data_6910 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6910 _Entry.Title ; 1H,13C,15N chemical shift assignment for SMP-1 (Small Myrisoylated Protein-1) from Leishmania ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-29 _Entry.Accession_date 2005-11-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Paul Gooley . R. . 6910 2 Haydyn Mertens . 'D. T.' . 6910 3 Dedreia Tull . . . 6910 4 Malcolm McConville . J. . 6910 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6910 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 6910 '15N chemical shifts' 139 6910 '1H chemical shifts' 824 6910 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2005-12-29 update BMRB 'complete entry citation' 6910 1 . . 2006-04-14 2005-12-29 original author 'original release' 6910 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FE0 'BMRB Entry Tracking System' 6910 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6910 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16601858 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N Resonance Assignments of SMP-1: A Small Myristoylated Protein from Leishmania major' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 26 _Citation.Page_last 26 _Citation.Year 2006 _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 Paul Gooley . R. . 6910 1 2 Haydyn Mertens . 'D. T.' . 6910 1 3 Dedreia Tull . . . 6910 1 4 Malcolm McConville . J. . 6910 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6910 _Assembly.ID 1 _Assembly.Name SMP-1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 14988.8 _Assembly.Enzyme_commission_number . _Assembly.Details monomer _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 SMP-1 1 $SMP-1 . . yes native yes no . . . 6910 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SMP-1 _Entity.Sf_category entity _Entity.Sf_framecode SMP-1 _Entity.Entry_ID 6910 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SMP-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGCGASSENSSVTYVNGRPT FVGEEVTKGFEKDNGLLFRI VNKKKKQWAYYNDTTQYEMH VLVTFNEDCDIKALGKTKLE QQENGEWVASVVVYPCETEM FIEGRVNGFKSKMDALPLSE EYRQHQAEKDK ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14988.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2FE0 . "Nmr Structure Of Smp-1 (Small Myristoylated Protein) From Leishmania Major" . . . . . 100.00 136 100.00 100.00 6.04e-92 . . . . 6910 1 2 no EMBL CAJ04271 . "putative calpain-like cysteine peptidase [Leishmania major strain Friedlin]" . . . . . 100.00 131 100.00 100.00 4.26e-92 . . . . 6910 1 3 no EMBL CAM67513 . "putative small myristoylated protein-1 [Leishmania infantum JPCM5]" . . . . . 100.00 131 96.95 98.47 4.28e-89 . . . . 6910 1 4 no EMBL CBZ33770 . "calpain-like cysteine peptidase, putative [Leishmania donovani]" . . . . . 100.00 131 96.95 99.24 3.30e-89 . . . . 6910 1 5 no GB AAV59017 . "small myristoylated protein 1 [Leishmania major]" . . . . . 100.00 131 100.00 100.00 4.26e-92 . . . . 6910 1 6 no REF XP_001465265 . "putative small myristoylated protein-1 [Leishmania infantum JPCM5]" . . . . . 100.00 131 96.95 98.47 4.28e-89 . . . . 6910 1 7 no REF XP_001682883 . "putative calpain-like cysteine peptidase [Leishmania major strain Friedlin]" . . . . . 100.00 131 100.00 100.00 4.26e-92 . . . . 6910 1 8 no REF XP_003860476 . "calpain-like cysteine peptidase, putative [Leishmania donovani]" . . . . . 100.00 131 96.95 99.24 3.30e-89 . . . . 6910 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6910 1 2 . GLY . 6910 1 3 . CYS . 6910 1 4 . GLY . 6910 1 5 . ALA . 6910 1 6 . SER . 6910 1 7 . SER . 6910 1 8 . GLU . 6910 1 9 . ASN . 6910 1 10 . SER . 6910 1 11 . SER . 6910 1 12 . VAL . 6910 1 13 . THR . 6910 1 14 . TYR . 6910 1 15 . VAL . 6910 1 16 . ASN . 6910 1 17 . GLY . 6910 1 18 . ARG . 6910 1 19 . PRO . 6910 1 20 . THR . 6910 1 21 . PHE . 6910 1 22 . VAL . 6910 1 23 . GLY . 6910 1 24 . GLU . 6910 1 25 . GLU . 6910 1 26 . VAL . 6910 1 27 . THR . 6910 1 28 . LYS . 6910 1 29 . GLY . 6910 1 30 . PHE . 6910 1 31 . GLU . 6910 1 32 . LYS . 6910 1 33 . ASP . 6910 1 34 . ASN . 6910 1 35 . GLY . 6910 1 36 . LEU . 6910 1 37 . LEU . 6910 1 38 . PHE . 6910 1 39 . ARG . 6910 1 40 . ILE . 6910 1 41 . VAL . 6910 1 42 . ASN . 6910 1 43 . LYS . 6910 1 44 . LYS . 6910 1 45 . LYS . 6910 1 46 . LYS . 6910 1 47 . GLN . 6910 1 48 . TRP . 6910 1 49 . ALA . 6910 1 50 . TYR . 6910 1 51 . TYR . 6910 1 52 . ASN . 6910 1 53 . ASP . 6910 1 54 . THR . 6910 1 55 . THR . 6910 1 56 . GLN . 6910 1 57 . TYR . 6910 1 58 . GLU . 6910 1 59 . MET . 6910 1 60 . HIS . 6910 1 61 . VAL . 6910 1 62 . LEU . 6910 1 63 . VAL . 6910 1 64 . THR . 6910 1 65 . PHE . 6910 1 66 . ASN . 6910 1 67 . GLU . 6910 1 68 . ASP . 6910 1 69 . CYS . 6910 1 70 . ASP . 6910 1 71 . ILE . 6910 1 72 . LYS . 6910 1 73 . ALA . 6910 1 74 . LEU . 6910 1 75 . GLY . 6910 1 76 . LYS . 6910 1 77 . THR . 6910 1 78 . LYS . 6910 1 79 . LEU . 6910 1 80 . GLU . 6910 1 81 . GLN . 6910 1 82 . GLN . 6910 1 83 . GLU . 6910 1 84 . ASN . 6910 1 85 . GLY . 6910 1 86 . GLU . 6910 1 87 . TRP . 6910 1 88 . VAL . 6910 1 89 . ALA . 6910 1 90 . SER . 6910 1 91 . VAL . 6910 1 92 . VAL . 6910 1 93 . VAL . 6910 1 94 . TYR . 6910 1 95 . PRO . 6910 1 96 . CYS . 6910 1 97 . GLU . 6910 1 98 . THR . 6910 1 99 . GLU . 6910 1 100 . MET . 6910 1 101 . PHE . 6910 1 102 . ILE . 6910 1 103 . GLU . 6910 1 104 . GLY . 6910 1 105 . ARG . 6910 1 106 . VAL . 6910 1 107 . ASN . 6910 1 108 . GLY . 6910 1 109 . PHE . 6910 1 110 . LYS . 6910 1 111 . SER . 6910 1 112 . LYS . 6910 1 113 . MET . 6910 1 114 . ASP . 6910 1 115 . ALA . 6910 1 116 . LEU . 6910 1 117 . PRO . 6910 1 118 . LEU . 6910 1 119 . SER . 6910 1 120 . GLU . 6910 1 121 . GLU . 6910 1 122 . TYR . 6910 1 123 . ARG . 6910 1 124 . GLN . 6910 1 125 . HIS . 6910 1 126 . GLN . 6910 1 127 . ALA . 6910 1 128 . GLU . 6910 1 129 . LYS . 6910 1 130 . ASP . 6910 1 131 . LYS . 6910 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6910 1 . GLY 2 2 6910 1 . CYS 3 3 6910 1 . GLY 4 4 6910 1 . ALA 5 5 6910 1 . SER 6 6 6910 1 . SER 7 7 6910 1 . GLU 8 8 6910 1 . ASN 9 9 6910 1 . SER 10 10 6910 1 . SER 11 11 6910 1 . VAL 12 12 6910 1 . THR 13 13 6910 1 . TYR 14 14 6910 1 . VAL 15 15 6910 1 . ASN 16 16 6910 1 . GLY 17 17 6910 1 . ARG 18 18 6910 1 . PRO 19 19 6910 1 . THR 20 20 6910 1 . PHE 21 21 6910 1 . VAL 22 22 6910 1 . GLY 23 23 6910 1 . GLU 24 24 6910 1 . GLU 25 25 6910 1 . VAL 26 26 6910 1 . THR 27 27 6910 1 . LYS 28 28 6910 1 . GLY 29 29 6910 1 . PHE 30 30 6910 1 . GLU 31 31 6910 1 . LYS 32 32 6910 1 . ASP 33 33 6910 1 . ASN 34 34 6910 1 . GLY 35 35 6910 1 . LEU 36 36 6910 1 . LEU 37 37 6910 1 . PHE 38 38 6910 1 . ARG 39 39 6910 1 . ILE 40 40 6910 1 . VAL 41 41 6910 1 . ASN 42 42 6910 1 . LYS 43 43 6910 1 . LYS 44 44 6910 1 . LYS 45 45 6910 1 . LYS 46 46 6910 1 . GLN 47 47 6910 1 . TRP 48 48 6910 1 . ALA 49 49 6910 1 . TYR 50 50 6910 1 . TYR 51 51 6910 1 . ASN 52 52 6910 1 . ASP 53 53 6910 1 . THR 54 54 6910 1 . THR 55 55 6910 1 . GLN 56 56 6910 1 . TYR 57 57 6910 1 . GLU 58 58 6910 1 . MET 59 59 6910 1 . HIS 60 60 6910 1 . VAL 61 61 6910 1 . LEU 62 62 6910 1 . VAL 63 63 6910 1 . THR 64 64 6910 1 . PHE 65 65 6910 1 . ASN 66 66 6910 1 . GLU 67 67 6910 1 . ASP 68 68 6910 1 . CYS 69 69 6910 1 . ASP 70 70 6910 1 . ILE 71 71 6910 1 . LYS 72 72 6910 1 . ALA 73 73 6910 1 . LEU 74 74 6910 1 . GLY 75 75 6910 1 . LYS 76 76 6910 1 . THR 77 77 6910 1 . LYS 78 78 6910 1 . LEU 79 79 6910 1 . GLU 80 80 6910 1 . GLN 81 81 6910 1 . GLN 82 82 6910 1 . GLU 83 83 6910 1 . ASN 84 84 6910 1 . GLY 85 85 6910 1 . GLU 86 86 6910 1 . TRP 87 87 6910 1 . VAL 88 88 6910 1 . ALA 89 89 6910 1 . SER 90 90 6910 1 . VAL 91 91 6910 1 . VAL 92 92 6910 1 . VAL 93 93 6910 1 . TYR 94 94 6910 1 . PRO 95 95 6910 1 . CYS 96 96 6910 1 . GLU 97 97 6910 1 . THR 98 98 6910 1 . GLU 99 99 6910 1 . MET 100 100 6910 1 . PHE 101 101 6910 1 . ILE 102 102 6910 1 . GLU 103 103 6910 1 . GLY 104 104 6910 1 . ARG 105 105 6910 1 . VAL 106 106 6910 1 . ASN 107 107 6910 1 . GLY 108 108 6910 1 . PHE 109 109 6910 1 . LYS 110 110 6910 1 . SER 111 111 6910 1 . LYS 112 112 6910 1 . MET 113 113 6910 1 . ASP 114 114 6910 1 . ALA 115 115 6910 1 . LEU 116 116 6910 1 . PRO 117 117 6910 1 . LEU 118 118 6910 1 . SER 119 119 6910 1 . GLU 120 120 6910 1 . GLU 121 121 6910 1 . TYR 122 122 6910 1 . ARG 123 123 6910 1 . GLN 124 124 6910 1 . HIS 125 125 6910 1 . GLN 126 126 6910 1 . ALA 127 127 6910 1 . GLU 128 128 6910 1 . LYS 129 129 6910 1 . ASP 130 130 6910 1 . LYS 131 131 6910 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 6910 _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 $SMP-1 . 5664 organism . 'Leishmania major' 'Leishmania major' . . Eukaryota Protista Leishmania major . . . . . . . . . . . . . . . . . . . . . 6910 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 6910 _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 $SMP-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6910 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6910 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 SMP-1 '[U-13C; U-15N]' . . 1 $SMP-1 . protein 1 . . mM . . . . 6910 1 2 Dithiothreitol . . . . . . buffer 5 . . mM . . . . 6910 1 3 'Sodium Phosphate' . . . . . . buffer 50 . . mM . . . . 6910 1 4 H2O . . . . . . solvent 90 . . % . . . . 6910 1 5 D2O . . . . . . solvent 10 . . % . . . . 6910 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6910 _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' 50 5 mM 6910 1 pH 6.8 0.05 pH 6910 1 temperature 298 0.1 K 6910 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6910 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' ; NIH Laboratory of Chemical Physics, NIDDK ; . 6910 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6910 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruce Johnson' 'One Moon Scientific, Inc.' www.onemoonscientific.com 6910 2 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 6910 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '1H,13C,15N probe with single z-axis gradient' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6910 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '1H,13C,15N probe with single z-axis gradient' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6910 _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 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 3 H(CCO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 4 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 5 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 6 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 7 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 8 HNHB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 9 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 10 '1H-TOCSY-relayed ct-(13C,1H)HMQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 11 15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 12 13C-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6910 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6910 _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 DSS 'methyl carbon' . . . . ppm 0.0 internal indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6910 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6910 1 N 15 Ammonium nitrogen . . . . ppm 0.0 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6910 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6910 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6910 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 57.3 0.2 . 1 . . . . 1 MET CA . 6910 1 2 . 1 1 1 1 MET CB C 13 34.0 0.2 . 1 . . . . 1 MET CB . 6910 1 3 . 1 1 1 1 MET N N 15 127.2 0.2 . 1 . . . . 1 MET N . 6910 1 4 . 1 1 2 2 GLY H H 1 8.34 0.01 . 1 . . . . 2 GLY HN . 6910 1 5 . 1 1 2 2 GLY CA C 13 45.3 0.2 . 1 . . . . 2 GLY CA . 6910 1 6 . 1 1 2 2 GLY N N 15 110.3 0.2 . 1 . . . . 2 GLY N . 6910 1 7 . 1 1 3 3 CYS H H 1 8.29 0.01 . 1 . . . . 3 CYS HN . 6910 1 8 . 1 1 3 3 CYS HA H 1 4.65 0.01 . 1 . . . . 3 CYS HA . 6910 1 9 . 1 1 3 3 CYS HB3 H 1 3.00 0.01 . 2 . . . . 3 CYS HB3 . 6910 1 10 . 1 1 3 3 CYS CA C 13 58.3 0.2 . 1 . . . . 3 CYS CA . 6910 1 11 . 1 1 3 3 CYS CB C 13 28.4 0.2 . 1 . . . . 3 CYS CB . 6910 1 12 . 1 1 3 3 CYS N N 15 118.6 0.2 . 1 . . . . 3 CYS N . 6910 1 13 . 1 1 4 4 GLY H H 1 8.52 0.01 . 1 . . . . 4 GLY HN . 6910 1 14 . 1 1 4 4 GLY CA C 13 45.4 0.2 . 1 . . . . 4 GLY CA . 6910 1 15 . 1 1 4 4 GLY N N 15 111.4 0.2 . 1 . . . . 4 GLY N . 6910 1 16 . 1 1 5 5 ALA H H 1 8.26 0.01 . 1 . . . . 5 ALA HN . 6910 1 17 . 1 1 5 5 ALA HA H 1 4.43 0.01 . 1 . . . . 5 ALA HA . 6910 1 18 . 1 1 5 5 ALA HB1 H 1 1.45 0.01 . 1 . . . . 5 ALA HB . 6910 1 19 . 1 1 5 5 ALA HB2 H 1 1.45 0.01 . 1 . . . . 5 ALA HB . 6910 1 20 . 1 1 5 5 ALA HB3 H 1 1.45 0.01 . 1 . . . . 5 ALA HB . 6910 1 21 . 1 1 5 5 ALA CA C 13 52.6 0.2 . 1 . . . . 5 ALA CA . 6910 1 22 . 1 1 5 5 ALA CB C 13 19.5 0.2 . 1 . . . . 5 ALA CB . 6910 1 23 . 1 1 5 5 ALA N N 15 124.1 0.2 . 1 . . . . 5 ALA N . 6910 1 24 . 1 1 6 6 SER H H 1 8.45 0.01 . 1 . . . . 6 SER HN . 6910 1 25 . 1 1 6 6 SER CA C 13 58.4 0.2 . 1 . . . . 6 SER CA . 6910 1 26 . 1 1 6 6 SER CB C 13 64.0 0.2 . 1 . . . . 6 SER CB . 6910 1 27 . 1 1 6 6 SER N N 15 115.4 0.2 . 1 . . . . 6 SER N . 6910 1 28 . 1 1 7 7 SER HA H 1 4.53 0.01 . 1 . . . . 7 SER HA . 6910 1 29 . 1 1 7 7 SER HB3 H 1 3.94 0.01 . 2 . . . . 7 SER HB3 . 6910 1 30 . 1 1 7 7 SER CA C 13 58.5 0.2 . 1 . . . . 