data_19195 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19195 _Entry.Title ; alfa-actinin from parasite Entamoeba histolytica ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-26 _Entry.Accession_date 2013-04-26 _Entry.Last_release_date 2013-06-04 _Entry.Original_release_date 2013-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 12 STRUCTURES' _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.Entry_ID 1 Cecilia Persson . K. . 19195 2 Maxim Mayzel . L. . 19195 3 Goran Karlsson . B. . 19195 4 Lars Backman . . . 19195 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' . 19195 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . SNC . 19195 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19195 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 537 19195 '15N chemical shifts' 136 19195 '1H chemical shifts' 869 19195 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 1 . . 2013-06-04 2013-04-26 original author . 19195 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19195 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'alfa-actinin from parasite Entamoeba histolytica' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Cecilia Persson . K. . 19195 1 2 Maxim Mayzel . L. . 19195 1 3 Goran Karlsson . B. . 19195 1 4 Lars Backman . . . 19195 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19195 _Assembly.ID 1 _Assembly.Name 'alfa-actinin from parasite Entamoeba histolytica' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'alfa-actinin from parasite Entamoeba histolytica' 1 $entity A . yes native no no . . . 19195 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19195 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSSSGVTAEQMQEFKQSFDA FDGNHDGILDKLEFRSCLSS MGLIDIDFTGGEDAQYDAIY NNVTKGENGVSFDNYVQYMK EKNDENPSPEQLNEIFSTIA AGKDSITETDMQKAGMSAEQ IEYVKANLPQKGDGYDYAAW VKTN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15924.354 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no PDB 2M7L . "Alfa-actinin From Parasite Entamoeba Histolytica" . . . . . 100.00 144 100.00 100.00 2.75e-100 . . . . 19195 1 2 no GB EAL47897 . "calponin homology domain protein, putative [Entamoeba histolytica HM-1:IMSS]" . . . . . 99.31 619 99.30 100.00 2.37e-94 . . . . 19195 1 3 no GB EKE40069 . "calponin domain family protein, putative [Entamoeba nuttalli P19]" . . . . . 99.31 619 99.30 100.00 2.75e-94 . . . . 19195 1 4 no GB EMD43687 . "calponin domain protein [Entamoeba histolytica KU27]" . . . . . 99.31 619 99.30 100.00 2.37e-94 . . . . 19195 1 5 no GB EMH76125 . "calponin domain family protein, putative [Entamoeba histolytica HM-1:IMSS-B]" . . . . . 99.31 619 99.30 100.00 2.37e-94 . . . . 19195 1 6 no GB EMS12580 . "calponin domain family protein [Entamoeba histolytica HM-3:IMSS]" . . . . . 99.31 619 99.30 100.00 2.37e-94 . . . . 19195 1 7 no REF XP_008857596 . "calponin domain family protein, putative [Entamoeba nuttalli P19]" . . . . . 99.31 619 99.30 100.00 2.75e-94 . . . . 19195 1 8 no REF XP_653283 . "calponin homology domain protein [Entamoeba histolytica HM-1:IMSS]" . . . . . 99.31 619 99.30 100.00 2.37e-94 . . . . 19195 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 . GLY . 19195 1 2 . SER . 19195 1 3 . SER . 19195 1 4 . SER . 19195 1 5 . GLY . 19195 1 6 . VAL . 19195 1 7 . THR . 19195 1 8 . ALA . 19195 1 9 . GLU . 19195 1 10 . GLN . 19195 1 11 . MET . 19195 1 12 . GLN . 19195 1 13 . GLU . 19195 1 14 . PHE . 19195 1 15 . LYS . 19195 1 16 . GLN . 19195 1 17 . SER . 19195 1 18 . PHE . 19195 1 19 . ASP . 19195 1 20 . ALA . 19195 1 21 . PHE . 19195 1 22 . ASP . 19195 1 23 . GLY . 19195 1 24 . ASN . 19195 1 25 . HIS . 19195 1 26 . ASP . 19195 1 27 . GLY . 19195 1 28 . ILE . 19195 1 29 . LEU . 19195 1 30 . ASP . 19195 1 31 . LYS . 19195 1 32 . LEU . 19195 1 33 . GLU . 19195 1 34 . PHE . 19195 1 35 . ARG . 19195 1 36 . SER . 19195 1 37 . CYS . 19195 1 38 . LEU . 19195 1 39 . SER . 19195 1 40 . SER . 19195 1 41 . MET . 19195 1 42 . GLY . 19195 1 43 . LEU . 19195 1 44 . ILE . 19195 1 45 . ASP . 19195 1 46 . ILE . 19195 1 47 . ASP . 19195 1 48 . PHE . 19195 1 49 . THR . 19195 1 50 . GLY . 19195 1 51 . GLY . 19195 1 52 . GLU . 19195 1 53 . ASP . 19195 1 54 . ALA . 19195 1 55 . GLN . 19195 1 56 . TYR . 19195 1 57 . ASP . 19195 1 58 . ALA . 19195 1 59 . ILE . 19195 1 60 . TYR . 19195 1 61 . ASN . 19195 1 62 . ASN . 19195 1 63 . VAL . 19195 1 64 . THR . 19195 1 65 . LYS . 19195 1 66 . GLY . 19195 1 67 . GLU . 19195 1 68 . ASN . 19195 1 69 . GLY . 19195 1 70 . VAL . 19195 1 71 . SER . 19195 1 72 . PHE . 19195 1 73 . ASP . 19195 1 74 . ASN . 19195 1 75 . TYR . 19195 1 76 . VAL . 19195 1 77 . GLN . 19195 1 78 . TYR . 19195 1 79 . MET . 19195 1 80 . LYS . 19195 1 81 . GLU . 19195 1 82 . LYS . 19195 1 83 . ASN . 19195 1 84 . ASP . 19195 1 85 . GLU . 19195 1 86 . ASN . 19195 1 87 . PRO . 19195 1 88 . SER . 19195 1 89 . PRO . 19195 1 90 . GLU . 19195 1 91 . GLN . 19195 1 92 . LEU . 19195 1 93 . ASN . 19195 1 94 . GLU . 19195 1 95 . ILE . 19195 1 96 . PHE . 19195 1 97 . SER . 19195 1 98 . THR . 19195 1 99 . ILE . 19195 1 100 . ALA . 19195 1 101 . ALA . 19195 1 102 . GLY . 19195 1 103 . LYS . 19195 1 104 . ASP . 19195 1 105 . SER . 19195 1 106 . ILE . 19195 1 107 . THR . 19195 1 108 . GLU . 19195 1 109 . THR . 19195 1 110 . ASP . 19195 1 111 . MET . 19195 1 112 . GLN . 19195 1 113 . LYS . 19195 1 114 . ALA . 19195 1 115 . GLY . 19195 1 116 . MET . 19195 1 117 . SER . 19195 1 118 . ALA . 19195 1 119 . GLU . 19195 1 120 . GLN . 19195 1 121 . ILE . 19195 1 122 . GLU . 19195 1 123 . TYR . 19195 1 124 . VAL . 19195 1 125 . LYS . 19195 1 126 . ALA . 19195 1 127 . ASN . 19195 1 128 . LEU . 19195 1 129 . PRO . 19195 1 130 . GLN . 19195 1 131 . LYS . 19195 1 132 . GLY . 19195 1 133 . ASP . 19195 1 134 . GLY . 19195 1 135 . TYR . 19195 1 136 . ASP . 19195 1 137 . TYR . 19195 1 138 . ALA . 19195 1 139 . ALA . 19195 1 140 . TRP . 19195 1 141 . VAL . 19195 1 142 . LYS . 19195 1 143 . THR . 19195 1 144 . ASN . 19195 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 19195 1 . SER 2 2 19195 1 . SER 3 3 19195 1 . SER 4 4 19195 1 . GLY 5 5 19195 1 . VAL 6 6 19195 1 . THR 7 7 19195 1 . ALA 8 8 19195 1 . GLU 9 9 19195 1 . GLN 10 10 19195 1 . MET 11 11 19195 1 . GLN 12 12 19195 1 . GLU 13 13 19195 1 . PHE 14 14 19195 1 . LYS 15 15 19195 1 . GLN 16 16 19195 1 . SER 17 17 19195 1 . PHE 18 18 19195 1 . ASP 19 19 19195 1 . ALA 20 20 19195 1 . PHE 21 21 19195 1 . ASP 22 22 19195 1 . GLY 23 23 19195 1 . ASN 24 24 19195 1 . HIS 25 25 19195 1 . ASP 26 26 19195 1 . GLY 27 27 19195 1 . ILE 28 28 19195 1 . LEU 29 29 19195 1 . ASP 30 30 19195 1 . LYS 31 31 19195 1 . LEU 32 32 19195 1 . GLU 33 33 19195 1 . PHE 34 34 19195 1 . ARG 35 35 19195 1 . SER 36 36 19195 1 . CYS 37 37 19195 1 . LEU 38 38 19195 1 . SER 39 39 19195 1 . SER 40 40 19195 1 . MET 41 41 19195 1 . GLY 42 42 19195 1 . LEU 43 43 19195 1 . ILE 44 44 19195 1 . ASP 45 45 19195 1 . ILE 46 46 19195 1 . ASP 47 47 19195 1 . PHE 48 48 19195 1 . THR 49 49 19195 1 . GLY 50 50 19195 1 . GLY 51 51 19195 1 . GLU 52 52 19195 1 . ASP 53 53 19195 1 . ALA 54 54 19195 1 . GLN 55 55 19195 1 . TYR 56 56 19195 1 . ASP 57 57 19195 1 . ALA 58 58 19195 1 . ILE 59 59 19195 1 . TYR 60 60 19195 1 . ASN 61 61 19195 1 . ASN 62 62 19195 1 . VAL 63 63 19195 1 . THR 64 64 19195 1 . LYS 65 65 19195 1 . GLY 66 66 19195 1 . GLU 67 67 19195 1 . ASN 68 68 19195 1 . GLY 69 69 19195 1 . VAL 70 70 19195 1 . SER 71 71 19195 1 . PHE 72 72 19195 1 . ASP 73 73 19195 1 . ASN 74 74 19195 1 . TYR 75 75 19195 1 . VAL 76 76 19195 1 . GLN 77 77 19195 1 . TYR 78 78 19195 1 . MET 79 79 19195 1 . LYS 80 80 19195 1 . GLU 81 81 19195 1 . LYS 82 82 19195 1 . ASN 83 83 19195 1 . ASP 84 84 19195 1 . GLU 85 85 19195 1 . ASN 86 86 19195 1 . PRO 87 87 19195 1 . SER 88 88 19195 1 . PRO 89 89 19195 1 . GLU 90 90 19195 1 . GLN 91 91 19195 1 . LEU 92 92 19195 1 . ASN 93 93 19195 1 . GLU 94 94 19195 1 . ILE 95 95 19195 1 . PHE 96 96 19195 1 . SER 97 97 19195 1 . THR 98 98 19195 1 . ILE 99 99 19195 1 . ALA 100 100 19195 1 . ALA 101 101 19195 1 . GLY 102 102 19195 1 . LYS 103 103 19195 1 . ASP 104 104 19195 1 . SER 105 105 19195 1 . ILE 106 106 19195 1 . THR 107 107 19195 1 . GLU 108 108 19195 1 . THR 109 109 19195 1 . ASP 110 110 19195 1 . MET 111 111 19195 1 . GLN 112 112 19195 1 . LYS 113 113 19195 1 . ALA 114 114 19195 1 . GLY 115 115 19195 1 . MET 116 116 19195 1 . SER 117 117 19195 1 . ALA 118 118 19195 1 . GLU 119 119 19195 1 . GLN 120 120 19195 1 . ILE 121 121 19195 1 . GLU 122 122 19195 1 . TYR 123 123 19195 1 . VAL 124 124 19195 1 . LYS 125 125 19195 1 . ALA 126 126 19195 1 . ASN 127 127 19195 1 . LEU 128 128 19195 1 . PRO 129 129 19195 1 . GLN 130 130 19195 1 . LYS 131 131 19195 1 . GLY 132 132 19195 1 . ASP 133 133 19195 1 . GLY 134 134 19195 1 . TYR 135 135 19195 1 . ASP 136 136 19195 1 . TYR 137 137 19195 1 . ALA 138 138 19195 1 . ALA 139 139 19195 1 . TRP 140 140 19195 1 . VAL 141 141 19195 1 . LYS 142 142 19195 1 . THR 143 143 19195 1 . ASN 144 144 19195 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 19195 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 5759 organism . 'Entamoeba Histolytica' 'Entamoeba Histolytica' . . Eukaryota . Entamoeba Histolytica . . . . . . . . . . . . . . . . . . . . . 19195 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 19195 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . na . . . . . . 19195 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19195 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM NaPi, 150 mM NaCl, pH 6.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'The protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.5 . . mM . . . . 19195 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19195 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19195 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19195 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19195 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19195 _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' 0.15 . M 19195 1 pH 6.0 . pH 19195 1 pressure 1 . atm 19195 1 temperature 298 . K 19195 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19195 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19195 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'assignment and data analysis' 19195 1 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 19195 _Software.ID 2 _Software.Name DANGLE _Software.Version 1.1 _Software.Details . save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19195 _Software.ID 3 _Software.Name CYANA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19195 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19195 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19195 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19195 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19195 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19195 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19195 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19195 _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 Varian INOVA . 800 . . . 19195 1 2 spectrometet_2 Varian INOVA . 900 . . . 19195 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 19195 _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 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19195 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19195 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19195 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19195 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19195 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19195 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 19195 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25144953 . . . . . . . . . 19195 1 H 1 water protons . . . . ppm 4.70 internal direct 1.00000000 . . . . . . . . . 19195 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.10132912 . . . . . . . . . 19195 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 19195 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin targetedAcquisition file /Users/goran/Desktop/EF/TA/TAassignment.ta' _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' . . . 19195 1 2 '3D 1H-15N NOESY' . . . 19195 1 3 '3D 1H-13C NOESY' . . . 19195 1 6 '2D 1H-1H NOESY' . . . 19195 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 2 2 SER C C 13 178.900 . . 1 . 3 . A 2 SER C . 19195 1 2 . 1 1 2 2 SER CA C 13 57.200 . . 1 . 4 . A 2 SER CA . 19195 1 3 . 1 1 3 3 SER H H 1 7.600 . . 1 . 1 . A 3 SER H . 19195 1 4 . 1 1 3 3 SER C C 13 174.700 . . 1 . 8 . A 3 SER C . 19195 1 5 . 1 1 3 3 SER CA C 13 54.500 . . 1 . 5 . A 3 SER CA . 19195 1 6 . 1 1 3 3 SER CB C 13 63.800 . . 1 . 9 . A 3 SER CB . 19195 1 7 . 1 1 3 3 SER N N 15 121.400 . . 1 . 2 . A 3 SER N . 19195 1 8 . 1 1 4 4 SER H H 1 8.245 0.002 . 1 . 6 . A 4 SER H . 19195 1 9 . 1 1 4 4 SER HA H 1 4.352 0.006 . 1 . 1094 . A 4 SER HA . 19195 1 10 . 1 1 4 4 SER HB3 H 1 3.806 0.003 . 1 . 1095 . . 4 SER HB3 . 19195 1 11 . 1 1 4 4 SER C C 13 175.000 . . 1 . 13 . A 4 SER C . 19195 1 12 . 1 1 4 4 SER CA C 13 58.739 0.023 . 1 . 615 . A 4 SER CA . 19195 1 13 . 1 1 4 4 SER CB C 13 63.735 0.082 . 1 . 10 . A 4 SER CB . 19195 1 14 . 1 1 4 4 SER N N 15 118.232 0.003 . 1 . 7 . A 4 SER N . 19195 1 15 . 1 1 5 5 GLY H H 1 8.282 0.003 . 1 . 11 . A 5 GLY H . 19195 1 16 . 1 1 5 5 GLY HA3 H 1 3.882 0.006 . 1 . 772 . . 5 GLY HA3 . 19195 1 17 . 1 1 5 5 GLY C C 13 175.900 . . 1 . 15 . A 5 GLY C . 19195 1 18 . 1 1 5 5 GLY CA C 13 45.178 0.053 . 1 . 14 . A 5 GLY CA . 19195 1 19 . 1 1 5 5 GLY N N 15 111.015 0.018 . 1 . 12 . A 5 GLY N . 19195 1 20 . 1 1 6 6 VAL H H 1 7.829 0.002 . 1 . 524 . A 6 VAL H . 19195 1 21 . 1 1 6 6 VAL HA H 1 4.336 0.005 . 1 . 670 . A 6 VAL HA . 19195 1 22 . 1 1 6 6 VAL HB H 1 1.991 0.004 . 1 . 668 . A 6 VAL HB . 19195 1 23 . 1 1 6 6 VAL HG11 H 1 0.853 0.004 . 2 . 671 . . 6 VAL HG11 . 19195 1 24 . 1 1 6 6 VAL HG12 H 1 0.853 0.004 . 2 . 671 . . 6 VAL HG12 . 19195 1 25 . 1 1 6 6 VAL HG13 H 1 0.853 0.004 . 2 . 671 . . 6 VAL HG13 . 19195 1 26 . 1 1 6 6 VAL HG21 H 1 0.986 0.006 . 2 . 669 . . 6 VAL HG21 . 19195 1 27 . 1 1 6 6 VAL HG22 H 1 0.986 0.006 . 2 . 669 . . 6 VAL HG22 . 19195 1 28 . 1 1 6 6 VAL HG23 H 1 0.986 0.006 . 2 . 669 . . 6 VAL HG23 . 19195 1 29 . 1 1 6 6 VAL CA C 13 61.360 0.044 . 1 . 614 . A 6 VAL CA . 19195 1 30 . 1 1 6 6 VAL CB C 13 33.324 0.027 . 1 . 667 . A 6 VAL CB . 19195 1 31 . 1 1 6 6 VAL CG1 C 13 20.962 0.037 . 2 . 672 . A 6 VAL CG1 . 19195 1 32 . 1 1 6 6 VAL CG2 C 13 22.230 0.092 . 2 . 673 . A 6 VAL CG2 . 19195 1 33 . 1 1 6 6 VAL N N 15 119.582 0.006 . 1 . 523 . A 6 VAL N . 19195 1 34 . 1 1 7 7 THR H H 1 8.366 0.004 . 1 . 522 . A 7 THR H . 19195 1 35 . 1 1 7 7 THR HA H 1 4.319 0.005 . 1 . 637 . A 7 THR HA . 19195 1 36 . 1 1 7 7 THR HB H 1 4.653 0.001 . 1 . 1097 . A 7 THR HB . 19195 1 37 . 1 1 7 7 THR HG21 H 1 1.236 0.002 . 1 . 635 . . 7 THR HG21 . 19195 1 38 . 1 1 7 7 THR HG22 H 1 1.236 0.002 . 1 . 635 . . 7 THR HG22 . 19195 1 39 . 1 1 7 7 THR HG23 H 1 1.236 0.002 . 1 . 635 . . 7 THR HG23 . 19195 1 40 . 1 1 7 7 THR CA C 13 61.162 0.077 . 1 . 613 . A 7 THR CA . 19195 1 41 . 1 1 7 7 THR CB C 13 71.098 0.03 . 1 . 1096 . A 7 THR CB . 19195 1 42 . 1 1 7 7 THR CG2 C 13 21.793 0.02 . 1 . 636 . A 7 THR CG2 . 19195 1 43 . 1 1 7 7 THR N N 15 118.152 0.008 . 1 . 521 . A 7 THR N . 19195 1 44 . 1 1 8 8 ALA H H 1 8.796 0.005 . 1 . 520 . A 8 ALA H . 19195 1 45 . 1 1 8 8 ALA HA H 1 4.013 0.002 . 1 . 617 . A 8 ALA HA . 19195 1 46 . 1 1 8 8 ALA HB1 H 1 1.376 0.002 . 1 . 616 . . 8 ALA HB1 . 19195 1 47 . 1 1 8 8 ALA HB2 H 1 1.376 0.002 . 1 . 616 . . 8 ALA HB2 . 19195 1 48 . 1 1 8 8 ALA HB3 H 1 1.376 0.002 . 1 . 616 . . 8 ALA HB3 . 19195 1 49 . 1 1 8 8 ALA CA C 13 55.321 0.064 . 1 . 519 . A 8 ALA CA . 19195 1 50 . 1 1 8 8 ALA CB C 13 17.954 0.047 . 1 . 18 . A 8 ALA CB . 19195 1 51 . 1 1 8 8 ALA N N 15 124.443 0.013 . 1 . 518 . A 8 ALA N . 19195 1 52 . 1 1 9 9 GLU H H 1 8.646 0.003 . 1 . 16 . A 9 GLU H . 19195 1 53 . 1 1 9 9 GLU HA H 1 3.922 0.004 . 1 . 618 . A 9 GLU HA . 19195 1 54 . 1 1 9 9 GLU HB2 H 1 1.852 0.006 . 2 . 1098 . . 9 GLU HB2 . 19195 1 55 . 1 1 9 9 GLU HB3 H 1 1.957 0.007 . 2 . 1101 . . 