB . 26053 1 433 . 1 1 44 44 ALA N N 15 125.098 0.085 . 1 . 86 . A 44 ALA N . 26053 1 434 . 1 1 45 45 ASP H H 1 8.679 0.004 . 1 . 21 . A 45 ASP H . 26053 1 435 . 1 1 45 45 ASP HA H 1 4.427 0.003 . 1 . 726 . A 45 ASP HA . 26053 1 436 . 1 1 45 45 ASP HB2 H 1 2.625 0.004 . 1 . 727 . A 45 ASP HB2 . 26053 1 437 . 1 1 45 45 ASP HB3 H 1 2.625 0.004 . 1 . 728 . A 45 ASP HB3 . 26053 1 438 . 1 1 45 45 ASP C C 13 177.958 0.023 . 1 . 331 . A 45 ASP C . 26053 1 439 . 1 1 45 45 ASP CA C 13 56.130 0.046 . 1 . 323 . A 45 ASP CA . 26053 1 440 . 1 1 45 45 ASP CB C 13 40.655 0.03 . 1 . 324 . A 45 ASP CB . 26053 1 441 . 1 1 45 45 ASP N N 15 122.330 0.1 . 1 . 22 . A 45 ASP N . 26053 1 442 . 1 1 46 46 GLY H H 1 9.014 0.004 . 1 . 39 . A 46 GLY H . 26053 1 443 . 1 1 46 46 GLY HA2 H 1 4.148 0.009 . 2 . 729 . A 46 GLY HA2 . 26053 1 444 . 1 1 46 46 GLY HA3 H 1 3.777 0.004 . 2 . 730 . A 46 GLY HA3 . 26053 1 445 . 1 1 46 46 GLY C C 13 175.493 0.009 . 1 . 332 . A 46 GLY C . 26053 1 446 . 1 1 46 46 GLY CA C 13 46.575 0.041 . 1 . 527 . A 46 GLY CA . 26053 1 447 . 1 1 46 46 GLY N N 15 112.955 0.08 . 1 . 40 . A 46 GLY N . 26053 1 448 . 1 1 47 47 VAL H H 1 7.528 0.003 . 1 . 135 . A 47 VAL H . 26053 1 449 . 1 1 47 47 VAL HA H 1 3.663 0.007 . 1 . 735 . A 47 VAL HA . 26053 1 450 . 1 1 47 47 VAL HB H 1 2.220 0.01 . 1 . 734 . A 47 VAL HB . 26053 1 451 . 1 1 47 47 VAL HG11 H 1 0.833 0.007 . 2 . 732 . A 47 VAL HG11 . 26053 1 452 . 1 1 47 47 VAL HG12 H 1 0.833 0.007 . 2 . 732 . A 47 VAL HG12 . 26053 1 453 . 1 1 47 47 VAL HG13 H 1 0.833 0.007 . 2 . 732 . A 47 VAL HG13 . 26053 1 454 . 1 1 47 47 VAL HG21 H 1 1.002 0.007 . 2 . 733 . A 47 VAL HG21 . 26053 1 455 . 1 1 47 47 VAL HG22 H 1 1.002 0.007 . 2 . 733 . A 47 VAL HG22 . 26053 1 456 . 1 1 47 47 VAL HG23 H 1 1.002 0.007 . 2 . 733 . A 47 VAL HG23 . 26053 1 457 . 1 1 47 47 VAL C C 13 177.542 0.014 . 1 . 333 . A 47 VAL C . 26053 1 458 . 1 1 47 47 VAL CA C 13 66.909 0.026 . 1 . 321 . A 47 VAL CA . 26053 1 459 . 1 1 47 47 VAL CB C 13 32.170 0.016 . 1 . 322 . A 47 VAL CB . 26053 1 460 . 1 1 47 47 VAL CG1 C 13 24.032 0.023 . 2 . 528 . A 47 VAL CG1 . 26053 1 461 . 1 1 47 47 VAL CG2 C 13 21.290 0.018 . 2 . 731 . A 47 VAL CG2 . 26053 1 462 . 1 1 47 47 VAL N N 15 121.071 0.057 . 1 . 136 . A 47 VAL N . 26053 1 463 . 1 1 48 48 LEU H H 1 8.676 0.004 . 1 . 185 . A 48 LEU H . 26053 1 464 . 1 1 48 48 LEU HA H 1 3.667 0.007 . 1 . 736 . A 48 LEU HA . 26053 1 465 . 1 1 48 48 LEU HB2 H 1 1.196 0.01 . 2 . 737 . A 48 LEU HB2 . 26053 1 466 . 1 1 48 48 LEU HB3 H 1 0.271 0.009 . 2 . 738 . A 48 LEU HB3 . 26053 1 467 . 1 1 48 48 LEU HG H 1 1.136 0.009 . 1 . 740 . A 48 LEU HG . 26053 1 468 . 1 1 48 48 LEU HD11 H 1 0.314 0.009 . 2 . 739 . A 48 LEU HD11 . 26053 1 469 . 1 1 48 48 LEU HD12 H 1 0.314 0.009 . 2 . 739 . A 48 LEU HD12 . 26053 1 470 . 1 1 48 48 LEU HD13 H 1 0.314 0.009 . 2 . 739 . A 48 LEU HD13 . 26053 1 471 . 1 1 48 48 LEU HD21 H 1 0.314 0.008 . 2 . 741 . A 48 LEU HD21 . 26053 1 472 . 1 1 48 48 LEU HD22 H 1 0.314 0.008 . 2 . 741 . A 48 LEU HD22 . 26053 1 473 . 1 1 48 48 LEU HD23 H 1 0.314 0.008 . 2 . 741 . A 48 LEU HD23 . 26053 1 474 . 1 1 48 48 LEU C C 13 178.135 0.028 . 1 . 334 . A 48 LEU C . 26053 1 475 . 1 1 48 48 LEU CA C 13 57.973 0.04 . 1 . 320 . A 48 LEU CA . 26053 1 476 . 1 1 48 48 LEU CB C 13 39.818 0.044 . 1 . 319 . A 48 LEU CB . 26053 1 477 . 1 1 48 48 LEU CG C 13 25.994 0.134 . 1 . 530 . A 48 LEU CG . 26053 1 478 . 1 1 48 48 LEU CD1 C 13 21.348 0.073 . 2 . 529 . A 48 LEU CD1 . 26053 1 479 . 1 1 48 48 LEU CD2 C 13 25.634 0.046 . 2 . 531 . A 48 LEU CD2 . 26053 1 480 . 1 1 48 48 LEU N N 15 121.366 0.066 . 1 . 186 . A 48 LEU N . 26053 1 481 . 1 1 49 49 GLU H H 1 9.522 0.004 . 1 . 9 . A 49 GLU H . 26053 1 482 . 1 1 49 49 GLU HA H 1 3.712 0.011 . 1 . 742 . A 49 GLU HA . 26053 1 483 . 1 1 49 49 GLU HB2 H 1 1.946 0.01 . 2 . 745 . A 49 GLU HB2 . 26053 1 484 . 1 1 49 49 GLU HB3 H 1 1.840 0.009 . 2 . 746 . A 49 GLU HB3 . 26053 1 485 . 1 1 49 49 GLU HG2 H 1 2.201 0.012 . 2 . 743 . A 49 GLU HG2 . 26053 1 486 . 1 1 49 49 GLU HG3 H 1 2.447 0.015 . 2 . 744 . A 49 GLU HG3 . 26053 1 487 . 1 1 49 49 GLU C C 13 179.699 0.009 . 1 . 335 . A 49 GLU C . 26053 1 488 . 1 1 49 49 GLU CA C 13 60.416 0.051 . 1 . 346 . A 49 GLU CA . 26053 1 489 . 1 1 49 49 GLU CB C 13 28.256 0.02 . 1 . 345 . A 49 GLU CB . 26053 1 490 . 1 1 49 49 GLU CG C 13 36.799 0.038 . 1 . 532 . A 49 GLU CG . 26053 1 491 . 1 1 49 49 GLU N N 15 117.565 0.06 . 1 . 10 . A 49 GLU N . 26053 1 492 . 1 1 50 50 GLN H H 1 7.704 0.003 . 1 . 53 . A 50 GLN H . 26053 1 493 . 1 1 50 50 GLN HA H 1 4.175 0.013 . 1 . 751 . A 50 GLN HA . 26053 1 494 . 1 1 50 50 GLN HB2 H 1 2.425 0.007 . 2 . 747 . A 50 GLN HB2 . 26053 1 495 . 1 1 50 50 GLN HB3 H 1 2.232 0.006 . 2 . 748 . A 50 GLN HB3 . 26053 1 496 . 1 1 50 50 GLN HG2 H 1 2.232 0.005 . 2 . 749 . A 50 GLN HG2 . 26053 1 497 . 1 1 50 50 GLN HG3 H 1 2.426 0.007 . 2 . 750 . A 50 GLN HG3 . 26053 1 498 . 1 1 50 50 GLN HE21 H 1 7.396 0.005 . 1 . 1058 . A 50 GLN HE21 . 26053 1 499 . 1 1 50 50 GLN HE22 H 1 6.846 0.006 . 1 . 1059 . A 50 GLN HE22 . 26053 1 500 . 1 1 50 50 GLN C C 13 178.696 0.005 . 1 . 357 . A 50 GLN C . 26053 1 501 . 1 1 50 50 GLN CA C 13 58.736 0.026 . 1 . 347 . A 50 GLN CA . 26053 1 502 . 1 1 50 50 GLN CB C 13 28.527 0.039 . 1 . 348 . A 50 GLN CB . 26053 1 503 . 1 1 50 50 GLN CG C 13 33.884 0.039 . 1 . 533 . A 50 GLN CG . 26053 1 504 . 1 1 50 50 GLN N N 15 118.639 0.066 . 1 . 54 . A 50 GLN N . 26053 1 505 . 1 1 50 50 GLN NE2 N 15 111.806 0.038 . 1 . 1057 . A 50 GLN NE2 . 26053 1 506 . 1 1 51 51 ILE H H 1 8.102 0.005 . 1 . 183 . A 51 ILE H . 26053 1 507 . 1 1 51 51 ILE HA H 1 3.663 0.011 . 1 . 752 . A 51 ILE HA . 26053 1 508 . 1 1 51 51 ILE HB H 1 1.959 0.01 . 1 . 753 . A 51 ILE HB . 26053 1 509 . 1 1 51 51 ILE HG12 H 1 1.216 0.008 . 2 . 754 . A 51 ILE HG12 . 26053 1 510 . 1 1 51 51 ILE HG13 H 1 1.647 0.011 . 2 . 755 . A 51 ILE HG13 . 26053 1 511 . 1 1 51 51 ILE HG21 H 1 0.675 0.01 . 1 . 756 . A 51 ILE HG21 . 26053 1 512 . 1 1 51 51 ILE HG22 H 1 0.675 0.01 . 1 . 756 . A 51 ILE HG22 . 26053 1 513 . 1 1 51 51 ILE HG23 H 1 0.675 0.01 . 1 . 756 . A 51 ILE HG23 . 26053 1 514 . 1 1 51 51 ILE HD11 H 1 0.679 0.008 . 1 . 757 . A 51 ILE HD11 . 26053 1 515 . 1 1 51 51 ILE HD12 H 1 0.679 0.008 . 1 . 757 . A 51 ILE HD12 . 26053 1 516 . 1 1 51 51 ILE HD13 H 1 0.679 0.008 . 1 . 757 . A 51 ILE HD13 . 26053 1 517 . 1 1 51 51 ILE C C 13 179.911 0.014 . 1 . 358 . A 51 ILE C . 26053 1 518 . 1 1 51 51 ILE CA C 13 64.113 0.041 . 1 . 349 . A 51 ILE CA . 26053 1 519 . 1 1 51 51 ILE CB C 13 37.219 0.055 . 1 . 350 . A 51 ILE CB . 26053 1 520 . 1 1 51 51 ILE CG1 C 13 28.942 0.048 . 1 . 534 . A 51 ILE CG1 . 26053 1 521 . 1 1 51 51 ILE CG2 C 13 17.327 0.025 . 1 . 535 . A 51 ILE CG2 . 26053 1 522 . 1 1 51 51 ILE CD1 C 13 14.077 0.104 . 1 . 536 . A 51 ILE CD1 . 26053 1 523 . 1 1 51 51 ILE N N 15 121.680 0.093 . 1 . 184 . A 51 ILE N . 26053 1 524 . 1 1 52 52 LEU H H 1 8.819 0.003 . 1 . 201 . A 52 LEU H . 26053 1 525 . 1 1 52 52 LEU HA H 1 3.762 0.011 . 1 . 758 . A 52 LEU HA . 26053 1 526 . 1 1 52 52 LEU HB2 H 1 1.731 0.01 . 2 . 759 . A 52 LEU HB2 . 26053 1 527 . 1 1 52 52 LEU HB3 H 1 1.017 0.005 . 2 . 760 . A 52 LEU HB3 . 26053 1 528 . 1 1 52 52 LEU HG H 1 1.491 0.01 . 1 . 763 . A 52 LEU HG . 26053 1 529 . 1 1 52 52 LEU HD11 H 1 0.557 0.014 . 2 . 761 . A 52 LEU HD11 . 26053 1 530 . 1 1 52 52 LEU HD12 H 1 0.557 0.014 . 2 . 761 . A 52 LEU HD12 . 26053 1 531 . 1 1 52 52 LEU HD13 H 1 0.557 0.014 . 2 . 761 . A 52 LEU HD13 . 