7 SER CA . 6910 1 31 . 1 1 7 7 SER CB C 13 63.9 0.2 . 1 . . . . 7 SER CB . 6910 1 32 . 1 1 8 8 GLU H H 1 8.49 0.01 . 1 . . . . 8 GLU HN . 6910 1 33 . 1 1 8 8 GLU HA H 1 4.35 0.01 . 1 . . . . 8 GLU HA . 6910 1 34 . 1 1 8 8 GLU HB2 H 1 1.99 0.01 . 2 . . . . 8 GLU HB2 . 6910 1 35 . 1 1 8 8 GLU HB3 H 1 2.12 0.01 . 2 . . . . 8 GLU HB3 . 6910 1 36 . 1 1 8 8 GLU HG3 H 1 2.31 0.01 . 2 . . . . 8 GLU HG3 . 6910 1 37 . 1 1 8 8 GLU CA C 13 57.0 0.2 . 1 . . . . 8 GLU CA . 6910 1 38 . 1 1 8 8 GLU CB C 13 30.2 0.2 . 1 . . . . 8 GLU CB . 6910 1 39 . 1 1 8 8 GLU CG C 13 36.3 0.2 . 1 . . . . 8 GLU CG . 6910 1 40 . 1 1 8 8 GLU N N 15 122.5 0.2 . 1 . . . . 8 GLU N . 6910 1 41 . 1 1 9 9 ASN H H 1 8.49 0.01 . 1 . . . . 9 ASN HN . 6910 1 42 . 1 1 9 9 ASN HA H 1 4.81 0.01 . 1 . . . . 9 ASN HA . 6910 1 43 . 1 1 9 9 ASN HB2 H 1 2.83 0.01 . 2 . . . . 9 ASN HB2 . 6910 1 44 . 1 1 9 9 ASN HB3 H 1 2.92 0.01 . 2 . . . . 9 ASN HB3 . 6910 1 45 . 1 1 9 9 ASN HD21 H 1 7.67 0.01 . 2 . . . . 9 ASN HD21 . 6910 1 46 . 1 1 9 9 ASN HD22 H 1 7.00 0.01 . 2 . . . . 9 ASN HD22 . 6910 1 47 . 1 1 9 9 ASN CA C 13 53.5 0.2 . 1 . . . . 9 ASN CA . 6910 1 48 . 1 1 9 9 ASN CB C 13 39.1 0.2 . 1 . . . . 9 ASN CB . 6910 1 49 . 1 1 9 9 ASN N N 15 119.6 0.2 . 1 . . . . 9 ASN N . 6910 1 50 . 1 1 9 9 ASN ND2 N 15 113.1 0.2 . 1 . . . . 9 ASN ND2 . 6910 1 51 . 1 1 10 10 SER H H 1 8.34 0.01 . 1 . . . . 10 SER HN . 6910 1 52 . 1 1 10 10 SER HA H 1 4.54 0.01 . 1 . . . . 10 SER HA . 6910 1 53 . 1 1 10 10 SER HB3 H 1 3.96 0.01 . 2 . . . . 10 SER HB3 . 6910 1 54 . 1 1 10 10 SER CA C 13 60.3 0.2 . 1 . . . . 10 SER CA . 6910 1 55 . 1 1 10 10 SER CB C 13 63.9 0.2 . 1 . . . . 10 SER CB . 6910 1 56 . 1 1 10 10 SER N N 15 116.2 0.2 . 1 . . . . 10 SER N . 6910 1 57 . 1 1 11 11 SER H H 1 8.40 0.01 . 1 . . . . 11 SER HN . 6910 1 58 . 1 1 11 11 SER HA H 1 4.53 0.01 . 1 . . . . 11 SER HA . 6910 1 59 . 1 1 11 11 SER HB3 H 1 3.93 0.01 . 2 . . . . 11 SER HB3 . 6910 1 60 . 1 1 11 11 SER CA C 13 58.6 0.2 . 1 . . . . 11 SER CA . 6910 1 61 . 1 1 11 11 SER CB C 13 63.9 0.2 . 1 . . . . 11 SER CB . 6910 1 62 . 1 1 11 11 SER N N 15 118.1 0.2 . 1 . . . . 11 SER N . 6910 1 63 . 1 1 12 12 VAL H H 1 7.94 0.01 . 1 . . . . 12 VAL HN . 6910 1 64 . 1 1 12 12 VAL HA H 1 4.32 0.01 . 1 . . . . 12 VAL HA . 6910 1 65 . 1 1 12 12 VAL HB H 1 1.76 0.01 . 1 . . . . 12 VAL HB . 6910 1 66 . 1 1 12 12 VAL HG11 H 1 0.54 0.01 . 1 . . . . 12 VAL HG1 . 6910 1 67 . 1 1 12 12 VAL HG12 H 1 0.54 0.01 . 1 . . . . 12 VAL HG1 . 6910 1 68 . 1 1 12 12 VAL HG13 H 1 0.54 0.01 . 1 . . . . 12 VAL HG1 . 6910 1 69 . 1 1 12 12 VAL HG21 H 1 0.63 0.01 . 1 . . . . 12 VAL HG2 . 6910 1 70 . 1 1 12 12 VAL HG22 H 1 0.63 0.01 . 1 . . . . 12 VAL HG2 . 6910 1 71 . 1 1 12 12 VAL HG23 H 1 0.63 0.01 . 1 . . . . 12 VAL HG2 . 6910 1 72 . 1 1 12 12 VAL CA C 13 61.5 0.2 . 1 . . . . 12 VAL CA . 6910 1 73 . 1 1 12 12 VAL CB C 13 33.7 0.2 . 1 . . . . 12 VAL CB . 6910 1 74 . 1 1 12 12 VAL CG1 C 13 21.3 0.2 . 1 . . . . 12 VAL CG1 . 6910 1 75 . 1 1 12 12 VAL CG2 C 13 20.0 0.2 . 1 . . . . 12 VAL CG2 . 6910 1 76 . 1 1 12 12 VAL N N 15 121.0 0.2 . 1 . . . . 12 VAL N . 6910 1 77 . 1 1 13 13 THR H H 1 8.45 0.01 . 1 . . . . 13 THR HN . 6910 1 78 . 1 1 13 13 THR HA H 1 4.22 0.01 . 1 . . . . 13 THR HA . 6910 1 79 . 1 1 13 13 THR HB H 1 3.95 0.01 . 1 . . . . 13 THR HB . 6910 1 80 . 1 1 13 13 THR HG21 H 1 1.12 0.01 . 1 . . . . 13 THR HG2 . 6910 1 81 . 1 1 13 13 THR HG22 H 1 1.12 0.01 . 1 . . . . 13 THR HG2 . 6910 1 82 . 1 1 13 13 THR HG23 H 1 1.12 0.01 . 1 . . . . 13 THR HG2 . 6910 1 83 . 1 1 13 13 THR CA C 13 61.2 0.2 . 1 . . . . 13 THR CA . 6910 1 84 . 1 1 13 13 THR CB C 13 70.8 0.2 . 1 . . . . 13 THR CB . 6910 1 85 . 1 1 13 13 THR CG2 C 13 21.4 0.2 . 1 . . . . 13 THR CG2 . 6910 1 86 . 1 1 13 13 THR N N 15 121.1 0.2 . 1 . . . . 13 THR N . 6910 1 87 . 1 1 14 14 TYR H H 1 8.18 0.01 . 1 . . . . 14 TYR HN . 6910 1 88 . 1 1 14 14 TYR HA H 1 4.69 0.01 . 1 . . . . 14 TYR HA . 6910 1 89 . 1 1 14 14 TYR HB2 H 1 2.79 0.01 . 1 . . . . 14 TYR HB2 . 6910 1 90 . 1 1 14 14 TYR HB3 H 1 3.68 0.01 . 1 . . . . 14 TYR HB3 . 6910 1 91 . 1 1 14 14 TYR HD1 H 1 6.71 0.01 . 1 . . . . 14 TYR HD1 . 6910 1 92 . 1 1 14 14 TYR HD2 H 1 6.71 0.01 . 1 . . . . 14 TYR HD2 . 6910 1 93 . 1 1 14 14 TYR HE1 H 1 5.87 0.01 . 1 . . . . 14 TYR HE1 . 6910 1 94 . 1 1 14 14 TYR HE2 H 1 5.87 0.01 . 1 . . . . 14 TYR HE2 . 6910 1 95 . 1 1 14 14 TYR CA C 13 56.7 0.2 . 1 . . . . 14 TYR CA . 6910 1 96 . 1 1 14 14 TYR CB C 13 39.5 0.2 . 1 . . . . 14 TYR CB . 6910 1 97 . 1 1 14 14 TYR CD1 C 13 132.0 0.2 . 1 . . . . 14 TYR CD1 . 6910 1 98 . 1 1 14 14 TYR CE1 C 13 117.6 0.2 . 1 . . . . 14 TYR CE1 . 6910 1 99 . 1 1 14 14 TYR N N 15 126.8 0.2 . 1 . . . . 14 TYR N . 6910 1 100 . 1 1 15 15 VAL H H 1 11.66 0.01 . 1 . . . . 15 VAL HN . 6910 1 101 . 1 1 15 15 VAL HA H 1 4.43 0.01 . 1 . . . . 15 VAL HA . 6910 1 102 . 1 1 15 15 VAL HB H 1 2.21 0.01 . 1 . . . . 15 VAL HB . 6910 1 103 . 1 1 15 15 VAL HG11 H 1 0.97 0.01 . 1 . . . . 15 VAL HG1 . 6910 1 104 . 1 1 15 15 VAL HG12 H 1 0.97 0.01 . 1 . . . . 15 VAL HG1 . 6910 1 105 . 1 1 15 15 VAL HG13 H 1 0.97 0.01 . 1 . . . . 15 VAL HG1 . 6910 1 106 . 1 1 15 15 VAL HG21 H 1 1.08 0.01 . 1 . . . . 15 VAL HG2 . 6910 1 107 . 1 1 15 15 VAL HG22 H 1 1.08 0.01 . 1 . . . . 15 VAL HG2 . 6910 1 108 . 1 1 15 15 VAL HG23 H 1 1.08 0.01 . 1 . . . . 15 VAL HG2 . 6910 1 109 . 1 1 15 15 VAL CA C 13 63.9 0.2 . 1 . . . . 15 VAL CA . 6910 1 110 . 1 1 15 15 VAL CB C 13 34.5 0.2 . 1 . . . . 15 VAL CB . 6910 1 111 . 1 1 15 15 VAL CG1 C 13 21.4 0.2 . 1 . . . . 15 VAL CG1 . 6910 1 112 . 1 1 15 15 VAL CG2 C 13 20.7 0.2 . 1 . . . . 15 VAL CG2 . 6910 1 113 . 1 1 15 15 VAL N N 15 123.7 0.2 . 1 . . . . 15 VAL N . 6910 1 114 . 1 1 16 16 ASN H H 1 9.52 0.01 . 1 . . . . 16 ASN HN . 6910 1 115 . 1 1 16 16 ASN HA H 1 5.20 0.01 . 1 . . . . 16 ASN HA . 6910 1 116 . 1 1 16 16 ASN HB2 H 1 2.52 0.01 . 1 . . . . 16 ASN HB2 . 6910 1 117 . 1 1 16 16 ASN HB3 H 1 2.70 0.01 . 1 . . . . 16 ASN HB3 . 6910 1 118 . 1 1 16 16 ASN HD21 H 1 8.60 0.01 . 2 . . . . 16 ASN HD21 . 6910 1 119 . 1 1 16 16 ASN HD22 H 1 7.25 0.01 . 2 . . . . 16 ASN HD22 . 6910 1 120 . 1 1 16 16 ASN CA C 13 54.1 0.2 . 1 . . . . 16 ASN CA . 6910 1 121 . 1 1 16 16 ASN CB C 13 41.5 0.2 . 1 . . . . 16 ASN CB . 6910 1 122 . 1 1 16 16 ASN N N 15 120.0 0.2 . 1 . . . . 16 ASN N . 6910 1 123 . 1 1 16 16 ASN ND2 N 15 117.9 0.2 . 1 . . . . 16 ASN ND2 . 6910 1 124 . 1 1 17 17 GLY H H 1 7.49 0.01 . 1 . . . . 17 GLY HN . 6910 1 125 . 1 1 17 17 GLY HA2 H 1 4.26 0.01 . 2 . . . . 17 GLY HA1 . 6910 1 126 . 1 1 17 17 GLY HA3 H 1 3.91 0.01 . 2 . . . . 17 GLY HA2 . 6910 1 127 . 1 1 17 17 GLY CA C 13 46.1 0.2 . 1 . . . . 17 GLY CA . 6910 1 128 . 1 1 17 17 GLY N N 15 109.8 0.2 . 1 . . . . 17 GLY N . 6910 1 129 . 1 1 18 18 ARG H H 1 7.82 0.01 . 1 . . . . 18 ARG HN . 6910 1 130 . 1 1 18 18 ARG HA H 1 3.99 0.01 . 1 . . . . 18 ARG HA . 6910 1 131 . 1 1 18 18 ARG HB2 H 1 1.39 0.01 . 2 . . . . 18 ARG HB2 . 6910 1 132 . 1 1 18 18 ARG HB3 H 1 1.54 0.01 . 2 . . . . 18 ARG HB3 . 6910 1 133 . 1 1 18 18 ARG HG3 H 1 1.47 0.01 . 2 . . . . 18 ARG HG3 . 6910 1 134 . 1 1 18 18 ARG HD2 H 1 3.14 0.01 . 2 . . . . 18 ARG HD2 . 6910 1 135 . 1 1 18 18 ARG HD3 H 1 3.18 0.01 . 2 . . . . 18 ARG HD3 . 6910 1 136 . 1 1 18 18 ARG CA C 13 52.1 0.2 . 1 . . . . 18 ARG CA . 6910 1 137 . 1 1 18 18 ARG CB C 13 32.1 0.2 . 1 . . . . 18 ARG CB . 6910 1 138 . 1 1 18 18 ARG CG C 13 26.7 0.2 . 1 . . . . 18 ARG CG . 6910 1 139 . 1 1 18 18 ARG N N 15 116.1 0.2 . 1 . . . . 18 ARG N . 6910 1 140 . 1 1 19 19 PRO HA H 1 3.98 0.01 . 1 . . . . 19 PRO HA . 6910 1 141 . 1 1 19 19 PRO HB3 H 1 1.78 0.01 . 2 . . . . 19 PRO HB3 . 6910 1 142 . 1 1 19 19 PRO HG2 H 1 1.74 0.01 . 2 . . . . 19 PRO HG2 . 6910 1 143 . 1 1 19 19 PRO HG3 H 1 1.29 0.01 . 2 . . . . 19 PRO HG3 . 6910 1 144 . 1 1 19 19 PRO HD2 H 1 1.54 0.01 . 2 . . . . 19 PRO HD2 . 6910 1 145 . 1 1 19 19 PRO HD3 H 1 2.77 0.01 . 2 . . . . 19 PRO HD3 . 6910 1 146 . 1 1 19 19 PRO CA C 13 61.0 0.2 . 1 . . . . 19 PRO CA . 6910 1 147 . 1 1 19 19 PRO CB C 13 32.6 0.2 . 1 . . . . 19 PRO CB . 6910 1 148 . 1 1 19 19 PRO CG C 13 26.7 0.2 . 1 . . . . 19 PRO CG . 6910 1 149 . 1 1 19 19 PRO CD C 13 50.1 0.2 . 1 . . . . 19 PRO CD . 6910 1 150 . 1 1 20 20 THR H H 1 8.54 0.01 . 1 . . . . 20 THR HN . 6910 1 151 . 1 1 20 20 THR HA H 1 4.31 0.01 . 1 . . . . 20 THR HA . 6910 1 152 . 1 1 20 20 THR HB H 1 4.65 0.01 . 1 . . . . 20 THR HB . 6910 1 153 . 1 1 20 20 THR HG21 H 1 1.30 0.01 . 1 . . . . 20 THR HG2 . 6910 1 154 . 1 1 20 20 THR HG22 H 1 1.30 0.01 . 1 . . . . 20 THR HG2 . 6910 1 155 . 1 1 20 20 THR HG23 H 1 1.30 0.01 . 1 . . . . 20 THR HG2 . 6910 1 156 . 1 1 20 20 THR CA C 13 61.2 0.2 . 1 . . . . 20 THR CA . 6910 1 157 . 1 1 20 20 THR CB C 13 68.0 0.2 . 1 . . . . 20 THR CB . 6910 1 158 . 1 1 20 20 THR CG2 C 13 21.8 0.2 . 1 . . . . 20 THR CG2 . 6910 1 159 . 1 1 20 20 THR N N 15 110.9 0.2 . 1 . . . . 20 THR N . 6910 1 160 . 1 1 21 21 PHE H H 1 6.64 0.01 . 1 . . . . 21 PHE HN . 6910 1 161 . 1 1 21 21 PHE HA H 1 4.87 0.01 . 1 . . . . 21 PHE HA . 6910 1 162 . 1 1 21 21 PHE HB2 H 1 3.08 0.01 . 1 . . . . 21 PHE HB2 . 6910 1 163 . 1 1 21 21 PHE HB3 H 1 2.25 0.01 . 1 . . . . 21 PHE HB3 . 6910 1 164 . 1 1 21 21 PHE HD1 H 1 7.06 0.01 . 1 . . . . 21 PHE HD1 . 6910 1 165 . 1 1 21 21 PHE HD2 H 1 7.06 0.01 . 1 . . . . 21 PHE HD2 . 6910 1 166 . 1 1 21 21 PHE CA C 13 56.3 0.2 . 1 . . . . 21 PHE CA . 6910 1 167 . 1 1 21 21 PHE CB C 13 43.1 0.2 . 1 . . . . 21 PHE CB . 6910 1 168 . 1 1 21 21 PHE CD1 C 13 132.2 0.2 . 1 . . . . 21 PHE CD1 . 6910 1 169 . 1 1 21 21 PHE N N 15 121.1 0.2 . 1 . . . . 21 PHE N . 6910 1 170 . 1 1 22 22 VAL H H 1 7.25 0.01 . 1 . . . . 22 VAL HN . 6910 1 171 . 1 1 22 22 VAL HA H 1 3.97 0.01 . 1 . . . . 22 VAL HA . 6910 1 172 . 1 1 22 22 VAL HB H 1 1.67 0.01 . 1 . . . . 22 VAL HB . 6910 1 173 . 1 1 22 22 VAL HG11 H 1 0.73 0.01 . 2 . . . . 22 VAL HG1 . 6910 1 174 . 1 1 22 22 VAL HG12 H 1 0.73 0.01 . 2 . . . . 22 VAL HG1 . 6910 1 175 . 1 1 22 22 VAL HG13 H 1 0.73 0.01 . 2 . . . . 22 VAL HG1 . 6910 1 176 . 1 1 22 22 VAL CA C 13 61.3 0.2 . 1 . . . . 22 VAL CA . 6910 1 177 . 1 1 22 22 VAL CB C 13 33.1 0.2 . 1 . . . . 22 VAL CB . 6910 1 178 . 1 1 22 22 VAL CG1 C 13 20.6 0.2 . 1 . . . . 22 VAL CG1 . 6910 1 179 . 1 1 22 22 VAL N N 15 125.1 0.2 . 1 . . . . 22 VAL N . 6910 1 180 . 1 1 23 23 GLY H H 1 7.32 0.01 . 1 . . . . 23 GLY HN . 6910 1 181 . 1 1 23 23 GLY HA2 H 1 4.05 0.01 . 2 . . . . 23 GLY HA1 . 6910 1 182 . 1 1 23 23 GLY HA3 H 1 3.30 0.01 . 2 . . . . 23 GLY HA2 . 6910 1 183 . 1 1 23 23 GLY CA C 13 44.7 0.2 . 1 . . . . 23 GLY CA . 6910 1 184 . 1 1 23 23 GLY N N 15 111.0 0.2 . 1 . . . . 23 GLY N . 6910 1 185 . 1 1 24 24 GLU H H 1 9.71 0.01 . 1 . . . . 24 GLU HN . 6910 1 186 . 1 1 24 24 GLU HA H 1 4.33 0.01 . 1 . . . . 24 GLU HA . 6910 1 187 . 1 1 24 24 GLU HB2 H 1 2.20 0.01 . 2 . . . . 24 GLU HB2 . 6910 1 188 . 1 1 24 24 GLU HB3 H 1 2.13 0.01 . 2 . . . . 24 GLU HB3 . 6910 1 189 . 1 1 24 24 GLU HG3 H 1 2.44 0.01 . 2 . . . . 24 GLU HG3 . 6910 1 190 . 1 1 24 24 GLU CA C 13 58.4 0.2 . 1 . . . . 24 GLU CA . 6910 1 191 . 1 1 24 24 GLU CB C 13 29.6 0.2 . 1 . . . . 24 GLU CB . 6910 1 192 . 1 1 24 24 GLU CG C 13 36.1 0.2 . 1 . . . . 24 GLU CG . 6910 1 193 . 1 1 24 24 GLU N N 15 120.2 0.2 . 1 . . . . 24 GLU N . 6910 1 194 . 1 1 25 25 GLU H H 1 8.05 0.01 . 1 . . . . 25 GLU HN . 6910 1 195 . 1 1 25 25 GLU HA H 1 4.77 0.01 . 1 . . . . 25 GLU HA . 6910 1 196 . 1 1 25 25 GLU HB2 H 1 2.06 0.01 . 2 . . . . 25 GLU HB2 . 6910 1 197 . 1 1 25 25 GLU HB3 H 1 1.91 0.01 . 2 . . . . 25 GLU HB3 . 6910 1 198 . 1 1 25 25 GLU HG2 H 1 2.23 0.01 . 2 . . . . 25 GLU HG2 . 6910 1 199 . 1 1 25 25 GLU HG3 H 1 2.01 0.01 . 2 . . . . 25 GLU HG3 . 6910 1 200 . 1 1 25 25 GLU CA C 13 55.1 0.2 . 1 . . . . 25 GLU CA . 6910 1 201 . 1 1 25 25 GLU CB C 13 32.0 0.2 . 1 . . . . 25 GLU CB . 6910 1 202 . 1 1 25 25 GLU CG C 13 36.3 0.2 . 1 . . . . 25 GLU CG . 6910 1 203 . 1 1 25 25 GLU N N 15 121.4 0.2 . 1 . . . . 25 GLU N . 6910 1 204 . 1 1 26 26 VAL H H 1 8.57 0.01 . 1 . . . . 26 VAL HN . 6910 1 205 . 1 1 26 26 VAL HA H 1 5.34 0.01 . 1 . . . . 26 VAL HA . 6910 1 206 . 1 1 26 26 VAL HB H 1 2.02 0.01 . 1 . . . . 26 VAL HB . 6910 1 207 . 1 1 26 26 VAL HG11 H 1 1.17 0.01 . 1 . . . . 26 VAL HG1 . 6910 1 208 . 1 1 26 26 VAL HG12 H 1 1.17 0.01 . 1 . . . . 26 VAL HG1 . 6910 1 209 . 1 1 26 26 VAL HG13 H 1 1.17 0.01 . 1 . . . . 26 VAL HG1 . 6910 1 210 . 1 1 26 26 VAL HG21 H 1 0.99 0.01 . 1 . . . . 26 VAL HG2 . 6910 1 211 . 1 1 26 26 VAL HG22 H 1 0.99 0.01 . 1 . . . . 26 VAL HG2 . 6910 1 212 . 1 1 26 26 VAL HG23 H 1 0.99 0.01 . 1 . . . . 26 VAL HG2 . 6910 1 213 . 1 1 26 26 VAL CA C 13 61.2 0.2 . 1 . . . . 26 VAL CA . 6910 1 214 . 1 1 26 26 VAL CB C 13 34.2 0.2 . 1 . . . . 26 VAL CB . 6910 1 215 . 1 1 26 26 VAL CG1 C 13 22.4 0.2 . 1 . . . . 26 VAL CG1 . 6910 1 216 . 1 1 26 26 VAL CG2 C 13 21.6 0.2 . 1 . . . . 26 VAL CG2 . 6910 1 217 . 1 1 26 26 VAL N N 15 127.8 0.2 . 1 . . . . 26 VAL N . 6910 1 218 . 1 1 27 27 THR H H 1 9.29 0.01 . 1 . . . . 27 THR HN . 6910 1 219 . 1 1 27 27 THR HA H 1 4.83 0.01 . 1 . . . . 27 THR HA . 6910 1 220 . 1 1 27 27 THR HB H 1 4.00 0.01 . 1 . . . . 27 THR HB . 6910 1 221 . 1 1 27 27 THR HG21 H 1 1.24 0.01 . 1 . . . . 27 THR HG2 . 6910 1 222 . 1 1 27 27 THR HG22 H 1 1.24 0.01 . 1 . . . . 27 THR HG2 . 6910 1 223 . 1 1 27 27 THR HG23 H 1 1.24 0.01 . 1 . . . . 27 THR HG2 . 6910 1 224 . 1 1 27 27 THR CA C 13 60.6 0.2 . 1 . . . . 27 THR CA . 6910 1 225 . 