data_26052 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26052 _Entry.Title ; Solution structure of MapZ extracellular domain first 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. . . 26052 2 Sylvie Manuse . . . . 26052 3 Megane Guinot . . . . 26052 4 Catherine Bougault . M. . . 26052 5 Christophe Grangeasse . . . . 26052 6 Jean-Pierre Simorre . . . . 26052 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' . 26052 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 1 . 26052 2 . 2 . 26052 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FtsZ . 26052 MapZ . 26052 division . 26052 peptidoglycan . 26052 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26052 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 557 26052 '15N chemical shifts' 137 26052 '1H chemical shifts' 841 26052 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' 26052 1 . . 2016-06-27 2016-05-11 original author 'original release' 26052 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26053 MapZ_SY 26052 PDB 2ND9 'BMRB Entry Tracking System' 26052 stop_ save_ ############### # Citations # ############### save_Journal_article _Citation.Sf_category citations _Citation.Sf_framecode Journal_article _Citation.Entry_ID 26052 _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 . . . . 26052 1 2 Nicolas Jean . L. . . 26052 1 3 Megane Guinot . . . . 26052 1 4 Jean-Pierre Lavergne . . . . 26052 1 5 Cedric Laguri . . . . 26052 1 6 Catherine Bougault . M. . . 26052 1 7 Michael 'Van Nieuwenhze' . S. . . 26052 1 8 Christophe Grangeasse . . . . 26052 1 9 Jean-Pierre Simorre . . . . 26052 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26052 _Assembly.ID 1 _Assembly.Name MapZ_QG _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 'not present' _Assembly.Molecular_mass 14847.4638 _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 QG' 1 $MapZ_QG A . yes native no no . . . 26052 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MapZ_QG _Entity.Sf_category entity _Entity.Sf_framecode MapZ_QG _Entity.Entry_ID 26052 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MapZ_QG _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 ; GHMQVARSTKEIETSQSTTA NQSDVDDFNTLYDAFYTNSN KTALKNSQFDKLSQLKTLLD KLEGSREHTLAKSKYDSLAT QIKAIQDVNAQFEKPAIVDG VLDTNAKAKSDAKFTDIKTG NTELDKVLDKAISLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue Q4 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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'First subdomain (Q178 - G313) of MapZ extracellular domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14847.4638 _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)' . . . . . . . . . . . . . . 26052 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 . 26052 1 2 2 HIS . 26052 1 3 3 MET . 26052 1 4 4 GLN . 26052 1 5 5 VAL . 26052 1 6 6 ALA . 26052 1 7 7 ARG . 26052 1 8 8 SER . 26052 1 9 9 THR . 26052 1 10 10 LYS . 26052 1 11 11 GLU . 26052 1 12 12 ILE . 26052 1 13 13 GLU . 26052 1 14 14 THR . 26052 1 15 15 SER . 26052 1 16 16 GLN . 26052 1 17 17 SER . 26052 1 18 18 THR . 26052 1 19 19 THR . 26052 1 20 20 ALA . 26052 1 21 21 ASN . 26052 1 22 22 GLN . 26052 1 23 23 SER . 26052 1 24 24 ASP . 26052 1 25 25 VAL . 26052 1 26 26 ASP . 26052 1 27 27 ASP . 26052 1 28 28 PHE . 26052 1 29 29 ASN . 26052 1 30 30 THR . 26052 1 31 31 LEU . 26052 1 32 32 TYR . 26052 1 33 33 ASP . 26052 1 34 34 ALA . 26052 1 35 35 PHE . 26052 1 36 36 TYR . 26052 1 37 37 THR . 26052 1 38 38 ASN . 26052 1 39 39 SER . 26052 1 40 40 ASN . 26052 1 41 41 LYS . 26052 1 42 42 THR . 26052 1 43 43 ALA . 26052 1 44 44 LEU . 26052 1 45 45 LYS . 26052 1 46 46 ASN . 26052 1 47 47 SER . 26052 1 48 48 GLN . 26052 1 49 49 PHE . 26052 1 50 50 ASP . 26052 1 51 51 LYS . 26052 1 52 52 LEU . 26052 1 53 53 SER . 26052 1 54 54 GLN . 26052 1 55 55 LEU . 26052 1 56 56 LYS . 26052 1 57 57 THR . 26052 1 58 58 LEU . 26052 1 59 59 LEU . 26052 1 60 60 ASP . 26052 1 61 61 LYS . 26052 1 62 62 LEU . 26052 1 63 63 GLU . 26052 1 64 64 GLY . 26052 1 65 65 SER . 26052 1 66 66 ARG . 26052 1 67 67 GLU . 26052 1 68 68 HIS . 26052 1 69 69 THR . 26052 1 70 70 LEU . 26052 1 71 71 ALA . 26052 1 72 72 LYS . 26052 1 73 73 SER . 26052 1 74 74 LYS . 26052 1 75 75 TYR . 26052 1 76 76 ASP . 26052 1 77 77 SER . 26052 1 78 78 LEU . 26052 1 79 79 ALA . 26052 1 80 80 THR . 26052 1 81 81 GLN . 26052 1 82 82 ILE . 26052 1 83 83 LYS . 26052 1 84 84 ALA . 26052 1 85 85 ILE . 26052 1 86 86 GLN . 26052 1 87 87 ASP . 26052 1 88 88 VAL . 26052 1 89 89 ASN . 26052 1 90 90 ALA . 26052 1 91 91 GLN . 26052 1 92 92 PHE . 26052 1 93 93 GLU . 26052 1 94 94 LYS . 26052 1 95 95 PRO . 26052 1 96 96 ALA . 26052 1 97 97 ILE . 26052 1 98 98 VAL . 26052 1 99 99 ASP . 26052 1 100 100 GLY . 26052 1 101 101 VAL . 26052 1 102 102 LEU . 26052 1 103 103 ASP . 26052 1 104 104 THR . 26052 1 105 105 ASN . 26052 1 106 106 ALA . 26052 1 107 107 LYS . 26052 1 108 108 ALA . 26052 1 109 109 LYS . 26052 1 110 110 SER . 26052 1 111 111 ASP . 26052 1 112 112 ALA . 26052 1 113 113 LYS . 26052 1 114 114 PHE . 26052 1 115 115 THR . 26052 1 116 116 ASP . 26052 1 117 117 ILE . 26052 1 118 118 LYS . 26052 1 119 119 THR . 26052 1 120 120 GLY . 26052 1 121 121 ASN . 26052 1 122 122 THR . 26052 1 123 123 GLU . 26052 1 124 124 LEU . 26052 1 125 125 ASP . 26052 1 126 126 LYS . 26052 1 127 127 VAL . 26052 1 128 128 LEU . 26052 1 129 129 ASP . 26052 1 130 130 LYS . 26052 1 131 131 ALA . 26052 1 132 132 ILE . 26052 1 133 133 SER . 26052 1 134 134 LEU . 26052 1 135 135 GLY . 26052 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 26052 1 . HIS 2 2 26052 1 . MET 3 3 26052 1 . GLN 4 4 26052 1 . VAL 5 5 26052 1 . ALA 6 6 26052 1 . ARG 7 7 26052 1 . SER 8 8 26052 1 . THR 9 9 26052 1 . LYS 10 10 26052 1 . GLU 11 11 26052 1 . ILE 12 12 26052 1 . GLU 13 13 26052 1 . THR 14 14 26052 1 . SER 15 15 26052 1 . GLN 16 16 26052 1 . SER 17 17 26052 1 . THR 18 18 26052 1 . THR 19 19 26052 1 . ALA 20 20 26052 1 . ASN 21 21 26052 1 . GLN 22 22 26052 1 . SER 23 23 26052 1 . ASP 24 24 26052 1 . VAL 25 25 26052 1 . ASP 26 26 26052 1 . ASP 27 27 26052 1 . PHE 28 28 26052 1 . ASN 29 29 26052 1 . THR 30 30 26052 1 . LEU 31 31 26052 1 . TYR 32 32 26052 1 . ASP 33 33 26052 1 . ALA 34 34 26052 1 . PHE 35 35 26052 1 . TYR 36 36 26052 1 . THR 37 37 26052 1 . ASN 38 38 26052 1 . SER 39 39 26052 1 . ASN 40 40 26052 1 . LYS 41 41 26052 1 . THR 42 42 26052 1 . ALA 43 43 26052 1 . LEU 44 44 26052 1 . LYS 45 45 26052 1 . ASN 46 46 26052 1 . SER 47 47 26052 1 . GLN 48 48 26052 1 . PHE 49 49 26052 1 . ASP 50 50 26052 1 . LYS 51 51 26052 1 . LEU 52 52 26052 1 . SER 53 53 26052 1 . GLN 54 54 26052 1 . LEU 55 55 26052 1 . LYS 56 56 26052 1 . THR 57 57 26052 1 . LEU 58 58 26052 1 . LEU 59 59 26052 1 . ASP 60 60 26052 1 . LYS 61 61 26052 1 . LEU 62 62 26052 1 . GLU 63 63 26052 1 . GLY 64 64 26052 1 . SER 65 65 26052 1 . ARG 66 66 26052 1 . GLU 67 67 26052 1 . HIS 68 68 26052 1 . THR 69 69 26052 1 . LEU 70 70 26052 1 . ALA 71 71 26052 1 . LYS 72 72 26052 1 . SER 73 73 26052 1 . LYS 74 74 26052 1 . TYR 75 75 26052 1 . ASP 76 76 26052 1 . SER 77 77 26052 1 . LEU 78 78 26052 1 . ALA 79 79 26052 1 . THR 80 80 26052 1 . GLN 81 81 26052 1 . ILE 82 82 26052 1 . LYS 83 83 26052 1 . ALA 84 84 26052 1 . ILE 85 85 26052 1 . GLN 86 86 26052 1 . ASP 87 87 26052 1 . VAL 88 88 26052 1 . ASN 89 89 26052 1 . ALA 90 90 26052 1 . GLN 91 91 26052 1 . PHE 92 92 26052 1 . GLU 93 93 26052 1 . LYS 94 94 26052 1 . PRO 95 95 26052 1 . ALA 96 96 26052 1 . ILE 97 97 26052 1 . VAL 98 98 26052 1 . ASP 99 99 26052 1 . GLY 100 100 26052 1 . VAL 101 101 26052 1 . LEU 102 102 26052 1 . ASP 103 103 26052 1 . THR 104 104 26052 1 . ASN 105 105 26052 1 . ALA 106 106 26052 1 . LYS 107 107 26052 1 . ALA 108 108 26052 1 . LYS 109 109 26052 1 . SER 110 110 26052 1 . ASP 111 111 26052 1 . ALA 112 112 26052 1 . LYS 113 113 26052 1 . PHE 114 114 26052 1 . THR 115 115 26052 1 . ASP 116 116 26052 1 . ILE 117 117 26052 1 . LYS 118 118 26052 1 . THR 119 119 26052 1 . GLY 120 120 26052 1 . ASN 121 121 26052 1 . THR 122 122 26052 1 . GLU 123 123 26052 1 . LEU 124 124 26052 1 . ASP 125 125 26052 1 . LYS 126 126 26052 1 . VAL 127 127 26052 1 . LEU 128 128 26052 1 . ASP 129 129 26052 1 . LYS 130 130 26052 1 . ALA 131 131 26052 1 . ILE 132 132 26052 1 . SER 133 133 26052 1 . LEU 134 134 26052 1 . GLY 135 135 26052 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 26052 _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_QG . 1313 organism . 'Streptococcus pneumoniae' firmicutes . . Bacteria . Streptococcus pneumoniae R6 . . . . . . . . . . mapZ . 26052 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 26052 _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_QG . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . Plasmid . . pETPhos-MapZextra1 . . . 26052 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26052 _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_extra1 '[U-100% 13C; U-100% 15N]' . . 1 $MapZ_QG . . 2.0 . . mM . . . . 26052 1 2 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 26052 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26052 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26052 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26052 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 26052 _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 26052 1 pH 7.5 . pH 26052 1 pressure 1.0 . atm 26052 1 temperature 298 . K 26052 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 26052 _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 26052 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculation' 26052 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26052 _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' . . 26052 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Refinement 26052 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26052 _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 26052 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 26052 3 stop_ save_ save_Talos+ _Software.Sf_category software _Software.Sf_framecode Talos+ _Software.Entry_ID 26052 _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' . . 26052 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 26052 4 stop_ save_ save_Unio10 _Software.Sf_category software _Software.Sf_framecode Unio10 _Software.Entry_ID 26052 _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' . . 26052 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Peakpicking 26052 5 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 26052 _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' . . 26052 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 26052 6 stop_ save_ save_data _Method.Sf_category method _Method.Sf_framecode data _Method.Entry_ID 26052 _Method.ID 1 _Method.Derivation_type . _Method.Details data _Method.Computer_ID . _Method.Computer_label . save_ save_processing _Method.Sf_category method _Method.Sf_framecode processing _Method.Entry_ID 26052 _Method.ID 2 _Method.Derivation_type . _Method.Details processing _Method.Computer_ID . _Method.Computer_label . 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 26052 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number 950 _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26052 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number 850 _NMR_spectrometer.Field_strength 850 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 26052 _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 950 950 . . . 26052 1 2 spectrometer_2 Bruker Avance 850 850 . . . 26052 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 26052 _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 . . . . . . . . . . . . . . . . 26052 1 2 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26052 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26052 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26052 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26052 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26052 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26052 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26052 1 9 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26052 1 10 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26052 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26052 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 26052 _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 . . . . . 26052 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . 26052 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 26052 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 26052 _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' . . isotropic 26052 1 2 '3D HN(CA)CO' 1 $sample_1 isotropic 26052 1 3 '3D HNCO' 1 $sample_1 isotropic 26052 1 4 '3D HNCACB' 1 $sample_1 isotropic 26052 1 5 '3D HN(CO)CACB' 1 $sample_1 isotropic 26052 1 6 '3D C(CO)NH' 1 $sample_1 isotropic 26052 1 7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26052 1 8 '3D H(CCO)NH' 1 $sample_1 isotropic 26052 1 9 '2D 1H-13C HSQC/HMQC' 1 $sample_1 isotropic 26052 1 11 '3D 1H-13C NOESY' 1 $sample_1 isotropic 26052 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 . . 26052 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 5 5 VAL C C 13 175.572 0.005 . 1 . 737 . A 5 VAL C . 26052 1 2 . 1 1 5 5 VAL CA C 13 62.343 0.022 . 1 . 739 . A 5 VAL CA . 26052 1 3 . 1 1 5 5 VAL CB C 13 32.898 0.022 . 1 . 740 . A 5 VAL CB . 26052 1 4 . 1 1 5 5 VAL CG1 C 13 20.880 0.1 . 1 . 741 . A 5 VAL CG1 . 26052 1 5 . 1 1 6 6 ALA H H 1 8.459 0.003 . 1 . 269 . A 6 ALA H . 26052 1 6 . 1 1 6 6 ALA HA H 1 4.353 0.0 . 1 . 1306 . A 6 ALA HA . 26052 1 7 . 1 1 6 6 ALA HB1 H 1 1.384 0.01 . 1 . 1307 . A 6 ALA HB1 . 26052 1 8 . 1 1 6 6 ALA HB2 H 1 1.384 0.01 . 1 . 1307 . A 6 ALA HB2 . 26052 1 9 . 1 1 6 6 ALA HB3 H 1 1.384 0.01 . 1 . 1307 . A 6 ALA HB3 . 26052 1 10 . 1 1 6 6 ALA C C 13 176.523 0.01 . 1 . 736 . A 6 ALA C . 26052 1 11 . 1 1 6 6 ALA CA C 13 52.529 0.045 . 1 . 735 . A 6 ALA CA . 26052 1 12 . 1 1 6 6 ALA CB C 13 19.266 0.007 . 1 . 734 . A 6 ALA CB . 26052 1 13 . 1 1 6 6 ALA N N 15 128.913 0.068 . 1 . 270 . A 6 ALA N . 26052 1 14 . 1 1 7 7 ARG H H 1 7.935 0.003 . 1 . 43 . A 7 ARG H . 26052 1 15 . 1 1 7 7 ARG C C 13 180.968 0.1 . 1 . 738 . A 7 ARG C . 26052 1 16 . 1 1 7 7 ARG CA C 13 57.444 0.1 . 1 . 742 . A 7 ARG CA . 26052 1 17 . 1 1 7 7 ARG CB C 13 31.651 0.1 . 1 . 743 . A 7 ARG CB . 26052 1 18 . 1 1 7 7 ARG N N 15 126.235 0.043 . 1 . 44 . A 7 ARG N . 26052 1 19 . 1 1 9 9 THR HG21 H 1 1.219 0.01 . 1 . 1305 . A 9 THR HG21 . 26052 1 20 . 1 1 9 9 THR HG22 H 1 1.219 0.01 . 1 . 1305 . A 9 THR HG22 . 26052 1 21 . 1 1 9 9 THR HG23 H 1 1.219 0.01 . 1 . 1305 . A 9 THR HG23 . 26052 1 22 . 1 1 9 9 THR C C 13 174.487 0.012 . 1 . 755 . A 9 THR C . 26052 1 23 . 1 1 9 9 THR CA C 13 62.020 0.001 . 1 . 752 . A 9 THR CA . 26052 1 24 . 1 1 9 9 THR CB C 13 69.784 0.021 . 1 . 753 . A 9 THR CB . 26052 1 25 . 1 1 9 9 THR CG2 C 13 21.799 0.05 . 1 . 754 . A 9 THR CG2 . 26052 1 26 . 1 1 10 10 LYS H H 1 8.391 0.001 . 1 . 750 . A 10 LYS H . 26052 1 27 . 1 1 10 10 LYS HA H 1 4.314 0.0 . 1 . 1302 . A 10 LYS HA . 26052 1 28 . 1 1 10 10 LYS HB2 H 1 1.748 0.01 . 2 . 1303 . A 10 LYS HB2 . 26052 1 29 . 1 1 10 10 LYS HB3 H 1 1.824 0.01 . 2 . 1304 . A 10 LYS HB3 . 26052 1 30 . 1 1 10 10 LYS C C 13 176.486 0.017 . 1 . 721 . A 10 LYS C . 26052 1 31 . 1 1 10 10 LYS CA C 13 56.529 0.008 . 1 . 730 . A 10 LYS CA . 26052 1 32 . 1 1 10 10 LYS CB C 13 32.993 0.039 . 1 . 731 . A 10 LYS CB . 26052 1 33 . 1 1 10 10 LYS CG C 13 24.685 0.1 . 1 . 733 . A 10 LYS CG . 26052 1 34 . 1 1 10 10 LYS CD C 13 29.068 0.1 . 1 . 732 . A 10 LYS CD . 26052 1 35 . 1 1 10 10 LYS CE C 13 42.189 0.1 . 1 . 408 . A 10 LYS CE . 26052 1 36 . 1 1 10 10 LYS N N 15 123.792 0.038 . 1 . 751 . A 10 LYS N . 26052 1 37 . 1 1 11 11 GLU H H 1 8.459 0.001 . 1 . 197 . A 11 GLU H . 26052 1 38 . 1 1 11 11 GLU HA H 1 4.260 0.002 . 1 . 1301 . A 11 GLU HA . 26052 1 39 . 1 1 11 11 GLU HB2 H 1 2.032 0.005 . 1 . 1299 . A 11 GLU HB2 . 26052 1 40 . 1 1 11 11 GLU HB3 H 1 2.032 0.005 . 1 . 1407 . A 11 GLU HB3 . 26052 1 41 . 1 1 11 11 GLU C C 13 176.513 0.008 . 1 . 720 . A 11 GLU C . 26052 1 42 . 1 1 11 11 GLU CA C 13 56.876 0.057 . 1 . 728 . A 11 GLU CA . 