26053 1 532 . 1 1 52 52 LEU HD21 H 1 -0.115 0.006 . 2 . 762 . A 52 LEU HD21 . 26053 1 533 . 1 1 52 52 LEU HD22 H 1 -0.115 0.006 . 2 . 762 . A 52 LEU HD22 . 26053 1 534 . 1 1 52 52 LEU HD23 H 1 -0.115 0.006 . 2 . 762 . A 52 LEU HD23 . 26053 1 535 . 1 1 52 52 LEU C C 13 178.767 0.004 . 1 . 359 . A 52 LEU C . 26053 1 536 . 1 1 52 52 LEU CA C 13 58.115 0.03 . 1 . 352 . A 52 LEU CA . 26053 1 537 . 1 1 52 52 LEU CB C 13 40.598 0.029 . 1 . 351 . A 52 LEU CB . 26053 1 538 . 1 1 52 52 LEU CG C 13 26.151 0.086 . 1 . 538 . A 52 LEU CG . 26053 1 539 . 1 1 52 52 LEU CD1 C 13 25.930 0.047 . 2 . 539 . A 52 LEU CD1 . 26053 1 540 . 1 1 52 52 LEU CD2 C 13 20.613 0.037 . 2 . 537 . A 52 LEU CD2 . 26053 1 541 . 1 1 52 52 LEU N N 15 123.207 0.06 . 1 . 202 . A 52 LEU N . 26053 1 542 . 1 1 53 53 ALA H H 1 8.272 0.006 . 1 . 173 . A 53 ALA H . 26053 1 543 . 1 1 53 53 ALA HA H 1 4.135 0.008 . 1 . 765 . A 53 ALA HA . 26053 1 544 . 1 1 53 53 ALA HB1 H 1 1.519 0.006 . 1 . 764 . A 53 ALA HB1 . 26053 1 545 . 1 1 53 53 ALA HB2 H 1 1.519 0.006 . 1 . 764 . A 53 ALA HB2 . 26053 1 546 . 1 1 53 53 ALA HB3 H 1 1.519 0.006 . 1 . 764 . A 53 ALA HB3 . 26053 1 547 . 1 1 53 53 ALA C C 13 181.723 0.006 . 1 . 360 . A 53 ALA C . 26053 1 548 . 1 1 53 53 ALA CA C 13 55.861 0.033 . 1 . 354 . A 53 ALA CA . 26053 1 549 . 1 1 53 53 ALA CB C 13 17.885 0.034 . 1 . 353 . A 53 ALA CB . 26053 1 550 . 1 1 53 53 ALA N N 15 122.190 0.056 . 1 . 174 . A 53 ALA N . 26053 1 551 . 1 1 54 54 THR H H 1 8.540 0.007 . 1 . 57 . A 54 THR H . 26053 1 552 . 1 1 54 54 THR HA H 1 3.910 0.007 . 1 . 766 . A 54 THR HA . 26053 1 553 . 1 1 54 54 THR HB H 1 4.192 0.008 . 1 . 767 . A 54 THR HB . 26053 1 554 . 1 1 54 54 THR HG21 H 1 1.164 0.008 . 1 . 768 . A 54 THR HG21 . 26053 1 555 . 1 1 54 54 THR HG22 H 1 1.164 0.008 . 1 . 768 . A 54 THR HG22 . 26053 1 556 . 1 1 54 54 THR HG23 H 1 1.164 0.008 . 1 . 768 . A 54 THR HG23 . 26053 1 557 . 1 1 54 54 THR C C 13 176.135 0.012 . 1 . 361 . A 54 THR C . 26053 1 558 . 1 1 54 54 THR CA C 13 66.592 0.024 . 1 . 355 . A 54 THR CA . 26053 1 559 . 1 1 54 54 THR CB C 13 68.785 0.019 . 1 . 356 . A 54 THR CB . 26053 1 560 . 1 1 54 54 THR CG2 C 13 21.248 0.023 . 1 . 540 . A 54 THR CG2 . 26053 1 561 . 1 1 54 54 THR N N 15 117.502 0.074 . 1 . 58 . A 54 THR N . 26053 1 562 . 1 1 55 55 SER H H 1 8.179 0.003 . 1 . 193 . A 55 SER H . 26053 1 563 . 1 1 55 55 SER HA H 1 4.039 0.011 . 1 . 1118 . A 55 SER HA . 26053 1 564 . 1 1 55 55 SER HB2 H 1 3.735 0.012 . 2 . 1135 . A 55 SER HB2 . 26053 1 565 . 1 1 55 55 SER HB3 H 1 3.728 0.014 . 2 . 1137 . A 55 SER HB3 . 26053 1 566 . 1 1 55 55 SER C C 13 176.165 0.021 . 1 . 362 . A 55 SER C . 26053 1 567 . 1 1 55 55 SER CA C 13 63.439 0.17 . 1 . 363 . A 55 SER CA . 26053 1 568 . 1 1 55 55 SER N N 15 118.031 0.062 . 1 . 194 . A 55 SER N . 26053 1 569 . 1 1 56 56 ARG H H 1 8.498 0.008 . 1 . 15 . A 56 ARG H . 26053 1 570 . 1 1 56 56 ARG HA H 1 4.681 0.004 . 1 . 770 . A 56 ARG HA . 26053 1 571 . 1 1 56 56 ARG HB2 H 1 2.002 0.007 . 2 . 773 . A 56 ARG HB2 . 26053 1 572 . 1 1 56 56 ARG HB3 H 1 1.793 0.015 . 2 . 774 . A 56 ARG HB3 . 26053 1 573 . 1 1 56 56 ARG HG2 H 1 1.765 0.013 . 2 . 775 . A 56 ARG HG2 . 26053 1 574 . 1 1 56 56 ARG HG3 H 1 1.514 0.012 . 2 . 776 . A 56 ARG HG3 . 26053 1 575 . 1 1 56 56 ARG HD2 H 1 3.019 0.005 . 2 . 771 . A 56 ARG HD2 . 26053 1 576 . 1 1 56 56 ARG HD3 H 1 3.252 0.008 . 2 . 772 . A 56 ARG HD3 . 26053 1 577 . 1 1 56 56 ARG C C 13 180.994 0.012 . 1 . 580 . A 56 ARG C . 26053 1 578 . 1 1 56 56 ARG CA C 13 58.688 0.024 . 1 . 441 . A 56 ARG CA . 26053 1 579 . 1 1 56 56 ARG CB C 13 30.480 0.036 . 1 . 440 . A 56 ARG CB . 26053 1 580 . 1 1 56 56 ARG CG C 13 28.926 0.076 . 1 . 582 . A 56 ARG CG . 26053 1 581 . 1 1 56 56 ARG CD C 13 43.749 0.084 . 1 . 581 . A 56 ARG CD . 26053 1 582 . 1 1 56 56 ARG N N 15 122.329 0.072 . 1 . 16 . A 56 ARG N . 26053 1 583 . 1 1 57 57 SER H H 1 8.375 0.004 . 1 . 131 . A 57 SER H . 26053 1 584 . 1 1 57 57 SER HA H 1 4.198 0.012 . 1 . 777 . A 57 SER HA . 26053 1 585 . 1 1 57 57 SER HB2 H 1 4.042 0.014 . 2 . 769 . A 57 SER HB2 . 26053 1 586 . 1 1 57 57 SER HB3 H 1 4.017 0.014 . 2 . 778 . A 57 SER HB3 . 26053 1 587 . 1 1 57 57 SER C C 13 176.540 0.01 . 1 . 578 . A 57 SER C . 26053 1 588 . 1 1 57 57 SER CA C 13 61.734 0.174 . 1 . 541 . A 57 SER CA . 26053 1 589 . 1 1 57 57 SER CB C 13 62.838 0.169 . 1 . 542 . A 57 SER CB . 26053 1 590 . 1 1 57 57 SER N N 15 118.120 0.076 . 1 . 132 . A 57 SER N . 26053 1 591 . 1 1 58 58 ARG H H 1 7.684 0.003 . 1 . 63 . A 58 ARG H . 26053 1 592 . 1 1 58 58 ARG HA H 1 4.148 0.006 . 1 . 779 . A 58 ARG HA . 26053 1 593 . 1 1 58 58 ARG HB2 H 1 1.409 0.003 . 2 . 782 . A 58 ARG HB2 . 26053 1 594 . 1 1 58 58 ARG HB3 H 1 0.801 0.021 . 2 . 783 . A 58 ARG HB3 . 26053 1 595 . 1 1 58 58 ARG HG2 H 1 1.745 0.01 . 2 . 784 . A 58 ARG HG2 . 26053 1 596 . 1 1 58 58 ARG HG3 H 1 1.543 0.016 . 2 . 785 . A 58 ARG HG3 . 26053 1 597 . 1 1 58 58 ARG HD2 H 1 3.089 0.004 . 2 . 780 . A 58 ARG HD2 . 26053 1 598 . 1 1 58 58 ARG HD3 H 1 2.725 0.003 . 2 . 781 . A 58 ARG HD3 . 26053 1 599 . 1 1 58 58 ARG C C 13 176.236 0.017 . 1 . 298 . A 58 ARG C . 26053 1 600 . 1 1 58 58 ARG CA C 13 56.374 0.027 . 1 . 294 . A 58 ARG CA . 26053 1 601 . 1 1 58 58 ARG CB C 13 30.338 0.031 . 1 . 293 . A 58 ARG CB . 26053 1 602 . 1 1 58 58 ARG CG C 13 27.357 0.081 . 1 . 544 . A 58 ARG CG . 26053 1 603 . 1 1 58 58 ARG CD C 13 43.677 0.053 . 1 . 543 . A 58 ARG CD . 26053 1 604 . 1 1 58 58 ARG N N 15 116.857 0.074 . 1 . 64 . A 58 ARG N . 26053 1 605 . 1 1 59 59 GLY H H 1 7.613 0.002 . 1 . 175 . A 59 GLY H . 26053 1 606 . 1 1 59 59 GLY HA2 H 1 4.120 0.006 . 2 . 786 . A 59 GLY HA2 . 26053 1 607 . 1 1 59 59 GLY HA3 H 1 3.818 0.003 . 2 . 787 . A 59 GLY HA3 . 26053 1 608 . 1 1 59 59 GLY C C 13 174.876 0.017 . 1 . 286 . A 59 GLY C . 26053 1 609 . 1 1 59 59 GLY CA C 13 45.333 0.038 . 1 . 285 . A 59 GLY CA . 26053 1 610 . 1 1 59 59 GLY N N 15 106.007 0.067 . 1 . 176 . A 59 GLY N . 26053 1 611 . 1 1 60 60 TYR H H 1 8.020 0.004 . 1 . 55 . A 60 TYR H . 26053 1 612 . 1 1 60 60 TYR HA H 1 4.611 0.006 . 1 . 790 . A 60 TYR HA . 26053 1 613 . 1 1 60 60 TYR HB2 H 1 3.251 0.008 . 2 . 788 . A 60 TYR HB2 . 26053 1 614 . 1 1 60 60 TYR HB3 H 1 2.945 0.008 . 2 . 789 . A 60 TYR HB3 . 26053 1 615 . 1 1 60 60 TYR HD1 H 1 7.030 0.006 . 1 . 1084 . A 60 TYR HD1 . 26053 1 616 . 1 1 60 60 TYR HD2 H 1 7.030 0.006 . 1 . 1084 . A 60 TYR HD2 . 26053 1 617 . 1 1 60 60 TYR HE1 H 1 6.890 0.006 . 1 . 1085 . A 60 TYR HE1 . 26053 1 618 . 1 1 60 60 TYR HE2 H 1 6.890 0.006 . 1 . 1085 . A 60 TYR HE2 . 26053 1 619 . 1 1 60 60 TYR C C 13 176.377 0.012 . 1 . 287 . A 60 TYR C . 26053 1 620 . 1 1 60 60 TYR CA C 13 57.265 0.041 . 1 . 284 . A 60 TYR CA . 26053 1 621 . 1 1 60 60 TYR CB C 13 38.769 0.056 . 1 . 283 . A 60 TYR CB . 26053 1 622 . 1 1 60 60 TYR CD1 C 13 131.467 0.022 . 1 . 1083 . A 60 TYR CD1 . 26053 1 623 . 1 1 60 60 TYR CD2 C 13 131.467 0.022 . 1 . 1083 . A 60 TYR CD2 . 26053 1 624 . 1 1 60 60 TYR CE1 C 13 118.683 0.008 . 1 . 1086 . A 60 TYR CE1 . 26053 1 625 . 1 1 60 60 TYR CE2 C 13 118.683 0.008 . 1 . 1086 . A 60 TYR CE2 . 26053 1 626 . 1 1 60 60 TYR N N 15 118.391 0.066 . 1 . 56 . A 60 TYR N . 26053 1 627 . 1 1 61 61 ILE H H 1 6.918 0.003 . 1 . 81 . A 61 ILE H . 26053 1 628 . 1 1 61 61 ILE HA H 1 4.828 0.002 . 1 . 791 . A 61 ILE HA . 26053 1 629 . 1 1 61 61 ILE HB H 1 1.767 0.003 . 1 . 792 . A 61 ILE HB . 26053 1 630 . 1 1 61 61 ILE HG12 H 1 1.095 0.006 . 2 . 793 . A 61 ILE HG12 . 26053 1 631 . 