1 1 27 27 THR CB C 13 71.6 0.2 . 1 . . . . 27 THR CB . 6910 1 226 . 1 1 27 27 THR CG2 C 13 21.8 0.2 . 1 . . . . 27 THR CG2 . 6910 1 227 . 1 1 27 27 THR N N 15 121.1 0.2 . 1 . . . . 27 THR N . 6910 1 228 . 1 1 28 28 LYS H H 1 9.04 0.01 . 1 . . . . 28 LYS HN . 6910 1 229 . 1 1 28 28 LYS HA H 1 4.33 0.01 . 1 . . . . 28 LYS HA . 6910 1 230 . 1 1 28 28 LYS HB2 H 1 1.87 0.01 . 2 . . . . 28 LYS HB2 . 6910 1 231 . 1 1 28 28 LYS HB3 H 1 1.94 0.01 . 2 . . . . 28 LYS HB3 . 6910 1 232 . 1 1 28 28 LYS HG2 H 1 1.67 0.01 . 2 . . . . 28 LYS HG2 . 6910 1 233 . 1 1 28 28 LYS HG3 H 1 1.77 0.01 . 2 . . . . 28 LYS HG3 . 6910 1 234 . 1 1 28 28 LYS CA C 13 56.5 0.2 . 1 . . . . 28 LYS CA . 6910 1 235 . 1 1 28 28 LYS CB C 13 34.0 0.2 . 1 . . . . 28 LYS CB . 6910 1 236 . 1 1 28 28 LYS CG C 13 25.0 0.2 . 1 . . . . 28 LYS CG . 6910 1 237 . 1 1 28 28 LYS CD C 13 30.0 0.2 . 1 . . . . 28 LYS CD . 6910 1 238 . 1 1 28 28 LYS N N 15 125.2 0.2 . 1 . . . . 28 LYS N . 6910 1 239 . 1 1 29 29 GLY H H 1 9.22 0.01 . 1 . . . . 29 GLY HN . 6910 1 240 . 1 1 29 29 GLY HA2 H 1 3.92 0.01 . 2 . . . . 29 GLY HA1 . 6910 1 241 . 1 1 29 29 GLY HA3 H 1 3.26 0.01 . 2 . . . . 29 GLY HA2 . 6910 1 242 . 1 1 29 29 GLY CA C 13 46.0 0.2 . 1 . . . . 29 GLY CA . 6910 1 243 . 1 1 29 29 GLY N N 15 110.1 0.2 . 1 . . . . 29 GLY N . 6910 1 244 . 1 1 30 30 PHE H H 1 8.02 0.01 . 1 . . . . 30 PHE HN . 6910 1 245 . 1 1 30 30 PHE HA H 1 4.80 0.01 . 1 . . . . 30 PHE HA . 6910 1 246 . 1 1 30 30 PHE HB2 H 1 2.80 0.01 . 2 . . . . 30 PHE HB2 . 6910 1 247 . 1 1 30 30 PHE HB3 H 1 2.98 0.01 . 2 . . . . 30 PHE HB3 . 6910 1 248 . 1 1 30 30 PHE HD1 H 1 7.31 0.01 . 1 . . . . 30 PHE HD1 . 6910 1 249 . 1 1 30 30 PHE HD2 H 1 7.31 0.01 . 1 . . . . 30 PHE HD2 . 6910 1 250 . 1 1 30 30 PHE HE1 H 1 6.77 0.01 . 1 . . . . 30 PHE HE1 . 6910 1 251 . 1 1 30 30 PHE HE2 H 1 6.77 0.01 . 1 . . . . 30 PHE HE2 . 6910 1 252 . 1 1 30 30 PHE CA C 13 56.3 0.2 . 1 . . . . 30 PHE CA . 6910 1 253 . 1 1 30 30 PHE CB C 13 41.9 0.2 . 1 . . . . 30 PHE CB . 6910 1 254 . 1 1 30 30 PHE CD1 C 13 131.5 0.2 . 1 . . . . 30 PHE CD1 . 6910 1 255 . 1 1 30 30 PHE CE1 C 13 129.6 0.2 . 1 . . . . 30 PHE CE1 . 6910 1 256 . 1 1 30 30 PHE N N 15 116.4 0.2 . 1 . . . . 30 PHE N . 6910 1 257 . 1 1 31 31 GLU H H 1 8.74 0.01 . 1 . . . . 31 GLU HN . 6910 1 258 . 1 1 31 31 GLU HA H 1 4.47 0.01 . 1 . . . . 31 GLU HA . 6910 1 259 . 1 1 31 31 GLU HB2 H 1 2.18 0.01 . 2 . . . . 31 GLU HB2 . 6910 1 260 . 1 1 31 31 GLU HB3 H 1 1.89 0.01 . 2 . . . . 31 GLU HB3 . 6910 1 261 . 1 1 31 31 GLU HG2 H 1 2.26 0.01 . 2 . . . . 31 GLU HG2 . 6910 1 262 . 1 1 31 31 GLU HG3 H 1 2.32 0.01 . 2 . . . . 31 GLU HG3 . 6910 1 263 . 1 1 31 31 GLU CA C 13 55.2 0.2 . 1 . . . . 31 GLU CA . 6910 1 264 . 1 1 31 31 GLU CB C 13 28.8 0.2 . 1 . . . . 31 GLU CB . 6910 1 265 . 1 1 31 31 GLU CG C 13 36.0 0.2 . 1 . . . . 31 GLU CG . 6910 1 266 . 1 1 32 32 LYS H H 1 7.02 0.01 . 1 . . . . 32 LYS HN . 6910 1 267 . 1 1 32 32 LYS HA H 1 4.31 0.01 . 1 . . . . 32 LYS HA . 6910 1 268 . 1 1 32 32 LYS HB2 H 1 1.69 0.01 . 2 . . . . 32 LYS HB2 . 6910 1 269 . 1 1 32 32 LYS HB3 H 1 1.62 0.01 . 2 . . . . 32 LYS HB3 . 6910 1 270 . 1 1 32 32 LYS HD3 H 1 1.38 0.01 . 2 . . . . 32 LYS HD3 . 6910 1 271 . 1 1 32 32 LYS HE3 H 1 3.00 0.01 . 2 . . . . 32 LYS HE3 . 6910 1 272 . 1 1 32 32 LYS CA C 13 55.5 0.2 . 1 . . . . 32 LYS CA . 6910 1 273 . 1 1 32 32 LYS CB C 13 34.8 0.2 . 1 . . . . 32 LYS CB . 6910 1 274 . 1 1 32 32 LYS CG C 13 24.7 0.2 . 1 . . . . 32 LYS CG . 6910 1 275 . 1 1 32 32 LYS CD C 13 24.7 0.2 . 1 . . . . 32 LYS CD . 6910 1 276 . 1 1 32 32 LYS CE C 13 42.1 0.2 . 1 . . . . 32 LYS CE . 6910 1 277 . 1 1 32 32 LYS N N 15 119.5 0.2 . 1 . . . . 32 LYS N . 6910 1 278 . 1 1 33 33 ASP H H 1 9.05 0.01 . 1 . . . . 33 ASP HN . 6910 1 279 . 1 1 33 33 ASP HA H 1 4.25 0.01 . 1 . . . . 33 ASP HA . 6910 1 280 . 1 1 33 33 ASP HB2 H 1 2.85 0.01 . 2 . . . . 33 ASP HB2 . 6910 1 281 . 1 1 33 33 ASP HB3 H 1 2.98 0.01 . 2 . . . . 33 ASP HB3 . 6910 1 282 . 1 1 33 33 ASP CA C 13 55.9 0.2 . 1 . . . . 33 ASP CA . 6910 1 283 . 1 1 33 33 ASP CB C 13 39.4 0.2 . 1 . . . . 33 ASP CB . 6910 1 284 . 1 1 33 33 ASP N N 15 123.6 0.2 . 1 . . . . 33 ASP N . 6910 1 285 . 1 1 34 34 ASN H H 1 8.22 0.01 . 1 . . . . 34 ASN HN . 6910 1 286 . 1 1 34 34 ASN HA H 1 4.82 0.01 . 1 . . . . 34 ASN HA . 6910 1 287 . 1 1 34 34 ASN HB2 H 1 3.07 0.01 . 2 . . . . 34 ASN HB2 . 6910 1 288 . 1 1 34 34 ASN HB3 H 1 3.64 0.01 . 2 . . . . 34 ASN HB3 . 6910 1 289 . 1 1 34 34 ASN CA C 13 53.4 0.2 . 1 . . . . 34 ASN CA . 6910 1 290 . 1 1 34 34 ASN CB C 13 38.0 0.2 . 1 . . . . 34 ASN CB . 6910 1 291 . 1 1 34 34 ASN N N 15 120.6 0.2 . 1 . . . . 34 ASN N . 6910 1 292 . 1 1 35 35 GLY H H 1 8.74 0.01 . 1 . . . . 35 GLY HN . 6910 1 293 . 1 1 35 35 GLY HA2 H 1 4.40 0.01 . 2 . . . . 35 GLY HA1 . 6910 1 294 . 1 1 35 35 GLY HA3 H 1 4.28 0.01 . 2 . . . . 35 GLY HA2 . 6910 1 295 . 1 1 35 35 GLY CA C 13 44.7 0.2 . 1 . . . . 35 GLY CA . 6910 1 296 . 1 1 35 35 GLY N N 15 109.9 0.2 . 1 . . . . 35 GLY N . 6910 1 297 . 1 1 36 36 LEU H H 1 7.37 0.01 . 1 . . . . 36 LEU HN . 6910 1 298 . 1 1 36 36 LEU HA H 1 3.96 0.01 . 1 . . . . 36 LEU HA . 6910 1 299 . 1 1 36 36 LEU HB2 H 1 2.32 0.01 . 2 . . . . 36 LEU HB2 . 6910 1 300 . 1 1 36 36 LEU HB3 H 1 0.95 0.01 . 2 . . . . 36 LEU HB3 . 6910 1 301 . 1 1 36 36 LEU HG H 1 1.59 0.01 . 1 . . . . 36 LEU HG . 6910 1 302 . 1 1 36 36 LEU HD11 H 1 0.28 0.01 . 1 . . . . 36 LEU HD1 . 6910 1 303 . 1 1 36 36 LEU HD12 H 1 0.28 0.01 . 1 . . . . 36 LEU HD1 . 6910 1 304 . 1 1 36 36 LEU HD13 H 1 0.28 0.01 . 1 . . . . 36 LEU HD1 . 6910 1 305 . 1 1 36 36 LEU HD21 H 1 0.94 0.01 . 1 . . . . 36 LEU HD2 . 6910 1 306 . 1 1 36 36 LEU HD22 H 1 0.94 0.01 . 1 . . . . 36 LEU HD2 . 6910 1 307 . 1 1 36 36 LEU HD23 H 1 0.94 0.01 . 1 . . . . 36 LEU HD2 . 6910 1 308 . 1 1 36 36 LEU CA C 13 62.0 0.2 . 1 . . . . 36 LEU CA . 6910 1 309 . 1 1 36 36 LEU CB C 13 41.4 0.2 . 1 . . . . 36 LEU CB . 6910 1 310 . 1 1 36 36 LEU CG C 13 26.8 0.2 . 1 . . . . 36 LEU CG . 6910 1 311 . 1 1 36 36 LEU CD1 C 13 24.8 0.2 . 1 . . . . 36 LEU CD1 . 6910 1 312 . 1 1 36 36 LEU CD2 C 13 22.9 0.2 . 1 . . . . 36 LEU CD2 . 6910 1 313 . 1 1 36 36 LEU N N 15 110.8 0.2 . 1 . . . . 36 LEU N . 6910 1 314 . 1 1 37 37 LEU H H 1 9.55 0.01 . 1 . . . . 37 LEU HN . 6910 1 315 . 1 1 37 37 LEU HA H 1 5.14 0.01 . 1 . . . . 37 LEU HA . 6910 1 316 . 1 1 37 37 LEU HB2 H 1 1.54 0.01 . 1 . . . . 37 LEU HB2 . 6910 1 317 . 1 1 37 37 LEU HB3 H 1 1.77 0.01 . 1 . . . . 37 LEU HB3 . 6910 1 318 . 1 1 37 37 LEU HD11 H 1 0.89 0.01 . 1 . . . . 37 LEU HD1 . 6910 1 319 . 1 1 37 37 LEU HD12 H 1 0.89 0.01 . 1 . . . . 37 LEU HD1 . 6910 1 320 . 1 1 37 37 LEU HD13 H 1 0.89 0.01 . 1 . . . . 37 LEU HD1 . 6910 1 321 . 1 1 37 37 LEU HD21 H 1 0.89 0.01 . 1 . . . . 37 LEU HD2 . 6910 1 322 . 1 1 37 37 LEU HD22 H 1 0.89 0.01 . 1 . . . . 37 LEU HD2 . 6910 1 323 . 1 1 37 37 LEU HD23 H 1 0.89 0.01 . 1 . . . . 37 LEU HD2 . 6910 1 324 . 1 1 37 37 LEU CA C 13 52.8 0.2 . 1 . . . . 37 LEU CA . 6910 1 325 . 1 1 37 37 LEU CB C 13 47.2 0.2 . 1 . . . . 37 LEU CB . 6910 1 326 . 1 1 37 37 LEU CG C 13 27.2 0.2 . 1 . . . . 37 LEU CG . 6910 1 327 . 1 1 37 37 LEU CD1 C 13 22.5 0.2 . 1 . . . . 37 LEU CD1 . 6910 1 328 . 1 1 37 37 LEU CD2 C 13 27.3 0.2 . 1 . . . . 37 LEU CD2 . 6910 1 329 . 1 1 37 37 LEU N N 15 124.4 0.2 . 1 . . . . 37 LEU N . 6910 1 330 . 1 1 38 38 PHE H H 1 9.38 0.01 . 1 . . . . 38 PHE HN . 6910 1 331 . 1 1 38 38 PHE HA H 1 5.29 0.01 . 1 . . . . 38 PHE HA . 6910 1 332 . 1 1 38 38 PHE HB2 H 1 3.13 0.01 . 1 . . . . 38 PHE HB2 . 6910 1 333 . 1 1 38 38 PHE HB3 H 1 3.06 0.01 . 1 . . . . 38 PHE HB3 . 6910 1 334 . 1 1 38 38 PHE HD1 H 1 7.27 0.01 . 1 . . . . 38 PHE HD1 . 6910 1 335 . 1 1 38 38 PHE HD2 H 1 7.27 0.01 . 1 . . . . 38 PHE HD2 . 6910 1 336 . 1 1 38 38 PHE HE1 H 1 7.49 0.01 . 1 . . . . 38 PHE HE1 . 6910 1 337 . 1 1 38 38 PHE HE2 H 1 7.49 0.01 . 1 . . . . 38 PHE HE2 . 6910 1 338 . 1 1 38 38 PHE CA C 13 56.9 0.2 . 1 . . . . 38 PHE CA . 6910 1 339 . 1 1 38 38 PHE CB C 13 41.9 0.2 . 1 . . . . 38 PHE CB . 6910 1 340 . 1 1 38 38 PHE CD1 C 13 131.7 0.2 . 1 . . . . 38 PHE CD1 . 6910 1 341 . 1 1 38 38 PHE CE1 C 13 131.1 0.2 . 1 . . . . 38 PHE CE1 . 6910 1 342 . 1 1 38 38 PHE N N 15 124.7 0.2 . 1 . . . . 38 PHE N . 6910 1 343 . 1 1 39 39 ARG H H 1 8.93 0.01 . 1 . . . . 39 ARG HN . 6910 1 344 . 1 1 39 39 ARG HA H 1 4.23 0.01 . 1 . . . . 39 ARG HA . 6910 1 345 . 1 1 39 39 ARG HB2 H 1 1.25 0.01 . 2 . . . . 39 ARG HB2 . 6910 1 346 . 1 1 39 39 ARG HB3 H 1 1.75 0.01 . 2 . . . . 39 ARG HB3 . 6910 1 347 . 1 1 39 39 ARG HG2 H 1 0.60 0.01 . 2 . . . . 39 ARG HG2 . 6910 1 348 . 1 1 39 39 ARG HG3 H 1 0.50 0.01 . 2 . . . . 39 ARG HG3 . 6910 1 349 . 1 1 39 39 ARG HD2 H 1 2.09 0.01 . 2 . . . . 39 ARG HD2 . 6910 1 350 . 1 1 39 39 ARG HD3 H 1 2.40 0.01 . 2 . . . . 39 ARG HD3 . 6910 1 351 . 1 1 39 39 ARG CA C 13 54.7 0.2 . 1 . . . . 39 ARG CA . 6910 1 352 . 1 1 39 39 ARG CB C 13 31.5 0.2 . 1 . . . . 39 ARG CB . 6910 1 353 . 1 1 39 39 ARG CG C 13 26.2 0.2 . 1 . . . . 39 ARG CG . 6910 1 354 . 1 1 39 39 ARG CD C 13 43.0 0.2 . 1 . . . . 39 ARG CD . 6910 1 355 . 1 1 39 39 ARG N N 15 126.0 0.2 . 1 . . . . 39 ARG N . 6910 1 356 . 1 1 40 40 ILE H H 1 9.28 0.01 . 1 . . . . 40 ILE HN . 6910 1 357 . 1 1 40 40 ILE HA H 1 4.82 0.01 . 1 . . . . 40 ILE HA . 6910 1 358 . 1 1 40 40 ILE HB H 1 1.67 0.01 . 1 . . . . 40 ILE HB . 6910 1 359 . 1 1 40 40 ILE HG12 H 1 1.61 0.01 . 2 . . . . 40 ILE HG12 . 6910 1 360 . 1 1 40 40 ILE HG13 H 1 1.21 0.01 . 2 . . . . 40 ILE HG13 . 6910 1 361 . 1 1 40 40 ILE HG21 H 1 0.84 0.01 . 1 . . . . 40 ILE HG2 . 6910 1 362 . 1 1 40 40 ILE HG22 H 1 0.84 0.01 . 1 . . . . 40 ILE HG2 . 6910 1 363 . 1 1 40 40 ILE HG23 H 1 0.84 0.01 . 1 . . . . 40 ILE HG2 . 6910 1 364 . 1 1 40 40 ILE HD11 H 1 0.98 0.01 . 1 . . . . 40 ILE HD1 . 6910 1 365 . 1 1 40 40 ILE HD12 H 1 0.98 0.01 . 1 . . . . 40 ILE HD1 . 6910 1 366 . 1 1 40 40 ILE HD13 H 1 0.98 0.01 . 1 . . . . 40 ILE HD1 . 6910 1 367 . 1 1 40 40 ILE CA C 13 60.6 0.2 . 1 . . . . 40 ILE CA . 6910 1 368 . 1 1 40 40 ILE CB C 13 40.9 0.2 . 1 . . . . 40 ILE CB . 6910 1 369 . 1 1 40 40 ILE CG1 C 13 28.1 0.2 . 1 . . . . 40 ILE CG1 . 6910 1 370 . 1 1 40 40 ILE CG2 C 13 18.8 0.2 . 1 . . . . 40 ILE CG2 . 6910 1 371 . 1 1 40 40 ILE CD1 C 13 15.8 0.2 . 1 . . . . 40 ILE CD1 . 6910 1 372 . 1 1 40 40 ILE N N 15 130.1 0.2 . 1 . . . . 40 ILE N . 6910 1 373 . 1 1 41 41 VAL H H 1 9.01 0.01 . 1 . . . . 41 VAL HN . 6910 1 374 . 1 1 41 41 VAL HA H 1 4.93 0.01 . 1 . . . . 41 VAL HA . 6910 1 375 . 1 1 41 41 VAL HB H 1 1.84 0.01 . 1 . . . . 41 VAL HB . 6910 1 376 . 1 1 41 41 VAL HG11 H 1 0.77 0.01 . 1 . . . . 41 VAL HG1 . 6910 1 377 . 1 1 41 41 VAL HG12 H 1 0.77 0.01 . 1 . . . . 41 VAL HG1 . 6910 1 378 . 1 1 41 41 VAL HG13 H 1 0.77 0.01 . 1 . . . . 41 VAL HG1 . 6910 1 379 . 1 1 41 41 VAL HG21 H 1 -0.04 0.01 . 1 . . . . 41 VAL HG2 . 6910 1 380 . 1 1 41 41 VAL HG22 H 1 -0.04 0.01 . 1 . . . . 41 VAL HG2 . 6910 1 381 . 1 1 41 41 VAL HG23 H 1 -0.04 0.01 . 1 . . . . 41 VAL HG2 . 6910 1 382 . 1 1 41 41 VAL CA C 13 60.9 0.2 . 1 . . . . 41 VAL CA . 6910 1 383 . 1 1 41 41 VAL CB C 13 35.2 0.2 . 1 . . . . 41 VAL CB . 6910 1 384 . 1 1 41 41 VAL CG1 C 13 20.4 0.2 . 1 . . . . 41 VAL CG1 . 6910 1 385 . 1 1 41 41 VAL CG2 C 13 19.2 0.2 . 1 . . . . 41 VAL CG2 . 6910 1 386 . 1 1 41 41 VAL N N 15 126.2 0.2 . 1 . . . . 41 VAL N . 6910 1 387 . 1 1 42 42 ASN H H 1 8.90 0.01 . 1 . . . . 42 ASN HN . 6910 1 388 . 1 1 42 42 ASN HA H 1 5.47 0.01 . 1 . . . . 42 ASN HA . 6910 1 389 . 1 1 42 42 ASN HB2 H 1 2.81 0.01 . 1 . . . . 42 ASN HB2 . 6910 1 390 . 1 1 42 42 ASN HB3 H 1 3.19 0.01 . 1 . . . . 42 ASN HB3 . 6910 1 391 . 1 1 42 42 ASN HD21 H 1 7.59 0.01 . 2 . . . . 42 ASN HD21 . 6910 1 392 . 1 1 42 42 ASN HD22 H 1 7.18 0.01 . 2 . . . . 42 ASN HD22 . 6910 1 393 . 1 1 42 42 ASN CA C 13 51.4 0.2 . 1 . . . . 42 ASN CA . 6910 1 394 . 1 1 42 42 ASN CB C 13 41.5 0.2 . 1 . . . . 42 ASN CB . 6910 1 395 . 1 1 42 42 ASN N N 15 125.0 0.2 . 1 . . . . 42 ASN N . 6910 1 396 . 1 1 42 42 ASN ND2 N 15 114.7 0.2 . 1 . . . . 42 ASN ND2 . 6910 1 397 . 1 1 43 43 LYS H H 1 10.26 0.01 . 1 . . . . 43 LYS HN . 6910 1 398 . 1 1 43 43 LYS HA H 1 4.18 0.01 . 1 . . . . 43 LYS HA . 6910 1 399 . 1 1 43 43 LYS HB3 H 1 1.95 0.01 . 2 . . . . 43 LYS HB3 . 6910 1 400 . 1 1 43 43 LYS HG2 H 1 1.48 0.01 . 2 . . . . 43 LYS HG2 . 6910 1 401 . 1 1 43 43 LYS HG3 H 1 1.61 0.01 . 2 . . . . 43 LYS HG3 . 6910 1 402 . 1 1 43 43 LYS HD3 H 1 1.76 0.01 . 2 . . . . 43 LYS HD3 . 6910 1 403 . 1 1 43 43 LYS HE3 H 1 3.01 0.01 . 2 . . . . 43 LYS HE3 . 6910 1 404 . 1 1 43 43 LYS CA C 13 59.7 0.2 . 1 . . . . 43 LYS CA . 6910 1 405 . 1 1 43 43 LYS CB C 13 32.0 0.2 . 1 . . . . 43 LYS CB . 6910 1 406 . 1 1 43 43 LYS CG C 13 25.3 0.2 . 1 . . . . 43 LYS CG . 6910 1 407 . 1 1 43 43 LYS CD C 13 28.9 0.2 . 1 . . . . 43 LYS CD . 6910 1 408 . 1 1 43 43 LYS CE C 13 41.5 0.2 . 1 . . . . 43 LYS CE . 6910 1 409 . 1 1 43 43 LYS N N 15 127.8 0.2 . 1 . . . . 43 LYS N . 6910 1 410 . 1 1 44 44 LYS H H 1 8.57 0.01 . 1 . . . . 44 LYS HN . 6910 1 411 . 1 1 44 44 LYS HA H 1 4.18 0.01 . 1 . . . . 44 LYS HA . 6910 1 412 . 1 1 44 44 LYS HB3 H 1 1.99 0.01 . 2 . . . . 44 LYS HB3 . 6910 1 413 . 1 1 44 44 LYS HG2 H 1 1.48 0.01 . 2 . . . . 44 LYS HG2 . 6910 1 414 . 1 1 44 44 LYS HG3 H 1 1.60 0.01 . 2 . . . . 44 LYS HG3 . 6910 1 415 . 1 1 44 44 LYS HD3 H 1 1.75 0.01 . 2 . . . . 44 LYS HD3 . 6910 1 416 . 1 1 44 44 LYS HE3 H 1 3.04 0.01 . 2 . . . . 44 LYS HE3 . 6910 1 417 . 1 1 44 44 LYS CA C 13 59.3 0.2 . 1 . . . . 