26052 1 43 . 1 1 11 11 GLU CB C 13 30.173 0.075 . 1 . 712 . A 11 GLU CB . 26052 1 44 . 1 1 11 11 GLU CG C 13 36.238 0.1 . 1 . 729 . A 11 GLU CG . 26052 1 45 . 1 1 11 11 GLU N N 15 122.599 0.033 . 1 . 198 . A 11 GLU N . 26052 1 46 . 1 1 12 12 ILE H H 1 8.149 0.002 . 1 . 139 . A 12 ILE H . 26052 1 47 . 1 1 12 12 ILE HA H 1 4.143 0.001 . 1 . 1293 . A 12 ILE HA . 26052 1 48 . 1 1 12 12 ILE HB H 1 1.864 0.003 . 1 . 1294 . A 12 ILE HB . 26052 1 49 . 1 1 12 12 ILE HG12 H 1 1.477 0.0 . 2 . 1295 . A 12 ILE HG12 . 26052 1 50 . 1 1 12 12 ILE HG13 H 1 1.200 0.002 . 2 . 1296 . A 12 ILE HG13 . 26052 1 51 . 1 1 12 12 ILE HG21 H 1 0.903 0.003 . 1 . 1297 . A 12 ILE HG21 . 26052 1 52 . 1 1 12 12 ILE HG22 H 1 0.903 0.003 . 1 . 1297 . A 12 ILE HG22 . 26052 1 53 . 1 1 12 12 ILE HG23 H 1 0.903 0.003 . 1 . 1297 . A 12 ILE HG23 . 26052 1 54 . 1 1 12 12 ILE HD11 H 1 0.861 0.001 . 1 . 1298 . A 12 ILE HD11 . 26052 1 55 . 1 1 12 12 ILE HD12 H 1 0.861 0.001 . 1 . 1298 . A 12 ILE HD12 . 26052 1 56 . 1 1 12 12 ILE HD13 H 1 0.861 0.001 . 1 . 1298 . A 12 ILE HD13 . 26052 1 57 . 1 1 12 12 ILE C C 13 176.342 0.005 . 1 . 1287 . A 12 ILE C . 26052 1 58 . 1 1 12 12 ILE CA C 13 61.329 0.024 . 1 . 714 . A 12 ILE CA . 26052 1 59 . 1 1 12 12 ILE CB C 13 38.840 0.029 . 1 . 713 . A 12 ILE CB . 26052 1 60 . 1 1 12 12 ILE CG1 C 13 27.378 0.033 . 1 . 725 . A 12 ILE CG1 . 26052 1 61 . 1 1 12 12 ILE CG2 C 13 17.542 0.083 . 1 . 726 . A 12 ILE CG2 . 26052 1 62 . 1 1 12 12 ILE CD1 C 13 12.977 0.094 . 1 . 727 . A 12 ILE CD1 . 26052 1 63 . 1 1 12 12 ILE N N 15 121.433 0.058 . 1 . 140 . A 12 ILE N . 26052 1 64 . 1 1 13 13 GLU H H 1 8.494 0.002 . 1 . 211 . A 13 GLU H . 26052 1 65 . 1 1 13 13 GLU HA H 1 4.366 0.004 . 1 . 1288 . A 13 GLU HA . 26052 1 66 . 1 1 13 13 GLU HB2 H 1 2.072 0.006 . 2 . 1289 . A 13 GLU HB2 . 26052 1 67 . 1 1 13 13 GLU HB3 H 1 1.984 0.003 . 2 . 1290 . A 13 GLU HB3 . 26052 1 68 . 1 1 13 13 GLU HG2 H 1 2.263 0.001 . 2 . 1291 . A 13 GLU HG2 . 26052 1 69 . 1 1 13 13 GLU HG3 H 1 2.303 0.003 . 2 . 1292 . A 13 GLU HG3 . 26052 1 70 . 1 1 13 13 GLU C C 13 176.803 0.006 . 1 . 718 . A 13 GLU C . 26052 1 71 . 1 1 13 13 GLU CA C 13 56.719 0.031 . 1 . 715 . A 13 GLU CA . 26052 1 72 . 1 1 13 13 GLU CB C 13 30.424 0.05 . 1 . 716 . A 13 GLU CB . 26052 1 73 . 1 1 13 13 GLU CG C 13 36.422 0.061 . 1 . 724 . A 13 GLU CG . 26052 1 74 . 1 1 13 13 GLU N N 15 125.058 0.052 . 1 . 212 . A 13 GLU N . 26052 1 75 . 1 1 14 14 THR H H 1 8.252 0.002 . 1 . 93 . A 14 THR H . 26052 1 76 . 1 1 14 14 THR HA H 1 4.374 0.004 . 1 . 1284 . A 14 THR HA . 26052 1 77 . 1 1 14 14 THR HB H 1 4.261 0.001 . 1 . 1285 . A 14 THR HB . 26052 1 78 . 1 1 14 14 THR C C 13 174.772 0.1 . 1 . 717 . A 14 THR C . 26052 1 79 . 1 1 14 14 THR CA C 13 61.968 0.011 . 1 . 723 . A 14 THR CA . 26052 1 80 . 1 1 14 14 THR CB C 13 69.870 0.006 . 1 . 722 . A 14 THR CB . 26052 1 81 . 1 1 14 14 THR N N 15 115.408 0.096 . 1 . 94 . A 14 THR N . 26052 1 82 . 1 1 16 16 GLN HA H 1 4.415 0.0 . 1 . 1283 . A 16 GLN HA . 26052 1 83 . 1 1 16 16 GLN HB2 H 1 2.161 0.0 . 2 . 1281 . A 16 GLN HB2 . 26052 1 84 . 1 1 16 16 GLN HB3 H 1 1.993 0.0 . 2 . 1282 . A 16 GLN HB3 . 26052 1 85 . 1 1 16 16 GLN HG2 H 1 2.383 0.0 . 1 . 1279 . A 16 GLN HG2 . 26052 1 86 . 1 1 16 16 GLN HG3 H 1 2.383 0.0 . 1 . 1280 . A 16 GLN HG3 . 26052 1 87 . 1 1 16 16 GLN C C 13 176.038 0.1 . 1 . 749 . A 16 GLN C . 26052 1 88 . 1 1 16 16 GLN CA C 13 55.859 0.061 . 1 . 747 . A 16 GLN CA . 26052 1 89 . 1 1 16 16 GLN CB C 13 29.479 0.04 . 1 . 746 . A 16 GLN CB . 26052 1 90 . 1 1 16 16 GLN CG C 13 33.826 0.037 . 1 . 748 . A 16 GLN CG . 26052 1 91 . 1 1 17 17 SER H H 1 8.351 0.004 . 1 . 219 . A 17 SER H . 26052 1 92 . 1 1 17 17 SER HA H 1 4.560 0.001 . 1 . 1276 . A 17 SER HA . 26052 1 93 . 1 1 17 17 SER HB2 H 1 3.885 0.001 . 1 . 1277 . A 17 SER HB2 . 26052 1 94 . 1 1 17 17 SER HB3 H 1 3.885 0.001 . 1 . 1278 . A 17 SER HB3 . 26052 1 95 . 1 1 17 17 SER C C 13 174.653 0.013 . 1 . 544 . A 17 SER C . 26052 1 96 . 1 1 17 17 SER CA C 13 58.486 0.03 . 1 . 744 . A 17 SER CA . 26052 1 97 . 1 1 17 17 SER CB C 13 63.979 0.042 . 1 . 745 . A 17 SER CB . 26052 1 98 . 1 1 17 17 SER N N 15 116.813 0.08 . 1 . 220 . A 17 SER N . 26052 1 99 . 1 1 18 18 THR H H 1 8.235 0.001 . 1 . 85 . A 18 THR H . 26052 1 100 . 1 1 18 18 THR HA H 1 4.504 0.003 . 1 . 1273 . A 18 THR HA . 26052 1 101 . 1 1 18 18 THR HB H 1 4.297 0.001 . 1 . 1274 . A 18 THR HB . 26052 1 102 . 1 1 18 18 THR HG21 H 1 1.216 0.0 . 1 . 1275 . A 18 THR HG21 . 26052 1 103 . 1 1 18 18 THR HG22 H 1 1.216 0.0 . 1 . 1275 . A 18 THR HG22 . 26052 1 104 . 1 1 18 18 THR HG23 H 1 1.216 0.0 . 1 . 1275 . A 18 THR HG23 . 26052 1 105 . 1 1 18 18 THR C C 13 174.356 0.023 . 1 . 539 . A 18 THR C . 26052 1 106 . 1 1 18 18 THR CA C 13 61.721 0.02 . 1 . 542 . A 18 THR CA . 26052 1 107 . 1 1 18 18 THR CB C 13 70.000 0.04 . 1 . 543 . A 18 THR CB . 26052 1 108 . 1 1 18 18 THR CG2 C 13 21.653 0.081 . 1 . 541 . A 18 THR CG2 . 26052 1 109 . 1 1 18 18 THR N N 15 116.013 0.04 . 1 . 86 . A 18 THR N . 26052 1 110 . 1 1 19 19 THR H H 1 8.300 0.001 . 1 . 39 . A 19 THR H . 26052 1 111 . 1 1 19 19 THR HA H 1 4.590 0.002 . 1 . 1271 . A 19 THR HA . 26052 1 112 . 1 1 19 19 THR HB H 1 4.200 0.003 . 1 . 1272 . A 19 THR HB . 26052 1 113 . 1 1 19 19 THR HG21 H 1 1.286 0.01 . 1 . 1270 . A 19 THR HG21 . 26052 1 114 . 1 1 19 19 THR HG22 H 1 1.286 0.01 . 1 . 1270 . A 19 THR HG22 . 26052 1 115 . 1 1 19 19 THR HG23 H 1 1.286 0.01 . 1 . 1270 . A 19 THR HG23 . 26052 1 116 . 1 1 19 19 THR C C 13 174.531 0.011 . 1 . 536 . A 19 THR C . 26052 1 117 . 1 1 19 19 THR CA C 13 61.689 0.019 . 1 . 537 . A 19 THR CA . 26052 1 118 . 1 1 19 19 THR CB C 13 70.123 0.029 . 1 . 538 . A 19 THR CB . 26052 1 119 . 1 1 19 19 THR CG2 C 13 21.778 0.045 . 1 . 540 . A 19 THR CG2 . 26052 1 120 . 1 1 19 19 THR N N 15 117.686 0.033 . 1 . 40 . A 19 THR N . 26052 1 121 . 1 1 20 20 ALA H H 1 8.883 0.003 . 1 . 99 . A 20 ALA H . 26052 1 122 . 1 1 20 20 ALA HA H 1 4.299 0.004 . 1 . 1269 . A 20 ALA HA . 26052 1 123 . 1 1 20 20 ALA HB1 H 1 1.379 0.002 . 1 . 1268 . A 20 ALA HB1 . 26052 1 124 . 1 1 20 20 ALA HB2 H 1 1.379 0.002 . 1 . 1268 . A 20 ALA HB2 . 26052 1 125 . 1 1 20 20 ALA HB3 H 1 1.379 0.002 . 1 . 1268 . A 20 ALA HB3 . 26052 1 126 . 1 1 20 20 ALA C C 13 177.675 0.009 . 1 . 533 . A 20 ALA C . 26052 1 127 . 1 1 20 20 ALA CA C 13 52.297 0.055 . 1 . 535 . A 20 ALA CA . 26052 1 128 . 1 1 20 20 ALA CB C 13 19.567 0.088 . 1 . 534 . A 20 ALA CB . 26052 1 129 . 1 1 20 20 ALA N N 15 128.592 0.077 . 1 . 100 . A 20 ALA N . 26052 1 130 . 1 1 21 21 ASN H H 1 8.873 0.002 . 1 . 77 . A 21 ASN H . 26052 1 131 . 1 1 21 21 ASN HA H 1 4.672 0.01 . 1 . 1267 . A 21 ASN HA . 26052 1 132 . 1 1 21 21 ASN HB2 H 1 2.865 0.002 . 2 . 1265 . A 21 ASN HB2 . 26052 1 133 . 1 1 21 21 ASN HB3 H 1 2.865 0.002 . 2 . 1266 . A 21 ASN HB3 . 26052 1 134 . 1 1 21 21 ASN HD21 H 1 7.668 0.01 . 1 . 1382 . A 21 ASN HD21 . 26052 1 135 . 1 1 21 21 ASN HD22 H 1 6.985 0.01 . 1 . 1383 . A 21 ASN HD22 . 26052 1 136 . 1 1 21 21 ASN C C 13 176.570 0.012 . 1 . 532 . A 21 ASN C . 26052 1 137 . 1 1 21 21 ASN CA C 13 53.210 0.099 . 1 . 527 . A 21 ASN CA . 26052 1 138 . 1 1 21 21 ASN CB C 13 38.598 0.055 . 1 . 528 . A 21 ASN CB . 26052 1 139 . 1 1 21 21 ASN N N 15 119.698 0.082 . 1 . 78 . A 21 ASN N . 26052 1 140 . 1 1 21 21 ASN ND2 N 15 113.155 0.02 . 1 . 1381 . A 21 ASN ND2 . 26052 1 141 . 1 1 22 22 GLN H H 1 8.773 0.002 . 1 . 91 . A 22 GLN H . 26052 1 142 . 1 1 22 22 GLN HA H 1 3.887 0.002 . 1 . 1260 . A 22 GLN HA . 26052 1 143 . 1 1 22 22 GLN HB2 H 1 2.233 0.003 . 2 . 1263 . A 22 GLN HB2 . 26052 1 144 . 1 1 22 22 GLN HB3 H 1 2.043 0.001 . 2 . 1264 . A 22 GLN HB3 . 26052 1 145 . 1 1 22 22 GLN HG2 H 1 2.441 0.01 . 2 . 1261 . A 22 GLN HG2 . 26052 1 146 . 1 1 22 22 GLN HG3 H 1 2.451 0.01 . 2 . 1262 . A 22 GLN HG3 . 26052 1 147 . 1 1 22 22 GLN HE21 H 1 6.845 0.01 . 1 . 1384 . A 22 GLN HE21 . 26052 1 148 . 1 1 22 22 GLN HE22 H 1 7.889 0.01 . 1 . 1386 . A 22 GLN HE22 . 26052 1 149 . 1 1 22 22 GLN C C 13 177.280 0.011 . 1 . 531 . A 22 GLN C . 26052 1 150 . 1 1 22 22 GLN CA C 13 58.344 0.044 . 1 . 525 . A 22 GLN CA . 26052 1 151 . 1 1 22 22 GLN CB C 13 28.453 0.031 . 1 . 526 . A 22 GLN CB . 26052 1 152 . 1 1 22 22 GLN CG C 13 33.427 0.012 . 1 . 529 . A 22 GLN CG . 26052 1 153 . 1 1 22 22 GLN N N 15 125.441 0.061 . 1 . 92 . A 22 GLN N . 26052 1 154 . 1 1 22 22 GLN NE2 N 15 114.587 0.001 . 1 . 1385 . A 22 GLN NE2 . 26052 1 155 . 1 1 23 23 SER H H 1 8.565 0.001 . 1 . 9 . A 23 SER H . 26052 1 156 . 1 1 23 23 SER HA H 1 4.307 0.002 . 1 . 1258 . A 23 SER HA . 26052 1 157 . 1 1 23 23 SER HB2 H 1 3.965 0.01 . 1 . 1259 . A 23 SER HB2 . 26052 1 158 . 1 1 23 23 SER C C 13 175.896 0.015 . 1 . 530 . A 23 SER C . 26052 1 159 . 1 1 23 23 SER CA C 13 61.229 0.062 . 1 . 546 . A 23 SER CA . 26052 1 160 . 1 1 23 23 SER CB C 13 62.640 0.08 . 1 . 545 . A 23 SER CB . 26052 1 161 . 1 1 23 23 SER N N 15 113.862 0.019 . 1 . 10 . A 23 SER N . 26052 1 162 . 1 1 24 24 ASP H H 1 7.518 0.004 . 1 . 239 . A 24 ASP H . 26052 1 163 . 1 1 24 24 ASP HA H 1 4.475 0.002 . 1 . 1257 . A 24 ASP HA . 26052 1 164 . 1 1 24 24 ASP HB2 H 1 2.724 0.006 . 2 . 1255 . A 24 ASP HB2 . 26052 1 165 . 1 1 24 24 ASP HB3 H 1 2.800 0.001 . 2 . 1256 . A 24 ASP HB3 . 26052 1 166 . 1 1 24 24 ASP C C 13 179.050 0.01 . 1 . 547 . A 24 ASP C . 26052 1 167 . 1 1 24 24 ASP CA C 13 57.519 0.022 . 1 . 549 . A 24 ASP CA . 26052 1 168 . 1 1 24 24 ASP CB C 13 40.502 0.023 . 1 . 548 . A 24 ASP CB . 26052 1 169 . 1 1 24 24 ASP N N 15 121.385 0.074 . 1 . 240 . A 24 ASP N . 26052 1 170 . 1 1 25 25 VAL H H 1 7.629 0.003 . 1 . 215 . A 25 VAL H . 26052 1 171 . 1 1 25 25 VAL HA H 1 3.558 0.002 . 1 . 1254 . A 25 VAL HA . 26052 1 172 . 1 1 25 25 VAL HB H 1 2.206 0.001 . 1 . 1253 . A 25 VAL HB . 26052 1 173 . 1 1 25 25 VAL HG11 H 1 0.903 0.0 . 2 . 1251 . A 25 VAL HG11 . 26052 1 174 . 1 1 25 25 VAL HG12 H 1 0.903 0.0 . 2 . 1251 . A 25 VAL HG12 . 26052 1 175 . 1 1 25 25 VAL HG13 H 1 0.903 0.0 . 2 . 1251 . A 25 VAL HG13 . 26052 1 176 . 1 1 25 25 VAL HG21 H 1 0.973 0.0 . 2 . 1252 . A 25 VAL HG21 . 26052 1 177 . 1 1 25 25 VAL HG22 H 1 0.973 0.0 . 2 . 1252 . A 25 VAL HG22 . 26052 1 178 . 1 1 25 25 VAL HG23 H 1 0.973 0.0 . 2 . 1252 . A 25 VAL HG23 . 26052 1 179 . 1 1 25 25 VAL C C 13 177.453 0.015 . 1 . 550 . A 25 VAL C . 26052 1 180 . 1 1 25 25 VAL CA C 13 66.506 0.019 . 1 . 551 . A 25 VAL CA . 26052 1 181 . 1 1 25 25 VAL CB C 13 31.928 0.012 . 1 . 552 . A 25 VAL CB . 26052 1 182 . 1 1 25 25 VAL CG1 C 13 22.988 0.064 . 2 . 553 . A 25 VAL CG1 . 26052 1 183 . 1 1 25 25 VAL CG2 C 13 21.210 0.007 . 2 . 554 . A 25 VAL CG2 . 26052 1 184 . 1 1 25 25 VAL N N 15 122.519 0.052 . 1 . 216 . A 25 VAL N . 26052 1 185 . 1 1 26 26 ASP H H 1 8.589 0.002 . 1 . 5 . A 26 ASP H . 26052 1 186 . 1 1 26 26 ASP HA H 1 4.527 0.002 . 1 . 1249 . A 26 ASP HA . 26052 1 187 . 1 1 26 26 ASP HB2 H 1 2.803 0.001 . 1 . 1250 . A 26 ASP HB2 . 26052 1 188 . 1 1 26 26 ASP C C 13 179.385 0.016 . 1 . 559 . A 26 ASP C . 26052 1 189 . 1 1 26 26 ASP CA C 13 57.585 0.055 . 1 . 556 . A 26 ASP CA . 26052 1 190 . 1 1 26 26 ASP CB C 13 39.995 0.027 . 1 . 555 . A 26 ASP CB . 26052 1 191 . 1 1 26 26 ASP N N 15 120.706 0.103 . 1 . 6 . A 26 ASP N . 26052 1 192 . 1 1 27 27 ASP H H 1 8.588 0.001 . 1 . 193 . A 27 ASP H . 26052 1 193 . 1 1 27 27 ASP HA H 1 4.440 0.0 . 1 . 1246 . A 27 ASP HA . 26052 1 194 . 1 1 27 27 ASP HB2 H 1 2.921 0.001 . 2 . 1247 . A 27 ASP HB2 . 26052 1 195 . 1 1 27 27 ASP HB3 H 1 2.688 0.001 . 2 . 1248 . A 27 ASP HB3 . 26052 1 196 . 1 1 27 27 ASP C C 13 179.017 0.01 . 1 . 560 . A 27 ASP C . 26052 1 197 . 1 1 27 27 ASP CA C 13 57.660 0.045 . 1 . 567 . A 27 ASP CA . 26052 1 198 . 1 1 27 27 ASP CB C 13 40.006 0.011 . 1 . 566 . A 27 ASP CB . 26052 1 199 . 1 1 27 27 ASP N N 15 121.149 0.074 . 1 . 194 . A 27 ASP N . 26052 1 200 . 1 1 28 28 PHE H H 1 7.950 0.004 . 1 . 155 . A 28 PHE H . 26052 1 201 . 1 1 28 28 PHE HA H 1 3.979 0.009 . 1 . 1245 . A 28 PHE HA . 26052 1 202 . 1 1 28 28 PHE HB2 H 1 3.499 0.004 . 2 . 1215 . A 28 PHE HB2 . 26052 1 203 . 1 1 28 28 PHE HB3 H 1 2.914 0.001 . 2 . 1216 . A 28 PHE HB3 . 26052 1 204 . 1 1 28 28 PHE HD1 H 1 7.196 0.01 . 1 . 1342 . A 28 PHE HD1 . 26052 1 205 . 1 1 28 28 PHE HD2 H 1 7.196 0.01 . 1 . 1342 . A 28 PHE HD2 . 26052 1 206 . 1 1 28 28 PHE HE1 H 1 7.057 0.01 . 1 . 1345 . A 28 PHE HE1 . 26052 1 207 . 1 1 28 28 PHE HE2 H 1 7.057 0.01 . 1 . 1345 . A 28 PHE HE2 . 26052 1 208 . 1 1 28 28 PHE HZ H 1 7.232 0.01 . 1 . 1346 . A 28 PHE HZ . 26052 1 209 . 1 1 28 28 PHE C C 13 175.734 0.014 . 1 . 561 . A 28 PHE C . 26052 1 210 . 1 1 28 28 PHE CA C 13 62.595 0.091 . 1 . 558 . A 28 PHE CA . 26052 1 211 . 1 1 28 28 PHE CB C 13 38.969 0.024 . 1 . 557 . A 28 PHE CB . 26052 1 212 . 1 1 28 28 PHE CD1 C 13 132.351 0.1 . 1 . 1343 . A 28 PHE CD1 . 26052 1 213 . 1 1 28 28 PHE CD2 C 13 132.351 0.1 . 1 . 1343 . A 28 PHE CD2 . 26052 1 214 . 1 1 28 28 PHE CE1 C 13 130.434 0.1 . 1 . 1344 . A 28 PHE CE1 . 26052 1 215 . 1 1 28 28 PHE CE2 C 13 130.434 0.1 . 1 . 1344 . A 28 PHE CE2 . 26052 1 216 . 1 1 28 28 PHE CZ C 13 129.671 0.1 . 1 . 1347 . A 28 PHE CZ . 26052 1 217 . 1 1 28 28 PHE N N 15 121.169 0.051 . 1 . 156 . A 28 PHE N . 26052 1 218 . 1 1 29 29 ASN H H 1 8.782 0.002 . 1 . 163 . A 29 ASN H . 26052 1 219 . 1 1 29 29 ASN HA H 1 4.484 0.002 . 1 . 1244 . A 29 ASN HA . 26052 1 220 . 1 1 29 29 ASN HB2 H 1 3.052 0.001 . 1 . 1242 . A 29 ASN HB2 . 26052 1 221 . 1 1 29 29 ASN HB3 H 1 3.052 0.001 . 1 . 1243 . A 29 ASN HB3 . 26052 1 222 . 1 1 29 29 ASN HD21 H 1 7.922 0.01 . 1 . 1373 . A 29 ASN HD21 . 26052 1 223 . 1 1 29 29 ASN HD22 H 1 6.885 0.01 . 1 . 1374 . A 29 ASN HD22 . 26052 1 224 . 1 1 29 29 ASN C C 13 177.420 0.009 . 1 . 562 . A 29 ASN C . 26052 1 225 . 1 1 29 29 ASN CA C 13 56.392 0.07 . 1 . 563 . A 29 ASN CA . 26052 1 226 . 1 1 29 29 ASN CB C 13 37.940 0.049 . 1 . 564 . A 29 ASN CB . 26052 1 227 . 1 1 29 29 ASN N N 15 118.727 0.048 . 1 . 164 . A 29 ASN N . 26052 1 228 . 1 1 29 29 ASN ND2 N 15 112.182 0.0 . 1 . 1372 . A 29 ASN ND2 . 26052 1 229 . 1 1 30 30 THR H H 1 8.835 0.003 . 1 . 119 . A 30 THR H . 26052 1 230 . 1 1 30 30 THR HA H 1 4.019 0.0 . 1 . 1240 . A 30 THR HA . 26052 1 231 . 1 1 30 30 THR HB H 1 4.242 0.001 . 1 . 1241 . A 30 THR HB . 26052 1 232 . 1 1 30 30 THR HG21 H 1 1.269 0.0 . 1 . 1239 . A 30 THR HG21 . 26052 1 233 . 1 1 30 30 THR HG22 H 1 1.269 0.0 . 1 . 1239 . A 30 THR HG22 . 26052 1 234 . 1 1 30 30 THR HG23 H 1 1.269 0.0 . 1 . 1239 . A 30 THR HG23 . 26052 1 235 . 1 1 30 30 THR C C 13 176.607 0.02 . 1 . 565 . A 30 THR C . 26052 1 236 . 1 1 30 30 THR CA C 13 66.619 0.009 . 1 . 568 . A 30 THR CA . 26052 1 237 . 1 1 30 30 THR CB C 13 69.106 0.037 . 1 . 569 . A 30 THR CB . 26052 1 238 . 1 1 30 30 THR CG2 C 13 21.652 0.086 . 1 . 573 . A 30 THR CG2 . 26052 1 239 . 1 1 30 30 THR N N 15 116.651 0.032 . 1 . 120 . A 30 THR N . 26052 1 240 . 1 1 31 31 LEU H H 1 7.502 0.004 . 1 . 55 . A 31 LEU H . 26052 1 241 . 1 1 31 31 LEU HA H 1 4.280 0.001 . 1 . 1236 . A 31 LEU HA . 26052 1 242 . 1 1 31 31 LEU HB2 H 1 1.810 0.002 . 2 . 1234 . A 31 LEU HB2 . 26052 1 243 . 1 1 31 31 LEU HB3 H 1 1.478 0.001 . 2 . 1235 . A 31 LEU HB3 . 26052 1 244 . 1 1 31 31 LEU HG H 1 1.767 0.005 . 1 . 1237 . A 31 LEU HG . 26052 1 245 . 1 1 31 31 LEU C C 13 177.694 0.019 . 1 . 570 . A 31 LEU C . 26052 1 246 . 1 1 31 31 LEU CA C 13 57.671 0.017 . 1 . 571 . A 31 LEU CA . 26052 1 247 . 1 1 31 31 LEU CB C 13 40.357 0.028 . 1 . 572 . A 31 LEU CB . 26052 1 248 . 1 1 31 31 LEU CG C 13 27.640 0.05 . 1 . 577 . A 31 LEU CG . 26052 1 249 . 1 1 31 31 LEU CD1 C 13 25.618 0.1 . 2 . 578 . A 31 LEU CD1 . 26052 1 250 . 1 1 31 31 LEU CD2 C 13 22.526 0.1 . 2 . 579 . A 31 LEU CD2 . 26052 1 251 . 1 1 31 31 LEU N N 15 123.133 0.035 . 1 . 56 . A 31 LEU N . 26052 1 252 . 1 1 32 32 TYR H H 1 8.635 0.002 . 1 . 111 . A 32 TYR H . 26052 1 253 . 1 1 32 32 TYR HA H 1 4.028 0.004 . 1 . 1233 . A 32 TYR HA . 26052 1 254 . 1 1 32 32 TYR HB2 H 1 3.153 0.001 . 2 . 1231 . A 32 TYR HB2 . 26052 1 255 . 1 1 32 32 TYR HB3 H 1 2.615 0.002 . 2 . 1232 . A 32 TYR HB3 . 26052 1 256 . 1 1 32 32 TYR HD1 H 1 7.138 0.005 . 1 . 1315 . A 32 TYR HD1 . 26052 1 257 . 1 1 32 32 TYR HD2 H 1 7.138 0.005 . 1 . 1315 . A 32 TYR HD2 . 26052 1 258 . 1 1 32 32 TYR HE1 H 1 6.812 0.003 . 1 . 1313 . A 32 TYR HE1 . 26052 1 259 . 1 1 32 32 TYR HE2 H 1 6.812 0.003 . 1 . 1313 . A 32 TYR HE2 . 26052 1 260 . 1 1 32 32 TYR C C 13 177.345 0.026 . 