1 1 61 61 ILE HG13 H 1 0.622 0.012 . 2 . 794 . A 61 ILE HG13 . 26053 1 632 . 1 1 61 61 ILE HG21 H 1 0.847 0.005 . 1 . 795 . A 61 ILE HG21 . 26053 1 633 . 1 1 61 61 ILE HG22 H 1 0.847 0.005 . 1 . 795 . A 61 ILE HG22 . 26053 1 634 . 1 1 61 61 ILE HG23 H 1 0.847 0.005 . 1 . 795 . A 61 ILE HG23 . 26053 1 635 . 1 1 61 61 ILE HD11 H 1 0.745 0.012 . 1 . 796 . A 61 ILE HD11 . 26053 1 636 . 1 1 61 61 ILE HD12 H 1 0.745 0.012 . 1 . 796 . A 61 ILE HD12 . 26053 1 637 . 1 1 61 61 ILE HD13 H 1 0.745 0.012 . 1 . 796 . A 61 ILE HD13 . 26053 1 638 . 1 1 61 61 ILE C C 13 174.471 0.006 . 1 . 288 . A 61 ILE C . 26053 1 639 . 1 1 61 61 ILE CA C 13 57.891 0.068 . 1 . 282 . A 61 ILE CA . 26053 1 640 . 1 1 61 61 ILE CB C 13 42.952 0.039 . 1 . 281 . A 61 ILE CB . 26053 1 641 . 1 1 61 61 ILE CG1 C 13 26.006 0.09 . 1 . 547 . A 61 ILE CG1 . 26053 1 642 . 1 1 61 61 ILE CG2 C 13 18.649 0.029 . 1 . 545 . A 61 ILE CG2 . 26053 1 643 . 1 1 61 61 ILE CD1 C 13 14.097 0.069 . 1 . 546 . A 61 ILE CD1 . 26053 1 644 . 1 1 61 61 ILE N N 15 106.695 0.063 . 1 . 82 . A 61 ILE N . 26053 1 645 . 1 1 62 62 THR H H 1 8.871 0.009 . 1 . 31 . A 62 THR H . 26053 1 646 . 1 1 62 62 THR HA H 1 4.482 0.005 . 1 . 797 . A 62 THR HA . 26053 1 647 . 1 1 62 62 THR HB H 1 3.967 0.007 . 1 . 798 . A 62 THR HB . 26053 1 648 . 1 1 62 62 THR HG21 H 1 1.206 0.005 . 1 . 799 . A 62 THR HG21 . 26053 1 649 . 1 1 62 62 THR HG22 H 1 1.206 0.005 . 1 . 799 . A 62 THR HG22 . 26053 1 650 . 1 1 62 62 THR HG23 H 1 1.206 0.005 . 1 . 799 . A 62 THR HG23 . 26053 1 651 . 1 1 62 62 THR C C 13 173.847 0.018 . 1 . 289 . A 62 THR C . 26053 1 652 . 1 1 62 62 THR CA C 13 60.797 0.044 . 1 . 279 . A 62 THR CA . 26053 1 653 . 1 1 62 62 THR CB C 13 70.873 0.033 . 1 . 280 . A 62 THR CB . 26053 1 654 . 1 1 62 62 THR CG2 C 13 20.961 0.024 . 1 . 548 . A 62 THR CG2 . 26053 1 655 . 1 1 62 62 THR N N 15 117.330 0.088 . 1 . 32 . A 62 THR N . 26053 1 656 . 1 1 63 63 GLY H H 1 8.949 0.003 . 1 . 29 . A 63 GLY H . 26053 1 657 . 1 1 63 63 GLY HA2 H 1 3.826 0.013 . 2 . 800 . A 63 GLY HA2 . 26053 1 658 . 1 1 63 63 GLY HA3 H 1 3.775 0.021 . 2 . 801 . A 63 GLY HA3 . 26053 1 659 . 1 1 63 63 GLY C C 13 174.230 0.012 . 1 . 290 . A 63 GLY C . 26053 1 660 . 1 1 63 63 GLY CA C 13 47.518 0.033 . 1 . 278 . A 63 GLY CA . 26053 1 661 . 1 1 63 63 GLY N N 15 112.746 0.07 . 1 . 30 . A 63 GLY N . 26053 1 662 . 1 1 64 64 ASP H H 1 8.827 0.005 . 1 . 189 . A 64 ASP H . 26053 1 663 . 1 1 64 64 ASP HA H 1 5.190 0.006 . 1 . 804 . A 64 ASP HA . 26053 1 664 . 1 1 64 64 ASP HB2 H 1 2.449 0.011 . 2 . 802 . A 64 ASP HB2 . 26053 1 665 . 1 1 64 64 ASP HB3 H 1 2.890 0.015 . 2 . 803 . A 64 ASP HB3 . 26053 1 666 . 1 1 64 64 ASP C C 13 175.642 0.013 . 1 . 291 . A 64 ASP C . 26053 1 667 . 1 1 64 64 ASP CA C 13 53.150 0.038 . 1 . 277 . A 64 ASP CA . 26053 1 668 . 1 1 64 64 ASP CB C 13 40.116 0.127 . 1 . 276 . A 64 ASP CB . 26053 1 669 . 1 1 64 64 ASP N N 15 127.074 0.063 . 1 . 190 . A 64 ASP N . 26053 1 670 . 1 1 65 65 GLN H H 1 8.319 0.006 . 1 . 7 . A 65 GLN H . 26053 1 671 . 1 1 65 65 GLN HA H 1 4.231 0.004 . 1 . 809 . A 65 GLN HA . 26053 1 672 . 1 1 65 65 GLN HB2 H 1 1.937 0.007 . 2 . 805 . A 65 GLN HB2 . 26053 1 673 . 1 1 65 65 GLN HB3 H 1 2.680 0.009 . 2 . 806 . A 65 GLN HB3 . 26053 1 674 . 1 1 65 65 GLN HG2 H 1 2.310 0.01 . 2 . 807 . A 65 GLN HG2 . 26053 1 675 . 1 1 65 65 GLN HG3 H 1 2.400 0.007 . 2 . 808 . A 65 GLN HG3 . 26053 1 676 . 1 1 65 65 GLN HE21 H 1 6.820 0.002 . 1 . 1043 . A 65 GLN HE21 . 26053 1 677 . 1 1 65 65 GLN HE22 H 1 7.574 0.001 . 1 . 1044 . A 65 GLN HE22 . 26053 1 678 . 1 1 65 65 GLN C C 13 173.083 0.01 . 1 . 292 . A 65 GLN C . 26053 1 679 . 1 1 65 65 GLN CA C 13 54.105 0.041 . 1 . 299 . A 65 GLN CA . 26053 1 680 . 1 1 65 65 GLN CB C 13 26.610 0.061 . 1 . 300 . A 65 GLN CB . 26053 1 681 . 1 1 65 65 GLN CG C 13 33.225 0.07 . 1 . 549 . A 65 GLN CG . 26053 1 682 . 1 1 65 65 GLN N N 15 119.037 0.078 . 1 . 8 . A 65 GLN N . 26053 1 683 . 1 1 65 65 GLN NE2 N 15 113.340 0.034 . 1 . 1042 . A 65 GLN NE2 . 26053 1 684 . 1 1 66 66 TYR H H 1 7.147 0.003 . 1 . 195 . A 66 TYR H . 26053 1 685 . 1 1 66 66 TYR HA H 1 4.759 0.004 . 1 . 812 . A 66 TYR HA . 26053 1 686 . 1 1 66 66 TYR HB2 H 1 2.886 0.006 . 2 . 810 . A 66 TYR HB2 . 26053 1 687 . 1 1 66 66 TYR HB3 H 1 2.885 0.006 . 2 . 811 . A 66 TYR HB3 . 26053 1 688 . 1 1 66 66 TYR HD1 H 1 6.565 0.006 . 1 . 1088 . A 66 TYR HD1 . 26053 1 689 . 1 1 66 66 TYR HD2 H 1 6.565 0.006 . 1 . 1088 . A 66 TYR HD2 . 26053 1 690 . 1 1 66 66 TYR HE1 H 1 6.562 0.004 . 1 . 1090 . A 66 TYR HE1 . 26053 1 691 . 1 1 66 66 TYR HE2 H 1 6.562 0.004 . 1 . 1090 . A 66 TYR HE2 . 26053 1 692 . 1 1 66 66 TYR C C 13 171.665 0.004 . 1 . 311 . A 66 TYR C . 26053 1 693 . 1 1 66 66 TYR CA C 13 55.761 0.046 . 1 . 302 . A 66 TYR CA . 26053 1 694 . 1 1 66 66 TYR CB C 13 40.442 0.042 . 1 . 301 . A 66 TYR CB . 26053 1 695 . 1 1 66 66 TYR CD1 C 13 133.404 0.04 . 1 . 1087 . A 66 TYR CD1 . 26053 1 696 . 1 1 66 66 TYR CD2 C 13 133.404 0.04 . 1 . 1087 . A 66 TYR CD2 . 26053 1 697 . 1 1 66 66 TYR CE1 C 13 117.187 0.027 . 1 . 1089 . A 66 TYR CE1 . 26053 1 698 . 1 1 66 66 TYR CE2 C 13 117.187 0.027 . 1 . 1089 . A 66 TYR CE2 . 26053 1 699 . 1 1 66 66 TYR N N 15 117.910 0.073 . 1 . 196 . A 66 TYR N . 26053 1 700 . 1 1 67 67 ILE H H 1 8.732 0.004 . 1 . 167 . A 67 ILE H . 26053 1 701 . 1 1 67 67 ILE HA H 1 4.526 0.004 . 1 . 813 . A 67 ILE HA . 26053 1 702 . 1 1 67 67 ILE HB H 1 1.637 0.006 . 1 . 814 . A 67 ILE HB . 26053 1 703 . 1 1 67 67 ILE HG12 H 1 1.247 0.01 . 2 . 815 . A 67 ILE HG12 . 26053 1 704 . 1 1 67 67 ILE HG13 H 1 0.930 0.019 . 2 . 816 . A 67 ILE HG13 . 26053 1 705 . 1 1 67 67 ILE HG21 H 1 0.910 0.012 . 1 . 817 . A 67 ILE HG21 . 26053 1 706 . 1 1 67 67 ILE HG22 H 1 0.910 0.012 . 1 . 817 . A 67 ILE HG22 . 26053 1 707 . 1 1 67 67 ILE HG23 H 1 0.910 0.012 . 1 . 817 . A 67 ILE HG23 . 26053 1 708 . 1 1 67 67 ILE HD11 H 1 0.656 0.013 . 1 . 818 . A 67 ILE HD11 . 26053 1 709 . 1 1 67 67 ILE HD12 H 1 0.656 0.013 . 1 . 818 . A 67 ILE HD12 . 26053 1 710 . 1 1 67 67 ILE HD13 H 1 0.656 0.013 . 1 . 818 . A 67 ILE HD13 . 26053 1 711 . 1 1 67 67 ILE C C 13 173.550 0.005 . 1 . 312 . A 67 ILE C . 26053 1 712 . 1 1 67 67 ILE CA C 13 61.396 0.032 . 1 . 303 . A 67 ILE CA . 26053 1 713 . 1 1 67 67 ILE CB C 13 41.932 0.009 . 1 . 304 . A 67 ILE CB . 26053 1 714 . 1 1 67 67 ILE CG1 C 13 27.915 0.12 . 1 . 550 . A 67 ILE CG1 . 26053 1 715 . 1 1 67 67 ILE CG2 C 13 17.013 0.026 . 1 . 551 . A 67 ILE CG2 . 26053 1 716 . 1 1 67 67 ILE CD1 C 13 14.438 0.066 . 1 . 552 . A 67 ILE CD1 . 26053 1 717 . 1 1 67 67 ILE N N 15 119.982 0.065 . 1 . 168 . A 67 ILE N . 26053 1 718 . 1 1 68 68 LEU H H 1 9.019 0.004 . 1 . 59 . A 68 LEU H . 26053 1 719 . 1 1 68 68 LEU HA H 1 5.886 0.007 . 1 . 819 . A 68 LEU HA . 26053 1 720 . 1 1 68 68 LEU HB2 H 1 2.175 0.011 . 2 . 820 . A 68 LEU HB2 . 26053 1 721 . 1 1 68 68 LEU HB3 H 1 1.552 0.011 . 2 . 821 . A 68 LEU HB3 . 26053 1 722 . 1 1 68 68 LEU HG H 1 1.767 0.01 . 1 . 822 . A 68 LEU HG . 26053 1 723 . 1 1 68 68 LEU HD11 H 1 0.947 0.014 . 2 . 824 . A 68 LEU HD11 . 26053 1 724 . 1 1 68 68 LEU HD12 H 1 0.947 0.014 . 2 . 824 . A 68 LEU HD12 . 26053 1 725 . 1 1 68 68 LEU HD13 H 1 0.947 0.014 . 2 . 824 . A 68 LEU HD13 . 26053 1 726 . 1 1 68 68 LEU HD21 H 1 0.934 0.007 . 2 . 825 . A 68 LEU HD21 . 26053 1 727 . 1 1 68 68 LEU HD22 H 1 0.934 0.007 . 2 . 825 . A 68 LEU HD22 . 26053 1 728 . 1 1 68 68 LEU HD23 H 1 0.934 0.007 . 2 . 825 . A 68 LEU HD23 . 26053 1 729 . 1 1 68 68 LEU C C 13 175.943 0.011 . 