9 GLU HB3 . 19195 1 56 . 1 1 9 9 GLU HG2 H 1 2.310 . . 2 . 1100 . . 9 GLU HG2 . 19195 1 57 . 1 1 9 9 GLU HG3 H 1 2.174 . . 2 . 1099 . . 9 GLU HG3 . 19195 1 58 . 1 1 9 9 GLU C C 13 179.280 . . 1 . 23 . A 9 GLU C . 19195 1 59 . 1 1 9 9 GLU CA C 13 60.093 . . 1 . 19 . A 9 GLU CA . 19195 1 60 . 1 1 9 9 GLU CB C 13 28.933 0.015 . 1 . 20 . A 9 GLU CB . 19195 1 61 . 1 1 9 9 GLU N N 15 118.606 0.012 . 1 . 17 . A 9 GLU N . 19195 1 62 . 1 1 10 10 GLN H H 1 7.685 0.002 . 1 . 21 . A 10 GLN H . 19195 1 63 . 1 1 10 10 GLN HA H 1 3.693 0.005 . 1 . 619 . A 10 GLN HA . 19195 1 64 . 1 1 10 10 GLN HB2 H 1 2.043 0.007 . 2 . 1182 . . 10 GLN HB2 . 19195 1 65 . 1 1 10 10 GLN HB3 H 1 1.455 0.01 . 2 . 1181 . . 10 GLN HB3 . 19195 1 66 . 1 1 10 10 GLN HG2 H 1 1.983 0.002 . 2 . 1185 . . 10 GLN HG2 . 19195 1 67 . 1 1 10 10 GLN HG3 H 1 2.067 0.004 . 2 . 1184 . . 10 GLN HG3 . 19195 1 68 . 1 1 10 10 GLN C C 13 177.800 . . 1 . 28 . A 10 GLN C . 19195 1 69 . 1 1 10 10 GLN CA C 13 58.328 0.026 . 1 . 24 . A 10 GLN CA . 19195 1 70 . 1 1 10 10 GLN CB C 13 28.672 0.032 . 1 . 25 . A 10 GLN CB . 19195 1 71 . 1 1 10 10 GLN CG C 13 34.636 0.011 . 1 . 1183 . A 10 GLN CG . 19195 1 72 . 1 1 10 10 GLN N N 15 121.225 0.106 . 1 . 22 . A 10 GLN N . 19195 1 73 . 1 1 11 11 MET H H 1 8.346 0.004 . 1 . 26 . A 11 MET H . 19195 1 74 . 1 1 11 11 MET HA H 1 4.312 0.004 . 1 . 773 . A 11 MET HA . 19195 1 75 . 1 1 11 11 MET HB2 H 1 2.181 0.002 . 2 . 1157 . . 11 MET HB2 . 19195 1 76 . 1 1 11 11 MET HB3 H 1 2.181 0.002 . 2 . 1158 . . 11 MET HB3 . 19195 1 77 . 1 1 11 11 MET HG2 H 1 2.639 0.011 . 2 . 1161 . . 11 MET HG2 . 19195 1 78 . 1 1 11 11 MET HG3 H 1 2.665 0.011 . 2 . 1160 . . 11 MET HG3 . 19195 1 79 . 1 1 11 11 MET HE1 H 1 2.116 0.003 . 1 . 1358 . . 11 MET HE1 . 19195 1 80 . 1 1 11 11 MET HE2 H 1 2.116 0.003 . 1 . 1358 . . 11 MET HE2 . 19195 1 81 . 1 1 11 11 MET HE3 H 1 2.116 0.003 . 1 . 1358 . . 11 MET HE3 . 19195 1 82 . 1 1 11 11 MET C C 13 178.800 . . 1 . 32 . A 11 MET C . 19195 1 83 . 1 1 11 11 MET CA C 13 57.764 0.048 . 1 . 29 . A 11 MET CA . 19195 1 84 . 1 1 11 11 MET CB C 13 30.911 0.053 . 1 . 1156 . A 11 MET CB . 19195 1 85 . 1 1 11 11 MET CG C 13 32.505 0.115 . 1 . 1159 . A 11 MET CG . 19195 1 86 . 1 1 11 11 MET CE C 13 16.812 0.019 . 1 . 1357 . A 11 MET CE . 19195 1 87 . 1 1 11 11 MET N N 15 118.608 0.007 . 1 . 27 . A 11 MET N . 19195 1 88 . 1 1 12 12 GLN H H 1 7.737 0.001 . 1 . 30 . A 12 GLN H . 19195 1 89 . 1 1 12 12 GLN HA H 1 4.054 0.003 . 1 . 620 . A 12 GLN HA . 19195 1 90 . 1 1 12 12 GLN HB2 H 1 2.106 0.004 . 2 . 1192 . . 12 GLN HB2 . 19195 1 91 . 1 1 12 12 GLN HB3 H 1 2.102 0.001 . 2 . 1191 . . 12 GLN HB3 . 19195 1 92 . 1 1 12 12 GLN HG2 H 1 2.379 0.003 . 2 . 1194 . . 12 GLN HG2 . 19195 1 93 . 1 1 12 12 GLN HG3 H 1 2.379 0.003 . 2 . 1193 . . 12 GLN HG3 . 19195 1 94 . 1 1 12 12 GLN C C 13 178.500 . . 1 . 37 . A 12 GLN C . 19195 1 95 . 1 1 12 12 GLN CA C 13 58.776 0.026 . 1 . 33 . A 12 GLN CA . 19195 1 96 . 1 1 12 12 GLN CB C 13 28.168 0.018 . 1 . 34 . A 12 GLN CB . 19195 1 97 . 1 1 12 12 GLN CG C 13 33.793 0.009 . 1 . 1195 . A 12 GLN CG . 19195 1 98 . 1 1 12 12 GLN N N 15 118.886 0.009 . 1 . 31 . A 12 GLN N . 19195 1 99 . 1 1 13 13 GLU H H 1 7.614 0.002 . 1 . 35 . A 13 GLU H . 19195 1 100 . 1 1 13 13 GLU HA H 1 4.057 0.004 . 1 . 774 . A 13 GLU HA . 19195 1 101 . 1 1 13 13 GLU HB2 H 1 1.985 0.002 . 2 . 1186 . . 13 GLU HB2 . 19195 1 102 . 1 1 13 13 GLU HB3 H 1 1.984 0.0 . 2 . 1187 . . 13 GLU HB3 . 19195 1 103 . 1 1 13 13 GLU HG2 H 1 2.327 0.003 . 2 . 1189 . . 13 GLU HG2 . 19195 1 104 . 1 1 13 13 GLU HG3 H 1 2.160 0.004 . 2 . 1188 . . 13 GLU HG3 . 19195 1 105 . 1 1 13 13 GLU C C 13 180.130 . . 1 . 42 . A 13 GLU C . 19195 1 106 . 1 1 13 13 GLU CA C 13 59.477 0.028 . 1 . 38 . A 13 GLU CA . 19195 1 107 . 1 1 13 13 GLU CB C 13 29.118 0.007 . 1 . 39 . A 13 GLU CB . 19195 1 108 . 1 1 13 13 GLU CG C 13 36.061 0.002 . 1 . 1190 . A 13 GLU CG . 19195 1 109 . 1 1 13 13 GLU N N 15 121.503 0.006 . 1 . 36 . A 13 GLU N . 19195 1 110 . 1 1 14 14 PHE H H 1 8.661 0.002 . 1 . 40 . A 14 PHE H . 19195 1 111 . 1 1 14 14 PHE HA H 1 5.120 0.01 . 1 . 775 . A 14 PHE HA . 19195 1 112 . 1 1 14 14 PHE HB2 H 1 3.540 0.01 . 2 . 777 . . 14 PHE HB2 . 19195 1 113 . 1 1 14 14 PHE HB3 H 1 3.415 0.004 . 2 . 776 . . 14 PHE HB3 . 19195 1 114 . 1 1 14 14 PHE HD1 H 1 7.291 0.01 . 3 . 1092 . A 14 PHE HD1 . 19195 1 115 . 1 1 14 14 PHE HD2 H 1 7.291 0.01 . 3 . 1092 . A 14 PHE HD2 . 19195 1 116 . 1 1 14 14 PHE HE1 H 1 7.114 0.007 . 3 . 1260 . A 14 PHE HE1 . 19195 1 117 . 1 1 14 14 PHE HE2 H 1 7.114 0.007 . 3 . 1260 . A 14 PHE HE2 . 19195 1 118 . 1 1 14 14 PHE HZ H 1 6.931 0.006 . 1 . 1367 . A 14 PHE HZ . 19195 1 119 . 1 1 14 14 PHE C C 13 178.400 . . 1 . 47 . A 14 PHE C . 19195 1 120 . 1 1 14 14 PHE CA C 13 57.878 0.09 . 1 . 43 . A 14 PHE CA . 19195 1 121 . 1 1 14 14 PHE CB C 13 37.830 0.024 . 1 . 44 . A 14 PHE CB . 19195 1 122 . 1 1 14 14 PHE CD1 C 13 130.816 0.031 . 3 . 1259 . A 14 PHE CD1 . 19195 1 123 . 1 1 14 14 PHE CD2 C 13 130.816 0.031 . 3 . 1259 . A 14 PHE CD2 . 19195 1 124 . 1 1 14 14 PHE CE1 C 13 131.781 0.04 . 3 . 1261 . A 14 PHE CE1 . 19195 1 125 . 1 1 14 14 PHE CE2 C 13 131.781 0.04 . 3 . 1261 . A 14 PHE CE2 . 19195 1 126 . 1 1 14 14 PHE N N 15 119.656 0.01 . 1 . 41 . A 14 PHE N . 19195 1 127 . 1 1 15 15 LYS H H 1 8.620 0.001 . 1 . 45 . A 15 LYS H . 19195 1 128 . 1 1 15 15 LYS HA H 1 4.030 0.006 . 1 . 778 . A 15 LYS HA . 19195 1 129 . 1 1 15 15 LYS HB2 H 1 1.960 0.004 . 2 . 1202 . . 15 LYS HB2 . 19195 1 130 . 1 1 15 15 LYS HB3 H 1 1.738 0.009 . 2 . 1201 . . 15 LYS HB3 . 19195 1 131 . 1 1 15 15 LYS HG2 H 1 1.185 0.009 . 2 . 1208 . . 15 LYS HG2 . 19195 1 132 . 1 1 15 15 LYS HG3 H 1 1.207 0.013 . 2 . 1207 . . 15 LYS HG3 . 19195 1 133 . 1 1 15 15 LYS HD2 H 1 0.730 0.003 . 2 . 1205 . . 15 LYS HD2 . 19195 1 134 . 1 1 15 15 LYS HD3 H 1 1.386 0.011 . 2 . 1204 . . 15 LYS HD3 . 19195 1 135 . 1 1 15 15 LYS HE3 H 1 2.614 0.003 . 1 . 1210 . . 15 LYS HE3 . 19195 1 136 . 1 1 15 15 LYS C C 13 177.600 . . 1 . 51 . A 15 LYS C . 19195 1 137 . 1 1 15 15 LYS CA C 13 59.095 0.056 . 1 . 612 . A 15 LYS CA . 19195 1 138 . 1 1 15 15 LYS CB C 13 32.008 0.03 . 1 . 48 . A 15 LYS CB . 19195 1 139 . 1 1 15 15 LYS CG C 13 24.639 0.018 . 1 . 1206 . A 15 LYS CG . 19195 1 140 . 1 1 15 15 LYS CD C 13 27.760 0.071 . 1 . 1203 . A 15 LYS CD . 19195 1 141 . 1 1 15 15 LYS CE C 13 41.784 0.031 . 1 . 1209 . A 15 LYS CE . 19195 1 142 . 1 1 15 15 LYS N N 15 121.752 0.015 . 1 . 46 . A 15 LYS N . 19195 1 143 . 1 1 16 16 GLN H H 1 7.994 0.002 . 1 . 49 . A 16 GLN H . 19195 1 144 . 1 1 16 16 GLN HA H 1 4.132 0.002 . 1 . 779 . A 16 GLN HA . 19195 1 145 . 1 1 16 16 GLN HB2 H 1 2.169 0.005 . 2 . 1197 . . 16 GLN HB2 . 19195 1 146 . 1 1 16 16 GLN HB3 H 1 2.238 0.003 . 2 . 1196 . . 16 GLN HB3 . 19195 1 147 . 1 1 16 16 GLN HG2 H 1 2.398 0.0 . 2 . 1200 . . 16 GLN HG2 . 19195 1 148 . 1 1 16 16 GLN HG3 H 1 2.540 0.002 . 2 . 1199 . . 16 GLN HG3 . 19195 1 149 . 1 1 16 16 GLN C C 13 179.570 . . 1 . 56 . A 16 GLN C . 19195 1 150 . 1 1 16 16 GLN CA C 13 59.172 0.001 . 1 . 52 . A 16 GLN CA . 19195 1 151 . 1 1 16 16 GLN CB C 13 28.548 0.016 . 1 . 53 . A 16 GLN CB . 19195 1 152 . 1 1 16 16 GLN CG C 13 34.292 0.001 . 1 . 1198 . A 16 GLN CG . 19195 1 153 . 1 1 16 16 GLN N N 15 117.648 0.006 . 1 . 50 . A 16 GLN N . 19195 1 154 . 1 1 17 17 SER H H 1 8.238 0.003 . 1 . 54 . A 17 SER H . 19195 1 155 . 1 1 17 17 SER HA H 1 4.353 0.01 . 1 . 1103 . A 17 SER HA . 19195 1 156 . 1 1 17 17 SER HB3 H 1 4.211 0.005 . 1 . 1102 . . 17 SER HB3 . 19195 1 157 . 1 1 17 17 SER C C 13 175.100 . . 1 . 61 . A 17 SER C . 19195 1 158 . 1 1 17 17 SER CA C 13 61.404 0.066 . 1 . 57 . A 17 SER CA . 19195 1 159 . 1 1 17 17 SER CB C 13 62.851 0.049 . 1 . 58 . A 17 SER CB . 19195 1 160 . 1 1 17 17 SER N N 15 115.990 0.008 . 1 . 55 . A 17 SER N . 19195 1 161 . 1 1 18 18 PHE H H 1 8.605 0.002 . 1 . 59 . A 18 PHE H . 19195 1 162 . 1 1 18 18 PHE HA H 1 3.626 0.003 . 1 . 780 . A 18 PHE HA . 19195 1 163 . 1 1 18 18 PHE HB2 H 1 3.179 0.006 . 2 . 790 . . 18 PHE HB2 . 19195 1 164 . 1 1 18 18 PHE HB3 H 1 2.955 0.007 . 2 . 789 . . 18 PHE HB3 . 19195 1 165 . 1 1 18 18 PHE HD1 H 1 7.087 0.012 . 3 . 1373 . A 18 PHE HD1 . 19195 1 166 . 1 1 18 18 PHE HD2 H 1 7.087 0.012 . 3 . 1373 . A 18 PHE HD2 . 19195 1 167 . 1 1 18 18 PHE HE1 H 1 7.255 0.005 . 3 . 1374 . A 18 PHE HE1 . 19195 1 168 . 1 1 18 18 PHE HE2 H 1 7.255 0.005 . 3 . 1374 . A 18 PHE HE2 . 19195 1 169 . 1 1 18 18 PHE HZ H 1 6.536 0.001 . 1 . 1378 . A 18 PHE HZ . 19195 1 170 . 1 1 18 18 PHE C C 13 177.400 . . 1 . 66 . A 18 PHE C . 19195 1 171 . 1 1 18 18 PHE CA C 13 62.408 0.037 . 1 . 62 . A 18 PHE CA . 19195 1 172 . 1 1 18 18 PHE CB C 13 40.164 0.029 . 1 . 63 . A 18 PHE CB . 19195 1 173 . 1 1 18 18 PHE N N 15 124.236 0.012 . 1 . 60 . A 18 PHE N . 19195 1 174 . 1 1 19 19 ASP H H 1 8.539 0.002 . 1 . 64 . A 19 ASP H . 19195 1 175 . 1 1 19 19 ASP HA H 1 4.297 0.003 . 1 . 781 . A 19 ASP HA . 19195 1 176 . 1 1 19 19 ASP HB2 H 1 2.582 0.001 . 2 . 788 . . 19 ASP HB2 . 19195 1 177 . 1 1 19 19 ASP HB3 H 1 2.741 0.001 . 2 . 787 . . 19 ASP HB3 . 19195 1 178 . 1 1 19 19 ASP C C 13 178.900 . . 1 . 71 . A 19 ASP C . 19195 1 179 . 1 1 19 19 ASP CA C 13 57.151 0.023 . 1 . 67 . A 19 ASP CA . 19195 1 180 . 1 1 19 19 ASP CB C 13 40.100 . . 1 . 68 . A 19 ASP CB . 19195 1 181 . 1 1 19 19 ASP N N 15 116.393 0.018 . 1 . 65 . A 19 ASP N . 19195 1 182 . 1 1 20 20 ALA H H 1 7.600 0.003 . 1 . 69 . A 20 ALA H . 19195 1 183 . 1 1 20 20 ALA HA H 1 3.865 0.001 . 1 . 782 . A 20 ALA HA . 19195 1 184 . 1 1 20 20 ALA HB1 H 1 1.187 0.008 . 1 . 623 . . 20 ALA HB1 . 19195 1 185 . 1 1 20 20 ALA HB2 H 1 1.187 0.008 . 1 . 623 . . 20 ALA HB2 . 19195 1 186 . 1 1 20 20 ALA HB3 H 1 1.187 0.008 . 1 . 623 . . 20 ALA HB3 . 19195 1 187 . 1 1 20 20 ALA C C 13 179.350 . . 1 . 76 . A 20 ALA C . 19195 1 188 . 1 1 20 20 ALA CA C 13 54.443 0.045 . 1 . 72 . A 20 ALA CA . 19195 1 189 . 1 1 20 20 ALA CB C 13 17.830 0.019 . 1 . 73 . A 20 ALA CB . 19195 1 190 . 1 1 20 20 ALA N N 15 121.291 0.007 . 1 . 70 . A 20 ALA N . 19195 1 191 . 1 1 21 21 PHE H H 1 7.308 0.003 . 1 . 74 . A 21 PHE H . 19195 1 192 . 1 1 21 21 PHE HA H 1 4.287 0.004 . 1 . 783 . A 21 PHE HA . 19195 1 193 . 1 1 21 21 PHE HB2 H 1 3.196 0.005 . 2 . 785 . . 21 PHE HB2 . 19195 1 194 . 1 1 21 21 PHE HB3 H 1 2.455 0.007 . 2 . 784 . . 21 PHE HB3 . 19195 1 195 . 1 1 21 21 PHE HD1 H 1 7.503 0.008 . 3 . 1370 . A 21 PHE HD1 . 19195 1 196 . 1 1 21 21 PHE HD2 H 1 7.503 0.008 . 3 . 1370 . A 21 PHE HD2 . 19195 1 197 . 1 1 21 21 PHE HE1 H 1 7.293 0.001 . 3 . 1371 . A 21 PHE HE1 . 19195 1 198 . 1 1 21 21 PHE HE2 H 1 7.293 0.001 . 3 . 1371 . A 21 PHE HE2 . 19195 1 199 . 1 1 21 21 PHE C C 13 175.000 . . 1 . 81 . A 21 PHE C . 19195 1 200 . 1 1 21 21 PHE CA C 13 59.469 0.038 . 1 . 77 . A 21 PHE CA . 19195 1 201 . 1 1 21 21 PHE CB C 13 39.508 0.037 . 1 . 78 . A 21 PHE CB . 19195 1 202 . 1 1 21 21 PHE N N 15 114.007 0.011 . 1 . 75 . A 21 PHE N . 19195 1 203 . 1 1 22 22 ASP H H 1 7.356 0.002 . 1 . 79 . A 22 ASP H . 19195 1 204 . 1 1 22 22 ASP HA H 1 4.402 0.003 . 1 . 786 . A 22 ASP HA . 19195 1 205 . 1 1 22 22 ASP HB2 H 1 1.895 0.006 . 2 . 792 . . 22 ASP HB2 . 19195 1 206 . 1 1 22 22 ASP HB3 H 1 2.713 0.003 . 2 . 791 . . 22 ASP HB3 . 19195 1 207 . 1 1 22 22 ASP C C 13 177.500 . . 1 . 86 . A 22 ASP C . 19195 1 208 . 1 1 22 22 ASP CA C 13 52.146 0.072 . 1 . 82 . A 22 ASP CA . 19195 1 209 . 1 1 22 22 ASP CB C 13 38.170 0.009 . 1 . 83 . A 22 ASP CB . 19195 1 210 . 1 1 22 22 ASP N N 15 122.514 0.012 . 1 . 80 . A 22 ASP N . 19195 1 211 . 1 1 23 23 GLY H H 1 7.578 0.004 . 1 . 84 . A 23 GLY H . 19195 1 212 . 1 1 23 23 GLY HA2 H 1 3.762 0.002 . 2 . 794 . . 23 GLY HA2 . 19195 1 213 . 1 1 23 23 GLY HA3 H 1 3.574 0.005 . 2 . 793 . . 23 GLY HA3 . 19195 1 214 . 1 1 23 23 GLY C C 13 174.300 . . 1 . 90 . A 23 GLY C . 19195 1 215 . 1 1 23 23 GLY CA C 13 47.327 0.036 . 1 . 87 . A 23 GLY CA . 19195 1 216 . 1 1 23 23 GLY N N 15 111.760 0.011 . 1 . 85 . A 23 GLY N . 19195 1 217 . 1 1 24 24 ASN H H 1 7.506 0.002 . 1 . 88 . A 24 ASN H . 19195 1 218 . 1 1 24 24 ASN HA H 1 4.578 0.001 . 1 . 795 . A 24 ASN HA . 19195 1 219 . 1 1 24 24 ASN HB2 H 1 2.656 0.002 . 2 . 797 . . 24 ASN HB2 . 19195 1 220 . 1 1 24 24 ASN HB3 H 1 3.146 0.003 . 2 . 796 . . 24 ASN HB3 . 19195 1 221 . 1 1 24 24 ASN C C 13 175.100 . . 1 . 95 . A 24 ASN C . 19195 1 222 . 1 1 24 24 ASN CA C 13 50.900 0.067 . 1 . 91 . A 24 ASN CA . 19195 1 223 . 1 1 24 24 ASN CB C 13 36.737 0.01 . 1 . 92 . A 24 ASN CB . 19195 1 224 . 1 1 24 24 ASN N N 15 113.459 0.018 . 1 . 89 . A 24 ASN N . 19195 1 225 . 1 1 25 25 HIS H H 1 7.567 0.001 . 1 . 93 . A 25 HIS H . 19195 1 226 . 1 1 25 25 HIS HA H 1 4.194 0.004 . 1 . 798 . A 25 HIS HA . 19195 1 227 . 1 1 25 25 HIS HB2 H 1 3.257 0.002 . 1 . 759 . . 25 HIS HB2 . 19195 1 228 . 1 1 25 25 HIS C C 13 174.100 . . 1 . 100 . A 25 HIS C . 19195 1 229 . 1 1 25 25 HIS CA C 13 56.193 0.091 . 1 . 96 . A 25 HIS CA . 19195 1 230 . 1 1 25 25 HIS CB C 13 26.312 0.024 . 1 . 97 . A 25 HIS CB . 19195 1 231 . 1 1 25 25 HIS N N 15 115.226 0.01 . 1 . 94 . A 25 HIS N . 19195 1 232 . 1 1 26 26 ASP H H 1 8.209 0.002 . 1 . 98 . A 26 ASP H . 19195 1 233 . 1 1 26 26 ASP HA H 1 4.650 0.003 . 1 . 799 . A 26 ASP HA . 19195 1 234 . 1 1 26 26 ASP HB2 H 1 3.000 0.002 . 2 . 1139 . . 26 ASP HB2 . 19195 1 235 . 1 1 26 26 ASP HB3 H 1 2.294 0.002 . 2 . 800 . . 26 ASP HB3 . 19195 1 236 . 1 1 26 26 ASP CA C 13 53.145 0.071 . 1 . 101 . A 26 ASP CA . 19195 1 237 . 1 1 26 26 ASP CB C 13 40.831 0.021 . 1 . 102 . A 26 ASP CB . 19195 1 238 . 1 1 26 26 ASP N N 15 118.449 0.012 . 1 . 99 . A 26 ASP N . 19195 1 239 . 1 1 27 27 GLY H H 1 10.418 0.001 . 1 . 566 . A 27 GLY H . 19195 1 240 . 1 1 27 27 GLY HA2 H 1 3.640 0.003 . 2 . 702 . . 27 GLY HA2 . 19195 1 241 . 1 1 27 27 GLY HA3 H 1 4.167 0.003 . 2 . 701 . . 27 GLY HA3 . 19195 1 242 . 1 1 27 27 GLY C C 13 172.600 . . 1 . 105 . A 27 GLY C . 19195 1 243 . 1 1 27 27 GLY CA C 13 45.746 0.052 . 1 . 106 . A 27 GLY CA . 19195 1 244 . 1 1 27 27 GLY N N 15 113.412 0.002 . 1 . 565 . A 27 GLY N . 19195 1 245 . 1 1 28 28 ILE H H 1 7.656 0.002 . 1 . 103 . A 28 ILE H . 19195 1 246 . 1 1 28 28 ILE HA H 1 4.773 0.004 . 1 . 1340 . A 28 ILE HA . 19195 1 247 . 1 1 28 28 ILE HB H 1 1.474 0.009 . 1 . 693 . A 28 ILE HB . 19195 1 248 . 1 1 28 28 ILE HG12 H 1 1.313 0.004 . 2 . 695 . . 28 ILE HG12 . 19195 1 249 . 1 1 28 28 ILE HG13 H 1 0.868 0.005 . 2 . 696 . . 28 ILE HG13 . 19195 1 250 . 1 1 28 28 ILE HG21 H 1 0.675 0.005 . 1 . 700 . . 28 ILE HG21 . 19195 1 251 . 1 1 28 28 ILE HG22 H 1 0.675 0.005 . 1 . 700 . . 28 ILE HG22 . 19195 1 252 . 1 1 28 28 ILE HG23 H 1 0.675 0.005 . 1 . 700 . . 28 ILE HG23 . 19195 1 253 . 1 1 28 28 ILE HD11 H 1 0.660 0.006 . 1 . 698 . . 28 ILE HD11 . 19195 1 254 . 1 1 28 28 ILE HD12 H 1 0.660 0.006 . 1 . 698 . . 28 ILE HD12 . 19195 1 255 . 1 1 28 28 ILE HD13 H 1 0.660 0.006 . 1 . 698 . . 28 ILE HD13 . 19195 1 256 . 1 1 28 28 ILE C C 13 175.500 . . 1 . 111 . A 28 ILE C . 19195 1 257 . 1 1 28 28 ILE CA C 13 58.674 0.052 . 1 . 107 . A 28 ILE CA . 19195 1 258 . 1 1 28 28 ILE CB C 13 42.992 0.017 . 1 . 108 . A 28 ILE CB . 19195 1 259 . 1 1 28 28 ILE CG1 C 13 26.830 0.053 . 1 . 694 . A 28 ILE CG1 . 19195 1 260 . 1 1 28 28 ILE CG2 C 13 18.145 0.029 . 1 . 699 . A 28 ILE CG2 . 19195 1 261 . 1 1 28 28 ILE CD1 C 13 12.966 0.022 . 1 . 697 . A 28 ILE CD1 . 19195 1 262 . 1 1 28 28 ILE N N 15 117.354 0.006 . 1 . 104 . A 28 ILE N . 19195 1 263 . 1 1 29 29 LEU H H 1 8.920 0.002 . 1 . 109 . A 29 LEU H . 19195 1 264 . 1 1 29 29 LEU HA H 1 5.405 0.005 . 1 . 758 . A 29 LEU HA . 19195 1 265 . 1 1 29 29 LEU HB2 H 1 1.030 0.004 . 2 . 757 . . 29 LEU HB2 . 19195 1 266 . 1 1 29 29 LEU HB3 H 1 1.846 0.008 . 2 . 756 . . 29 LEU HB3 . 19195 1 267 . 1 1 29 29 LEU HG H 1 0.980 0.005 . 1 . 754 . A 29 LEU HG . 19195 1 268 . 1 1 29 29 LEU HD11 H 1 0.151 0.007 . 2 . 750 . . 29 LEU HD11 . 19195 1 269 . 1 1 29 29 LEU HD12 H 1 0.151 0.007 . 2 . 750 . . 29 LEU HD12 . 19195 1 270 . 1 1 29 29 LEU HD13 H 1 0.151 0.007 . 2 . 750 . . 29 LEU HD13 . 19195 1 271 . 1 1 29 29 LEU HD21 H 1 0.617 0.007 . 2 . 751 . . 29 LEU HD21 . 19195 1 272 . 1 1 29 29 LEU HD22 H 1 0.617 0.007 . 2 . 751 . . 29 LEU HD22 . 19195 1 273 . 1 1 29 29 LEU HD23 H 1 0.617 0.007 . 2 . 751 . . 29 LEU HD23 . 19195 1 274 . 