44 LYS CA . 6910 1 418 . 1 1 44 44 LYS CB C 13 32.1 0.2 . 1 . . . . 44 LYS CB . 6910 1 419 . 1 1 44 44 LYS CG C 13 25.3 0.2 . 1 . . . . 44 LYS CG . 6910 1 420 . 1 1 44 44 LYS CD C 13 29.0 0.2 . 1 . . . . 44 LYS CD . 6910 1 421 . 1 1 44 44 LYS CE C 13 42.1 0.2 . 1 . . . . 44 LYS CE . 6910 1 422 . 1 1 44 44 LYS N N 15 120.7 0.2 . 1 . . . . 44 LYS N . 6910 1 423 . 1 1 45 45 LYS H H 1 8.09 0.01 . 1 . . . . 45 LYS HN . 6910 1 424 . 1 1 45 45 LYS HA H 1 4.20 0.01 . 1 . . . . 45 LYS HA . 6910 1 425 . 1 1 45 45 LYS HB2 H 1 1.47 0.01 . 2 . . . . 45 LYS HB2 . 6910 1 426 . 1 1 45 45 LYS HB3 H 1 1.96 0.01 . 2 . . . . 45 LYS HB3 . 6910 1 427 . 1 1 45 45 LYS HG2 H 1 1.66 0.01 . 2 . . . . 45 LYS HG2 . 6910 1 428 . 1 1 45 45 LYS HG3 H 1 1.79 0.01 . 2 . . . . 45 LYS HG3 . 6910 1 429 . 1 1 45 45 LYS HE3 H 1 3.04 0.01 . 2 . . . . 45 LYS HE3 . 6910 1 430 . 1 1 45 45 LYS CA C 13 56.7 0.2 . 1 . . . . 45 LYS CA . 6910 1 431 . 1 1 45 45 LYS CB C 13 33.4 0.2 . 1 . . . . 45 LYS CB . 6910 1 432 . 1 1 45 45 LYS CG C 13 25.9 0.2 . 1 . . . . 45 LYS CG . 6910 1 433 . 1 1 45 45 LYS CD C 13 29.3 0.2 . 1 . . . . 45 LYS CD . 6910 1 434 . 1 1 45 45 LYS N N 15 115.8 0.2 . 1 . . . . 45 LYS N . 6910 1 435 . 1 1 46 46 LYS H H 1 8.06 0.01 . 1 . . . . 46 LYS HN . 6910 1 436 . 1 1 46 46 LYS HA H 1 4.06 0.01 . 1 . . . . 46 LYS HA . 6910 1 437 . 1 1 46 46 LYS HB2 H 1 2.28 0.01 . 2 . . . . 46 LYS HB2 . 6910 1 438 . 1 1 46 46 LYS HB3 H 1 2.16 0.01 . 2 . . . . 46 LYS HB3 . 6910 1 439 . 1 1 46 46 LYS HG2 H 1 1.37 0.01 . 2 . . . . 46 LYS HG2 . 6910 1 440 . 1 1 46 46 LYS HG3 H 1 1.46 0.01 . 2 . . . . 46 LYS HG3 . 6910 1 441 . 1 1 46 46 LYS HD3 H 1 1.65 0.01 . 2 . . . . 46 LYS HD3 . 6910 1 442 . 1 1 46 46 LYS HE3 H 1 3.04 0.01 . 2 . . . . 46 LYS HE3 . 6910 1 443 . 1 1 46 46 LYS CA C 13 56.8 0.2 . 1 . . . . 46 LYS CA . 6910 1 444 . 1 1 46 46 LYS CB C 13 28.9 0.2 . 1 . . . . 46 LYS CB . 6910 1 445 . 1 1 46 46 LYS CG C 13 24.6 0.2 . 1 . . . . 46 LYS CG . 6910 1 446 . 1 1 46 46 LYS CD C 13 29.7 0.2 . 1 . . . . 46 LYS CD . 6910 1 447 . 1 1 46 46 LYS CE C 13 42.2 0.2 . 1 . . . . 46 LYS CE . 6910 1 448 . 1 1 46 46 LYS N N 15 115.9 0.2 . 1 . . . . 46 LYS N . 6910 1 449 . 1 1 47 47 GLN H H 1 7.62 0.01 . 1 . . . . 47 GLN HN . 6910 1 450 . 1 1 47 47 GLN HA H 1 5.51 0.01 . 1 . . . . 47 GLN HA . 6910 1 451 . 1 1 47 47 GLN HB2 H 1 2.28 0.01 . 1 . . . . 47 GLN HB2 . 6910 1 452 . 1 1 47 47 GLN HB3 H 1 2.71 0.01 . 1 . . . . 47 GLN HB3 . 6910 1 453 . 1 1 47 47 GLN HG2 H 1 1.70 0.01 . 2 . . . . 47 GLN HG2 . 6910 1 454 . 1 1 47 47 GLN HG3 H 1 2.11 0.01 . 2 . . . . 47 GLN HG3 . 6910 1 455 . 1 1 47 47 GLN HE21 H 1 7.71 0.01 . 2 . . . . 47 GLN HE21 . 6910 1 456 . 1 1 47 47 GLN HE22 H 1 6.43 0.01 . 2 . . . . 47 GLN HE22 . 6910 1 457 . 1 1 47 47 GLN CA C 13 54.5 0.2 . 1 . . . . 47 GLN CA . 6910 1 458 . 1 1 47 47 GLN CB C 13 34.0 0.2 . 1 . . . . 47 GLN CB . 6910 1 459 . 1 1 47 47 GLN CG C 13 34.0 0.2 . 1 . . . . 47 GLN CG . 6910 1 460 . 1 1 47 47 GLN N N 15 112.5 0.2 . 1 . . . . 47 GLN N . 6910 1 461 . 1 1 47 47 GLN NE2 N 15 108.0 0.2 . 1 . . . . 47 GLN NE2 . 6910 1 462 . 1 1 48 48 TRP H H 1 8.89 0.01 . 1 . . . . 48 TRP HN . 6910 1 463 . 1 1 48 48 TRP HA H 1 6.03 0.01 . 1 . . . . 48 TRP HA . 6910 1 464 . 1 1 48 48 TRP HB2 H 1 3.50 0.01 . 1 . . . . 48 TRP HB2 . 6910 1 465 . 1 1 48 48 TRP HB3 H 1 3.17 0.01 . 1 . . . . 48 TRP HB3 . 6910 1 466 . 1 1 48 48 TRP HD1 H 1 6.93 0.01 . 1 . . . . 48 TRP HD1 . 6910 1 467 . 1 1 48 48 TRP HE1 H 1 10.15 0.01 . 1 . . . . 48 TRP HE1 . 6910 1 468 . 1 1 48 48 TRP HE3 H 1 7.47 0.01 . 1 . . . . 48 TRP HE3 . 6910 1 469 . 1 1 48 48 TRP HZ2 H 1 7.10 0.01 . 1 . . . . 48 TRP HZ2 . 6910 1 470 . 1 1 48 48 TRP HZ3 H 1 6.77 0.01 . 1 . . . . 48 TRP HZ3 . 6910 1 471 . 1 1 48 48 TRP HH2 H 1 5.17 0.01 . 1 . . . . 48 TRP HH2 . 6910 1 472 . 1 1 48 48 TRP CA C 13 53.9 0.2 . 1 . . . . 48 TRP CA . 6910 1 473 . 1 1 48 48 TRP CB C 13 34.4 0.2 . 1 . . . . 48 TRP CB . 6910 1 474 . 1 1 48 48 TRP CD1 C 13 123.7 0.2 . 1 . . . . 48 TRP CD1 . 6910 1 475 . 1 1 48 48 TRP CE3 C 13 119.8 0.2 . 1 . . . . 48 TRP CE3 . 6910 1 476 . 1 1 48 48 TRP CZ2 C 13 113.7 0.2 . 1 . . . . 48 TRP CZ2 . 6910 1 477 . 1 1 48 48 TRP CZ3 C 13 121.3 0.2 . 1 . . . . 48 TRP CZ3 . 6910 1 478 . 1 1 48 48 TRP CH2 C 13 124.3 0.2 . 1 . . . . 48 TRP CH2 . 6910 1 479 . 1 1 48 48 TRP N N 15 120.2 0.2 . 1 . . . . 48 TRP N . 6910 1 480 . 1 1 48 48 TRP NE1 N 15 128.6 0.2 . 1 . . . . 48 TRP NE1 . 6910 1 481 . 1 1 49 49 ALA H H 1 9.43 0.01 . 1 . . . . 49 ALA HN . 6910 1 482 . 1 1 49 49 ALA HA H 1 5.06 0.01 . 1 . . . . 49 ALA HA . 6910 1 483 . 1 1 49 49 ALA HB1 H 1 1.09 0.01 . 1 . . . . 49 ALA HB . 6910 1 484 . 1 1 49 49 ALA HB2 H 1 1.09 0.01 . 1 . . . . 49 ALA HB . 6910 1 485 . 1 1 49 49 ALA HB3 H 1 1.09 0.01 . 1 . . . . 49 ALA HB . 6910 1 486 . 1 1 49 49 ALA CA C 13 51.0 0.2 . 1 . . . . 49 ALA CA . 6910 1 487 . 1 1 49 49 ALA CB C 13 25.5 0.2 . 1 . . . . 49 ALA CB . 6910 1 488 . 1 1 49 49 ALA N N 15 123.1 0.2 . 1 . . . . 49 ALA N . 6910 1 489 . 1 1 50 50 TYR H H 1 8.80 0.01 . 1 . . . . 50 TYR HN . 6910 1 490 . 1 1 50 50 TYR HA H 1 5.79 0.01 . 1 . . . . 50 TYR HA . 6910 1 491 . 1 1 50 50 TYR HB2 H 1 2.45 0.01 . 1 . . . . 50 TYR HB2 . 6910 1 492 . 1 1 50 50 TYR HB3 H 1 2.76 0.01 . 1 . . . . 50 TYR HB3 . 6910 1 493 . 1 1 50 50 TYR HD1 H 1 6.46 0.01 . 1 . . . . 50 TYR HD1 . 6910 1 494 . 1 1 50 50 TYR HD2 H 1 6.46 0.01 . 1 . . . . 50 TYR HD2 . 6910 1 495 . 1 1 50 50 TYR HE1 H 1 5.81 0.01 . 1 . . . . 50 TYR HE1 . 6910 1 496 . 1 1 50 50 TYR HE2 H 1 5.81 0.01 . 1 . . . . 50 TYR HE2 . 6910 1 497 . 1 1 50 50 TYR CA C 13 57.0 0.2 . 1 . . . . 50 TYR CA . 6910 1 498 . 1 1 50 50 TYR CB C 13 44.7 0.2 . 1 . . . . 50 TYR CB . 6910 1 499 . 1 1 50 50 TYR CD1 C 13 131.5 0.2 . 1 . . . . 50 TYR CD1 . 6910 1 500 . 1 1 50 50 TYR CE1 C 13 117.2 0.2 . 1 . . . . 50 TYR CE1 . 6910 1 501 . 1 1 50 50 TYR N N 15 115.4 0.2 . 1 . . . . 50 TYR N . 6910 1 502 . 1 1 51 51 TYR H H 1 9.37 0.01 . 1 . . . . 51 TYR HN . 6910 1 503 . 1 1 51 51 TYR HA H 1 5.72 0.01 . 1 . . . . 51 TYR HA . 6910 1 504 . 1 1 51 51 TYR HB2 H 1 3.20 0.01 . 1 . . . . 51 TYR HB2 . 6910 1 505 . 1 1 51 51 TYR HB3 H 1 2.64 0.01 . 1 . . . . 51 TYR HB3 . 6910 1 506 . 1 1 51 51 TYR HE1 H 1 6.20 0.01 . 1 . . . . 51 TYR HE1 . 6910 1 507 . 1 1 51 51 TYR HE2 H 1 6.20 0.01 . 1 . . . . 51 TYR HE2 . 6910 1 508 . 1 1 51 51 TYR CA C 13 55.8 0.2 . 1 . . . . 51 TYR CA . 6910 1 509 . 1 1 51 51 TYR CB C 13 43.2 0.2 . 1 . . . . 51 TYR CB . 6910 1 510 . 1 1 51 51 TYR CE1 C 13 118.2 0.2 . 1 . . . . 51 TYR CE1 . 6910 1 511 . 1 1 51 51 TYR N N 15 120.7 0.2 . 1 . . . . 51 TYR N . 6910 1 512 . 1 1 52 52 ASN H H 1 7.65 0.01 . 1 . . . . 52 ASN HN . 6910 1 513 . 1 1 52 52 ASN HA H 1 4.63 0.01 . 1 . . . . 52 ASN HA . 6910 1 514 . 1 1 52 52 ASN HB2 H 1 3.57 0.01 . 1 . . . . 52 ASN HB2 . 6910 1 515 . 1 1 52 52 ASN HB3 H 1 2.07 0.01 . 1 . . . . 52 ASN HB3 . 6910 1 516 . 1 1 52 52 ASN HD21 H 1 7.51 0.01 . 2 . . . . 52 ASN HD21 . 6910 1 517 . 1 1 52 52 ASN HD22 H 1 7.27 0.01 . 2 . . . . 52 ASN HD22 . 6910 1 518 . 1 1 52 52 ASN CA C 13 51.1 0.2 . 1 . . . . 52 ASN CA . 6910 1 519 . 1 1 52 52 ASN CB C 13 39.2 0.2 . 1 . . . . 52 ASN CB . 6910 1 520 . 1 1 52 52 ASN N N 15 127.5 0.2 . 1 . . . . 52 ASN N . 6910 1 521 . 1 1 52 52 ASN ND2 N 15 111.8 0.2 . 1 . . . . 52 ASN ND2 . 6910 1 522 . 1 1 53 53 ASP H H 1 8.68 0.01 . 1 . . . . 53 ASP HN . 6910 1 523 . 1 1 53 53 ASP HA H 1 4.93 0.01 . 1 . . . . 53 ASP HA . 6910 1 524 . 1 1 53 53 ASP HB2 H 1 3.14 0.01 . 2 . . . . 53 ASP HB2 . 6910 1 525 . 1 1 53 53 ASP HB3 H 1 2.89 0.01 . 2 . . . . 53 ASP HB3 . 6910 1 526 . 1 1 53 53 ASP CA C 13 53.3 0.2 . 1 . . . . 53 ASP CA . 6910 1 527 . 1 1 53 53 ASP CB C 13 45.6 0.2 . 1 . . . . 53 ASP CB . 6910 1 528 . 1 1 53 53 ASP N N 15 123.9 0.2 . 1 . . . . 53 ASP N . 6910 1 529 . 1 1 54 54 THR H H 1 8.41 0.01 . 1 . . . . 54 THR HN . 6910 1 530 . 1 1 54 54 THR HA H 1 4.94 0.01 . 1 . . . . 54 THR HA . 6910 1 531 . 1 1 54 54 THR HB H 1 4.65 0.01 . 1 . . . . 54 THR HB . 6910 1 532 . 1 1 54 54 THR HG21 H 1 1.35 0.01 . 1 . . . . 54 THR HG2 . 6910 1 533 . 1 1 54 54 THR HG22 H 1 1.35 0.01 . 1 . . . . 54 THR HG2 . 6910 1 534 . 1 1 54 54 THR HG23 H 1 1.35 0.01 . 1 . . . . 54 THR HG2 . 6910 1 535 . 1 1 54 54 THR CA C 13 60.3 0.2 . 1 . . . . 54 THR CA . 6910 1 536 . 1 1 54 54 THR CB C 13 71.0 0.2 . 1 . . . . 54 THR CB . 6910 1 537 . 1 1 54 54 THR CG2 C 13 24.1 0.2 . 1 . . . . 54 THR CG2 . 6910 1 538 . 1 1 54 54 THR N N 15 113.1 0.2 . 1 . . . . 54 THR N . 6910 1 539 . 1 1 55 55 THR H H 1 8.19 0.01 . 1 . . . . 55 THR HN . 6910 1 540 . 1 1 55 55 THR HA H 1 4.58 0.01 . 1 . . . . 55 THR HA . 6910 1 541 . 1 1 55 55 THR HB H 1 4.37 0.01 . 1 . . . . 55 THR HB . 6910 1 542 . 1 1 55 55 THR HG21 H 1 1.12 0.01 . 1 . . . . 55 THR HG2 . 6910 1 543 . 1 1 55 55 THR HG22 H 1 1.12 0.01 . 1 . . . . 55 THR HG2 . 6910 1 544 . 1 1 55 55 THR HG23 H 1 1.12 0.01 . 1 . . . . 55 THR HG2 . 6910 1 545 . 1 1 55 55 THR CA C 13 61.6 0.2 . 1 . . . . 55 THR CA . 6910 1 546 . 1 1 55 55 THR CB C 13 69.6 0.2 . 1 . . . . 55 THR CB . 6910 1 547 . 1 1 55 55 THR CG2 C 13 21.6 0.2 . 1 . . . . 55 THR CG2 . 6910 1 548 . 1 1 55 55 THR N N 15 102.72 0.2 . 1 . . . . 55 THR N . 6910 1 549 . 1 1 56 56 GLN H H 1 7.85 0.01 . 1 . . . . 56 GLN HN . 6910 1 550 . 1 1 56 56 GLN HA H 1 4.46 0.01 . 1 . . . . 56 GLN HA . 6910 1 551 . 1 1 56 56 GLN HB3 H 1 1.62 0.01 . 2 . . . . 56 GLN HB3 . 6910 1 552 . 1 1 56 56 GLN HG2 H 1 1.64 0.01 . 2 . . . . 56 GLN HG2 . 6910 1 553 . 1 1 56 56 GLN HG3 H 1 1.94 0.01 . 2 . . . . 56 GLN HG3 . 6910 1 554 . 1 1 56 56 GLN HE21 H 1 7.28 0.01 . 2 . . . . 56 GLN HE21 . 6910 1 555 . 1 1 56 56 GLN HE22 H 1 6.83 0.01 . 2 . . . . 56 GLN HE22 . 6910 1 556 . 1 1 56 56 GLN CA C 13 55.5 0.2 . 1 . . . . 56 GLN CA . 6910 1 557 . 1 1 56 56 GLN CB C 13 30.6 0.2 . 1 . . . . 56 GLN CB . 6910 1 558 . 1 1 56 56 GLN CG C 13 32.9 0.2 . 1 . . . . 56 GLN CG . 6910 1 559 . 1 1 56 56 GLN N N 15 118.0 0.2 . 1 . . . . 56 GLN N . 6910 1 560 . 1 1 56 56 GLN NE2 N 15 112.2 0.2 . 1 . . . . 56 GLN NE2 . 6910 1 561 . 1 1 57 57 TYR H H 1 7.37 0.01 . 1 . . . . 57 TYR HN . 6910 1 562 . 1 1 57 57 TYR HA H 1 5.42 0.01 . 1 . . . . 57 TYR HA . 6910 1 563 . 1 1 57 57 TYR HB3 H 1 2.71 0.01 . 2 . . . . 57 TYR HB3 . 6910 1 564 . 1 1 57 57 TYR HD1 H 1 6.81 0.01 . 1 . . . . 57 TYR HD1 . 6910 1 565 . 1 1 57 57 TYR HD2 H 1 6.81 0.01 . 1 . . . . 57 TYR HD2 . 6910 1 566 . 1 1 57 57 TYR HE1 H 1 6.68 0.01 . 1 . . . . 57 TYR HE1 . 6910 1 567 . 1 1 57 57 TYR HE2 H 1 6.68 0.01 . 1 . . . . 57 TYR HE2 . 6910 1 568 . 1 1 57 57 TYR CA C 13 55.8 0.2 . 1 . . . . 57 TYR CA . 6910 1 569 . 1 1 57 57 TYR CB C 13 40.3 0.2 . 1 . . . . 57 TYR CB . 6910 1 570 . 1 1 57 57 TYR CD1 C 13 132.8 0.2 . 1 . . . . 57 TYR CD1 . 6910 1 571 . 1 1 57 57 TYR CE1 C 13 117.8 0.2 . 1 . . . . 57 TYR CE1 . 6910 1 572 . 1 1 57 57 TYR N N 15 115.4 0.2 . 1 . . . . 57 TYR N . 6910 1 573 . 1 1 58 58 GLU H H 1 9.42 0.01 . 1 . . . . 58 GLU HN . 6910 1 574 . 1 1 58 58 GLU HA H 1 4.46 0.01 . 1 . . . . 58 GLU HA . 6910 1 575 . 1 1 58 58 GLU HB2 H 1 1.72 0.01 . 2 . . . . 58 GLU HB2 . 6910 1 576 . 1 1 58 58 GLU HB3 H 1 1.98 0.01 . 2 . . . . 58 GLU HB3 . 6910 1 577 . 1 1 58 58 GLU HG3 H 1 2.32 0.01 . 2 . . . . 58 GLU HG3 . 6910 1 578 . 1 1 58 58 GLU CA C 13 53.9 0.2 . 1 . . . . 58 GLU CA . 6910 1 579 . 1 1 58 58 GLU CB C 13 32.5 0.2 . 1 . . . . 58 GLU CB . 6910 1 580 . 1 1 58 58 GLU CG C 13 36.8 0.2 . 1 . . . . 58 GLU CG . 6910 1 581 . 1 1 58 58 GLU N N 15 119.1 0.2 . 1 . . . . 58 GLU N . 6910 1 582 . 1 1 59 59 MET H H 1 8.26 0.01 . 1 . . . . 59 MET HN . 6910 1 583 . 1 1 59 59 MET HA H 1 5.34 0.01 . 1 . . . . 59 MET HA . 6910 1 584 . 1 1 59 59 MET HB2 H 1 2.20 0.01 . 1 . . . . 59 MET HB2 . 6910 1 585 . 1 1 59 59 MET HB3 H 1 1.52 0.01 . 1 . . . . 59 MET HB3 . 6910 1 586 . 1 1 59 59 MET HG2 H 1 2.68 0.01 . 2 . . . . 59 MET HG2 . 6910 1 587 . 1 1 59 59 MET HG3 H 1 2.31 0.01 . 2 . . . . 59 MET HG3 . 6910 1 588 . 1 1 59 59 MET HE1 H 1 1.61 0.01 . 1 . . . . 59 MET HE . 6910 1 589 . 1 1 59 59 MET HE2 H 1 1.61 0.01 . 1 . . . . 59 MET HE . 6910 1 590 . 1 1 59 59 MET HE3 H 1 1.61 0.01 . 1 . . . . 59 MET HE . 6910 1 591 . 1 1 59 59 MET CA C 13 52.8 0.2 . 1 . . . . 59 MET CA . 6910 1 592 . 1 1 59 59 MET CB C 13 33.1 0.2 . 1 . . . . 59 MET CB . 6910 1 593 . 1 1 59 59 MET CG C 13 33.2 0.2 . 1 . . . . 59 MET CG . 6910 1 594 . 1 1 59 59 MET CE C 13 19.3 0.2 . 1 . . . . 59 MET CE . 6910 1 595 . 1 1 59 59 MET N N 15 122.3 0.2 . 1 . . . . 59 MET N . 6910 1 596 . 1 1 60 60 HIS H H 1 9.70 0.01 . 1 . . . . 60 HIS HN . 6910 1 597 . 1 1 60 60 HIS HA H 1 4.72 0.01 . 1 . . . . 60 HIS HA . 6910 1 598 . 1 1 60 60 HIS HB3 H 1 3.18 0.01 . 2 . . . . 60 HIS HB3 . 6910 1 599 . 1 1 60 60 HIS HD2 H 1 6.93 0.01 . 1 . . . . 60 HIS HD2 . 6910 1 600 . 1 1 60 60 HIS HE1 H 1 8.20 0.01 . 1 . . . . 60 HIS HE1 . 6910 1 601 . 1 1 60 60 HIS CA C 13 56.0 0.2 . 1 . . . . 60 HIS CA . 6910 1 602 . 1 1 60 60 HIS CB C 13 30.2 0.2 . 1 . . . . 60 HIS CB . 6910 1 603 . 1 1 60 60 HIS CD2 C 13 116.5 0.2 . 1 . . . . 60 HIS CD2 . 6910 1 604 . 1 1 60 60 HIS CE1 C 13 136.9 0.2 . 1 . . . . 60 HIS CE1 . 6910 1 605 . 1 1 60 60 HIS N N 15 127.1 0.2 . 1 . . . . 60 HIS N . 6910 1 606 . 1 1 61 61 VAL H H 1 8.67 0.01 . 1 . . . . 61 VAL HN . 6910 1 607 . 1 1 61 61 VAL HA H 1 4.14 0.01 . 1 . . . . 61 VAL HA . 6910 1 608 . 1 1 61 61 VAL HB H 1 1.68 0.01 . 1 . . . . 61 VAL HB . 6910 1 609 . 1 1 61 61 VAL HG11 H 1 0.02 0.01 . 1 . . . . 61 VAL HG1 . 6910 1 610 . 1 1 61 61 VAL HG12 H 1 0.02 0.01 . 