1 . 313 . A 68 LEU C . 26053 1 730 . 1 1 68 68 LEU CA C 13 53.411 0.02 . 1 . 305 . A 68 LEU CA . 26053 1 731 . 1 1 68 68 LEU CB C 13 46.932 0.04 . 1 . 306 . A 68 LEU CB . 26053 1 732 . 1 1 68 68 LEU CG C 13 27.976 0.054 . 1 . 553 . A 68 LEU CG . 26053 1 733 . 1 1 68 68 LEU CD1 C 13 25.222 0.042 . 2 . 554 . A 68 LEU CD1 . 26053 1 734 . 1 1 68 68 LEU CD2 C 13 26.947 0.027 . 2 . 823 . A 68 LEU CD2 . 26053 1 735 . 1 1 68 68 LEU N N 15 131.336 0.081 . 1 . 60 . A 68 LEU N . 26053 1 736 . 1 1 69 69 GLU H H 1 9.143 0.003 . 1 . 23 . A 69 GLU H . 26053 1 737 . 1 1 69 69 GLU HA H 1 5.125 0.015 . 1 . 826 . A 69 GLU HA . 26053 1 738 . 1 1 69 69 GLU HB2 H 1 2.163 0.004 . 2 . 829 . A 69 GLU HB2 . 26053 1 739 . 1 1 69 69 GLU HB3 H 1 2.487 0.014 . 2 . 830 . A 69 GLU HB3 . 26053 1 740 . 1 1 69 69 GLU HG2 H 1 2.517 0.004 . 2 . 827 . A 69 GLU HG2 . 26053 1 741 . 1 1 69 69 GLU HG3 H 1 2.514 0.005 . 2 . 828 . A 69 GLU HG3 . 26053 1 742 . 1 1 69 69 GLU C C 13 175.939 0.006 . 1 . 314 . A 69 GLU C . 26053 1 743 . 1 1 69 69 GLU CA C 13 55.300 0.035 . 1 . 307 . A 69 GLU CA . 26053 1 744 . 1 1 69 69 GLU CB C 13 34.935 0.048 . 1 . 308 . A 69 GLU CB . 26053 1 745 . 1 1 69 69 GLU CG C 13 36.844 0.054 . 1 . 555 . A 69 GLU CG . 26053 1 746 . 1 1 69 69 GLU N N 15 120.926 0.064 . 1 . 24 . A 69 GLU N . 26053 1 747 . 1 1 70 70 ARG H H 1 8.554 0.003 . 1 . 13 . A 70 ARG H . 26053 1 748 . 1 1 70 70 ARG HA H 1 3.196 0.006 . 1 . 831 . A 70 ARG HA . 26053 1 749 . 1 1 70 70 ARG HB2 H 1 0.989 0.005 . 2 . 834 . A 70 ARG HB2 . 26053 1 750 . 1 1 70 70 ARG HB3 H 1 0.375 0.005 . 2 . 835 . A 70 ARG HB3 . 26053 1 751 . 1 1 70 70 ARG HG2 H 1 1.272 0.004 . 2 . 836 . A 70 ARG HG2 . 26053 1 752 . 1 1 70 70 ARG HG3 H 1 0.228 0.005 . 2 . 837 . A 70 ARG HG3 . 26053 1 753 . 1 1 70 70 ARG HD2 H 1 2.079 0.004 . 2 . 832 . A 70 ARG HD2 . 26053 1 754 . 1 1 70 70 ARG HD3 H 1 0.847 0.007 . 2 . 833 . A 70 ARG HD3 . 26053 1 755 . 1 1 70 70 ARG C C 13 175.336 0.012 . 1 . 315 . A 70 ARG C . 26053 1 756 . 1 1 70 70 ARG CA C 13 58.122 0.036 . 1 . 310 . A 70 ARG CA . 26053 1 757 . 1 1 70 70 ARG CB C 13 31.292 0.044 . 1 . 309 . A 70 ARG CB . 26053 1 758 . 1 1 70 70 ARG CG C 13 29.741 0.045 . 1 . 557 . A 70 ARG CG . 26053 1 759 . 1 1 70 70 ARG CD C 13 43.422 0.027 . 1 . 556 . A 70 ARG CD . 26053 1 760 . 1 1 70 70 ARG N N 15 122.917 0.083 . 1 . 14 . A 70 ARG N . 26053 1 761 . 1 1 71 71 VAL H H 1 8.258 0.005 . 1 . 127 . A 71 VAL H . 26053 1 762 . 1 1 71 71 VAL HA H 1 3.719 0.016 . 1 . 847 . A 71 VAL HA . 26053 1 763 . 1 1 71 71 VAL HB H 1 1.350 0.011 . 1 . 848 . A 71 VAL HB . 26053 1 764 . 1 1 71 71 VAL HG11 H 1 0.095 0.004 . 2 . 669 . A 71 VAL HG11 . 26053 1 765 . 1 1 71 71 VAL HG12 H 1 0.095 0.004 . 2 . 669 . A 71 VAL HG12 . 26053 1 766 . 1 1 71 71 VAL HG13 H 1 0.095 0.004 . 2 . 669 . A 71 VAL HG13 . 26053 1 767 . 1 1 71 71 VAL HG21 H 1 0.521 0.005 . 2 . 849 . A 71 VAL HG21 . 26053 1 768 . 1 1 71 71 VAL HG22 H 1 0.521 0.005 . 2 . 849 . A 71 VAL HG22 . 26053 1 769 . 1 1 71 71 VAL HG23 H 1 0.521 0.005 . 2 . 849 . A 71 VAL HG23 . 26053 1 770 . 1 1 71 71 VAL C C 13 173.645 0.011 . 1 . 316 . A 71 VAL C . 26053 1 771 . 1 1 71 71 VAL CA C 13 63.958 0.106 . 1 . 317 . A 71 VAL CA . 26053 1 772 . 1 1 71 71 VAL CB C 13 34.722 0.055 . 1 . 318 . A 71 VAL CB . 26053 1 773 . 1 1 71 71 VAL CG1 C 13 21.017 0.049 . 2 . 845 . A 71 VAL CG1 . 26053 1 774 . 1 1 71 71 VAL CG2 C 13 20.741 0.031 . 2 . 846 . A 71 VAL CG2 . 26053 1 775 . 1 1 71 71 VAL N N 15 118.421 0.112 . 1 . 128 . A 71 VAL N . 26053 1 776 . 1 1 72 72 ASN H H 1 7.692 0.006 . 1 . 841 . A 72 ASN H . 26053 1 777 . 1 1 72 72 ASN HA H 1 4.713 0.004 . 1 . 838 . A 72 ASN HA . 26053 1 778 . 1 1 72 72 ASN HB2 H 1 2.025 0.005 . 2 . 839 . A 72 ASN HB2 . 26053 1 779 . 1 1 72 72 ASN HB3 H 1 3.249 0.009 . 2 . 840 . A 72 ASN HB3 . 26053 1 780 . 1 1 72 72 ASN HD21 H 1 7.141 0.007 . 1 . 1037 . A 72 ASN HD21 . 26053 1 781 . 1 1 72 72 ASN HD22 H 1 7.269 0.008 . 1 . 1038 . A 72 ASN HD22 . 26053 1 782 . 1 1 72 72 ASN C C 13 172.197 0.007 . 1 . 587 . A 72 ASN C . 26053 1 783 . 1 1 72 72 ASN CA C 13 51.272 0.063 . 1 . 479 . A 72 ASN CA . 26053 1 784 . 1 1 72 72 ASN CB C 13 40.842 0.057 . 1 . 480 . A 72 ASN CB . 26053 1 785 . 1 1 72 72 ASN N N 15 111.682 0.065 . 1 . 842 . A 72 ASN N . 26053 1 786 . 1 1 72 72 ASN ND2 N 15 110.849 0.04 . 1 . 1036 . A 72 ASN ND2 . 26053 1 787 . 1 1 73 73 ILE H H 1 8.712 0.006 . 1 . 203 . A 73 ILE H . 26053 1 788 . 1 1 73 73 ILE HA H 1 4.342 0.007 . 1 . 852 . A 73 ILE HA . 26053 1 789 . 1 1 73 73 ILE HB H 1 1.067 0.004 . 1 . 853 . A 73 ILE HB . 26053 1 790 . 1 1 73 73 ILE HG12 H 1 -0.860 0.006 . 2 . 854 . A 73 ILE HG12 . 26053 1 791 . 1 1 73 73 ILE HG13 H 1 0.295 0.011 . 2 . 855 . A 73 ILE HG13 . 26053 1 792 . 1 1 73 73 ILE HG21 H 1 0.194 0.008 . 1 . 856 . A 73 ILE HG21 . 26053 1 793 . 1 1 73 73 ILE HG22 H 1 0.194 0.008 . 1 . 856 . A 73 ILE HG22 . 26053 1 794 . 1 1 73 73 ILE HG23 H 1 0.194 0.008 . 1 . 856 . A 73 ILE HG23 . 26053 1 795 . 1 1 73 73 ILE HD11 H 1 -0.037 0.006 . 1 . 857 . A 73 ILE HD11 . 26053 1 796 . 1 1 73 73 ILE HD12 H 1 -0.037 0.006 . 1 . 857 . A 73 ILE HD12 . 26053 1 797 . 1 1 73 73 ILE HD13 H 1 -0.037 0.006 . 1 . 857 . A 73 ILE HD13 . 26053 1 798 . 1 1 73 73 ILE C C 13 174.776 0.02 . 1 . 477 . A 73 ILE C . 26053 1 799 . 1 1 73 73 ILE CA C 13 60.672 0.026 . 1 . 476 . A 73 ILE CA . 26053 1 800 . 1 1 73 73 ILE CB C 13 40.423 0.078 . 1 . 475 . A 73 ILE CB . 26053 1 801 . 1 1 73 73 ILE CG1 C 13 26.378 0.044 . 1 . 558 . A 73 ILE CG1 . 26053 1 802 . 1 1 73 73 ILE CG2 C 13 16.819 0.018 . 1 . 559 . A 73 ILE CG2 . 26053 1 803 . 1 1 73 73 ILE CD1 C 13 12.794 0.011 . 1 . 560 . A 73 ILE CD1 . 26053 1 804 . 1 1 73 73 ILE N N 15 122.699 0.072 . 1 . 204 . A 73 ILE N . 26053 1 805 . 1 1 74 74 VAL H H 1 8.340 0.007 . 1 . 161 . A 74 VAL H . 26053 1 806 . 1 1 74 74 VAL HA H 1 4.091 0.002 . 1 . 858 . A 74 VAL HA . 26053 1 807 . 1 1 74 74 VAL HB H 1 1.727 0.016 . 1 . 859 . A 74 VAL HB . 26053 1 808 . 1 1 74 74 VAL HG11 H 1 0.494 0.01 . 2 . 861 . A 74 VAL HG11 . 26053 1 809 . 1 1 74 74 VAL HG12 H 1 0.494 0.01 . 2 . 861 . A 74 VAL HG12 . 26053 1 810 . 1 1 74 74 VAL HG13 H 1 0.494 0.01 . 2 . 861 . A 74 VAL HG13 . 26053 1 811 . 1 1 74 74 VAL HG21 H 1 0.344 0.008 . 2 . 863 . A 74 VAL HG21 . 26053 1 812 . 1 1 74 74 VAL HG22 H 1 0.344 0.008 . 2 . 863 . A 74 VAL HG22 . 26053 1 813 . 1 1 74 74 VAL HG23 H 1 0.344 0.008 . 2 . 863 . A 74 VAL HG23 . 26053 1 814 . 1 1 74 74 VAL C C 13 176.799 0.1 . 1 . 478 . A 74 VAL C . 26053 1 815 . 1 1 74 74 VAL CA C 13 61.212 0.078 . 1 . 481 . A 74 VAL CA . 26053 1 816 . 1 1 74 74 VAL CB C 13 34.153 0.028 . 1 . 482 . A 74 VAL CB . 26053 1 817 . 1 1 74 74 VAL CG1 C 13 20.422 0.004 . 2 . 860 . A 74 VAL CG1 . 26053 1 818 . 1 1 74 74 VAL CG2 C 13 19.338 0.024 . 2 . 862 . A 74 VAL CG2 . 26053 1 819 . 1 1 74 74 VAL N N 15 125.436 0.062 . 1 . 162 . A 74 VAL N . 26053 1 820 . 1 1 75 75 ASN HA H 1 4.294 0.013 . 1 . 594 . A 75 ASN HA . 26053 1 821 . 1 1 75 75 ASN HB2 H 1 3.029 0.003 . 2 . 592 . A 75 ASN HB2 . 26053 1 822 . 1 1 75 75 ASN HB3 H 1 2.751 0.006 . 2 . 593 . A 75 ASN HB3 . 26053 1 823 . 1 1 75 75 ASN HD21 H 1 7.664 0.012 . 1 . 1049 . A 75 ASN HD21 . 26053 1 824 . 1 1 75 75 ASN HD22 H 1 6.896 0.007 . 1 . 1050 . A 75 ASN HD22 . 26053 1 825 . 1 1 75 75 ASN C C 13 174.966 0.01 . 1 . 588 . A 75 ASN C . 26053 1 826 . 1 1 75 75 ASN CA C 13 54.013 0.022 . 1 . 470 . A 75 ASN CA . 26053 1 827 . 1 1 75 75 ASN CB C 13 37.195 0.086 . 1 . 469 . A 75 ASN CB . 26053 1 828 . 