1 1 29 29 LEU C C 13 176.000 . . 1 . 116 . A 29 LEU C . 19195 1 275 . 1 1 29 29 LEU CA C 13 52.435 0.07 . 1 . 112 . A 29 LEU CA . 19195 1 276 . 1 1 29 29 LEU CB C 13 41.776 0.039 . 1 . 113 . A 29 LEU CB . 19195 1 277 . 1 1 29 29 LEU CG C 13 25.806 0.063 . 1 . 755 . A 29 LEU CG . 19195 1 278 . 1 1 29 29 LEU CD1 C 13 22.387 0.047 . 2 . 752 . A 29 LEU CD1 . 19195 1 279 . 1 1 29 29 LEU CD2 C 13 27.930 0.086 . 2 . 753 . A 29 LEU CD2 . 19195 1 280 . 1 1 29 29 LEU N N 15 126.371 0.012 . 1 . 110 . A 29 LEU N . 19195 1 281 . 1 1 30 30 ASP H H 1 9.230 0.002 . 1 . 114 . A 30 ASP H . 19195 1 282 . 1 1 30 30 ASP HA H 1 4.658 0.003 . 1 . 801 . A 30 ASP HA . 19195 1 283 . 1 1 30 30 ASP HB2 H 1 3.221 0.005 . 2 . 1138 . . 30 ASP HB2 . 19195 1 284 . 1 1 30 30 ASP HB3 H 1 2.574 0.001 . 2 . 802 . . 30 ASP HB3 . 19195 1 285 . 1 1 30 30 ASP C C 13 174.700 . . 1 . 121 . A 30 ASP C . 19195 1 286 . 1 1 30 30 ASP CA C 13 52.633 0.039 . 1 . 117 . A 30 ASP CA . 19195 1 287 . 1 1 30 30 ASP CB C 13 40.606 0.017 . 1 . 118 . A 30 ASP CB . 19195 1 288 . 1 1 30 30 ASP N N 15 125.973 0.012 . 1 . 115 . A 30 ASP N . 19195 1 289 . 1 1 31 31 LYS H H 1 8.140 0.003 . 1 . 119 . A 31 LYS H . 19195 1 290 . 1 1 31 31 LYS HA H 1 3.583 0.007 . 1 . 1212 . A 31 LYS HA . 19195 1 291 . 1 1 31 31 LYS HB2 H 1 1.206 0.005 . 2 . 1213 . . 31 LYS HB2 . 19195 1 292 . 1 1 31 31 LYS HB3 H 1 1.552 0.005 . 2 . 1211 . . 31 LYS HB3 . 19195 1 293 . 1 1 31 31 LYS HG2 H 1 0.379 0.001 . 2 . 1150 . . 31 LYS HG2 . 19195 1 294 . 1 1 31 31 LYS HG3 H 1 1.134 0.007 . 2 . 1154 . . 31 LYS HG3 . 19195 1 295 . 1 1 31 31 LYS HD2 H 1 1.355 0.002 . 2 . 1216 . . 31 LYS HD2 . 19195 1 296 . 1 1 31 31 LYS HD3 H 1 1.118 0.005 . 2 . 1215 . . 31 LYS HD3 . 19195 1 297 . 1 1 31 31 LYS HE2 H 1 2.719 0.001 . 2 . 1151 . . 31 LYS HE2 . 19195 1 298 . 1 1 31 31 LYS HE3 H 1 2.401 0.003 . 2 . 1153 . . 31 LYS HE3 . 19195 1 299 . 1 1 31 31 LYS C C 13 180.090 . . 1 . 126 . A 31 LYS C . 19195 1 300 . 1 1 31 31 LYS CA C 13 60.769 0.028 . 1 . 122 . A 31 LYS CA . 19195 1 301 . 1 1 31 31 LYS CB C 13 33.070 0.01 . 1 . 123 . A 31 LYS CB . 19195 1 302 . 1 1 31 31 LYS CG C 13 26.728 0.023 . 1 . 1152 . A 31 LYS CG . 19195 1 303 . 1 1 31 31 LYS CD C 13 29.689 0.023 . 1 . 1214 . A 31 LYS CD . 19195 1 304 . 1 1 31 31 LYS CE C 13 42.200 0.018 . 1 . 1155 . A 31 LYS CE . 19195 1 305 . 1 1 31 31 LYS N N 15 116.128 0.005 . 1 . 120 . A 31 LYS N . 19195 1 306 . 1 1 32 32 LEU H H 1 8.005 0.002 . 1 . 124 . A 32 LEU H . 19195 1 307 . 1 1 32 32 LEU HA H 1 4.126 0.006 . 1 . 803 . A 32 LEU HA . 19195 1 308 . 1 1 32 32 LEU HB2 H 1 1.827 0.005 . 2 . 805 . . 32 LEU HB2 . 19195 1 309 . 1 1 32 32 LEU HB3 H 1 1.555 0.004 . 2 . 804 . . 32 LEU HB3 . 19195 1 310 . 1 1 32 32 LEU HG H 1 1.571 0.007 . 1 . 1087 . A 32 LEU HG . 19195 1 311 . 1 1 32 32 LEU HD11 H 1 0.831 0.003 . 2 . 1082 . . 32 LEU HD11 . 19195 1 312 . 1 1 32 32 LEU HD12 H 1 0.831 0.003 . 2 . 1082 . . 32 LEU HD12 . 19195 1 313 . 1 1 32 32 LEU HD13 H 1 0.831 0.003 . 2 . 1082 . . 32 LEU HD13 . 19195 1 314 . 1 1 32 32 LEU HD21 H 1 0.758 0.003 . 2 . 1083 . . 32 LEU HD21 . 19195 1 315 . 1 1 32 32 LEU HD22 H 1 0.758 0.003 . 2 . 1083 . . 32 LEU HD22 . 19195 1 316 . 1 1 32 32 LEU HD23 H 1 0.758 0.003 . 2 . 1083 . . 32 LEU HD23 . 19195 1 317 . 1 1 32 32 LEU C C 13 177.500 . . 1 . 129 . A 32 LEU C . 19195 1 318 . 1 1 32 32 LEU CA C 13 57.668 0.021 . 1 . 127 . A 32 LEU CA . 19195 1 319 . 1 1 32 32 LEU CB C 13 41.405 0.013 . 1 . 128 . A 32 LEU CB . 19195 1 320 . 1 1 32 32 LEU CG C 13 27.428 0.022 . 1 . 1086 . A 32 LEU CG . 19195 1 321 . 1 1 32 32 LEU CD1 C 13 24.680 0.036 . 2 . 1085 . A 32 LEU CD1 . 19195 1 322 . 1 1 32 32 LEU CD2 C 13 23.478 0.033 . 2 . 1084 . A 32 LEU CD2 . 19195 1 323 . 1 1 32 32 LEU N N 15 120.781 0.017 . 1 . 125 . A 32 LEU N . 19195 1 324 . 1 1 33 33 GLU H H 1 8.790 0.002 . 1 . 554 . A 33 GLU H . 19195 1 325 . 1 1 33 33 GLU HA H 1 4.113 0.002 . 1 . 1220 . A 33 GLU HA . 19195 1 326 . 1 1 33 33 GLU HB2 H 1 2.204 0.007 . 2 . 809 . . 33 GLU HB2 . 19195 1 327 . 1 1 33 33 GLU HB3 H 1 2.209 0.003 . 2 . 1221 . . 33 GLU HB3 . 19195 1 328 . 1 1 33 33 GLU HG2 H 1 2.815 0.005 . 2 . 1219 . . 33 GLU HG2 . 19195 1 329 . 1 1 33 33 GLU HG3 H 1 2.340 0.004 . 2 . 1218 . . 33 GLU HG3 . 19195 1 330 . 1 1 33 33 GLU CA C 13 59.037 0.036 . 1 . 130 . A 33 GLU CA . 19195 1 331 . 1 1 33 33 GLU CB C 13 31.189 0.022 . 1 . 133 . A 33 GLU CB . 19195 1 332 . 1 1 33 33 GLU CG C 13 36.313 0.001 . 1 . 1217 . A 33 GLU CG . 19195 1 333 . 1 1 33 33 GLU N N 15 124.356 0.006 . 1 . 553 . A 33 GLU N . 19195 1 334 . 1 1 34 34 PHE H H 1 9.487 0.003 . 1 . 131 . A 34 PHE H . 19195 1 335 . 1 1 34 34 PHE HA H 1 4.300 0.005 . 1 . 806 . A 34 PHE HA . 19195 1 336 . 1 1 34 34 PHE HB2 H 1 3.058 0.004 . 2 . 808 . . 34 PHE HB2 . 19195 1 337 . 1 1 34 34 PHE HB3 H 1 3.420 0.008 . 2 . 807 . . 34 PHE HB3 . 19195 1 338 . 1 1 34 34 PHE HD1 H 1 7.553 0.005 . 3 . 1110 . A 34 PHE HD1 . 19195 1 339 . 1 1 34 34 PHE HD2 H 1 7.553 0.005 . 3 . 1110 . A 34 PHE HD2 . 19195 1 340 . 1 1 34 34 PHE HE1 H 1 6.986 0.004 . 3 . 1263 . A 34 PHE HE1 . 19195 1 341 . 1 1 34 34 PHE HE2 H 1 6.986 0.004 . 3 . 1263 . A 34 PHE HE2 . 19195 1 342 . 1 1 34 34 PHE HZ H 1 6.416 0.006 . 1 . 1368 . A 34 PHE HZ . 19195 1 343 . 1 1 34 34 PHE C C 13 176.500 . . 1 . 138 . A 34 PHE C . 19195 1 344 . 1 1 34 34 PHE CA C 13 59.766 0.045 . 1 . 134 . A 34 PHE CA . 19195 1 345 . 1 1 34 34 PHE CB C 13 36.975 0.033 . 1 . 135 . A 34 PHE CB . 19195 1 346 . 1 1 34 34 PHE CD1 C 13 132.221 0.062 . 3 . 1262 . A 34 PHE CD1 . 19195 1 347 . 1 1 34 34 PHE CD2 C 13 132.221 0.062 . 3 . 1262 . A 34 PHE CD2 . 19195 1 348 . 1 1 34 34 PHE N N 15 118.327 0.008 . 1 . 132 . A 34 PHE N . 19195 1 349 . 1 1 35 35 ARG H H 1 7.099 0.002 . 1 . 136 . A 35 ARG H . 19195 1 350 . 1 1 35 35 ARG HA H 1 3.118 0.008 . 1 . 1141 . A 35 ARG HA . 19195 1 351 . 1 1 35 35 ARG HB2 H 1 1.361 0.005 . 2 . 1142 . . 35 ARG HB2 . 19195 1 352 . 1 1 35 35 ARG HB3 H 1 1.606 0.004 . 2 . 1143 . . 35 ARG HB3 . 19195 1 353 . 1 1 35 35 ARG HG2 H 1 1.110 0.004 . 2 . 1146 . . 35 ARG HG2 . 19195 1 354 . 1 1 35 35 ARG HG3 H 1 0.108 0.002 . 2 . 1145 . . 35 ARG HG3 . 19195 1 355 . 1 1 35 35 ARG HD2 H 1 2.579 0.001 . 2 . 1148 . . 35 ARG HD2 . 19195 1 356 . 1 1 35 35 ARG HD3 H 1 2.442 0.002 . 2 . 1149 . . 35 ARG HD3 . 19195 1 357 . 1 1 35 35 ARG C C 13 178.700 . . 1 . 143 . A 35 ARG C . 19195 1 358 . 1 1 35 35 ARG CA C 13 59.739 0.049 . 1 . 139 . A 35 ARG CA . 19195 1 359 . 1 1 35 35 ARG CB C 13 29.600 0.063 . 1 . 140 . A 35 ARG CB . 19195 1 360 . 1 1 35 35 ARG CG C 13 27.536 0.027 . 1 . 1144 . A 35 ARG CG . 19195 1 361 . 1 1 35 35 ARG CD C 13 43.033 0.015 . 1 . 1147 . A 35 ARG CD . 19195 1 362 . 1 1 35 35 ARG N N 15 121.806 0.008 . 1 . 137 . A 35 ARG N . 19195 1 363 . 1 1 36 36 SER H H 1 7.690 0.002 . 1 . 141 . A 36 SER H . 19195 1 364 . 1 1 36 36 SER HA H 1 3.957 0.002 . 1 . 1105 . A 36 SER HA . 19195 1 365 . 1 1 36 36 SER HB2 H 1 4.040 0.003 . 2 . 1106 . . 36 SER HB2 . 19195 1 366 . 1 1 36 36 SER HB3 H 1 4.095 0.001 . 2 . 1104 . . 36 SER HB3 . 19195 1 367 . 1 1 36 36 SER CA C 13 61.673 0.056 . 1 . 144 . A 36 SER CA . 19195 1 368 . 1 1 36 36 SER CB C 13 62.650 0.056 . 1 . 145 . A 36 SER CB . 19195 1 369 . 1 1 36 36 SER N N 15 115.789 0.013 . 1 . 142 . A 36 SER N . 19195 1 370 . 1 1 37 37 CYS H H 1 7.528 0.002 . 1 . 552 . A 37 CYS H . 19195 1 371 . 1 1 37 37 CYS HA H 1 2.067 0.01 . 1 . 810 . A 37 CYS HA . 19195 1 372 . 1 1 37 37 CYS HB2 H 1 2.081 0.005 . 2 . 1109 . . 37 CYS HB2 . 19195 1 373 . 1 1 37 37 CYS HB3 H 1 2.772 0.006 . 2 . 1108 . . 37 CYS HB3 . 19195 1 374 . 1 1 37 37 CYS CA C 13 61.148 0.029 . 1 . 611 . A 37 CYS CA . 19195 1 375 . 1 1 37 37 CYS CB C 13 26.027 0.032 . 1 . 1107 . A 37 CYS CB . 19195 1 376 . 1 1 37 37 CYS N N 15 123.683 0.007 . 1 . 551 . A 37 CYS N . 19195 1 377 . 1 1 38 38 LEU H H 1 7.901 0.003 . 1 . 550 . A 38 LEU H . 19195 1 378 . 1 1 38 38 LEU HA H 1 3.701 0.004 . 1 . 811 . A 38 LEU HA . 19195 1 379 . 1 1 38 38 LEU HB2 H 1 1.408 0.007 . 2 . 1063 . . 38 LEU HB2 . 19195 1 380 . 1 1 38 38 LEU HB3 H 1 1.057 0.009 . 2 . 1060 . . 38 LEU HB3 . 19195 1 381 . 1 1 38 38 LEU HG H 1 1.015 0.008 . 1 . 1065 . A 38 LEU HG . 19195 1 382 . 1 1 38 38 LEU HD11 H 1 0.442 0.005 . 2 . 1061 . . 38 LEU HD11 . 19195 1 383 . 1 1 38 38 LEU HD12 H 1 0.442 0.005 . 2 . 1061 . . 38 LEU HD12 . 19195 1 384 . 1 1 38 38 LEU HD13 H 1 0.442 0.005 . 2 . 1061 . . 38 LEU HD13 . 19195 1 385 . 1 1 38 38 LEU HD21 H 1 0.541 0.007 . 2 . 1062 . . 38 LEU HD21 . 19195 1 386 . 1 1 38 38 LEU HD22 H 1 0.541 0.007 . 2 . 1062 . . 38 LEU HD22 . 19195 1 387 . 1 1 38 38 LEU HD23 H 1 0.541 0.007 . 2 . 1062 . . 38 LEU HD23 . 19195 1 388 . 1 1 38 38 LEU C C 13 180.320 . . 1 . 148 . A 38 LEU C . 19195 1 389 . 1 1 38 38 LEU CA C 13 58.198 0.014 . 1 . 149 . A 38 LEU CA . 19195 1 390 . 1 1 38 38 LEU CB C 13 41.143 0.051 . 1 . 1059 . A 38 LEU CB . 19195 1 391 . 1 1 38 38 LEU CG C 13 26.393 0.056 . 1 . 1064 . A 38 LEU CG . 19195 1 392 . 1 1 38 38 LEU CD1 C 13 25.817 0.06 . 2 . 1067 . A 38 LEU CD1 . 19195 1 393 . 1 1 38 38 LEU CD2 C 13 22.739 0.038 . 2 . 1066 . A 38 LEU CD2 . 19195 1 394 . 1 1 38 38 LEU N N 15 117.642 0.014 . 1 . 549 . A 38 LEU N . 19195 1 395 . 1 1 39 39 SER H H 1 8.344 0.003 . 1 . 146 . A 39 SER H . 19195 1 396 . 1 1 39 39 SER HA H 1 4.118 0.004 . 1 . 1115 . A 39 SER HA . 19195 1 397 . 1 1 39 39 SER HB2 H 1 3.754 0.005 . 2 . 1116 . . 39 SER HB2 . 19195 1 398 . 1 1 39 39 SER HB3 H 1 3.698 0.004 . 2 . 1114 . . 39 SER HB3 . 19195 1 399 . 1 1 39 39 SER C C 13 178.300 . . 1 . 153 . A 39 SER C . 19195 1 400 . 1 1 39 39 SER CA C 13 61.488 0.028 . 1 . 548 . A 39 SER CA . 19195 1 401 . 1 1 39 39 SER CB C 13 62.551 0.061 . 1 . 150 . A 39 SER CB . 19195 1 402 . 1 1 39 39 SER N N 15 115.268 0.011 . 1 . 147 . A 39 SER N . 19195 1 403 . 1 1 40 40 SER H H 1 7.900 0.003 . 1 . 151 . A 40 SER H . 19195 1 404 . 1 1 40 40 SER HA H 1 4.253 0.001 . 1 . 1113 . A 40 SER HA . 19195 1 405 . 1 1 40 40 SER HB3 H 1 4.088 0.003 . 1 . 813 . . 40 SER HB3 . 19195 1 406 . 1 1 40 40 SER C C 13 175.800 . . 1 . 157 . A 40 SER C . 19195 1 407 . 1 1 40 40 SER CA C 13 61.687 0.067 . 1 . 1112 . A 40 SER CA . 19195 1 408 . 1 1 40 40 SER CB C 13 63.050 0.111 . 1 . 154 . A 40 SER CB . 19195 1 409 . 1 1 40 40 SER N N 15 119.842 0.006 . 1 . 152 . A 40 SER N . 19195 1 410 . 1 1 41 41 MET H H 1 7.364 0.003 . 1 . 155 . A 41 MET H . 19195 1 411 . 1 1 41 41 MET HA H 1 4.427 0.002 . 1 . 814 . A 41 MET HA . 19195 1 412 . 1 1 41 41 MET HB2 H 1 1.899 0.001 . 2 . 1166 . . 41 MET HB2 . 19195 1 413 . 1 1 41 41 MET HB3 H 1 2.217 0.005 . 2 . 1167 . . 41 MET HB3 . 19195 1 414 . 1 1 41 41 MET HG2 H 1 2.561 0.003 . 2 . 1164 . . 41 MET HG2 . 19195 1 415 . 1 1 41 41 MET HG3 H 1 2.731 0.003 . 2 . 1163 . . 41 MET HG3 . 19195 1 416 . 1 1 41 41 MET HE1 H 1 2.141 0.004 . 1 . 1360 . . 41 MET HE1 . 19195 1 417 . 1 1 41 41 MET HE2 H 1 2.141 0.004 . 1 . 1360 . . 41 MET HE2 . 19195 1 418 . 1 1 41 41 MET HE3 H 1 2.141 0.004 . 1 . 1360 . . 41 MET HE3 . 19195 1 419 . 1 1 41 41 MET C C 13 176.200 . . 1 . 161 . A 41 MET C . 19195 1 420 . 1 1 41 41 MET CA C 13 56.154 0.043 . 1 . 158 . A 41 MET CA . 19195 1 421 . 1 1 41 41 MET CB C 13 34.320 0.02 . 1 . 1165 . A 41 MET CB . 19195 1 422 . 1 1 41 41 MET CG C 13 32.842 0.018 . 1 . 1162 . A 41 MET CG . 19195 1 423 . 1 1 41 41 MET CE C 13 17.864 0.036 . 1 . 1359 . A 41 MET CE . 19195 1 424 . 1 1 41 41 MET N N 15 117.799 0.009 . 1 . 156 . A 41 MET N . 19195 1 425 . 1 1 42 42 GLY H H 1 7.741 0.002 . 1 . 159 . A 42 GLY H . 19195 1 426 . 1 1 42 42 GLY HA2 H 1 4.011 0.001 . 2 . 816 . . 42 GLY HA2 . 19195 1 427 . 1 1 42 42 GLY HA3 H 1 3.934 0.001 . 2 . 815 . . 42 GLY HA3 . 19195 1 428 . 1 1 42 42 GLY C C 13 175.100 . . 1 . 165 . A 42 GLY C . 19195 1 429 . 1 1 42 42 GLY CA C 13 46.107 . . 1 . 162 . A 42 GLY CA . 19195 1 430 . 1 1 42 42 GLY N N 15 107.942 0.01 . 1 . 160 . A 42 GLY N . 19195 1 431 . 1 1 43 43 LEU H H 1 7.721 0.001 . 1 . 163 . A 43 LEU H . 19195 1 432 . 1 1 43 43 LEU HA H 1 4.192 0.002 . 1 . 817 . A 43 LEU HA . 19195 1 433 . 1 1 43 43 LEU HB2 H 1 1.520 0.014 . 2 . 1073 . . 43 LEU HB2 . 19195 1 434 . 1 1 43 43 LEU HB3 H 1 1.575 0.004 . 2 . 1072 . . 43 LEU HB3 . 19195 1 435 . 1 1 43 43 LEU HG H 1 1.476 0.002 . 1 . 1075 . A 43 LEU HG . 19195 1 436 . 1 1 43 43 LEU HD11 H 1 0.792 0.003 . 2 . 1069 . . 43 LEU HD11 . 19195 1 437 . 1 1 43 43 LEU HD12 H 1 0.792 0.003 . 2 . 1069 . . 43 LEU HD12 . 19195 1 438 . 1 1 43 43 LEU HD13 H 1 0.792 0.003 . 2 . 1069 . . 43 LEU HD13 . 19195 1 439 . 1 1 43 43 LEU HD21 H 1 0.938 0.008 . 2 . 1070 . . 43 LEU HD21 . 19195 1 440 . 1 1 43 43 LEU HD22 H 1 0.938 0.008 . 2 . 1070 . . 43 LEU HD22 . 19195 1 441 . 1 1 43 43 LEU HD23 H 1 0.938 0.008 . 2 . 1070 . . 43 LEU HD23 . 19195 1 442 . 1 1 43 43 LEU C C 13 176.200 . . 1 . 170 . A 43 LEU C . 19195 1 443 . 1 1 43 43 LEU CA C 13 55.772 0.071 . 1 . 166 . A 43 LEU CA . 19195 1 444 . 1 1 43 43 LEU CB C 13 43.192 0.051 . 1 . 167 . A 43 LEU CB . 19195 1 445 . 1 1 43 43 LEU CG C 13 27.502 0.022 . 1 . 1074 . A 43 LEU CG . 19195 1 446 . 1 1 43 43 LEU CD1 C 13 22.885 0.031 . 2 . 1068 . A 43 LEU CD1 . 19195 1 447 . 1 1 43 43 LEU CD2 C 13 25.908 0.059 . 2 . 1071 . A 43 LEU CD2 . 19195 1 448 . 1 1 43 43 LEU N N 15 118.548 0.008 . 1 . 164 . A 43 LEU N . 19195 1 449 . 1 1 44 44 ILE H H 1 7.024 0.011 . 1 . 168 . A 44 ILE H . 19195 1 450 . 1 1 44 44 ILE HA H 1 4.327 0.005 . 1 . 739 . A 44 ILE HA . 19195 1 451 . 1 1 44 44 ILE HB H 1 1.734 0.01 . 1 . 740 . A 44 ILE HB . 19195 1 452 . 1 1 44 44 ILE HG12 H 1 1.107 0.007 . 2 . 742 . . 44 ILE HG12 . 19195 1 453 . 1 1 44 44 ILE HG13 H 1 0.632 0.008 . 2 . 743 . . 44 ILE HG13 . 19195 1 454 . 1 1 44 44 ILE HG21 H 1 0.669 0.007 . 1 . 744 . . 44 ILE HG21 . 19195 1 455 . 1 1 44 44 ILE HG22 H 1 0.669 0.007 . 1 . 744 . . 44 ILE HG22 . 19195 1 456 . 1 1 44 44 ILE HG23 H 1 0.669 0.007 . 1 . 744 . . 44 ILE HG23 . 19195 1 457 . 1 1 44 44 ILE HD11 H 1 0.628 0.005 . 1 . 747 . . 44 ILE HD11 . 19195 1 458 . 1 1 44 44 ILE HD12 H 1 0.628 0.005 . 1 . 747 . . 44 ILE HD12 . 19195 1 459 . 1 1 44 44 ILE HD13 H 1 0.628 0.005 . 1 . 747 . . 44 ILE HD13 . 19195 1 460 . 1 1 44 44 ILE C C 13 174.200 . . 1 . 175 . A 44 ILE C . 19195 1 461 . 1 1 44 44 ILE CA C 13 58.969 0.049 . 1 . 171 . A 44 ILE CA . 19195 1 462 . 1 1 44 44 ILE CB C 13 41.218 0.072 . 1 . 172 . A 44 ILE CB . 19195 1 463 . 1 1 44 44 ILE CG1 C 13 25.766 0.029 . 1 . 741 . A 44 ILE CG1 . 19195 1 464 . 1 1 44 44 ILE CG2 C 13 18.053 0.064 . 1 . 745 . A 44 ILE CG2 . 19195 1 465 . 1 1 44 44 ILE CD1 C 13 14.251 0.068 . 1 . 746 . A 44 ILE CD1 . 19195 1 466 . 1 1 44 44 ILE N N 15 112.479 0.014 . 1 . 169 . A 44 ILE N . 19195 1 467 . 1 1 45 45 ASP H H 1 8.424 0.003 . 1 . 173 . A 45 ASP H . 19195 1 468 . 1 1 45 45 ASP HA H 1 4.513 0.0 . 1 . 818 . A 45 ASP HA . 19195 1 469 . 1 1 45 45 ASP HB2 H 1 2.472 0.001 . 2 . 820 . . 45 ASP HB2 . 19195 1 470 . 1 1 45 45 ASP HB3 H 1 2.630 0.001 . 2 . 819 . . 45 ASP HB3 . 19195 1 471 . 1 1 45 45 ASP C C 13 176.000 . . 1 . 180 . A 45 ASP C . 19195 1 472 . 1 1 45 45 ASP CA C 13 54.284 . . 1 . 176 . A 45 ASP CA . 19195 1 473 . 1 1 45 45 ASP CB C 13 41.201 0.015 . 1 . 177 . A 45 ASP CB . 19195 1 474 . 1 1 45 45 ASP N N 15 123.389 0.015 . 1 . 174 . A 45 ASP N . 19195 1 475 . 1 1 46 46 ILE H H 1 7.972 0.002 . 1 . 178 . A 46 ILE H . 19195 1 476 . 1 1 46 46 ILE HA H 1 3.875 0.007 . 1 . 692 . A 46 ILE HA . 19195 1 477 . 1 1 46 46 ILE HB H 1 1.645 0.005 . 1 . 691 . A 46 ILE HB . 19195 1 478 . 1 1 46 46 ILE HG12 H 1 1.292 0.009 . 2 . 686 . . 46 ILE HG12 . 19195 1 479 . 1 1 46 46 ILE HG13 H 1 0.995 0.006 . 2 . 685 . . 46 ILE HG13 . 19195 1 480 . 1 1 46 46 ILE HG21 H 1 0.625 0.004 . 1 . 689 . . 46 ILE HG21 . 19195 1 481 . 1 1 46 46 ILE HG22 H 1 0.625 0.004 . 1 . 689 . . 46 ILE HG22 . 19195 1 482 . 1 1 46 46 ILE HG23 H 1 0.625 0.004 . 1 . 689 . . 46 ILE HG23 . 19195 1 483 . 1 1 46 46 ILE HD11 H 1 0.714 0.009 . 1 . 684 . . 46 ILE HD11 . 19195 1 484 . 1 1 46 46 ILE HD12 H 1 0.714 0.009 . 1 . 684 . . 46 ILE HD12 . 19195 1 485 . 1 1 46 46 ILE HD13 H 1 0.714 0.009 . 1 . 684 . . 46 ILE HD13 . 19195 1 486 . 1 1 46 46 ILE C C 13 175.500 . . 1 . 184 . A 46 ILE C . 19195 1 487 . 1 1 46 46 ILE CA C 13 61.644 0.023 . 1 . 181 . A 46 ILE CA . 19195 1 488 . 1 1 46 46 ILE CB C 13 38.912 0.013 . 1 . 690 . A 46 ILE CB . 19195 1 489 . 