1 . 574 . A 32 TYR C . 26052 1 261 . 1 1 32 32 TYR CA C 13 62.059 0.044 . 1 . 576 . A 32 TYR CA . 26052 1 262 . 1 1 32 32 TYR CB C 13 38.733 0.03 . 1 . 575 . A 32 TYR CB . 26052 1 263 . 1 1 32 32 TYR CD1 C 13 133.376 0.1 . 1 . 1314 . A 32 TYR CD1 . 26052 1 264 . 1 1 32 32 TYR CD2 C 13 133.376 0.1 . 1 . 1314 . A 32 TYR CD2 . 26052 1 265 . 1 1 32 32 TYR CE1 C 13 118.583 0.1 . 1 . 1312 . A 32 TYR CE1 . 26052 1 266 . 1 1 32 32 TYR CE2 C 13 118.583 0.1 . 1 . 1312 . A 32 TYR CE2 . 26052 1 267 . 1 1 32 32 TYR N N 15 119.420 0.03 . 1 . 112 . A 32 TYR N . 26052 1 268 . 1 1 33 33 ASP H H 1 8.269 0.001 . 1 . 181 . A 33 ASP H . 26052 1 269 . 1 1 33 33 ASP HA H 1 4.262 0.002 . 1 . 1230 . A 33 ASP HA . 26052 1 270 . 1 1 33 33 ASP HB2 H 1 2.869 0.003 . 2 . 1228 . A 33 ASP HB2 . 26052 1 271 . 1 1 33 33 ASP HB3 H 1 2.665 0.01 . 2 . 1229 . A 33 ASP HB3 . 26052 1 272 . 1 1 33 33 ASP C C 13 178.958 0.013 . 1 . 580 . A 33 ASP C . 26052 1 273 . 1 1 33 33 ASP CA C 13 57.513 0.044 . 1 . 582 . A 33 ASP CA . 26052 1 274 . 1 1 33 33 ASP CB C 13 40.508 0.028 . 1 . 581 . A 33 ASP CB . 26052 1 275 . 1 1 33 33 ASP N N 15 116.274 0.046 . 1 . 182 . A 33 ASP N . 26052 1 276 . 1 1 34 34 ALA H H 1 7.565 0.003 . 1 . 213 . A 34 ALA H . 26052 1 277 . 1 1 34 34 ALA HA H 1 4.330 0.001 . 1 . 1227 . A 34 ALA HA . 26052 1 278 . 1 1 34 34 ALA HB1 H 1 1.481 0.001 . 1 . 1226 . A 34 ALA HB1 . 26052 1 279 . 1 1 34 34 ALA HB2 H 1 1.481 0.001 . 1 . 1226 . A 34 ALA HB2 . 26052 1 280 . 1 1 34 34 ALA HB3 H 1 1.481 0.001 . 1 . 1226 . A 34 ALA HB3 . 26052 1 281 . 1 1 34 34 ALA C C 13 178.383 0.01 . 1 . 583 . A 34 ALA C . 26052 1 282 . 1 1 34 34 ALA CA C 13 53.118 0.088 . 1 . 584 . A 34 ALA CA . 26052 1 283 . 1 1 34 34 ALA CB C 13 18.207 0.029 . 1 . 585 . A 34 ALA CB . 26052 1 284 . 1 1 34 34 ALA N N 15 119.727 0.063 . 1 . 214 . A 34 ALA N . 26052 1 285 . 1 1 35 35 PHE H H 1 7.946 0.002 . 1 . 243 . A 35 PHE H . 26052 1 286 . 1 1 35 35 PHE HA H 1 3.873 0.002 . 1 . 1225 . A 35 PHE HA . 26052 1 287 . 1 1 35 35 PHE HB2 H 1 2.539 0.005 . 2 . 1223 . A 35 PHE HB2 . 26052 1 288 . 1 1 35 35 PHE HB3 H 1 2.842 0.002 . 2 . 1224 . A 35 PHE HB3 . 26052 1 289 . 1 1 35 35 PHE HD1 H 1 7.715 0.002 . 1 . 1325 . A 35 PHE HD1 . 26052 1 290 . 1 1 35 35 PHE HD2 H 1 7.715 0.002 . 1 . 1325 . A 35 PHE HD2 . 26052 1 291 . 1 1 35 35 PHE HE1 H 1 7.104 0.008 . 1 . 1327 . A 35 PHE HE1 . 26052 1 292 . 1 1 35 35 PHE HE2 H 1 7.104 0.008 . 1 . 1327 . A 35 PHE HE2 . 26052 1 293 . 1 1 35 35 PHE HZ H 1 6.809 0.008 . 1 . 1329 . A 35 PHE HZ . 26052 1 294 . 1 1 35 35 PHE C C 13 175.339 0.014 . 1 . 588 . A 35 PHE C . 26052 1 295 . 1 1 35 35 PHE CA C 13 61.021 0.037 . 1 . 590 . A 35 PHE CA . 26052 1 296 . 1 1 35 35 PHE CB C 13 38.998 0.028 . 1 . 589 . A 35 PHE CB . 26052 1 297 . 1 1 35 35 PHE CD1 C 13 133.167 0.1 . 1 . 1324 . A 35 PHE CD1 . 26052 1 298 . 1 1 35 35 PHE CD2 C 13 133.167 0.1 . 1 . 1324 . A 35 PHE CD2 . 26052 1 299 . 1 1 35 35 PHE CE1 C 13 131.377 0.1 . 1 . 1326 . A 35 PHE CE1 . 26052 1 300 . 1 1 35 35 PHE CE2 C 13 131.377 0.1 . 1 . 1326 . A 35 PHE CE2 . 26052 1 301 . 1 1 35 35 PHE CZ C 13 128.203 0.1 . 1 . 1328 . A 35 PHE CZ . 26052 1 302 . 1 1 35 35 PHE N N 15 115.517 0.046 . 1 . 244 . A 35 PHE N . 26052 1 303 . 1 1 36 36 TYR H H 1 7.455 0.002 . 1 . 89 . A 36 TYR H . 26052 1 304 . 1 1 36 36 TYR HA H 1 5.270 0.002 . 1 . 1222 . A 36 TYR HA . 26052 1 305 . 1 1 36 36 TYR HB2 H 1 3.474 0.004 . 2 . 1220 . A 36 TYR HB2 . 26052 1 306 . 1 1 36 36 TYR HB3 H 1 2.876 0.004 . 2 . 1221 . A 36 TYR HB3 . 26052 1 307 . 1 1 36 36 TYR HD1 H 1 6.910 0.01 . 1 . 1311 . A 36 TYR HD1 . 26052 1 308 . 1 1 36 36 TYR HD2 H 1 6.910 0.01 . 1 . 1311 . A 36 TYR HD2 . 26052 1 309 . 1 1 36 36 TYR HE1 H 1 6.250 0.002 . 1 . 1308 . A 36 TYR HE1 . 26052 1 310 . 1 1 36 36 TYR HE2 H 1 6.250 0.002 . 1 . 1308 . A 36 TYR HE2 . 26052 1 311 . 1 1 36 36 TYR C C 13 176.540 0.01 . 1 . 591 . A 36 TYR C . 26052 1 312 . 1 1 36 36 TYR CA C 13 57.509 0.02 . 1 . 593 . A 36 TYR CA . 26052 1 313 . 1 1 36 36 TYR CB C 13 41.537 0.042 . 1 . 592 . A 36 TYR CB . 26052 1 314 . 1 1 36 36 TYR CD1 C 13 133.383 0.1 . 1 . 1310 . A 36 TYR CD1 . 26052 1 315 . 1 1 36 36 TYR CD2 C 13 133.383 0.1 . 1 . 1310 . A 36 TYR CD2 . 26052 1 316 . 1 1 36 36 TYR CE1 C 13 118.697 0.1 . 1 . 1309 . A 36 TYR CE1 . 26052 1 317 . 1 1 36 36 TYR CE2 C 13 118.697 0.1 . 1 . 1309 . A 36 TYR CE2 . 26052 1 318 . 1 1 36 36 TYR N N 15 116.803 0.048 . 1 . 90 . A 36 TYR N . 26052 1 319 . 1 1 37 37 THR H H 1 8.787 0.002 . 1 . 73 . A 37 THR H . 26052 1 320 . 1 1 37 37 THR HA H 1 3.839 0.002 . 1 . 1218 . A 37 THR HA . 26052 1 321 . 1 1 37 37 THR HB H 1 4.330 0.001 . 1 . 1219 . A 37 THR HB . 26052 1 322 . 1 1 37 37 THR HG21 H 1 0.898 0.003 . 1 . 1217 . A 37 THR HG21 . 26052 1 323 . 1 1 37 37 THR HG22 H 1 0.898 0.003 . 1 . 1217 . A 37 THR HG22 . 26052 1 324 . 1 1 37 37 THR HG23 H 1 0.898 0.003 . 1 . 1217 . A 37 THR HG23 . 26052 1 325 . 1 1 37 37 THR C C 13 174.672 0.01 . 1 . 594 . A 37 THR C . 26052 1 326 . 1 1 37 37 THR CA C 13 63.845 0.026 . 1 . 595 . A 37 THR CA . 26052 1 327 . 1 1 37 37 THR CB C 13 68.557 0.073 . 1 . 596 . A 37 THR CB . 26052 1 328 . 1 1 37 37 THR CG2 C 13 22.459 0.067 . 1 . 600 . A 37 THR CG2 . 26052 1 329 . 1 1 37 37 THR N N 15 109.591 0.037 . 1 . 74 . A 37 THR N . 26052 1 330 . 1 1 38 38 ASN H H 1 7.932 0.003 . 1 . 191 . A 38 ASN H . 26052 1 331 . 1 1 38 38 ASN HB2 H 1 3.250 0.01 . 2 . 1396 . A 38 ASN HB2 . 26052 1 332 . 1 1 38 38 ASN HB3 H 1 3.297 0.01 . 2 . 1397 . A 38 ASN HB3 . 26052 1 333 . 1 1 38 38 ASN HD21 H 1 7.216 0.01 . 1 . 1394 . A 38 ASN HD21 . 26052 1 334 . 1 1 38 38 ASN HD22 H 1 7.750 0.01 . 1 . 1395 . A 38 ASN HD22 . 26052 1 335 . 1 1 38 38 ASN C C 13 177.052 0.1 . 1 . 597 . A 38 ASN C . 26052 1 336 . 1 1 38 38 ASN CA C 13 52.697 0.1 . 1 . 599 . A 38 ASN CA . 26052 1 337 . 1 1 38 38 ASN CB C 13 39.101 0.049 . 1 . 598 . A 38 ASN CB . 26052 1 338 . 1 1 38 38 ASN N N 15 114.485 0.032 . 1 . 192 . A 38 ASN N . 26052 1 339 . 1 1 38 38 ASN ND2 N 15 116.229 0.0 . 1 . 1393 . A 38 ASN ND2 . 26052 1 340 . 1 1 39 39 SER HA H 1 4.219 0.004 . 1 . 1212 . A 39 SER HA . 26052 1 341 . 1 1 39 39 SER HB2 H 1 4.017 0.0 . 2 . 1213 . A 39 SER HB2 . 26052 1 342 . 1 1 39 39 SER HB3 H 1 3.915 0.001 . 2 . 1214 . A 39 SER HB3 . 26052 1 343 . 1 1 39 39 SER C C 13 175.082 0.002 . 1 . 523 . A 39 SER C . 26052 1 344 . 1 1 39 39 SER CA C 13 60.773 0.027 . 1 . 601 . A 39 SER CA . 26052 1 345 . 1 1 39 39 SER CB C 13 62.883 0.189 . 1 . 602 . A 39 SER CB . 26052 1 346 . 1 1 40 40 ASN H H 1 8.378 0.001 . 1 . 15 . A 40 ASN H . 26052 1 347 . 1 1 40 40 ASN HA H 1 4.553 0.001 . 1 . 1209 . A 40 ASN HA . 26052 1 348 . 1 1 40 40 ASN HB2 H 1 2.899 0.001 . 2 . 1210 . A 40 ASN HB2 . 26052 1 349 . 1 1 40 40 ASN HB3 H 1 2.803 0.003 . 2 . 1211 . A 40 ASN HB3 . 26052 1 350 . 1 1 40 40 ASN HD21 H 1 7.441 0.01 . 1 . 1379 . A 40 ASN HD21 . 26052 1 351 . 1 1 40 40 ASN HD22 H 1 6.984 0.01 . 1 . 1380 . A 40 ASN HD22 . 26052 1 352 . 1 1 40 40 ASN C C 13 175.432 0.015 . 1 . 520 . A 40 ASN C . 26052 1 353 . 1 1 40 40 ASN CA C 13 54.268 0.064 . 1 . 524 . A 40 ASN CA . 26052 1 354 . 1 1 40 40 ASN CB C 13 38.227 0.013 . 1 . 522 . A 40 ASN CB . 26052 1 355 . 1 1 40 40 ASN N N 15 119.357 0.024 . 1 . 16 . A 40 ASN N . 26052 1 356 . 1 1 40 40 ASN ND2 N 15 113.008 0.006 . 1 . 1378 . A 40 ASN ND2 . 26052 1 357 . 1 1 41 41 LYS H H 1 7.712 0.003 . 1 . 263 . A 41 LYS H . 26052 1 358 . 1 1 41 41 LYS HA H 1 3.499 0.001 . 1 . 1198 . A 41 LYS HA . 26052 1 359 . 1 1 41 41 LYS HB2 H 1 0.663 0.003 . 2 . 1201 . A 41 LYS HB2 . 26052 1 360 . 1 1 41 41 LYS HB3 H 1 1.586 0.01 . 2 . 1202 . A 41 LYS HB3 . 26052 1 361 . 1 1 41 41 LYS HG2 H 1 1.054 0.004 . 2 . 1199 . A 41 LYS HG2 . 26052 1 362 . 1 1 41 41 LYS HG3 H 1 0.503 0.01 . 2 . 1200 . A 41 LYS HG3 . 26052 1 363 . 1 1 41 41 LYS HD2 H 1 1.199 0.001 . 2 . 1207 . A 41 LYS HD2 . 26052 1 364 . 1 1 41 41 LYS HD3 H 1 1.382 0.004 . 2 . 1208 . A 41 LYS HD3 . 26052 1 365 . 1 1 41 41 LYS HE2 H 1 2.760 0.002 . 2 . 1204 . A 41 LYS HE2 . 26052 1 366 . 1 1 41 41 LYS HE3 H 1 3.090 0.01 . 2 . 1205 . A 41 LYS HE3 . 26052 1 367 . 1 1 41 41 LYS C C 13 174.481 0.013 . 1 . 517 . A 41 LYS C . 26052 1 368 . 1 1 41 41 LYS CA C 13 58.222 0.038 . 1 . 518 . A 41 LYS CA . 26052 1 369 . 1 1 41 41 LYS CB C 13 28.945 0.018 . 1 . 519 . A 41 LYS CB . 26052 1 370 . 1 1 41 41 LYS CG C 13 25.032 0.059 . 1 . 521 . A 41 LYS CG . 26052 1 371 . 1 1 41 41 LYS CD C 13 28.997 0.006 . 1 . 1206 . A 41 LYS CD . 26052 1 372 . 1 1 41 41 LYS CE C 13 42.947 0.014 . 1 . 1203 . A 41 LYS CE . 26052 1 373 . 1 1 41 41 LYS N N 15 112.612 0.038 . 1 . 264 . A 41 LYS N . 26052 1 374 . 1 1 42 42 THR H H 1 7.996 0.002 . 1 . 67 . A 42 THR H . 26052 1 375 . 1 1 42 42 THR HA H 1 4.417 0.001 . 1 . 1195 . A 42 THR HA . 26052 1 376 . 1 1 42 42 THR HB H 1 4.272 0.001 . 1 . 1196 . A 42 THR HB . 26052 1 377 . 1 1 42 42 THR HG21 H 1 1.109 0.002 . 1 . 1197 . A 42 THR HG21 . 26052 1 378 . 1 1 42 42 THR HG22 H 1 1.109 0.002 . 1 . 1197 . A 42 THR HG22 . 26052 1 379 . 1 1 42 42 THR HG23 H 1 1.109 0.002 . 1 . 1197 . A 42 THR HG23 . 26052 1 380 . 1 1 42 42 THR C C 13 174.378 0.009 . 1 . 513 . A 42 THR C . 26052 1 381 . 1 1 42 42 THR CA C 13 61.843 0.016 . 1 . 515 . A 42 THR CA . 26052 1 382 . 1 1 42 42 THR CB C 13 69.813 0.061 . 1 . 514 . A 42 THR CB . 26052 1 383 . 1 1 42 42 THR CG2 C 13 22.367 0.066 . 1 . 516 . A 42 THR CG2 . 26052 1 384 . 1 1 42 42 THR N N 15 106.607 0.031 . 1 . 68 . A 42 THR N . 26052 1 385 . 1 1 43 43 ALA H H 1 8.027 0.002 . 1 . 63 . A 43 ALA H . 26052 1 386 . 1 1 43 43 ALA HA H 1 4.731 0.0 . 1 . 1194 . A 43 ALA HA . 26052 1 387 . 1 1 43 43 ALA HB1 H 1 1.302 0.001 . 1 . 1193 . A 43 ALA HB1 . 26052 1 388 . 1 1 43 43 ALA HB2 H 1 1.302 0.001 . 1 . 1193 . A 43 ALA HB2 . 26052 1 389 . 1 1 43 43 ALA HB3 H 1 1.302 0.001 . 1 . 1193 . A 43 ALA HB3 . 26052 1 390 . 1 1 43 43 ALA C C 13 175.441 0.014 . 1 . 510 . A 43 ALA C . 26052 1 391 . 1 1 43 43 ALA CA C 13 51.244 0.06 . 1 . 511 . A 43 ALA CA . 26052 1 392 . 1 1 43 43 ALA CB C 13 22.173 0.03 . 1 . 512 . A 43 ALA CB . 26052 1 393 . 1 1 43 43 ALA N N 15 122.891 0.047 . 1 . 64 . A 43 ALA N . 26052 1 394 . 1 1 44 44 LEU H H 1 9.047 0.002 . 1 . 187 . A 44 LEU H . 26052 1 395 . 1 1 44 44 LEU HA H 1 4.662 0.01 . 1 . 1190 . A 44 LEU HA . 26052 1 396 . 1 1 44 44 LEU HB2 H 1 1.604 0.0 . 2 . 1188 . A 44 LEU HB2 . 26052 1 397 . 1 1 44 44 LEU HB3 H 1 1.769 0.002 . 2 . 1189 . A 44 LEU HB3 . 26052 1 398 . 1 1 44 44 LEU HG H 1 1.364 0.001 . 1 . 1192 . A 44 LEU HG . 26052 1 399 . 1 1 44 44 LEU HD11 H 1 0.838 0.005 . 2 . 1185 . A 44 LEU HD11 . 26052 1 400 . 1 1 44 44 LEU HD12 H 1 0.838 0.005 . 2 . 1185 . A 44 LEU HD12 . 26052 1 401 . 1 1 44 44 LEU HD13 H 1 0.838 0.005 . 2 . 1185 . A 44 LEU HD13 . 26052 1 402 . 1 1 44 44 LEU HD21 H 1 0.437 0.002 . 2 . 1187 . A 44 LEU HD21 . 26052 1 403 . 1 1 44 44 LEU HD22 H 1 0.437 0.002 . 2 . 1187 . A 44 LEU HD22 . 26052 1 404 . 1 1 44 44 LEU HD23 H 1 0.437 0.002 . 2 . 1187 . A 44 LEU HD23 . 26052 1 405 . 1 1 44 44 LEU C C 13 176.773 0.018 . 1 . 504 . A 44 LEU C . 26052 1 406 . 1 1 44 44 LEU CA C 13 54.890 0.035 . 1 . 507 . A 44 LEU CA . 26052 1 407 . 1 1 44 44 LEU CB C 13 43.510 0.021 . 1 . 508 . A 44 LEU CB . 26052 1 408 . 1 1 44 44 LEU CG C 13 29.294 0.1 . 1 . 1191 . A 44 LEU CG . 26052 1 409 . 1 1 44 44 LEU CD1 C 13 25.842 0.024 . 2 . 509 . A 44 LEU CD1 . 26052 1 410 . 1 1 44 44 LEU CD2 C 13 26.200 0.002 . 2 . 1186 . A 44 LEU CD2 . 26052 1 411 . 1 1 44 44 LEU N N 15 123.658 0.044 . 1 . 188 . A 44 LEU N . 26052 1 412 . 1 1 45 45 LYS H H 1 8.347 0.012 . 1 . 129 . A 45 LYS H . 26052 1 413 . 1 1 45 45 LYS HA H 1 4.459 0.001 . 1 . 1182 . A 45 LYS HA . 26052 1 414 . 1 1 45 45 LYS HB2 H 1 1.019 0.003 . 2 . 1180 . A 45 LYS HB2 . 26052 1 415 . 1 1 45 45 LYS HB3 H 1 1.598 0.003 . 2 . 1181 . A 45 LYS HB3 . 26052 1 416 . 1 1 45 45 LYS HG2 H 1 1.205 0.002 . 2 . 1183 . A 45 LYS HG2 . 26052 1 417 . 1 1 45 45 LYS HG3 H 1 1.094 0.001 . 2 . 1184 . A 45 LYS HG3 . 26052 1 418 . 1 1 45 45 LYS C C 13 175.876 0.019 . 1 . 501 . A 45 LYS C . 26052 1 419 . 1 1 45 45 LYS CA C 13 54.418 0.053 . 1 . 502 . A 45 LYS CA . 26052 1 420 . 1 1 45 45 LYS CB C 13 33.333 0.055 . 1 . 503 . A 45 LYS CB . 26052 1 421 . 1 1 45 45 LYS CG C 13 24.783 0.031 . 1 . 506 . A 45 LYS CG . 26052 1 422 . 1 1 45 45 LYS CD C 13 29.900 0.1 . 1 . 505 . A 45 LYS CD . 26052 1 423 . 1 1 45 45 LYS N N 15 121.941 0.066 . 1 . 130 . A 45 LYS N . 26052 1 424 . 1 1 46 46 ASN H H 1 8.621 0.003 . 1 . 245 . A 46 ASN H . 26052 1 425 . 1 1 46 46 ASN HA H 1 2.040 0.002 . 1 . 1177 . A 46 ASN HA . 26052 1 426 . 1 1 46 46 ASN HB2 H 1 2.291 0.002 . 2 . 1178 . A 46 ASN HB2 . 26052 1 427 . 1 1 46 46 ASN HB3 H 1 2.501 0.002 . 2 . 1179 . A 46 ASN HB3 . 26052 1 428 . 1 1 46 46 ASN HD21 H 1 7.726 0.01 . 1 . 161 . A 46 ASN HD21 . 26052 1 429 . 1 1 46 46 ASN HD22 H 1 8.399 0.01 . 1 . 1398 . A 46 ASN HD22 . 26052 1 430 . 1 1 46 46 ASN C C 13 177.672 0.004 . 1 . 498 . A 46 ASN C . 26052 1 431 . 1 1 46 46 ASN CA C 13 55.912 0.045 . 1 . 499 . A 46 ASN CA . 26052 1 432 . 1 1 46 46 ASN CB C 13 36.052 0.054 . 1 . 500 . A 46 ASN CB . 26052 1 433 . 1 1 46 46 ASN N N 15 129.238 0.079 . 1 . 246 . A 46 ASN N . 26052 1 434 . 1 1 46 46 ASN ND2 N 15 115.402 0.005 . 1 . 162 . A 46 ASN ND2 . 26052 1 435 . 1 1 47 47 SER H H 1 9.355 0.002 . 1 . 103 . A 47 SER H . 26052 1 436 . 1 1 47 47 SER HA H 1 3.973 0.004 . 1 . 1174 . A 47 SER HA . 26052 1 437 . 1 1 47 47 SER HB2 H 1 3.746 0.01 . 1 . 1175 . A 47 SER HB2 . 26052 1 438 . 1 1 47 47 SER HB3 H 1 3.746 0.01 . 1 . 1176 . A 47 SER HB3 . 26052 1 439 . 1 1 47 47 SER C C 13 175.100 0.01 . 1 . 494 . A 47 SER C . 26052 1 440 . 1 1 47 47 SER CA C 13 60.361 0.033 . 1 . 497 . A 47 SER CA . 26052 1 441 . 1 1 47 47 SER CB C 13 62.165 0.085 . 1 . 496 . A 47 SER CB . 26052 1 442 . 1 1 47 47 SER N N 15 114.947 0.035 . 1 . 104 . A 47 SER N . 26052 1 443 . 1 1 48 48 GLN H H 1 7.589 0.002 . 1 . 157 . A 48 GLN H . 26052 1 444 . 1 1 48 48 GLN HA H 1 4.372 0.0 . 1 . 1171 . A 48 GLN HA . 26052 1 445 . 1 1 48 48 GLN HB2 H 1 1.862 0.002 . 2 . 1169 . A 48 GLN HB2 . 26052 1 446 . 1 1 48 48 GLN HB3 H 1 1.621 0.01 . 2 . 1170 . A 48 GLN HB3 . 26052 1 447 . 1 1 48 48 GLN HG2 H 1 1.536 0.002 . 2 . 1172 . A 48 GLN HG2 . 26052 1 448 . 1 1 48 48 GLN HG3 H 1 2.262 0.001 . 2 . 1173 . A 48 GLN HG3 . 26052 1 449 . 1 1 48 48 GLN HE21 H 1 6.958 0.01 . 1 . 1354 . A 48 GLN HE21 . 26052 1 450 . 1 1 48 48 GLN HE22 H 1 6.036 0.01 . 1 . 1356 . A 48 GLN HE22 . 26052 1 451 . 1 1 48 48 GLN C C 13 176.939 0.008 . 1 . 491 . A 48 GLN C . 26052 1 452 . 1 1 48 48 GLN CA C 13 54.066 0.05 . 1 . 493 . A 48 GLN CA . 26052 1 453 . 1 1 48 48 GLN CB C 13 29.907 0.072 . 1 . 492 . A 48 GLN CB . 26052 1 454 . 1 1 48 48 GLN CG C 13 32.397 0.026 . 1 . 495 . A 48 GLN CG . 26052 1 455 . 1 1 48 48 GLN N N 15 118.682 0.085 . 1 . 158 . A 48 GLN N . 26052 1 456 . 1 1 48 48 GLN NE2 N 15 109.784 0.001 . 1 . 1355 . A 48 GLN NE2 . 26052 1 457 . 1 1 49 49 PHE H H 1 7.644 0.002 . 1 . 75 . A 49 PHE H . 26052 1 458 . 1 1 49 49 PHE HA H 1 4.647 0.003 . 1 . 1168 . A 49 PHE HA . 26052 1 459 . 1 1 49 49 PHE HB2 H 1 3.384 0.001 . 2 . 1166 . A 49 PHE HB2 . 26052 1 460 . 1 1 49 49 PHE HB3 H 1 3.264 0.0 . 2 . 1167 . A 49 PHE HB3 . 26052 1 461 . 1 1 49 49 PHE HD1 H 1 7.318 0.01 . 1 . 1353 . A 49 PHE HD1 . 26052 1 462 . 1 1 49 49 PHE HD2 H 1 7.318 0.01 . 1 . 1353 . A 49 PHE HD2 . 26052 1 463 . 1 1 49 49 PHE HE1 H 1 7.256 0.01 . 1 . 1338 . A 49 PHE HE1 . 26052 1 464 . 1 1 49 49 PHE HE2 H 1 7.256 0.01 . 1 . 1338 . A 49 PHE HE2 . 26052 1 465 . 1 1 49 49 PHE HZ H 1 7.021 0.01 . 1 . 1341 . A 49 PHE HZ . 26052 1 466 . 1 1 49 49 PHE C C 13 178.281 0.009 . 1 . 488 . A 49 PHE C . 26052 1 467 . 1 1 49 49 PHE CA C 13 58.209 0.028 . 1 . 490 . A 49 PHE CA . 26052 1 468 . 1 1 49 49 PHE CB C 13 36.896 0.008 . 1 . 489 . A 49 PHE CB . 26052 1 469 . 1 1 49 49 PHE CD1 C 13 130.563 0.1 . 1 . 1352 . A 49 PHE CD1 . 26052 1 470 . 1 1 49 49 PHE CD2 C 13 130.563 0.1 . 1 . 1352 . A 49 PHE CD2 . 26052 1 471 . 1 1 49 49 PHE CE1 C 13 131.250 0.1 . 1 . 1339 . A 49 PHE CE1 . 26052 1 472 . 1 1 49 49 PHE CE2 C 13 131.250 0.1 . 1 . 1339 . A 49 PHE CE2 . 26052 1 473 . 1 1 49 49 PHE CZ C 13 128.371 0.1 . 1 . 1340 . A 49 PHE CZ . 26052 1 474 . 1 1 49 49 PHE N N 15 117.557 0.055 . 1 . 76 . A 49 PHE N . 26052 1 475 . 1 1 50 50 ASP H H 1 8.558 0.001 . 1 . 19 . A 50 ASP H . 26052 1 476 . 1 1 50 50 ASP HA H 1 4.662 0.002 . 1 . 