1 . . . . 61 VAL HG1 . 6910 1 611 . 1 1 61 61 VAL HG13 H 1 0.02 0.01 . 1 . . . . 61 VAL HG1 . 6910 1 612 . 1 1 61 61 VAL HG21 H 1 0.12 0.01 . 1 . . . . 61 VAL HG2 . 6910 1 613 . 1 1 61 61 VAL HG22 H 1 0.12 0.01 . 1 . . . . 61 VAL HG2 . 6910 1 614 . 1 1 61 61 VAL HG23 H 1 0.12 0.01 . 1 . . . . 61 VAL HG2 . 6910 1 615 . 1 1 61 61 VAL CA C 13 62.5 0.2 . 1 . . . . 61 VAL CA . 6910 1 616 . 1 1 61 61 VAL CB C 13 33.5 0.2 . 1 . . . . 61 VAL CB . 6910 1 617 . 1 1 61 61 VAL CG1 C 13 21.1 0.2 . 1 . . . . 61 VAL CG1 . 6910 1 618 . 1 1 61 61 VAL CG2 C 13 20.7 0.2 . 1 . . . . 61 VAL CG2 . 6910 1 619 . 1 1 61 61 VAL N N 15 126.9 0.2 . 1 . . . . 61 VAL N . 6910 1 620 . 1 1 62 62 LEU H H 1 8.59 0.01 . 1 . . . . 62 LEU HN . 6910 1 621 . 1 1 62 62 LEU HA H 1 5.33 0.01 . 1 . . . . 62 LEU HA . 6910 1 622 . 1 1 62 62 LEU HB2 H 1 1.56 0.01 . 1 . . . . 62 LEU HB2 . 6910 1 623 . 1 1 62 62 LEU HB3 H 1 1.84 0.01 . 1 . . . . 62 LEU HB3 . 6910 1 624 . 1 1 62 62 LEU HG H 1 1.50 0.01 . 1 . . . . 62 LEU HG . 6910 1 625 . 1 1 62 62 LEU HD11 H 1 0.91 0.01 . 2 . . . . 62 LEU HD1 . 6910 1 626 . 1 1 62 62 LEU HD12 H 1 0.91 0.01 . 2 . . . . 62 LEU HD1 . 6910 1 627 . 1 1 62 62 LEU HD13 H 1 0.91 0.01 . 2 . . . . 62 LEU HD1 . 6910 1 628 . 1 1 62 62 LEU HD21 H 1 0.86 0.01 . 2 . . . . 62 LEU HD2 . 6910 1 629 . 1 1 62 62 LEU HD22 H 1 0.86 0.01 . 2 . . . . 62 LEU HD2 . 6910 1 630 . 1 1 62 62 LEU HD23 H 1 0.86 0.01 . 2 . . . . 62 LEU HD2 . 6910 1 631 . 1 1 62 62 LEU CA C 13 54.9 0.2 . 1 . . . . 62 LEU CA . 6910 1 632 . 1 1 62 62 LEU CB C 13 45.4 0.2 . 1 . . . . 62 LEU CB . 6910 1 633 . 1 1 62 62 LEU CG C 13 27.7 0.2 . 1 . . . . 62 LEU CG . 6910 1 634 . 1 1 62 62 LEU CD1 C 13 25.7 0.2 . 1 . . . . 62 LEU CD1 . 6910 1 635 . 1 1 62 62 LEU N N 15 130.8 0.2 . 1 . . . . 62 LEU N . 6910 1 636 . 1 1 63 63 VAL H H 1 9.76 0.01 . 1 . . . . 63 VAL HN . 6910 1 637 . 1 1 63 63 VAL HA H 1 4.83 0.01 . 1 . . . . 63 VAL HA . 6910 1 638 . 1 1 63 63 VAL HB H 1 1.94 0.01 . 1 . . . . 63 VAL HB . 6910 1 639 . 1 1 63 63 VAL HG11 H 1 0.22 0.01 . 1 . . . . 63 VAL HG1 . 6910 1 640 . 1 1 63 63 VAL HG12 H 1 0.22 0.01 . 1 . . . . 63 VAL HG1 . 6910 1 641 . 1 1 63 63 VAL HG13 H 1 0.22 0.01 . 1 . . . . 63 VAL HG1 . 6910 1 642 . 1 1 63 63 VAL HG21 H 1 1.05 0.01 . 1 . . . . 63 VAL HG2 . 6910 1 643 . 1 1 63 63 VAL HG22 H 1 1.05 0.01 . 1 . . . . 63 VAL HG2 . 6910 1 644 . 1 1 63 63 VAL HG23 H 1 1.05 0.01 . 1 . . . . 63 VAL HG2 . 6910 1 645 . 1 1 63 63 VAL CA C 13 61.5 0.2 . 1 . . . . 63 VAL CA . 6910 1 646 . 1 1 63 63 VAL CB C 13 35.1 0.2 . 1 . . . . 63 VAL CB . 6910 1 647 . 1 1 63 63 VAL CG1 C 13 22.8 0.2 . 1 . . . . 63 VAL CG1 . 6910 1 648 . 1 1 63 63 VAL CG2 C 13 22.2 0.2 . 1 . . . . 63 VAL CG2 . 6910 1 649 . 1 1 63 63 VAL N N 15 128.9 0.2 . 1 . . . . 63 VAL N . 6910 1 650 . 1 1 64 64 THR H H 1 8.78 0.01 . 1 . . . . 64 THR HN . 6910 1 651 . 1 1 64 64 THR HA H 1 5.16 0.01 . 1 . . . . 64 THR HA . 6910 1 652 . 1 1 64 64 THR HB H 1 3.93 0.01 . 1 . . . . 64 THR HB . 6910 1 653 . 1 1 64 64 THR HG21 H 1 1.12 0.01 . 1 . . . . 64 THR HG2 . 6910 1 654 . 1 1 64 64 THR HG22 H 1 1.12 0.01 . 1 . . . . 64 THR HG2 . 6910 1 655 . 1 1 64 64 THR HG23 H 1 1.12 0.01 . 1 . . . . 64 THR HG2 . 6910 1 656 . 1 1 64 64 THR CA C 13 61.3 0.2 . 1 . . . . 64 THR CA . 6910 1 657 . 1 1 64 64 THR CB C 13 69.4 0.2 . 1 . . . . 64 THR CB . 6910 1 658 . 1 1 64 64 THR CG2 C 13 21.4 0.2 . 1 . . . . 64 THR CG2 . 6910 1 659 . 1 1 64 64 THR N N 15 123.0 0.2 . 1 . . . . 64 THR N . 6910 1 660 . 1 1 65 65 PHE H H 1 10.37 0.01 . 1 . . . . 65 PHE HN . 6910 1 661 . 1 1 65 65 PHE HA H 1 4.91 0.01 . 1 . . . . 65 PHE HA . 6910 1 662 . 1 1 65 65 PHE HB2 H 1 3.10 0.01 . 1 . . . . 65 PHE HB2 . 6910 1 663 . 1 1 65 65 PHE HB3 H 1 3.70 0.01 . 1 . . . . 65 PHE HB3 . 6910 1 664 . 1 1 65 65 PHE HD1 H 1 7.15 0.01 . 1 . . . . 65 PHE HD1 . 6910 1 665 . 1 1 65 65 PHE HD2 H 1 7.15 0.01 . 1 . . . . 65 PHE HD2 . 6910 1 666 . 1 1 65 65 PHE HE1 H 1 6.60 0.01 . 1 . . . . 65 PHE HE1 . 6910 1 667 . 1 1 65 65 PHE HE2 H 1 6.60 0.01 . 1 . . . . 65 PHE HE2 . 6910 1 668 . 1 1 65 65 PHE HZ H 1 6.17 0.01 . 1 . . . . 65 PHE HZ . 6910 1 669 . 1 1 65 65 PHE CA C 13 57.9 0.2 . 1 . . . . 65 PHE CA . 6910 1 670 . 1 1 65 65 PHE CB C 13 41.2 0.2 . 1 . . . . 65 PHE CB . 6910 1 671 . 1 1 65 65 PHE CD1 C 13 132.2 0.2 . 1 . . . . 65 PHE CD1 . 6910 1 672 . 1 1 65 65 PHE CE1 C 13 130.4 0.2 . 1 . . . . 65 PHE CE1 . 6910 1 673 . 1 1 65 65 PHE CZ C 13 129.3 0.2 . 1 . . . . 65 PHE CZ . 6910 1 674 . 1 1 65 65 PHE N N 15 129.3 0.2 . 1 . . . . 65 PHE N . 6910 1 675 . 1 1 66 66 ASN H H 1 7.88 0.01 . 1 . . . . 66 ASN HN . 6910 1 676 . 1 1 66 66 ASN HA H 1 4.72 0.01 . 1 . . . . 66 ASN HA . 6910 1 677 . 1 1 66 66 ASN HB3 H 1 3.08 0.01 . 2 . . . . 66 ASN HB3 . 6910 1 678 . 1 1 66 66 ASN HD21 H 1 7.99 0.01 . 2 . . . . 66 ASN HD21 . 6910 1 679 . 1 1 66 66 ASN HD22 H 1 7.08 0.01 . 2 . . . . 66 ASN HD22 . 6910 1 680 . 1 1 66 66 ASN CA C 13 53.7 0.2 . 1 . . . . 66 ASN CA . 6910 1 681 . 1 1 66 66 ASN CB C 13 39.0 0.2 . 1 . . . . 66 ASN CB . 6910 1 682 . 1 1 66 66 ASN N N 15 119.6 0.2 . 1 . . . . 66 ASN N . 6910 1 683 . 1 1 66 66 ASN ND2 N 15 112.4 0.2 . 1 . . . . 66 ASN ND2 . 6910 1 684 . 1 1 67 67 GLU H H 1 8.98 0.01 . 1 . . . . 67 GLU HN . 6910 1 685 . 1 1 67 67 GLU HA H 1 4.41 0.01 . 1 . . . . 67 GLU HA . 6910 1 686 . 1 1 67 67 GLU HB2 H 1 2.01 0.01 . 2 . . . . 67 GLU HB2 . 6910 1 687 . 1 1 67 67 GLU HB3 H 1 2.14 0.01 . 2 . . . . 67 GLU HB3 . 6910 1 688 . 1 1 67 67 GLU HG3 H 1 2.39 0.01 . 2 . . . . 67 GLU HG3 . 6910 1 689 . 1 1 67 67 GLU CA C 13 58.9 0.2 . 1 . . . . 67 GLU CA . 6910 1 690 . 1 1 67 67 GLU CB C 13 30.3 0.2 . 1 . . . . 67 GLU CB . 6910 1 691 . 1 1 67 67 GLU CG C 13 35.4 0.2 . 1 . . . . 67 GLU CG . 6910 1 692 . 1 1 67 67 GLU N N 15 118.7 0.2 . 1 . . . . 67 GLU N . 6910 1 693 . 1 1 68 68 ASP H H 1 8.31 0.01 . 1 . . . . 68 ASP HN . 6910 1 694 . 1 1 68 68 ASP HA H 1 4.85 0.01 . 1 . . . . 68 ASP HA . 6910 1 695 . 1 1 68 68 ASP HB2 H 1 2.90 0.01 . 2 . . . . 68 ASP HB2 . 6910 1 696 . 1 1 68 68 ASP HB3 H 1 2.77 0.01 . 2 . . . . 68 ASP HB3 . 6910 1 697 . 1 1 68 68 ASP CA C 13 53.3 0.2 . 1 . . . . 68 ASP CA . 6910 1 698 . 1 1 68 68 ASP CB C 13 39.3 0.2 . 1 . . . . 68 ASP CB . 6910 1 699 . 1 1 68 68 ASP N N 15 118.6 0.2 . 1 . . . . 68 ASP N . 6910 1 700 . 1 1 69 69 CYS H H 1 8.00 0.01 . 1 . . . . 69 CYS HN . 6910 1 701 . 1 1 69 69 CYS HA H 1 4.55 0.01 . 1 . . . . 69 CYS HA . 6910 1 702 . 1 1 69 69 CYS HB2 H 1 2.76 0.01 . 2 . . . . 69 CYS HB2 . 6910 1 703 . 1 1 69 69 CYS HB3 H 1 3.20 0.01 . 2 . . . . 69 CYS HB3 . 6910 1 704 . 1 1 69 69 CYS CA C 13 57.0 0.2 . 1 . . . . 69 CYS CA . 6910 1 705 . 1 1 69 69 CYS CB C 13 29.7 0.2 . 1 . . . . 69 CYS CB . 6910 1 706 . 1 1 69 69 CYS N N 15 116.6 0.2 . 1 . . . . 69 CYS N . 6910 1 707 . 1 1 70 70 ASP H H 1 8.44 0.01 . 1 . . . . 70 ASP HN . 6910 1 708 . 1 1 70 70 ASP HA H 1 4.64 0.01 . 1 . . . . 70 ASP HA . 6910 1 709 . 1 1 70 70 ASP HB2 H 1 2.52 0.01 . 2 . . . . 70 ASP HB2 . 6910 1 710 . 1 1 70 70 ASP HB3 H 1 2.67 0.01 . 2 . . . . 70 ASP HB3 . 6910 1 711 . 1 1 70 70 ASP CA C 13 53.5 0.2 . 1 . . . . 70 ASP CA . 6910 1 712 . 1 1 70 70 ASP CB C 13 41.5 0.2 . 1 . . . . 70 ASP CB . 6910 1 713 . 1 1 70 70 ASP N N 15 121.1 0.2 . 1 . . . . 70 ASP N . 6910 1 714 . 1 1 71 71 ILE H H 1 7.78 0.01 . 1 . . . . 71 ILE HN . 6910 1 715 . 1 1 71 71 ILE HA H 1 5.09 0.01 . 1 . . . . 71 ILE HA . 6910 1 716 . 1 1 71 71 ILE HB H 1 0.88 0.01 . 1 . . . . 71 ILE HB . 6910 1 717 . 1 1 71 71 ILE HG12 H 1 0.38 0.01 . 2 . . . . 71 ILE HG12 . 6910 1 718 . 1 1 71 71 ILE HG13 H 1 0.02 0.01 . 2 . . . . 71 ILE HG13 . 6910 1 719 . 1 1 71 71 ILE HG21 H 1 -0.10 0.01 . 1 . . . . 71 ILE HG2 . 6910 1 720 . 1 1 71 71 ILE HG22 H 1 -0.10 0.01 . 1 . . . . 71 ILE HG2 . 6910 1 721 . 1 1 71 71 ILE HG23 H 1 -0.10 0.01 . 1 . . . . 71 ILE HG2 . 6910 1 722 . 1 1 71 71 ILE HD11 H 1 -0.54 0.01 . 1 . . . . 71 ILE HD1 . 6910 1 723 . 1 1 71 71 ILE HD12 H 1 -0.54 0.01 . 1 . . . . 71 ILE HD1 . 6910 1 724 . 1 1 71 71 ILE HD13 H 1 -0.54 0.01 . 1 . . . . 71 ILE HD1 . 6910 1 725 . 1 1 71 71 ILE CA C 13 58.5 0.2 . 1 . . . . 71 ILE CA . 6910 1 726 . 1 1 71 71 ILE CB C 13 43.1 0.2 . 1 . . . . 71 ILE CB . 6910 1 727 . 1 1 71 71 ILE CG1 C 13 23.9 0.2 . 1 . . . . 71 ILE CG1 . 6910 1 728 . 1 1 71 71 ILE CG2 C 13 18.5 0.2 . 1 . . . . 71 ILE CG2 . 6910 1 729 . 1 1 71 71 ILE CD1 C 13 13.7 0.2 . 1 . . . . 71 ILE CD1 . 6910 1 730 . 1 1 71 71 ILE N N 15 116.4 0.2 . 1 . . . . 71 ILE N . 6910 1 731 . 1 1 72 72 LYS H H 1 8.27 0.01 . 1 . . . . 72 LYS HN . 6910 1 732 . 1 1 72 72 LYS HA H 1 4.31 0.01 . 1 . . . . 72 LYS HA . 6910 1 733 . 1 1 72 72 LYS HB3 H 1 1.65 0.01 . 2 . . . . 72 LYS HB3 . 6910 1 734 . 1 1 72 72 LYS HG2 H 1 1.34 0.01 . 2 . . . . 72 LYS HG2 . 6910 1 735 . 1 1 72 72 LYS HG3 H 1 1.19 0.01 . 2 . . . . 72 LYS HG3 . 6910 1 736 . 1 1 72 72 LYS HD3 H 1 1.58 0.01 . 2 . . . . 72 LYS HD3 . 6910 1 737 . 1 1 72 72 LYS HE3 H 1 2.84 0.01 . 2 . . . . 72 LYS HE3 . 6910 1 738 . 1 1 72 72 LYS CA C 13 53.7 0.2 . 1 . . . . 72 LYS CA . 6910 1 739 . 1 1 72 72 LYS CB C 13 35.9 0.2 . 1 . . . . 72 LYS CB . 6910 1 740 . 1 1 72 72 LYS CG C 13 23.9 0.2 . 1 . . . . 72 LYS CG . 6910 1 741 . 1 1 72 72 LYS CD C 13 29.2 0.2 . 1 . . . . 72 LYS CD . 6910 1 742 . 1 1 72 72 LYS CE C 13 42.1 0.2 . 1 . . . . 72 LYS CE . 6910 1 743 . 1 1 72 72 LYS N N 15 118.0 0.2 . 1 . . . . 72 LYS N . 6910 1 744 . 1 1 73 73 ALA H H 1 8.48 0.01 . 1 . . . . 73 ALA HN . 6910 1 745 . 1 1 73 73 ALA HA H 1 4.21 0.01 . 1 . . . . 73 ALA HA . 6910 1 746 . 1 1 73 73 ALA HB1 H 1 1.24 0.01 . 1 . . . . 73 ALA HB . 6910 1 747 . 1 1 73 73 ALA HB2 H 1 1.24 0.01 . 1 . . . . 73 ALA HB . 6910 1 748 . 1 1 73 73 ALA HB3 H 1 1.24 0.01 . 1 . . . . 73 ALA HB . 6910 1 749 . 1 1 73 73 ALA CA C 13 51.8 0.2 . 1 . . . . 73 ALA CA . 6910 1 750 . 1 1 73 73 ALA CB C 13 20.0 0.2 . 1 . . . . 73 ALA CB . 6910 1 751 . 1 1 73 73 ALA N N 15 123.8 0.2 . 1 . . . . 73 ALA N . 6910 1 752 . 1 1 74 74 LEU H H 1 7.84 0.01 . 1 . . . . 74 LEU HN . 6910 1 753 . 1 1 74 74 LEU HA H 1 4.63 0.01 . 1 . . . . 74 LEU HA . 6910 1 754 . 1 1 74 74 LEU HB2 H 1 1.22 0.01 . 1 . . . . 74 LEU HB2 . 6910 1 755 . 1 1 74 74 LEU HB3 H 1 1.31 0.01 . 1 . . . . 74 LEU HB3 . 6910 1 756 . 1 1 74 74 LEU HG H 1 1.26 0.01 . 1 . . . . 74 LEU HG . 6910 1 757 . 1 1 74 74 LEU HD11 H 1 0.81 0.01 . 2 . . . . 74 LEU HD1 . 6910 1 758 . 1 1 74 74 LEU HD12 H 1 0.81 0.01 . 2 . . . . 74 LEU HD1 . 6910 1 759 . 1 1 74 74 LEU HD13 H 1 0.81 0.01 . 2 . . . . 74 LEU HD1 . 6910 1 760 . 1 1 74 74 LEU HD21 H 1 0.82 0.01 . 2 . . . . 74 LEU HD2 . 6910 1 761 . 1 1 74 74 LEU HD22 H 1 0.82 0.01 . 2 . . . . 74 LEU HD2 . 6910 1 762 . 1 1 74 74 LEU HD23 H 1 0.82 0.01 . 2 . . . . 74 LEU HD2 . 6910 1 763 . 1 1 74 74 LEU CA C 13 52.1 0.2 . 1 . . . . 74 LEU CA . 6910 1 764 . 1 1 74 74 LEU CB C 13 45.5 0.2 . 1 . . . . 74 LEU CB . 6910 1 765 . 1 1 74 74 LEU CG C 13 26.9 0.2 . 1 . . . . 74 LEU CG . 6910 1 766 . 1 1 74 74 LEU CD1 C 13 26.7 0.2 . 1 . . . . 74 LEU CD1 . 6910 1 767 . 1 1 74 74 LEU CD2 C 13 21.7 0.2 . 1 . . . . 74 LEU CD2 . 6910 1 768 . 1 1 74 74 LEU N N 15 119.8 0.2 . 1 . . . . 74 LEU N . 6910 1 769 . 1 1 75 75 GLY H H 1 8.40 0.01 . 1 . . . . 75 GLY HN . 6910 1 770 . 1 1 75 75 GLY HA2 H 1 3.71 0.01 . 2 . . . . 75 GLY HA1 . 6910 1 771 . 1 1 75 75 GLY HA3 H 1 4.29 0.01 . 2 . . . . 75 GLY HA2 . 6910 1 772 . 1 1 75 75 GLY CA C 13 47.2 0.2 . 1 . . . . 75 GLY CA . 6910 1 773 . 1 1 75 75 GLY N N 15 106.0 0.2 . 1 . . . . 75 GLY N . 6910 1 774 . 1 1 76 76 LYS H H 1 10.61 0.01 . 1 . . . . 76 LYS HN . 6910 1 775 . 1 1 76 76 LYS HA H 1 4.55 0.01 . 1 . . . . 76 LYS HA . 6910 1 776 . 1 1 76 76 LYS HB2 H 1 1.90 0.01 . 2 . . . . 76 LYS HB2 . 6910 1 777 . 1 1 76 76 LYS HB3 H 1 2.04 0.01 . 2 . . . . 76 LYS HB3 . 6910 1 778 . 1 1 76 76 LYS HG2 H 1 1.52 0.01 . 2 . . . . 76 LYS HG2 . 6910 1 779 . 1 1 76 76 LYS HG3 H 1 1.58 0.01 . 2 . . . . 76 LYS HG3 . 6910 1 780 . 1 1 76 76 LYS HD3 H 1 1.84 0.01 . 2 . . . . 76 LYS HD3 . 6910 1 781 . 1 1 76 76 LYS HE2 H 1 3.10 0.01 . 2 . . . . 76 LYS HE2 . 6910 1 782 . 1 1 76 76 LYS HE3 H 1 3.19 0.01 . 2 . . . . 76 LYS HE3 . 6910 1 783 . 1 1 76 76 LYS CA C 13 55.5 0.2 . 1 . . . . 76 LYS CA . 6910 1 784 . 1 1 76 76 LYS CB C 13 33.2 0.2 . 1 . . . . 76 LYS CB . 6910 1 785 . 1 1 76 76 LYS CG C 13 25.0 0.2 . 1 . . . . 76 LYS CG . 6910 1 786 . 1 1 76 76 LYS CD C 13 29.4 0.2 . 1 . . . . 76 LYS CD . 6910 1 787 . 1 1 76 76 LYS CE C 13 42.9 0.2 . 1 . . . . 76 LYS CE . 6910 1 788 . 1 1 76 76 LYS N N 15 129.4 0.2 . 1 . . . . 76 LYS N . 6910 1 789 . 1 1 77 77 THR H H 1 8.49 0.01 . 1 . . . . 77 THR HN . 6910 1 790 . 1 1 77 77 THR HA H 1 4.15 0.01 . 1 . . . . 77 THR HA . 6910 1 791 . 1 1 77 77 THR HB H 1 4.43 0.01 . 1 . . . . 77 THR HB . 6910 1 792 . 1 1 77 77 THR HG21 H 1 0.75 0.01 . 1 . . . . 77 THR HG2 . 6910 1 793 . 1 1 77 77 THR HG22 H 1 0.75 0.01 . 1 . . . . 77 THR HG2 . 6910 1 794 . 1 1 77 77 THR HG23 H 1 0.75 0.01 . 1 . . . . 77 THR HG2 . 6910 1 795 . 1 1 77 77 THR CA C 13 65.4 0.2 . 1 . . . . 77 THR CA . 6910 1 796 . 1 1 77 77 THR CB C 13 69.0 0.2 . 1 . . . . 77 THR CB . 6910 1 797 . 1 1 77 77 THR CG2 C 13 21.8 0.2 . 1 . . . . 77 THR CG2 . 6910 1 798 . 1 1 77 77 THR N N 15 124.1 0.2 . 1 . . . . 77 THR N . 6910 1 799 . 1 1 78 78 LYS H H 1 8.81 0.01 . 1 . . . . 78 LYS HN . 6910 1 800 . 1 1 78 78 LYS HA H 1 4.57 0.01 . 1 . . . . 78 LYS HA . 6910 1 801 . 1 1 78 78 LYS HB2 H 1 1.85 0.01 . 2 . . . . 78 LYS HB2 . 6910 1 802 . 1 1 78 78 LYS HB3 H 1 1.93 0.01 . 2 . . . . 