1 1 46 46 ILE CG1 C 13 27.495 0.045 . 1 . 687 . A 46 ILE CG1 . 19195 1 490 . 1 1 46 46 ILE CG2 C 13 17.488 0.041 . 1 . 688 . A 46 ILE CG2 . 19195 1 491 . 1 1 46 46 ILE CD1 C 13 13.425 0.045 . 1 . 683 . A 46 ILE CD1 . 19195 1 492 . 1 1 46 46 ILE N N 15 121.098 0.013 . 1 . 179 . A 46 ILE N . 19195 1 493 . 1 1 47 47 ASP H H 1 8.138 0.002 . 1 . 182 . A 47 ASP H . 19195 1 494 . 1 1 47 47 ASP HA H 1 4.530 0.002 . 1 . 825 . A 47 ASP HA . 19195 1 495 . 1 1 47 47 ASP HB2 H 1 2.557 0.0 . 2 . 822 . . 47 ASP HB2 . 19195 1 496 . 1 1 47 47 ASP HB3 H 1 2.472 0.0 . 2 . 821 . . 47 ASP HB3 . 19195 1 497 . 1 1 47 47 ASP C C 13 176.000 . . 1 . 189 . A 47 ASP C . 19195 1 498 . 1 1 47 47 ASP CA C 13 53.801 . . 1 . 185 . A 47 ASP CA . 19195 1 499 . 1 1 47 47 ASP CB C 13 41.216 . . 1 . 186 . A 47 ASP CB . 19195 1 500 . 1 1 47 47 ASP N N 15 123.479 0.007 . 1 . 183 . A 47 ASP N . 19195 1 501 . 1 1 48 48 PHE H H 1 8.174 0.003 . 1 . 187 . A 48 PHE H . 19195 1 502 . 1 1 48 48 PHE HA H 1 4.534 0.004 . 1 . 826 . A 48 PHE HA . 19195 1 503 . 1 1 48 48 PHE HB2 H 1 3.080 0.003 . 2 . 824 . . 48 PHE HB2 . 19195 1 504 . 1 1 48 48 PHE HB3 H 1 2.938 0.002 . 2 . 823 . . 48 PHE HB3 . 19195 1 505 . 1 1 48 48 PHE HD1 H 1 7.133 0.002 . 3 . 1091 . A 48 PHE HD1 . 19195 1 506 . 1 1 48 48 PHE HD2 H 1 7.133 0.002 . 3 . 1091 . A 48 PHE HD2 . 19195 1 507 . 1 1 48 48 PHE HE1 H 1 7.214 0.003 . 3 . 1372 . A 48 PHE HE1 . 19195 1 508 . 1 1 48 48 PHE HE2 H 1 7.214 0.003 . 3 . 1372 . A 48 PHE HE2 . 19195 1 509 . 1 1 48 48 PHE C C 13 176.400 . . 1 . 194 . A 48 PHE C . 19195 1 510 . 1 1 48 48 PHE CA C 13 58.067 0.057 . 1 . 190 . A 48 PHE CA . 19195 1 511 . 1 1 48 48 PHE CB C 13 39.188 0.015 . 1 . 191 . A 48 PHE CB . 19195 1 512 . 1 1 48 48 PHE N N 15 122.260 0.014 . 1 . 188 . A 48 PHE N . 19195 1 513 . 1 1 49 49 THR H H 1 8.251 0.004 . 1 . 192 . A 49 THR H . 19195 1 514 . 1 1 49 49 THR HA H 1 4.188 . . 1 . 1118 . A 49 THR HA . 19195 1 515 . 1 1 49 49 THR HB H 1 4.172 0.004 . 1 . 1119 . A 49 THR HB . 19195 1 516 . 1 1 49 49 THR HG21 H 1 1.088 0.001 . 1 . 1117 . . 49 THR HG21 . 19195 1 517 . 1 1 49 49 THR HG22 H 1 1.088 0.001 . 1 . 1117 . . 49 THR HG22 . 19195 1 518 . 1 1 49 49 THR HG23 H 1 1.088 0.001 . 1 . 1117 . . 49 THR HG23 . 19195 1 519 . 1 1 49 49 THR C C 13 175.500 . . 1 . 199 . A 49 THR C . 19195 1 520 . 1 1 49 49 THR CA C 13 62.578 0.066 . 1 . 195 . A 49 THR CA . 19195 1 521 . 1 1 49 49 THR CB C 13 69.866 0.036 . 1 . 196 . A 49 THR CB . 19195 1 522 . 1 1 49 49 THR CG2 C 13 21.407 0.036 . 1 . 1120 . A 49 THR CG2 . 19195 1 523 . 1 1 49 49 THR N N 15 115.040 0.008 . 1 . 193 . A 49 THR N . 19195 1 524 . 1 1 50 50 GLY H H 1 7.848 0.003 . 1 . 197 . A 50 GLY H . 19195 1 525 . 1 1 50 50 GLY HA2 H 1 3.767 0.006 . 2 . 828 . . 50 GLY HA2 . 19195 1 526 . 1 1 50 50 GLY HA3 H 1 3.930 0.001 . 2 . 827 . . 50 GLY HA3 . 19195 1 527 . 1 1 50 50 GLY CA C 13 45.502 0.043 . 1 . 200 . A 50 GLY CA . 19195 1 528 . 1 1 50 50 GLY N N 15 111.084 0.009 . 1 . 198 . A 50 GLY N . 19195 1 529 . 1 1 51 51 GLY H H 1 8.053 0.002 . 1 . 517 . A 51 GLY H . 19195 1 530 . 1 1 51 51 GLY HA3 H 1 3.911 0.002 . 1 . 829 . . 51 GLY HA3 . 19195 1 531 . 1 1 51 51 GLY CA C 13 45.027 0.059 . 1 . 610 . A 51 GLY CA . 19195 1 532 . 1 1 51 51 GLY N N 15 109.185 0.01 . 1 . 516 . A 51 GLY N . 19195 1 533 . 1 1 52 52 GLU H H 1 8.283 0.003 . 1 . 546 . A 52 GLU H . 19195 1 534 . 1 1 52 52 GLU HA H 1 4.180 0.001 . 1 . 830 . A 52 GLU HA . 19195 1 535 . 1 1 52 52 GLU HB2 H 1 1.853 0.004 . 2 . 1222 . . 52 GLU HB2 . 19195 1 536 . 1 1 52 52 GLU HB3 H 1 2.004 0.008 . 2 . 1223 . . 52 GLU HB3 . 19195 1 537 . 1 1 52 52 GLU HG2 H 1 2.212 0.003 . 2 . 1225 . . 52 GLU HG2 . 19195 1 538 . 1 1 52 52 GLU HG3 H 1 2.164 0.004 . 2 . 1224 . . 52 GLU HG3 . 19195 1 539 . 1 1 52 52 GLU C C 13 176.300 . . 1 . 203 . A 52 GLU C . 19195 1 540 . 1 1 52 52 GLU CA C 13 56.886 . . 1 . 204 . A 52 GLU CA . 19195 1 541 . 1 1 52 52 GLU CB C 13 30.180 0.019 . 1 . 205 . A 52 GLU CB . 19195 1 542 . 1 1 52 52 GLU CG C 13 36.157 0.002 . 1 . 1226 . A 52 GLU CG . 19195 1 543 . 1 1 52 52 GLU N N 15 121.293 0.011 . 1 . 547 . A 52 GLU N . 19195 1 544 . 1 1 53 53 ASP H H 1 8.653 0.003 . 1 . 201 . A 53 ASP H . 19195 1 545 . 1 1 53 53 ASP HA H 1 4.619 0.005 . 1 . 1136 . A 53 ASP HA . 19195 1 546 . 1 1 53 53 ASP HB2 H 1 2.382 0.01 . 2 . 832 . . 53 ASP HB2 . 19195 1 547 . 1 1 53 53 ASP HB3 H 1 2.759 0.005 . 2 . 831 . . 53 ASP HB3 . 19195 1 548 . 1 1 53 53 ASP C C 13 176.200 . . 1 . 210 . A 53 ASP C . 19195 1 549 . 1 1 53 53 ASP CA C 13 54.205 0.149 . 1 . 206 . A 53 ASP CA . 19195 1 550 . 1 1 53 53 ASP CB C 13 41.734 0.019 . 1 . 207 . A 53 ASP CB . 19195 1 551 . 1 1 53 53 ASP N N 15 123.950 0.012 . 1 . 202 . A 53 ASP N . 19195 1 552 . 1 1 54 54 ALA H H 1 8.274 0.003 . 1 . 208 . A 54 ALA H . 19195 1 553 . 1 1 54 54 ALA HA H 1 4.090 0.004 . 1 . 833 . A 54 ALA HA . 19195 1 554 . 1 1 54 54 ALA HB1 H 1 1.394 0.006 . 1 . 628 . . 54 ALA HB1 . 19195 1 555 . 1 1 54 54 ALA HB2 H 1 1.394 0.006 . 1 . 628 . . 54 ALA HB2 . 19195 1 556 . 1 1 54 54 ALA HB3 H 1 1.394 0.006 . 1 . 628 . . 54 ALA HB3 . 19195 1 557 . 1 1 54 54 ALA C C 13 180.530 . . 1 . 215 . A 54 ALA C . 19195 1 558 . 1 1 54 54 ALA CA C 13 55.025 0.034 . 1 . 211 . A 54 ALA CA . 19195 1 559 . 1 1 54 54 ALA CB C 13 18.681 0.027 . 1 . 212 . A 54 ALA CB . 19195 1 560 . 1 1 54 54 ALA N N 15 125.053 0.016 . 1 . 209 . A 54 ALA N . 19195 1 561 . 1 1 55 55 GLN H H 1 8.223 0.003 . 1 . 213 . A 55 GLN H . 19195 1 562 . 1 1 55 55 GLN HA H 1 4.059 0.003 . 1 . 834 . A 55 GLN HA . 19195 1 563 . 1 1 55 55 GLN HB2 H 1 2.226 0.004 . 2 . 839 . . 55 GLN HB2 . 19195 1 564 . 1 1 55 55 GLN HB3 H 1 2.079 0.019 . 2 . 837 . . 55 GLN HB3 . 19195 1 565 . 1 1 55 55 GLN HG3 H 1 2.368 0.002 . 1 . 838 . . 55 GLN HG3 . 19195 1 566 . 1 1 55 55 GLN C C 13 178.700 . . 1 . 219 . A 55 GLN C . 19195 1 567 . 1 1 55 55 GLN CA C 13 58.824 0.037 . 1 . 609 . A 55 GLN CA . 19195 1 568 . 1 1 55 55 GLN CB C 13 28.216 0.054 . 1 . 216 . A 55 GLN CB . 19195 1 569 . 1 1 55 55 GLN N N 15 119.004 0.005 . 1 . 214 . A 55 GLN N . 19195 1 570 . 1 1 56 56 TYR H H 1 8.210 0.003 . 1 . 217 . A 56 TYR H . 19195 1 571 . 1 1 56 56 TYR HA H 1 4.151 0.005 . 1 . 835 . A 56 TYR HA . 19195 1 572 . 1 1 56 56 TYR HB2 H 1 3.025 0.005 . 2 . 840 . . 56 TYR HB2 . 19195 1 573 . 1 1 56 56 TYR HB3 H 1 2.819 0.008 . 2 . 836 . . 56 TYR HB3 . 19195 1 574 . 1 1 56 56 TYR HD1 H 1 6.971 0.01 . 3 . 841 . A 56 TYR HD1 . 19195 1 575 . 1 1 56 56 TYR HD2 H 1 6.971 0.01 . 3 . 841 . A 56 TYR HD2 . 19195 1 576 . 1 1 56 56 TYR HE1 H 1 6.492 0.015 . 3 . 1235 . A 56 TYR HE1 . 19195 1 577 . 1 1 56 56 TYR HE2 H 1 6.492 0.015 . 3 . 1235 . A 56 TYR HE2 . 19195 1 578 . 1 1 56 56 TYR C C 13 176.600 . . 1 . 224 . A 56 TYR C . 19195 1 579 . 1 1 56 56 TYR CA C 13 60.802 0.032 . 1 . 220 . A 56 TYR CA . 19195 1 580 . 1 1 56 56 TYR CB C 13 37.560 0.033 . 1 . 221 . A 56 TYR CB . 19195 1 581 . 1 1 56 56 TYR CD1 C 13 133.571 0.025 . 3 . 1240 . A 56 TYR CD1 . 19195 1 582 . 1 1 56 56 TYR CD2 C 13 133.571 0.025 . 3 . 1240 . A 56 TYR CD2 . 19195 1 583 . 1 1 56 56 TYR CE1 C 13 118.495 0.044 . 3 . 1236 . A 56 TYR CE1 . 19195 1 584 . 1 1 56 56 TYR CE2 C 13 118.495 0.044 . 3 . 1236 . A 56 TYR CE2 . 19195 1 585 . 1 1 56 56 TYR N N 15 120.546 0.009 . 1 . 218 . A 56 TYR N . 19195 1 586 . 1 1 57 57 ASP H H 1 8.399 0.004 . 1 . 222 . A 57 ASP H . 19195 1 587 . 1 1 57 57 ASP HA H 1 3.835 0.005 . 1 . 1133 . A 57 ASP HA . 19195 1 588 . 1 1 57 57 ASP HB2 H 1 2.451 0.005 . 2 . 1135 . . 57 ASP HB2 . 19195 1 589 . 1 1 57 57 ASP HB3 H 1 2.593 0.003 . 2 . 1134 . . 57 ASP HB3 . 19195 1 590 . 1 1 57 57 ASP C C 13 178.100 . . 1 . 229 . A 57 ASP C . 19195 1 591 . 1 1 57 57 ASP CA C 13 58.013 0.023 . 1 . 225 . A 57 ASP CA . 19195 1 592 . 1 1 57 57 ASP CB C 13 40.070 0.016 . 1 . 226 . A 57 ASP CB . 19195 1 593 . 1 1 57 57 ASP N N 15 119.988 0.025 . 1 . 223 . A 57 ASP N . 19195 1 594 . 1 1 58 58 ALA H H 1 7.311 0.003 . 1 . 227 . A 58 ALA H . 19195 1 595 . 1 1 58 58 ALA HA H 1 4.055 0.001 . 1 . 842 . A 58 ALA HA . 19195 1 596 . 1 1 58 58 ALA HB1 H 1 1.417 0.003 . 1 . 626 . . 58 ALA HB1 . 19195 1 597 . 1 1 58 58 ALA HB2 H 1 1.417 0.003 . 1 . 626 . . 58 ALA HB2 . 19195 1 598 . 1 1 58 58 ALA HB3 H 1 1.417 0.003 . 1 . 626 . . 58 ALA HB3 . 19195 1 599 . 1 1 58 58 ALA C C 13 180.300 . . 1 . 234 . A 58 ALA C . 19195 1 600 . 1 1 58 58 ALA CA C 13 55.069 0.069 . 1 . 230 . A 58 ALA CA . 19195 1 601 . 1 1 58 58 ALA CB C 13 17.960 0.03 . 1 . 231 . A 58 ALA CB . 19195 1 602 . 1 1 58 58 ALA N N 15 120.051 0.013 . 1 . 228 . A 58 ALA N . 19195 1 603 . 1 1 59 59 ILE H H 1 7.491 0.004 . 1 . 232 . A 59 ILE H . 19195 1 604 . 1 1 59 59 ILE HA H 1 3.673 0.005 . 1 . 729 . A 59 ILE HA . 19195 1 605 . 1 1 59 59 ILE HB H 1 1.775 0.003 . 1 . 724 . A 59 ILE HB . 19195 1 606 . 1 1 59 59 ILE HG12 H 1 1.043 0.002 . 2 . 722 . . 59 ILE HG12 . 19195 1 607 . 1 1 59 59 ILE HG13 H 1 1.831 0.006 . 2 . 723 . . 59 ILE HG13 . 19195 1 608 . 1 1 59 59 ILE HG21 H 1 0.818 0.008 . 1 . 726 . . 59 ILE HG21 . 19195 1 609 . 1 1 59 59 ILE HG22 H 1 0.818 0.008 . 1 . 726 . . 59 ILE HG22 . 19195 1 610 . 1 1 59 59 ILE HG23 H 1 0.818 0.008 . 1 . 726 . . 59 ILE HG23 . 19195 1 611 . 1 1 59 59 ILE HD11 H 1 0.842 0.005 . 1 . 721 . . 59 ILE HD11 . 19195 1 612 . 1 1 59 59 ILE HD12 H 1 0.842 0.005 . 1 . 721 . . 59 ILE HD12 . 19195 1 613 . 1 1 59 59 ILE HD13 H 1 0.842 0.005 . 1 . 721 . . 59 ILE HD13 . 19195 1 614 . 1 1 59 59 ILE C C 13 177.900 . . 1 . 239 . A 59 ILE C . 19195 1 615 . 1 1 59 59 ILE CA C 13 65.433 0.037 . 1 . 235 . A 59 ILE CA . 19195 1 616 . 1 1 59 59 ILE CB C 13 38.891 0.02 . 1 . 236 . A 59 ILE CB . 19195 1 617 . 1 1 59 59 ILE CG1 C 13 28.501 0.017 . 1 . 728 . A 59 ILE CG1 . 19195 1 618 . 1 1 59 59 ILE CG2 C 13 17.328 0.065 . 1 . 725 . A 59 ILE CG2 . 19195 1 619 . 1 1 59 59 ILE CD1 C 13 14.170 0.04 . 1 . 727 . A 59 ILE CD1 . 19195 1 620 . 1 1 59 59 ILE N N 15 120.713 0.008 . 1 . 233 . A 59 ILE N . 19195 1 621 . 1 1 60 60 TYR H H 1 8.579 0.002 . 1 . 237 . A 60 TYR H . 19195 1 622 . 1 1 60 60 TYR HA H 1 3.616 0.006 . 1 . 843 . A 60 TYR HA . 19195 1 623 . 1 1 60 60 TYR HB2 H 1 2.465 0.005 . 2 . 846 . . 60 TYR HB2 . 19195 1 624 . 1 1 60 60 TYR HB3 H 1 2.531 0.004 . 2 . 845 . . 60 TYR HB3 . 19195 1 625 . 1 1 60 60 TYR HD1 H 1 6.985 0.007 . 3 . 847 . A 60 TYR HD1 . 19195 1 626 . 1 1 60 60 TYR HD2 H 1 6.985 0.007 . 3 . 847 . A 60 TYR HD2 . 19195 1 627 . 1 1 60 60 TYR HE1 H 1 6.543 0.021 . 3 . 1233 . A 60 TYR HE1 . 19195 1 628 . 1 1 60 60 TYR HE2 H 1 6.543 0.021 . 3 . 1233 . A 60 TYR HE2 . 19195 1 629 . 1 1 60 60 TYR C C 13 178.300 . . 1 . 243 . A 60 TYR C . 19195 1 630 . 1 1 60 60 TYR CA C 13 62.789 0.055 . 1 . 240 . A 60 TYR CA . 19195 1 631 . 1 1 60 60 TYR CB C 13 37.908 0.031 . 1 . 844 . A 60 TYR CB . 19195 1 632 . 1 1 60 60 TYR CD1 C 13 133.644 0.031 . 3 . 1239 . A 60 TYR CD1 . 19195 1 633 . 1 1 60 60 TYR CD2 C 13 133.644 0.031 . 3 . 1239 . A 60 TYR CD2 . 19195 1 634 . 1 1 60 60 TYR CE1 C 13 118.647 0.072 . 3 . 1234 . A 60 TYR CE1 . 19195 1 635 . 1 1 60 60 TYR CE2 C 13 118.647 0.072 . 3 . 1234 . A 60 TYR CE2 . 19195 1 636 . 1 1 60 60 TYR N N 15 120.054 0.005 . 1 . 238 . A 60 TYR N . 19195 1 637 . 1 1 61 61 ASN H H 1 8.423 0.004 . 1 . 241 . A 61 ASN H . 19195 1 638 . 1 1 61 61 ASN HA H 1 4.069 0.004 . 1 . 848 . A 61 ASN HA . 19195 1 639 . 1 1 61 61 ASN HB2 H 1 2.653 0.004 . 2 . 850 . . 61 ASN HB2 . 19195 1 640 . 1 1 61 61 ASN HB3 H 1 2.759 0.002 . 2 . 849 . . 61 ASN HB3 . 19195 1 641 . 1 1 61 61 ASN C C 13 177.400 . . 1 . 248 . A 61 ASN C . 19195 1 642 . 1 1 61 61 ASN CA C 13 56.137 0.069 . 1 . 244 . A 61 ASN CA . 19195 1 643 . 1 1 61 61 ASN CB C 13 37.892 0.052 . 1 . 245 . A 61 ASN CB . 19195 1 644 . 1 1 61 61 ASN N N 15 118.196 0.009 . 1 . 242 . A 61 ASN N . 19195 1 645 . 1 1 62 62 ASN H H 1 7.842 0.002 . 1 . 246 . A 62 ASN H . 19195 1 646 . 1 1 62 62 ASN HA H 1 4.386 0.001 . 1 . 853 . A 62 ASN HA . 19195 1 647 . 1 1 62 62 ASN HB2 H 1 2.911 0.008 . 2 . 852 . . 62 ASN HB2 . 19195 1 648 . 1 1 62 62 ASN HB3 H 1 2.799 0.006 . 2 . 851 . . 62 ASN HB3 . 19195 1 649 . 1 1 62 62 ASN CA C 13 55.792 0.057 . 1 . 249 . A 62 ASN CA . 19195 1 650 . 1 1 62 62 ASN CB C 13 38.785 0.025 . 1 . 250 . A 62 ASN CB . 19195 1 651 . 1 1 62 62 ASN N N 15 119.601 0.004 . 1 . 247 . A 62 ASN N . 19195 1 652 . 1 1 63 63 VAL H H 1 8.236 0.003 . 1 . 545 . A 63 VAL H . 19195 1 653 . 1 1 63 63 VAL HA H 1 3.578 0.008 . 1 . 662 . A 63 VAL HA . 19195 1 654 . 1 1 63 63 VAL HB H 1 1.529 0.004 . 1 . 661 . A 63 VAL HB . 19195 1 655 . 1 1 63 63 VAL HG11 H 1 0.469 0.003 . 2 . 664 . . 63 VAL HG11 . 19195 1 656 . 1 1 63 63 VAL HG12 H 1 0.469 0.003 . 2 . 664 . . 63 VAL HG12 . 19195 1 657 . 1 1 63 63 VAL HG13 H 1 0.469 0.003 . 2 . 664 . . 63 VAL HG13 . 19195 1 658 . 1 1 63 63 VAL HG21 H 1 0.695 0.009 . 2 . 663 . . 63 VAL HG21 . 19195 1 659 . 1 1 63 63 VAL HG22 H 1 0.695 0.009 . 2 . 663 . . 63 VAL HG22 . 19195 1 660 . 1 1 63 63 VAL HG23 H 1 0.695 0.009 . 2 . 663 . . 63 VAL HG23 . 19195 1 661 . 1 1 63 63 VAL CA C 13 65.435 0.044 . 1 . 608 . A 63 VAL CA . 19195 1 662 . 1 1 63 63 VAL CB C 13 31.940 0.024 . 1 . 660 . A 63 VAL CB . 19195 1 663 . 1 1 63 63 VAL CG1 C 13 22.499 0.037 . 2 . 665 . A 63 VAL CG1 . 19195 1 664 . 1 1 63 63 VAL CG2 C 13 23.856 0.067 . 2 . 666 . A 63 VAL CG2 . 19195 1 665 . 1 1 63 63 VAL N N 15 119.736 0.004 . 1 . 544 . A 63 VAL N . 19195 1 666 . 1 1 64 64 THR H H 1 7.489 0.002 . 1 . 606 . A 64 THR H . 19195 1 667 . 1 1 64 64 THR HA H 1 3.741 0.004 . 1 . 1089 . A 64 THR HA . 19195 1 668 . 1 1 64 64 THR HB H 1 3.944 0.005 . 1 . 1090 . A 64 THR HB . 19195 1 669 . 1 1 64 64 THR HG21 H 1 0.200 0.004 . 1 . 1088 . . 64 THR HG21 . 19195 1 670 . 1 1 64 64 THR HG22 H 1 0.200 0.004 . 1 . 1088 . . 64 THR HG22 . 19195 1 671 . 1 1 64 64 THR HG23 H 1 0.200 0.004 . 1 . 1088 . . 64 THR HG23 . 19195 1 672 . 1 1 64 64 THR C C 13 176.700 . . 1 . 253 . A 64 THR C . 19195 1 673 . 1 1 64 64 THR CA C 13 63.553 0.022 . 1 . 254 . A 64 THR CA . 19195 1 674 . 1 1 64 64 THR CB C 13 69.964 0.018 . 1 . 255 . A 64 THR CB . 19195 1 675 . 1 1 64 64 THR CG2 C 13 22.216 0.018 . 1 . 1121 . A 64 THR CG2 . 19195 1 676 . 1 1 64 64 THR N N 15 106.873 0.03 . 1 . 607 . A 64 THR N . 19195 1 677 . 1 1 65 65 LYS H H 1 7.486 0.002 . 1 . 251 . A 65 LYS H . 19195 1 678 . 1 1 65 65 LYS HA H 1 3.834 0.003 . 1 . 854 . A 65 LYS HA . 19195 1 679 . 1 1 65 65 LYS HB2 H 1 1.821 0.002 . 2 . 1273 . . 65 LYS HB2 . 19195 1 680 . 1 1 65 65 LYS HB3 H 1 1.861 0.003 . 2 . 1272 . . 65 LYS HB3 . 19195 1 681 . 1 1 65 65 LYS HG2 H 1 1.232 0.001 . 2 . 1276 . . 65 LYS HG2 . 19195 1 682 . 1 1 65 65 LYS HG3 H 1 1.231 0.003 . 2 . 1275 . . 65 LYS HG3 . 19195 1 683 . 1 1 65 65 LYS HD2 H 1 1.517 0.002 . 2 . 1279 . . 65 LYS HD2 . 19195 1 684 . 1 1 65 65 LYS HD3 H 1 1.625 0.003 . 2 . 1278 . . 65 LYS HD3 . 19195 1 685 . 1 1 65 65 LYS HE3 H 1 2.920 0.001 . 1 . 1280 . . 65 LYS HE3 . 19195 1 686 . 1 1 65 65 LYS C C 13 176.900 . . 1 . 258 . A 65 LYS C . 19195 1 687 . 1 1 65 65 LYS CA C 13 57.080 0.045 . 1 . 605 . A 65 LYS CA . 19195 1 688 . 1 1 65 65 LYS CB C 13 30.114 0.019 . 1 . 256 . A 65 LYS CB . 19195 1 689 . 1 1 65 65 LYS CG C 13 24.694 0.001 . 1 . 1274 . A 65 LYS CG . 19195 1 690 . 1 1 65 65 LYS CD C 13 29.059 0.003 . 1 . 1277 . A 65 LYS CD . 19195 1 691 . 1 1 65 65 LYS CE C 13 42.269 0.026 . 1 . 1281 . A 65 LYS CE . 19195 1 692 . 1 1 65 65 LYS N N 15 117.048 0.013 . 1 . 252 . A 65 LYS N . 19195 1 693 . 1 1 66 66 GLY H H 1 7.916 0.002 . 1 . 257 . A 66 GLY H . 19195 1 694 . 1 1 66 66 GLY HA2 H 1 3.555 0.001 . 2 . 856 . . 66 GLY HA2 . 19195 1 695 . 1 1 66 66 GLY HA3 H 1 4.164 0.0 . 2 . 855 . . 66 GLY HA3 . 19195 1 696 . 1 1 66 66 GLY C C 13 175.300 . . 1 . 262 . A 66 GLY C . 19195 1 697 . 1 1 66 66 GLY CA C 13 45.113 0.049 . 1 . 259 . A 66 GLY CA . 19195 1 698 . 1 1 66 66 GLY N N 15 105.864 0.006 . 1 . 532 . A 66 GLY N . 19195 1 699 . 1 1 67 67 GLU H H 1 7.497 0.002 . 1 . 260 . A 67 GLU H . 19195 1 700 . 1 1 67 67 GLU HA H 1 4.199 0.006 . 1 . 857 . A 67 GLU HA . 19195 1 701 . 1 1 67 67 GLU HB2 H 1 2.060 0.003 . 2 . 1330 . . 67 GLU HB2 . 19195 1 702 . 1 1 67 67 GLU HB3 H 1 2.060 0.003 . 2 . 1331 . . 67 GLU HB3 . 19195 1 703 . 1 1 67 67 GLU HG2 H 1 2.181 0.001 . 2 . 1334 . . 67 GLU HG2 . 19195 1 704 . 1 1 67 67 GLU HG3 H 1 2.399 0.002 . 2 . 1332 . . 67 GLU HG3 . 19195 1 705 . 