1163 . A 50 ASP HA . 26052 1 477 . 1 1 50 50 ASP HB2 H 1 2.887 0.001 . 2 . 1164 . A 50 ASP HB2 . 26052 1 478 . 1 1 50 50 ASP HB3 H 1 2.782 0.002 . 2 . 1165 . A 50 ASP HB3 . 26052 1 479 . 1 1 50 50 ASP C C 13 177.481 0.031 . 1 . 482 . A 50 ASP C . 26052 1 480 . 1 1 50 50 ASP CA C 13 55.600 0.037 . 1 . 487 . A 50 ASP CA . 26052 1 481 . 1 1 50 50 ASP CB C 13 39.772 0.063 . 1 . 486 . A 50 ASP CB . 26052 1 482 . 1 1 50 50 ASP N N 15 116.078 0.045 . 1 . 20 . A 50 ASP N . 26052 1 483 . 1 1 51 51 LYS H H 1 8.280 0.002 . 1 . 49 . A 51 LYS H . 26052 1 484 . 1 1 51 51 LYS HA H 1 4.620 0.001 . 1 . 1153 . A 51 LYS HA . 26052 1 485 . 1 1 51 51 LYS HB2 H 1 1.909 0.0 . 2 . 1154 . A 51 LYS HB2 . 26052 1 486 . 1 1 51 51 LYS HB3 H 1 2.062 0.01 . 2 . 1155 . A 51 LYS HB3 . 26052 1 487 . 1 1 51 51 LYS HG2 H 1 1.409 0.01 . 2 . 1158 . A 51 LYS HG2 . 26052 1 488 . 1 1 51 51 LYS HG3 H 1 1.348 0.01 . 2 . 1159 . A 51 LYS HG3 . 26052 1 489 . 1 1 51 51 LYS HD2 H 1 1.449 0.01 . 2 . 1156 . A 51 LYS HD2 . 26052 1 490 . 1 1 51 51 LYS HD3 H 1 1.525 0.003 . 2 . 1157 . A 51 LYS HD3 . 26052 1 491 . 1 1 51 51 LYS HE2 H 1 2.938 0.01 . 1 . 1161 . A 51 LYS HE2 . 26052 1 492 . 1 1 51 51 LYS HE3 H 1 2.938 0.01 . 1 . 1162 . A 51 LYS HE3 . 26052 1 493 . 1 1 51 51 LYS C C 13 177.834 0.006 . 1 . 478 . A 51 LYS C . 26052 1 494 . 1 1 51 51 LYS CA C 13 56.318 0.039 . 1 . 480 . A 51 LYS CA . 26052 1 495 . 1 1 51 51 LYS CB C 13 31.754 0.027 . 1 . 481 . A 51 LYS CB . 26052 1 496 . 1 1 51 51 LYS CG C 13 25.632 0.082 . 1 . 484 . A 51 LYS CG . 26052 1 497 . 1 1 51 51 LYS CD C 13 28.558 0.036 . 1 . 483 . A 51 LYS CD . 26052 1 498 . 1 1 51 51 LYS CE C 13 42.418 0.1 . 1 . 1160 . A 51 LYS CE . 26052 1 499 . 1 1 51 51 LYS N N 15 118.514 0.025 . 1 . 50 . A 51 LYS N . 26052 1 500 . 1 1 52 52 LEU H H 1 7.931 0.003 . 1 . 57 . A 52 LEU H . 26052 1 501 . 1 1 52 52 LEU HA H 1 4.273 0.003 . 1 . 1147 . A 52 LEU HA . 26052 1 502 . 1 1 52 52 LEU HB2 H 1 1.714 0.003 . 2 . 1145 . A 52 LEU HB2 . 26052 1 503 . 1 1 52 52 LEU HB3 H 1 2.093 0.002 . 2 . 1146 . A 52 LEU HB3 . 26052 1 504 . 1 1 52 52 LEU HG H 1 1.947 0.007 . 1 . 1152 . A 52 LEU HG . 26052 1 505 . 1 1 52 52 LEU HD11 H 1 0.789 0.006 . 2 . 1148 . A 52 LEU HD11 . 26052 1 506 . 1 1 52 52 LEU HD12 H 1 0.789 0.006 . 2 . 1148 . A 52 LEU HD12 . 26052 1 507 . 1 1 52 52 LEU HD13 H 1 0.789 0.006 . 2 . 1148 . A 52 LEU HD13 . 26052 1 508 . 1 1 52 52 LEU HD21 H 1 0.569 0.001 . 2 . 1150 . A 52 LEU HD21 . 26052 1 509 . 1 1 52 52 LEU HD22 H 1 0.569 0.001 . 2 . 1150 . A 52 LEU HD22 . 26052 1 510 . 1 1 52 52 LEU HD23 H 1 0.569 0.001 . 2 . 1150 . A 52 LEU HD23 . 26052 1 511 . 1 1 52 52 LEU C C 13 178.472 0.011 . 1 . 475 . A 52 LEU C . 26052 1 512 . 1 1 52 52 LEU CA C 13 59.248 0.029 . 1 . 476 . A 52 LEU CA . 26052 1 513 . 1 1 52 52 LEU CB C 13 42.049 0.04 . 1 . 477 . A 52 LEU CB . 26052 1 514 . 1 1 52 52 LEU CG C 13 26.496 0.1 . 1 . 1151 . A 52 LEU CG . 26052 1 515 . 1 1 52 52 LEU CD1 C 13 25.376 0.061 . 2 . 479 . A 52 LEU CD1 . 26052 1 516 . 1 1 52 52 LEU CD2 C 13 23.926 0.012 . 2 . 1149 . A 52 LEU CD2 . 26052 1 517 . 1 1 52 52 LEU N N 15 124.173 0.09 . 1 . 58 . A 52 LEU N . 26052 1 518 . 1 1 53 53 SER H H 1 8.545 0.003 . 1 . 233 . A 53 SER H . 26052 1 519 . 1 1 53 53 SER HA H 1 4.438 0.001 . 1 . 1143 . A 53 SER HA . 26052 1 520 . 1 1 53 53 SER C C 13 177.382 0.007 . 1 . 471 . A 53 SER C . 26052 1 521 . 1 1 53 53 SER CA C 13 61.236 0.144 . 1 . 473 . A 53 SER CA . 26052 1 522 . 1 1 53 53 SER CB C 13 62.449 0.028 . 1 . 474 . A 53 SER CB . 26052 1 523 . 1 1 53 53 SER N N 15 112.254 0.064 . 1 . 234 . A 53 SER N . 26052 1 524 . 1 1 54 54 GLN H H 1 7.698 0.002 . 1 . 237 . A 54 GLN H . 26052 1 525 . 1 1 54 54 GLN HA H 1 4.288 0.001 . 1 . 1138 . A 54 GLN HA . 26052 1 526 . 1 1 54 54 GLN HB2 H 1 2.259 0.0 . 2 . 1141 . A 54 GLN HB2 . 26052 1 527 . 1 1 54 54 GLN HB3 H 1 2.342 0.002 . 2 . 1142 . A 54 GLN HB3 . 26052 1 528 . 1 1 54 54 GLN HG2 H 1 2.411 0.01 . 2 . 1139 . A 54 GLN HG2 . 26052 1 529 . 1 1 54 54 GLN HG3 H 1 2.513 0.001 . 2 . 1140 . A 54 GLN HG3 . 26052 1 530 . 1 1 54 54 GLN HE21 H 1 7.425 0.01 . 1 . 1366 . A 54 GLN HE21 . 26052 1 531 . 1 1 54 54 GLN HE22 H 1 6.830 0.01 . 1 . 1368 . A 54 GLN HE22 . 26052 1 532 . 1 1 54 54 GLN C C 13 178.876 0.008 . 1 . 470 . A 54 GLN C . 26052 1 533 . 1 1 54 54 GLN CA C 13 58.747 0.027 . 1 . 469 . A 54 GLN CA . 26052 1 534 . 1 1 54 54 GLN CB C 13 28.075 0.015 . 1 . 468 . A 54 GLN CB . 26052 1 535 . 1 1 54 54 GLN CG C 13 33.943 0.007 . 1 . 472 . A 54 GLN CG . 26052 1 536 . 1 1 54 54 GLN N N 15 123.843 0.04 . 1 . 238 . A 54 GLN N . 26052 1 537 . 1 1 54 54 GLN NE2 N 15 110.368 0.001 . 1 . 1367 . A 54 GLN NE2 . 26052 1 538 . 1 1 55 55 LEU H H 1 8.064 0.002 . 1 . 217 . A 55 LEU H . 26052 1 539 . 1 1 55 55 LEU HA H 1 4.272 0.005 . 1 . 1132 . A 55 LEU HA . 26052 1 540 . 1 1 55 55 LEU HB2 H 1 1.570 0.001 . 2 . 1130 . A 55 LEU HB2 . 26052 1 541 . 1 1 55 55 LEU HB3 H 1 2.499 0.002 . 2 . 1131 . A 55 LEU HB3 . 26052 1 542 . 1 1 55 55 LEU HG H 1 1.928 0.002 . 1 . 1137 . A 55 LEU HG . 26052 1 543 . 1 1 55 55 LEU HD11 H 1 0.833 0.003 . 2 . 1133 . A 55 LEU HD11 . 26052 1 544 . 1 1 55 55 LEU HD12 H 1 0.833 0.003 . 2 . 1133 . A 55 LEU HD12 . 26052 1 545 . 1 1 55 55 LEU HD13 H 1 0.833 0.003 . 2 . 1133 . A 55 LEU HD13 . 26052 1 546 . 1 1 55 55 LEU HD21 H 1 0.547 0.004 . 2 . 1135 . A 55 LEU HD21 . 26052 1 547 . 1 1 55 55 LEU HD22 H 1 0.547 0.004 . 2 . 1135 . A 55 LEU HD22 . 26052 1 548 . 1 1 55 55 LEU HD23 H 1 0.547 0.004 . 2 . 1135 . A 55 LEU HD23 . 26052 1 549 . 1 1 55 55 LEU C C 13 178.315 0.012 . 1 . 464 . A 55 LEU C . 26052 1 550 . 1 1 55 55 LEU CA C 13 57.796 0.051 . 1 . 466 . A 55 LEU CA . 26052 1 551 . 1 1 55 55 LEU CB C 13 41.729 0.029 . 1 . 465 . A 55 LEU CB . 26052 1 552 . 1 1 55 55 LEU CG C 13 26.718 0.1 . 1 . 1136 . A 55 LEU CG . 26052 1 553 . 1 1 55 55 LEU CD1 C 13 27.412 0.103 . 2 . 467 . A 55 LEU CD1 . 26052 1 554 . 1 1 55 55 LEU CD2 C 13 24.964 0.051 . 2 . 1134 . A 55 LEU CD2 . 26052 1 555 . 1 1 55 55 LEU N N 15 122.211 0.043 . 1 . 218 . A 55 LEU N . 26052 1 556 . 1 1 56 56 LYS H H 1 8.484 0.001 . 1 . 177 . A 56 LYS H . 26052 1 557 . 1 1 56 56 LYS HA H 1 3.677 0.002 . 1 . 1119 . A 56 LYS HA . 26052 1 558 . 1 1 56 56 LYS HB2 H 1 2.218 0.002 . 2 . 1120 . A 56 LYS HB2 . 26052 1 559 . 1 1 56 56 LYS HB3 H 1 2.091 0.003 . 2 . 1121 . A 56 LYS HB3 . 26052 1 560 . 1 1 56 56 LYS HG2 H 1 1.391 0.01 . 2 . 1122 . A 56 LYS HG2 . 26052 1 561 . 1 1 56 56 LYS HG3 H 1 1.303 0.01 . 2 . 1123 . A 56 LYS HG3 . 26052 1 562 . 1 1 56 56 LYS HD2 H 1 1.005 0.001 . 2 . 1125 . A 56 LYS HD2 . 26052 1 563 . 1 1 56 56 LYS HD3 H 1 1.720 0.001 . 2 . 1126 . A 56 LYS HD3 . 26052 1 564 . 1 1 56 56 LYS HE2 H 1 2.918 0.0 . 2 . 1128 . A 56 LYS HE2 . 26052 1 565 . 1 1 56 56 LYS HE3 H 1 2.918 0.01 . 2 . 1129 . A 56 LYS HE3 . 26052 1 566 . 1 1 56 56 LYS C C 13 177.555 0.008 . 1 . 439 . A 56 LYS C . 26052 1 567 . 1 1 56 56 LYS CA C 13 58.471 0.042 . 1 . 450 . A 56 LYS CA . 26052 1 568 . 1 1 56 56 LYS CB C 13 31.181 0.073 . 1 . 448 . A 56 LYS CB . 26052 1 569 . 1 1 56 56 LYS CG C 13 25.040 0.047 . 1 . 449 . A 56 LYS CG . 26052 1 570 . 1 1 56 56 LYS CD C 13 27.567 0.017 . 1 . 1124 . A 56 LYS CD . 26052 1 571 . 1 1 56 56 LYS CE C 13 42.440 0.1 . 1 . 1127 . A 56 LYS CE . 26052 1 572 . 1 1 56 56 LYS N N 15 121.033 0.043 . 1 . 178 . A 56 LYS N . 26052 1 573 . 1 1 57 57 THR H H 1 7.804 0.002 . 1 . 7 . A 57 THR H . 26052 1 574 . 1 1 57 57 THR HA H 1 4.015 0.002 . 1 . 1115 . A 57 THR HA . 26052 1 575 . 1 1 57 57 THR HB H 1 4.350 0.003 . 1 . 1116 . A 57 THR HB . 26052 1 576 . 1 1 57 57 THR HG21 H 1 1.323 0.003 . 1 . 1118 . A 57 THR HG21 . 26052 1 577 . 1 1 57 57 THR HG22 H 1 1.323 0.003 . 1 . 1118 . A 57 THR HG22 . 26052 1 578 . 1 1 57 57 THR HG23 H 1 1.323 0.003 . 1 . 1118 . A 57 THR HG23 . 26052 1 579 . 1 1 57 57 THR C C 13 177.019 0.006 . 1 . 440 . A 57 THR C . 26052 1 580 . 1 1 57 57 THR CA C 13 66.849 0.1 . 1 . 427 . A 57 THR CA . 26052 1 581 . 1 1 57 57 THR CB C 13 68.915 0.051 . 1 . 426 . A 57 THR CB . 26052 1 582 . 1 1 57 57 THR CG2 C 13 22.151 0.024 . 1 . 1117 . A 57 THR CG2 . 26052 1 583 . 1 1 57 57 THR N N 15 115.199 0.046 . 1 . 8 . A 57 THR N . 26052 1 584 . 1 1 58 58 LEU H H 1 7.538 0.002 . 1 . 221 . A 58 LEU H . 26052 1 585 . 1 1 58 58 LEU HA H 1 4.179 0.0 . 1 . 1111 . A 58 LEU HA . 26052 1 586 . 1 1 58 58 LEU HB2 H 1 2.387 0.002 . 2 . 1109 . A 58 LEU HB2 . 26052 1 587 . 1 1 58 58 LEU HB3 H 1 1.725 0.01 . 2 . 1110 . A 58 LEU HB3 . 26052 1 588 . 1 1 58 58 LEU HG H 1 2.062 0.005 . 1 . 1114 . A 58 LEU HG . 26052 1 589 . 1 1 58 58 LEU HD11 H 1 0.965 0.004 . 2 . 1112 . A 58 LEU HD11 . 26052 1 590 . 1 1 58 58 LEU HD12 H 1 0.965 0.004 . 2 . 1112 . A 58 LEU HD12 . 26052 1 591 . 1 1 58 58 LEU HD13 H 1 0.965 0.004 . 2 . 1112 . A 58 LEU HD13 . 26052 1 592 . 1 1 58 58 LEU HD21 H 1 0.996 0.001 . 2 . 1408 . A 58 LEU HD21 . 26052 1 593 . 1 1 58 58 LEU HD22 H 1 0.996 0.001 . 2 . 1408 . A 58 LEU HD22 . 26052 1 594 . 1 1 58 58 LEU HD23 H 1 0.996 0.001 . 2 . 1408 . A 58 LEU HD23 . 26052 1 595 . 1 1 58 58 LEU C C 13 179.262 0.004 . 1 . 441 . A 58 LEU C . 26052 1 596 . 1 1 58 58 LEU CA C 13 58.080 0.017 . 1 . 428 . A 58 LEU CA . 26052 1 597 . 1 1 58 58 LEU CB C 13 42.032 0.029 . 1 . 429 . A 58 LEU CB . 26052 1 598 . 1 1 58 58 LEU CG C 13 26.751 0.1 . 1 . 1113 . A 58 LEU CG . 26052 1 599 . 1 1 58 58 LEU CD1 C 13 27.050 0.045 . 2 . 452 . A 58 LEU CD1 . 26052 1 600 . 1 1 58 58 LEU CD2 C 13 22.464 0.004 . 2 . 1409 . A 58 LEU CD2 . 26052 1 601 . 1 1 58 58 LEU N N 15 120.551 0.045 . 1 . 222 . A 58 LEU N . 26052 1 602 . 1 1 59 59 LEU H H 1 8.676 0.001 . 1 . 11 . A 59 LEU H . 26052 1 603 . 1 1 59 59 LEU HA H 1 3.842 0.006 . 1 . 1102 . A 59 LEU HA . 26052 1 604 . 1 1 59 59 LEU HB2 H 1 1.416 0.003 . 2 . 1103 . A 59 LEU HB2 . 26052 1 605 . 1 1 59 59 LEU HB3 H 1 2.277 0.001 . 2 . 1104 . A 59 LEU HB3 . 26052 1 606 . 1 1 59 59 LEU HG H 1 1.519 0.0 . 1 . 1108 . A 59 LEU HG . 26052 1 607 . 1 1 59 59 LEU HD11 H 1 0.276 0.002 . 2 . 1105 . A 59 LEU HD11 . 26052 1 608 . 1 1 59 59 LEU HD12 H 1 0.276 0.002 . 2 . 1105 . A 59 LEU HD12 . 26052 1 609 . 1 1 59 59 LEU HD13 H 1 0.276 0.002 . 2 . 1105 . A 59 LEU HD13 . 26052 1 610 . 1 1 59 59 LEU HD21 H 1 0.478 0.006 . 2 . 1106 . A 59 LEU HD21 . 26052 1 611 . 1 1 59 59 LEU HD22 H 1 0.478 0.006 . 2 . 1106 . A 59 LEU HD22 . 26052 1 612 . 1 1 59 59 LEU HD23 H 1 0.478 0.006 . 2 . 1106 . A 59 LEU HD23 . 26052 1 613 . 1 1 59 59 LEU C C 13 179.337 0.055 . 1 . 442 . A 59 LEU C . 26052 1 614 . 1 1 59 59 LEU CA C 13 58.010 0.078 . 1 . 451 . A 59 LEU CA . 26052 1 615 . 1 1 59 59 LEU CB C 13 41.399 0.027 . 1 . 430 . A 59 LEU CB . 26052 1 616 . 1 1 59 59 LEU CG C 13 26.417 0.1 . 1 . 1107 . A 59 LEU CG . 26052 1 617 . 1 1 59 59 LEU CD1 C 13 24.050 0.047 . 2 . 453 . A 59 LEU CD1 . 26052 1 618 . 1 1 59 59 LEU CD2 C 13 25.999 0.054 . 2 . 454 . A 59 LEU CD2 . 26052 1 619 . 1 1 59 59 LEU N N 15 122.127 0.042 . 1 . 12 . A 59 LEU N . 26052 1 620 . 1 1 60 60 ASP H H 1 8.541 0.001 . 1 . 37 . A 60 ASP H . 26052 1 621 . 1 1 60 60 ASP HA H 1 4.373 0.001 . 1 . 1101 . A 60 ASP HA . 26052 1 622 . 1 1 60 60 ASP HB2 H 1 2.684 0.001 . 2 . 1099 . A 60 ASP HB2 . 26052 1 623 . 1 1 60 60 ASP HB3 H 1 2.815 0.003 . 2 . 1100 . A 60 ASP HB3 . 26052 1 624 . 1 1 60 60 ASP C C 13 179.693 0.013 . 1 . 443 . A 60 ASP C . 26052 1 625 . 1 1 60 60 ASP CA C 13 56.945 0.052 . 1 . 431 . A 60 ASP CA . 26052 1 626 . 1 1 60 60 ASP CB C 13 39.349 0.037 . 1 . 432 . A 60 ASP CB . 26052 1 627 . 1 1 60 60 ASP N N 15 118.846 0.03 . 1 . 38 . A 60 ASP N . 26052 1 628 . 1 1 61 61 LYS H H 1 7.450 0.003 . 1 . 95 . A 61 LYS H . 26052 1 629 . 1 1 61 61 LYS HA H 1 4.133 0.004 . 1 . 1095 . A 61 LYS HA . 26052 1 630 . 1 1 61 61 LYS HB2 H 1 1.991 0.01 . 2 . 1093 . A 61 LYS HB2 . 26052 1 631 . 1 1 61 61 LYS HB3 H 1 2.033 0.01 . 2 . 1094 . A 61 LYS HB3 . 26052 1 632 . 1 1 61 61 LYS HG2 H 1 1.798 0.01 . 2 . 1096 . A 61 LYS HG2 . 26052 1 633 . 1 1 61 61 LYS HG3 H 1 1.543 0.01 . 2 . 1097 . A 61 LYS HG3 . 26052 1 634 . 1 1 61 61 LYS C C 13 177.825 0.013 . 1 . 444 . A 61 LYS C . 26052 1 635 . 1 1 61 61 LYS CA C 13 58.565 0.017 . 1 . 434 . A 61 LYS CA . 26052 1 636 . 1 1 61 61 LYS CB C 13 32.400 0.017 . 1 . 433 . A 61 LYS CB . 26052 1 637 . 1 1 61 61 LYS CG C 13 25.247 0.003 . 1 . 456 . A 61 LYS CG . 26052 1 638 . 1 1 61 61 LYS CD C 13 29.061 0.1 . 1 . 455 . A 61 LYS CD . 26052 1 639 . 1 1 61 61 LYS N N 15 119.107 0.035 . 1 . 96 . A 61 LYS N . 26052 1 640 . 1 1 62 62 LEU H H 1 7.859 0.002 . 1 . 159 . A 62 LEU H . 26052 1 641 . 1 1 62 62 LEU HA H 1 4.378 0.001 . 1 . 1088 . A 62 LEU HA . 26052 1 642 . 1 1 62 62 LEU HB2 H 1 1.308 0.002 . 2 . 1089 . A 62 LEU HB2 . 26052 1 643 . 1 1 62 62 LEU HB3 H 1 2.174 0.006 . 2 . 1090 . A 62 LEU HB3 . 26052 1 644 . 1 1 62 62 LEU HG H 1 1.907 0.002 . 1 . 1092 . A 62 LEU HG . 26052 1 645 . 1 1 62 62 LEU HD11 H 1 0.666 0.001 . 2 . 1086 . A 62 LEU HD11 . 26052 1 646 . 1 1 62 62 LEU HD12 H 1 0.666 0.001 . 2 . 1086 . A 62 LEU HD12 . 26052 1 647 . 1 1 62 62 LEU HD13 H 1 0.666 0.001 . 2 . 1086 . A 62 LEU HD13 . 26052 1 648 . 1 1 62 62 LEU HD21 H 1 0.467 0.001 . 2 . 1087 . A 62 LEU HD21 . 26052 1 649 . 1 1 62 62 LEU HD22 H 1 0.467 0.001 . 2 . 1087 . A 62 LEU HD22 . 26052 1 650 . 1 1 62 62 LEU HD23 H 1 0.467 0.001 . 2 . 1087 . A 62 LEU HD23 . 26052 1 651 . 1 1 62 62 LEU C C 13 177.454 0.01 . 1 . 445 . A 62 LEU C . 26052 1 652 . 1 1 62 62 LEU CA C 13 54.009 0.042 . 1 . 435 . A 62 LEU CA . 26052 1 653 . 1 1 62 62 LEU CB C 13 42.238 0.043 . 1 . 436 . A 62 LEU CB . 26052 1 654 . 1 1 62 62 LEU CG C 13 26.379 0.1 . 1 . 1091 . A 62 LEU CG . 26052 1 655 . 1 1 62 62 LEU CD1 C 13 23.815 0.06 . 2 . 457 . A 62 LEU CD1 . 26052 1 656 . 1 1 62 62 LEU CD2 C 13 25.591 0.032 . 2 . 458 . A 62 LEU CD2 . 26052 1 657 . 1 1 62 62 LEU N N 15 115.001 0.022 . 1 . 160 . A 62 LEU N . 26052 1 658 . 1 1 63 63 GLU H H 1 7.394 0.003 . 1 . 143 . A 63 GLU H . 26052 1 659 . 1 1 63 63 GLU HA H 1 3.023 0.01 . 1 . 1081 . A 63 GLU HA . 26052 1 660 . 1 1 63 63 GLU HB2 H 1 1.801 0.0 . 1 . 1084 . A 63 GLU HB2 . 26052 1 661 . 1 1 63 63 GLU HB3 H 1 1.801 0.0 . 1 . 1085 . A 63 GLU HB3 . 26052 1 662 . 1 1 63 63 GLU HG2 H 1 2.090 0.0 . 2 . 1082 . A 63 GLU HG2 . 26052 1 663 . 1 1 63 63 GLU HG3 H 1 1.796 0.002 . 2 . 1083 . A 63 GLU HG3 . 26052 1 664 . 1 1 63 63 GLU C C 13 176.663 0.007 . 1 . 446 . A 63 GLU C . 26052 1 665 . 1 1 63 63 GLU CA C 13 59.475 0.042 . 1 . 438 . A 63 GLU CA . 26052 1 666 . 1 1 63 63 GLU CB C 13 29.199 0.036 . 1 . 437 . A 63 GLU CB . 26052 1 667 . 1 1 63 63 GLU CG C 13 36.718 0.009 . 1 . 459 . A 63 GLU CG . 26052 1 668 . 1 1 63 63 GLU N N 15 122.419 0.031 . 1 . 144 . A 63 GLU N . 26052 1 669 . 1 1 64 64 GLY H H 1 8.704 0.003 . 1 . 97 . A 64 GLY H . 26052 1 670 . 1 1 64 64 GLY HA2 H 1 4.306 0.003 . 2 . 1079 . A 64 GLY HA2 . 26052 1 671 . 1 1 64 64 GLY HA3 H 1 3.592 0.0 . 2 . 1080 . A 64 GLY HA3 . 26052 1 672 . 1 1 64 64 GLY C C 13 173.761 0.012 . 1 . 447 . A 64 GLY C . 26052 1 673 . 1 1 64 64 GLY CA C 13 45.046 0.036 . 1 . 460 . A 64 GLY CA . 26052 1 674 . 1 1 64 64 GLY N N 15 113.234 0.047 . 1 . 98 . A 64 GLY N . 26052 1 675 . 1 1 65 65 SER H H 1 8.080 0.002 . 1 . 195 . A 65 SER H . 26052 1 676 . 1 1 65 65 SER HA H 1 4.983 0.002 . 1 . 1076 . A 65 SER HA . 26052 1 677 . 1 1 65 65 SER HB2 H 1 4.313 0.002 . 2 . 1077 . A 65 SER HB2 . 26052 1 678 . 1 1 65 65 SER HB3 H 1 3.921 0.001 . 2 . 1078 . A 65 SER HB3 . 26052 1 679 . 1 1 65 65 SER C C 13 176.737 0.1 . 1 . 461 . A 65 SER C . 26052 1 680 . 1 1 65 65 SER CA C 13 57.335 0.039 . 1 . 462 . A 65 SER CA . 26052 1 681 . 1 1 65 65 SER CB C 13 67.110 0.018 . 1 . 463 . A 65 SER CB . 26052 1 682 . 1 1 65 65 SER N N 15 115.227 0.032 . 1 . 196 . A 65 SER N . 26052 1 683 . 1 1 66 66 ARG HA H 1 4.206 0.001 . 1 . 1069 . A 66 ARG HA . 26052 1 684 . 1 1 66 66 ARG HB2 H 1 1.964 0.01 . 2 . 1072 . A 66 ARG HB2 . 26052 1 685 . 1 1 66 66 ARG HB3 H 1 1.908 0.01 . 2 . 1073 . A 66 ARG HB3 . 26052 1 686 . 1 1 66 66 ARG HG2 H 1 1.733 0.0 . 1 . 1074 . A 66 ARG HG2 . 26052 1 687 . 1 1 66 66 ARG HG3 H 1 1.733 0.0 . 1 . 1075 . A 66 ARG HG3 . 26052 1 688 . 1 1 66 66 ARG HD2 H 1 3.245 0.0 . 1 . 1070 . A 66 ARG HD2 . 26052 1 689 . 1 1 66 66 ARG HD3 H 1 3.245 0.0 . 1 . 1071 . A 66 ARG HD3 . 26052 1 690 . 1 1 66 66 ARG C C 13 178.430 0.006 . 1 . 707 . A 66 ARG C . 26052 1 691 . 1 1 66 66 ARG CA C 13 58.854 0.033 . 1 . 709 . A 66 ARG CA . 26052 1 692 . 1 1 66 66 ARG CB C 13 29.836 0.005 . 