1 1 75 75 ASN ND2 N 15 112.923 0.032 . 1 . 1048 . A 75 ASN ND2 . 26053 1 829 . 1 1 76 76 GLY H H 1 8.224 0.004 . 1 . 119 . A 76 GLY H . 26053 1 830 . 1 1 76 76 GLY HA2 H 1 3.338 0.01 . 2 . 864 . A 76 GLY HA2 . 26053 1 831 . 1 1 76 76 GLY HA3 H 1 3.952 0.004 . 2 . 865 . A 76 GLY HA3 . 26053 1 832 . 1 1 76 76 GLY C C 13 172.877 0.034 . 1 . 465 . A 76 GLY C . 26053 1 833 . 1 1 76 76 GLY CA C 13 45.442 0.021 . 1 . 464 . A 76 GLY CA . 26053 1 834 . 1 1 76 76 GLY N N 15 101.222 0.089 . 1 . 120 . A 76 GLY N . 26053 1 835 . 1 1 77 77 ASN H H 1 7.706 0.008 . 1 . 153 . A 77 ASN H . 26053 1 836 . 1 1 77 77 ASN HA H 1 4.783 0.003 . 1 . 866 . A 77 ASN HA . 26053 1 837 . 1 1 77 77 ASN HB2 H 1 2.885 0.01 . 2 . 867 . A 77 ASN HB2 . 26053 1 838 . 1 1 77 77 ASN HB3 H 1 2.463 0.011 . 2 . 868 . A 77 ASN HB3 . 26053 1 839 . 1 1 77 77 ASN HD21 H 1 7.444 0.006 . 1 . 1051 . A 77 ASN HD21 . 26053 1 840 . 1 1 77 77 ASN HD22 H 1 6.887 0.005 . 1 . 1053 . A 77 ASN HD22 . 26053 1 841 . 1 1 77 77 ASN C C 13 172.684 0.014 . 1 . 466 . A 77 ASN C . 26053 1 842 . 1 1 77 77 ASN CA C 13 51.539 0.032 . 1 . 468 . A 77 ASN CA . 26053 1 843 . 1 1 77 77 ASN CB C 13 40.602 0.096 . 1 . 467 . A 77 ASN CB . 26053 1 844 . 1 1 77 77 ASN N N 15 117.244 0.066 . 1 . 154 . A 77 ASN N . 26053 1 845 . 1 1 77 77 ASN ND2 N 15 112.417 0.054 . 1 . 1052 . A 77 ASN ND2 . 26053 1 846 . 1 1 78 78 GLY H H 1 7.030 0.009 . 1 . 843 . A 78 GLY H . 26053 1 847 . 1 1 78 78 GLY HA2 H 1 3.474 0.013 . 2 . 869 . A 78 GLY HA2 . 26053 1 848 . 1 1 78 78 GLY HA3 H 1 3.662 0.005 . 2 . 870 . A 78 GLY HA3 . 26053 1 849 . 1 1 78 78 GLY C C 13 171.239 0.005 . 1 . 253 . A 78 GLY C . 26053 1 850 . 1 1 78 78 GLY CA C 13 45.654 0.045 . 1 . 245 . A 78 GLY CA . 26053 1 851 . 1 1 78 78 GLY N N 15 111.674 0.077 . 1 . 844 . A 78 GLY N . 26053 1 852 . 1 1 79 79 TYR H H 1 9.206 0.005 . 1 . 159 . A 79 TYR H . 26053 1 853 . 1 1 79 79 TYR HA H 1 5.858 0.004 . 1 . 871 . A 79 TYR HA . 26053 1 854 . 1 1 79 79 TYR HB2 H 1 2.531 0.009 . 2 . 872 . A 79 TYR HB2 . 26053 1 855 . 1 1 79 79 TYR HB3 H 1 2.744 0.006 . 2 . 873 . A 79 TYR HB3 . 26053 1 856 . 1 1 79 79 TYR HD1 H 1 7.003 0.01 . 1 . 1105 . A 79 TYR HD1 . 26053 1 857 . 1 1 79 79 TYR HD2 H 1 7.003 0.01 . 1 . 1105 . A 79 TYR HD2 . 26053 1 858 . 1 1 79 79 TYR HE1 H 1 6.878 0.016 . 1 . 1106 . A 79 TYR HE1 . 26053 1 859 . 1 1 79 79 TYR HE2 H 1 6.878 0.016 . 1 . 1106 . A 79 TYR HE2 . 26053 1 860 . 1 1 79 79 TYR C C 13 175.163 0.012 . 1 . 234 . A 79 TYR C . 26053 1 861 . 1 1 79 79 TYR CA C 13 56.762 0.037 . 1 . 229 . A 79 TYR CA . 26053 1 862 . 1 1 79 79 TYR CB C 13 39.292 0.068 . 1 . 230 . A 79 TYR CB . 26053 1 863 . 1 1 79 79 TYR CD1 C 13 132.511 0.142 . 1 . 1133 . A 79 TYR CD1 . 26053 1 864 . 1 1 79 79 TYR CD2 C 13 132.511 0.142 . 1 . 1133 . A 79 TYR CD2 . 26053 1 865 . 1 1 79 79 TYR CE1 C 13 117.768 0.03 . 1 . 1134 . A 79 TYR CE1 . 26053 1 866 . 1 1 79 79 TYR CE2 C 13 117.768 0.03 . 1 . 1134 . A 79 TYR CE2 . 26053 1 867 . 1 1 79 79 TYR N N 15 123.112 0.074 . 1 . 160 . A 79 TYR N . 26053 1 868 . 1 1 80 80 TYR H H 1 9.307 0.01 . 1 . 171 . A 80 TYR H . 26053 1 869 . 1 1 80 80 TYR HA H 1 5.601 0.017 . 1 . 874 . A 80 TYR HA . 26053 1 870 . 1 1 80 80 TYR HB2 H 1 2.963 0.004 . 2 . 875 . A 80 TYR HB2 . 26053 1 871 . 1 1 80 80 TYR HB3 H 1 2.741 0.006 . 2 . 876 . A 80 TYR HB3 . 26053 1 872 . 1 1 80 80 TYR HD1 H 1 6.910 0.011 . 1 . 1103 . A 80 TYR HD1 . 26053 1 873 . 1 1 80 80 TYR HD2 H 1 6.910 0.011 . 1 . 1103 . A 80 TYR HD2 . 26053 1 874 . 1 1 80 80 TYR C C 13 173.683 0.042 . 1 . 233 . A 80 TYR C . 26053 1 875 . 1 1 80 80 TYR CA C 13 55.505 0.122 . 1 . 228 . A 80 TYR CA . 26053 1 876 . 1 1 80 80 TYR CB C 13 43.089 0.053 . 1 . 227 . A 80 TYR CB . 26053 1 877 . 1 1 80 80 TYR N N 15 121.424 0.069 . 1 . 172 . A 80 TYR N . 26053 1 878 . 1 1 81 81 ASN H H 1 9.346 0.006 . 1 . 3 . A 81 ASN H . 26053 1 879 . 1 1 81 81 ASN HA H 1 6.043 0.009 . 1 . 877 . A 81 ASN HA . 26053 1 880 . 1 1 81 81 ASN HB2 H 1 2.181 0.007 . 2 . 878 . A 81 ASN HB2 . 26053 1 881 . 1 1 81 81 ASN HB3 H 1 2.701 0.011 . 2 . 879 . A 81 ASN HB3 . 26053 1 882 . 1 1 81 81 ASN HD21 H 1 8.399 0.007 . 1 . 1034 . A 81 ASN HD21 . 26053 1 883 . 1 1 81 81 ASN HD22 H 1 7.652 0.016 . 1 . 1035 . A 81 ASN HD22 . 26053 1 884 . 1 1 81 81 ASN C C 13 173.349 0.013 . 1 . 231 . A 81 ASN C . 26053 1 885 . 1 1 81 81 ASN CA C 13 50.256 0.036 . 1 . 235 . A 81 ASN CA . 26053 1 886 . 1 1 81 81 ASN CB C 13 42.410 0.056 . 1 . 236 . A 81 ASN CB . 26053 1 887 . 1 1 81 81 ASN N N 15 118.659 0.053 . 1 . 4 . A 81 ASN N . 26053 1 888 . 1 1 81 81 ASN ND2 N 15 108.808 0.05 . 1 . 1033 . A 81 ASN ND2 . 26053 1 889 . 1 1 82 82 LEU H H 1 8.147 0.004 . 1 . 143 . A 82 LEU H . 26053 1 890 . 1 1 82 82 LEU HA H 1 5.161 0.01 . 1 . 880 . A 82 LEU HA . 26053 1 891 . 1 1 82 82 LEU HB2 H 1 0.943 0.01 . 2 . 881 . A 82 LEU HB2 . 26053 1 892 . 1 1 82 82 LEU HB3 H 1 0.593 0.014 . 2 . 882 . A 82 LEU HB3 . 26053 1 893 . 1 1 82 82 LEU HG H 1 1.250 0.014 . 1 . 884 . A 82 LEU HG . 26053 1 894 . 1 1 82 82 LEU HD11 H 1 0.361 0.015 . 2 . 885 . A 82 LEU HD11 . 26053 1 895 . 1 1 82 82 LEU HD12 H 1 0.361 0.015 . 2 . 885 . A 82 LEU HD12 . 26053 1 896 . 1 1 82 82 LEU HD13 H 1 0.361 0.015 . 2 . 885 . A 82 LEU HD13 . 26053 1 897 . 1 1 82 82 LEU HD21 H 1 0.617 0.01 . 2 . 928 . A 82 LEU HD21 . 26053 1 898 . 1 1 82 82 LEU HD22 H 1 0.617 0.01 . 2 . 928 . A 82 LEU HD22 . 26053 1 899 . 1 1 82 82 LEU HD23 H 1 0.617 0.01 . 2 . 928 . A 82 LEU HD23 . 26053 1 900 . 1 1 82 82 LEU C C 13 173.963 0.013 . 1 . 232 . A 82 LEU C . 26053 1 901 . 1 1 82 82 LEU CA C 13 52.900 0.088 . 1 . 238 . A 82 LEU CA . 26053 1 902 . 1 1 82 82 LEU CB C 13 45.661 0.044 . 1 . 239 . A 82 LEU CB . 26053 1 903 . 1 1 82 82 LEU CG C 13 27.359 0.0 . 1 . 883 . A 82 LEU CG . 26053 1 904 . 1 1 82 82 LEU CD1 C 13 27.182 0.065 . 2 . 561 . A 82 LEU CD1 . 26053 1 905 . 1 1 82 82 LEU CD2 C 13 25.792 0.032 . 2 . 562 . A 82 LEU CD2 . 26053 1 906 . 1 1 82 82 LEU N N 15 122.431 0.081 . 1 . 144 . A 82 LEU N . 26053 1 907 . 1 1 83 83 TYR H H 1 9.444 0.004 . 1 . 117 . A 83 TYR H . 26053 1 908 . 1 1 83 83 TYR HA H 1 5.239 0.004 . 1 . 889 . A 83 TYR HA . 26053 1 909 . 1 1 83 83 TYR HB2 H 1 2.883 0.011 . 2 . 887 . A 83 TYR HB2 . 26053 1 910 . 1 1 83 83 TYR HB3 H 1 2.722 0.006 . 2 . 888 . A 83 TYR HB3 . 26053 1 911 . 1 1 83 83 TYR C C 13 176.709 0.004 . 1 . 237 . A 83 TYR C . 26053 1 912 . 1 1 83 83 TYR CA C 13 55.628 0.035 . 1 . 241 . A 83 TYR CA . 26053 1 913 . 1 1 83 83 TYR CB C 13 41.758 0.04 . 1 . 242 . A 83 TYR CB . 26053 1 914 . 1 1 83 83 TYR N N 15 122.451 0.075 . 1 . 118 . A 83 TYR N . 26053 1 915 . 1 1 84 84 LYS H H 1 8.651 0.007 . 1 . 51 . A 84 LYS H . 26053 1 916 . 1 1 84 84 LYS HA H 1 4.403 0.003 . 1 . 890 . A 84 LYS HA . 26053 1 917 . 1 1 84 84 LYS HB2 H 1 2.196 0.01 . 2 . 891 . A 84 LYS HB2 . 26053 1 918 . 1 1 84 84 LYS HB3 H 1 1.947 0.01 . 2 . 892 . A 84 LYS HB3 . 26053 1 919 . 1 1 84 84 LYS HG2 H 1 1.470 0.008 . 2 . 894 . A 84 LYS HG2 . 26053 1 920 . 1 1 84 84 LYS HG3 H 1 1.651 0.008 . 2 . 895 . A 84 LYS HG3 . 26053 1 921 . 1 1 84 84 LYS HD2 H 1 1.835 0.014 . 2 . 897 . A 84 LYS HD2 . 26053 1 922 . 1 1 84 84 LYS HD3 H 1 1.805 0.009 . 2 . 898 . A 84 LYS HD3 . 26053 1 923 . 1 1 84 84 LYS HE2 H 1 3.221 0.014 . 2 . 900 . A 84 LYS HE2 . 26053 1 924 . 1 1 84 84 LYS HE3 H 1 3.025 0.003 . 2 . 901 . A 84 LYS HE3 . 26053 1 925 . 1 1 84 84 LYS C C 13 175.986 0.1 . 1 . 240 . A 84 LYS C . 26053 1 926 . 1 1 84 84 LYS CA C 13 56.439 0.033 . 1 . 244 . A 84 LYS CA . 26053 1 927 . 