1 1 67 67 GLU C C 13 175.900 . . 1 . 267 . A 67 GLU C . 19195 1 706 . 1 1 67 67 GLU CA C 13 56.148 0.056 . 1 . 263 . A 67 GLU CA . 19195 1 707 . 1 1 67 67 GLU CB C 13 30.096 0.024 . 1 . 264 . A 67 GLU CB . 19195 1 708 . 1 1 67 67 GLU CG C 13 36.802 0.01 . 1 . 1333 . A 67 GLU CG . 19195 1 709 . 1 1 67 67 GLU N N 15 120.432 0.01 . 1 . 261 . A 67 GLU N . 19195 1 710 . 1 1 68 68 ASN H H 1 8.575 0.002 . 1 . 265 . A 68 ASN H . 19195 1 711 . 1 1 68 68 ASN HA H 1 4.684 0.01 . 1 . 860 . A 68 ASN HA . 19195 1 712 . 1 1 68 68 ASN HB2 H 1 2.669 0.003 . 2 . 859 . . 68 ASN HB2 . 19195 1 713 . 1 1 68 68 ASN HB3 H 1 2.862 0.002 . 2 . 858 . . 68 ASN HB3 . 19195 1 714 . 1 1 68 68 ASN C C 13 174.600 . . 1 . 272 . A 68 ASN C . 19195 1 715 . 1 1 68 68 ASN CA C 13 53.020 0.145 . 1 . 268 . A 68 ASN CA . 19195 1 716 . 1 1 68 68 ASN CB C 13 37.355 0.057 . 1 . 269 . A 68 ASN CB . 19195 1 717 . 1 1 68 68 ASN N N 15 119.053 0.009 . 1 . 266 . A 68 ASN N . 19195 1 718 . 1 1 69 69 GLY H H 1 7.195 0.002 . 1 . 270 . A 69 GLY H . 19195 1 719 . 1 1 69 69 GLY HA3 H 1 4.002 0.005 . 1 . 861 . . 69 GLY HA3 . 19195 1 720 . 1 1 69 69 GLY C C 13 171.800 . . 1 . 276 . A 69 GLY C . 19195 1 721 . 1 1 69 69 GLY CA C 13 43.903 0.063 . 1 . 273 . A 69 GLY CA . 19195 1 722 . 1 1 69 69 GLY N N 15 110.097 0.008 . 1 . 271 . A 69 GLY N . 19195 1 723 . 1 1 70 70 VAL H H 1 9.166 0.01 . 1 . 274 . A 70 VAL H . 19195 1 724 . 1 1 70 70 VAL HA H 1 3.542 0.006 . 1 . 638 . A 70 VAL HA . 19195 1 725 . 1 1 70 70 VAL HB H 1 2.098 0.004 . 1 . 639 . A 70 VAL HB . 19195 1 726 . 1 1 70 70 VAL HG11 H 1 -0.124 0.002 . 2 . 641 . . 70 VAL HG11 . 19195 1 727 . 1 1 70 70 VAL HG12 H 1 -0.124 0.002 . 2 . 641 . . 70 VAL HG12 . 19195 1 728 . 1 1 70 70 VAL HG13 H 1 -0.124 0.002 . 2 . 641 . . 70 VAL HG13 . 19195 1 729 . 1 1 70 70 VAL HG21 H 1 0.683 0.004 . 2 . 640 . . 70 VAL HG21 . 19195 1 730 . 1 1 70 70 VAL HG22 H 1 0.683 0.004 . 2 . 640 . . 70 VAL HG22 . 19195 1 731 . 1 1 70 70 VAL HG23 H 1 0.683 0.004 . 2 . 640 . . 70 VAL HG23 . 19195 1 732 . 1 1 70 70 VAL C C 13 175.200 . . 1 . 281 . A 70 VAL C . 19195 1 733 . 1 1 70 70 VAL CA C 13 62.807 0.052 . 1 . 277 . A 70 VAL CA . 19195 1 734 . 1 1 70 70 VAL CB C 13 32.625 0.013 . 1 . 278 . A 70 VAL CB . 19195 1 735 . 1 1 70 70 VAL CG1 C 13 20.323 0.038 . 2 . 642 . A 70 VAL CG1 . 19195 1 736 . 1 1 70 70 VAL CG2 C 13 21.467 0.043 . 2 . 643 . A 70 VAL CG2 . 19195 1 737 . 1 1 70 70 VAL N N 15 121.816 0.006 . 1 . 275 . A 70 VAL N . 19195 1 738 . 1 1 71 71 SER H H 1 8.748 0.003 . 1 . 279 . A 71 SER H . 19195 1 739 . 1 1 71 71 SER HA H 1 4.719 0.001 . 1 . 862 . A 71 SER HA . 19195 1 740 . 1 1 71 71 SER HB2 H 1 4.004 0.004 . 2 . 1180 . . 71 SER HB2 . 19195 1 741 . 1 1 71 71 SER HB3 H 1 4.308 0.003 . 2 . 1179 . . 71 SER HB3 . 19195 1 742 . 1 1 71 71 SER C C 13 174.700 . . 1 . 285 . A 71 SER C . 19195 1 743 . 1 1 71 71 SER CA C 13 56.645 0.082 . 1 . 282 . A 71 SER CA . 19195 1 744 . 1 1 71 71 SER CB C 13 65.072 0.068 . 1 . 1178 . A 71 SER CB . 19195 1 745 . 1 1 71 71 SER N N 15 124.469 0.012 . 1 . 280 . A 71 SER N . 19195 1 746 . 1 1 72 72 PHE H H 1 9.167 0.002 . 1 . 283 . A 72 PHE H . 19195 1 747 . 1 1 72 72 PHE HA H 1 3.637 0.006 . 1 . 865 . A 72 PHE HA . 19195 1 748 . 1 1 72 72 PHE HB2 H 1 2.146 0.005 . 2 . 864 . . 72 PHE HB2 . 19195 1 749 . 1 1 72 72 PHE HB3 H 1 2.507 0.002 . 2 . 863 . . 72 PHE HB3 . 19195 1 750 . 1 1 72 72 PHE HD1 H 1 6.531 0.004 . 3 . 866 . A 72 PHE HD1 . 19195 1 751 . 1 1 72 72 PHE HD2 H 1 6.531 0.004 . 3 . 866 . A 72 PHE HD2 . 19195 1 752 . 1 1 72 72 PHE HE1 H 1 7.082 0.005 . 3 . 1265 . A 72 PHE HE1 . 19195 1 753 . 1 1 72 72 PHE HE2 H 1 7.082 0.005 . 3 . 1265 . A 72 PHE HE2 . 19195 1 754 . 1 1 72 72 PHE HZ H 1 6.478 0.001 . 1 . 1369 . A 72 PHE HZ . 19195 1 755 . 1 1 72 72 PHE C C 13 176.800 . . 1 . 289 . A 72 PHE C . 19195 1 756 . 1 1 72 72 PHE CA C 13 61.722 0.042 . 1 . 604 . A 72 PHE CA . 19195 1 757 . 1 1 72 72 PHE CB C 13 38.009 0.028 . 1 . 286 . A 72 PHE CB . 19195 1 758 . 1 1 72 72 PHE CD1 C 13 132.142 . . 3 . 1258 . A 72 PHE CD1 . 19195 1 759 . 1 1 72 72 PHE CD2 C 13 132.142 . . 3 . 1258 . A 72 PHE CD2 . 19195 1 760 . 1 1 72 72 PHE CE1 C 13 131.646 . . 3 . 1264 . A 72 PHE CE1 . 19195 1 761 . 1 1 72 72 PHE CE2 C 13 131.646 . . 3 . 1264 . A 72 PHE CE2 . 19195 1 762 . 1 1 72 72 PHE N N 15 123.011 0.008 . 1 . 284 . A 72 PHE N . 19195 1 763 . 1 1 73 73 ASP H H 1 8.256 0.004 . 1 . 287 . A 73 ASP H . 19195 1 764 . 1 1 73 73 ASP HA H 1 3.941 0.004 . 1 . 869 . A 73 ASP HA . 19195 1 765 . 1 1 73 73 ASP HB2 H 1 2.430 0.001 . 2 . 868 . . 73 ASP HB2 . 19195 1 766 . 1 1 73 73 ASP HB3 H 1 2.336 0.001 . 2 . 867 . . 73 ASP HB3 . 19195 1 767 . 1 1 73 73 ASP C C 13 178.900 . . 1 . 294 . A 73 ASP C . 19195 1 768 . 1 1 73 73 ASP CA C 13 57.564 0.025 . 1 . 290 . A 73 ASP CA . 19195 1 769 . 1 1 73 73 ASP CB C 13 40.400 . . 1 . 291 . A 73 ASP CB . 19195 1 770 . 1 1 73 73 ASP N N 15 116.787 0.009 . 1 . 288 . A 73 ASP N . 19195 1 771 . 1 1 74 74 ASN H H 1 7.566 0.003 . 1 . 292 . A 74 ASN H . 19195 1 772 . 1 1 74 74 ASN HA H 1 4.452 0.006 . 1 . 872 . A 74 ASN HA . 19195 1 773 . 1 1 74 74 ASN HB2 H 1 2.671 0.004 . 2 . 871 . . 74 ASN HB2 . 19195 1 774 . 1 1 74 74 ASN HB3 H 1 2.582 0.003 . 2 . 870 . . 74 ASN HB3 . 19195 1 775 . 1 1 74 74 ASN C C 13 177.600 . . 1 . 299 . A 74 ASN C . 19195 1 776 . 1 1 74 74 ASN CA C 13 55.282 0.074 . 1 . 295 . A 74 ASN CA . 19195 1 777 . 1 1 74 74 ASN CB C 13 37.071 0.035 . 1 . 296 . A 74 ASN CB . 19195 1 778 . 1 1 74 74 ASN N N 15 119.445 0.01 . 1 . 293 . A 74 ASN N . 19195 1 779 . 1 1 75 75 TYR H H 1 8.566 0.002 . 1 . 297 . A 75 TYR H . 19195 1 780 . 1 1 75 75 TYR HA H 1 3.835 0.003 . 1 . 873 . A 75 TYR HA . 19195 1 781 . 1 1 75 75 TYR HB2 H 1 3.043 0.006 . 2 . 875 . . 75 TYR HB2 . 19195 1 782 . 1 1 75 75 TYR HB3 H 1 3.337 0.007 . 2 . 874 . . 75 TYR HB3 . 19195 1 783 . 1 1 75 75 TYR HD1 H 1 6.877 0.013 . 3 . 876 . A 75 TYR HD1 . 19195 1 784 . 1 1 75 75 TYR HD2 H 1 6.877 0.013 . 3 . 876 . A 75 TYR HD2 . 19195 1 785 . 1 1 75 75 TYR HE1 H 1 7.224 0.006 . 3 . 1247 . A 75 TYR HE1 . 19195 1 786 . 1 1 75 75 TYR HE2 H 1 7.224 0.006 . 3 . 1247 . A 75 TYR HE2 . 19195 1 787 . 1 1 75 75 TYR C C 13 176.200 . . 1 . 304 . A 75 TYR C . 19195 1 788 . 1 1 75 75 TYR CA C 13 62.040 0.022 . 1 . 300 . A 75 TYR CA . 19195 1 789 . 1 1 75 75 TYR CB C 13 38.956 0.052 . 1 . 301 . A 75 TYR CB . 19195 1 790 . 1 1 75 75 TYR CD1 C 13 132.826 0.005 . 3 . 1246 . A 75 TYR CD1 . 19195 1 791 . 1 1 75 75 TYR CD2 C 13 132.826 0.005 . 3 . 1246 . A 75 TYR CD2 . 19195 1 792 . 1 1 75 75 TYR CE1 C 13 119.610 0.007 . 3 . 1248 . A 75 TYR CE1 . 19195 1 793 . 1 1 75 75 TYR CE2 C 13 119.610 0.007 . 3 . 1248 . A 75 TYR CE2 . 19195 1 794 . 1 1 75 75 TYR N N 15 125.730 0.01 . 1 . 298 . A 75 TYR N . 19195 1 795 . 1 1 76 76 VAL H H 1 8.183 0.001 . 1 . 302 . A 76 VAL H . 19195 1 796 . 1 1 76 76 VAL HA H 1 2.514 0.005 . 1 . 652 . A 76 VAL HA . 19195 1 797 . 1 1 76 76 VAL HB H 1 1.667 0.007 . 1 . 653 . A 76 VAL HB . 19195 1 798 . 1 1 76 76 VAL HG11 H 1 0.232 0.004 . 2 . 649 . . 76 VAL HG11 . 19195 1 799 . 1 1 76 76 VAL HG12 H 1 0.232 0.004 . 2 . 649 . . 76 VAL HG12 . 19195 1 800 . 1 1 76 76 VAL HG13 H 1 0.232 0.004 . 2 . 649 . . 76 VAL HG13 . 19195 1 801 . 1 1 76 76 VAL HG21 H 1 0.623 0.012 . 2 . 648 . . 76 VAL HG21 . 19195 1 802 . 1 1 76 76 VAL HG22 H 1 0.623 0.012 . 2 . 648 . . 76 VAL HG22 . 19195 1 803 . 1 1 76 76 VAL HG23 H 1 0.623 0.012 . 2 . 648 . . 76 VAL HG23 . 19195 1 804 . 1 1 76 76 VAL C C 13 177.100 . . 1 . 309 . A 76 VAL C . 19195 1 805 . 1 1 76 76 VAL CA C 13 66.698 0.05 . 1 . 305 . A 76 VAL CA . 19195 1 806 . 1 1 76 76 VAL CB C 13 31.477 0.025 . 1 . 306 . A 76 VAL CB . 19195 1 807 . 1 1 76 76 VAL CG1 C 13 23.924 0.056 . 2 . 650 . A 76 VAL CG1 . 19195 1 808 . 1 1 76 76 VAL CG2 C 13 21.394 0.049 . 2 . 651 . A 76 VAL CG2 . 19195 1 809 . 1 1 76 76 VAL N N 15 119.563 0.013 . 1 . 303 . A 76 VAL N . 19195 1 810 . 1 1 77 77 GLN H H 1 7.252 0.004 . 1 . 307 . A 77 GLN H . 19195 1 811 . 1 1 77 77 GLN HA H 1 3.666 0.003 . 1 . 879 . A 77 GLN HA . 19195 1 812 . 1 1 77 77 GLN HB3 H 1 2.002 0.001 . 1 . 877 . . 77 GLN HB3 . 19195 1 813 . 1 1 77 77 GLN HG3 H 1 2.310 0.001 . 1 . 878 . . 77 GLN HG3 . 19195 1 814 . 1 1 77 77 GLN C C 13 177.700 . . 1 . 314 . A 77 GLN C . 19195 1 815 . 1 1 77 77 GLN CA C 13 58.942 0.031 . 1 . 310 . A 77 GLN CA . 19195 1 816 . 1 1 77 77 GLN CB C 13 28.026 0.04 . 1 . 311 . A 77 GLN CB . 19195 1 817 . 1 1 77 77 GLN CG C 13 33.394 0.008 . 1 . 880 . A 77 GLN CG . 19195 1 818 . 1 1 77 77 GLN N N 15 116.604 0.011 . 1 . 308 . A 77 GLN N . 19195 1 819 . 1 1 78 78 TYR H H 1 7.546 0.002 . 1 . 312 . A 78 TYR H . 19195 1 820 . 1 1 78 78 TYR HA H 1 4.089 0.006 . 1 . 881 . A 78 TYR HA . 19195 1 821 . 1 1 78 78 TYR HB2 H 1 2.822 0.009 . 2 . 883 . . 78 TYR HB2 . 19195 1 822 . 1 1 78 78 TYR HB3 H 1 3.056 0.007 . 2 . 882 . . 78 TYR HB3 . 19195 1 823 . 1 1 78 78 TYR HD1 H 1 6.843 0.005 . 3 . 884 . A 78 TYR HD1 . 19195 1 824 . 1 1 78 78 TYR HD2 H 1 6.843 0.005 . 3 . 884 . A 78 TYR HD2 . 19195 1 825 . 1 1 78 78 TYR HE1 H 1 6.526 0.004 . 3 . 1252 . A 78 TYR HE1 . 19195 1 826 . 1 1 78 78 TYR HE2 H 1 6.526 0.004 . 3 . 1252 . A 78 TYR HE2 . 19195 1 827 . 1 1 78 78 TYR C C 13 177.300 . . 1 . 319 . A 78 TYR C . 19195 1 828 . 1 1 78 78 TYR CA C 13 61.104 0.031 . 1 . 315 . A 78 TYR CA . 19195 1 829 . 1 1 78 78 TYR CB C 13 38.676 0.026 . 1 . 316 . A 78 TYR CB . 19195 1 830 . 1 1 78 78 TYR CD1 C 13 133.406 0.021 . 3 . 1251 . A 78 TYR CD1 . 19195 1 831 . 1 1 78 78 TYR CD2 C 13 133.406 0.021 . 3 . 1251 . A 78 TYR CD2 . 19195 1 832 . 1 1 78 78 TYR CE1 C 13 118.071 0.026 . 3 . 1255 . A 78 TYR CE1 . 19195 1 833 . 1 1 78 78 TYR CE2 C 13 118.071 0.026 . 3 . 1255 . A 78 TYR CE2 . 19195 1 834 . 1 1 78 78 TYR N N 15 119.637 0.009 . 1 . 313 . A 78 TYR N . 19195 1 835 . 1 1 79 79 MET H H 1 8.167 0.002 . 1 . 317 . A 79 MET H . 19195 1 836 . 1 1 79 79 MET HA H 1 3.733 0.003 . 1 . 889 . A 79 MET HA . 19195 1 837 . 1 1 79 79 MET HB2 H 1 0.952 0.011 . 2 . 1168 . . 79 MET HB2 . 19195 1 838 . 1 1 79 79 MET HB3 H 1 1.114 0.004 . 2 . 1169 . . 79 MET HB3 . 19195 1 839 . 1 1 79 79 MET HG2 H 1 1.498 0.005 . 2 . 1172 . . 79 MET HG2 . 19195 1 840 . 1 1 79 79 MET HG3 H 1 1.682 0.005 . 2 . 1171 . . 79 MET HG3 . 19195 1 841 . 1 1 79 79 MET HE1 H 1 1.865 0.005 . 1 . 1365 . . 79 MET HE1 . 19195 1 842 . 1 1 79 79 MET HE2 H 1 1.865 0.005 . 1 . 1365 . . 79 MET HE2 . 19195 1 843 . 1 1 79 79 MET HE3 H 1 1.865 0.005 . 1 . 1365 . . 79 MET HE3 . 19195 1 844 . 1 1 79 79 MET C C 13 169.500 . . 1 . 323 . A 79 MET C . 19195 1 845 . 1 1 79 79 MET CA C 13 55.881 0.045 . 1 . 603 . A 79 MET CA . 19195 1 846 . 1 1 79 79 MET CB C 13 31.061 0.036 . 1 . 320 . A 79 MET CB . 19195 1 847 . 1 1 79 79 MET CG C 13 32.309 0.082 . 1 . 1170 . A 79 MET CG . 19195 1 848 . 1 1 79 79 MET CE C 13 17.843 0.035 . 1 . 1366 . A 79 MET CE . 19195 1 849 . 1 1 79 79 MET N N 15 117.108 0.013 . 1 . 318 . A 79 MET N . 19195 1 850 . 1 1 80 80 LYS H H 1 8.287 0.002 . 1 . 321 . A 80 LYS H . 19195 1 851 . 1 1 80 80 LYS HA H 1 3.958 0.005 . 1 . 888 . A 80 LYS HA . 19195 1 852 . 1 1 80 80 LYS HB3 H 1 1.759 0.006 . 1 . 895 . . 80 LYS HB3 . 19195 1 853 . 1 1 80 80 LYS HG3 H 1 1.383 0.003 . 1 . 1284 . . 80 LYS HG3 . 19195 1 854 . 1 1 80 80 LYS HD3 H 1 1.574 0.002 . 1 . 1286 . . 80 LYS HD3 . 19195 1 855 . 1 1 80 80 LYS HE3 H 1 2.869 0.001 . 1 . 1282 . . 80 LYS HE3 . 19195 1 856 . 1 1 80 80 LYS C C 13 178.100 . . 1 . 327 . A 80 LYS C . 19195 1 857 . 1 1 80 80 LYS CA C 13 58.844 0.014 . 1 . 602 . A 80 LYS CA . 19195 1 858 . 1 1 80 80 LYS CB C 13 32.027 0.021 . 1 . 324 . A 80 LYS CB . 19195 1 859 . 1 1 80 80 LYS CG C 13 24.644 0.042 . 1 . 1283 . A 80 LYS CG . 19195 1 860 . 1 1 80 80 LYS CD C 13 29.203 0.032 . 1 . 1285 . A 80 LYS CD . 19195 1 861 . 1 1 80 80 LYS CE C 13 41.844 0.012 . 1 . 1287 . A 80 LYS CE . 19195 1 862 . 1 1 80 80 LYS N N 15 120.568 0.077 . 1 . 322 . A 80 LYS N . 19195 1 863 . 1 1 81 81 GLU H H 1 7.466 0.004 . 1 . 325 . A 81 GLU H . 19195 1 864 . 1 1 81 81 GLU HA H 1 3.987 0.002 . 1 . 887 . A 81 GLU HA . 19195 1 865 . 1 1 81 81 GLU HB2 H 1 1.932 0.003 . 2 . 894 . . 81 GLU HB2 . 19195 1 866 . 1 1 81 81 GLU HB3 H 1 1.933 0.004 . 2 . 1335 . . 81 GLU HB3 . 19195 1 867 . 1 1 81 81 GLU HG2 H 1 2.349 0.005 . 2 . 1337 . . 81 GLU HG2 . 19195 1 868 . 1 1 81 81 GLU HG3 H 1 2.112 0.003 . 2 . 1336 . . 81 GLU HG3 . 19195 1 869 . 1 1 81 81 GLU C C 13 178.400 . . 1 . 332 . A 81 GLU C . 19195 1 870 . 1 1 81 81 GLU CA C 13 58.205 0.007 . 1 . 328 . A 81 GLU CA . 19195 1 871 . 1 1 81 81 GLU CB C 13 29.297 0.055 . 1 . 329 . A 81 GLU CB . 19195 1 872 . 1 1 81 81 GLU CG C 13 36.448 0.022 . 1 . 1338 . A 81 GLU CG . 19195 1 873 . 1 1 81 81 GLU N N 15 119.434 0.008 . 1 . 326 . A 81 GLU N . 19195 1 874 . 1 1 82 82 LYS H H 1 7.665 0.002 . 1 . 330 . A 82 LYS H . 19195 1 875 . 1 1 82 82 LYS HA H 1 3.944 0.002 . 1 . 886 . A 82 LYS HA . 19195 1 876 . 1 1 82 82 LYS HB2 H 1 1.532 0.009 . 2 . 893 . . 82 LYS HB2 . 19195 1 877 . 1 1 82 82 LYS HB3 H 1 1.572 0.012 . 2 . 892 . . 82 LYS HB3 . 19195 1 878 . 1 1 82 82 LYS HG2 H 1 1.066 0.002 . 2 . 1301 . . 82 LYS HG2 . 19195 1 879 . 1 1 82 82 LYS HG3 H 1 1.065 0.002 . 2 . 1300 . . 82 LYS HG3 . 19195 1 880 . 1 1 82 82 LYS HD2 H 1 1.394 0.004 . 2 . 1305 . . 82 LYS HD2 . 19195 1 881 . 1 1 82 82 LYS HD3 H 1 1.430 0.006 . 2 . 1303 . . 82 LYS HD3 . 19195 1 882 . 1 1 82 82 LYS HE2 H 1 2.654 0.001 . 2 . 1306 . . 82 LYS HE2 . 19195 1 883 . 1 1 82 82 LYS HE3 H 1 2.799 0.002 . 2 . 1304 . . 82 LYS HE3 . 19195 1 884 . 1 1 82 82 LYS CA C 13 56.567 0.03 . 1 . 333 . A 82 LYS CA . 19195 1 885 . 1 1 82 82 LYS CB C 13 31.055 0.034 . 1 . 334 . A 82 LYS CB . 19195 1 886 . 1 1 82 82 LYS CG C 13 23.265 0.012 . 1 . 1299 . A 82 LYS CG . 19195 1 887 . 1 1 82 82 LYS CD C 13 27.619 0.005 . 1 . 1302 . A 82 LYS CD . 19195 1 888 . 1 1 82 82 LYS CE C 13 41.910 0.028 . 1 . 1307 . A 82 LYS CE . 19195 1 889 . 1 1 82 82 LYS N N 15 119.075 0.006 . 1 . 331 . A 82 LYS N . 19195 1 890 . 1 1 83 83 ASN H H 1 7.873 0.002 . 1 . 538 . A 83 ASN H . 19195 1 891 . 1 1 83 83 ASN HA H 1 4.533 0.004 . 1 . 885 . A 83 ASN HA . 19195 1 892 . 1 1 83 83 ASN HB2 H 1 2.796 0.001 . 2 . 1447 . . 83 ASN HB2 . 19195 1 893 . 1 1 83 83 ASN HB3 H 1 2.731 0.005 . 2 . 1445 . . 83 ASN HB3 . 19195 1 894 . 1 1 83 83 ASN C C 13 177.400 . . 1 . 335 . A 83 ASN C . 19195 1 895 . 1 1 83 83 ASN CA C 13 54.286 0.048 . 1 . 601 . A 83 ASN CA . 19195 1 896 . 1 1 83 83 ASN CB C 13 39.094 0.008 . 1 . 1446 . A 83 ASN CB . 19195 1 897 . 1 1 83 83 ASN N N 15 118.984 0.009 . 1 . 537 . A 83 ASN N . 19195 1 898 . 1 1 84 84 ASP H H 1 7.934 0.003 . 1 . 540 . A 84 ASP H . 19195 1 899 . 1 1 84 84 ASP HA H 1 4.482 0.0 . 1 . 890 . A 84 ASP HA . 19195 1 900 . 1 1 84 84 ASP HB3 H 1 2.601 0.003 . 1 . 891 . . 84 ASP HB3 . 19195 1 901 . 1 1 84 84 ASP CA C 13 54.956 . . 1 . 600 . A 84 ASP CA . 19195 1 902 . 1 1 84 84 ASP CB C 13 40.994 0.031 . 1 . 1140 . A 84 ASP CB . 19195 1 903 . 1 1 84 84 ASP N N 15 121.016 0.017 . 1 . 539 . A 84 ASP N . 19195 1 904 . 1 1 85 85 GLU H H 1 7.866 0.004 . 1 . 542 . A 85 GLU H . 19195 1 905 . 1 1 85 85 GLU HA H 1 4.107 0.001 . 1 . 897 . A 85 GLU HA . 19195 1 906 . 1 1 85 85 GLU HB2 H 1 1.941 0.003 . 2 . 898 . . 85 GLU HB2 . 19195 1 907 . 1 1 85 85 GLU HB3 H 1 1.849 0.002 . 2 . 899 . . 85 GLU HB3 . 19195 1 908 . 1 1 85 85 GLU HG2 H 1 2.247 0.004 . 2 . 902 . . 85 GLU HG2 . 19195 1 909 . 1 1 85 85 GLU HG3 H 1 2.132 0.002 . 2 . 901 . . 85 GLU HG3 . 19195 1 910 . 1 1 85 85 GLU CA C 13 56.722 . . 1 . 599 . A 85 GLU CA . 19195 1 911 . 1 1 85 85 GLU CB C 13 30.231 0.031 . 1 . 896 . A 85 GLU CB . 19195 1 912 . 1 1 85 85 GLU CG C 13 35.998 0.013 . 1 . 900 . A 85 GLU CG . 19195 1 913 . 1 1 85 85 GLU N N 15 120.466 0.011 . 1 . 541 . A 85 GLU N . 19195 1 914 . 1 1 86 86 ASN H H 1 8.025 0.002 . 1 . 543 . A 86 ASN H . 19195 1 915 . 1 1 86 86 ASN HA H 1 4.752 0.012 . 1 . 904 . A 86 ASN HA . 19195 1 916 . 1 1 86 86 ASN HB2 H 1 2.440 0.002 . 2 . 1345 . . 86 ASN HB2 . 19195 1 917 . 1 1 86 86 ASN HB3 H 1 2.495 0.021 . 2 . 903 . . 86 ASN HB3 . 19195 1 918 . 1 1 86 86 ASN CA C 13 51.239 0.055 . 1 . 598 . A 86 ASN CA . 19195 1 919 . 1 1 86 86 ASN CB C 13 38.680 0.056 . 1 . 927 . A 86 ASN CB . 19195 1 920 . 1 1 86 86 ASN N N 15 120.117 0.012 . 1 . 337 . A 86 ASN N . 19195 1 921 . 1 1 87 87 PRO HA H 1 4.358 0.005 . 