1 . 708 . A 66 ARG CB . 26052 1 693 . 1 1 66 66 ARG CG C 13 27.093 0.006 . 1 . 711 . A 66 ARG CG . 26052 1 694 . 1 1 66 66 ARG CD C 13 43.407 0.007 . 1 . 710 . A 66 ARG CD . 26052 1 695 . 1 1 67 67 GLU H H 1 8.948 0.001 . 1 . 153 . A 67 GLU H . 26052 1 696 . 1 1 67 67 GLU HA H 1 4.083 0.002 . 1 . 1068 . A 67 GLU HA . 26052 1 697 . 1 1 67 67 GLU HB2 H 1 2.023 0.01 . 2 . 1064 . A 67 GLU HB2 . 26052 1 698 . 1 1 67 67 GLU HB3 H 1 1.967 0.01 . 2 . 1065 . A 67 GLU HB3 . 26052 1 699 . 1 1 67 67 GLU HG2 H 1 2.318 0.002 . 2 . 1066 . A 67 GLU HG2 . 26052 1 700 . 1 1 67 67 GLU HG3 H 1 2.511 0.002 . 2 . 1067 . A 67 GLU HG3 . 26052 1 701 . 1 1 67 67 GLU C C 13 177.235 0.011 . 1 . 703 . A 67 GLU C . 26052 1 702 . 1 1 67 67 GLU CA C 13 59.274 0.036 . 1 . 706 . A 67 GLU CA . 26052 1 703 . 1 1 67 67 GLU CB C 13 29.023 0.048 . 1 . 705 . A 67 GLU CB . 26052 1 704 . 1 1 67 67 GLU CG C 13 37.908 0.029 . 1 . 704 . A 67 GLU CG . 26052 1 705 . 1 1 67 67 GLU N N 15 118.828 0.028 . 1 . 154 . A 67 GLU N . 26052 1 706 . 1 1 68 68 HIS H H 1 7.730 0.002 . 1 . 87 . A 68 HIS H . 26052 1 707 . 1 1 68 68 HIS HA H 1 3.614 0.002 . 1 . 1063 . A 68 HIS HA . 26052 1 708 . 1 1 68 68 HIS HB2 H 1 3.408 0.001 . 2 . 1061 . A 68 HIS HB2 . 26052 1 709 . 1 1 68 68 HIS HB3 H 1 3.048 0.001 . 2 . 1062 . A 68 HIS HB3 . 26052 1 710 . 1 1 68 68 HIS HD2 H 1 6.967 0.005 . 1 . 1320 . A 68 HIS HD2 . 26052 1 711 . 1 1 68 68 HIS HE1 H 1 7.640 0.01 . 1 . 1323 . A 68 HIS HE1 . 26052 1 712 . 1 1 68 68 HIS C C 13 175.718 0.012 . 1 . 699 . A 68 HIS C . 26052 1 713 . 1 1 68 68 HIS CA C 13 62.028 0.014 . 1 . 702 . A 68 HIS CA . 26052 1 714 . 1 1 68 68 HIS CB C 13 31.566 0.024 . 1 . 701 . A 68 HIS CB . 26052 1 715 . 1 1 68 68 HIS CD2 C 13 117.390 0.1 . 1 . 1321 . A 68 HIS CD2 . 26052 1 716 . 1 1 68 68 HIS CE1 C 13 137.907 0.1 . 1 . 1322 . A 68 HIS CE1 . 26052 1 717 . 1 1 68 68 HIS N N 15 119.155 0.068 . 1 . 88 . A 68 HIS N . 26052 1 718 . 1 1 69 69 THR H H 1 7.683 0.002 . 1 . 265 . A 69 THR H . 26052 1 719 . 1 1 69 69 THR HA H 1 3.772 0.002 . 1 . 1059 . A 69 THR HA . 26052 1 720 . 1 1 69 69 THR HB H 1 4.159 0.001 . 1 . 1060 . A 69 THR HB . 26052 1 721 . 1 1 69 69 THR HG21 H 1 1.270 0.001 . 1 . 1058 . A 69 THR HG21 . 26052 1 722 . 1 1 69 69 THR HG22 H 1 1.270 0.001 . 1 . 1058 . A 69 THR HG22 . 26052 1 723 . 1 1 69 69 THR HG23 H 1 1.270 0.001 . 1 . 1058 . A 69 THR HG23 . 26052 1 724 . 1 1 69 69 THR C C 13 176.576 0.011 . 1 . 694 . A 69 THR C . 26052 1 725 . 1 1 69 69 THR CA C 13 66.893 0.012 . 1 . 697 . A 69 THR CA . 26052 1 726 . 1 1 69 69 THR CB C 13 68.452 0.116 . 1 . 698 . A 69 THR CB . 26052 1 727 . 1 1 69 69 THR CG2 C 13 22.007 0.002 . 1 . 700 . A 69 THR CG2 . 26052 1 728 . 1 1 69 69 THR N N 15 112.355 0.073 . 1 . 266 . A 69 THR N . 26052 1 729 . 1 1 70 70 LEU H H 1 7.967 0.004 . 1 . 107 . A 70 LEU H . 26052 1 730 . 1 1 70 70 LEU HA H 1 4.168 0.001 . 1 . 1051 . A 70 LEU HA . 26052 1 731 . 1 1 70 70 LEU HB2 H 1 1.584 0.003 . 2 . 1052 . A 70 LEU HB2 . 26052 1 732 . 1 1 70 70 LEU HB3 H 1 1.682 0.003 . 2 . 1053 . A 70 LEU HB3 . 26052 1 733 . 1 1 70 70 LEU HG H 1 1.444 0.002 . 1 . 1054 . A 70 LEU HG . 26052 1 734 . 1 1 70 70 LEU HD11 H 1 0.930 0.0 . 2 . 1055 . A 70 LEU HD11 . 26052 1 735 . 1 1 70 70 LEU HD12 H 1 0.930 0.0 . 2 . 1055 . A 70 LEU HD12 . 26052 1 736 . 1 1 70 70 LEU HD13 H 1 0.930 0.0 . 2 . 1055 . A 70 LEU HD13 . 26052 1 737 . 1 1 70 70 LEU HD21 H 1 0.914 0.002 . 2 . 1057 . A 70 LEU HD21 . 26052 1 738 . 1 1 70 70 LEU HD22 H 1 0.914 0.002 . 2 . 1057 . A 70 LEU HD22 . 26052 1 739 . 1 1 70 70 LEU HD23 H 1 0.914 0.002 . 2 . 1057 . A 70 LEU HD23 . 26052 1 740 . 1 1 70 70 LEU C C 13 178.872 0.012 . 1 . 691 . A 70 LEU C . 26052 1 741 . 1 1 70 70 LEU CA C 13 57.356 0.029 . 1 . 693 . A 70 LEU CA . 26052 1 742 . 1 1 70 70 LEU CB C 13 41.557 0.021 . 1 . 692 . A 70 LEU CB . 26052 1 743 . 1 1 70 70 LEU CG C 13 27.147 0.01 . 1 . 695 . A 70 LEU CG . 26052 1 744 . 1 1 70 70 LEU CD1 C 13 23.435 0.002 . 2 . 696 . A 70 LEU CD1 . 26052 1 745 . 1 1 70 70 LEU CD2 C 13 24.887 0.094 . 2 . 1056 . A 70 LEU CD2 . 26052 1 746 . 1 1 70 70 LEU N N 15 122.613 0.074 . 1 . 108 . A 70 LEU N . 26052 1 747 . 1 1 71 71 ALA H H 1 7.284 0.004 . 1 . 223 . A 71 ALA H . 26052 1 748 . 1 1 71 71 ALA HA H 1 3.575 0.0 . 1 . 1050 . A 71 ALA HA . 26052 1 749 . 1 1 71 71 ALA HB1 H 1 0.277 0.001 . 1 . 1049 . A 71 ALA HB1 . 26052 1 750 . 1 1 71 71 ALA HB2 H 1 0.277 0.001 . 1 . 1049 . A 71 ALA HB2 . 26052 1 751 . 1 1 71 71 ALA HB3 H 1 0.277 0.001 . 1 . 1049 . A 71 ALA HB3 . 26052 1 752 . 1 1 71 71 ALA C C 13 178.312 0.014 . 1 . 688 . A 71 ALA C . 26052 1 753 . 1 1 71 71 ALA CA C 13 55.188 0.024 . 1 . 690 . A 71 ALA CA . 26052 1 754 . 1 1 71 71 ALA CB C 13 17.560 0.018 . 1 . 689 . A 71 ALA CB . 26052 1 755 . 1 1 71 71 ALA N N 15 122.075 0.031 . 1 . 224 . A 71 ALA N . 26052 1 756 . 1 1 72 72 LYS H H 1 8.832 0.002 . 1 . 247 . A 72 LYS H . 26052 1 757 . 1 1 72 72 LYS HA H 1 3.708 0.0 . 1 . 1043 . A 72 LYS HA . 26052 1 758 . 1 1 72 72 LYS HB2 H 1 1.095 0.001 . 2 . 1044 . A 72 LYS HB2 . 26052 1 759 . 1 1 72 72 LYS HB3 H 1 1.727 0.001 . 2 . 1045 . A 72 LYS HB3 . 26052 1 760 . 1 1 72 72 LYS HG2 H 1 1.302 0.01 . 2 . 1046 . A 72 LYS HG2 . 26052 1 761 . 1 1 72 72 LYS HG3 H 1 1.469 0.01 . 2 . 1047 . A 72 LYS HG3 . 26052 1 762 . 1 1 72 72 LYS HD2 H 1 1.717 0.01 . 2 . 1048 . A 72 LYS HD2 . 26052 1 763 . 1 1 72 72 LYS HD3 H 1 1.584 0.0 . 2 . 1399 . A 72 LYS HD3 . 26052 1 764 . 1 1 72 72 LYS HE2 H 1 3.107 0.01 . 1 . 1401 . A 72 LYS HE2 . 26052 1 765 . 1 1 72 72 LYS C C 13 177.592 0.007 . 1 . 685 . A 72 LYS C . 26052 1 766 . 1 1 72 72 LYS CA C 13 59.463 0.01 . 1 . 687 . A 72 LYS CA . 26052 1 767 . 1 1 72 72 LYS CB C 13 31.872 0.019 . 1 . 686 . A 72 LYS CB . 26052 1 768 . 1 1 72 72 LYS CG C 13 25.184 0.029 . 1 . 684 . A 72 LYS CG . 26052 1 769 . 1 1 72 72 LYS CD C 13 29.568 0.047 . 1 . 683 . A 72 LYS CD . 26052 1 770 . 1 1 72 72 LYS CE C 13 42.521 0.1 . 1 . 1400 . A 72 LYS CE . 26052 1 771 . 1 1 72 72 LYS N N 15 119.351 0.032 . 1 . 248 . A 72 LYS N . 26052 1 772 . 1 1 73 73 SER H H 1 7.573 0.001 . 1 . 115 . A 73 SER H . 26052 1 773 . 1 1 73 73 SER HA H 1 4.365 0.0 . 1 . 1040 . A 73 SER HA . 26052 1 774 . 1 1 73 73 SER C C 13 177.965 0.008 . 1 . 680 . A 73 SER C . 26052 1 775 . 1 1 73 73 SER CA C 13 61.607 0.116 . 1 . 682 . A 73 SER CA . 26052 1 776 . 1 1 73 73 SER CB C 13 62.909 0.025 . 1 . 681 . A 73 SER CB . 26052 1 777 . 1 1 73 73 SER N N 15 114.363 0.046 . 1 . 116 . A 73 SER N . 26052 1 778 . 1 1 74 74 LYS H H 1 7.738 0.002 . 1 . 71 . A 74 LYS H . 26052 1 779 . 1 1 74 74 LYS HA H 1 4.029 0.001 . 1 . 1028 . A 74 LYS HA . 26052 1 780 . 1 1 74 74 LYS HB2 H 1 1.392 0.0 . 2 . 1030 . A 74 LYS HB2 . 26052 1 781 . 1 1 74 74 LYS HB3 H 1 1.895 0.001 . 2 . 1031 . A 74 LYS HB3 . 26052 1 782 . 1 1 74 74 LYS HG2 H 1 1.174 0.003 . 2 . 1032 . A 74 LYS HG2 . 26052 1 783 . 1 1 74 74 LYS HG3 H 1 1.580 0.002 . 2 . 1033 . A 74 LYS HG3 . 26052 1 784 . 1 1 74 74 LYS HD2 H 1 1.440 0.01 . 2 . 1035 . A 74 LYS HD2 . 26052 1 785 . 1 1 74 74 LYS HD3 H 1 1.130 0.0 . 2 . 1036 . A 74 LYS HD3 . 26052 1 786 . 1 1 74 74 LYS HE2 H 1 2.634 0.0 . 2 . 1038 . A 74 LYS HE2 . 26052 1 787 . 1 1 74 74 LYS HE3 H 1 2.561 0.0 . 2 . 1039 . A 74 LYS HE3 . 26052 1 788 . 1 1 74 74 LYS C C 13 178.521 0.013 . 1 . 676 . A 74 LYS C . 26052 1 789 . 1 1 74 74 LYS CA C 13 60.140 0.021 . 1 . 678 . A 74 LYS CA . 26052 1 790 . 1 1 74 74 LYS CB C 13 32.198 0.027 . 1 . 679 . A 74 LYS CB . 26052 1 791 . 1 1 74 74 LYS CG C 13 26.225 0.042 . 1 . 677 . A 74 LYS CG . 26052 1 792 . 1 1 74 74 LYS CD C 13 30.184 0.008 . 1 . 1034 . A 74 LYS CD . 26052 1 793 . 1 1 74 74 LYS CE C 13 42.058 0.005 . 1 . 1037 . A 74 LYS CE . 26052 1 794 . 1 1 74 74 LYS N N 15 122.792 0.038 . 1 . 72 . A 74 LYS N . 26052 1 795 . 1 1 75 75 TYR H H 1 9.010 0.002 . 1 . 199 . A 75 TYR H . 26052 1 796 . 1 1 75 75 TYR HA H 1 3.898 0.001 . 1 . 1025 . A 75 TYR HA . 26052 1 797 . 1 1 75 75 TYR HB2 H 1 3.312 0.001 . 2 . 1026 . A 75 TYR HB2 . 26052 1 798 . 1 1 75 75 TYR HB3 H 1 3.066 0.001 . 2 . 1027 . A 75 TYR HB3 . 26052 1 799 . 1 1 75 75 TYR HD1 H 1 7.122 0.012 . 1 . 1319 . A 75 TYR HD1 . 26052 1 800 . 1 1 75 75 TYR HD2 H 1 7.122 0.012 . 1 . 1319 . A 75 TYR HD2 . 26052 1 801 . 1 1 75 75 TYR HE1 H 1 6.792 0.003 . 1 . 1316 . A 75 TYR HE1 . 26052 1 802 . 1 1 75 75 TYR HE2 H 1 6.792 0.003 . 1 . 1316 . A 75 TYR HE2 . 26052 1 803 . 1 1 75 75 TYR C C 13 175.781 0.016 . 1 . 673 . A 75 TYR C . 26052 1 804 . 1 1 75 75 TYR CA C 13 63.115 0.131 . 1 . 674 . A 75 TYR CA . 26052 1 805 . 1 1 75 75 TYR CB C 13 40.130 0.039 . 1 . 675 . A 75 TYR CB . 26052 1 806 . 1 1 75 75 TYR CD1 C 13 132.932 0.1 . 1 . 1318 . A 75 TYR CD1 . 26052 1 807 . 1 1 75 75 TYR CD2 C 13 132.932 0.1 . 1 . 1318 . A 75 TYR CD2 . 26052 1 808 . 1 1 75 75 TYR CE1 C 13 118.061 0.1 . 1 . 1317 . A 75 TYR CE1 . 26052 1 809 . 1 1 75 75 TYR CE2 C 13 118.061 0.1 . 1 . 1317 . A 75 TYR CE2 . 26052 1 810 . 1 1 75 75 TYR N N 15 121.534 0.032 . 1 . 200 . A 75 TYR N . 26052 1 811 . 1 1 76 76 ASP H H 1 9.371 0.001 . 1 . 231 . A 76 ASP H . 26052 1 812 . 1 1 76 76 ASP HA H 1 4.270 0.003 . 1 . 1022 . A 76 ASP HA . 26052 1 813 . 1 1 76 76 ASP HB2 H 1 2.669 0.003 . 2 . 1023 . A 76 ASP HB2 . 26052 1 814 . 1 1 76 76 ASP HB3 H 1 2.761 0.001 . 2 . 1024 . A 76 ASP HB3 . 26052 1 815 . 1 1 76 76 ASP C C 13 179.805 0.01 . 1 . 669 . A 76 ASP C . 26052 1 816 . 1 1 76 76 ASP CA C 13 57.524 0.038 . 1 . 672 . A 76 ASP CA . 26052 1 817 . 1 1 76 76 ASP CB C 13 40.006 0.027 . 1 . 671 . A 76 ASP CB . 26052 1 818 . 1 1 76 76 ASP N N 15 119.022 0.026 . 1 . 232 . A 76 ASP N . 26052 1 819 . 1 1 77 77 SER H H 1 7.751 0.002 . 1 . 141 . A 77 SER H . 26052 1 820 . 1 1 77 77 SER HA H 1 4.329 0.001 . 1 . 1018 . A 77 SER HA . 26052 1 821 . 1 1 77 77 SER HB2 H 1 4.042 0.01 . 2 . 1019 . A 77 SER HB2 . 26052 1 822 . 1 1 77 77 SER HB3 H 1 4.091 0.01 . 2 . 1020 . A 77 SER HB3 . 26052 1 823 . 1 1 77 77 SER C C 13 176.580 0.009 . 1 . 670 . A 77 SER C . 26052 1 824 . 1 1 77 77 SER CA C 13 61.376 0.031 . 1 . 668 . A 77 SER CA . 26052 1 825 . 1 1 77 77 SER CB C 13 62.893 0.16 . 1 . 667 . A 77 SER CB . 26052 1 826 . 1 1 77 77 SER N N 15 114.973 0.032 . 1 . 142 . A 77 SER N . 26052 1 827 . 1 1 78 78 LEU H H 1 7.968 0.002 . 1 . 69 . A 78 LEU H . 26052 1 828 . 1 1 78 78 LEU HA H 1 3.941 0.002 . 1 . 1013 . A 78 LEU HA . 26052 1 829 . 1 1 78 78 LEU HB2 H 1 1.730 0.002 . 2 . 1011 . A 78 LEU HB2 . 26052 1 830 . 1 1 78 78 LEU HB3 H 1 1.615 0.004 . 2 . 1012 . A 78 LEU HB3 . 26052 1 831 . 1 1 78 78 LEU HD11 H 1 -0.245 0.001 . 2 . 1014 . A 78 LEU HD11 . 26052 1 832 . 1 1 78 78 LEU HD12 H 1 -0.245 0.001 . 2 . 1014 . A 78 LEU HD12 . 26052 1 833 . 1 1 78 78 LEU HD13 H 1 -0.245 0.001 . 2 . 1014 . A 78 LEU HD13 . 26052 1 834 . 1 1 78 78 LEU HD21 H 1 0.416 0.001 . 2 . 1015 . A 78 LEU HD21 . 26052 1 835 . 1 1 78 78 LEU HD22 H 1 0.416 0.001 . 2 . 1015 . A 78 LEU HD22 . 26052 1 836 . 1 1 78 78 LEU HD23 H 1 0.416 0.001 . 2 . 1015 . A 78 LEU HD23 . 26052 1 837 . 1 1 78 78 LEU C C 13 177.989 0.012 . 1 . 662 . A 78 LEU C . 26052 1 838 . 1 1 78 78 LEU CA C 13 58.117 0.087 . 1 . 663 . A 78 LEU CA . 26052 1 839 . 1 1 78 78 LEU CB C 13 42.307 0.017 . 1 . 664 . A 78 LEU CB . 26052 1 840 . 1 1 78 78 LEU CD1 C 13 25.877 0.052 . 2 . 665 . A 78 LEU CD1 . 26052 1 841 . 1 1 78 78 LEU CD2 C 13 23.443 0.041 . 2 . 666 . A 78 LEU CD2 . 26052 1 842 . 1 1 78 78 LEU N N 15 124.394 0.048 . 1 . 70 . A 78 LEU N . 26052 1 843 . 1 1 79 79 ALA H H 1 8.910 0.003 . 1 . 209 . A 79 ALA H . 26052 1 844 . 1 1 79 79 ALA HA H 1 3.637 0.003 . 1 . 1010 . A 79 ALA HA . 26052 1 845 . 1 1 79 79 ALA HB1 H 1 1.158 0.009 . 1 . 1009 . A 79 ALA HB1 . 26052 1 846 . 1 1 79 79 ALA HB2 H 1 1.158 0.009 . 1 . 1009 . A 79 ALA HB2 . 26052 1 847 . 1 1 79 79 ALA HB3 H 1 1.158 0.009 . 1 . 1009 . A 79 ALA HB3 . 26052 1 848 . 1 1 79 79 ALA C C 13 180.816 0.013 . 1 . 658 . A 79 ALA C . 26052 1 849 . 1 1 79 79 ALA CA C 13 55.547 0.021 . 1 . 661 . A 79 ALA CA . 26052 1 850 . 1 1 79 79 ALA CB C 13 17.614 0.014 . 1 . 660 . A 79 ALA CB . 26052 1 851 . 1 1 79 79 ALA N N 15 120.232 0.052 . 1 . 210 . A 79 ALA N . 26052 1 852 . 1 1 80 80 THR H H 1 7.814 0.002 . 1 . 185 . A 80 THR H . 26052 1 853 . 1 1 80 80 THR HA H 1 3.838 0.001 . 1 . 1007 . A 80 THR HA . 26052 1 854 . 1 1 80 80 THR HB H 1 4.429 0.002 . 1 . 1006 . A 80 THR HB . 26052 1 855 . 1 1 80 80 THR HG21 H 1 1.239 0.002 . 1 . 1008 . A 80 THR HG21 . 26052 1 856 . 1 1 80 80 THR HG22 H 1 1.239 0.002 . 1 . 1008 . A 80 THR HG22 . 26052 1 857 . 1 1 80 80 THR HG23 H 1 1.239 0.002 . 1 . 1008 . A 80 THR HG23 . 26052 1 858 . 1 1 80 80 THR C C 13 176.373 0.014 . 1 . 654 . A 80 THR C . 26052 1 859 . 1 1 80 80 THR CA C 13 66.709 0.034 . 1 . 657 . A 80 THR CA . 26052 1 860 . 1 1 80 80 THR CB C 13 69.044 0.006 . 1 . 656 . A 80 THR CB . 26052 1 861 . 1 1 80 80 THR CG2 C 13 21.582 0.071 . 1 . 659 . A 80 THR CG2 . 26052 1 862 . 1 1 80 80 THR N N 15 114.984 0.048 . 1 . 186 . A 80 THR N . 26052 1 863 . 1 1 81 81 GLN H H 1 7.824 0.001 . 1 . 173 . A 81 GLN H . 26052 1 864 . 1 1 81 81 GLN HA H 1 3.788 0.002 . 1 . 1001 . A 81 GLN HA . 26052 1 865 . 1 1 81 81 GLN HB2 H 1 2.224 0.0 . 2 . 1004 . A 81 GLN HB2 . 26052 1 866 . 1 1 81 81 GLN HB3 H 1 2.039 0.001 . 2 . 1005 . A 81 GLN HB3 . 26052 1 867 . 1 1 81 81 GLN HG2 H 1 2.835 0.003 . 2 . 1002 . A 81 GLN HG2 . 26052 1 868 . 1 1 81 81 GLN HG3 H 1 2.131 0.001 . 2 . 1003 . A 81 GLN HG3 . 26052 1 869 . 1 1 81 81 GLN HE21 H 1 7.139 0.01 . 1 . 1361 . A 81 GLN HE21 . 26052 1 870 . 1 1 81 81 GLN HE22 H 1 6.967 0.01 . 1 . 1362 . A 81 GLN HE22 . 26052 1 871 . 1 1 81 81 GLN C C 13 176.887 0.035 . 1 . 651 . A 81 GLN C . 26052 1 872 . 1 1 81 81 GLN CA C 13 60.281 0.024 . 1 . 652 . A 81 GLN CA . 26052 1 873 . 1 1 81 81 GLN CB C 13 29.372 0.011 . 1 . 653 . A 81 GLN CB . 26052 1 874 . 1 1 81 81 GLN CG C 13 35.041 0.046 . 1 . 655 . A 81 GLN CG . 26052 1 875 . 1 1 81 81 GLN N N 15 122.692 0.033 . 1 . 174 . A 81 GLN N . 26052 1 876 . 1 1 81 81 GLN NE2 N 15 109.903 0.002 . 1 . 1360 . A 81 GLN NE2 . 26052 1 877 . 1 1 82 82 ILE H H 1 8.495 0.001 . 1 . 23 . A 82 ILE H . 26052 1 878 . 1 1 82 82 ILE HA H 1 2.856 0.001 . 1 . 992 . A 82 ILE HA . 26052 1 879 . 1 1 82 82 ILE HB H 1 1.348 0.001 . 1 . 993 . A 82 ILE HB . 26052 1 880 . 1 1 82 82 ILE HG12 H 1 0.387 0.001 . 2 . 998 . A 82 ILE HG12 . 26052 1 881 . 1 1 82 82 ILE HG13 H 1 1.540 0.001 . 2 . 1000 . A 82 ILE HG13 . 26052 1 882 . 1 1 82 82 ILE HG21 H 1 0.755 0.009 . 1 . 996 . A 82 ILE HG21 . 26052 1 883 . 1 1 82 82 ILE HG22 H 1 0.755 0.009 . 1 . 996 . A 82 ILE HG22 . 26052 1 884 . 1 1 82 82 ILE HG23 H 1 0.755 0.009 . 1 . 996 . A 82 ILE HG23 . 26052 1 885 . 1 1 82 82 ILE HD11 H 1 0.094 0.001 . 1 . 994 . A 82 ILE HD11 . 26052 1 886 . 1 1 82 82 ILE HD12 H 1 0.094 0.001 . 1 . 994 . A 82 ILE HD12 . 26052 1 887 . 1 1 82 82 ILE HD13 H 1 0.094 0.001 . 1 . 994 . A 82 ILE HD13 . 26052 1 888 . 1 1 82 82 ILE C C 13 177.292 0.01 . 1 . 647 . A 82 ILE C . 26052 1 889 . 1 1 82 82 ILE CA C 13 66.089 0.033 . 1 . 648 . A 82 ILE CA . 26052 1 890 . 1 1 82 82 ILE CB C 13 38.261 0.048 . 1 . 649 . A 82 ILE CB . 26052 1 891 . 1 1 82 82 ILE CG1 C 13 29.410 0.035 . 1 . 997 . A 82 ILE CG1 . 26052 1 892 . 1 1 82 82 ILE CG2 C 13 15.416 0.001 . 1 . 995 . A 82 ILE CG2 . 26052 1 893 . 1 1 82 82 ILE CD1 C 13 14.891 0.005 . 1 . 650 . A 82 ILE CD1 . 26052 1 894 . 1 1 82 82 ILE N N 15 117.940 0.04 . 1 . 24 . A 82 ILE N . 26052 1 895 . 1 1 83 83 LYS H H 1 7.725 0.002 . 1 . 117 . A 83 LYS H . 26052 1 896 . 1 1 83 83 LYS HA H 1 3.984 0.001 . 1 . 982 . A 83 LYS HA . 26052 1 897 . 1 1 83 83 LYS HB2 H 1 1.857 0.001 . 2 . 983 . A 83 LYS HB2 . 26052 1 898 . 1 1 83 83 LYS HB3 H 1 1.857 0.001 . 2 . 984 . A 83 LYS HB3 . 26052 1 899 . 1 1 83 83 LYS HG2 H 1 1.418 0.01 . 2 . 985 . A 83 LYS HG2 . 26052 1 900 . 1 1 83 83 LYS HG3 H 1 1.471 0.01 . 2 . 986 . A 83 LYS HG3 . 26052 1 901 . 1 1 83 83 LYS HD2 H 1 1.607 0.0 . 2 . 987 . A 83 LYS HD2 . 26052 1 902 . 1 1 83 83 LYS HD3 H 1 1.734 0.008 . 2 . 988 . A 83 LYS HD3 . 26052 1 903 . 1 1 83 83 LYS HE2 H 1 3.008 0.002 . 1 . 990 . A 83 LYS HE2 . 26052 1 904 . 1 1 83 83 LYS HE3 H 1 3.008 0.002 . 1 . 991 . A 83 LYS HE3 . 26052 1 905 . 1 1 83 83 LYS C C 13 177.833 0.014 . 1 . 616 . A 83 LYS C . 26052 1 906 . 1 1 83 83 LYS CA C 13 58.982 0.031 . 1 . 643 . A 83 LYS CA . 26052 1 907 . 1 1 83 83 LYS CB C 13 32.170 0.05 . 1 . 644 . A 83 LYS CB . 26052 1 908 . 1 1 83 83 LYS CG C 13 25.025 0.069 . 1 . 