78 LYS HB3 . 6910 1 803 . 1 1 78 78 LYS HG2 H 1 1.56 0.01 . 2 . . . . 78 LYS HG2 . 6910 1 804 . 1 1 78 78 LYS HG3 H 1 1.41 0.01 . 2 . . . . 78 LYS HG3 . 6910 1 805 . 1 1 78 78 LYS HD3 H 1 1.72 0.01 . 2 . . . . 78 LYS HD3 . 6910 1 806 . 1 1 78 78 LYS HE3 H 1 3.03 0.01 . 2 . . . . 78 LYS HE3 . 6910 1 807 . 1 1 78 78 LYS CA C 13 55.0 0.2 . 1 . . . . 78 LYS CA . 6910 1 808 . 1 1 78 78 LYS CB C 13 34.1 0.2 . 1 . . . . 78 LYS CB . 6910 1 809 . 1 1 78 78 LYS CG C 13 25.0 0.2 . 1 . . . . 78 LYS CG . 6910 1 810 . 1 1 78 78 LYS CD C 13 29.2 0.2 . 1 . . . . 78 LYS CD . 6910 1 811 . 1 1 78 78 LYS CE C 13 42.1 0.2 . 1 . . . . 78 LYS CE . 6910 1 812 . 1 1 78 78 LYS N N 15 128.3 0.2 . 1 . . . . 78 LYS N . 6910 1 813 . 1 1 79 79 LEU H H 1 8.60 0.01 . 1 . . . . 79 LEU HN . 6910 1 814 . 1 1 79 79 LEU HA H 1 5.54 0.01 . 1 . . . . 79 LEU HA . 6910 1 815 . 1 1 79 79 LEU HB2 H 1 1.05 0.01 . 1 . . . . 79 LEU HB2 . 6910 1 816 . 1 1 79 79 LEU HB3 H 1 1.94 0.01 . 1 . . . . 79 LEU HB3 . 6910 1 817 . 1 1 79 79 LEU HG H 1 1.63 0.01 . 1 . . . . 79 LEU HG . 6910 1 818 . 1 1 79 79 LEU HD11 H 1 0.82 0.01 . 1 . . . . 79 LEU HD1 . 6910 1 819 . 1 1 79 79 LEU HD12 H 1 0.82 0.01 . 1 . . . . 79 LEU HD1 . 6910 1 820 . 1 1 79 79 LEU HD13 H 1 0.82 0.01 . 1 . . . . 79 LEU HD1 . 6910 1 821 . 1 1 79 79 LEU HD21 H 1 0.56 0.01 . 1 . . . . 79 LEU HD2 . 6910 1 822 . 1 1 79 79 LEU HD22 H 1 0.56 0.01 . 1 . . . . 79 LEU HD2 . 6910 1 823 . 1 1 79 79 LEU HD23 H 1 0.56 0.01 . 1 . . . . 79 LEU HD2 . 6910 1 824 . 1 1 79 79 LEU CA C 13 53.7 0.2 . 1 . . . . 79 LEU CA . 6910 1 825 . 1 1 79 79 LEU CB C 13 46.8 0.2 . 1 . . . . 79 LEU CB . 6910 1 826 . 1 1 79 79 LEU CG C 13 27.6 0.2 . 1 . . . . 79 LEU CG . 6910 1 827 . 1 1 79 79 LEU CD1 C 13 24.8 0.2 . 1 . . . . 79 LEU CD1 . 6910 1 828 . 1 1 79 79 LEU CD2 C 13 26.4 0.2 . 1 . . . . 79 LEU CD2 . 6910 1 829 . 1 1 79 79 LEU N N 15 127.0 0.2 . 1 . . . . 79 LEU N . 6910 1 830 . 1 1 80 80 GLU H H 1 9.10 0.01 . 1 . . . . 80 GLU HN . 6910 1 831 . 1 1 80 80 GLU HA H 1 4.83 0.01 . 1 . . . . 80 GLU HA . 6910 1 832 . 1 1 80 80 GLU HB2 H 1 1.91 0.01 . 2 . . . . 80 GLU HB2 . 6910 1 833 . 1 1 80 80 GLU HB3 H 1 2.00 0.01 . 2 . . . . 80 GLU HB3 . 6910 1 834 . 1 1 80 80 GLU HG3 H 1 2.17 0.01 . 2 . . . . 80 GLU HG3 . 6910 1 835 . 1 1 80 80 GLU CA C 13 54.9 0.2 . 1 . . . . 80 GLU CA . 6910 1 836 . 1 1 80 80 GLU CB C 13 34.3 0.2 . 1 . . . . 80 GLU CB . 6910 1 837 . 1 1 80 80 GLU CG C 13 36.3 0.2 . 1 . . . . 80 GLU CG . 6910 1 838 . 1 1 80 80 GLU N N 15 125.9 0.2 . 1 . . . . 80 GLU N . 6910 1 839 . 1 1 81 81 GLN H H 1 9.02 0.01 . 1 . . . . 81 GLN HN . 6910 1 840 . 1 1 81 81 GLN HA H 1 4.04 0.01 . 1 . . . . 81 GLN HA . 6910 1 841 . 1 1 81 81 GLN HB2 H 1 -0.12 0.01 . 1 . . . . 81 GLN HB2 . 6910 1 842 . 1 1 81 81 GLN HB3 H 1 1.37 0.01 . 1 . . . . 81 GLN HB3 . 6910 1 843 . 1 1 81 81 GLN HG2 H 1 1.97 0.01 . 2 . . . . 81 GLN HG2 . 6910 1 844 . 1 1 81 81 GLN HG3 H 1 0.64 0.01 . 2 . . . . 81 GLN HG3 . 6910 1 845 . 1 1 81 81 GLN HE21 H 1 7.32 0.01 . 2 . . . . 81 GLN HE21 . 6910 1 846 . 1 1 81 81 GLN HE22 H 1 6.81 0.01 . 2 . . . . 81 GLN HE22 . 6910 1 847 . 1 1 81 81 GLN CA C 13 55.6 0.2 . 1 . . . . 81 GLN CA . 6910 1 848 . 1 1 81 81 GLN CB C 13 27.4 0.2 . 1 . . . . 81 GLN CB . 6910 1 849 . 1 1 81 81 GLN CG C 13 33.3 0.2 . 1 . . . . 81 GLN CG . 6910 1 850 . 1 1 81 81 GLN N N 15 129.3 0.2 . 1 . . . . 81 GLN N . 6910 1 851 . 1 1 81 81 GLN NE2 N 15 111.9 0.2 . 1 . . . . 81 GLN NE2 . 6910 1 852 . 1 1 82 82 GLN H H 1 9.09 0.01 . 1 . . . . 82 GLN HN . 6910 1 853 . 1 1 82 82 GLN HA H 1 4.42 0.01 . 1 . . . . 82 GLN HA . 6910 1 854 . 1 1 82 82 GLN HB2 H 1 2.16 0.01 . 1 . . . . 82 GLN HB2 . 6910 1 855 . 1 1 82 82 GLN HB3 H 1 2.32 0.01 . 1 . . . . 82 GLN HB3 . 6910 1 856 . 1 1 82 82 GLN HG2 H 1 2.23 0.01 . 2 . . . . 82 GLN HG2 . 6910 1 857 . 1 1 82 82 GLN HG3 H 1 2.54 0.01 . 2 . . . . 82 GLN HG3 . 6910 1 858 . 1 1 82 82 GLN HE21 H 1 7.34 0.01 . 2 . . . . 82 GLN HE21 . 6910 1 859 . 1 1 82 82 GLN HE22 H 1 6.77 0.01 . 2 . . . . 82 GLN HE22 . 6910 1 860 . 1 1 82 82 GLN CA C 13 53.9 0.2 . 1 . . . . 82 GLN CA . 6910 1 861 . 1 1 82 82 GLN CB C 13 30.3 0.2 . 1 . . . . 82 GLN CB . 6910 1 862 . 1 1 82 82 GLN CG C 13 34.8 0.2 . 1 . . . . 82 GLN CG . 6910 1 863 . 1 1 82 82 GLN N N 15 125.3 0.2 . 1 . . . . 82 GLN N . 6910 1 864 . 1 1 82 82 GLN NE2 N 15 114.4 0.2 . 1 . . . . 82 GLN NE2 . 6910 1 865 . 1 1 83 83 GLU H H 1 8.94 0.01 . 1 . . . . 83 GLU HN . 6910 1 866 . 1 1 83 83 GLU HA H 1 3.96 0.01 . 1 . . . . 83 GLU HA . 6910 1 867 . 1 1 83 83 GLU HB3 H 1 2.04 0.01 . 2 . . . . 83 GLU HB3 . 6910 1 868 . 1 1 83 83 GLU HG3 H 1 2.32 0.01 . 2 . . . . 83 GLU HG3 . 6910 1 869 . 1 1 83 83 GLU CA C 13 59.4 0.2 . 1 . . . . 83 GLU CA . 6910 1 870 . 1 1 83 83 GLU CB C 13 29.4 0.2 . 1 . . . . 83 GLU CB . 6910 1 871 . 1 1 83 83 GLU CG C 13 36.3 0.2 . 1 . . . . 83 GLU CG . 6910 1 872 . 1 1 83 83 GLU N N 15 122.6 0.2 . 1 . . . . 83 GLU N . 6910 1 873 . 1 1 84 84 ASN H H 1 7.91 0.01 . 1 . . . . 84 ASN HN . 6910 1 874 . 1 1 84 84 ASN HA H 1 4.56 0.01 . 1 . . . . 84 ASN HA . 6910 1 875 . 1 1 84 84 ASN HB2 H 1 3.26 0.01 . 1 . . . . 84 ASN HB2 . 6910 1 876 . 1 1 84 84 ASN HB3 H 1 2.82 0.01 . 1 . . . . 84 ASN HB3 . 6910 1 877 . 1 1 84 84 ASN HD21 H 1 6.78 0.01 . 2 . . . . 84 ASN HD21 . 6910 1 878 . 1 1 84 84 ASN HD22 H 1 7.33 0.01 . 2 . . . . 84 ASN HD22 . 6910 1 879 . 1 1 84 84 ASN CA C 13 52.6 0.2 . 1 . . . . 84 ASN CA . 6910 1 880 . 1 1 84 84 ASN CB C 13 37.3 0.2 . 1 . . . . 84 ASN CB . 6910 1 881 . 1 1 84 84 ASN N N 15 114.6 0.2 . 1 . . . . 84 ASN N . 6910 1 882 . 1 1 84 84 ASN ND2 N 15 108.6 0.2 . 1 . . . . 84 ASN ND2 . 6910 1 883 . 1 1 85 85 GLY H H 1 7.93 0.01 . 1 . . . . 85 GLY HN . 6910 1 884 . 1 1 85 85 GLY HA2 H 1 4.36 0.01 . 2 . . . . 85 GLY HA1 . 6910 1 885 . 1 1 85 85 GLY HA3 H 1 3.43 0.01 . 2 . . . . 85 GLY HA2 . 6910 1 886 . 1 1 85 85 GLY CA C 13 44.7 0.2 . 1 . . . . 85 GLY CA . 6910 1 887 . 1 1 85 85 GLY N N 15 109.0 0.2 . 1 . . . . 85 GLY N . 6910 1 888 . 1 1 86 86 GLU H H 1 7.56 0.01 . 1 . . . . 86 GLU HN . 6910 1 889 . 1 1 86 86 GLU HA H 1 4.30 0.01 . 1 . . . . 86 GLU HA . 6910 1 890 . 1 1 86 86 GLU HB2 H 1 2.14 0.01 . 2 . . . . 86 GLU HB2 . 6910 1 891 . 1 1 86 86 GLU HB3 H 1 1.97 0.01 . 2 . . . . 86 GLU HB3 . 6910 1 892 . 1 1 86 86 GLU HG3 H 1 2.27 0.01 . 2 . . . . 86 GLU HG3 . 6910 1 893 . 1 1 86 86 GLU CA C 13 57.0 0.2 . 1 . . . . 86 GLU CA . 6910 1 894 . 1 1 86 86 GLU CB C 13 30.1 0.2 . 1 . . . . 86 GLU CB . 6910 1 895 . 1 1 86 86 GLU CG C 13 37.8 0.2 . 1 . . . . 86 GLU CG . 6910 1 896 . 1 1 86 86 GLU N N 15 117.3 0.2 . 1 . . . . 86 GLU N . 6910 1 897 . 1 1 87 87 TRP H H 1 8.63 0.01 . 1 . . . . 87 TRP HN . 6910 1 898 . 1 1 87 87 TRP HA H 1 5.08 0.01 . 1 . . . . 87 TRP HA . 6910 1 899 . 1 1 87 87 TRP HB3 H 1 3.12 0.01 . 2 . . . . 87 TRP HB3 . 6910 1 900 . 1 1 87 87 TRP HD1 H 1 7.19 0.01 . 1 . . . . 87 TRP HD1 . 6910 1 901 . 1 1 87 87 TRP HE1 H 1 10.45 0.01 . 1 . . . . 87 TRP HE1 . 6910 1 902 . 1 1 87 87 TRP HE3 H 1 7.14 0.01 . 1 . . . . 87 TRP HE3 . 6910 1 903 . 1 1 87 87 TRP HZ2 H 1 7.50 0.01 . 1 . . . . 87 TRP HZ2 . 6910 1 904 . 1 1 87 87 TRP HZ3 H 1 7.04 0.01 . 1 . . . . 87 TRP HZ3 . 6910 1 905 . 1 1 87 87 TRP HH2 H 1 7.22 0.01 . 1 . . . . 87 TRP HH2 . 6910 1 906 . 1 1 87 87 TRP CA C 13 56.3 0.2 . 1 . . . . 87 TRP CA . 6910 1 907 . 1 1 87 87 TRP CB C 13 31.8 0.2 . 1 . . . . 87 TRP CB . 6910 1 908 . 1 1 87 87 TRP CD1 C 13 127.8 0.2 . 1 . . . . 87 TRP CD1 . 6910 1 909 . 1 1 87 87 TRP CE3 C 13 118.9 0.2 . 1 . . . . 87 TRP CE3 . 6910 1 910 . 1 1 87 87 TRP CZ2 C 13 115.0 0.2 . 1 . . . . 87 TRP CZ2 . 6910 1 911 . 1 1 87 87 TRP CZ3 C 13 121.5 0.2 . 1 . . . . 87 TRP CZ3 . 6910 1 912 . 1 1 87 87 TRP CH2 C 13 124.3 0.2 . 1 . . . . 87 TRP CH2 . 6910 1 913 . 1 1 87 87 TRP N N 15 119.8 0.2 . 1 . . . . 87 TRP N . 6910 1 914 . 1 1 87 87 TRP NE1 N 15 131.0 0.2 . 1 . . . . 87 TRP NE1 . 6910 1 915 . 1 1 88 88 VAL H H 1 9.10 0.01 . 1 . . . . 88 VAL HN . 6910 1 916 . 1 1 88 88 VAL HA H 1 5.30 0.01 . 1 . . . . 88 VAL HA . 6910 1 917 . 1 1 88 88 VAL HB H 1 2.01 0.01 . 1 . . . . 88 VAL HB . 6910 1 918 . 1 1 88 88 VAL HG11 H 1 0.94 0.01 . 2 . . . . 88 VAL HG1 . 6910 1 919 . 1 1 88 88 VAL HG12 H 1 0.94 0.01 . 2 . . . . 88 VAL HG1 . 6910 1 920 . 1 1 88 88 VAL HG13 H 1 0.94 0.01 . 2 . . . . 88 VAL HG1 . 6910 1 921 . 1 1 88 88 VAL HG21 H 1 1.00 0.01 . 2 . . . . 88 VAL HG2 . 6910 1 922 . 1 1 88 88 VAL HG22 H 1 1.00 0.01 . 2 . . . . 88 VAL HG2 . 6910 1 923 . 1 1 88 88 VAL HG23 H 1 1.00 0.01 . 2 . . . . 88 VAL HG2 . 6910 1 924 . 1 1 88 88 VAL CA C 13 61.2 0.2 . 1 . . . . 88 VAL CA . 6910 1 925 . 1 1 88 88 VAL CB C 13 34.4 0.2 . 1 . . . . 88 VAL CB . 6910 1 926 . 1 1 88 88 VAL CG1 C 13 21.7 0.2 . 1 . . . . 88 VAL CG1 . 6910 1 927 . 1 1 88 88 VAL CG2 C 13 21.7 0.2 . 1 . . . . 88 VAL CG2 . 6910 1 928 . 1 1 88 88 VAL N N 15 121.9 0.2 . 1 . . . . 88 VAL N . 6910 1 929 . 1 1 89 89 ALA H H 1 9.68 0.01 . 1 . . . . 89 ALA HN . 6910 1 930 . 1 1 89 89 ALA HA H 1 6.05 0.01 . 1 . . . . 89 ALA HA . 6910 1 931 . 1 1 89 89 ALA HB1 H 1 1.04 0.01 . 1 . . . . 89 ALA HB . 6910 1 932 . 1 1 89 89 ALA HB2 H 1 1.04 0.01 . 1 . . . . 89 ALA HB . 6910 1 933 . 1 1 89 89 ALA HB3 H 1 1.04 0.01 . 1 . . . . 89 ALA HB . 6910 1 934 . 1 1 89 89 ALA CA C 13 49.3 0.2 . 1 . . . . 89 ALA CA . 6910 1 935 . 1 1 89 89 ALA CB C 13 23.9 0.2 . 1 . . . . 89 ALA CB . 6910 1 936 . 1 1 89 89 ALA N N 15 132.68 0.2 . 1 . . . . 89 ALA N . 6910 1 937 . 1 1 90 90 SER H H 1 9.08 0.01 . 1 . . . . 90 SER HN . 6910 1 938 . 1 1 90 90 SER HA H 1 5.96 0.01 . 1 . . . . 90 SER HA . 6910 1 939 . 1 1 90 90 SER HB2 H 1 4.01 0.01 . 1 . . . . 90 SER HB2 . 6910 1 940 . 1 1 90 90 SER HB3 H 1 3.88 0.01 . 1 . . . . 90 SER HB3 . 6910 1 941 . 1 1 90 90 SER CA C 13 56.1 0.2 . 1 . . . . 90 SER CA . 6910 1 942 . 1 1 90 90 SER CB C 13 67.1 0.2 . 1 . . . . 90 SER CB . 6910 1 943 . 1 1 90 90 SER N N 15 114.7 0.2 . 1 . . . . 90 SER N . 6910 1 944 . 1 1 91 91 VAL H H 1 8.79 0.01 . 1 . . . . 91 VAL HN . 6910 1 945 . 1 1 91 91 VAL HA H 1 4.62 0.01 . 1 . . . . 91 VAL HA . 6910 1 946 . 1 1 91 91 VAL HB H 1 2.59 0.01 . 1 . . . . 91 VAL HB . 6910 1 947 . 1 1 91 91 VAL HG11 H 1 0.67 0.01 . 1 . . . . 91 VAL HG1 . 6910 1 948 . 1 1 91 91 VAL HG12 H 1 0.67 0.01 . 1 . . . . 91 VAL HG1 . 6910 1 949 . 1 1 91 91 VAL HG13 H 1 0.67 0.01 . 1 . . . . 91 VAL HG1 . 6910 1 950 . 1 1 91 91 VAL HG21 H 1 1.19 0.01 . 1 . . . . 91 VAL HG2 . 6910 1 951 . 1 1 91 91 VAL HG22 H 1 1.19 0.01 . 1 . . . . 91 VAL HG2 . 6910 1 952 . 1 1 91 91 VAL HG23 H 1 1.19 0.01 . 1 . . . . 91 VAL HG2 . 6910 1 953 . 1 1 91 91 VAL CA C 13 61.6 0.2 . 1 . . . . 91 VAL CA . 6910 1 954 . 1 1 91 91 VAL CB C 13 35.9 0.2 . 1 . . . . 91 VAL CB . 6910 1 955 . 1 1 91 91 VAL CG1 C 13 18.6 0.2 . 1 . . . . 91 VAL CG1 . 6910 1 956 . 1 1 91 91 VAL CG2 C 13 23.1 0.2 . 1 . . . . 91 VAL CG2 . 6910 1 957 . 1 1 91 91 VAL N N 15 122.7 0.2 . 1 . . . . 91 VAL N . 6910 1 958 . 1 1 92 92 VAL H H 1 7.51 0.01 . 1 . . . . 92 VAL HN . 6910 1 959 . 1 1 92 92 VAL HA H 1 4.58 0.01 . 1 . . . . 92 VAL HA . 6910 1 960 . 1 1 92 92 VAL HB H 1 1.43 0.01 . 1 . . . . 92 VAL HB . 6910 1 961 . 1 1 92 92 VAL HG11 H 1 -0.04 0.01 . 1 . . . . 92 VAL HG1 . 6910 1 962 . 1 1 92 92 VAL HG12 H 1 -0.04 0.01 . 1 . . . . 92 VAL HG1 . 6910 1 963 . 1 1 92 92 VAL HG13 H 1 -0.04 0.01 . 1 . . . . 92 VAL HG1 . 6910 1 964 . 1 1 92 92 VAL HG21 H 1 0.23 0.01 . 1 . . . . 92 VAL HG2 . 6910 1 965 . 1 1 92 92 VAL HG22 H 1 0.23 0.01 . 1 . . . . 92 VAL HG2 . 6910 1 966 . 1 1 92 92 VAL HG23 H 1 0.23 0.01 . 1 . . . . 92 VAL HG2 . 6910 1 967 . 1 1 92 92 VAL CA C 13 60.8 0.2 . 1 . . . . 92 VAL CA . 6910 1 968 . 1 1 92 92 VAL CB C 13 32.8 0.2 . 1 . . . . 92 VAL CB . 6910 1 969 . 1 1 92 92 VAL CG1 C 13 20.5 0.2 . 1 . . . . 92 VAL CG1 . 6910 1 970 . 1 1 92 92 VAL CG2 C 13 20.4 0.2 . 1 . . . . 92 VAL CG2 . 6910 1 971 . 1 1 92 92 VAL N N 15 125.1 0.2 . 1 . . . . 92 VAL N . 6910 1 972 . 1 1 93 93 VAL H H 1 9.00 0.01 . 1 . . . . 93 VAL HN . 6910 1 973 . 1 1 93 93 VAL HA H 1 4.45 0.01 . 1 . . . . 93 VAL HA . 6910 1 974 . 1 1 93 93 VAL HB H 1 1.86 0.01 . 1 . . . . 93 VAL HB . 6910 1 975 . 1 1 93 93 VAL HG11 H 1 1.13 0.01 . 1 . . . . 93 VAL HG1 . 6910 1 976 . 1 1 93 93 VAL HG12 H 1 1.13 0.01 . 1 . . . . 93 VAL HG1 . 6910 1 977 . 1 1 93 93 VAL HG13 H 1 1.13 0.01 . 1 . . . . 93 VAL HG1 . 6910 1 978 . 1 1 93 93 VAL HG21 H 1 0.74 0.01 . 1 . . . . 93 VAL HG2 . 6910 1 979 . 1 1 93 93 VAL HG22 H 1 0.74 0.01 . 1 . . . . 93 VAL HG2 . 6910 1 980 . 1 1 93 93 VAL HG23 H 1 0.74 0.01 . 1 . . . . 93 VAL HG2 . 6910 1 981 . 1 1 93 93 VAL CA C 13 59.8 0.2 . 1 . . . . 93 VAL CA . 6910 1 982 . 1 1 93 93 VAL CB C 13 33.1 0.2 . 1 . . . . 93 VAL CB . 6910 1 983 . 1 1 93 93 VAL CG1 C 13 24.2 0.2 . 1 . . . . 93 VAL CG1 . 6910 1 984 . 1 1 93 93 VAL CG2 C 13 21.0 0.2 . 1 . . . . 93 VAL CG2 . 6910 1 985 . 1 1 93 93 VAL N N 15 125.5 0.2 . 1 . . . . 93 VAL N . 6910 1 986 . 1 1 94 94 TYR H H 1 10.16 0.01 . 1 . . . . 94 TYR HN . 6910 1 987 . 1 1 94 94 TYR HA H 1 4.40 0.01 . 1 . . . . 94 TYR HA . 6910 1 988 . 1 1 94 94 TYR HB2 H 1 2.77 0.01 . 1 . . . . 94 TYR HB2 . 6910 1 989 . 1 1 94 94 TYR HB3 H 1 3.19 0.01 . 1 . . . . 94 TYR HB3 . 6910 1 990 . 1 1 94 94 TYR HD1 H 1 6.92 0.01 . 1 . . . . 94 TYR HD1 . 6910 1 991 . 1 1 94 94 TYR HD2 H 1 6.92 0.01 . 1 . . . . 94 TYR HD2 . 6910 1 992 . 1 1 94 94 TYR HE1 H 1 6.70 0.01 . 1 . . . . 94 TYR HE1 . 6910 1 993 . 1 1 94 94 TYR HE2 H 1 6.70 0.01 . 1 . . . . 94 TYR HE2 . 6910 1 994 . 1 1 94 94 TYR CA C 13 59.0 0.2 . 1 . . . . 94 TYR CA . 