1 . 905 . A 87 PRO HA . 19195 1 922 . 1 1 87 87 PRO HB2 H 1 1.967 0.008 . 2 . 921 . . 87 PRO HB2 . 19195 1 923 . 1 1 87 87 PRO HB3 H 1 1.501 0.016 . 2 . 926 . . 87 PRO HB3 . 19195 1 924 . 1 1 87 87 PRO HG2 H 1 1.689 0.008 . 2 . 1344 . . 87 PRO HG2 . 19195 1 925 . 1 1 87 87 PRO HG3 H 1 1.669 0.008 . 2 . 1343 . . 87 PRO HG3 . 19195 1 926 . 1 1 87 87 PRO HD2 H 1 3.549 0.006 . 2 . 924 . . 87 PRO HD2 . 19195 1 927 . 1 1 87 87 PRO HD3 H 1 3.221 0.022 . 2 . 922 . . 87 PRO HD3 . 19195 1 928 . 1 1 87 87 PRO CA C 13 62.726 0.061 . 1 . 928 . A 87 PRO CA . 19195 1 929 . 1 1 87 87 PRO CB C 13 31.865 0.016 . 1 . 906 . A 87 PRO CB . 19195 1 930 . 1 1 87 87 PRO CG C 13 27.378 0.021 . 1 . 1342 . A 87 PRO CG . 19195 1 931 . 1 1 87 87 PRO CD C 13 50.178 0.05 . 1 . 923 . A 87 PRO CD . 19195 1 932 . 1 1 88 88 SER H H 1 8.127 0.003 . 1 . 526 . A 88 SER H . 19195 1 933 . 1 1 88 88 SER HB2 H 1 4.047 0.001 . 2 . 909 . . 88 SER HB2 . 19195 1 934 . 1 1 88 88 SER HB3 H 1 3.814 0.0 . 2 . 908 . . 88 SER HB3 . 19195 1 935 . 1 1 88 88 SER CA C 13 56.104 . . 1 . 597 . A 88 SER CA . 19195 1 936 . 1 1 88 88 SER CB C 13 63.529 0.013 . 1 . 907 . A 88 SER CB . 19195 1 937 . 1 1 88 88 SER N N 15 117.728 0.012 . 1 . 525 . A 88 SER N . 19195 1 938 . 1 1 89 89 PRO HA H 1 4.118 0.007 . 1 . 915 . A 89 PRO HA . 19195 1 939 . 1 1 89 89 PRO HB2 H 1 1.787 0.004 . 2 . 917 . . 89 PRO HB2 . 19195 1 940 . 1 1 89 89 PRO HB3 H 1 2.068 0.005 . 2 . 916 . . 89 PRO HB3 . 19195 1 941 . 1 1 89 89 PRO HG2 H 1 1.994 0.001 . 2 . 1347 . . 89 PRO HG2 . 19195 1 942 . 1 1 89 89 PRO HG3 H 1 1.790 0.003 . 2 . 1348 . . 89 PRO HG3 . 19195 1 943 . 1 1 89 89 PRO HD2 H 1 3.736 0.011 . 2 . 920 . . 89 PRO HD2 . 19195 1 944 . 1 1 89 89 PRO HD3 H 1 3.756 0.012 . 2 . 919 . . 89 PRO HD3 . 19195 1 945 . 1 1 89 89 PRO C C 13 178.100 . . 1 . 340 . A 89 PRO C . 19195 1 946 . 1 1 89 89 PRO CA C 13 65.267 0.046 . 1 . 341 . A 89 PRO CA . 19195 1 947 . 1 1 89 89 PRO CB C 13 31.768 0.012 . 1 . 342 . A 89 PRO CB . 19195 1 948 . 1 1 89 89 PRO CG C 13 27.877 0.011 . 1 . 1346 . A 89 PRO CG . 19195 1 949 . 1 1 89 89 PRO CD C 13 50.552 0.086 . 1 . 918 . A 89 PRO CD . 19195 1 950 . 1 1 90 90 GLU H H 1 8.457 0.003 . 1 . 338 . A 90 GLU H . 19195 1 951 . 1 1 90 90 GLU HA H 1 4.013 0.002 . 1 . 910 . A 90 GLU HA . 19195 1 952 . 1 1 90 90 GLU HB2 H 1 1.901 0.002 . 2 . 913 . . 90 GLU HB2 . 19195 1 953 . 1 1 90 90 GLU HB3 H 1 1.902 . . 2 . 914 . . 90 GLU HB3 . 19195 1 954 . 1 1 90 90 GLU HG2 H 1 2.193 . . 2 . 912 . . 90 GLU HG2 . 19195 1 955 . 1 1 90 90 GLU HG3 H 1 2.259 . . 2 . 911 . . 90 GLU HG3 . 19195 1 956 . 1 1 90 90 GLU C C 13 178.500 . . 1 . 347 . A 90 GLU C . 19195 1 957 . 1 1 90 90 GLU CA C 13 59.204 . . 1 . 343 . A 90 GLU CA . 19195 1 958 . 1 1 90 90 GLU CB C 13 29.188 . . 1 . 344 . A 90 GLU CB . 19195 1 959 . 1 1 90 90 GLU N N 15 118.598 0.01 . 1 . 339 . A 90 GLU N . 19195 1 960 . 1 1 91 91 GLN H H 1 7.823 0.002 . 1 . 345 . A 91 GLN H . 19195 1 961 . 1 1 91 91 GLN HA H 1 4.060 0.007 . 1 . 929 . A 91 GLN HA . 19195 1 962 . 1 1 91 91 GLN HB2 H 1 1.956 0.01 . 2 . 931 . . 91 GLN HB2 . 19195 1 963 . 1 1 91 91 GLN HB3 H 1 2.055 0.006 . 2 . 930 . . 91 GLN HB3 . 19195 1 964 . 1 1 91 91 GLN HG2 H 1 2.308 0.001 . 2 . 933 . . 91 GLN HG2 . 19195 1 965 . 1 1 91 91 GLN HG3 H 1 2.215 0.006 . 2 . 932 . . 91 GLN HG3 . 19195 1 966 . 1 1 91 91 GLN C C 13 178.200 . . 1 . 352 . A 91 GLN C . 19195 1 967 . 1 1 91 91 GLN CA C 13 57.928 0.047 . 1 . 348 . A 91 GLN CA . 19195 1 968 . 1 1 91 91 GLN CB C 13 28.938 . . 1 . 349 . A 91 GLN CB . 19195 1 969 . 1 1 91 91 GLN N N 15 120.629 0.008 . 1 . 346 . A 91 GLN N . 19195 1 970 . 1 1 92 92 LEU H H 1 7.962 0.002 . 1 . 350 . A 92 LEU H . 19195 1 971 . 1 1 92 92 LEU HA H 1 3.701 0.015 . 1 . 934 . A 92 LEU HA . 19195 1 972 . 1 1 92 92 LEU HB2 H 1 1.080 0.016 . 2 . 939 . . 92 LEU HB2 . 19195 1 973 . 1 1 92 92 LEU HB3 H 1 1.629 0.017 . 2 . 938 . . 92 LEU HB3 . 19195 1 974 . 1 1 92 92 LEU HG H 1 1.440 0.004 . 1 . 1081 . A 92 LEU HG . 19195 1 975 . 1 1 92 92 LEU HD11 H 1 0.623 0.007 . 2 . 1077 . . 92 LEU HD11 . 19195 1 976 . 1 1 92 92 LEU HD12 H 1 0.623 0.007 . 2 . 1077 . . 92 LEU HD12 . 19195 1 977 . 1 1 92 92 LEU HD13 H 1 0.623 0.007 . 2 . 1077 . . 92 LEU HD13 . 19195 1 978 . 1 1 92 92 LEU HD21 H 1 0.501 0.019 . 2 . 1076 . . 92 LEU HD21 . 19195 1 979 . 1 1 92 92 LEU HD22 H 1 0.501 0.019 . 2 . 1076 . . 92 LEU HD22 . 19195 1 980 . 1 1 92 92 LEU HD23 H 1 0.501 0.019 . 2 . 1076 . . 92 LEU HD23 . 19195 1 981 . 1 1 92 92 LEU C C 13 177.700 . . 1 . 357 . A 92 LEU C . 19195 1 982 . 1 1 92 92 LEU CA C 13 57.184 0.023 . 1 . 353 . A 92 LEU CA . 19195 1 983 . 1 1 92 92 LEU CB C 13 41.137 0.045 . 1 . 354 . A 92 LEU CB . 19195 1 984 . 1 1 92 92 LEU CG C 13 26.915 0.032 . 1 . 1080 . A 92 LEU CG . 19195 1 985 . 1 1 92 92 LEU CD1 C 13 25.592 0.097 . 2 . 1079 . A 92 LEU CD1 . 19195 1 986 . 1 1 92 92 LEU CD2 C 13 23.254 0.021 . 2 . 1078 . A 92 LEU CD2 . 19195 1 987 . 1 1 92 92 LEU N N 15 120.262 0.014 . 1 . 351 . A 92 LEU N . 19195 1 988 . 1 1 93 93 ASN H H 1 8.258 0.002 . 1 . 355 . A 93 ASN H . 19195 1 989 . 1 1 93 93 ASN HA H 1 4.401 0.006 . 1 . 935 . A 93 ASN HA . 19195 1 990 . 1 1 93 93 ASN HB2 H 1 2.841 0.023 . 2 . 937 . . 93 ASN HB2 . 19195 1 991 . 1 1 93 93 ASN HB3 H 1 2.805 0.001 . 2 . 936 . . 93 ASN HB3 . 19195 1 992 . 1 1 93 93 ASN C C 13 177.600 . . 1 . 362 . A 93 ASN C . 19195 1 993 . 1 1 93 93 ASN CA C 13 56.630 0.041 . 1 . 358 . A 93 ASN CA . 19195 1 994 . 1 1 93 93 ASN CB C 13 38.732 . . 1 . 359 . A 93 ASN CB . 19195 1 995 . 1 1 93 93 ASN N N 15 117.378 0.011 . 1 . 356 . A 93 ASN N . 19195 1 996 . 1 1 94 94 GLU H H 1 7.732 0.003 . 1 . 360 . A 94 GLU H . 19195 1 997 . 1 1 94 94 GLU HA H 1 4.032 0.003 . 1 . 944 . A 94 GLU HA . 19195 1 998 . 1 1 94 94 GLU HB2 H 1 2.029 0.001 . 1 . 940 . . 94 GLU HB2 . 19195 1 999 . 1 1 94 94 GLU HB3 H 1 2.029 0.001 . 1 . 941 . . 94 GLU HB3 . 19195 1 1000 . 1 1 94 94 GLU HG2 H 1 2.262 0.005 . 2 . 943 . . 94 GLU HG2 . 19195 1 1001 . 1 1 94 94 GLU HG3 H 1 2.183 0.003 . 2 . 942 . . 94 GLU HG3 . 19195 1 1002 . 1 1 94 94 GLU C C 13 178.800 . . 1 . 367 . A 94 GLU C . 19195 1 1003 . 1 1 94 94 GLU CA C 13 59.097 . . 1 . 363 . A 94 GLU CA . 19195 1 1004 . 1 1 94 94 GLU CB C 13 29.446 0.024 . 1 . 364 . A 94 GLU CB . 19195 1 1005 . 1 1 94 94 GLU CG C 13 36.003 0.024 . 1 . 945 . A 94 GLU CG . 19195 1 1006 . 1 1 94 94 GLU N N 15 120.196 0.01 . 1 . 361 . A 94 GLU N . 19195 1 1007 . 1 1 95 95 ILE H H 1 7.655 0.002 . 1 . 365 . A 95 ILE H . 19195 1 1008 . 1 1 95 95 ILE HA H 1 3.746 0.005 . 1 . 711 . A 95 ILE HA . 19195 1 1009 . 1 1 95 95 ILE HB H 1 1.592 0.004 . 1 . 703 . A 95 ILE HB . 19195 1 1010 . 1 1 95 95 ILE HG12 H 1 1.519 0.016 . 2 . 705 . . 95 ILE HG12 . 19195 1 1011 . 1 1 95 95 ILE HG13 H 1 0.974 0.003 . 2 . 706 . . 95 ILE HG13 . 19195 1 1012 . 1 1 95 95 ILE HG21 H 1 0.640 0.005 . 1 . 709 . . 95 ILE HG21 . 19195 1 1013 . 1 1 95 95 ILE HG22 H 1 0.640 0.005 . 1 . 709 . . 95 ILE HG22 . 19195 1 1014 . 1 1 95 95 ILE HG23 H 1 0.640 0.005 . 1 . 709 . . 95 ILE HG23 . 19195 1 1015 . 1 1 95 95 ILE HD11 H 1 0.657 0.003 . 1 . 707 . . 95 ILE HD11 . 19195 1 1016 . 1 1 95 95 ILE HD12 H 1 0.657 0.003 . 1 . 707 . . 95 ILE HD12 . 19195 1 1017 . 1 1 95 95 ILE HD13 H 1 0.657 0.003 . 1 . 707 . . 95 ILE HD13 . 19195 1 1018 . 1 1 95 95 ILE C C 13 178.500 . . 1 . 372 . A 95 ILE C . 19195 1 1019 . 1 1 95 95 ILE CA C 13 64.361 0.083 . 1 . 368 . A 95 ILE CA . 19195 1 1020 . 1 1 95 95 ILE CB C 13 38.351 0.029 . 1 . 369 . A 95 ILE CB . 19195 1 1021 . 1 1 95 95 ILE CG1 C 13 28.500 0.063 . 1 . 704 . A 95 ILE CG1 . 19195 1 1022 . 1 1 95 95 ILE CG2 C 13 17.333 0.05 . 1 . 710 . A 95 ILE CG2 . 19195 1 1023 . 1 1 95 95 ILE CD1 C 13 13.486 0.063 . 1 . 708 . A 95 ILE CD1 . 19195 1 1024 . 1 1 95 95 ILE N N 15 120.690 0.004 . 1 . 366 . A 95 ILE N . 19195 1 1025 . 1 1 96 96 PHE H H 1 8.372 0.003 . 1 . 370 . A 96 PHE H . 19195 1 1026 . 1 1 96 96 PHE HA H 1 4.208 0.006 . 1 . 948 . A 96 PHE HA . 19195 1 1027 . 1 1 96 96 PHE HB2 H 1 2.871 0.005 . 2 . 950 . . 96 PHE HB2 . 19195 1 1028 . 1 1 96 96 PHE HB3 H 1 2.658 0.012 . 2 . 949 . . 96 PHE HB3 . 19195 1 1029 . 1 1 96 96 PHE HD1 H 1 6.880 0.015 . 3 . 1375 . A 96 PHE HD1 . 19195 1 1030 . 1 1 96 96 PHE HD2 H 1 6.880 0.015 . 3 . 1375 . A 96 PHE HD2 . 19195 1 1031 . 1 1 96 96 PHE HE1 H 1 6.909 0.008 . 3 . 1420 . A 96 PHE HE1 . 19195 1 1032 . 1 1 96 96 PHE HE2 H 1 6.909 0.008 . 3 . 1420 . A 96 PHE HE2 . 19195 1 1033 . 1 1 96 96 PHE C C 13 177.500 . . 1 . 377 . A 96 PHE C . 19195 1 1034 . 1 1 96 96 PHE CA C 13 58.841 0.037 . 1 . 373 . A 96 PHE CA . 19195 1 1035 . 1 1 96 96 PHE CB C 13 37.592 0.079 . 1 . 374 . A 96 PHE CB . 19195 1 1036 . 1 1 96 96 PHE N N 15 119.593 0.018 . 1 . 371 . A 96 PHE N . 19195 1 1037 . 1 1 97 97 SER H H 1 8.066 0.002 . 1 . 375 . A 97 SER H . 19195 1 1038 . 1 1 97 97 SER HA H 1 4.131 0.003 . 1 . 951 . A 97 SER HA . 19195 1 1039 . 1 1 97 97 SER HB3 H 1 3.969 0.0 . 1 . 952 . . 97 SER HB3 . 19195 1 1040 . 1 1 97 97 SER C C 13 175.900 . . 1 . 382 . A 97 SER C . 19195 1 1041 . 1 1 97 97 SER CA C 13 61.348 0.012 . 1 . 378 . A 97 SER CA . 19195 1 1042 . 1 1 97 97 SER CB C 13 63.133 0.033 . 1 . 379 . A 97 SER CB . 19195 1 1043 . 1 1 97 97 SER N N 15 113.979 0.016 . 1 . 376 . A 97 SER N . 19195 1 1044 . 1 1 98 98 THR H H 1 7.558 0.002 . 1 . 380 . A 98 THR H . 19195 1 1045 . 1 1 98 98 THR HA H 1 4.218 0.006 . 1 . 955 . A 98 THR HA . 19195 1 1046 . 1 1 98 98 THR HB H 1 4.270 0.007 . 1 . 954 . A 98 THR HB . 19195 1 1047 . 1 1 98 98 THR HG21 H 1 1.182 0.005 . 1 . 953 . . 98 THR HG21 . 19195 1 1048 . 1 1 98 98 THR HG22 H 1 1.182 0.005 . 1 . 953 . . 98 THR HG22 . 19195 1 1049 . 1 1 98 98 THR HG23 H 1 1.182 0.005 . 1 . 953 . . 98 THR HG23 . 19195 1 1050 . 1 1 98 98 THR C C 13 176.000 . . 1 . 387 . A 98 THR C . 19195 1 1051 . 1 1 98 98 THR CA C 13 64.178 0.058 . 1 . 383 . A 98 THR CA . 19195 1 1052 . 1 1 98 98 THR CB C 13 69.359 0.059 . 1 . 384 . A 98 THR CB . 19195 1 1053 . 1 1 98 98 THR CG2 C 13 21.519 0.02 . 1 . 1122 . A 98 THR CG2 . 19195 1 1054 . 1 1 98 98 THR N N 15 114.590 0.011 . 1 . 381 . A 98 THR N . 19195 1 1055 . 1 1 99 99 ILE H H 1 7.710 0.002 . 1 . 385 . A 99 ILE H . 19195 1 1056 . 1 1 99 99 ILE HA H 1 4.022 0.005 . 1 . 730 . A 99 ILE HA . 19195 1 1057 . 1 1 99 99 ILE HB H 1 1.817 0.008 . 1 . 731 . A 99 ILE HB . 19195 1 1058 . 1 1 99 99 ILE HG12 H 1 1.400 0.006 . 2 . 732 . . 99 ILE HG12 . 19195 1 1059 . 1 1 99 99 ILE HG13 H 1 1.171 0.007 . 2 . 733 . . 99 ILE HG13 . 19195 1 1060 . 1 1 99 99 ILE HG21 H 1 0.815 0.006 . 1 . 734 . . 99 ILE HG21 . 19195 1 1061 . 1 1 99 99 ILE HG22 H 1 0.815 0.006 . 1 . 734 . . 99 ILE HG22 . 19195 1 1062 . 1 1 99 99 ILE HG23 H 1 0.815 0.006 . 1 . 734 . . 99 ILE HG23 . 19195 1 1063 . 1 1 99 99 ILE HD11 H 1 0.638 0.002 . 1 . 735 . . 99 ILE HD11 . 19195 1 1064 . 1 1 99 99 ILE HD12 H 1 0.638 0.002 . 1 . 735 . . 99 ILE HD12 . 19195 1 1065 . 1 1 99 99 ILE HD13 H 1 0.638 0.002 . 1 . 735 . . 99 ILE HD13 . 19195 1 1066 . 1 1 99 99 ILE C C 13 176.200 . . 1 . 392 . A 99 ILE C . 19195 1 1067 . 1 1 99 99 ILE CA C 13 62.832 0.059 . 1 . 388 . A 99 ILE CA . 19195 1 1068 . 1 1 99 99 ILE CB C 13 38.723 0.024 . 1 . 389 . A 99 ILE CB . 19195 1 1069 . 1 1 99 99 ILE CG1 C 13 27.451 0.029 . 1 . 737 . A 99 ILE CG1 . 19195 1 1070 . 1 1 99 99 ILE CG2 C 13 17.798 0.033 . 1 . 736 . A 99 ILE CG2 . 19195 1 1071 . 1 1 99 99 ILE CD1 C 13 14.099 0.071 . 1 . 738 . A 99 ILE CD1 . 19195 1 1072 . 1 1 99 99 ILE N N 15 119.971 0.01 . 1 . 386 . A 99 ILE N . 19195 1 1073 . 1 1 100 100 ALA H H 1 8.022 0.002 . 1 . 514 . A 100 ALA H . 19195 1 1074 . 1 1 100 100 ALA HA H 1 4.118 0.002 . 1 . 634 . A 100 ALA HA . 19195 1 1075 . 1 1 100 100 ALA HB1 H 1 1.108 0.004 . 1 . 630 . . 100 ALA HB1 . 19195 1 1076 . 1 1 100 100 ALA HB2 H 1 1.108 0.004 . 1 . 630 . . 100 ALA HB2 . 19195 1 1077 . 1 1 100 100 ALA HB3 H 1 1.108 0.004 . 1 . 630 . . 100 ALA HB3 . 19195 1 1078 . 1 1 100 100 ALA CA C 13 52.661 0.039 . 1 . 393 . A 100 ALA CA . 19195 1 1079 . 1 1 100 100 ALA CB C 13 18.923 0.034 . 1 . 394 . A 100 ALA CB . 19195 1 1080 . 1 1 100 100 ALA N N 15 124.270 0.014 . 1 . 515 . A 100 ALA N . 19195 1 1081 . 1 1 101 101 ALA H H 1 7.453 0.003 . 1 . 512 . A 101 ALA H . 19195 1 1082 . 1 1 101 101 ALA HA H 1 4.109 0.003 . 1 . 956 . A 101 ALA HA . 19195 1 1083 . 1 1 101 101 ALA HB1 H 1 1.323 0.003 . 1 . 625 . . 101 ALA HB1 . 19195 1 1084 . 1 1 101 101 ALA HB2 H 1 1.323 0.003 . 1 . 625 . . 101 ALA HB2 . 19195 1 1085 . 1 1 101 101 ALA HB3 H 1 1.323 0.003 . 1 . 625 . . 101 ALA HB3 . 19195 1 1086 . 1 1 101 101 ALA CA C 13 53.408 0.071 . 1 . 596 . A 101 ALA CA . 19195 1 1087 . 1 1 101 101 ALA CB C 13 18.232 0.036 . 1 . 621 . A 101 ALA CB . 19195 1 1088 . 1 1 101 101 ALA N N 15 121.274 0.015 . 1 . 513 . A 101 ALA N . 19195 1 1089 . 1 1 102 102 GLY H H 1 8.505 0.003 . 1 . 510 . A 102 GLY H . 19195 1 1090 . 1 1 102 102 GLY HA2 H 1 3.750 0.006 . 2 . 958 . . 102 GLY HA2 . 19195 1 1091 . 1 1 102 102 GLY HA3 H 1 4.015 0.002 . 2 . 957 . . 102 GLY HA3 . 19195 1 1092 . 1 1 102 102 GLY C C 13 174.400 . . 1 . 398 . A 102 GLY C . 19195 1 1093 . 1 1 102 102 GLY CA C 13 45.494 0.045 . 1 . 395 . A 102 GLY CA . 19195 1 1094 . 1 1 102 102 GLY N N 15 108.895 0.014 . 1 . 511 . A 102 GLY N . 19195 1 1095 . 1 1 103 103 LYS H H 1 7.840 0.003 . 1 . 396 . A 103 LYS H . 19195 1 1096 . 1 1 103 103 LYS HA H 1 4.492 0.003 . 1 . 959 . A 103 LYS HA . 19195 1 1097 . 1 1 103 103 LYS HB2 H 1 1.876 0.002 . 2 . 1289 . . 103 LYS HB2 . 19195 1 1098 . 1 1 103 103 LYS HB3 H 1 1.998 0.006 . 2 . 1288 . . 103 LYS HB3 . 19195 1 1099 . 1 1 103 103 LYS HG2 H 1 1.402 0.002 . 2 . 1292 . . 103 LYS HG2 . 19195 1 1100 . 1 1 103 103 LYS HG3 H 1 1.487 0.003 . 2 . 1291 . . 103 LYS HG3 . 19195 1 1101 . 1 1 103 103 LYS HD2 H 1 1.678 0.002 . 2 . 1296 . . 103 LYS HD2 . 19195 1 1102 . 1 1 103 103 LYS HD3 H 1 1.740 0.002 . 2 . 1294 . . 103 LYS HD3 . 19195 1 1103 . 1 1 103 103 LYS HE2 H 1 3.013 0.007 . 2 . 1298 . . 103 LYS HE2 . 19195 1 1104 . 1 1 103 103 LYS HE3 H 1 3.044 0.008 . 2 . 1295 . . 103 LYS HE3 . 19195 1 1105 . 1 1 103 103 LYS C C 13 176.400 . . 1 . 403 . A 103 LYS C . 19195 1 1106 . 1 1 103 103 LYS CA C 13 55.928 0.051 . 1 . 399 . A 103 LYS CA . 19195 1 1107 . 1 1 103 103 LYS CB C 13 33.927 0.031 . 1 . 400 . A 103 LYS CB . 19195 1 1108 . 1 1 103 103 LYS CG C 13 24.938 0.035 . 1 . 1290 . A 103 LYS CG . 19195 1 1109 . 1 1 103 103 LYS CD C 13 29.125 0.054 . 1 . 1293 . A 103 LYS CD . 19195 1 1110 . 1 1 103 103 LYS CE C 13 41.697 0.031 . 1 . 1297 . A 103 LYS CE . 19195 1 1111 . 1 1 103 103 LYS N N 15 120.273 0.01 . 1 . 397 . A 103 LYS N . 19195 1 1112 . 1 1 104 104 ASP H H 1 8.533 0.004 . 1 . 401 . A 104 ASP H . 19195 1 1113 . 1 1 104 104 ASP HA H 1 4.499 0.005 . 1 . 962 . A 104 ASP HA . 19195 1 1114 . 1 1 104 104 ASP HB2 H 1 2.649 0.002 . 2 . 961 . . 104 ASP HB2 . 19195 1 1115 . 1 1 104 104 ASP HB3 H 1 2.566 0.005 . 2 . 960 . . 104 ASP HB3 . 19195 1 1116 . 1 1 104 104 ASP C C 13 175.300 . . 1 . 408 . A 104 ASP C . 19195 1 1117 . 1 1 104 104 ASP CA C 13 54.989 0.058 . 1 . 404 . A 104 ASP CA . 19195 1 1118 . 1 1 104 104 ASP CB C 13 41.292 0.036 . 1 . 405 . A 104 ASP CB . 19195 1 1119 . 1 1 104 104 ASP N N 15 120.706 0.031 . 1 . 402 . A 104 ASP N . 19195 1 1120 . 1 1 105 105 SER H H 1 7.593 0.003 . 1 . 406 . A 105 SER H . 19195 1 1121 . 1 1 105 105 SER HA H 1 4.798 0.009 . 1 . 963 . A 105 SER HA . 19195 1 1122 . 1 1 105 105 SER HB3 H 1 3.585 0.008 . 1 . 964 . . 105 SER HB3 . 19195 1 1123 . 1 1 105 105 SER C C 13 174.400 . . 1 . 410 . A 105 SER C . 19195 1 1124 . 1 1 105 105 SER CA C 13 57.085 0.085 . 1 . 595 . A 105 SER CA . 19195 1 1125 . 1 1 105 105 SER CB C 13 64.825 0.04 . 1 . 409 . A 105 SER CB . 19195 1 1126 . 1 1 105 105 SER N N 15 111.957 0.008 . 1 . 407 . A 105 SER N . 19195 1 1127 . 1 1 106 106 ILE H H 1 8.603 0.004 . 1 . 748 . A 106 ILE H . 19195 1 1128 . 1 1 106 106 ILE HA H 1 4.881 0.012 . 1 . 965 . A 106 ILE HA . 19195 1 1129 . 1 1 106 106 ILE HB H 1 1.649 0.005 . 1 . 679 . A 106 ILE HB . 19195 1 1130 . 1 1 106 106 ILE HG12 H 1 1.481 0.007 . 2 . 678 . . 106 ILE HG12 . 19195 1 1131 . 1 1 106 106 ILE HG13 H 1 1.062 0.003 . 2 . 681 . . 106 ILE HG13 . 19195 1 1132 . 1 1 106 106 ILE HG21 H 1 0.769 0.005 . 1 . 674 . . 106 ILE HG21 . 19195 1 1133 . 1 1 106 106 ILE HG22 H 1 0.769 0.005 . 1 . 674 . . 