646 . A 83 LYS CG . 26052 1 909 . 1 1 83 83 LYS CD C 13 29.072 0.039 . 1 . 645 . A 83 LYS CD . 26052 1 910 . 1 1 83 83 LYS CE C 13 42.292 0.1 . 1 . 989 . A 83 LYS CE . 26052 1 911 . 1 1 83 83 LYS N N 15 118.112 0.055 . 1 . 118 . A 83 LYS N . 26052 1 912 . 1 1 84 84 ALA H H 1 7.646 0.002 . 1 . 205 . A 84 ALA H . 26052 1 913 . 1 1 84 84 ALA HA H 1 4.229 0.001 . 1 . 981 . A 84 ALA HA . 26052 1 914 . 1 1 84 84 ALA HB1 H 1 1.459 0.001 . 1 . 980 . A 84 ALA HB1 . 26052 1 915 . 1 1 84 84 ALA HB2 H 1 1.459 0.001 . 1 . 980 . A 84 ALA HB2 . 26052 1 916 . 1 1 84 84 ALA HB3 H 1 1.459 0.001 . 1 . 980 . A 84 ALA HB3 . 26052 1 917 . 1 1 84 84 ALA C C 13 179.685 0.01 . 1 . 615 . A 84 ALA C . 26052 1 918 . 1 1 84 84 ALA CA C 13 55.142 0.018 . 1 . 614 . A 84 ALA CA . 26052 1 919 . 1 1 84 84 ALA CB C 13 19.119 0.06 . 1 . 613 . A 84 ALA CB . 26052 1 920 . 1 1 84 84 ALA N N 15 119.324 0.039 . 1 . 206 . A 84 ALA N . 26052 1 921 . 1 1 85 85 ILE H H 1 7.680 0.002 . 1 . 249 . A 85 ILE H . 26052 1 922 . 1 1 85 85 ILE HA H 1 3.503 0.002 . 1 . 973 . A 85 ILE HA . 26052 1 923 . 1 1 85 85 ILE HB H 1 1.908 0.002 . 1 . 974 . A 85 ILE HB . 26052 1 924 . 1 1 85 85 ILE HG12 H 1 0.889 0.003 . 2 . 975 . A 85 ILE HG12 . 26052 1 925 . 1 1 85 85 ILE HG13 H 1 2.103 0.001 . 2 . 976 . A 85 ILE HG13 . 26052 1 926 . 1 1 85 85 ILE HG21 H 1 1.132 0.003 . 1 . 977 . A 85 ILE HG21 . 26052 1 927 . 1 1 85 85 ILE HG22 H 1 1.132 0.003 . 1 . 977 . A 85 ILE HG22 . 26052 1 928 . 1 1 85 85 ILE HG23 H 1 1.132 0.003 . 1 . 977 . A 85 ILE HG23 . 26052 1 929 . 1 1 85 85 ILE HD11 H 1 1.123 0.003 . 1 . 979 . A 85 ILE HD11 . 26052 1 930 . 1 1 85 85 ILE HD12 H 1 1.123 0.003 . 1 . 979 . A 85 ILE HD12 . 26052 1 931 . 1 1 85 85 ILE HD13 H 1 1.123 0.003 . 1 . 979 . A 85 ILE HD13 . 26052 1 932 . 1 1 85 85 ILE C C 13 178.218 0.009 . 1 . 617 . A 85 ILE C . 26052 1 933 . 1 1 85 85 ILE CA C 13 65.900 0.084 . 1 . 612 . A 85 ILE CA . 26052 1 934 . 1 1 85 85 ILE CB C 13 38.569 0.012 . 1 . 611 . A 85 ILE CB . 26052 1 935 . 1 1 85 85 ILE CG1 C 13 30.723 0.056 . 1 . 623 . A 85 ILE CG1 . 26052 1 936 . 1 1 85 85 ILE CG2 C 13 18.231 0.023 . 1 . 622 . A 85 ILE CG2 . 26052 1 937 . 1 1 85 85 ILE CD1 C 13 15.421 0.002 . 1 . 978 . A 85 ILE CD1 . 26052 1 938 . 1 1 85 85 ILE N N 15 116.791 0.051 . 1 . 250 . A 85 ILE N . 26052 1 939 . 1 1 86 86 GLN H H 1 8.798 0.002 . 1 . 167 . A 86 GLN H . 26052 1 940 . 1 1 86 86 GLN HA H 1 4.218 0.001 . 1 . 972 . A 86 GLN HA . 26052 1 941 . 1 1 86 86 GLN HB2 H 1 1.975 0.002 . 2 . 970 . A 86 GLN HB2 . 26052 1 942 . 1 1 86 86 GLN HB3 H 1 2.330 0.01 . 2 . 971 . A 86 GLN HB3 . 26052 1 943 . 1 1 86 86 GLN HG2 H 1 2.386 0.0 . 2 . 968 . A 86 GLN HG2 . 26052 1 944 . 1 1 86 86 GLN HG3 H 1 2.489 0.002 . 2 . 969 . A 86 GLN HG3 . 26052 1 945 . 1 1 86 86 GLN HE21 H 1 6.805 0.01 . 1 . 1370 . A 86 GLN HE21 . 26052 1 946 . 1 1 86 86 GLN HE22 H 1 7.412 0.01 . 1 . 1371 . A 86 GLN HE22 . 26052 1 947 . 1 1 86 86 GLN C C 13 179.997 0.014 . 1 . 618 . A 86 GLN C . 26052 1 948 . 1 1 86 86 GLN CA C 13 59.652 0.116 . 1 . 610 . A 86 GLN CA . 26052 1 949 . 1 1 86 86 GLN CB C 13 28.965 0.042 . 1 . 609 . A 86 GLN CB . 26052 1 950 . 1 1 86 86 GLN CG C 13 35.005 0.011 . 1 . 624 . A 86 GLN CG . 26052 1 951 . 1 1 86 86 GLN N N 15 118.075 0.048 . 1 . 168 . A 86 GLN N . 26052 1 952 . 1 1 86 86 GLN NE2 N 15 111.396 0.001 . 1 . 1369 . A 86 GLN NE2 . 26052 1 953 . 1 1 87 87 ASP H H 1 9.013 0.001 . 1 . 189 . A 87 ASP H . 26052 1 954 . 1 1 87 87 ASP HA H 1 4.477 0.002 . 1 . 967 . A 87 ASP HA . 26052 1 955 . 1 1 87 87 ASP HB2 H 1 2.927 0.003 . 2 . 965 . A 87 ASP HB2 . 26052 1 956 . 1 1 87 87 ASP HB3 H 1 2.682 0.005 . 2 . 966 . A 87 ASP HB3 . 26052 1 957 . 1 1 87 87 ASP C C 13 179.200 0.007 . 1 . 619 . A 87 ASP C . 26052 1 958 . 1 1 87 87 ASP CA C 13 57.578 0.019 . 1 . 608 . A 87 ASP CA . 26052 1 959 . 1 1 87 87 ASP CB C 13 40.216 0.043 . 1 . 607 . A 87 ASP CB . 26052 1 960 . 1 1 87 87 ASP N N 15 120.867 0.108 . 1 . 190 . A 87 ASP N . 26052 1 961 . 1 1 88 88 VAL H H 1 8.012 0.003 . 1 . 59 . A 88 VAL H . 26052 1 962 . 1 1 88 88 VAL HA H 1 4.084 0.002 . 1 . 960 . A 88 VAL HA . 26052 1 963 . 1 1 88 88 VAL HB H 1 2.243 0.001 . 1 . 961 . A 88 VAL HB . 26052 1 964 . 1 1 88 88 VAL HG11 H 1 1.354 0.001 . 2 . 962 . A 88 VAL HG11 . 26052 1 965 . 1 1 88 88 VAL HG12 H 1 1.354 0.001 . 2 . 962 . A 88 VAL HG12 . 26052 1 966 . 1 1 88 88 VAL HG13 H 1 1.354 0.001 . 2 . 962 . A 88 VAL HG13 . 26052 1 967 . 1 1 88 88 VAL HG21 H 1 1.169 0.003 . 2 . 964 . A 88 VAL HG21 . 26052 1 968 . 1 1 88 88 VAL HG22 H 1 1.169 0.003 . 2 . 964 . A 88 VAL HG22 . 26052 1 969 . 1 1 88 88 VAL HG23 H 1 1.169 0.003 . 2 . 964 . A 88 VAL HG23 . 26052 1 970 . 1 1 88 88 VAL C C 13 178.645 0.003 . 1 . 620 . A 88 VAL C . 26052 1 971 . 1 1 88 88 VAL CA C 13 67.470 0.008 . 1 . 605 . A 88 VAL CA . 26052 1 972 . 1 1 88 88 VAL CB C 13 31.833 0.005 . 1 . 606 . A 88 VAL CB . 26052 1 973 . 1 1 88 88 VAL CG1 C 13 25.311 0.067 . 2 . 625 . A 88 VAL CG1 . 26052 1 974 . 1 1 88 88 VAL CG2 C 13 22.511 0.022 . 2 . 963 . A 88 VAL CG2 . 26052 1 975 . 1 1 88 88 VAL N N 15 120.736 0.041 . 1 . 60 . A 88 VAL N . 26052 1 976 . 1 1 89 89 ASN H H 1 9.055 0.003 . 1 . 203 . A 89 ASN H . 26052 1 977 . 1 1 89 89 ASN HA H 1 4.872 0.006 . 1 . 959 . A 89 ASN HA . 26052 1 978 . 1 1 89 89 ASN HB2 H 1 3.295 0.001 . 2 . 957 . A 89 ASN HB2 . 26052 1 979 . 1 1 89 89 ASN HB3 H 1 2.754 0.006 . 2 . 958 . A 89 ASN HB3 . 26052 1 980 . 1 1 89 89 ASN HD21 H 1 8.250 0.01 . 1 . 1358 . A 89 ASN HD21 . 26052 1 981 . 1 1 89 89 ASN HD22 H 1 7.639 0.01 . 1 . 1359 . A 89 ASN HD22 . 26052 1 982 . 1 1 89 89 ASN C C 13 177.996 0.02 . 1 . 621 . A 89 ASN C . 26052 1 983 . 1 1 89 89 ASN CA C 13 55.812 0.054 . 1 . 604 . A 89 ASN CA . 26052 1 984 . 1 1 89 89 ASN CB C 13 37.751 0.051 . 1 . 603 . A 89 ASN CB . 26052 1 985 . 1 1 89 89 ASN N N 15 118.118 0.054 . 1 . 204 . A 89 ASN N . 26052 1 986 . 1 1 89 89 ASN ND2 N 15 109.719 0.003 . 1 . 1357 . A 89 ASN ND2 . 26052 1 987 . 1 1 90 90 ALA H H 1 8.035 0.002 . 1 . 17 . A 90 ALA H . 26052 1 988 . 1 1 90 90 ALA HA H 1 4.346 0.0 . 1 . 956 . A 90 ALA HA . 26052 1 989 . 1 1 90 90 ALA HB1 H 1 1.594 0.001 . 1 . 955 . A 90 ALA HB1 . 26052 1 990 . 1 1 90 90 ALA HB2 H 1 1.594 0.001 . 1 . 955 . A 90 ALA HB2 . 26052 1 991 . 1 1 90 90 ALA HB3 H 1 1.594 0.001 . 1 . 955 . A 90 ALA HB3 . 26052 1 992 . 1 1 90 90 ALA C C 13 177.937 0.001 . 1 . 628 . A 90 ALA C . 26052 1 993 . 1 1 90 90 ALA CA C 13 53.764 0.041 . 1 . 626 . A 90 ALA CA . 26052 1 994 . 1 1 90 90 ALA CB C 13 18.240 0.028 . 1 . 627 . A 90 ALA CB . 26052 1 995 . 1 1 90 90 ALA N N 15 120.170 0.05 . 1 . 18 . A 90 ALA N . 26052 1 996 . 1 1 91 91 GLN H H 1 7.965 0.002 . 1 . 207 . A 91 GLN H . 26052 1 997 . 1 1 91 91 GLN HA H 1 4.153 0.01 . 1 . 950 . A 91 GLN HA . 26052 1 998 . 1 1 91 91 GLN HB2 H 1 1.799 0.001 . 2 . 953 . A 91 GLN HB2 . 26052 1 999 . 1 1 91 91 GLN HB3 H 1 1.800 0.003 . 2 . 954 . A 91 GLN HB3 . 26052 1 1000 . 1 1 91 91 GLN HG2 H 1 2.717 0.001 . 2 . 951 . A 91 GLN HG2 . 26052 1 1001 . 1 1 91 91 GLN HG3 H 1 1.688 0.0 . 2 . 952 . A 91 GLN HG3 . 26052 1 1002 . 1 1 91 91 GLN HE21 H 1 6.630 0.01 . 1 . 1388 . A 91 GLN HE21 . 26052 1 1003 . 1 1 91 91 GLN HE22 H 1 7.565 0.01 . 1 . 1389 . A 91 GLN HE22 . 26052 1 1004 . 1 1 91 91 GLN C C 13 173.995 0.013 . 1 . 629 . A 91 GLN C . 26052 1 1005 . 1 1 91 91 GLN CA C 13 54.014 0.014 . 1 . 630 . A 91 GLN CA . 26052 1 1006 . 1 1 91 91 GLN CB C 13 27.884 0.059 . 1 . 631 . A 91 GLN CB . 26052 1 1007 . 1 1 91 91 GLN CG C 13 32.209 0.044 . 1 . 635 . A 91 GLN CG . 26052 1 1008 . 1 1 91 91 GLN N N 15 114.595 0.101 . 1 . 208 . A 91 GLN N . 26052 1 1009 . 1 1 91 91 GLN NE2 N 15 114.916 0.008 . 1 . 1387 . A 91 GLN NE2 . 26052 1 1010 . 1 1 92 92 PHE H H 1 7.644 0.002 . 1 . 225 . A 92 PHE H . 26052 1 1011 . 1 1 92 92 PHE HA H 1 5.013 0.001 . 1 . 949 . A 92 PHE HA . 26052 1 1012 . 1 1 92 92 PHE HB2 H 1 3.362 0.001 . 2 . 947 . A 92 PHE HB2 . 26052 1 1013 . 1 1 92 92 PHE HB3 H 1 3.129 0.001 . 2 . 948 . A 92 PHE HB3 . 26052 1 1014 . 1 1 92 92 PHE HD1 H 1 7.401 0.01 . 1 . 1331 . A 92 PHE HD1 . 26052 1 1015 . 1 1 92 92 PHE HD2 H 1 7.401 0.01 . 1 . 1331 . A 92 PHE HD2 . 26052 1 1016 . 1 1 92 92 PHE HE1 H 1 7.240 0.009 . 1 . 1349 . A 92 PHE HE1 . 26052 1 1017 . 1 1 92 92 PHE HE2 H 1 7.240 0.009 . 1 . 1349 . A 92 PHE HE2 . 26052 1 1018 . 1 1 92 92 PHE HZ H 1 7.527 0.01 . 1 . 1351 . A 92 PHE HZ . 26052 1 1019 . 1 1 92 92 PHE C C 13 176.130 0.014 . 1 . 632 . A 92 PHE C . 26052 1 1020 . 1 1 92 92 PHE CA C 13 56.879 0.043 . 1 . 634 . A 92 PHE CA . 26052 1 1021 . 1 1 92 92 PHE CB C 13 43.675 0.043 . 1 . 633 . A 92 PHE CB . 26052 1 1022 . 1 1 92 92 PHE CD1 C 13 132.856 0.1 . 1 . 1330 . A 92 PHE CD1 . 26052 1 1023 . 1 1 92 92 PHE CD2 C 13 132.856 0.1 . 1 . 1330 . A 92 PHE CD2 . 26052 1 1024 . 1 1 92 92 PHE CE1 C 13 130.967 0.1 . 1 . 1348 . A 92 PHE CE1 . 26052 1 1025 . 1 1 92 92 PHE CE2 C 13 130.967 0.1 . 1 . 1348 . A 92 PHE CE2 . 26052 1 1026 . 1 1 92 92 PHE CZ C 13 130.389 0.1 . 1 . 1350 . A 92 PHE CZ . 26052 1 1027 . 1 1 92 92 PHE N N 15 116.259 0.052 . 1 . 226 . A 92 PHE N . 26052 1 1028 . 1 1 93 93 GLU H H 1 9.119 0.002 . 1 . 137 . A 93 GLU H . 26052 1 1029 . 1 1 93 93 GLU HA H 1 3.969 0.003 . 1 . 946 . A 93 GLU HA . 26052 1 1030 . 1 1 93 93 GLU HB2 H 1 2.182 0.01 . 2 . 942 . A 93 GLU HB2 . 26052 1 1031 . 1 1 93 93 GLU HB3 H 1 2.095 0.001 . 2 . 943 . A 93 GLU HB3 . 26052 1 1032 . 1 1 93 93 GLU HG2 H 1 2.432 0.001 . 2 . 944 . A 93 GLU HG2 . 26052 1 1033 . 1 1 93 93 GLU HG3 H 1 2.258 0.01 . 2 . 945 . A 93 GLU HG3 . 26052 1 1034 . 1 1 93 93 GLU C C 13 177.009 0.01 . 1 . 636 . A 93 GLU C . 26052 1 1035 . 1 1 93 93 GLU CA C 13 59.597 0.058 . 1 . 638 . A 93 GLU CA . 26052 1 1036 . 1 1 93 93 GLU CB C 13 30.151 0.127 . 1 . 637 . A 93 GLU CB . 26052 1 1037 . 1 1 93 93 GLU CG C 13 36.410 0.016 . 1 . 640 . A 93 GLU CG . 26052 1 1038 . 1 1 93 93 GLU N N 15 119.777 0.045 . 1 . 138 . A 93 GLU N . 26052 1 1039 . 1 1 94 94 LYS H H 1 8.040 0.001 . 1 . 83 . A 94 LYS H . 26052 1 1040 . 1 1 94 94 LYS HA H 1 4.623 0.002 . 1 . 939 . A 94 LYS HA . 26052 1 1041 . 1 1 94 94 LYS HB2 H 1 1.825 0.003 . 2 . 940 . A 94 LYS HB2 . 26052 1 1042 . 1 1 94 94 LYS HB3 H 1 1.706 0.002 . 2 . 941 . A 94 LYS HB3 . 26052 1 1043 . 1 1 94 94 LYS C C 13 172.619 0.1 . 1 . 639 . A 94 LYS C . 26052 1 1044 . 1 1 94 94 LYS CA C 13 53.159 0.124 . 1 . 642 . A 94 LYS CA . 26052 1 1045 . 1 1 94 94 LYS CB C 13 33.360 0.009 . 1 . 641 . A 94 LYS CB . 26052 1 1046 . 1 1 94 94 LYS N N 15 117.044 0.049 . 1 . 84 . A 94 LYS N . 26052 1 1047 . 1 1 95 95 PRO HA H 1 3.726 0.001 . 1 . 931 . A 95 PRO HA . 26052 1 1048 . 1 1 95 95 PRO HB2 H 1 1.607 0.0 . 2 . 935 . A 95 PRO HB2 . 26052 1 1049 . 1 1 95 95 PRO HB3 H 1 2.028 0.001 . 2 . 936 . A 95 PRO HB3 . 26052 1 1050 . 1 1 95 95 PRO HG2 H 1 2.065 0.01 . 2 . 937 . A 95 PRO HG2 . 26052 1 1051 . 1 1 95 95 PRO HG3 H 1 1.967 0.001 . 2 . 938 . A 95 PRO HG3 . 26052 1 1052 . 1 1 95 95 PRO HD2 H 1 3.696 0.001 . 2 . 933 . A 95 PRO HD2 . 26052 1 1053 . 1 1 95 95 PRO HD3 H 1 3.515 0.002 . 2 . 934 . A 95 PRO HD3 . 26052 1 1054 . 1 1 95 95 PRO C C 13 175.402 0.006 . 1 . 320 . A 95 PRO C . 26052 1 1055 . 1 1 95 95 PRO CA C 13 65.247 0.044 . 1 . 322 . A 95 PRO CA . 26052 1 1056 . 1 1 95 95 PRO CB C 13 31.874 0.023 . 1 . 321 . A 95 PRO CB . 26052 1 1057 . 1 1 95 95 PRO CG C 13 27.896 0.036 . 1 . 323 . A 95 PRO CG . 26052 1 1058 . 1 1 95 95 PRO CD C 13 49.464 0.006 . 1 . 932 . A 95 PRO CD . 26052 1 1059 . 1 1 96 96 ALA H H 1 6.716 0.001 . 1 . 113 . A 96 ALA H . 26052 1 1060 . 1 1 96 96 ALA HA H 1 4.096 0.003 . 1 . 929 . A 96 ALA HA . 26052 1 1061 . 1 1 96 96 ALA HB1 H 1 0.443 0.001 . 1 . 930 . A 96 ALA HB1 . 26052 1 1062 . 1 1 96 96 ALA HB2 H 1 0.443 0.001 . 1 . 930 . A 96 ALA HB2 . 26052 1 1063 . 1 1 96 96 ALA HB3 H 1 0.443 0.001 . 1 . 930 . A 96 ALA HB3 . 26052 1 1064 . 1 1 96 96 ALA C C 13 176.576 0.019 . 1 . 319 . A 96 ALA C . 26052 1 1065 . 1 1 96 96 ALA CA C 13 53.502 0.056 . 1 . 317 . A 96 ALA CA . 26052 1 1066 . 1 1 96 96 ALA CB C 13 18.806 0.021 . 1 . 318 . A 96 ALA CB . 26052 1 1067 . 1 1 96 96 ALA N N 15 126.621 0.058 . 1 . 114 . A 96 ALA N . 26052 1 1068 . 1 1 97 97 ILE H H 1 9.007 0.001 . 1 . 235 . A 97 ILE H . 26052 1 1069 . 1 1 97 97 ILE HA H 1 4.473 0.01 . 1 . 923 . A 97 ILE HA . 26052 1 1070 . 1 1 97 97 ILE HB H 1 1.763 0.003 . 1 . 924 . A 97 ILE HB . 26052 1 1071 . 1 1 97 97 ILE HG12 H 1 1.384 0.003 . 2 . 925 . A 97 ILE HG12 . 26052 1 1072 . 1 1 97 97 ILE HG13 H 1 0.615 0.003 . 2 . 926 . A 97 ILE HG13 . 26052 1 1073 . 1 1 97 97 ILE HG21 H 1 0.672 0.01 . 1 . 927 . A 97 ILE HG21 . 26052 1 1074 . 1 1 97 97 ILE HG22 H 1 0.672 0.01 . 1 . 927 . A 97 ILE HG22 . 26052 1 1075 . 1 1 97 97 ILE HG23 H 1 0.672 0.01 . 1 . 927 . A 97 ILE HG23 . 26052 1 1076 . 1 1 97 97 ILE HD11 H 1 0.815 0.015 . 1 . 928 . A 97 ILE HD11 . 26052 1 1077 . 1 1 97 97 ILE HD12 H 1 0.815 0.015 . 1 . 928 . A 97 ILE HD12 . 26052 1 1078 . 1 1 97 97 ILE HD13 H 1 0.815 0.015 . 1 . 928 . A 97 ILE HD13 . 26052 1 1079 . 1 1 97 97 ILE C C 13 175.908 0.017 . 1 . 313 . A 97 ILE C . 26052 1 1080 . 1 1 97 97 ILE CA C 13 60.586 0.032 . 1 . 312 . A 97 ILE CA . 26052 1 1081 . 1 1 97 97 ILE CB C 13 39.335 0.036 . 1 . 311 . A 97 ILE CB . 26052 1 1082 . 1 1 97 97 ILE CG1 C 13 27.566 0.024 . 1 . 314 . A 97 ILE CG1 . 26052 1 1083 . 1 1 97 97 ILE CG2 C 13 16.946 0.045 . 1 . 315 . A 97 ILE CG2 . 26052 1 1084 . 1 1 97 97 ILE CD1 C 13 15.233 0.002 . 1 . 316 . A 97 ILE CD1 . 26052 1 1085 . 1 1 97 97 ILE N N 15 117.560 0.046 . 1 . 236 . A 97 ILE N . 26052 1 1086 . 1 1 98 98 VAL H H 1 8.299 0.002 . 1 . 175 . A 98 VAL H . 26052 1 1087 . 1 1 98 98 VAL HA H 1 4.108 0.001 . 1 . 921 . A 98 VAL HA . 26052 1 1088 . 1 1 98 98 VAL HB H 1 1.914 0.0 . 1 . 922 . A 98 VAL HB . 26052 1 1089 . 1 1 98 98 VAL HG11 H 1 0.701 0.01 . 2 . 920 . A 98 VAL HG11 . 26052 1 1090 . 1 1 98 98 VAL HG12 H 1 0.701 0.01 . 2 . 920 . A 98 VAL HG12 . 26052 1 1091 . 1 1 98 98 VAL HG13 H 1 0.701 0.01 . 2 . 920 . A 98 VAL HG13 . 26052 1 1092 . 1 1 98 98 VAL HG21 H 1 0.709 0.0 . 2 . 1404 . A 98 VAL HG21 . 26052 1 1093 . 1 1 98 98 VAL HG22 H 1 0.709 0.0 . 2 . 1404 . A 98 VAL HG22 . 26052 1 1094 . 1 1 98 98 VAL HG23 H 1 0.709 0.0 . 2 . 1404 . A 98 VAL HG23 . 26052 1 1095 . 1 1 98 98 VAL C C 13 175.243 0.012 . 1 . 308 . A 98 VAL C . 26052 1 1096 . 1 1 98 98 VAL CA C 13 61.879 0.016 . 1 . 307 . A 98 VAL CA . 26052 1 1097 . 1 1 98 98 VAL CB C 13 34.175 0.033 . 1 . 306 . A 98 VAL CB . 26052 1 1098 . 1 1 98 98 VAL CG1 C 13 21.145 0.01 . 2 . 309 . A 98 VAL CG1 . 26052 1 1099 . 1 1 98 98 VAL CG2 C 13 20.830 0.001 . 2 . 310 . A 98 VAL CG2 . 26052 1 1100 . 1 1 98 98 VAL N N 15 126.579 0.056 . 1 . 176 . A 98 VAL N . 26052 1 1101 . 1 1 99 99 ASP H H 1 9.068 0.002 . 1 . 45 . A 99 ASP H . 26052 1 1102 . 1 1 99 99 ASP HA H 1 4.935 0.002 . 1 . 919 . A 99 ASP HA . 26052 1 1103 . 1 1 99 99 ASP HB2 H 1 2.696 0.001 . 2 . 917 . A 99 ASP HB2 . 26052 1 1104 . 1 1 99 99 ASP HB3 H 1 2.774 0.01 . 2 . 918 . A 99 ASP HB3 . 26052 1 1105 . 1 1 99 99 ASP C C 13 176.225 0.011 . 1 . 288 . A 99 ASP C . 26052 1 1106 . 1 1 99 99 ASP CA C 13 54.369 0.021 . 1 . 286 . A 99 ASP CA . 26052 1 1107 . 1 1 99 99 ASP CB C 13 38.127 0.053 . 1 . 287 . A 99 ASP CB . 26052 1 1108 . 1 1 99 99 ASP N N 15 132.227 0.055 . 1 . 46 . A 99 ASP N . 26052 1 1109 . 1 1 100 100 GLY H H 1 8.504 0.001 . 1 . 229 . A 100 GLY H . 26052 1 1110 . 1 1 100 100 GLY HA2 H 1 4.150 0.001 . 2 . 915 . A 100 GLY HA2 . 26052 1 1111 . 1 1 100 100 GLY HA3 H 1 3.521 0.002 . 2 . 916 . A 100 GLY HA3 . 26052 1 1112 . 1 1 100 100 GLY C C 13 172.768 0.019 . 1 . 289 . A 100 GLY C . 26052 1 1113 . 1 1 100 100 GLY CA C 13 45.744 0.018 . 1 . 285 . A 100 GLY CA . 26052 1 1114 . 1 1 100 100 GLY N N 15 100.802 0.014 . 1 . 230 . A 100 GLY N . 26052 1 1115 . 1 1 101 101 VAL H H 1 7.922 0.002 . 1 . 125 . A 101 VAL H . 26052 1 1116 . 1 1 101 101 VAL HA H 1 4.101 0.001 . 1 . 912 . A 101 VAL HA . 26052 1 1117 . 1 1 101 101 VAL HB H 1 2.106 0.001 . 1 . 913 . A 101 VAL HB . 26052 1 1118 . 1 1 101 101 VAL HG11 H 1 0.887 0.001 . 2 . 914 . A 101 VAL HG11 . 26052 1 1119 . 1 1 101 101 VAL HG12 H 1 0.887 0.001 . 2 . 914 . A 101 VAL HG12 . 26052 1 1120 . 1 1 101 101 VAL HG13 H 1 0.887 0.001 . 2 . 914 . A 101 VAL HG13 . 26052 1 1121 . 1 1 101 101 VAL HG21 H 1 0.891 0.01 . 2 . 1403 . A 101 VAL HG21 . 26052 1 1122 . 1 1 101 101 VAL HG22 H 1 0.891 0.01 . 2 . 1403 . A 101 VAL HG22 . 26052 1 1123 . 