6910 1 995 . 1 1 94 94 TYR CB C 13 35.2 0.2 . 1 . . . . 94 TYR CB . 6910 1 996 . 1 1 94 94 TYR CD1 C 13 132.2 0.2 . 1 . . . . 94 TYR CD1 . 6910 1 997 . 1 1 94 94 TYR CE1 C 13 118.0 0.2 . 1 . . . . 94 TYR CE1 . 6910 1 998 . 1 1 94 94 TYR N N 15 133.88 0.2 . 1 . . . . 94 TYR N . 6910 1 999 . 1 1 95 95 PRO HA H 1 4.14 0.01 . 1 . . . . 95 PRO HA . 6910 1 1000 . 1 1 95 95 PRO HB2 H 1 1.96 0.01 . 2 . . . . 95 PRO HB2 . 6910 1 1001 . 1 1 95 95 PRO HB3 H 1 2.61 0.01 . 2 . . . . 95 PRO HB3 . 6910 1 1002 . 1 1 95 95 PRO HG3 H 1 1.76 0.01 . 2 . . . . 95 PRO HG3 . 6910 1 1003 . 1 1 95 95 PRO HD2 H 1 3.48 0.01 . 2 . . . . 95 PRO HD2 . 6910 1 1004 . 1 1 95 95 PRO HD3 H 1 3.35 0.01 . 2 . . . . 95 PRO HD3 . 6910 1 1005 . 1 1 95 95 PRO CA C 13 66.2 0.2 . 1 . . . . 95 PRO CA . 6910 1 1006 . 1 1 95 95 PRO CB C 13 33.5 0.2 . 1 . . . . 95 PRO CB . 6910 1 1007 . 1 1 95 95 PRO CG C 13 27.8 0.2 . 1 . . . . 95 PRO CG . 6910 1 1008 . 1 1 95 95 PRO CD C 13 50.7 0.2 . 1 . . . . 95 PRO CD . 6910 1 1009 . 1 1 96 96 CYS H H 1 8.07 0.01 . 1 . . . . 96 CYS HN . 6910 1 1010 . 1 1 96 96 CYS HA H 1 4.53 0.01 . 1 . . . . 96 CYS HA . 6910 1 1011 . 1 1 96 96 CYS HB2 H 1 3.49 0.01 . 2 . . . . 96 CYS HB2 . 6910 1 1012 . 1 1 96 96 CYS HB3 H 1 3.27 0.01 . 2 . . . . 96 CYS HB3 . 6910 1 1013 . 1 1 96 96 CYS CA C 13 61.6 0.2 . 1 . . . . 96 CYS CA . 6910 1 1014 . 1 1 96 96 CYS CB C 13 48.2 0.2 . 1 . . . . 96 CYS CB . 6910 1 1015 . 1 1 96 96 CYS N N 15 117.5 0.2 . 1 . . . . 96 CYS N . 6910 1 1016 . 1 1 97 97 GLU H H 1 8.26 0.01 . 1 . . . . 97 GLU HN . 6910 1 1017 . 1 1 97 97 GLU HA H 1 4.86 0.01 . 1 . . . . 97 GLU HA . 6910 1 1018 . 1 1 97 97 GLU HB3 H 1 2.33 0.01 . 2 . . . . 97 GLU HB3 . 6910 1 1019 . 1 1 97 97 GLU HG2 H 1 2.34 0.01 . 2 . . . . 97 GLU HG2 . 6910 1 1020 . 1 1 97 97 GLU HG3 H 1 2.59 0.01 . 2 . . . . 97 GLU HG3 . 6910 1 1021 . 1 1 97 97 GLU CA C 13 56.2 0.2 . 1 . . . . 97 GLU CA . 6910 1 1022 . 1 1 97 97 GLU CB C 13 31.7 0.2 . 1 . . . . 97 GLU CB . 6910 1 1023 . 1 1 97 97 GLU CG C 13 37.1 0.2 . 1 . . . . 97 GLU CG . 6910 1 1024 . 1 1 97 97 GLU N N 15 121.0 0.2 . 1 . . . . 97 GLU N . 6910 1 1025 . 1 1 98 98 THR H H 1 8.56 0.01 . 1 . . . . 98 THR HN . 6910 1 1026 . 1 1 98 98 THR HA H 1 5.57 0.01 . 1 . . . . 98 THR HA . 6910 1 1027 . 1 1 98 98 THR HB H 1 4.17 0.01 . 1 . . . . 98 THR HB . 6910 1 1028 . 1 1 98 98 THR HG1 H 1 5.99 0.01 . 1 . . . . 98 THR HG1 . 6910 1 1029 . 1 1 98 98 THR HG21 H 1 1.09 0.01 . 1 . . . . 98 THR HG2 . 6910 1 1030 . 1 1 98 98 THR HG22 H 1 1.09 0.01 . 1 . . . . 98 THR HG2 . 6910 1 1031 . 1 1 98 98 THR HG23 H 1 1.09 0.01 . 1 . . . . 98 THR HG2 . 6910 1 1032 . 1 1 98 98 THR CA C 13 61.3 0.2 . 1 . . . . 98 THR CA . 6910 1 1033 . 1 1 98 98 THR CB C 13 70.9 0.2 . 1 . . . . 98 THR CB . 6910 1 1034 . 1 1 98 98 THR CG2 C 13 20.9 0.2 . 1 . . . . 98 THR CG2 . 6910 1 1035 . 1 1 98 98 THR N N 15 115.4 0.2 . 1 . . . . 98 THR N . 6910 1 1036 . 1 1 99 99 GLU H H 1 9.38 0.01 . 1 . . . . 99 GLU HN . 6910 1 1037 . 1 1 99 99 GLU HA H 1 5.07 0.01 . 1 . . . . 99 GLU HA . 6910 1 1038 . 1 1 99 99 GLU HB2 H 1 1.64 0.01 . 2 . . . . 99 GLU HB2 . 6910 1 1039 . 1 1 99 99 GLU HB3 H 1 2.16 0.01 . 2 . . . . 99 GLU HB3 . 6910 1 1040 . 1 1 99 99 GLU HG2 H 1 2.48 0.01 . 2 . . . . 99 GLU HG2 . 6910 1 1041 . 1 1 99 99 GLU HG3 H 1 2.61 0.01 . 2 . . . . 99 GLU HG3 . 6910 1 1042 . 1 1 99 99 GLU CA C 13 53.5 0.2 . 1 . . . . 99 GLU CA . 6910 1 1043 . 1 1 99 99 GLU CB C 13 31.7 0.2 . 1 . . . . 99 GLU CB . 6910 1 1044 . 1 1 99 99 GLU CG C 13 34.5 0.2 . 1 . . . . 99 GLU CG . 6910 1 1045 . 1 1 99 99 GLU N N 15 123.8 0.2 . 1 . . . . 99 GLU N . 6910 1 1046 . 1 1 100 100 MET H H 1 8.72 0.01 . 1 . . . . 100 MET HN . 6910 1 1047 . 1 1 100 100 MET HA H 1 4.54 0.01 . 1 . . . . 100 MET HA . 6910 1 1048 . 1 1 100 100 MET HB3 H 1 1.87 0.01 . 2 . . . . 100 MET HB3 . 6910 1 1049 . 1 1 100 100 MET HG2 H 1 2.76 0.01 . 2 . . . . 100 MET HG2 . 6910 1 1050 . 1 1 100 100 MET HG3 H 1 2.50 0.01 . 2 . . . . 100 MET HG3 . 6910 1 1051 . 1 1 100 100 MET HE1 H 1 1.24 0.01 . 1 . . . . 100 MET HE . 6910 1 1052 . 1 1 100 100 MET HE2 H 1 1.24 0.01 . 1 . . . . 100 MET HE . 6910 1 1053 . 1 1 100 100 MET HE3 H 1 1.24 0.01 . 1 . . . . 100 MET HE . 6910 1 1054 . 1 1 100 100 MET CA C 13 54.4 0.2 . 1 . . . . 100 MET CA . 6910 1 1055 . 1 1 100 100 MET CB C 13 30.6 0.2 . 1 . . . . 100 MET CB . 6910 1 1056 . 1 1 100 100 MET CG C 13 30.7 0.2 . 1 . . . . 100 MET CG . 6910 1 1057 . 1 1 100 100 MET CE C 13 14.2 0.2 . 1 . . . . 100 MET CE . 6910 1 1058 . 1 1 100 100 MET N N 15 122.4 0.2 . 1 . . . . 100 MET N . 6910 1 1059 . 1 1 101 101 PHE H H 1 9.09 0.01 . 1 . . . . 101 PHE HN . 6910 1 1060 . 1 1 101 101 PHE HA H 1 5.87 0.01 . 1 . . . . 101 PHE HA . 6910 1 1061 . 1 1 101 101 PHE HB2 H 1 3.03 0.01 . 1 . . . . 101 PHE HB2 . 6910 1 1062 . 1 1 101 101 PHE HB3 H 1 3.10 0.01 . 1 . . . . 101 PHE HB3 . 6910 1 1063 . 1 1 101 101 PHE HD1 H 1 7.46 0.01 . 1 . . . . 101 PHE HD1 . 6910 1 1064 . 1 1 101 101 PHE HD2 H 1 7.46 0.01 . 1 . . . . 101 PHE HD2 . 6910 1 1065 . 1 1 101 101 PHE HE1 H 1 7.08 0.01 . 1 . . . . 101 PHE HE1 . 6910 1 1066 . 1 1 101 101 PHE HE2 H 1 7.08 0.01 . 1 . . . . 101 PHE HE2 . 6910 1 1067 . 1 1 101 101 PHE CA C 13 57.4 0.2 . 1 . . . . 101 PHE CA . 6910 1 1068 . 1 1 101 101 PHE CB C 13 43.6 0.2 . 1 . . . . 101 PHE CB . 6910 1 1069 . 1 1 101 101 PHE CD1 C 13 133.7 0.2 . 1 . . . . 101 PHE CD1 . 6910 1 1070 . 1 1 101 101 PHE CE1 C 13 130.2 0.2 . 1 . . . . 101 PHE CE1 . 6910 1 1071 . 1 1 101 101 PHE N N 15 122.9 0.2 . 1 . . . . 101 PHE N . 6910 1 1072 . 1 1 102 102 ILE H H 1 6.90 0.01 . 1 . . . . 102 ILE HN . 6910 1 1073 . 1 1 102 102 ILE HA H 1 5.09 0.01 . 1 . . . . 102 ILE HA . 6910 1 1074 . 1 1 102 102 ILE HB H 1 1.16 0.01 . 1 . . . . 102 ILE HB . 6910 1 1075 . 1 1 102 102 ILE HG12 H 1 0.71 0.01 . 2 . . . . 102 ILE HG12 . 6910 1 1076 . 1 1 102 102 ILE HG13 H 1 0.16 0.01 . 2 . . . . 102 ILE HG13 . 6910 1 1077 . 1 1 102 102 ILE HG21 H 1 -0.06 0.01 . 1 . . . . 102 ILE HG2 . 6910 1 1078 . 1 1 102 102 ILE HG22 H 1 -0.06 0.01 . 1 . . . . 102 ILE HG2 . 6910 1 1079 . 1 1 102 102 ILE HG23 H 1 -0.06 0.01 . 1 . . . . 102 ILE HG2 . 6910 1 1080 . 1 1 102 102 ILE HD11 H 1 -0.59 0.01 . 1 . . . . 102 ILE HD1 . 6910 1 1081 . 1 1 102 102 ILE HD12 H 1 -0.59 0.01 . 1 . . . . 102 ILE HD1 . 6910 1 1082 . 1 1 102 102 ILE HD13 H 1 -0.59 0.01 . 1 . . . . 102 ILE HD1 . 6910 1 1083 . 1 1 102 102 ILE CA C 13 56.9 0.2 . 1 . . . . 102 ILE CA . 6910 1 1084 . 1 1 102 102 ILE CB C 13 45.4 0.2 . 1 . . . . 102 ILE CB . 6910 1 1085 . 1 1 102 102 ILE CG1 C 13 26.4 0.2 . 1 . . . . 102 ILE CG1 . 6910 1 1086 . 1 1 102 102 ILE CG2 C 13 20.6 0.2 . 1 . . . . 102 ILE CG2 . 6910 1 1087 . 1 1 102 102 ILE CD1 C 13 14.6 0.2 . 1 . . . . 102 ILE CD1 . 6910 1 1088 . 1 1 102 102 ILE N N 15 107.5 0.2 . 1 . . . . 102 ILE N . 6910 1 1089 . 1 1 103 103 GLU H H 1 8.40 0.01 . 1 . . . . 103 GLU HN . 6910 1 1090 . 1 1 103 103 GLU HA H 1 5.56 0.01 . 1 . . . . 103 GLU HA . 6910 1 1091 . 1 1 103 103 GLU HB2 H 1 2.13 0.01 . 2 . . . . 103 GLU HB2 . 6910 1 1092 . 1 1 103 103 GLU HB3 H 1 1.70 0.01 . 2 . . . . 103 GLU HB3 . 6910 1 1093 . 1 1 103 103 GLU HG2 H 1 1.90 0.01 . 2 . . . . 103 GLU HG2 . 6910 1 1094 . 1 1 103 103 GLU HG3 H 1 2.36 0.01 . 2 . . . . 103 GLU HG3 . 6910 1 1095 . 1 1 103 103 GLU CA C 13 53.4 0.2 . 1 . . . . 103 GLU CA . 6910 1 1096 . 1 1 103 103 GLU CB C 13 35.6 0.2 . 1 . . . . 103 GLU CB . 6910 1 1097 . 1 1 103 103 GLU CG C 13 36.1 0.2 . 1 . . . . 103 GLU CG . 6910 1 1098 . 1 1 103 103 GLU N N 15 119.4 0.2 . 1 . . . . 103 GLU N . 6910 1 1099 . 1 1 104 104 GLY H H 1 9.07 0.01 . 1 . . . . 104 GLY HN . 6910 1 1100 . 1 1 104 104 GLY HA2 H 1 5.18 0.01 . 2 . . . . 104 GLY HA1 . 6910 1 1101 . 1 1 104 104 GLY HA3 H 1 3.77 0.01 . 2 . . . . 104 GLY HA2 . 6910 1 1102 . 1 1 104 104 GLY CA C 13 44.2 0.2 . 1 . . . . 104 GLY CA . 6910 1 1103 . 1 1 104 104 GLY N N 15 112.2 0.2 . 1 . . . . 104 GLY N . 6910 1 1104 . 1 1 105 105 ARG H H 1 7.86 0.01 . 1 . . . . 105 ARG HN . 6910 1 1105 . 1 1 105 105 ARG HA H 1 4.36 0.01 . 1 . . . . 105 ARG HA . 6910 1 1106 . 1 1 105 105 ARG HB3 H 1 1.73 0.01 . 2 . . . . 105 ARG HB3 . 6910 1 1107 . 1 1 105 105 ARG HG2 H 1 1.40 0.01 . 2 . . . . 105 ARG HG2 . 6910 1 1108 . 1 1 105 105 ARG HG3 H 1 1.64 0.01 . 2 . . . . 105 ARG HG3 . 6910 1 1109 . 1 1 105 105 ARG HD2 H 1 3.18 0.01 . 2 . . . . 105 ARG HD2 . 6910 1 1110 . 1 1 105 105 ARG HD3 H 1 3.38 0.01 . 2 . . . . 105 ARG HD3 . 6910 1 1111 . 1 1 105 105 ARG CA C 13 55.5 0.2 . 1 . . . . 105 ARG CA . 6910 1 1112 . 1 1 105 105 ARG CB C 13 32.0 0.2 . 1 . . . . 105 ARG CB . 6910 1 1113 . 1 1 105 105 ARG CG C 13 26.9 0.2 . 1 . . . . 105 ARG CG . 6910 1 1114 . 1 1 105 105 ARG CD C 13 43.1 0.2 . 1 . . . . 105 ARG CD . 6910 1 1115 . 1 1 105 105 ARG N N 15 121.5 0.2 . 1 . . . . 105 ARG N . 6910 1 1116 . 1 1 106 106 VAL H H 1 8.45 0.01 . 1 . . . . 106 VAL HN . 6910 1 1117 . 1 1 106 106 VAL HA H 1 4.11 0.01 . 1 . . . . 106 VAL HA . 6910 1 1118 . 1 1 106 106 VAL HB H 1 2.19 0.01 . 1 . . . . 106 VAL HB . 6910 1 1119 . 1 1 106 106 VAL HG11 H 1 1.07 0.01 . 1 . . . . 106 VAL HG1 . 6910 1 1120 . 1 1 106 106 VAL HG12 H 1 1.07 0.01 . 1 . . . . 106 VAL HG1 . 6910 1 1121 . 1 1 106 106 VAL HG13 H 1 1.07 0.01 . 1 . . . . 106 VAL HG1 . 6910 1 1122 . 1 1 106 106 VAL HG21 H 1 0.58 0.01 . 1 . . . . 106 VAL HG2 . 6910 1 1123 . 1 1 106 106 VAL HG22 H 1 0.58 0.01 . 1 . . . . 106 VAL HG2 . 6910 1 1124 . 1 1 106 106 VAL HG23 H 1 0.58 0.01 . 1 . . . . 106 VAL HG2 . 6910 1 1125 . 1 1 106 106 VAL CA C 13 61.3 0.2 . 1 . . . . 106 VAL CA . 6910 1 1126 . 1 1 106 106 VAL CB C 13 35.4 0.2 . 1 . . . . 106 VAL CB . 6910 1 1127 . 1 1 106 106 VAL CG1 C 13 22.3 0.2 . 1 . . . . 106 VAL CG1 . 6910 1 1128 . 1 1 106 106 VAL CG2 C 13 21.1 0.2 . 1 . . . . 106 VAL CG2 . 6910 1 1129 . 1 1 106 106 VAL N N 15 124.2 0.2 . 1 . . . . 106 VAL N . 6910 1 1130 . 1 1 107 107 ASN H H 1 8.81 0.01 . 1 . . . . 107 ASN HN . 6910 1 1131 . 1 1 107 107 ASN HA H 1 5.14 0.01 . 1 . . . . 107 ASN HA . 6910 1 1132 . 1 1 107 107 ASN HB2 H 1 2.79 0.01 . 2 . . . . 107 ASN HB2 . 6910 1 1133 . 1 1 107 107 ASN HB3 H 1 3.20 0.01 . 2 . . . . 107 ASN HB3 . 6910 1 1134 . 1 1 107 107 ASN HD21 H 1 7.98 0.01 . 2 . . . . 107 ASN HD21 . 6910 1 1135 . 1 1 107 107 ASN HD22 H 1 6.85 0.01 . 2 . . . . 107 ASN HD22 . 6910 1 1136 . 1 1 107 107 ASN CA C 13 53.0 0.2 . 1 . . . . 107 ASN CA . 6910 1 1137 . 1 1 107 107 ASN CB C 13 38.9 0.2 . 1 . . . . 107 ASN CB . 6910 1 1138 . 1 1 107 107 ASN N N 15 127.0 0.2 . 1 . . . . 107 ASN N . 6910 1 1139 . 1 1 107 107 ASN ND2 N 15 113.2 0.2 . 1 . . . . 107 ASN ND2 . 6910 1 1140 . 1 1 108 108 GLY H H 1 8.37 0.01 . 1 . . . . 108 GLY HN . 6910 1 1141 . 1 1 108 108 GLY HA2 H 1 4.12 0.01 . 2 . . . . 108 GLY HA1 . 6910 1 1142 . 1 1 108 108 GLY HA3 H 1 4.23 0.01 . 2 . . . . 108 GLY HA2 . 6910 1 1143 . 1 1 108 108 GLY CA C 13 45.6 0.2 . 1 . . . . 108 GLY CA . 6910 1 1144 . 1 1 108 108 GLY N N 15 110.5 0.2 . 1 . . . . 108 GLY N . 6910 1 1145 . 1 1 109 109 PHE H H 1 8.00 0.01 . 1 . . . . 109 PHE HN . 6910 1 1146 . 1 1 109 109 PHE HA H 1 5.44 0.01 . 1 . . . . 109 PHE HA . 6910 1 1147 . 1 1 109 109 PHE HB2 H 1 2.37 0.01 . 1 . . . . 109 PHE HB2 . 6910 1 1148 . 1 1 109 109 PHE HB3 H 1 3.27 0.01 . 1 . . . . 109 PHE HB3 . 6910 1 1149 . 1 1 109 109 PHE HD1 H 1 7.08 0.01 . 1 . . . . 109 PHE HD1 . 6910 1 1150 . 1 1 109 109 PHE HD2 H 1 7.08 0.01 . 1 . . . . 109 PHE HD2 . 6910 1 1151 . 1 1 109 109 PHE CA C 13 56.7 0.2 . 1 . . . . 109 PHE CA . 6910 1 1152 . 1 1 109 109 PHE CB C 13 41.2 0.2 . 1 . . . . 109 PHE CB . 6910 1 1153 . 1 1 109 109 PHE CD1 C 13 132.3 0.2 . 1 . . . . 109 PHE CD1 . 6910 1 1154 . 1 1 109 109 PHE N N 15 119.0 0.2 . 1 . . . . 109 PHE N . 6910 1 1155 . 1 1 110 110 LYS H H 1 8.74 0.01 . 1 . . . . 110 LYS HN . 6910 1 1156 . 1 1 110 110 LYS HA H 1 4.64 0.01 . 1 . . . . 110 LYS HA . 6910 1 1157 . 1 1 110 110 LYS HB2 H 1 1.75 0.01 . 2 . . . . 110 LYS HB2 . 6910 1 1158 . 1 1 110 110 LYS HB3 H 1 1.88 0.01 . 2 . . . . 110 LYS HB3 . 6910 1 1159 . 1 1 110 110 LYS HG3 H 1 1.44 0.01 . 2 . . . . 110 LYS HG3 . 6910 1 1160 . 1 1 110 110 LYS HD3 H 1 1.69 0.01 . 2 . . . . 110 LYS HD3 . 6910 1 1161 . 1 1 110 110 LYS HE3 H 1 2.96 0.01 . 2 . . . . 110 LYS HE3 . 6910 1 1162 . 1 1 110 110 LYS CA C 13 55.2 0.2 . 1 . . . . 110 LYS CA . 6910 1 1163 . 1 1 110 110 LYS CB C 13 35.9 0.2 . 1 . . . . 110 LYS CB . 6910 1 1164 . 1 1 110 110 LYS CG C 13 24.5 0.2 . 1 . . . . 110 LYS CG . 6910 1 1165 . 1 1 110 110 LYS CD C 13 29.3 0.2 . 1 . . . . 110 LYS CD . 6910 1 1166 . 1 1 110 110 LYS N N 15 119.4 0.2 . 1 . . . . 110 LYS N . 6910 1 1167 . 1 1 111 111 SER HA H 1 5.36 0.01 . 1 . . . . 111 SER HA . 6910 1 1168 . 1 1 111 111 SER HB2 H 1 3.77 0.01 . 2 . . . . 111 SER HB2 . 6910 1 1169 . 1 1 111 111 SER HB3 H 1 3.80 0.01 . 2 . . . . 111 SER HB3 . 6910 1 1170 . 1 1 111 111 SER CA C 13 57.8 0.2 . 1 . . . . 111 SER CA . 6910 1 1171 . 1 1 111 111 SER CB C 13 66.2 0.2 . 1 . . . . 111 SER CB . 6910 1 1172 . 1 1 112 112 LYS H H 1 9.17 0.01 . 1 . . . . 112 LYS HN . 6910 1 1173 . 1 1 112 112 LYS HA H 1 4.54 0.01 . 1 . . . . 112 LYS HA . 6910 1 1174 . 1 1 112 112 LYS HB2 H 1 1.72 0.01 . 2 . . . . 112 LYS HB2 . 6910 1 1175 . 1 1 112 112 LYS HB3 H 1 2.00 0.01 . 2 . . . . 112 LYS HB3 . 6910 1 1176 . 1 1 112 112 LYS HG3 H 1 1.41 0.01 . 2 . . . . 112 LYS HG3 . 6910 1 1177 . 1 1 112 112 LYS HE3 H 1 3.03 0.01 . 2 . . . . 112 LYS HE3 . 6910 1 1178 . 1 1 112 112 LYS CA C 13 56.3 0.2 . 1 . . . . 112 LYS CA . 6910 1 1179 . 