106 ILE HG22 . 19195 1 1134 . 1 1 106 106 ILE HG23 H 1 0.769 0.005 . 1 . 674 . . 106 ILE HG23 . 19195 1 1135 . 1 1 106 106 ILE HD11 H 1 0.507 0.006 . 1 . 675 . . 106 ILE HD11 . 19195 1 1136 . 1 1 106 106 ILE HD12 H 1 0.507 0.006 . 1 . 675 . . 106 ILE HD12 . 19195 1 1137 . 1 1 106 106 ILE HD13 H 1 0.507 0.006 . 1 . 675 . . 106 ILE HD13 . 19195 1 1138 . 1 1 106 106 ILE CA C 13 58.828 0.019 . 1 . 1341 . A 106 ILE CA . 19195 1 1139 . 1 1 106 106 ILE CB C 13 41.368 0.086 . 1 . 682 . A 106 ILE CB . 19195 1 1140 . 1 1 106 106 ILE CG1 C 13 27.681 0.06 . 1 . 680 . A 106 ILE CG1 . 19195 1 1141 . 1 1 106 106 ILE CG2 C 13 18.050 0.049 . 1 . 676 . A 106 ILE CG2 . 19195 1 1142 . 1 1 106 106 ILE CD1 C 13 14.007 0.047 . 1 . 677 . A 106 ILE CD1 . 19195 1 1143 . 1 1 106 106 ILE N N 15 117.998 0.031 . 1 . 749 . A 106 ILE N . 19195 1 1144 . 1 1 107 107 THR HA H 1 4.861 0.011 . 1 . 1130 . A 107 THR HA . 19195 1 1145 . 1 1 107 107 THR HB H 1 4.714 0.01 . 1 . 1132 . A 107 THR HB . 19195 1 1146 . 1 1 107 107 THR HG21 H 1 1.118 0.002 . 1 . 1128 . . 107 THR HG21 . 19195 1 1147 . 1 1 107 107 THR HG22 H 1 1.118 0.002 . 1 . 1128 . . 107 THR HG22 . 19195 1 1148 . 1 1 107 107 THR HG23 H 1 1.118 0.002 . 1 . 1128 . . 107 THR HG23 . 19195 1 1149 . 1 1 107 107 THR CA C 13 59.889 0.009 . 1 . 1129 . A 107 THR CA . 19195 1 1150 . 1 1 107 107 THR CB C 13 72.297 0.028 . 1 . 1131 . A 107 THR CB . 19195 1 1151 . 1 1 107 107 THR CG2 C 13 21.685 0.057 . 1 . 1127 . A 107 THR CG2 . 19195 1 1152 . 1 1 108 108 GLU H H 1 9.466 0.001 . 1 . 594 . A 108 GLU H . 19195 1 1153 . 1 1 108 108 GLU HA H 1 3.977 0.002 . 1 . 1326 . A 108 GLU HA . 19195 1 1154 . 1 1 108 108 GLU HB2 H 1 2.054 0.005 . 2 . 1324 . . 108 GLU HB2 . 19195 1 1155 . 1 1 108 108 GLU HB3 H 1 2.144 0.014 . 2 . 1325 . . 108 GLU HB3 . 19195 1 1156 . 1 1 108 108 GLU HG2 H 1 2.201 0.012 . 2 . 1329 . . 108 GLU HG2 . 19195 1 1157 . 1 1 108 108 GLU HG3 H 1 2.226 0.003 . 2 . 1328 . . 108 GLU HG3 . 19195 1 1158 . 1 1 108 108 GLU CA C 13 60.890 0.078 . 1 . 592 . A 108 GLU CA . 19195 1 1159 . 1 1 108 108 GLU CB C 13 29.526 0.021 . 1 . 1322 . A 108 GLU CB . 19195 1 1160 . 1 1 108 108 GLU CG C 13 37.316 . . 1 . 1327 . A 108 GLU CG . 19195 1 1161 . 1 1 108 108 GLU N N 15 122.308 0.038 . 1 . 593 . A 108 GLU N . 19195 1 1162 . 1 1 109 109 THR H H 1 8.056 0.002 . 1 . 411 . A 109 THR H . 19195 1 1163 . 1 1 109 109 THR HA H 1 3.996 0.004 . 1 . 966 . A 109 THR HA . 19195 1 1164 . 1 1 109 109 THR HB H 1 4.000 0.004 . 1 . 1124 . A 109 THR HB . 19195 1 1165 . 1 1 109 109 THR HG21 H 1 1.186 0.004 . 1 . 970 . . 109 THR HG21 . 19195 1 1166 . 1 1 109 109 THR HG22 H 1 1.186 0.004 . 1 . 970 . . 109 THR HG22 . 19195 1 1167 . 1 1 109 109 THR HG23 H 1 1.186 0.004 . 1 . 970 . . 109 THR HG23 . 19195 1 1168 . 1 1 109 109 THR CA C 13 66.447 0.036 . 1 . 591 . A 109 THR CA . 19195 1 1169 . 1 1 109 109 THR CB C 13 68.440 0.028 . 1 . 1123 . A 109 THR CB . 19195 1 1170 . 1 1 109 109 THR CG2 C 13 21.941 0.016 . 1 . 1125 . A 109 THR CG2 . 19195 1 1171 . 1 1 109 109 THR N N 15 115.054 0.014 . 1 . 412 . A 109 THR N . 19195 1 1172 . 1 1 110 110 ASP H H 1 7.724 0.003 . 1 . 557 . A 110 ASP H . 19195 1 1173 . 1 1 110 110 ASP HA H 1 4.239 0.002 . 1 . 969 . A 110 ASP HA . 19195 1 1174 . 1 1 110 110 ASP HB2 H 1 3.057 0.022 . 2 . 968 . . 110 ASP HB2 . 19195 1 1175 . 1 1 110 110 ASP HB3 H 1 2.449 0.0 . 2 . 967 . . 110 ASP HB3 . 19195 1 1176 . 1 1 110 110 ASP CA C 13 57.660 . . 1 . 590 . A 110 ASP CA . 19195 1 1177 . 1 1 110 110 ASP CB C 13 41.009 . . 1 . 413 . A 110 ASP CB . 19195 1 1178 . 1 1 110 110 ASP N N 15 122.782 0.022 . 1 . 558 . A 110 ASP N . 19195 1 1179 . 1 1 111 111 MET H H 1 7.838 0.002 . 1 . 563 . A 111 MET H . 19195 1 1180 . 1 1 111 111 MET HA H 1 3.697 0.012 . 1 . 971 . A 111 MET HA . 19195 1 1181 . 1 1 111 111 MET HB2 H 1 2.219 0.042 . 2 . 972 . . 111 MET HB2 . 19195 1 1182 . 1 1 111 111 MET HB3 H 1 1.930 0.032 . 2 . 983 . . 111 MET HB3 . 19195 1 1183 . 1 1 111 111 MET HG2 H 1 2.396 0.02 . 2 . 981 . . 111 MET HG2 . 19195 1 1184 . 1 1 111 111 MET HG3 H 1 2.708 0.011 . 2 . 980 . . 111 MET HG3 . 19195 1 1185 . 1 1 111 111 MET HE1 H 1 1.701 0.003 . 1 . 1362 . . 111 MET HE1 . 19195 1 1186 . 1 1 111 111 MET HE2 H 1 1.701 0.003 . 1 . 1362 . . 111 MET HE2 . 19195 1 1187 . 1 1 111 111 MET HE3 H 1 1.701 0.003 . 1 . 1362 . . 111 MET HE3 . 19195 1 1188 . 1 1 111 111 MET CA C 13 60.349 0.07 . 1 . 589 . A 111 MET CA . 19195 1 1189 . 1 1 111 111 MET CB C 13 34.330 0.062 . 1 . 982 . A 111 MET CB . 19195 1 1190 . 1 1 111 111 MET CG C 13 33.886 0.075 . 1 . 979 . A 111 MET CG . 19195 1 1191 . 1 1 111 111 MET CE C 13 18.244 0.05 . 1 . 1361 . A 111 MET CE . 19195 1 1192 . 1 1 111 111 MET N N 15 118.815 0.018 . 1 . 564 . A 111 MET N . 19195 1 1193 . 1 1 112 112 GLN H H 1 8.306 0.003 . 1 . 561 . A 112 GLN H . 19195 1 1194 . 1 1 112 112 GLN HA H 1 4.003 0.004 . 1 . 973 . A 112 GLN HA . 19195 1 1195 . 1 1 112 112 GLN HB2 H 1 2.199 . . 2 . 975 . . 112 GLN HB2 . 19195 1 1196 . 1 1 112 112 GLN HB3 H 1 2.050 0.005 . 2 . 974 . . 112 GLN HB3 . 19195 1 1197 . 1 1 112 112 GLN HG2 H 1 2.517 0.01 . 2 . 977 . . 112 GLN HG2 . 19195 1 1198 . 1 1 112 112 GLN HG3 H 1 2.305 0.005 . 2 . 976 . . 112 GLN HG3 . 19195 1 1199 . 1 1 112 112 GLN CA C 13 58.941 0.032 . 1 . 588 . A 112 GLN CA . 19195 1 1200 . 1 1 112 112 GLN CB C 13 28.308 . . 1 . 771 . A 112 GLN CB . 19195 1 1201 . 1 1 112 112 GLN CG C 13 33.904 0.04 . 1 . 978 . A 112 GLN CG . 19195 1 1202 . 1 1 112 112 GLN N N 15 119.936 0.011 . 1 . 562 . A 112 GLN N . 19195 1 1203 . 1 1 113 113 LYS H H 1 8.372 0.003 . 1 . 555 . A 113 LYS H . 19195 1 1204 . 1 1 113 113 LYS HA H 1 3.978 0.006 . 1 . 984 . A 113 LYS HA . 19195 1 1205 . 1 1 113 113 LYS HB3 H 1 1.879 0.005 . 1 . 985 . . 113 LYS HB3 . 19195 1 1206 . 1 1 113 113 LYS HG2 H 1 1.425 0.0 . 2 . 1311 . . 113 LYS HG2 . 19195 1 1207 . 1 1 113 113 LYS HG3 H 1 1.613 0.004 . 2 . 1310 . . 113 LYS HG3 . 19195 1 1208 . 1 1 113 113 LYS HD2 H 1 1.626 . . 2 . 1314 . . 113 LYS HD2 . 19195 1 1209 . 1 1 113 113 LYS HD3 H 1 1.622 0.004 . 2 . 1313 . . 113 LYS HD3 . 19195 1 1210 . 1 1 113 113 LYS HE3 H 1 2.881 0.004 . 1 . 1308 . . 113 LYS HE3 . 19195 1 1211 . 1 1 113 113 LYS CA C 13 58.991 . . 1 . 587 . A 113 LYS CA . 19195 1 1212 . 1 1 113 113 LYS CB C 13 32.169 0.021 . 1 . 770 . A 113 LYS CB . 19195 1 1213 . 1 1 113 113 LYS CG C 13 25.588 0.003 . 1 . 1309 . A 113 LYS CG . 19195 1 1214 . 1 1 113 113 LYS CD C 13 29.145 . . 1 . 1312 . A 113 LYS CD . 19195 1 1215 . 1 1 113 113 LYS CE C 13 41.863 . . 1 . 1315 . A 113 LYS CE . 19195 1 1216 . 1 1 113 113 LYS N N 15 122.060 0.009 . 1 . 556 . A 113 LYS N . 19195 1 1217 . 1 1 114 114 ALA H H 1 7.403 0.003 . 1 . 414 . A 114 ALA H . 19195 1 1218 . 1 1 114 114 ALA HA H 1 4.253 0.003 . 1 . 986 . A 114 ALA HA . 19195 1 1219 . 1 1 114 114 ALA HB1 H 1 1.383 0.004 . 1 . 631 . . 114 ALA HB1 . 19195 1 1220 . 1 1 114 114 ALA HB2 H 1 1.383 0.004 . 1 . 631 . . 114 ALA HB2 . 19195 1 1221 . 1 1 114 114 ALA HB3 H 1 1.383 0.004 . 1 . 631 . . 114 ALA HB3 . 19195 1 1222 . 1 1 114 114 ALA C C 13 177.400 . . 1 . 420 . A 114 ALA C . 19195 1 1223 . 1 1 114 114 ALA CA C 13 52.116 0.073 . 1 . 416 . A 114 ALA CA . 19195 1 1224 . 1 1 114 114 ALA CB C 13 19.202 0.017 . 1 . 417 . A 114 ALA CB . 19195 1 1225 . 1 1 114 114 ALA N N 15 119.673 0.016 . 1 . 415 . A 114 ALA N . 19195 1 1226 . 1 1 115 115 GLY H H 1 7.735 0.001 . 1 . 418 . A 115 GLY H . 19195 1 1227 . 1 1 115 115 GLY HA2 H 1 3.712 0.001 . 2 . 988 . . 115 GLY HA2 . 19195 1 1228 . 1 1 115 115 GLY HA3 H 1 4.034 0.002 . 2 . 987 . . 115 GLY HA3 . 19195 1 1229 . 1 1 115 115 GLY C C 13 175.300 . . 1 . 425 . A 115 GLY C . 19195 1 1230 . 1 1 115 115 GLY CA C 13 45.484 0.018 . 1 . 421 . A 115 GLY CA . 19195 1 1231 . 1 1 115 115 GLY N N 15 106.120 . . 1 . 419 . A 115 GLY N . 19195 1 1232 . 1 1 116 116 MET H H 1 7.489 0.002 . 1 . 423 . A 116 MET H . 19195 1 1233 . 1 1 116 116 MET HA H 1 4.225 0.006 . 1 . 989 . A 116 MET HA . 19195 1 1234 . 1 1 116 116 MET HB2 H 1 2.025 0.006 . 2 . 1173 . . 116 MET HB2 . 19195 1 1235 . 1 1 116 116 MET HB3 H 1 1.559 0.007 . 2 . 1174 . . 116 MET HB3 . 19195 1 1236 . 1 1 116 116 MET HG2 H 1 2.365 0.005 . 2 . 1177 . . 116 MET HG2 . 19195 1 1237 . 1 1 116 116 MET HG3 H 1 2.366 0.005 . 2 . 1176 . . 116 MET HG3 . 19195 1 1238 . 1 1 116 116 MET HE1 H 1 1.735 0.005 . 1 . 1364 . . 116 MET HE1 . 19195 1 1239 . 1 1 116 116 MET HE2 H 1 1.735 0.005 . 1 . 1364 . . 116 MET HE2 . 19195 1 1240 . 1 1 116 116 MET HE3 H 1 1.735 0.005 . 1 . 1364 . . 116 MET HE3 . 19195 1 1241 . 1 1 116 116 MET C C 13 175.600 . . 1 . 430 . A 116 MET C . 19195 1 1242 . 1 1 116 116 MET CA C 13 56.950 0.017 . 1 . 426 . A 116 MET CA . 19195 1 1243 . 1 1 116 116 MET CB C 13 33.851 0.024 . 1 . 427 . A 116 MET CB . 19195 1 1244 . 1 1 116 116 MET CG C 13 33.267 0.044 . 1 . 1175 . A 116 MET CG . 19195 1 1245 . 1 1 116 116 MET CE C 13 17.463 0.042 . 1 . 1363 . A 116 MET CE . 19195 1 1246 . 1 1 116 116 MET N N 15 118.811 0.015 . 1 . 424 . A 116 MET N . 19195 1 1247 . 1 1 117 117 SER H H 1 8.537 0.003 . 1 . 428 . A 117 SER H . 19195 1 1248 . 1 1 117 117 SER HA H 1 4.374 0.0 . 1 . 993 . A 117 SER HA . 19195 1 1249 . 1 1 117 117 SER HB2 H 1 4.298 0.0 . 2 . 992 . . 117 SER HB2 . 19195 1 1250 . 1 1 117 117 SER HB3 H 1 3.929 . . 2 . 991 . . 117 SER HB3 . 19195 1 1251 . 1 1 117 117 SER C C 13 174.800 . . 1 . 435 . A 117 SER C . 19195 1 1252 . 1 1 117 117 SER CA C 13 56.930 . . 1 . 431 . A 117 SER CA . 19195 1 1253 . 1 1 117 117 SER CB C 13 65.623 . . 1 . 432 . A 117 SER CB . 19195 1 1254 . 1 1 117 117 SER N N 15 118.393 0.014 . 1 . 429 . A 117 SER N . 19195 1 1255 . 1 1 118 118 ALA H H 1 8.824 0.009 . 1 . 433 . A 118 ALA H . 19195 1 1256 . 1 1 118 118 ALA HA H 1 3.946 0.001 . 1 . 990 . A 118 ALA HA . 19195 1 1257 . 1 1 118 118 ALA HB1 H 1 1.382 0.006 . 1 . 627 . . 118 ALA HB1 . 19195 1 1258 . 1 1 118 118 ALA HB2 H 1 1.382 0.006 . 1 . 627 . . 118 ALA HB2 . 19195 1 1259 . 1 1 118 118 ALA HB3 H 1 1.382 0.006 . 1 . 627 . . 118 ALA HB3 . 19195 1 1260 . 1 1 118 118 ALA C C 13 180.230 . . 1 . 440 . A 118 ALA C . 19195 1 1261 . 1 1 118 118 ALA CA C 13 55.627 0.018 . 1 . 436 . A 118 ALA CA . 19195 1 1262 . 1 1 118 118 ALA CB C 13 17.964 0.066 . 1 . 437 . A 118 ALA CB . 19195 1 1263 . 1 1 118 118 ALA N N 15 124.185 0.034 . 1 . 434 . A 118 ALA N . 19195 1 1264 . 1 1 119 119 GLU H H 1 8.747 0.003 . 1 . 438 . A 119 GLU H . 19195 1 1265 . 1 1 119 119 GLU HA H 1 3.954 0.0 . 1 . 994 . A 119 GLU HA . 19195 1 1266 . 1 1 119 119 GLU HB2 H 1 1.852 0.006 . 2 . 995 . . 119 GLU HB2 . 19195 1 1267 . 1 1 119 119 GLU HB3 H 1 1.967 0.001 . 2 . 996 . . 119 GLU HB3 . 19195 1 1268 . 1 1 119 119 GLU HG2 H 1 2.327 0.001 . 2 . 998 . . 119 GLU HG2 . 19195 1 1269 . 1 1 119 119 GLU HG3 H 1 2.213 . . 2 . 997 . . 119 GLU HG3 . 19195 1 1270 . 1 1 119 119 GLU C C 13 179.700 . . 1 . 444 . A 119 GLU C . 19195 1 1271 . 1 1 119 119 GLU CA C 13 60.016 . . 1 . 441 . A 119 GLU CA . 19195 1 1272 . 1 1 119 119 GLU CB C 13 28.990 0.054 . 1 . 769 . A 119 GLU CB . 19195 1 1273 . 1 1 119 119 GLU N N 15 117.484 0.013 . 1 . 439 . A 119 GLU N . 19195 1 1274 . 1 1 120 120 GLN H H 1 7.716 0.003 . 1 . 442 . A 120 GLN H . 19195 1 1275 . 1 1 120 120 GLN HA H 1 3.932 0.011 . 1 . 720 . A 120 GLN HA . 19195 1 1276 . 1 1 120 120 GLN HB2 H 1 2.346 0.002 . 2 . 1005 . . 120 GLN HB2 . 19195 1 1277 . 1 1 120 120 GLN HB3 H 1 1.745 . . 2 . 1004 . . 120 GLN HB3 . 19195 1 1278 . 1 1 120 120 GLN HG2 H 1 2.134 0.001 . 2 . 1001 . . 120 GLN HG2 . 19195 1 1279 . 1 1 120 120 GLN HG3 H 1 2.422 0.004 . 2 . 1000 . . 120 GLN HG3 . 19195 1 1280 . 1 1 120 120 GLN C C 13 177.900 . . 1 . 449 . A 120 GLN C . 19195 1 1281 . 1 1 120 120 GLN CA C 13 59.022 . . 1 . 445 . A 120 GLN CA . 19195 1 1282 . 1 1 120 120 GLN CB C 13 28.870 0.017 . 1 . 446 . A 120 GLN CB . 19195 1 1283 . 1 1 120 120 GLN CG C 13 34.764 0.005 . 1 . 999 . A 120 GLN CG . 19195 1 1284 . 1 1 120 120 GLN N N 15 121.575 0.011 . 1 . 443 . A 120 GLN N . 19195 1 1285 . 1 1 121 121 ILE H H 1 8.282 0.004 . 1 . 447 . A 121 ILE H . 19195 1 1286 . 1 1 121 121 ILE HA H 1 3.511 0.007 . 1 . 719 . A 121 ILE HA . 19195 1 1287 . 1 1 121 121 ILE HB H 1 1.827 0.008 . 1 . 715 . A 121 ILE HB . 19195 1 1288 . 1 1 121 121 ILE HG12 H 1 1.031 0.008 . 2 . 713 . . 121 ILE HG12 . 19195 1 1289 . 1 1 121 121 ILE HG13 H 1 1.675 0.013 . 2 . 714 . . 121 ILE HG13 . 19195 1 1290 . 1 1 121 121 ILE HG21 H 1 0.794 0.004 . 1 . 1323 . . 121 ILE HG21 . 19195 1 1291 . 1 1 121 121 ILE HG22 H 1 0.794 0.004 . 1 . 1323 . . 121 ILE HG22 . 19195 1 1292 . 1 1 121 121 ILE HG23 H 1 0.794 0.004 . 1 . 1323 . . 121 ILE HG23 . 19195 1 1293 . 1 1 121 121 ILE HD11 H 1 0.638 0.003 . 1 . 712 . . 121 ILE HD11 . 19195 1 1294 . 1 1 121 121 ILE HD12 H 1 0.638 0.003 . 1 . 712 . . 121 ILE HD12 . 19195 1 1295 . 1 1 121 121 ILE HD13 H 1 0.638 0.003 . 1 . 712 . . 121 ILE HD13 . 19195 1 1296 . 1 1 121 121 ILE CA C 13 65.948 0.111 . 1 . 450 . A 121 ILE CA . 19195 1 1297 . 1 1 121 121 ILE CB C 13 38.026 0.025 . 1 . 451 . A 121 ILE CB . 19195 1 1298 . 1 1 121 121 ILE CG1 C 13 29.971 0.115 . 1 . 718 . A 121 ILE CG1 . 19195 1 1299 . 1 1 121 121 ILE CG2 C 13 17.031 0.038 . 1 . 717 . A 121 ILE CG2 . 19195 1 1300 . 1 1 121 121 ILE CD1 C 13 13.567 0.049 . 1 . 716 . A 121 ILE CD1 . 19195 1 1301 . 1 1 121 121 ILE N N 15 120.829 0.016 . 1 . 448 . A 121 ILE N . 19195 1 1302 . 1 1 122 122 GLU H H 1 8.192 0.002 . 1 . 534 . A 122 GLU H . 19195 1 1303 . 1 1 122 122 GLU HA H 1 3.760 0.01 . 1 . 1006 . A 122 GLU HA . 19195 1 1304 . 1 1 122 122 GLU HB2 H 1 1.977 0.003 . 1 . 1007 . . 122 GLU HB2 . 19195 1 1305 . 1 1 122 122 GLU HG3 H 1 2.274 0.004 . 1 . 1008 . . 122 GLU HG3 . 19195 1 1306 . 1 1 122 122 GLU C C 13 178.900 . . 1 . 454 . A 122 GLU C . 19195 1 1307 . 1 1 122 122 GLU CA C 13 59.188 0.016 . 1 . 586 . A 122 GLU CA . 19195 1 1308 . 1 1 122 122 GLU CB C 13 28.963 0.035 . 1 . 455 . A 122 GLU CB . 19195 1 1309 . 1 1 122 122 GLU CG C 13 36.006 0.004 . 1 . 1339 . A 122 GLU CG . 19195 1 1310 . 1 1 122 122 GLU N N 15 119.183 0.01 . 1 . 533 . A 122 GLU N . 19195 1 1311 . 1 1 123 123 TYR H H 1 7.637 0.003 . 1 . 452 . A 123 TYR H . 19195 1 1312 . 1 1 123 123 TYR HA H 1 4.010 0.004 . 1 . 1009 . A 123 TYR HA . 19195 1 1313 . 1 1 123 123 TYR HB2 H 1 3.039 0.005 . 2 . 947 . . 123 TYR HB2 . 19195 1 1314 . 1 1 123 123 TYR HB3 H 1 3.186 0.012 . 2 . 946 . . 123 TYR HB3 . 19195 1 1315 . 1 1 123 123 TYR HD1 H 1 6.850 0.007 . 3 . 1010 . A 123 TYR HD1 . 19195 1 1316 . 1 1 123 123 TYR HD2 H 1 6.850 0.007 . 3 . 1010 . A 123 TYR HD2 . 19195 1 1317 . 1 1 123 123 TYR HE1 H 1 6.623 0.005 . 3 . 1254 . A 123 TYR HE1 . 19195 1 1318 . 1 1 123 123 TYR HE2 H 1 6.623 0.005 . 3 . 1254 . A 123 TYR HE2 . 19195 1 1319 . 1 1 123 123 TYR C C 13 177.700 . . 1 . 457 . A 123 TYR C . 19195 1 1320 . 1 1 123 123 TYR CA C 13 61.797 0.035 . 1 . 585 . A 123 TYR CA . 19195 1 1321 . 1 1 123 123 TYR CB C 13 37.919 0.033 . 1 . 456 . A 123 TYR CB . 19195 1 1322 . 1 1 123 123 TYR CD1 C 13 133.474 0.003 . 3 . 1253 . A 123 TYR CD1 . 19195 1 1323 . 1 1 123 123 TYR CD2 C 13 133.474 0.003 . 3 . 1253 . A 123 TYR CD2 . 19195 1 1324 . 1 1 123 123 TYR CE1 C 13 118.629 0.075 . 3 . 1256 . A 123 TYR CE1 . 19195 1 1325 . 1 1 123 123 TYR CE2 C 13 118.629 0.075 . 3 . 1256 . A 123 TYR CE2 . 19195 1 1326 . 1 1 123 123 TYR N N 15 120.766 0.012 . 1 . 453 . A 123 TYR N . 19195 1 1327 . 1 1 124 124 VAL H H 1 7.976 0.003 . 1 . 535 . A 124 VAL H . 19195 1 1328 . 1 1 124 124 VAL HA H 1 3.139 0.011 . 1 . 1012 . A 124 VAL HA . 19195 1 1329 . 1 1 124 124 VAL HB H 1 1.975 0.004 . 1 . 1011 . A 124 VAL HB . 19195 1 1330 . 1 1 124 124 VAL HG11 H 1 1.039 0.007 . 2 . 644 . . 124 VAL HG11 . 19195 1 1331 . 1 1 124 124 VAL HG12 H 1 1.039 0.007 . 2 . 644 . . 124 VAL HG12 . 19195 1 1332 . 1 1 124 124 VAL HG13 H 1 1.039 0.007 . 2 . 644 . . 124 VAL HG13 . 19195 1 1333 . 1 1 124 124 VAL HG21 H 1 0.430 0.006 . 2 . 645 . . 124 VAL HG21 . 19195 1 1334 . 1 1 124 124 VAL HG22 H 1 0.430 0.006 . 2 . 645 . . 124 VAL HG22 . 19195 1 1335 . 1 1 124 124 VAL HG23 H 1 0.430 0.006 . 2 . 645 . . 124 VAL HG23 . 19195 1 1336 . 1 1 124 124 VAL C C 13 170.900 . . 1 . 458 . A 124 VAL C . 19195 1 1337 . 1 1 124 124 VAL CA C 13 67.172 0.031 . 1 . 584 . A 124 VAL CA . 19195 1 1338 . 1 1 124 124 VAL CB C 13 31.308 0.013 . 1 . 768 . A 124 VAL CB . 