1 1 101 101 VAL HG23 H 1 0.891 0.01 . 2 . 1403 . A 101 VAL HG23 . 26052 1 1124 . 1 1 101 101 VAL C C 13 175.312 0.014 . 1 . 290 . A 101 VAL C . 26052 1 1125 . 1 1 101 101 VAL CA C 13 61.832 0.016 . 1 . 283 . A 101 VAL CA . 26052 1 1126 . 1 1 101 101 VAL CB C 13 33.493 0.029 . 1 . 284 . A 101 VAL CB . 26052 1 1127 . 1 1 101 101 VAL CG1 C 13 21.322 0.011 . 2 . 298 . A 101 VAL CG1 . 26052 1 1128 . 1 1 101 101 VAL CG2 C 13 20.922 0.1 . 2 . 1402 . A 101 VAL CG2 . 26052 1 1129 . 1 1 101 101 VAL N N 15 121.769 0.033 . 1 . 126 . A 101 VAL N . 26052 1 1130 . 1 1 102 102 LEU H H 1 8.564 0.002 . 1 . 183 . A 102 LEU H . 26052 1 1131 . 1 1 102 102 LEU HA H 1 4.770 0.0 . 1 . 907 . A 102 LEU HA . 26052 1 1132 . 1 1 102 102 LEU HB2 H 1 1.141 0.004 . 2 . 905 . A 102 LEU HB2 . 26052 1 1133 . 1 1 102 102 LEU HB3 H 1 1.795 0.003 . 2 . 906 . A 102 LEU HB3 . 26052 1 1134 . 1 1 102 102 LEU HG H 1 1.125 0.01 . 1 . 911 . A 102 LEU HG . 26052 1 1135 . 1 1 102 102 LEU HD11 H 1 0.622 0.004 . 2 . 908 . A 102 LEU HD11 . 26052 1 1136 . 1 1 102 102 LEU HD12 H 1 0.622 0.004 . 2 . 908 . A 102 LEU HD12 . 26052 1 1137 . 1 1 102 102 LEU HD13 H 1 0.622 0.004 . 2 . 908 . A 102 LEU HD13 . 26052 1 1138 . 1 1 102 102 LEU HD21 H 1 0.763 0.002 . 2 . 909 . A 102 LEU HD21 . 26052 1 1139 . 1 1 102 102 LEU HD22 H 1 0.763 0.002 . 2 . 909 . A 102 LEU HD22 . 26052 1 1140 . 1 1 102 102 LEU HD23 H 1 0.763 0.002 . 2 . 909 . A 102 LEU HD23 . 26052 1 1141 . 1 1 102 102 LEU C C 13 175.769 0.012 . 1 . 291 . A 102 LEU C . 26052 1 1142 . 1 1 102 102 LEU CA C 13 53.601 0.034 . 1 . 282 . A 102 LEU CA . 26052 1 1143 . 1 1 102 102 LEU CB C 13 43.774 0.073 . 1 . 281 . A 102 LEU CB . 26052 1 1144 . 1 1 102 102 LEU CG C 13 26.686 0.1 . 1 . 910 . A 102 LEU CG . 26052 1 1145 . 1 1 102 102 LEU CD1 C 13 23.739 0.016 . 2 . 300 . A 102 LEU CD1 . 26052 1 1146 . 1 1 102 102 LEU CD2 C 13 26.575 0.066 . 2 . 299 . A 102 LEU CD2 . 26052 1 1147 . 1 1 102 102 LEU N N 15 130.052 0.045 . 1 . 184 . A 102 LEU N . 26052 1 1148 . 1 1 103 103 ASP H H 1 9.166 0.002 . 1 . 123 . A 103 ASP H . 26052 1 1149 . 1 1 103 103 ASP HA H 1 4.674 0.003 . 1 . 904 . A 103 ASP HA . 26052 1 1150 . 1 1 103 103 ASP HB2 H 1 2.698 0.001 . 2 . 902 . A 103 ASP HB2 . 26052 1 1151 . 1 1 103 103 ASP HB3 H 1 2.873 0.003 . 2 . 903 . A 103 ASP HB3 . 26052 1 1152 . 1 1 103 103 ASP C C 13 176.683 0.01 . 1 . 292 . A 103 ASP C . 26052 1 1153 . 1 1 103 103 ASP CA C 13 52.799 0.087 . 1 . 280 . A 103 ASP CA . 26052 1 1154 . 1 1 103 103 ASP CB C 13 40.299 0.061 . 1 . 279 . A 103 ASP CB . 26052 1 1155 . 1 1 103 103 ASP N N 15 127.869 0.032 . 1 . 124 . A 103 ASP N . 26052 1 1156 . 1 1 104 104 THR H H 1 8.011 0.001 . 1 . 251 . A 104 THR H . 26052 1 1157 . 1 1 104 104 THR HA H 1 3.997 0.001 . 1 . 900 . A 104 THR HA . 26052 1 1158 . 1 1 104 104 THR HB H 1 4.464 0.002 . 1 . 901 . A 104 THR HB . 26052 1 1159 . 1 1 104 104 THR HG21 H 1 1.249 0.001 . 1 . 899 . A 104 THR HG21 . 26052 1 1160 . 1 1 104 104 THR HG22 H 1 1.249 0.001 . 1 . 899 . A 104 THR HG22 . 26052 1 1161 . 1 1 104 104 THR HG23 H 1 1.249 0.001 . 1 . 899 . A 104 THR HG23 . 26052 1 1162 . 1 1 104 104 THR C C 13 175.004 0.017 . 1 . 293 . A 104 THR C . 26052 1 1163 . 1 1 104 104 THR CA C 13 63.771 0.052 . 1 . 277 . A 104 THR CA . 26052 1 1164 . 1 1 104 104 THR CB C 13 67.887 0.073 . 1 . 278 . A 104 THR CB . 26052 1 1165 . 1 1 104 104 THR CG2 C 13 22.246 0.049 . 1 . 301 . A 104 THR CG2 . 26052 1 1166 . 1 1 104 104 THR N N 15 116.105 0.064 . 1 . 252 . A 104 THR N . 26052 1 1167 . 1 1 105 105 ASN H H 1 8.514 0.001 . 1 . 21 . A 105 ASN H . 26052 1 1168 . 1 1 105 105 ASN HA H 1 4.921 0.002 . 1 . 898 . A 105 ASN HA . 26052 1 1169 . 1 1 105 105 ASN HB2 H 1 2.945 0.001 . 2 . 896 . A 105 ASN HB2 . 26052 1 1170 . 1 1 105 105 ASN HB3 H 1 2.763 0.002 . 2 . 897 . A 105 ASN HB3 . 26052 1 1171 . 1 1 105 105 ASN HD21 H 1 6.945 0.01 . 1 . 1390 . A 105 ASN HD21 . 26052 1 1172 . 1 1 105 105 ASN HD22 H 1 7.777 0.01 . 1 . 1392 . A 105 ASN HD22 . 26052 1 1173 . 1 1 105 105 ASN C C 13 174.929 0.015 . 1 . 294 . A 105 ASN C . 26052 1 1174 . 1 1 105 105 ASN CA C 13 52.856 0.02 . 1 . 276 . A 105 ASN CA . 26052 1 1175 . 1 1 105 105 ASN CB C 13 39.180 0.05 . 1 . 275 . A 105 ASN CB . 26052 1 1176 . 1 1 105 105 ASN N N 15 119.049 0.02 . 1 . 22 . A 105 ASN N . 26052 1 1177 . 1 1 105 105 ASN ND2 N 15 114.896 0.005 . 1 . 1391 . A 105 ASN ND2 . 26052 1 1178 . 1 1 106 106 ALA H H 1 7.276 0.002 . 1 . 3 . A 106 ALA H . 26052 1 1179 . 1 1 106 106 ALA HA H 1 4.094 0.002 . 1 . 895 . A 106 ALA HA . 26052 1 1180 . 1 1 106 106 ALA HB1 H 1 1.201 0.0 . 1 . 894 . A 106 ALA HB1 . 26052 1 1181 . 1 1 106 106 ALA HB2 H 1 1.201 0.0 . 1 . 894 . A 106 ALA HB2 . 26052 1 1182 . 1 1 106 106 ALA HB3 H 1 1.201 0.0 . 1 . 894 . A 106 ALA HB3 . 26052 1 1183 . 1 1 106 106 ALA C C 13 176.557 0.009 . 1 . 295 . A 106 ALA C . 26052 1 1184 . 1 1 106 106 ALA CA C 13 53.528 0.056 . 1 . 274 . A 106 ALA CA . 26052 1 1185 . 1 1 106 106 ALA CB C 13 19.879 0.113 . 1 . 273 . A 106 ALA CB . 26052 1 1186 . 1 1 106 106 ALA N N 15 124.603 0.049 . 1 . 4 . A 106 ALA N . 26052 1 1187 . 1 1 107 107 LYS H H 1 9.007 0.004 . 1 . 127 . A 107 LYS H . 26052 1 1188 . 1 1 107 107 LYS HA H 1 4.721 0.002 . 1 . 886 . A 107 LYS HA . 26052 1 1189 . 1 1 107 107 LYS HB2 H 1 1.874 0.002 . 2 . 884 . A 107 LYS HB2 . 26052 1 1190 . 1 1 107 107 LYS HB3 H 1 1.773 0.004 . 2 . 885 . A 107 LYS HB3 . 26052 1 1191 . 1 1 107 107 LYS HG2 H 1 1.508 0.01 . 1 . 887 . A 107 LYS HG2 . 26052 1 1192 . 1 1 107 107 LYS HG3 H 1 1.508 0.01 . 1 . 888 . A 107 LYS HG3 . 26052 1 1193 . 1 1 107 107 LYS HD2 H 1 1.741 0.0 . 1 . 889 . A 107 LYS HD2 . 26052 1 1194 . 1 1 107 107 LYS HD3 H 1 1.741 0.0 . 1 . 890 . A 107 LYS HD3 . 26052 1 1195 . 1 1 107 107 LYS HE2 H 1 3.070 0.001 . 1 . 892 . A 107 LYS HE2 . 26052 1 1196 . 1 1 107 107 LYS HE3 H 1 3.070 0.001 . 1 . 893 . A 107 LYS HE3 . 26052 1 1197 . 1 1 107 107 LYS C C 13 175.232 0.015 . 1 . 296 . A 107 LYS C . 26052 1 1198 . 1 1 107 107 LYS CA C 13 54.592 0.038 . 1 . 271 . A 107 LYS CA . 26052 1 1199 . 1 1 107 107 LYS CB C 13 34.186 0.051 . 1 . 272 . A 107 LYS CB . 26052 1 1200 . 1 1 107 107 LYS CG C 13 24.480 0.102 . 1 . 304 . A 107 LYS CG . 26052 1 1201 . 1 1 107 107 LYS CD C 13 28.951 0.063 . 1 . 305 . A 107 LYS CD . 26052 1 1202 . 1 1 107 107 LYS CE C 13 42.449 0.016 . 1 . 891 . A 107 LYS CE . 26052 1 1203 . 1 1 107 107 LYS N N 15 122.798 0.044 . 1 . 128 . A 107 LYS N . 26052 1 1204 . 1 1 108 108 ALA H H 1 9.066 0.002 . 1 . 1 . A 108 ALA H . 26052 1 1205 . 1 1 108 108 ALA HA H 1 4.011 0.001 . 1 . 883 . A 108 ALA HA . 26052 1 1206 . 1 1 108 108 ALA HB1 H 1 1.210 0.003 . 1 . 882 . A 108 ALA HB1 . 26052 1 1207 . 1 1 108 108 ALA HB2 H 1 1.210 0.003 . 1 . 882 . A 108 ALA HB2 . 26052 1 1208 . 1 1 108 108 ALA HB3 H 1 1.210 0.003 . 1 . 882 . A 108 ALA HB3 . 26052 1 1209 . 1 1 108 108 ALA C C 13 178.576 0.012 . 1 . 297 . A 108 ALA C . 26052 1 1210 . 1 1 108 108 ALA CA C 13 52.527 0.061 . 1 . 302 . A 108 ALA CA . 26052 1 1211 . 1 1 108 108 ALA CB C 13 18.217 0.031 . 1 . 303 . A 108 ALA CB . 26052 1 1212 . 1 1 108 108 ALA N N 15 130.236 0.046 . 1 . 2 . A 108 ALA N . 26052 1 1213 . 1 1 109 109 LYS H H 1 8.815 0.001 . 1 . 145 . A 109 LYS H . 26052 1 1214 . 1 1 109 109 LYS HA H 1 4.246 0.002 . 1 . 874 . A 109 LYS HA . 26052 1 1215 . 1 1 109 109 LYS HB2 H 1 1.474 0.003 . 2 . 872 . A 109 LYS HB2 . 26052 1 1216 . 1 1 109 109 LYS HB3 H 1 1.892 0.003 . 2 . 873 . A 109 LYS HB3 . 26052 1 1217 . 1 1 109 109 LYS HG2 H 1 1.358 0.003 . 2 . 875 . A 109 LYS HG2 . 26052 1 1218 . 1 1 109 109 LYS HG3 H 1 1.074 0.001 . 2 . 876 . A 109 LYS HG3 . 26052 1 1219 . 1 1 109 109 LYS HE2 H 1 2.880 0.0 . 1 . 880 . A 109 LYS HE2 . 26052 1 1220 . 1 1 109 109 LYS HE3 H 1 2.880 0.0 . 1 . 881 . A 109 LYS HE3 . 26052 1 1221 . 1 1 109 109 LYS C C 13 178.376 0.019 . 1 . 324 . A 109 LYS C . 26052 1 1222 . 1 1 109 109 LYS CA C 13 56.931 0.027 . 1 . 325 . A 109 LYS CA . 26052 1 1223 . 1 1 109 109 LYS CB C 13 33.674 0.052 . 1 . 326 . A 109 LYS CB . 26052 1 1224 . 1 1 109 109 LYS CG C 13 26.067 0.115 . 1 . 328 . A 109 LYS CG . 26052 1 1225 . 1 1 109 109 LYS CE C 13 41.969 0.006 . 1 . 879 . A 109 LYS CE . 26052 1 1226 . 1 1 109 109 LYS N N 15 121.953 0.052 . 1 . 146 . A 109 LYS N . 26052 1 1227 . 1 1 110 110 SER H H 1 8.951 0.003 . 1 . 259 . A 110 SER H . 26052 1 1228 . 1 1 110 110 SER HA H 1 4.135 0.001 . 1 . 869 . A 110 SER HA . 26052 1 1229 . 1 1 110 110 SER HB2 H 1 3.927 0.002 . 1 . 870 . A 110 SER HB2 . 26052 1 1230 . 1 1 110 110 SER HB3 H 1 3.927 0.002 . 1 . 871 . A 110 SER HB3 . 26052 1 1231 . 1 1 110 110 SER C C 13 174.558 0.01 . 1 . 327 . A 110 SER C . 26052 1 1232 . 1 1 110 110 SER CA C 13 61.038 0.038 . 1 . 329 . A 110 SER CA . 26052 1 1233 . 1 1 110 110 SER CB C 13 62.756 0.095 . 1 . 330 . A 110 SER CB . 26052 1 1234 . 1 1 110 110 SER N N 15 117.652 0.075 . 1 . 260 . A 110 SER N . 26052 1 1235 . 1 1 111 111 ASP H H 1 8.225 0.002 . 1 . 61 . A 111 ASP H . 26052 1 1236 . 1 1 111 111 ASP HA H 1 4.626 0.002 . 1 . 868 . A 111 ASP HA . 26052 1 1237 . 1 1 111 111 ASP HB2 H 1 2.494 0.003 . 2 . 866 . A 111 ASP HB2 . 26052 1 1238 . 1 1 111 111 ASP HB3 H 1 2.815 0.006 . 2 . 867 . A 111 ASP HB3 . 26052 1 1239 . 1 1 111 111 ASP C C 13 175.400 0.01 . 1 . 331 . A 111 ASP C . 26052 1 1240 . 1 1 111 111 ASP CA C 13 52.211 0.059 . 1 . 333 . A 111 ASP CA . 26052 1 1241 . 1 1 111 111 ASP CB C 13 39.311 0.053 . 1 . 332 . A 111 ASP CB . 26052 1 1242 . 1 1 111 111 ASP N N 15 118.491 0.029 . 1 . 62 . A 111 ASP N . 26052 1 1243 . 1 1 112 112 ALA H H 1 7.028 0.003 . 1 . 13 . A 112 ALA H . 26052 1 1244 . 1 1 112 112 ALA HA H 1 4.030 0.0 . 1 . 865 . A 112 ALA HA . 26052 1 1245 . 1 1 112 112 ALA HB1 H 1 1.192 0.001 . 1 . 864 . A 112 ALA HB1 . 26052 1 1246 . 1 1 112 112 ALA HB2 H 1 1.192 0.001 . 1 . 864 . A 112 ALA HB2 . 26052 1 1247 . 1 1 112 112 ALA HB3 H 1 1.192 0.001 . 1 . 864 . A 112 ALA HB3 . 26052 1 1248 . 1 1 112 112 ALA C C 13 177.361 0.007 . 1 . 334 . A 112 ALA C . 26052 1 1249 . 1 1 112 112 ALA CA C 13 53.030 0.057 . 1 . 335 . A 112 ALA CA . 26052 1 1250 . 1 1 112 112 ALA CB C 13 20.313 0.053 . 1 . 336 . A 112 ALA CB . 26052 1 1251 . 1 1 112 112 ALA N N 15 121.589 0.043 . 1 . 14 . A 112 ALA N . 26052 1 1252 . 1 1 113 113 LYS H H 1 7.860 0.001 . 1 . 169 . A 113 LYS H . 26052 1 1253 . 1 1 113 113 LYS HA H 1 4.291 0.002 . 1 . 859 . A 113 LYS HA . 26052 1 1254 . 1 1 113 113 LYS HB2 H 1 1.587 0.001 . 2 . 857 . A 113 LYS HB2 . 26052 1 1255 . 1 1 113 113 LYS HB3 H 1 1.503 0.001 . 2 . 858 . A 113 LYS HB3 . 26052 1 1256 . 1 1 113 113 LYS HG2 H 1 1.321 0.003 . 2 . 860 . A 113 LYS HG2 . 26052 1 1257 . 1 1 113 113 LYS HG3 H 1 1.238 0.0 . 2 . 861 . A 113 LYS HG3 . 26052 1 1258 . 1 1 113 113 LYS C C 13 174.112 0.014 . 1 . 337 . A 113 LYS C . 26052 1 1259 . 1 1 113 113 LYS CA C 13 55.345 0.027 . 1 . 338 . A 113 LYS CA . 26052 1 1260 . 1 1 113 113 LYS CB C 13 34.623 0.022 . 1 . 339 . A 113 LYS CB . 26052 1 1261 . 1 1 113 113 LYS CG C 13 24.081 0.014 . 1 . 342 . A 113 LYS CG . 26052 1 1262 . 1 1 113 113 LYS CD C 13 28.850 0.1 . 1 . 341 . A 113 LYS CD . 26052 1 1263 . 1 1 113 113 LYS N N 15 122.670 0.044 . 1 . 170 . A 113 LYS N . 26052 1 1264 . 1 1 114 114 PHE H H 1 8.688 0.002 . 1 . 51 . A 114 PHE H . 26052 1 1265 . 1 1 114 114 PHE HA H 1 4.891 0.002 . 1 . 854 . A 114 PHE HA . 26052 1 1266 . 1 1 114 114 PHE HB2 H 1 3.161 0.001 . 2 . 855 . A 114 PHE HB2 . 26052 1 1267 . 1 1 114 114 PHE HB3 H 1 2.772 0.002 . 2 . 856 . A 114 PHE HB3 . 26052 1 1268 . 1 1 114 114 PHE HD1 H 1 7.370 0.003 . 1 . 1333 . A 114 PHE HD1 . 26052 1 1269 . 1 1 114 114 PHE HD2 H 1 7.370 0.003 . 1 . 1333 . A 114 PHE HD2 . 26052 1 1270 . 1 1 114 114 PHE HE1 H 1 7.255 0.01 . 1 . 1337 . A 114 PHE HE1 . 26052 1 1271 . 1 1 114 114 PHE HE2 H 1 7.255 0.01 . 1 . 1337 . A 114 PHE HE2 . 26052 1 1272 . 1 1 114 114 PHE HZ H 1 6.644 0.01 . 1 . 1335 . A 114 PHE HZ . 26052 1 1273 . 1 1 114 114 PHE C C 13 175.792 0.016 . 1 . 340 . A 114 PHE C . 26052 1 1274 . 1 1 114 114 PHE CA C 13 57.076 0.046 . 1 . 344 . A 114 PHE CA . 26052 1 1275 . 1 1 114 114 PHE CB C 13 42.008 0.042 . 1 . 343 . A 114 PHE CB . 26052 1 1276 . 1 1 114 114 PHE CD1 C 13 132.555 0.1 . 1 . 1332 . A 114 PHE CD1 . 26052 1 1277 . 1 1 114 114 PHE CD2 C 13 132.555 0.1 . 1 . 1332 . A 114 PHE CD2 . 26052 1 1278 . 1 1 114 114 PHE CE1 C 13 131.108 0.1 . 1 . 1336 . A 114 PHE CE1 . 26052 1 1279 . 1 1 114 114 PHE CE2 C 13 131.108 0.1 . 1 . 1336 . A 114 PHE CE2 . 26052 1 1280 . 1 1 114 114 PHE CZ C 13 129.333 0.1 . 1 . 1334 . A 114 PHE CZ . 26052 1 1281 . 1 1 114 114 PHE N N 15 122.395 0.045 . 1 . 52 . A 114 PHE N . 26052 1 1282 . 1 1 115 115 THR H H 1 8.846 0.004 . 1 . 267 . A 115 THR H . 26052 1 1283 . 1 1 115 115 THR HA H 1 4.477 0.001 . 1 . 851 . A 115 THR HA . 26052 1 1284 . 1 1 115 115 THR HB H 1 4.116 0.001 . 1 . 852 . A 115 THR HB . 26052 1 1285 . 1 1 115 115 THR HG21 H 1 1.167 0.001 . 1 . 853 . A 115 THR HG21 . 26052 1 1286 . 1 1 115 115 THR HG22 H 1 1.167 0.001 . 1 . 853 . A 115 THR HG22 . 26052 1 1287 . 1 1 115 115 THR HG23 H 1 1.167 0.001 . 1 . 853 . A 115 THR HG23 . 26052 1 1288 . 1 1 115 115 THR C C 13 172.950 0.01 . 1 . 345 . A 115 THR C . 26052 1 1289 . 1 1 115 115 THR CA C 13 60.873 0.06 . 1 . 346 . A 115 THR CA . 26052 1 1290 . 1 1 115 115 THR CB C 13 70.706 0.019 . 1 . 347 . A 115 THR CB . 26052 1 1291 . 1 1 115 115 THR CG2 C 13 21.354 0.006 . 1 . 349 . A 115 THR CG2 . 26052 1 1292 . 1 1 115 115 THR N N 15 116.661 0.04 . 1 . 268 . A 115 THR N . 26052 1 1293 . 1 1 116 116 ASP H H 1 8.319 0.003 . 1 . 27 . A 116 ASP H . 26052 1 1294 . 1 1 116 116 ASP HA H 1 4.555 0.002 . 1 . 850 . A 116 ASP HA . 26052 1 1295 . 1 1 116 116 ASP HB2 H 1 2.658 0.001 . 2 . 848 . A 116 ASP HB2 . 26052 1 1296 . 1 1 116 116 ASP HB3 H 1 2.546 0.001 . 2 . 849 . A 116 ASP HB3 . 26052 1 1297 . 1 1 116 116 ASP C C 13 175.568 0.013 . 1 . 348 . A 116 ASP C . 26052 1 1298 . 1 1 116 116 ASP CA C 13 54.467 0.063 . 1 . 351 . A 116 ASP CA . 26052 1 1299 . 1 1 116 116 ASP CB C 13 40.788 0.038 . 1 . 350 . A 116 ASP CB . 26052 1 1300 . 1 1 116 116 ASP N N 15 122.203 0.043 . 1 . 28 . A 116 ASP N . 26052 1 1301 . 1 1 117 117 ILE H H 1 8.075 0.002 . 1 . 227 . A 117 ILE H . 26052 1 1302 . 1 1 117 117 ILE HA H 1 4.212 0.001 . 1 . 843 . A 117 ILE HA . 26052 1 1303 . 1 1 117 117 ILE HB H 1 1.756 0.002 . 1 . 842 . A 117 ILE HB . 26052 1 1304 . 1 1 117 117 ILE HG12 H 1 1.085 0.004 . 2 . 844 . A 117 ILE HG12 . 26052 1 1305 . 1 1 117 117 ILE HG13 H 1 1.468 0.0 . 2 . 845 . A 117 ILE HG13 . 26052 1 1306 . 1 1 117 117 ILE HG21 H 1 0.845 0.0 . 1 . 846 . A 117 ILE HG21 . 26052 1 1307 . 1 1 117 117 ILE HG22 H 1 0.845 0.0 . 1 . 846 . A 117 ILE HG22 . 26052 1 1308 . 1 1 117 117 ILE HG23 H 1 0.845 0.0 . 1 . 846 . A 117 ILE HG23 . 26052 1 1309 . 1 1 117 117 ILE HD11 H 1 0.887 0.01 . 1 . 847 . A 117 ILE HD11 . 26052 1 1310 . 1 1 117 117 ILE HD12 H 1 0.887 0.01 . 1 . 847 . A 117 ILE HD12 . 26052 1 1311 . 1 1 117 117 ILE HD13 H 1 0.887 0.01 . 1 . 847 . A 117 ILE HD13 . 26052 1 1312 . 1 1 117 117 ILE C C 13 174.263 0.013 . 1 . 352 . A 117 ILE C . 26052 1 1313 . 1 1 117 117 ILE CA C 13 60.487 0.065 . 1 . 354 . A 117 ILE CA . 26052 1 1314 . 1 1 117 117 ILE CB C 13 40.408 0.028 . 1 . 353 . A 117 ILE CB . 26052 1 1315 . 1 1 117 117 ILE CG1 C 13 27.591 0.022 . 1 . 356 . A 117 ILE CG1 . 26052 1 1316 . 1 1 117 117 ILE CG2 C 13 17.738 0.022 . 1 . 357 . A 117 ILE CG2 . 26052 1 1317 . 1 1 117 117 ILE CD1 C 13 13.501 0.024 . 1 . 358 . A 117 ILE CD1 . 26052 1 1318 . 1 1 117 117 ILE N N 15 124.150 0.058 . 1 . 228 . A 117 ILE N . 26052 1 1319 . 1 1 118 118 LYS H H 1 8.179 0.002 . 1 . 109 . A 118 LYS H . 26052 1 1320 . 1 1 118 118 LYS HA H 1 4.478 0.004 . 1 . 837 . A 118 LYS HA . 26052 1 1321 . 1 1 118 118 LYS HB2 H 1 1.719 0.005 . 1 . 835 . A 118 LYS HB2 . 26052 1 1322 . 1 1 118 118 LYS HB3 H 1 1.719 0.005 . 1 . 836 . A 118 LYS HB3 . 26052 1 1323 . 1 1 118 118 LYS HG2 H 1 1.312 0.0 . 2 . 838 . A 118 LYS HG2 . 26052 1 1324 . 1 1 118 118 LYS HG3 H 1 1.435 0.01 . 2 . 839 . A 118 LYS HG3 . 26052 1 1325 . 1 1 118 118 LYS HD2 H 1 1.667 0.01 . 2 . 840 . A 118 LYS HD2 . 26052 1 1326 . 1 1 118 118 LYS HD3 H 1 1.599 0.01 . 2 . 841 . A 118 LYS HD3 . 26052 1 1327 . 1 1 118 118 LYS C C 13 176.901 0.003 . 1 . 355 . A 118 LYS C . 26052 1 1328 . 1 1 118 118 LYS CA C 13 54.750 0.092 . 1 . 360 . A 118 LYS CA . 26052 1 1329 . 1 1 118 118 LYS CB C 13 33.526 0.056 . 1 . 359 . A 118 LYS CB . 