1 1 84 84 LYS CB C 13 32.271 0.062 . 1 . 243 . A 84 LYS CB . 26053 1 928 . 1 1 84 84 LYS CG C 13 26.628 0.068 . 1 . 893 . A 84 LYS CG . 26053 1 929 . 1 1 84 84 LYS CD C 13 29.986 0.039 . 1 . 896 . A 84 LYS CD . 26053 1 930 . 1 1 84 84 LYS CE C 13 42.144 0.023 . 1 . 899 . A 84 LYS CE . 26053 1 931 . 1 1 84 84 LYS N N 15 118.011 0.06 . 1 . 52 . A 84 LYS N . 26053 1 932 . 1 1 85 85 PRO HA H 1 3.970 0.011 . 1 . 902 . A 85 PRO HA . 26053 1 933 . 1 1 85 85 PRO HB2 H 1 2.197 0.007 . 2 . 907 . A 85 PRO HB2 . 26053 1 934 . 1 1 85 85 PRO HB3 H 1 1.923 0.01 . 2 . 908 . A 85 PRO HB3 . 26053 1 935 . 1 1 85 85 PRO HG2 H 1 1.533 0.016 . 2 . 909 . A 85 PRO HG2 . 26053 1 936 . 1 1 85 85 PRO HG3 H 1 2.197 0.006 . 2 . 910 . A 85 PRO HG3 . 26053 1 937 . 1 1 85 85 PRO HD2 H 1 3.950 0.013 . 2 . 905 . A 85 PRO HD2 . 26053 1 938 . 1 1 85 85 PRO HD3 H 1 3.947 0.01 . 2 . 906 . A 85 PRO HD3 . 26053 1 939 . 1 1 85 85 PRO C C 13 175.185 0.007 . 1 . 369 . A 85 PRO C . 26053 1 940 . 1 1 85 85 PRO CA C 13 65.163 0.073 . 1 . 376 . A 85 PRO CA . 26053 1 941 . 1 1 85 85 PRO CB C 13 31.834 0.041 . 1 . 374 . A 85 PRO CB . 26053 1 942 . 1 1 85 85 PRO CG C 13 29.219 0.029 . 1 . 375 . A 85 PRO CG . 26053 1 943 . 1 1 85 85 PRO CD C 13 50.418 0.037 . 1 . 904 . A 85 PRO CD . 26053 1 944 . 1 1 86 86 ASP H H 1 7.024 0.002 . 1 . 75 . A 86 ASP H . 26053 1 945 . 1 1 86 86 ASP HA H 1 4.442 0.007 . 1 . 911 . A 86 ASP HA . 26053 1 946 . 1 1 86 86 ASP HB2 H 1 3.099 0.003 . 2 . 912 . A 86 ASP HB2 . 26053 1 947 . 1 1 86 86 ASP HB3 H 1 2.576 0.009 . 2 . 913 . A 86 ASP HB3 . 26053 1 948 . 1 1 86 86 ASP C C 13 177.359 0.009 . 1 . 370 . A 86 ASP C . 26053 1 949 . 1 1 86 86 ASP CA C 13 52.898 0.038 . 1 . 367 . A 86 ASP CA . 26053 1 950 . 1 1 86 86 ASP CB C 13 39.917 0.051 . 1 . 368 . A 86 ASP CB . 26053 1 951 . 1 1 86 86 ASP N N 15 110.042 0.069 . 1 . 76 . A 86 ASP N . 26053 1 952 . 1 1 87 87 GLY H H 1 8.625 0.008 . 1 . 165 . A 87 GLY H . 26053 1 953 . 1 1 87 87 GLY HA2 H 1 2.994 0.005 . 2 . 914 . A 87 GLY HA2 . 26053 1 954 . 1 1 87 87 GLY HA3 H 1 4.409 0.007 . 2 . 915 . A 87 GLY HA3 . 26053 1 955 . 1 1 87 87 GLY C C 13 173.751 0.015 . 1 . 371 . A 87 GLY C . 26053 1 956 . 1 1 87 87 GLY CA C 13 45.561 0.023 . 1 . 366 . A 87 GLY CA . 26053 1 957 . 1 1 87 87 GLY N N 15 108.932 0.073 . 1 . 166 . A 87 GLY N . 26053 1 958 . 1 1 88 88 THR H H 1 8.103 0.003 . 1 . 177 . A 88 THR H . 26053 1 959 . 1 1 88 88 THR HA H 1 3.944 0.015 . 1 . 917 . A 88 THR HA . 26053 1 960 . 1 1 88 88 THR HB H 1 3.880 0.015 . 1 . 916 . A 88 THR HB . 26053 1 961 . 1 1 88 88 THR HG21 H 1 1.263 0.007 . 1 . 918 . A 88 THR HG21 . 26053 1 962 . 1 1 88 88 THR HG22 H 1 1.263 0.007 . 1 . 918 . A 88 THR HG22 . 26053 1 963 . 1 1 88 88 THR HG23 H 1 1.263 0.007 . 1 . 918 . A 88 THR HG23 . 26053 1 964 . 1 1 88 88 THR C C 13 174.889 0.008 . 1 . 372 . A 88 THR C . 26053 1 965 . 1 1 88 88 THR CA C 13 64.983 0.02 . 1 . 365 . A 88 THR CA . 26053 1 966 . 1 1 88 88 THR CB C 13 69.209 0.043 . 1 . 364 . A 88 THR CB . 26053 1 967 . 1 1 88 88 THR CG2 C 13 20.844 0.025 . 1 . 563 . A 88 THR CG2 . 26053 1 968 . 1 1 88 88 THR N N 15 117.245 0.059 . 1 . 178 . A 88 THR N . 26053 1 969 . 1 1 89 89 TYR H H 1 8.928 0.006 . 1 . 11 . A 89 TYR H . 26053 1 970 . 1 1 89 89 TYR HA H 1 4.308 0.003 . 1 . 921 . A 89 TYR HA . 26053 1 971 . 1 1 89 89 TYR HB2 H 1 3.441 0.006 . 2 . 919 . A 89 TYR HB2 . 26053 1 972 . 1 1 89 89 TYR HB3 H 1 2.843 0.01 . 2 . 920 . A 89 TYR HB3 . 26053 1 973 . 1 1 89 89 TYR HD1 H 1 6.657 0.005 . 1 . 1102 . A 89 TYR HD1 . 26053 1 974 . 1 1 89 89 TYR HD2 H 1 6.657 0.005 . 1 . 1102 . A 89 TYR HD2 . 26053 1 975 . 1 1 89 89 TYR C C 13 173.904 0.01 . 1 . 373 . A 89 TYR C . 26053 1 976 . 1 1 89 89 TYR CA C 13 59.601 0.049 . 1 . 377 . A 89 TYR CA . 26053 1 977 . 1 1 89 89 TYR CB C 13 38.951 0.04 . 1 . 378 . A 89 TYR CB . 26053 1 978 . 1 1 89 89 TYR N N 15 128.188 0.07 . 1 . 12 . A 89 TYR N . 26053 1 979 . 1 1 90 90 LEU H H 1 7.681 0.006 . 1 . 105 . A 90 LEU H . 26053 1 980 . 1 1 90 90 LEU HA H 1 3.994 0.014 . 1 . 922 . A 90 LEU HA . 26053 1 981 . 1 1 90 90 LEU HB2 H 1 0.820 0.008 . 2 . 923 . A 90 LEU HB2 . 26053 1 982 . 1 1 90 90 LEU HB3 H 1 0.287 0.004 . 2 . 924 . A 90 LEU HB3 . 26053 1 983 . 1 1 90 90 LEU HG H 1 1.245 0.01 . 1 . 927 . A 90 LEU HG . 26053 1 984 . 1 1 90 90 LEU HD11 H 1 0.374 0.009 . 2 . 886 . A 90 LEU HD11 . 26053 1 985 . 1 1 90 90 LEU HD12 H 1 0.374 0.009 . 2 . 886 . A 90 LEU HD12 . 26053 1 986 . 1 1 90 90 LEU HD13 H 1 0.374 0.009 . 2 . 886 . A 90 LEU HD13 . 26053 1 987 . 1 1 90 90 LEU HD21 H 1 0.367 0.01 . 2 . 925 . A 90 LEU HD21 . 26053 1 988 . 1 1 90 90 LEU HD22 H 1 0.367 0.01 . 2 . 925 . A 90 LEU HD22 . 26053 1 989 . 1 1 90 90 LEU HD23 H 1 0.367 0.01 . 2 . 925 . A 90 LEU HD23 . 26053 1 990 . 1 1 90 90 LEU C C 13 174.682 0.005 . 1 . 383 . A 90 LEU C . 26053 1 991 . 1 1 90 90 LEU CA C 13 55.343 0.027 . 1 . 379 . A 90 LEU CA . 26053 1 992 . 1 1 90 90 LEU CB C 13 42.484 0.041 . 1 . 380 . A 90 LEU CB . 26053 1 993 . 1 1 90 90 LEU CG C 13 26.006 0.096 . 1 . 926 . A 90 LEU CG . 26053 1 994 . 1 1 90 90 LEU CD1 C 13 26.182 0.005 . 2 . 564 . A 90 LEU CD1 . 26053 1 995 . 1 1 90 90 LEU CD2 C 13 22.797 0.012 . 2 . 565 . A 90 LEU CD2 . 26053 1 996 . 1 1 90 90 LEU N N 15 127.915 0.065 . 1 . 106 . A 90 LEU N . 26053 1 997 . 1 1 91 91 PHE H H 1 6.149 0.003 . 1 . 93 . A 91 PHE H . 26053 1 998 . 1 1 91 91 PHE HA H 1 4.453 0.004 . 1 . 929 . A 91 PHE HA . 26053 1 999 . 1 1 91 91 PHE HB2 H 1 3.224 0.014 . 2 . 930 . A 91 PHE HB2 . 26053 1 1000 . 1 1 91 91 PHE HB3 H 1 2.691 0.009 . 2 . 931 . A 91 PHE HB3 . 26053 1 1001 . 1 1 91 91 PHE HD1 H 1 6.589 0.006 . 1 . 1109 . A 91 PHE HD1 . 26053 1 1002 . 1 1 91 91 PHE HD2 H 1 6.589 0.006 . 1 . 1109 . A 91 PHE HD2 . 26053 1 1003 . 1 1 91 91 PHE HE1 H 1 6.754 0.008 . 1 . 1111 . A 91 PHE HE1 . 26053 1 1004 . 1 1 91 91 PHE HE2 H 1 6.754 0.008 . 1 . 1111 . A 91 PHE HE2 . 26053 1 1005 . 1 1 91 91 PHE C C 13 174.028 0.02 . 1 . 384 . A 91 PHE C . 26053 1 1006 . 1 1 91 91 PHE CA C 13 55.718 0.03 . 1 . 382 . A 91 PHE CA . 26053 1 1007 . 1 1 91 91 PHE CB C 13 40.683 0.101 . 1 . 381 . A 91 PHE CB . 26053 1 1008 . 1 1 91 91 PHE CD1 C 13 131.953 0.046 . 1 . 1112 . A 91 PHE CD1 . 26053 1 1009 . 1 1 91 91 PHE CD2 C 13 131.953 0.046 . 1 . 1112 . A 91 PHE CD2 . 26053 1 1010 . 1 1 91 91 PHE N N 15 109.026 0.059 . 1 . 94 . A 91 PHE N . 26053 1 1011 . 1 1 92 92 THR H H 1 9.135 0.005 . 1 . 91 . A 92 THR H . 26053 1 1012 . 1 1 92 92 THR HA H 1 5.916 0.017 . 1 . 932 . A 92 THR HA . 26053 1 1013 . 1 1 92 92 THR HB H 1 4.024 0.01 . 1 . 933 . A 92 THR HB . 26053 1 1014 . 1 1 92 92 THR HG21 H 1 1.570 0.012 . 1 . 935 . A 92 THR HG21 . 26053 1 1015 . 1 1 92 92 THR HG22 H 1 1.570 0.012 . 1 . 935 . A 92 THR HG22 . 26053 1 1016 . 1 1 92 92 THR HG23 H 1 1.570 0.012 . 1 . 935 . A 92 THR HG23 . 26053 1 1017 . 1 1 92 92 THR C C 13 174.005 0.1 . 1 . 385 . A 92 THR C . 26053 1 1018 . 1 1 92 92 THR CA C 13 61.587 0.037 . 1 . 386 . A 92 THR CA . 26053 1 1019 . 1 1 92 92 THR CB C 13 71.620 0.026 . 1 . 387 . A 92 THR CB . 26053 1 1020 . 1 1 92 92 THR CG2 C 13 22.742 0.026 . 1 . 934 . A 92 THR CG2 . 26053 1 1021 . 1 1 92 92 THR N N 15 117.537 0.057 . 1 . 92 . A 92 THR N . 26053 1 1022 . 1 1 93 93 LEU H H 1 10.614 0.008 . 1 . 107 . A 93 LEU H . 26053 1 1023 . 1 1 93 93 LEU HA H 1 5.633 0.008 . 1 . 938 . A 93 LEU HA . 26053 1 1024 . 1 1 93 93 LEU HB2 H 1 1.641 0.015 . 2 . 936 . A 93 LEU HB2 . 26053 1 1025 . 1 1 93 93 LEU HB3 H 1 1.599 0.013 . 2 . 937 . A 93 LEU HB3 . 26053 1 1026 . 