19195 1 1339 . 1 1 124 124 VAL CG1 C 13 23.834 0.102 . 2 . 646 . A 124 VAL CG1 . 19195 1 1340 . 1 1 124 124 VAL CG2 C 13 21.305 0.035 . 2 . 647 . A 124 VAL CG2 . 19195 1 1341 . 1 1 124 124 VAL N N 15 122.269 0.009 . 1 . 536 . A 124 VAL N . 19195 1 1342 . 1 1 125 125 LYS H H 1 7.967 0.002 . 1 . 559 . A 125 LYS H . 19195 1 1343 . 1 1 125 125 LYS HA H 1 3.189 0.003 . 1 . 1228 . A 125 LYS HA . 19195 1 1344 . 1 1 125 125 LYS HB2 H 1 1.490 0.007 . 2 . 1229 . . 125 LYS HB2 . 19195 1 1345 . 1 1 125 125 LYS HB3 H 1 1.578 0.002 . 2 . 1227 . . 125 LYS HB3 . 19195 1 1346 . 1 1 125 125 LYS HG2 H 1 0.921 0.009 . 2 . 1232 . . 125 LYS HG2 . 19195 1 1347 . 1 1 125 125 LYS HG3 H 1 1.342 0.002 . 2 . 1231 . . 125 LYS HG3 . 19195 1 1348 . 1 1 125 125 LYS HD2 H 1 1.406 0.003 . 2 . 1318 . . 125 LYS HD2 . 19195 1 1349 . 1 1 125 125 LYS HD3 H 1 1.470 0.002 . 2 . 1317 . . 125 LYS HD3 . 19195 1 1350 . 1 1 125 125 LYS HE2 H 1 2.682 0.001 . 2 . 1321 . . 125 LYS HE2 . 19195 1 1351 . 1 1 125 125 LYS HE3 H 1 2.765 0.004 . 2 . 1320 . . 125 LYS HE3 . 19195 1 1352 . 1 1 125 125 LYS CA C 13 58.878 0.03 . 1 . 583 . A 125 LYS CA . 19195 1 1353 . 1 1 125 125 LYS CB C 13 32.179 0.104 . 1 . 459 . A 125 LYS CB . 19195 1 1354 . 1 1 125 125 LYS CG C 13 24.606 0.03 . 1 . 1230 . A 125 LYS CG . 19195 1 1355 . 1 1 125 125 LYS CD C 13 29.997 0.008 . 1 . 1316 . A 125 LYS CD . 19195 1 1356 . 1 1 125 125 LYS CE C 13 41.383 0.008 . 1 . 1319 . A 125 LYS CE . 19195 1 1357 . 1 1 125 125 LYS N N 15 117.140 0.024 . 1 . 560 . A 125 LYS N . 19195 1 1358 . 1 1 126 126 ALA H H 1 7.386 0.004 . 1 . 460 . A 126 ALA H . 19195 1 1359 . 1 1 126 126 ALA HA H 1 4.174 0.004 . 1 . 633 . A 126 ALA HA . 19195 1 1360 . 1 1 126 126 ALA HB1 H 1 1.233 0.002 . 1 . 632 . . 126 ALA HB1 . 19195 1 1361 . 1 1 126 126 ALA HB2 H 1 1.233 0.002 . 1 . 632 . . 126 ALA HB2 . 19195 1 1362 . 1 1 126 126 ALA HB3 H 1 1.233 0.002 . 1 . 632 . . 126 ALA HB3 . 19195 1 1363 . 1 1 126 126 ALA C C 13 178.500 . . 1 . 466 . A 126 ALA C . 19195 1 1364 . 1 1 126 126 ALA CA C 13 52.910 0.083 . 1 . 462 . A 126 ALA CA . 19195 1 1365 . 1 1 126 126 ALA CB C 13 19.425 0.026 . 1 . 463 . A 126 ALA CB . 19195 1 1366 . 1 1 126 126 ALA N N 15 118.076 0.016 . 1 . 461 . A 126 ALA N . 19195 1 1367 . 1 1 127 127 ASN H H 1 7.276 0.003 . 1 . 464 . A 127 ASN H . 19195 1 1368 . 1 1 127 127 ASN HA H 1 4.647 0.002 . 1 . 1356 . A 127 ASN HA . 19195 1 1369 . 1 1 127 127 ASN HB2 H 1 2.275 0.002 . 2 . 1355 . . 127 ASN HB2 . 19195 1 1370 . 1 1 127 127 ASN HB3 H 1 1.889 0.021 . 2 . 1025 . . 127 ASN HB3 . 19195 1 1371 . 1 1 127 127 ASN C C 13 173.900 . . 1 . 471 . A 127 ASN C . 19195 1 1372 . 1 1 127 127 ASN CA C 13 54.749 0.025 . 1 . 467 . A 127 ASN CA . 19195 1 1373 . 1 1 127 127 ASN CB C 13 41.696 0.048 . 1 . 468 . A 127 ASN CB . 19195 1 1374 . 1 1 127 127 ASN N N 15 114.608 0.01 . 1 . 465 . A 127 ASN N . 19195 1 1375 . 1 1 128 128 LEU H H 1 7.985 0.003 . 1 . 469 . A 128 LEU H . 19195 1 1376 . 1 1 128 128 LEU HA H 1 4.529 0.003 . 1 . 1013 . A 128 LEU HA . 19195 1 1377 . 1 1 128 128 LEU HB2 H 1 1.397 0.004 . 2 . 1021 . . 128 LEU HB2 . 19195 1 1378 . 1 1 128 128 LEU HB3 H 1 1.482 0.005 . 2 . 1018 . . 128 LEU HB3 . 19195 1 1379 . 1 1 128 128 LEU HG H 1 1.263 0.012 . 1 . 1022 . A 128 LEU HG . 19195 1 1380 . 1 1 128 128 LEU HD11 H 1 0.420 0.008 . 2 . 1019 . . 128 LEU HD11 . 19195 1 1381 . 1 1 128 128 LEU HD12 H 1 0.420 0.008 . 2 . 1019 . . 128 LEU HD12 . 19195 1 1382 . 1 1 128 128 LEU HD13 H 1 0.420 0.008 . 2 . 1019 . . 128 LEU HD13 . 19195 1 1383 . 1 1 128 128 LEU HD21 H 1 0.051 0.037 . 2 . 1020 . . 128 LEU HD21 . 19195 1 1384 . 1 1 128 128 LEU HD22 H 1 0.051 0.037 . 2 . 1020 . . 128 LEU HD22 . 19195 1 1385 . 1 1 128 128 LEU HD23 H 1 0.051 0.037 . 2 . 1020 . . 128 LEU HD23 . 19195 1 1386 . 1 1 128 128 LEU CA C 13 53.867 0.014 . 1 . 472 . A 128 LEU CA . 19195 1 1387 . 1 1 128 128 LEU CB C 13 41.539 0.046 . 1 . 473 . A 128 LEU CB . 19195 1 1388 . 1 1 128 128 LEU CG C 13 30.110 0.018 . 1 . 1444 . A 128 LEU CG . 19195 1 1389 . 1 1 128 128 LEU CD1 C 13 24.196 0.102 . 2 . 1024 . A 128 LEU CD1 . 19195 1 1390 . 1 1 128 128 LEU CD2 C 13 23.516 0.102 . 2 . 1023 . A 128 LEU CD2 . 19195 1 1391 . 1 1 128 128 LEU N N 15 122.909 0.01 . 1 . 470 . A 128 LEU N . 19195 1 1392 . 1 1 129 129 PRO HA H 1 4.448 0.01 . 1 . 1015 . A 129 PRO HA . 19195 1 1393 . 1 1 129 129 PRO HB2 H 1 1.866 0.004 . 2 . 1017 . . 129 PRO HB2 . 19195 1 1394 . 1 1 129 129 PRO HB3 H 1 2.312 0.008 . 2 . 1016 . . 129 PRO HB3 . 19195 1 1395 . 1 1 129 129 PRO HG2 H 1 2.111 0.015 . 2 . 1350 . . 129 PRO HG2 . 19195 1 1396 . 1 1 129 129 PRO HG3 H 1 2.071 0.003 . 2 . 1351 . . 129 PRO HG3 . 19195 1 1397 . 1 1 129 129 PRO HD2 H 1 3.691 0.003 . 2 . 1354 . . 129 PRO HD2 . 19195 1 1398 . 1 1 129 129 PRO HD3 H 1 3.882 0.002 . 2 . 1353 . . 129 PRO HD3 . 19195 1 1399 . 1 1 129 129 PRO C C 13 177.500 . . 1 . 474 . A 129 PRO C . 19195 1 1400 . 1 1 129 129 PRO CA C 13 62.193 0.041 . 1 . 582 . A 129 PRO CA . 19195 1 1401 . 1 1 129 129 PRO CB C 13 32.142 0.034 . 1 . 475 . A 129 PRO CB . 19195 1 1402 . 1 1 129 129 PRO CG C 13 27.717 0.035 . 1 . 1349 . A 129 PRO CG . 19195 1 1403 . 1 1 129 129 PRO CD C 13 50.318 0.029 . 1 . 1352 . A 129 PRO CD . 19195 1 1404 . 1 1 130 130 GLN H H 1 8.493 0.005 . 1 . 528 . A 130 GLN H . 19195 1 1405 . 1 1 130 130 GLN HA H 1 4.110 0.004 . 1 . 1014 . A 130 GLN HA . 19195 1 1406 . 1 1 130 130 GLN HB2 H 1 1.794 0.002 . 2 . 1027 . . 130 GLN HB2 . 19195 1 1407 . 1 1 130 130 GLN HB3 H 1 1.856 0.003 . 2 . 1026 . . 130 GLN HB3 . 19195 1 1408 . 1 1 130 130 GLN HG2 H 1 1.955 0.012 . 2 . 1030 . . 130 GLN HG2 . 19195 1 1409 . 1 1 130 130 GLN HG3 H 1 2.174 0.005 . 2 . 1029 . . 130 GLN HG3 . 19195 1 1410 . 1 1 130 130 GLN CA C 13 56.201 0.036 . 1 . 581 . A 130 GLN CA . 19195 1 1411 . 1 1 130 130 GLN CB C 13 30.013 0.024 . 1 . 767 . A 130 GLN CB . 19195 1 1412 . 1 1 130 130 GLN CG C 13 34.777 0.032 . 1 . 1028 . A 130 GLN CG . 19195 1 1413 . 1 1 130 130 GLN N N 15 122.257 0.009 . 1 . 527 . A 130 GLN N . 19195 1 1414 . 1 1 131 131 LYS H H 1 8.180 0.004 . 1 . 530 . A 131 LYS H . 19195 1 1415 . 1 1 131 131 LYS HA H 1 4.181 0.012 . 1 . 1031 . A 131 LYS HA . 19195 1 1416 . 1 1 131 131 LYS HB2 H 1 1.372 0.003 . 2 . 1033 . . 131 LYS HB2 . 19195 1 1417 . 1 1 131 131 LYS HB3 H 1 1.460 0.001 . 2 . 1032 . . 131 LYS HB3 . 19195 1 1418 . 1 1 131 131 LYS HG2 H 1 1.089 . . 2 . 1036 . . 131 LYS HG2 . 19195 1 1419 . 1 1 131 131 LYS HG3 H 1 1.207 . . 2 . 1035 . . 131 LYS HG3 . 19195 1 1420 . 1 1 131 131 LYS C C 13 176.400 . . 1 . 478 . A 131 LYS C . 19195 1 1421 . 1 1 131 131 LYS CA C 13 56.137 . . 1 . 580 . A 131 LYS CA . 19195 1 1422 . 1 1 131 131 LYS CB C 13 35.078 0.119 . 1 . 766 . A 131 LYS CB . 19195 1 1423 . 1 1 131 131 LYS CG C 13 24.644 0.027 . 1 . 1034 . A 131 LYS CG . 19195 1 1424 . 1 1 131 131 LYS N N 15 125.905 0.013 . 1 . 529 . A 131 LYS N . 19195 1 1425 . 1 1 132 132 GLY H H 1 8.071 0.002 . 1 . 476 . A 132 GLY H . 19195 1 1426 . 1 1 132 132 GLY N N 15 123.073 0.025 . 1 . 477 . A 132 GLY N . 19195 1 1427 . 1 1 133 133 ASP CA C 13 54.013 . . 1 . 579 . A 133 ASP CA . 19195 1 1428 . 1 1 133 133 ASP CB C 13 40.622 . . 1 . 760 . A 133 ASP CB . 19195 1 1429 . 1 1 134 134 GLY H H 1 7.729 0.003 . 1 . 576 . A 134 GLY H . 19195 1 1430 . 1 1 134 134 GLY HA2 H 1 3.395 0.01 . 2 . 1038 . . 134 GLY HA2 . 19195 1 1431 . 1 1 134 134 GLY HA3 H 1 4.098 0.012 . 2 . 1037 . . 134 GLY HA3 . 19195 1 1432 . 1 1 134 134 GLY CA C 13 45.194 0.026 . 1 . 577 . A 134 GLY CA . 19195 1 1433 . 1 1 134 134 GLY N N 15 108.689 0.027 . 1 . 578 . A 134 GLY N . 19195 1 1434 . 1 1 135 135 TYR HA H 1 4.723 0.013 . 1 . 1241 . A 135 TYR HA . 19195 1 1435 . 1 1 135 135 TYR HB2 H 1 2.356 0.013 . 2 . 1244 . . 135 TYR HB2 . 19195 1 1436 . 1 1 135 135 TYR HB3 H 1 2.584 0.002 . 2 . 1243 . . 135 TYR HB3 . 19195 1 1437 . 1 1 135 135 TYR HD1 H 1 6.894 0.009 . 3 . 1242 . A 135 TYR HD1 . 19195 1 1438 . 1 1 135 135 TYR HD2 H 1 6.894 0.009 . 3 . 1242 . A 135 TYR HD2 . 19195 1 1439 . 1 1 135 135 TYR HE1 H 1 6.705 0.005 . 3 . 1237 . A 135 TYR HE1 . 19195 1 1440 . 1 1 135 135 TYR HE2 H 1 6.705 0.005 . 3 . 1237 . A 135 TYR HE2 . 19195 1 1441 . 1 1 135 135 TYR C C 13 175.300 . . 1 . 483 . A 135 TYR C . 19195 1 1442 . 1 1 135 135 TYR CA C 13 58.138 0.022 . 1 . 575 . A 135 TYR CA . 19195 1 1443 . 1 1 135 135 TYR CB C 13 40.943 0.052 . 1 . 484 . A 135 TYR CB . 19195 1 1444 . 1 1 135 135 TYR CD1 C 13 133.764 . . 3 . 1245 . A 135 TYR CD1 . 19195 1 1445 . 1 1 135 135 TYR CD2 C 13 133.764 . . 3 . 1245 . A 135 TYR CD2 . 19195 1 1446 . 1 1 135 135 TYR CE1 C 13 118.040 0.036 . 3 . 1238 . A 135 TYR CE1 . 19195 1 1447 . 1 1 135 135 TYR CE2 C 13 118.040 0.036 . 3 . 1238 . A 135 TYR CE2 . 19195 1 1448 . 1 1 136 136 ASP H H 1 8.737 0.008 . 1 . 481 . A 136 ASP H . 19195 1 1449 . 1 1 136 136 ASP HA H 1 4.547 0.008 . 1 . 1137 . A 136 ASP HA . 19195 1 1450 . 1 1 136 136 ASP HB2 H 1 2.145 0.009 . 2 . 1044 . . 136 ASP HB2 . 19195 1 1451 . 1 1 136 136 ASP HB3 H 1 2.886 0.017 . 2 . 1043 . . 136 ASP HB3 . 19195 1 1452 . 1 1 136 136 ASP C C 13 175.100 . . 1 . 489 . A 136 ASP C . 19195 1 1453 . 1 1 136 136 ASP CA C 13 52.882 0.12 . 1 . 485 . A 136 ASP CA . 19195 1 1454 . 1 1 136 136 ASP CB C 13 41.308 0.03 . 1 . 486 . A 136 ASP CB . 19195 1 1455 . 1 1 136 136 ASP N N 15 122.768 0.023 . 1 . 482 . A 136 ASP N . 19195 1 1456 . 1 1 137 137 TYR H H 1 7.526 0.003 . 1 . 487 . A 137 TYR H . 19195 1 1457 . 1 1 137 137 TYR HA H 1 4.218 0.003 . 1 . 1039 . A 137 TYR HA . 19195 1 1458 . 1 1 137 137 TYR HB2 H 1 2.341 0.008 . 2 . 1041 . . 137 TYR HB2 . 19195 1 1459 . 1 1 137 137 TYR HB3 H 1 2.781 0.006 . 2 . 1040 . . 137 TYR HB3 . 19195 1 1460 . 1 1 137 137 TYR HD1 H 1 6.808 0.005 . 3 . 1042 . A 137 TYR HD1 . 19195 1 1461 . 1 1 137 137 TYR HD2 H 1 6.808 0.005 . 3 . 1042 . A 137 TYR HD2 . 19195 1 1462 . 1 1 137 137 TYR HE1 H 1 6.642 0.005 . 3 . 1250 . A 137 TYR HE1 . 19195 1 1463 . 1 1 137 137 TYR HE2 H 1 6.642 0.005 . 3 . 1250 . A 137 TYR HE2 . 19195 1 1464 . 1 1 137 137 TYR C C 13 176.000 . . 1 . 494 . A 137 TYR C . 19195 1 1465 . 1 1 137 137 TYR CA C 13 58.786 0.021 . 1 . 490 . A 137 TYR CA . 19195 1 1466 . 1 1 137 137 TYR CB C 13 38.481 0.043 . 1 . 491 . A 137 TYR CB . 19195 1 1467 . 1 1 137 137 TYR CD1 C 13 133.390 0.01 . 3 . 1249 . A 137 TYR CD1 . 19195 1 1468 . 1 1 137 137 TYR CD2 C 13 133.390 0.01 . 3 . 1249 . A 137 TYR CD2 . 19195 1 1469 . 1 1 137 137 TYR CE1 C 13 118.459 0.045 . 3 . 1257 . A 137 TYR CE1 . 19195 1 1470 . 1 1 137 137 TYR CE2 C 13 118.459 0.045 . 3 . 1257 . A 137 TYR CE2 . 19195 1 1471 . 1 1 137 137 TYR N N 15 124.052 0.013 . 1 . 488 . A 137 TYR N . 19195 1 1472 . 1 1 138 138 ALA H H 1 7.839 0.003 . 1 . 492 . A 138 ALA H . 19195 1 1473 . 1 1 138 138 ALA HA H 1 3.867 0.006 . 1 . 1045 . A 138 ALA HA . 19195 1 1474 . 1 1 138 138 ALA HB1 H 1 1.231 0.006 . 1 . 624 . . 138 ALA HB1 . 19195 1 1475 . 1 1 138 138 ALA HB2 H 1 1.231 0.006 . 1 . 624 . . 138 ALA HB2 . 19195 1 1476 . 1 1 138 138 ALA HB3 H 1 1.231 0.006 . 1 . 624 . . 138 ALA HB3 . 19195 1 1477 . 1 1 138 138 ALA CA C 13 54.520 0.019 . 1 . 495 . A 138 ALA CA . 19195 1 1478 . 1 1 138 138 ALA CB C 13 18.142 0.054 . 1 . 496 . A 138 ALA CB . 19195 1 1479 . 1 1 138 138 ALA N N 15 124.484 0.018 . 1 . 493 . A 138 ALA N . 19195 1 1480 . 1 1 139 139 ALA H H 1 7.632 0.004 . 1 . 568 . A 139 ALA H . 19195 1 1481 . 1 1 139 139 ALA HA H 1 4.070 0.001 . 1 . 1046 . A 139 ALA HA . 19195 1 1482 . 1 1 139 139 ALA HB1 H 1 1.259 0.005 . 1 . 629 . . 139 ALA HB1 . 19195 1 1483 . 1 1 139 139 ALA HB2 H 1 1.259 0.005 . 1 . 629 . . 139 ALA HB2 . 19195 1 1484 . 1 1 139 139 ALA HB3 H 1 1.259 0.005 . 1 . 629 . . 139 ALA HB3 . 19195 1 1485 . 1 1 139 139 ALA CA C 13 53.304 0.038 . 1 . 574 . A 139 ALA CA . 19195 1 1486 . 1 1 139 139 ALA CB C 13 18.856 0.025 . 1 . 622 . A 139 ALA CB . 19195 1 1487 . 1 1 139 139 ALA N N 15 119.418 0.011 . 1 . 567 . A 139 ALA N . 19195 1 1488 . 1 1 140 140 TRP H H 1 7.618 0.005 . 1 . 507 . A 140 TRP H . 19195 1 1489 . 1 1 140 140 TRP HA H 1 4.443 0.004 . 1 . 1047 . A 140 TRP HA . 19195 1 1490 . 1 1 140 140 TRP HB2 H 1 3.161 0.006 . 2 . 1049 . . 140 TRP HB2 . 19195 1 1491 . 1 1 140 140 TRP HB3 H 1 3.441 0.011 . 2 . 1048 . . 140 TRP HB3 . 19195 1 1492 . 1 1 140 140 TRP HD1 H 1 7.169 0.006 . 1 . 1377 . A 140 TRP HD1 . 19195 1 1493 . 1 1 140 140 TRP HE3 H 1 7.463 0.004 . 1 . 1376 . A 140 TRP HE3 . 19195 1 1494 . 1 1 140 140 TRP HZ2 H 1 7.387 0.004 . 1 . 1268 . A 140 TRP HZ2 . 19195 1 1495 . 1 1 140 140 TRP HZ3 H 1 7.031 0.007 . 1 . 1270 . A 140 TRP HZ3 . 19195 1 1496 . 1 1 140 140 TRP HH2 H 1 7.111 0.006 . 1 . 1269 . A 140 TRP HH2 . 19195 1 1497 . 1 1 140 140 TRP C C 13 169.900 . . 1 . 498 . A 140 TRP C . 19195 1 1498 . 1 1 140 140 TRP CA C 13 58.403 0.038 . 1 . 573 . A 140 TRP CA . 19195 1 1499 . 1 1 140 140 TRP CB C 13 30.053 0.028 . 1 . 761 . A 140 TRP CB . 19195 1 1500 . 1 1 140 140 TRP CZ2 C 13 114.812 . . 1 . 1267 . A 140 TRP CZ2 . 19195 1 1501 . 1 1 140 140 TRP CZ3 C 13 121.844 . . 1 . 1271 . A 140 TRP CZ3 . 19195 1 1502 . 1 1 140 140 TRP CH2 C 13 124.551 0.002 . 1 . 1266 . A 140 TRP CH2 . 19195 1 1503 . 1 1 140 140 TRP N N 15 119.411 0.005 . 1 . 506 . A 140 TRP N . 19195 1 1504 . 1 1 141 141 VAL H H 1 7.715 0.003 . 1 . 504 . A 141 VAL H . 19195 1 1505 . 1 1 141 141 VAL HA H 1 3.788 0.008 . 1 . 655 . A 141 VAL HA . 19195 1 1506 . 1 1 141 141 VAL HB H 1 1.962 0.003 . 1 . 654 . A 141 VAL HB . 19195 1 1507 . 1 1 141 141 VAL HG11 H 1 0.866 0.007 . 2 . 656 . . 141 VAL HG11 . 19195 1 1508 . 1 1 141 141 VAL HG12 H 1 0.866 0.007 . 2 . 656 . . 141 VAL HG12 . 19195 1 1509 . 1 1 141 141 VAL HG13 H 1 0.866 0.007 . 2 . 656 . . 141 VAL HG13 . 19195 1 1510 . 1 1 141 141 VAL HG21 H 1 0.801 0.004 . 2 . 657 . . 141 VAL HG21 . 19195 1 1511 . 1 1 141 141 VAL HG22 H 1 0.801 0.004 . 2 . 657 . . 141 VAL HG22 . 19195 1 1512 . 1 1 141 141 VAL HG23 H 1 0.801 0.004 . 2 . 657 . . 141 VAL HG23 . 19195 1 1513 . 1 1 141 141 VAL C C 13 177.600 . . 1 . 499 . A 141 VAL C . 19195 1 1514 . 1 1 141 141 VAL CA C 13 62.843 0.007 . 1 . 572 . A 141 VAL CA . 19195 1 1515 . 1 1 141 141 VAL CB C 13 32.438 0.015 . 1 . 762 . A 141 VAL CB . 19195 1 1516 . 1 1 141 141 VAL CG1 C 13 20.971 0.06 . 2 . 659 . A 141 VAL CG1 . 19195 1 1517 . 1 1 141 141 VAL CG2 C 13 21.215 0.03 . 2 . 658 . A 141 VAL CG2 . 19195 1 1518 . 1 1 141 141 VAL N N 15 119.003 0.011 . 1 . 505 . A 141 VAL N . 19195 1 1519 . 1 1 142 142 LYS H H 1 7.655 0.002 . 1 . 502 . A 142 LYS H . 19195 1 1520 . 1 1 142 142 LYS HA H 1 4.183 0.004 . 1 . 1050 . A 142 LYS HA . 19195 1 1521 . 1 1 142 142 LYS HB2 H 1 1.647 0.001 . 2 . 1052 . . 142 LYS HB2 . 19195 1 1522 . 1 1 142 142 LYS HB3 H 1 1.747 0.014 . 2 . 1051 . . 142 LYS HB3 . 19195 1 1523 . 1 1 142 142 LYS CA C 13 56.610 . . 1 . 571 . A 142 LYS CA . 19195 1 1524 . 1 1 142 142 LYS CB C 13 32.952 0.003 . 1 . 763 . A 142 LYS CB . 19195 1 1525 . 1 1 142 142 LYS N N 15 123.396 0.02 . 1 . 503 . A 142 LYS N . 19195 1 1526 . 1 1 143 143 THR H H 1 7.904 0.003 . 1 . 500 . A 143 THR H . 19195 1 1527 . 1 1 143 143 THR HA H 1 4.262 0.002 . 1 . 1055 . A 143 THR HA . 19195 1 1528 . 1 1 143 143 THR HB H 1 4.182 0.006 . 1 . 1056 . A 143 THR HB . 19195 1 1529 . 1 1 143 143 THR HG21 H 1 1.094 0.003 . 1 . 1054 . . 143 THR HG21 . 19195 1 1530 . 1 1 143 143 THR HG22 H 1 1.094 0.003 . 1 . 1054 . . 143 THR HG22 . 19195 1 1531 . 1 1 143 143 THR HG23 H 1 1.094 0.003 . 1 . 1054 . . 143 THR HG23 . 19195 1 1532 . 1 1 143 143 THR CA C 13 61.601 0.045 . 1 . 570 . A 143 THR CA . 19195 1 1533 . 1 1 143 143 THR CB C 13 69.843 0.042 . 1 . 764 . A 143 THR CB . 19195 1 1534 . 1 1 143 143 THR CG2 C 13 21.455 0.002 . 1 . 1126 . A 143 THR CG2 . 19195 1 1535 . 1 1 143 143 THR N N 15 114.838 0.019 . 1 . 501 . A 143 THR N . 19195 1 1536 . 1 1 144 144 ASN H H 1 7.764 0.002 . 1 . 508 . A 144 ASN H . 19195 1 1537 . 1 1 144 144 ASN HA H 1 4.351 0.003 . 1 . 1053 . A 144 ASN HA . 19195 1 1538 . 1 1 144 144 ASN HB2 H 1 2.552 0.01 . 2 . 1058 . . 144 ASN HB2 . 19195 1 1539 . 1 1 144 144 ASN HB3 H 1 2.406 0.013 . 2 . 1057 . . 144 ASN HB3 . 19195 1 1540 . 1 1 144 144 ASN CA C 13 54.830 0.068 . 1 . 569 . A 144 ASN CA . 19195 1 1541 . 1 1 144 144 ASN CB C 13 40.358 0.044 . 1 . 765 . A 144 ASN CB . 19195 1 1542 . 1 1 144 144 ASN N N 15 126.737 0.034 . 1 . 509 . A 144 ASN N . 19195 1 stop_ save_