26052 1 1330 . 1 1 118 118 LYS CG C 13 24.415 0.094 . 1 . 362 . A 118 LYS CG . 26052 1 1331 . 1 1 118 118 LYS CD C 13 28.767 0.06 . 1 . 361 . A 118 LYS CD . 26052 1 1332 . 1 1 118 118 LYS N N 15 124.968 0.053 . 1 . 110 . A 118 LYS N . 26052 1 1333 . 1 1 119 119 THR H H 1 10.605 0.004 . 1 . 257 . A 119 THR H . 26052 1 1334 . 1 1 119 119 THR HA H 1 4.223 0.001 . 1 . 832 . A 119 THR HA . 26052 1 1335 . 1 1 119 119 THR HB H 1 4.183 0.036 . 1 . 833 . A 119 THR HB . 26052 1 1336 . 1 1 119 119 THR HG21 H 1 1.135 0.001 . 1 . 834 . A 119 THR HG21 . 26052 1 1337 . 1 1 119 119 THR HG22 H 1 1.135 0.001 . 1 . 834 . A 119 THR HG22 . 26052 1 1338 . 1 1 119 119 THR HG23 H 1 1.135 0.001 . 1 . 834 . A 119 THR HG23 . 26052 1 1339 . 1 1 119 119 THR C C 13 176.854 0.034 . 1 . 363 . A 119 THR C . 26052 1 1340 . 1 1 119 119 THR CA C 13 63.586 0.052 . 1 . 366 . A 119 THR CA . 26052 1 1341 . 1 1 119 119 THR CB C 13 71.669 0.083 . 1 . 364 . A 119 THR CB . 26052 1 1342 . 1 1 119 119 THR CG2 C 13 22.213 0.112 . 1 . 367 . A 119 THR CG2 . 26052 1 1343 . 1 1 119 119 THR N N 15 117.524 0.071 . 1 . 258 . A 119 THR N . 26052 1 1344 . 1 1 120 120 GLY H H 1 9.552 0.002 . 1 . 47 . A 120 GLY H . 26052 1 1345 . 1 1 120 120 GLY HA2 H 1 4.379 0.004 . 2 . 830 . A 120 GLY HA2 . 26052 1 1346 . 1 1 120 120 GLY HA3 H 1 3.561 0.002 . 2 . 831 . A 120 GLY HA3 . 26052 1 1347 . 1 1 120 120 GLY C C 13 173.442 0.016 . 1 . 365 . A 120 GLY C . 26052 1 1348 . 1 1 120 120 GLY CA C 13 45.289 0.029 . 1 . 368 . A 120 GLY CA . 26052 1 1349 . 1 1 120 120 GLY N N 15 113.970 0.053 . 1 . 48 . A 120 GLY N . 26052 1 1350 . 1 1 121 121 ASN H H 1 7.964 0.004 . 1 . 149 . A 121 ASN H . 26052 1 1351 . 1 1 121 121 ASN HA H 1 4.872 0.0 . 1 . 829 . A 121 ASN HA . 26052 1 1352 . 1 1 121 121 ASN HB2 H 1 2.559 0.002 . 2 . 827 . A 121 ASN HB2 . 26052 1 1353 . 1 1 121 121 ASN HB3 H 1 3.019 0.001 . 2 . 828 . A 121 ASN HB3 . 26052 1 1354 . 1 1 121 121 ASN HD21 H 1 6.975 0.01 . 1 . 1363 . A 121 ASN HD21 . 26052 1 1355 . 1 1 121 121 ASN HD22 H 1 7.266 0.01 . 1 . 1365 . A 121 ASN HD22 . 26052 1 1356 . 1 1 121 121 ASN C C 13 174.930 0.021 . 1 . 369 . A 121 ASN C . 26052 1 1357 . 1 1 121 121 ASN CA C 13 51.786 0.024 . 1 . 371 . A 121 ASN CA . 26052 1 1358 . 1 1 121 121 ASN CB C 13 37.933 0.016 . 1 . 370 . A 121 ASN CB . 26052 1 1359 . 1 1 121 121 ASN N N 15 120.407 0.083 . 1 . 150 . A 121 ASN N . 26052 1 1360 . 1 1 121 121 ASN ND2 N 15 110.112 0.001 . 1 . 1364 . A 121 ASN ND2 . 26052 1 1361 . 1 1 122 122 THR H H 1 8.459 0.001 . 1 . 151 . A 122 THR H . 26052 1 1362 . 1 1 122 122 THR HA H 1 3.874 0.001 . 1 . 825 . A 122 THR HA . 26052 1 1363 . 1 1 122 122 THR HB H 1 4.172 0.0 . 1 . 824 . A 122 THR HB . 26052 1 1364 . 1 1 122 122 THR HG21 H 1 1.297 0.001 . 1 . 826 . A 122 THR HG21 . 26052 1 1365 . 1 1 122 122 THR HG22 H 1 1.297 0.001 . 1 . 826 . A 122 THR HG22 . 26052 1 1366 . 1 1 122 122 THR HG23 H 1 1.297 0.001 . 1 . 826 . A 122 THR HG23 . 26052 1 1367 . 1 1 122 122 THR C C 13 176.576 0.028 . 1 . 372 . A 122 THR C . 26052 1 1368 . 1 1 122 122 THR CA C 13 66.522 0.042 . 1 . 374 . A 122 THR CA . 26052 1 1369 . 1 1 122 122 THR CB C 13 68.855 0.012 . 1 . 373 . A 122 THR CB . 26052 1 1370 . 1 1 122 122 THR CG2 C 13 22.064 0.043 . 1 . 376 . A 122 THR CG2 . 26052 1 1371 . 1 1 122 122 THR N N 15 120.064 0.052 . 1 . 152 . A 122 THR N . 26052 1 1372 . 1 1 123 123 GLU H H 1 8.314 0.002 . 1 . 131 . A 123 GLU H . 26052 1 1373 . 1 1 123 123 GLU HA H 1 4.107 0.01 . 1 . 819 . A 123 GLU HA . 26052 1 1374 . 1 1 123 123 GLU HB2 H 1 2.135 0.001 . 1 . 820 . A 123 GLU HB2 . 26052 1 1375 . 1 1 123 123 GLU HB3 H 1 2.135 0.001 . 1 . 821 . A 123 GLU HB3 . 26052 1 1376 . 1 1 123 123 GLU HG2 H 1 2.379 0.0 . 1 . 822 . A 123 GLU HG2 . 26052 1 1377 . 1 1 123 123 GLU HG3 H 1 2.379 0.0 . 1 . 823 . A 123 GLU HG3 . 26052 1 1378 . 1 1 123 123 GLU C C 13 179.052 0.009 . 1 . 375 . A 123 GLU C . 26052 1 1379 . 1 1 123 123 GLU CA C 13 59.215 0.041 . 1 . 377 . A 123 GLU CA . 26052 1 1380 . 1 1 123 123 GLU CB C 13 29.092 0.024 . 1 . 378 . A 123 GLU CB . 26052 1 1381 . 1 1 123 123 GLU CG C 13 36.322 0.004 . 1 . 380 . A 123 GLU CG . 26052 1 1382 . 1 1 123 123 GLU N N 15 120.269 0.057 . 1 . 132 . A 123 GLU N . 26052 1 1383 . 1 1 124 124 LEU H H 1 7.434 0.002 . 1 . 147 . A 124 LEU H . 26052 1 1384 . 1 1 124 124 LEU HA H 1 4.410 0.002 . 1 . 815 . A 124 LEU HA . 26052 1 1385 . 1 1 124 124 LEU HB2 H 1 1.790 0.001 . 2 . 813 . A 124 LEU HB2 . 26052 1 1386 . 1 1 124 124 LEU HB3 H 1 1.504 0.001 . 2 . 814 . A 124 LEU HB3 . 26052 1 1387 . 1 1 124 124 LEU HG H 1 1.645 0.01 . 1 . 818 . A 124 LEU HG . 26052 1 1388 . 1 1 124 124 LEU HD11 H 1 1.047 0.0 . 2 . 796 . A 124 LEU HD11 . 26052 1 1389 . 1 1 124 124 LEU HD12 H 1 1.047 0.0 . 2 . 796 . A 124 LEU HD12 . 26052 1 1390 . 1 1 124 124 LEU HD13 H 1 1.047 0.0 . 2 . 796 . A 124 LEU HD13 . 26052 1 1391 . 1 1 124 124 LEU HD21 H 1 1.116 0.001 . 2 . 816 . A 124 LEU HD21 . 26052 1 1392 . 1 1 124 124 LEU HD22 H 1 1.116 0.001 . 2 . 816 . A 124 LEU HD22 . 26052 1 1393 . 1 1 124 124 LEU HD23 H 1 1.116 0.001 . 2 . 816 . A 124 LEU HD23 . 26052 1 1394 . 1 1 124 124 LEU C C 13 178.574 0.013 . 1 . 379 . A 124 LEU C . 26052 1 1395 . 1 1 124 124 LEU CA C 13 57.071 0.032 . 1 . 382 . A 124 LEU CA . 26052 1 1396 . 1 1 124 124 LEU CB C 13 41.025 0.038 . 1 . 381 . A 124 LEU CB . 26052 1 1397 . 1 1 124 124 LEU CG C 13 27.409 0.1 . 1 . 817 . A 124 LEU CG . 26052 1 1398 . 1 1 124 124 LEU CD1 C 13 21.972 0.001 . 2 . 795 . A 124 LEU CD1 . 26052 1 1399 . 1 1 124 124 LEU CD2 C 13 26.207 0.041 . 2 . 384 . A 124 LEU CD2 . 26052 1 1400 . 1 1 124 124 LEU N N 15 123.013 0.057 . 1 . 148 . A 124 LEU N . 26052 1 1401 . 1 1 125 125 ASP H H 1 8.957 0.003 . 1 . 53 . A 125 ASP H . 26052 1 1402 . 1 1 125 125 ASP HB2 H 1 2.699 0.01 . 2 . 810 . A 125 ASP HB2 . 26052 1 1403 . 1 1 125 125 ASP HB3 H 1 2.761 0.01 . 2 . 811 . A 125 ASP HB3 . 26052 1 1404 . 1 1 125 125 ASP C C 13 178.841 0.005 . 1 . 383 . A 125 ASP C . 26052 1 1405 . 1 1 125 125 ASP CA C 13 57.751 0.062 . 1 . 386 . A 125 ASP CA . 26052 1 1406 . 1 1 125 125 ASP CB C 13 39.451 0.039 . 1 . 385 . A 125 ASP CB . 26052 1 1407 . 1 1 125 125 ASP N N 15 120.194 0.057 . 1 . 54 . A 125 ASP N . 26052 1 1408 . 1 1 126 126 LYS H H 1 7.569 0.004 . 1 . 133 . A 126 LYS H . 26052 1 1409 . 1 1 126 126 LYS HA H 1 4.168 0.001 . 1 . 801 . A 126 LYS HA . 26052 1 1410 . 1 1 126 126 LYS HB2 H 1 2.005 0.0 . 2 . 802 . A 126 LYS HB2 . 26052 1 1411 . 1 1 126 126 LYS HB3 H 1 1.924 0.0 . 2 . 803 . A 126 LYS HB3 . 26052 1 1412 . 1 1 126 126 LYS HG2 H 1 1.479 0.001 . 2 . 804 . A 126 LYS HG2 . 26052 1 1413 . 1 1 126 126 LYS HG3 H 1 1.738 0.002 . 2 . 805 . A 126 LYS HG3 . 26052 1 1414 . 1 1 126 126 LYS HD2 H 1 1.728 0.019 . 2 . 806 . A 126 LYS HD2 . 26052 1 1415 . 1 1 126 126 LYS HD3 H 1 1.712 0.015 . 2 . 807 . A 126 LYS HD3 . 26052 1 1416 . 1 1 126 126 LYS C C 13 179.605 0.009 . 1 . 387 . A 126 LYS C . 26052 1 1417 . 1 1 126 126 LYS CA C 13 59.779 0.027 . 1 . 388 . A 126 LYS CA . 26052 1 1418 . 1 1 126 126 LYS CB C 13 32.884 0.051 . 1 . 389 . A 126 LYS CB . 26052 1 1419 . 1 1 126 126 LYS CG C 13 25.385 0.01 . 1 . 392 . A 126 LYS CG . 26052 1 1420 . 1 1 126 126 LYS CD C 13 29.772 0.009 . 1 . 391 . A 126 LYS CD . 26052 1 1421 . 1 1 126 126 LYS N N 15 118.097 0.046 . 1 . 134 . A 126 LYS N . 26052 1 1422 . 1 1 127 127 VAL H H 1 7.519 0.003 . 1 . 253 . A 127 VAL H . 26052 1 1423 . 1 1 127 127 VAL HA H 1 3.859 0.003 . 1 . 798 . A 127 VAL HA . 26052 1 1424 . 1 1 127 127 VAL HB H 1 2.314 0.002 . 1 . 797 . A 127 VAL HB . 26052 1 1425 . 1 1 127 127 VAL HG11 H 1 0.997 0.006 . 2 . 799 . A 127 VAL HG11 . 26052 1 1426 . 1 1 127 127 VAL HG12 H 1 0.997 0.006 . 2 . 799 . A 127 VAL HG12 . 26052 1 1427 . 1 1 127 127 VAL HG13 H 1 0.997 0.006 . 2 . 799 . A 127 VAL HG13 . 26052 1 1428 . 1 1 127 127 VAL HG21 H 1 1.137 0.002 . 2 . 800 . A 127 VAL HG21 . 26052 1 1429 . 1 1 127 127 VAL HG22 H 1 1.137 0.002 . 2 . 800 . A 127 VAL HG22 . 26052 1 1430 . 1 1 127 127 VAL HG23 H 1 1.137 0.002 . 2 . 800 . A 127 VAL HG23 . 26052 1 1431 . 1 1 127 127 VAL C C 13 177.700 0.012 . 1 . 390 . A 127 VAL C . 26052 1 1432 . 1 1 127 127 VAL CA C 13 66.208 0.095 . 1 . 394 . A 127 VAL CA . 26052 1 1433 . 1 1 127 127 VAL CB C 13 31.911 0.04 . 1 . 393 . A 127 VAL CB . 26052 1 1434 . 1 1 127 127 VAL CG1 C 13 22.206 0.003 . 2 . 396 . A 127 VAL CG1 . 26052 1 1435 . 1 1 127 127 VAL CG2 C 13 23.064 0.059 . 2 . 397 . A 127 VAL CG2 . 26052 1 1436 . 1 1 127 127 VAL N N 15 121.089 0.042 . 1 . 254 . A 127 VAL N . 26052 1 1437 . 1 1 128 128 LEU H H 1 8.776 0.002 . 1 . 101 . A 128 LEU H . 26052 1 1438 . 1 1 128 128 LEU HA H 1 3.944 0.001 . 1 . 790 . A 128 LEU HA . 26052 1 1439 . 1 1 128 128 LEU HB2 H 1 2.103 0.002 . 2 . 791 . A 128 LEU HB2 . 26052 1 1440 . 1 1 128 128 LEU HB3 H 1 1.492 0.004 . 2 . 792 . A 128 LEU HB3 . 26052 1 1441 . 1 1 128 128 LEU HG H 1 1.921 0.001 . 1 . 793 . A 128 LEU HG . 26052 1 1442 . 1 1 128 128 LEU HD11 H 1 0.783 0.005 . 2 . 794 . A 128 LEU HD11 . 26052 1 1443 . 1 1 128 128 LEU HD12 H 1 0.783 0.005 . 2 . 794 . A 128 LEU HD12 . 26052 1 1444 . 1 1 128 128 LEU HD13 H 1 0.783 0.005 . 2 . 794 . A 128 LEU HD13 . 26052 1 1445 . 1 1 128 128 LEU HD21 H 1 0.963 0.001 . 2 . 1406 . A 128 LEU HD21 . 26052 1 1446 . 1 1 128 128 LEU HD22 H 1 0.963 0.001 . 2 . 1406 . A 128 LEU HD22 . 26052 1 1447 . 1 1 128 128 LEU HD23 H 1 0.963 0.001 . 2 . 1406 . A 128 LEU HD23 . 26052 1 1448 . 1 1 128 128 LEU C C 13 178.499 0.012 . 1 . 395 . A 128 LEU C . 26052 1 1449 . 1 1 128 128 LEU CA C 13 58.696 0.022 . 1 . 399 . A 128 LEU CA . 26052 1 1450 . 1 1 128 128 LEU CB C 13 41.017 0.057 . 1 . 398 . A 128 LEU CB . 26052 1 1451 . 1 1 128 128 LEU CG C 13 27.095 0.002 . 1 . 401 . A 128 LEU CG . 26052 1 1452 . 1 1 128 128 LEU CD1 C 13 22.907 0.043 . 2 . 402 . A 128 LEU CD1 . 26052 1 1453 . 1 1 128 128 LEU CD2 C 13 27.108 0.02 . 2 . 1405 . A 128 LEU CD2 . 26052 1 1454 . 1 1 128 128 LEU N N 15 121.416 0.052 . 1 . 102 . A 128 LEU N . 26052 1 1455 . 1 1 129 129 ASP H H 1 8.026 0.003 . 1 . 261 . A 129 ASP H . 26052 1 1456 . 1 1 129 129 ASP HA H 1 4.341 0.01 . 1 . 789 . A 129 ASP HA . 26052 1 1457 . 1 1 129 129 ASP HB2 H 1 2.791 0.001 . 2 . 781 . A 129 ASP HB2 . 26052 1 1458 . 1 1 129 129 ASP HB3 H 1 2.600 0.002 . 2 . 782 . A 129 ASP HB3 . 26052 1 1459 . 1 1 129 129 ASP C C 13 179.193 0.016 . 1 . 400 . A 129 ASP C . 26052 1 1460 . 1 1 129 129 ASP CA C 13 57.269 0.041 . 1 . 403 . A 129 ASP CA . 26052 1 1461 . 1 1 129 129 ASP CB C 13 41.303 0.037 . 1 . 780 . A 129 ASP CB . 26052 1 1462 . 1 1 129 129 ASP N N 15 116.496 0.098 . 1 . 262 . A 129 ASP N . 26052 1 1463 . 1 1 130 130 LYS H H 1 7.592 0.001 . 1 . 65 . A 130 LYS H . 26052 1 1464 . 1 1 130 130 LYS HA H 1 4.000 0.001 . 1 . 779 . A 130 LYS HA . 26052 1 1465 . 1 1 130 130 LYS HB2 H 1 1.942 0.0 . 2 . 777 . A 130 LYS HB2 . 26052 1 1466 . 1 1 130 130 LYS HB3 H 1 1.808 0.0 . 2 . 778 . A 130 LYS HB3 . 26052 1 1467 . 1 1 130 130 LYS HG2 H 1 1.439 0.01 . 2 . 784 . A 130 LYS HG2 . 26052 1 1468 . 1 1 130 130 LYS HG3 H 1 1.550 0.01 . 2 . 785 . A 130 LYS HG3 . 26052 1 1469 . 1 1 130 130 LYS HD2 H 1 1.663 0.0 . 1 . 787 . A 130 LYS HD2 . 26052 1 1470 . 1 1 130 130 LYS HD3 H 1 1.663 0.0 . 1 . 788 . A 130 LYS HD3 . 26052 1 1471 . 1 1 130 130 LYS C C 13 179.262 0.037 . 1 . 404 . A 130 LYS C . 26052 1 1472 . 1 1 130 130 LYS CA C 13 58.697 0.062 . 1 . 405 . A 130 LYS CA . 26052 1 1473 . 1 1 130 130 LYS CB C 13 32.400 0.052 . 1 . 406 . A 130 LYS CB . 26052 1 1474 . 1 1 130 130 LYS CG C 13 25.452 0.005 . 1 . 783 . A 130 LYS CG . 26052 1 1475 . 1 1 130 130 LYS CD C 13 29.141 0.1 . 1 . 786 . A 130 LYS CD . 26052 1 1476 . 1 1 130 130 LYS N N 15 119.330 0.041 . 1 . 66 . A 130 LYS N . 26052 1 1477 . 1 1 131 131 ALA H H 1 8.455 0.002 . 1 . 41 . A 131 ALA H . 26052 1 1478 . 1 1 131 131 ALA HA H 1 3.887 0.004 . 1 . 776 . A 131 ALA HA . 26052 1 1479 . 1 1 131 131 ALA HB1 H 1 1.396 0.002 . 1 . 775 . A 131 ALA HB1 . 26052 1 1480 . 1 1 131 131 ALA HB2 H 1 1.396 0.002 . 1 . 775 . A 131 ALA HB2 . 26052 1 1481 . 1 1 131 131 ALA HB3 H 1 1.396 0.002 . 1 . 775 . A 131 ALA HB3 . 26052 1 1482 . 1 1 131 131 ALA C C 13 178.734 0.011 . 1 . 407 . A 131 ALA C . 26052 1 1483 . 1 1 131 131 ALA CA C 13 55.287 0.027 . 1 . 410 . A 131 ALA CA . 26052 1 1484 . 1 1 131 131 ALA CB C 13 18.608 0.086 . 1 . 409 . A 131 ALA CB . 26052 1 1485 . 1 1 131 131 ALA N N 15 122.979 0.059 . 1 . 42 . A 131 ALA N . 26052 1 1486 . 1 1 132 132 ILE H H 1 7.963 0.002 . 1 . 179 . A 132 ILE H . 26052 1 1487 . 1 1 132 132 ILE HA H 1 2.804 0.0 . 1 . 768 . A 132 ILE HA . 26052 1 1488 . 1 1 132 132 ILE HB H 1 1.648 0.0 . 1 . 769 . A 132 ILE HB . 26052 1 1489 . 1 1 132 132 ILE HG12 H 1 0.865 0.006 . 2 . 770 . A 132 ILE HG12 . 26052 1 1490 . 1 1 132 132 ILE HG13 H 1 1.515 0.01 . 2 . 771 . A 132 ILE HG13 . 26052 1 1491 . 1 1 132 132 ILE HG21 H 1 0.663 0.0 . 1 . 772 . A 132 ILE HG21 . 26052 1 1492 . 1 1 132 132 ILE HG22 H 1 0.663 0.0 . 1 . 772 . A 132 ILE HG22 . 26052 1 1493 . 1 1 132 132 ILE HG23 H 1 0.663 0.0 . 1 . 772 . A 132 ILE HG23 . 26052 1 1494 . 1 1 132 132 ILE HD11 H 1 0.867 0.007 . 1 . 774 . A 132 ILE HD11 . 26052 1 1495 . 1 1 132 132 ILE HD12 H 1 0.867 0.007 . 1 . 774 . A 132 ILE HD12 . 26052 1 1496 . 1 1 132 132 ILE HD13 H 1 0.867 0.007 . 1 . 774 . A 132 ILE HD13 . 26052 1 1497 . 1 1 132 132 ILE C C 13 177.974 0.003 . 1 . 411 . A 132 ILE C . 26052 1 1498 . 1 1 132 132 ILE CA C 13 64.199 0.032 . 1 . 412 . A 132 ILE CA . 26052 1 1499 . 1 1 132 132 ILE CB C 13 37.957 0.034 . 1 . 413 . A 132 ILE CB . 26052 1 1500 . 1 1 132 132 ILE CG1 C 13 28.369 0.02 . 1 . 415 . A 132 ILE CG1 . 26052 1 1501 . 1 1 132 132 ILE CG2 C 13 16.871 0.046 . 1 . 416 . A 132 ILE CG2 . 26052 1 1502 . 1 1 132 132 ILE CD1 C 13 13.941 0.1 . 1 . 773 . A 132 ILE CD1 . 26052 1 1503 . 1 1 132 132 ILE N N 15 114.285 0.107 . 1 . 180 . A 132 ILE N . 26052 1 1504 . 1 1 133 133 SER H H 1 7.460 0.002 . 1 . 255 . A 133 SER H . 26052 1 1505 . 1 1 133 133 SER HA H 1 4.377 0.001 . 1 . 765 . A 133 SER HA . 26052 1 1506 . 1 1 133 133 SER HB2 H 1 4.021 0.01 . 2 . 766 . A 133 SER HB2 . 26052 1 1507 . 1 1 133 133 SER HB3 H 1 3.952 0.01 . 2 . 767 . A 133 SER HB3 . 26052 1 1508 . 1 1 133 133 SER C C 13 174.630 0.017 . 1 . 414 . A 133 SER C . 26052 1 1509 . 1 1 133 133 SER CA C 13 59.690 0.025 . 1 . 418 . A 133 SER CA . 26052 1 1510 . 1 1 133 133 SER CB C 13 63.580 0.078 . 1 . 417 . A 133 SER CB . 26052 1 1511 . 1 1 133 133 SER N N 15 114.788 0.032 . 1 . 256 . A 133 SER N . 26052 1 1512 . 1 1 134 134 LEU H H 1 7.661 0.002 . 1 . 121 . A 134 LEU H . 26052 1 1513 . 1 1 134 134 LEU HA H 1 4.379 0.001 . 1 . 758 . A 134 LEU HA . 26052 1 1514 . 1 1 134 134 LEU HB2 H 1 2.186 0.002 . 2 . 759 . A 134 LEU HB2 . 26052 1 1515 . 1 1 134 134 LEU HB3 H 1 1.802 0.001 . 2 . 760 . A 134 LEU HB3 . 26052 1 1516 . 1 1 134 134 LEU HG H 1 2.072 0.002 . 1 . 761 . A 134 LEU HG . 26052 1 1517 . 1 1 134 134 LEU HD11 H 1 0.912 0.01 . 2 . 762 . A 134 LEU HD11 . 26052 1 1518 . 1 1 134 134 LEU HD12 H 1 0.912 0.01 . 2 . 762 . A 134 LEU HD12 . 26052 1 1519 . 1 1 134 134 LEU HD13 H 1 0.912 0.01 . 2 . 762 . A 134 LEU HD13 . 26052 1 1520 . 1 1 134 134 LEU HD21 H 1 0.945 0.0 . 2 . 764 . A 134 LEU HD21 . 26052 1 1521 . 1 1 134 134 LEU HD22 H 1 0.945 0.0 . 2 . 764 . A 134 LEU HD22 . 26052 1 1522 . 1 1 134 134 LEU HD23 H 1 0.945 0.0 . 2 . 764 . A 134 LEU HD23 . 26052 1 1523 . 1 1 134 134 LEU C C 13 177.665 0.011 . 1 . 419 . A 134 LEU C . 26052 1 1524 . 1 1 134 134 LEU CA C 13 55.827 0.062 . 1 . 421 . A 134 LEU CA . 26052 1 1525 . 1 1 134 134 LEU CB C 13 41.787 0.058 . 1 . 420 . A 134 LEU CB . 26052 1 1526 . 1 1 134 134 LEU CG C 13 26.393 0.045 . 1 . 424 . A 134 LEU CG . 26052 1 1527 . 1 1 134 134 LEU CD1 C 13 22.575 0.039 . 2 . 425 . A 134 LEU CD1 . 26052 1 1528 . 1 1 134 134 LEU CD2 C 13 26.358 0.002 . 2 . 763 . A 134 LEU CD2 . 26052 1 1529 . 1 1 134 134 LEU N N 15 122.281 0.029 . 1 . 122 . A 134 LEU N . 26052 1 1530 . 1 1 135 135 GLY H H 1 7.749 0.001 . 1 . 25 . A 135 GLY H . 26052 1 1531 . 1 1 135 135 GLY HA2 H 1 3.924 0.002 . 2 . 756 . A 135 GLY HA2 . 26052 1 1532 . 1 1 135 135 GLY HA3 H 1 3.578 0.003 . 2 . 757 . A 135 GLY HA3 . 26052 1 1533 . 1 1 135 135 GLY C C 13 178.611 0.1 . 1 . 422 . A 135 GLY C . 26052 1 1534 . 1 1 135 135 GLY CA C 13 46.584 0.028 . 1 . 423 . A 135 GLY CA . 26052 1 1535 . 1 1 135 135 GLY N N 15 112.857 0.049 . 1 . 26 . A 135 GLY N . 26052 1 stop_ save_