1 1 93 93 LEU HG H 1 2.332 0.006 . 1 . 943 . A 93 LEU HG . 26053 1 1027 . 1 1 93 93 LEU HD11 H 1 0.821 0.013 . 2 . 939 . A 93 LEU HD11 . 26053 1 1028 . 1 1 93 93 LEU HD12 H 1 0.821 0.013 . 2 . 939 . A 93 LEU HD12 . 26053 1 1029 . 1 1 93 93 LEU HD13 H 1 0.821 0.013 . 2 . 939 . A 93 LEU HD13 . 26053 1 1030 . 1 1 93 93 LEU HD21 H 1 0.896 0.012 . 2 . 940 . A 93 LEU HD21 . 26053 1 1031 . 1 1 93 93 LEU HD22 H 1 0.896 0.012 . 2 . 940 . A 93 LEU HD22 . 26053 1 1032 . 1 1 93 93 LEU HD23 H 1 0.896 0.012 . 2 . 940 . A 93 LEU HD23 . 26053 1 1033 . 1 1 93 93 LEU C C 13 173.465 0.005 . 1 . 589 . A 93 LEU C . 26053 1 1034 . 1 1 93 93 LEU CA C 13 53.090 0.035 . 1 . 485 . A 93 LEU CA . 26053 1 1035 . 1 1 93 93 LEU CB C 13 46.391 0.027 . 1 . 486 . A 93 LEU CB . 26053 1 1036 . 1 1 93 93 LEU CG C 13 25.311 0.032 . 1 . 944 . A 93 LEU CG . 26053 1 1037 . 1 1 93 93 LEU CD1 C 13 26.321 0.026 . 2 . 566 . A 93 LEU CD1 . 26053 1 1038 . 1 1 93 93 LEU CD2 C 13 27.566 0.031 . 2 . 941 . A 93 LEU CD2 . 26053 1 1039 . 1 1 93 93 LEU N N 15 125.534 0.031 . 1 . 108 . A 93 LEU N . 26053 1 1040 . 1 1 94 94 ASN H H 1 8.642 0.005 . 1 . 179 . A 94 ASN H . 26053 1 1041 . 1 1 94 94 ASN HA H 1 4.407 0.01 . 1 . 947 . A 94 ASN HA . 26053 1 1042 . 1 1 94 94 ASN HB2 H 1 2.521 0.005 . 2 . 945 . A 94 ASN HB2 . 26053 1 1043 . 1 1 94 94 ASN HB3 H 1 3.210 0.007 . 2 . 946 . A 94 ASN HB3 . 26053 1 1044 . 1 1 94 94 ASN HD21 H 1 7.977 0.011 . 1 . 1025 . A 94 ASN HD21 . 26053 1 1045 . 1 1 94 94 ASN HD22 H 1 6.339 0.007 . 1 . 1027 . A 94 ASN HD22 . 26053 1 1046 . 1 1 94 94 ASN C C 13 176.869 0.008 . 1 . 487 . A 94 ASN C . 26053 1 1047 . 1 1 94 94 ASN CA C 13 51.810 0.058 . 1 . 483 . A 94 ASN CA . 26053 1 1048 . 1 1 94 94 ASN CB C 13 40.121 0.054 . 1 . 484 . A 94 ASN CB . 26053 1 1049 . 1 1 94 94 ASN N N 15 121.483 0.067 . 1 . 180 . A 94 ASN N . 26053 1 1050 . 1 1 94 94 ASN ND2 N 15 113.885 0.029 . 1 . 1026 . A 94 ASN ND2 . 26053 1 1051 . 1 1 95 95 CYS H H 1 8.955 0.005 . 1 . 87 . A 95 CYS H . 26053 1 1052 . 1 1 95 95 CYS HA H 1 4.030 0.003 . 1 . 948 . A 95 CYS HA . 26053 1 1053 . 1 1 95 95 CYS HB2 H 1 1.819 0.008 . 2 . 949 . A 95 CYS HB2 . 26053 1 1054 . 1 1 95 95 CYS HB3 H 1 1.664 0.01 . 2 . 950 . A 95 CYS HB3 . 26053 1 1055 . 1 1 95 95 CYS C C 13 173.054 0.004 . 1 . 274 . A 95 CYS C . 26053 1 1056 . 1 1 95 95 CYS CA C 13 59.858 0.04 . 1 . 272 . A 95 CYS CA . 26053 1 1057 . 1 1 95 95 CYS CB C 13 26.607 0.069 . 1 . 273 . A 95 CYS CB . 26053 1 1058 . 1 1 95 95 CYS N N 15 124.571 0.076 . 1 . 88 . A 95 CYS N . 26053 1 1059 . 1 1 96 96 LYS H H 1 8.851 0.004 . 1 . 199 . A 96 LYS H . 26053 1 1060 . 1 1 96 96 LYS HA H 1 4.592 0.011 . 1 . 951 . A 96 LYS HA . 26053 1 1061 . 1 1 96 96 LYS HB2 H 1 1.833 0.008 . 2 . 952 . A 96 LYS HB2 . 26053 1 1062 . 1 1 96 96 LYS HB3 H 1 2.179 0.013 . 2 . 953 . A 96 LYS HB3 . 26053 1 1063 . 1 1 96 96 LYS HG2 H 1 1.641 0.012 . 2 . 954 . A 96 LYS HG2 . 26053 1 1064 . 1 1 96 96 LYS HG3 H 1 1.842 0.014 . 2 . 955 . A 96 LYS HG3 . 26053 1 1065 . 1 1 96 96 LYS HD2 H 1 1.785 0.022 . 2 . 958 . A 96 LYS HD2 . 26053 1 1066 . 1 1 96 96 LYS HD3 H 1 1.586 0.021 . 2 . 959 . A 96 LYS HD3 . 26053 1 1067 . 1 1 96 96 LYS HE2 H 1 3.092 0.005 . 2 . 956 . A 96 LYS HE2 . 26053 1 1068 . 1 1 96 96 LYS HE3 H 1 3.281 0.009 . 2 . 957 . A 96 LYS HE3 . 26053 1 1069 . 1 1 96 96 LYS C C 13 178.538 0.009 . 1 . 271 . A 96 LYS C . 26053 1 1070 . 1 1 96 96 LYS CA C 13 54.931 0.032 . 1 . 270 . A 96 LYS CA . 26053 1 1071 . 1 1 96 96 LYS CB C 13 32.442 0.048 . 1 . 269 . A 96 LYS CB . 26053 1 1072 . 1 1 96 96 LYS CG C 13 24.946 0.043 . 1 . 569 . A 96 LYS CG . 26053 1 1073 . 1 1 96 96 LYS CD C 13 27.542 0.084 . 1 . 568 . A 96 LYS CD . 26053 1 1074 . 1 1 96 96 LYS CE C 13 42.637 0.028 . 1 . 567 . A 96 LYS CE . 26053 1 1075 . 1 1 96 96 LYS N N 15 118.687 0.059 . 1 . 200 . A 96 LYS N . 26053 1 1076 . 1 1 97 97 THR H H 1 7.318 0.004 . 1 . 155 . A 97 THR H . 26053 1 1077 . 1 1 97 97 THR HA H 1 4.454 0.004 . 1 . 961 . A 97 THR HA . 26053 1 1078 . 1 1 97 97 THR HB H 1 4.298 0.005 . 1 . 960 . A 97 THR HB . 26053 1 1079 . 1 1 97 97 THR HG21 H 1 1.088 0.004 . 1 . 962 . A 97 THR HG21 . 26053 1 1080 . 1 1 97 97 THR HG22 H 1 1.088 0.004 . 1 . 962 . A 97 THR HG22 . 26053 1 1081 . 1 1 97 97 THR HG23 H 1 1.088 0.004 . 1 . 962 . A 97 THR HG23 . 26053 1 1082 . 1 1 97 97 THR C C 13 176.543 0.035 . 1 . 264 . A 97 THR C . 26053 1 1083 . 1 1 97 97 THR CA C 13 61.032 0.031 . 1 . 262 . A 97 THR CA . 26053 1 1084 . 1 1 97 97 THR CB C 13 71.051 0.055 . 1 . 261 . A 97 THR CB . 26053 1 1085 . 1 1 97 97 THR CG2 C 13 20.817 0.013 . 1 . 570 . A 97 THR CG2 . 26053 1 1086 . 1 1 97 97 THR N N 15 106.280 0.061 . 1 . 156 . A 97 THR N . 26053 1 1087 . 1 1 98 98 GLY H H 1 8.508 0.005 . 1 . 101 . A 98 GLY H . 26053 1 1088 . 1 1 98 98 GLY HA2 H 1 4.323 0.006 . 2 . 963 . A 98 GLY HA2 . 26053 1 1089 . 1 1 98 98 GLY HA3 H 1 3.572 0.006 . 2 . 964 . A 98 GLY HA3 . 26053 1 1090 . 1 1 98 98 GLY C C 13 172.572 0.014 . 1 . 265 . A 98 GLY C . 26053 1 1091 . 1 1 98 98 GLY CA C 13 46.252 0.063 . 1 . 260 . A 98 GLY CA . 26053 1 1092 . 1 1 98 98 GLY N N 15 110.885 0.061 . 1 . 102 . A 98 GLY N . 26053 1 1093 . 1 1 99 99 TYR H H 1 7.780 0.004 . 1 . 181 . A 99 TYR H . 26053 1 1094 . 1 1 99 99 TYR HA H 1 4.295 0.013 . 1 . 967 . A 99 TYR HA . 26053 1 1095 . 1 1 99 99 TYR HB2 H 1 2.729 0.005 . 2 . 965 . A 99 TYR HB2 . 26053 1 1096 . 1 1 99 99 TYR HB3 H 1 3.030 0.003 . 2 . 966 . A 99 TYR HB3 . 26053 1 1097 . 1 1 99 99 TYR HD1 H 1 7.008 0.007 . 1 . 1113 . A 99 TYR HD1 . 26053 1 1098 . 1 1 99 99 TYR HD2 H 1 7.008 0.007 . 1 . 1113 . A 99 TYR HD2 . 26053 1 1099 . 1 1 99 99 TYR C C 13 174.737 0.012 . 1 . 266 . A 99 TYR C . 26053 1 1100 . 1 1 99 99 TYR CA C 13 59.019 0.033 . 1 . 258 . A 99 TYR CA . 26053 1 1101 . 1 1 99 99 TYR CB C 13 39.335 0.02 . 1 . 259 . A 99 TYR CB . 26053 1 1102 . 1 1 99 99 TYR N N 15 120.732 0.063 . 1 . 182 . A 99 TYR N . 26053 1 1103 . 1 1 100 100 PHE H H 1 7.148 0.005 . 1 . 121 . A 100 PHE H . 26053 1 1104 . 1 1 100 100 PHE HA H 1 5.571 0.012 . 1 . 970 . A 100 PHE HA . 26053 1 1105 . 1 1 100 100 PHE HB2 H 1 2.443 0.007 . 2 . 968 . A 100 PHE HB2 . 26053 1 1106 . 1 1 100 100 PHE HB3 H 1 2.575 0.005 . 2 . 969 . A 100 PHE HB3 . 26053 1 1107 . 1 1 100 100 PHE HD1 H 1 6.519 0.005 . 1 . 1107 . A 100 PHE HD1 . 26053 1 1108 . 1 1 100 100 PHE HD2 H 1 6.519 0.005 . 1 . 1107 . A 100 PHE HD2 . 26053 1 1109 . 1 1 100 100 PHE C C 13 173.037 0.005 . 1 . 267 . A 100 PHE C . 26053 1 1110 . 1 1 100 100 PHE CA C 13 55.197 0.044 . 1 . 257 . A 100 PHE CA . 26053 1 1111 . 1 1 100 100 PHE CB C 13 41.950 0.066 . 1 . 256 . A 100 PHE CB . 26053 1 1112 . 1 1 100 100 PHE CD1 C 13 132.005 0.0 . 1 . 1108 . A 100 PHE CD1 . 26053 1 1113 . 1 1 100 100 PHE CD2 C 13 132.005 0.0 . 1 . 1108 . A 100 PHE CD2 . 26053 1 1114 . 1 1 100 100 PHE N N 15 121.867 0.097 . 1 . 122 . A 100 PHE N . 26053 1 1115 . 1 1 101 101 VAL H H 1 8.715 0.003 . 1 . 109 . A 101 VAL H . 26053 1 1116 . 1 1 101 101 VAL HA H 1 4.342 0.011 . 1 . 972 . A 101 VAL HA . 26053 1 1117 . 1 1 101 101 VAL HB H 1 2.038 0.004 . 1 . 971 . A 101 VAL HB . 26053 1 1118 . 1 1 101 101 VAL HG11 H 1 0.905 0.011 . 2 . 973 . A 101 VAL HG11 . 26053 1 1119 . 1 1 101 101 VAL HG12 H 1 0.905 0.011 . 2 . 973 . A 101 VAL HG12 . 26053 1 1120 . 1 1 101 101 VAL HG13 H 1 0.905 0.011 . 2 . 973 . A 101 VAL HG13 . 26053 1 1121 . 1 1 101 101 VAL HG21 H 1 0.928 0.012 . 2 . 974 . A 101 VAL HG21 . 26053 1 1122 . 1 1 101 101 VAL HG22 H 1 0.928 0.012 . 2 . 974 . A 101 VAL HG22 . 26053 1 1123 . 1 1 101 101 VAL HG23 H 1 0.928 0.012 . 2 . 974 . A 101 VAL HG23 . 26053 1 1124 . 1 1 101 101 VAL C C 13 173.853 0.009 . 1 . 268 . A 101 VAL C . 26053 1 1125 . 1 1 101 101 VAL CA C 13 60.644 0.031 . 1 . 254 . A 101 VAL CA . 26053 1 1126 . 1 1 101 101 VAL CB C 13 34.846 0.054 . 1 . 255 . A 101 VAL CB . 26053 1 1127 . 1 1 101 101 VAL CG1 C 13 20.819 0.031 . 2 . 571 . A 101 VAL CG1 . 26053 1 1128 . 1 1 101 101 VAL CG2 C 13 20.696 0.131 . 2 . 572 . A 101 VAL CG2 . 26053 1 1129 . 1 1 101 101 VAL N N 15 116.734 0.075 . 1 . 110 . A 101 VAL N . 26053 1 1130 . 1 1 102 102 GLY H H 1 8.369 0.005 . 1 . 5 . A 102 GLY H . 26053 1 1131 . 1 1 102 102 GLY HA2 H 1 4.000 0.006 . 2 . 975 . A 102 GLY HA2 . 26053 1 1132 . 1 1 102 102 GLY HA3 H 1 4.738 0.004 . 2 . 976 . A 102 GLY HA3 . 26053 1 1133 . 1 1 102 102 GLY C C 13 173.334 0.006 . 1 . 263 . A 102 GLY C . 26053 1 1134 . 1 1 102 102 GLY CA C 13 44.655 0.061 . 1 . 275 . A 102 GLY CA . 26053 1 1135 . 1 1 102 102 GLY N N 15 113.200 0.084 . 1 . 6 . A 102 GLY N . 26053 1 1136 . 1 1 103 103 ASN H H 1 8.885 0.006 . 1 . 473 . A 103 ASN H . 26053 1 1137 . 1 1 103 103 ASN HA H 1 5.018 0.006 . 1 . 977 . A 103 ASN HA . 26053 1 1138 . 1 1 103 103 ASN HB2 H 1 2.806 0.006 . 2 . 978 . A 103 ASN HB2 . 26053 1 1139 . 1 1 103 103 ASN HB3 H 1 2.905 0.012 . 2 . 979 . A 103 ASN HB3 . 26053 1 1140 . 1 1 103 103 ASN HD21 H 1 7.286 0.008 . 1 . 1039 . A 103 ASN HD21 . 26053 1 1141 . 1 1 103 103 ASN HD22 H 1 7.826 0.003 . 1 . 1041 . A 103 ASN HD22 . 26053 1 1142 . 1 1 103 103 ASN C C 13 175.932 0.1 . 1 . 494 . A 103 ASN C . 26053 1 1143 . 1 1 103 103 ASN CA C 13 53.165 0.027 . 1 . 496 . A 103 ASN CA . 26053 1 1144 . 1 1 103 103 ASN CB C 13 39.388 0.031 . 1 . 495 . A 103 ASN CB . 26053 1 1145 . 1 1 103 103 ASN N N 15 119.961 0.071 . 1 . 474 . A 103 ASN N . 26053 1 1146 . 1 1 103 103 ASN ND2 N 15 113.470 0.041 . 1 . 1040 . A 103 ASN ND2 . 26053 1 1147 . 1 1 104 104 GLY C C 13 174.223 0.011 . 1 . 590 . A 104 GLY C . 26053 1 1148 . 1 1 104 104 GLY CA C 13 45.629 0.023 . 1 . 492 . A 104 GLY CA . 26053 1 1149 . 1 1 105 105 ALA H H 1 8.342 0.003 . 1 . 211 . A 105 ALA H . 26053 1 1150 . 1 1 105 105 ALA C C 13 178.022 0.015 . 1 . 490 . A 105 ALA C . 26053 1 1151 . 1 1 105 105 ALA CA C 13 52.534 0.112 . 1 . 488 . A 105 ALA CA . 26053 1 1152 . 1 1 105 105 ALA CB C 13 19.349 0.08 . 1 . 489 . A 105 ALA CB . 26053 1 1153 . 1 1 105 105 ALA N N 15 123.471 0.102 . 1 . 212 . A 105 ALA N . 26053 1 1154 . 1 1 106 106 GLY H H 1 8.250 0.004 . 1 . 471 . A 106 GLY H . 26053 1 1155 . 1 1 106 106 GLY C C 13 173.443 0.1 . 1 . 491 . A 106 GLY C . 26053 1 1156 . 1 1 106 106 GLY CA C 13 45.317 0.1 . 1 . 493 . A 106 GLY CA . 26053 1 1157 . 1 1 106 106 GLY N N 15 107.698 0.115 . 1 . 472 . A 106 GLY N . 26053 1 1158 . 1 1 108 108 ALA HA H 1 4.319 0.003 . 1 . 981 . A 108 ALA HA . 26053 1 1159 . 1 1 108 108 ALA HB1 H 1 1.340 0.008 . 1 . 980 . A 108 ALA HB1 . 26053 1 1160 . 1 1 108 108 ALA HB2 H 1 1.340 0.008 . 1 . 980 . A 108 ALA HB2 . 26053 1 1161 . 1 1 108 108 ALA HB3 H 1 1.340 0.008 . 1 . 980 . A 108 ALA HB3 . 26053 1 1162 . 1 1 108 108 ALA C C 13 177.267 0.003 . 1 . 591 . A 108 ALA C . 26053 1 1163 . 1 1 108 108 ALA CA C 13 52.616 0.025 . 1 . 573 . A 108 ALA CA . 26053 1 1164 . 1 1 108 108 ALA CB C 13 19.188 0.012 . 1 . 574 . A 108 ALA CB . 26053 1 1165 . 1 1 109 109 ASP H H 1 8.476 0.006 . 1 . 145 . A 109 ASP H . 26053 1 1166 . 1 1 109 109 ASP HA H 1 4.616 0.017 . 1 . 982 . A 109 ASP HA . 26053 1 1167 . 1 1 109 109 ASP HB2 H 1 2.579 0.008 . 2 . 1119 . A 109 ASP HB2 . 26053 1 1168 . 1 1 109 109 ASP HB3 H 1 2.719 0.004 . 2 . 1120 . A 109 ASP HB3 . 26053 1 1169 . 1 1 109 109 ASP C C 13 175.945 0.019 . 1 . 436 . A 109 ASP C . 26053 1 1170 . 1 1 109 109 ASP CA C 13 54.465 0.088 . 1 . 435 . A 109 ASP CA . 26053 1 1171 . 1 1 109 109 ASP CB C 13 41.470 0.076 . 1 . 434 . A 109 ASP CB . 26053 1 1172 . 1 1 109 109 ASP N N 15 119.584 0.092 . 1 . 146 . A 109 ASP N . 26053 1 1173 . 1 1 110 110 ASP H H 1 8.198 0.006 . 1 . 151 . A 110 ASP H . 26053 1 1174 . 1 1 110 110 ASP HA H 1 4.589 0.006 . 1 . 987 . A 110 ASP HA . 26053 1 1175 . 1 1 110 110 ASP HB2 H 1 2.575 0.012 . 2 . 983 . A 110 ASP HB2 . 26053 1 1176 . 1 1 110 110 ASP HB3 H 1 2.712 0.014 . 2 . 984 . A 110 ASP HB3 . 26053 1 1177 . 1 1 110 110 ASP C C 13 176.192 0.023 . 1 . 437 . A 110 ASP C . 26053 1 1178 . 1 1 110 110 ASP CA C 13 54.380 0.051 . 1 . 439 . A 110 ASP CA . 26053 1 1179 . 1 1 110 110 ASP CB C 13 41.277 0.122 . 1 . 438 . A 110 ASP CB . 26053 1 1180 . 1 1 110 110 ASP N N 15 119.472 0.078 . 1 . 152 . A 110 ASP N . 26053 1 1181 . 1 1 111 111 LEU H H 1 8.032 0.002 . 1 . 49 . A 111 LEU H . 26053 1 1182 . 1 1 111 111 LEU HA H 1 4.314 0.003 . 1 . 989 . A 111 LEU HA . 26053 1 1183 . 1 1 111 111 LEU HB2 H 1 1.196 0.007 . 2 . 996 . A 111 LEU HB2 . 26053 1 1184 . 1 1 111 111 LEU HB3 H 1 1.541 0.012 . 2 . 997 . A 111 LEU HB3 . 26053 1 1185 . 1 1 111 111 LEU HG H 1 1.565 0.012 . 1 . 1001 . A 111 LEU HG . 26053 1 1186 . 1 1 111 111 LEU HD11 H 1 0.741 0.019 . 2 . 998 . A 111 LEU HD11 . 26053 1 1187 . 1 1 111 111 LEU HD12 H 1 0.741 0.019 . 2 . 998 . A 111 LEU HD12 . 26053 1 1188 . 1 1 111 111 LEU HD13 H 1 0.741 0.019 . 2 . 998 . A 111 LEU HD13 . 26053 1 1189 . 1 1 111 111 LEU HD21 H 1 0.750 0.014 . 2 . 999 . A 111 LEU HD21 . 26053 1 1190 . 1 1 111 111 LEU HD22 H 1 0.750 0.014 . 2 . 999 . A 111 LEU HD22 . 26053 1 1191 . 1 1 111 111 LEU HD23 H 1 0.750 0.014 . 2 . 999 . A 111 LEU HD23 . 26053 1 1192 . 1 1 111 111 LEU C C 13 176.440 0.009 . 1 . 991 . A 111 LEU C . 26053 1 1193 . 1 1 111 111 LEU CA C 13 55.024 0.072 . 1 . 988 . A 111 LEU CA . 26053 1 1194 . 1 1 111 111 LEU CB C 13 42.495 0.057 . 1 . 993 . A 111 LEU CB . 26053 1 1195 . 1 1 111 111 LEU CG C 13 27.151 0.025 . 1 . 1000 . A 111 LEU CG . 26053 1 1196 . 1 1 111 111 LEU CD1 C 13 23.282 0.033 . 2 . 994 . A 111 LEU CD1 . 26053 1 1197 . 1 1 111 111 LEU CD2 C 13 25.028 0.062 . 2 . 995 . A 111 LEU CD2 . 26053 1 1198 . 1 1 111 111 LEU N N 15 121.178 0.071 . 1 . 50 . A 111 LEU N . 26053 1 1199 . 1 1 112 112 ASP H H 1 8.110 0.002 . 1 . 37 . A 112 ASP H . 26053 1 1200 . 1 1 112 112 ASP HA H 1 4.420 0.003 . 1 . 1006 . A 112 ASP HA . 26053 1 1201 . 1 1 112 112 ASP HB2 H 1 2.540 0.009 . 2 . 1004 . A 112 ASP HB2 . 26053 1 1202 . 1 1 112 112 ASP HB3 H 1 2.092 0.007 . 2 . 1005 . A 112 ASP HB3 . 26053 1 1203 . 1 1 112 112 ASP C C 13 174.539 0.037 . 1 . 990 . A 112 ASP C . 26053 1 1204 . 1 1 112 112 ASP CA C 13 53.591 0.052 . 1 . 463 . A 112 ASP CA . 26053 1 1205 . 1 1 112 112 ASP CB C 13 39.971 0.036 . 1 . 462 . A 112 ASP CB . 26053 1 1206 . 1 1 112 112 ASP N N 15 119.858 0.098 . 1 . 38 . A 112 ASP N . 26053 1 1207 . 1 1 113 113 TYR H H 1 7.186 0.003 . 1 . 111 . A 113 TYR H . 26053 1 1208 . 1 1 113 113 TYR HA H 1 4.333 0.005 . 1 . 1007 . A 113 TYR HA . 26053 1 1209 . 1 1 113 113 TYR HB2 H 1 2.861 0.008 . 2 . 1008 . A 113 TYR HB2 . 26053 1 1210 . 1 1 113 113 TYR HB3 H 1 2.896 0.006 . 2 . 1009 . A 113 TYR HB3 . 26053 1 1211 . 1 1 113 113 TYR HD1 H 1 7.029 0.013 . 1 . 1114 . A 113 TYR HD1 . 26053 1 1212 . 1 1 113 113 TYR HD2 H 1 7.029 0.013 . 1 . 1114 . A 113 TYR HD2 . 26053 1 1213 . 1 1 113 113 TYR C C 13 179.611 0.1 . 1 . 992 . A 113 TYR C . 26053 1 1214 . 1 1 113 113 TYR CA C 13 58.572 0.008 . 1 . 1002 . A 113 TYR CA . 26053 1 1215 . 1 1 113 113 TYR CB C 13 39.382 0.073 . 1 . 1003 . A 113 TYR CB . 26053 1 1216 . 1 1 113 113 TYR N N 15 123.520 0.096 . 1 . 112 . A 113 TYR N . 26053 1 stop_ save_