1 1 112 112 LYS CB C 13 35.3 0.2 . 1 . . . . 112 LYS CB . 6910 1 1180 . 1 1 112 112 LYS CG C 13 24.9 0.2 . 1 . . . . 112 LYS CG . 6910 1 1181 . 1 1 112 112 LYS CD C 13 29.4 0.2 . 1 . . . . 112 LYS CD . 6910 1 1182 . 1 1 112 112 LYS CE C 13 42.0 0.2 . 1 . . . . 112 LYS CE . 6910 1 1183 . 1 1 112 112 LYS N N 15 127.2 0.2 . 1 . . . . 112 LYS N . 6910 1 1184 . 1 1 113 113 MET H H 1 8.60 0.01 . 1 . . . . 113 MET HN . 6910 1 1185 . 1 1 113 113 MET HA H 1 5.12 0.01 . 1 . . . . 113 MET HA . 6910 1 1186 . 1 1 113 113 MET HB2 H 1 1.58 0.01 . 1 . . . . 113 MET HB2 . 6910 1 1187 . 1 1 113 113 MET HB3 H 1 1.53 0.01 . 1 . . . . 113 MET HB3 . 6910 1 1188 . 1 1 113 113 MET HG3 H 1 2.17 0.01 . 2 . . . . 113 MET HG3 . 6910 1 1189 . 1 1 113 113 MET HE1 H 1 1.94 0.01 . 1 . . . . 113 MET HE . 6910 1 1190 . 1 1 113 113 MET HE2 H 1 1.94 0.01 . 1 . . . . 113 MET HE . 6910 1 1191 . 1 1 113 113 MET HE3 H 1 1.94 0.01 . 1 . . . . 113 MET HE . 6910 1 1192 . 1 1 113 113 MET CA C 13 53.8 0.2 . 1 . . . . 113 MET CA . 6910 1 1193 . 1 1 113 113 MET CB C 13 35.2 0.2 . 1 . . . . 113 MET CB . 6910 1 1194 . 1 1 113 113 MET CG C 13 32.1 0.2 . 1 . . . . 113 MET CG . 6910 1 1195 . 1 1 113 113 MET CE C 13 17.8 0.2 . 1 . . . . 113 MET CE . 6910 1 1196 . 1 1 113 113 MET N N 15 124.7 0.2 . 1 . . . . 113 MET N . 6910 1 1197 . 1 1 114 114 ASP H H 1 8.71 0.01 . 1 . . . . 114 ASP HN . 6910 1 1198 . 1 1 114 114 ASP HA H 1 5.16 0.01 . 1 . . . . 114 ASP HA . 6910 1 1199 . 1 1 114 114 ASP HB3 H 1 2.44 0.01 . 2 . . . . 114 ASP HB3 . 6910 1 1200 . 1 1 114 114 ASP CA C 13 53.3 0.2 . 1 . . . . 114 ASP CA . 6910 1 1201 . 1 1 114 114 ASP CB C 13 44.9 0.2 . 1 . . . . 114 ASP CB . 6910 1 1202 . 1 1 114 114 ASP N N 15 121.5 0.2 . 1 . . . . 114 ASP N . 6910 1 1203 . 1 1 115 115 ALA H H 1 8.73 0.01 . 1 . . . . 115 ALA HN . 6910 1 1204 . 1 1 115 115 ALA HA H 1 4.90 0.01 . 1 . . . . 115 ALA HA . 6910 1 1205 . 1 1 115 115 ALA HB1 H 1 0.35 0.01 . 1 . . . . 115 ALA HB . 6910 1 1206 . 1 1 115 115 ALA HB2 H 1 0.35 0.01 . 1 . . . . 115 ALA HB . 6910 1 1207 . 1 1 115 115 ALA HB3 H 1 0.35 0.01 . 1 . . . . 115 ALA HB . 6910 1 1208 . 1 1 115 115 ALA CA C 13 51.1 0.2 . 1 . . . . 115 ALA CA . 6910 1 1209 . 1 1 115 115 ALA CB C 13 18.1 0.2 . 1 . . . . 115 ALA CB . 6910 1 1210 . 1 1 115 115 ALA N N 15 127.9 0.2 . 1 . . . . 115 ALA N . 6910 1 1211 . 1 1 116 116 LEU H H 1 8.75 0.01 . 1 . . . . 116 LEU HN . 6910 1 1212 . 1 1 116 116 LEU HA H 1 4.99 0.01 . 1 . . . . 116 LEU HA . 6910 1 1213 . 1 1 116 116 LEU HB2 H 1 1.51 0.01 . 1 . . . . 116 LEU HB2 . 6910 1 1214 . 1 1 116 116 LEU HB3 H 1 1.69 0.01 . 1 . . . . 116 LEU HB3 . 6910 1 1215 . 1 1 116 116 LEU HG H 1 1.39 0.01 . 1 . . . . 116 LEU HG . 6910 1 1216 . 1 1 116 116 LEU HD11 H 1 0.37 0.01 . 1 . . . . 116 LEU HD1 . 6910 1 1217 . 1 1 116 116 LEU HD12 H 1 0.37 0.01 . 1 . . . . 116 LEU HD1 . 6910 1 1218 . 1 1 116 116 LEU HD13 H 1 0.37 0.01 . 1 . . . . 116 LEU HD1 . 6910 1 1219 . 1 1 116 116 LEU HD21 H 1 0.72 0.01 . 1 . . . . 116 LEU HD2 . 6910 1 1220 . 1 1 116 116 LEU HD22 H 1 0.72 0.01 . 1 . . . . 116 LEU HD2 . 6910 1 1221 . 1 1 116 116 LEU HD23 H 1 0.72 0.01 . 1 . . . . 116 LEU HD2 . 6910 1 1222 . 1 1 116 116 LEU CA C 13 52.3 0.2 . 1 . . . . 116 LEU CA . 6910 1 1223 . 1 1 116 116 LEU CB C 13 42.4 0.2 . 1 . . . . 116 LEU CB . 6910 1 1224 . 1 1 116 116 LEU CG C 13 28.1 0.2 . 1 . . . . 116 LEU CG . 6910 1 1225 . 1 1 116 116 LEU CD1 C 13 23.9 0.2 . 1 . . . . 116 LEU CD1 . 6910 1 1226 . 1 1 116 116 LEU CD2 C 13 23.3 0.2 . 1 . . . . 116 LEU CD2 . 6910 1 1227 . 1 1 116 116 LEU N N 15 127.0 0.2 . 1 . . . . 116 LEU N . 6910 1 1228 . 1 1 117 117 PRO HA H 1 4.58 0.01 . 1 . . . . 117 PRO HA . 6910 1 1229 . 1 1 117 117 PRO HB2 H 1 1.89 0.01 . 2 . . . . 117 PRO HB2 . 6910 1 1230 . 1 1 117 117 PRO HB3 H 1 2.41 0.01 . 2 . . . . 117 PRO HB3 . 6910 1 1231 . 1 1 117 117 PRO HG3 H 1 2.10 0.01 . 2 . . . . 117 PRO HG3 . 6910 1 1232 . 1 1 117 117 PRO HD2 H 1 3.67 0.01 . 2 . . . . 117 PRO HD2 . 6910 1 1233 . 1 1 117 117 PRO HD3 H 1 3.93 0.01 . 2 . . . . 117 PRO HD3 . 6910 1 1234 . 1 1 117 117 PRO CA C 13 62.4 0.2 . 1 . . . . 117 PRO CA . 6910 1 1235 . 1 1 117 117 PRO CB C 13 32.1 0.2 . 1 . . . . 117 PRO CB . 6910 1 1236 . 1 1 117 117 PRO CG C 13 27.7 0.2 . 1 . . . . 117 PRO CG . 6910 1 1237 . 1 1 117 117 PRO CD C 13 50.4 0.2 . 1 . . . . 117 PRO CD . 6910 1 1238 . 1 1 118 118 LEU H H 1 7.76 0.01 . 1 . . . . 118 LEU HN . 6910 1 1239 . 1 1 118 118 LEU HA H 1 4.19 0.01 . 1 . . . . 118 LEU HA . 6910 1 1240 . 1 1 118 118 LEU HB2 H 1 1.64 0.01 . 1 . . . . 118 LEU HB2 . 6910 1 1241 . 1 1 118 118 LEU HB3 H 1 1.40 0.01 . 1 . . . . 118 LEU HB3 . 6910 1 1242 . 1 1 118 118 LEU HD11 H 1 0.87 0.01 . 1 . . . . 118 LEU HD1 . 6910 1 1243 . 1 1 118 118 LEU HD12 H 1 0.87 0.01 . 1 . . . . 118 LEU HD1 . 6910 1 1244 . 1 1 118 118 LEU HD13 H 1 0.87 0.01 . 1 . . . . 118 LEU HD1 . 6910 1 1245 . 1 1 118 118 LEU HD21 H 1 0.41 0.01 . 1 . . . . 118 LEU HD2 . 6910 1 1246 . 1 1 118 118 LEU HD22 H 1 0.41 0.01 . 1 . . . . 118 LEU HD2 . 6910 1 1247 . 1 1 118 118 LEU HD23 H 1 0.41 0.01 . 1 . . . . 118 LEU HD2 . 6910 1 1248 . 1 1 118 118 LEU CA C 13 55.9 0.2 . 1 . . . . 118 LEU CA . 6910 1 1249 . 1 1 118 118 LEU CB C 13 41.6 0.2 . 1 . . . . 118 LEU CB . 6910 1 1250 . 1 1 118 118 LEU CG C 13 25.9 0.2 . 1 . . . . 118 LEU CG . 6910 1 1251 . 1 1 118 118 LEU CD1 C 13 24.8 0.2 . 1 . . . . 118 LEU CD1 . 6910 1 1252 . 1 1 118 118 LEU CD2 C 13 22.3 0.2 . 1 . . . . 118 LEU CD2 . 6910 1 1253 . 1 1 118 118 LEU N N 15 118.9 0.2 . 1 . . . . 118 LEU N . 6910 1 1254 . 1 1 119 119 SER H H 1 8.70 0.01 . 1 . . . . 119 SER HN . 6910 1 1255 . 1 1 119 119 SER HA H 1 4.57 0.01 . 1 . . . . 119 SER HA . 6910 1 1256 . 1 1 119 119 SER HB2 H 1 4.29 0.01 . 2 . . . . 119 SER HB2 . 6910 1 1257 . 1 1 119 119 SER HB3 H 1 4.46 0.01 . 2 . . . . 119 SER HB3 . 6910 1 1258 . 1 1 119 119 SER CA C 13 58.1 0.2 . 1 . . . . 119 SER CA . 6910 1 1259 . 1 1 119 119 SER CB C 13 66.0 0.2 . 1 . . . . 119 SER CB . 6910 1 1260 . 1 1 119 119 SER N N 15 121.3 0.2 . 1 . . . . 119 SER N . 6910 1 1261 . 1 1 120 120 GLU H H 1 9.04 0.01 . 1 . . . . 120 GLU HN . 6910 1 1262 . 1 1 120 120 GLU HA H 1 4.16 0.01 . 1 . . . . 120 GLU HA . 6910 1 1263 . 1 1 120 120 GLU HB3 H 1 2.10 0.01 . 2 . . . . 120 GLU HB3 . 6910 1 1264 . 1 1 120 120 GLU HG3 H 1 2.41 0.01 . 2 . . . . 120 GLU HG3 . 6910 1 1265 . 1 1 120 120 GLU CA C 13 59.1 0.2 . 1 . . . . 120 GLU CA . 6910 1 1266 . 1 1 120 120 GLU CB C 13 29.3 0.2 . 1 . . . . 120 GLU CB . 6910 1 1267 . 1 1 120 120 GLU CG C 13 36.1 0.2 . 1 . . . . 120 GLU CG . 6910 1 1268 . 1 1 120 120 GLU N N 15 122.1 0.2 . 1 . . . . 120 GLU N . 6910 1 1269 . 1 1 121 121 GLU H H 1 8.66 0.01 . 1 . . . . 121 GLU HN . 6910 1 1270 . 1 1 121 121 GLU HA H 1 4.08 0.01 . 1 . . . . 121 GLU HA . 6910 1 1271 . 1 1 121 121 GLU HB2 H 1 2.26 0.01 . 2 . . . . 121 GLU HB2 . 6910 1 1272 . 1 1 121 121 GLU HB3 H 1 2.08 0.01 . 2 . . . . 121 GLU HB3 . 6910 1 1273 . 1 1 121 121 GLU HG3 H 1 2.40 0.01 . 2 . . . . 121 GLU HG3 . 6910 1 1274 . 1 1 121 121 GLU CA C 13 59.9 0.2 . 1 . . . . 121 GLU CA . 6910 1 1275 . 1 1 121 121 GLU CB C 13 28.9 0.2 . 1 . . . . 121 GLU CB . 6910 1 1276 . 1 1 121 121 GLU CG C 13 37.0 0.2 . 1 . . . . 121 GLU CG . 6910 1 1277 . 1 1 121 121 GLU N N 15 119.4 0.2 . 1 . . . . 121 GLU N . 6910 1 1278 . 1 1 122 122 TYR H H 1 8.01 0.01 . 1 . . . . 122 TYR HN . 6910 1 1279 . 1 1 122 122 TYR HA H 1 3.94 0.01 . 1 . . . . 122 TYR HA . 6910 1 1280 . 1 1 122 122 TYR HB3 H 1 3.16 0.01 . 2 . . . . 122 TYR HB3 . 6910 1 1281 . 1 1 122 122 TYR HD1 H 1 6.62 0.01 . 1 . . . . 122 TYR HD1 . 6910 1 1282 . 1 1 122 122 TYR HD2 H 1 6.62 0.01 . 1 . . . . 122 TYR HD2 . 6910 1 1283 . 1 1 122 122 TYR HE1 H 1 6.73 0.01 . 1 . . . . 122 TYR HE1 . 6910 1 1284 . 1 1 122 122 TYR HE2 H 1 6.73 0.01 . 1 . . . . 122 TYR HE2 . 6910 1 1285 . 1 1 122 122 TYR CA C 13 60.9 0.2 . 1 . . . . 122 TYR CA . 6910 1 1286 . 1 1 122 122 TYR CB C 13 37.7 0.2 . 1 . . . . 122 TYR CB . 6910 1 1287 . 1 1 122 122 TYR CD1 C 13 133.3 0.2 . 1 . . . . 122 TYR CD1 . 6910 1 1288 . 1 1 122 122 TYR CE1 C 13 117.8 0.2 . 1 . . . . 122 TYR CE1 . 6910 1 1289 . 1 1 122 122 TYR N N 15 121.3 0.2 . 1 . . . . 122 TYR N . 6910 1 1290 . 1 1 123 123 ARG H H 1 7.95 0.01 . 1 . . . . 123 ARG HN . 6910 1 1291 . 1 1 123 123 ARG HA H 1 3.82 0.01 . 1 . . . . 123 ARG HA . 6910 1 1292 . 1 1 123 123 ARG HB2 H 1 1.92 0.01 . 2 . . . . 123 ARG HB2 . 6910 1 1293 . 1 1 123 123 ARG HB3 H 1 1.96 0.01 . 2 . . . . 123 ARG HB3 . 6910 1 1294 . 1 1 123 123 ARG HG2 H 1 1.85 0.01 . 2 . . . . 123 ARG HG2 . 6910 1 1295 . 1 1 123 123 ARG HG3 H 1 1.68 0.01 . 2 . . . . 123 ARG HG3 . 6910 1 1296 . 1 1 123 123 ARG HD2 H 1 3.25 0.01 . 2 . . . . 123 ARG HD2 . 6910 1 1297 . 1 1 123 123 ARG HD3 H 1 3.27 0.01 . 2 . . . . 123 ARG HD3 . 6910 1 1298 . 1 1 123 123 ARG CA C 13 59.2 0.2 . 1 . . . . 123 ARG CA . 6910 1 1299 . 1 1 123 123 ARG CB C 13 29.9 0.2 . 1 . . . . 123 ARG CB . 6910 1 1300 . 1 1 123 123 ARG CG C 13 28.0 0.2 . 1 . . . . 123 ARG CG . 6910 1 1301 . 1 1 123 123 ARG CD C 13 43.3 0.2 . 1 . . . . 123 ARG CD . 6910 1 1302 . 1 1 123 123 ARG N N 15 119.4 0.2 . 1 . . . . 123 ARG N . 6910 1 1303 . 1 1 124 124 GLN H H 1 8.23 0.01 . 1 . . . . 124 GLN HN . 6910 1 1304 . 1 1 124 124 GLN HA H 1 4.09 0.01 . 1 . . . . 124 GLN HA . 6910 1 1305 . 1 1 124 124 GLN HB3 H 1 2.11 0.01 . 2 . . . . 124 GLN HB3 . 6910 1 1306 . 1 1 124 124 GLN HG2 H 1 2.41 0.01 . 2 . . . . 124 GLN HG2 . 6910 1 1307 . 1 1 124 124 GLN HG3 H 1 2.48 0.01 . 2 . . . . 124 GLN HG3 . 6910 1 1308 . 1 1 124 124 GLN HE21 H 1 7.67 0.01 . 2 . . . . 124 GLN HE21 . 6910 1 1309 . 1 1 124 124 GLN HE22 H 1 6.83 0.01 . 2 . . . . 124 GLN HE22 . 6910 1 1310 . 1 1 124 124 GLN CA C 13 57.9 0.2 . 1 . . . . 124 GLN CA . 6910 1 1311 . 1 1 124 124 GLN CB C 13 28.3 0.2 . 1 . . . . 124 GLN CB . 6910 1 1312 . 1 1 124 124 GLN CG C 13 33.6 0.2 . 1 . . . . 124 GLN CG . 6910 1 1313 . 1 1 124 124 GLN N N 15 119.2 0.2 . 1 . . . . 124 GLN N . 6910 1 1314 . 1 1 124 124 GLN NE2 N 15 112.1 0.2 . 1 . . . . 124 GLN NE2 . 6910 1 1315 . 1 1 125 125 HIS H H 1 7.93 0.01 . 1 . . . . 125 HIS HN . 6910 1 1316 . 1 1 125 125 HIS HA H 1 4.45 0.01 . 1 . . . . 125 HIS HA . 6910 1 1317 . 1 1 125 125 HIS HB2 H 1 3.12 0.01 . 2 . . . . 125 HIS HB2 . 6910 1 1318 . 1 1 125 125 HIS HB3 H 1 3.23 0.01 . 2 . . . . 125 HIS HB3 . 6910 1 1319 . 1 1 125 125 HIS HD2 H 1 7.03 0.01 . 1 . . . . 125 HIS HD2 . 6910 1 1320 . 1 1 125 125 HIS HE1 H 1 8.52 0.01 . 1 . . . . 125 HIS HE1 . 6910 1 1321 . 1 1 125 125 HIS CA C 13 57.9 0.2 . 1 . . . . 125 HIS CA . 6910 1 1322 . 1 1 125 125 HIS CB C 13 28.5 0.2 . 1 . . . . 125 HIS CB . 6910 1 1323 . 1 1 125 125 HIS CD2 C 13 119.8 0.2 . 1 . . . . 125 HIS CD2 . 6910 1 1324 . 1 1 125 125 HIS CE1 C 13 137.2 0.2 . 1 . . . . 125 HIS CE1 . 6910 1 1325 . 1 1 125 125 HIS N N 15 119.3 0.2 . 1 . . . . 125 HIS N . 6910 1 1326 . 1 1 126 126 GLN H H 1 8.15 0.01 . 1 . . . . 126 GLN HN . 6910 1 1327 . 1 1 126 126 GLN HA H 1 3.90 0.01 . 1 . . . . 126 GLN HA . 6910 1 1328 . 1 1 126 126 GLN HB2 H 1 1.92 0.01 . 2 . . . . 126 GLN HB2 . 6910 1 1329 . 1 1 126 126 GLN HB3 H 1 1.85 0.01 . 2 . . . . 126 GLN HB3 . 6910 1 1330 . 1 1 126 126 GLN HG2 H 1 2.09 0.01 . 2 . . . . 126 GLN HG2 . 6910 1 1331 . 1 1 126 126 GLN HG3 H 1 1.97 0.01 . 2 . . . . 126 GLN HG3 . 6910 1 1332 . 1 1 126 126 GLN HE21 H 1 7.26 0.01 . 2 . . . . 126 GLN HE21 . 6910 1 1333 . 1 1 126 126 GLN HE22 H 1 6.84 0.01 . 2 . . . . 126 GLN HE22 . 6910 1 1334 . 1 1 126 126 GLN CA C 13 57.3 0.2 . 1 . . . . 126 GLN CA . 6910 1 1335 . 1 1 126 126 GLN CB C 13 29.2 0.2 . 1 . . . . 126 GLN CB . 6910 1 1336 . 1 1 126 126 GLN CG C 13 33.8 0.2 . 1 . . . . 126 GLN CG . 6910 1 1337 . 1 1 126 126 GLN N N 15 119.0 0.2 . 1 . . . . 126 GLN N . 6910 1 1338 . 1 1 127 127 ALA H H 1 7.81 0.01 . 1 . . . . 127 ALA HN . 6910 1 1339 . 1 1 127 127 ALA HA H 1 4.23 0.01 . 1 . . . . 127 ALA HA . 6910 1 1340 . 1 1 127 127 ALA HB1 H 1 1.47 0.01 . 1 . . . . 127 ALA HB . 6910 1 1341 . 1 1 127 127 ALA HB2 H 1 1.47 0.01 . 1 . . . . 127 ALA HB . 6910 1 1342 . 1 1 127 127 ALA HB3 H 1 1.47 0.01 . 1 . . . . 127 ALA HB . 6910 1 1343 . 1 1 127 127 ALA CA C 13 53.5 0.2 . 1 . . . . 127 ALA CA . 6910 1 1344 . 1 1 127 127 ALA CB C 13 18.6 0.2 . 1 . . . . 127 ALA CB . 6910 1 1345 . 1 1 127 127 ALA N N 15 122.1 0.2 . 1 . . . . 127 ALA N . 6910 1 1346 . 1 1 128 128 GLU H H 1 7.81 0.01 . 1 . . . . 128 GLU HN . 6910 1 1347 . 1 1 128 128 GLU HA H 1 4.21 0.01 . 1 . . . . 128 GLU HA . 6910 1 1348 . 1 1 128 128 GLU HB2 H 1 2.10 0.01 . 2 . . . . 128 GLU HB2 . 6910 1 1349 . 1 1 128 128 GLU HB3 H 1 2.03 0.01 . 2 . . . . 128 GLU HB3 . 6910 1 1350 . 1 1 128 128 GLU HG2 H 1 2.42 0.01 . 2 . . . . 128 GLU HG2 . 6910 1 1351 . 1 1 128 128 GLU HG3 H 1 2.32 0.01 . 2 . . . . 128 GLU HG3 . 6910 1 1352 . 1 1 128 128 GLU CA C 13 57.0 0.2 . 1 . . . . 128 GLU CA . 6910 1 1353 . 1 1 128 128 GLU CB C 13 30.1 0.2 . 1 . . . . 128 GLU CB . 6910 1 1354 . 1 1 128 128 GLU CG C 13 36.3 0.2 . 1 . . . . 128 GLU CG . 6910 1 1355 . 1 1 128 128 GLU N N 15 117.9 0.2 . 1 . . . . 128 GLU N . 6910 1 1356 . 1 1 129 129 LYS H H 1 7.75 0.01 . 1 . . . . 129 LYS HN . 6910 1 1357 . 1 1 129 129 LYS HA H 1 4.24 0.01 . 1 . . . . 129 LYS HA . 6910 1 1358 . 1 1 129 129 LYS HB3 H 1 1.82 0.01 . 2 . . . . 129 LYS HB3 . 6910 1 1359 . 1 1 129 129 LYS HG3 H 1 1.45 0.01 . 2 . . . . 129 LYS HG3 . 6910 1 1360 . 1 1 129 129 LYS HD3 H 1 1.67 0.01 . 2 . . . . 129 LYS HD3 . 6910 1 1361 . 1 1 129 129 LYS HE3 H 1 3.00 0.01 . 2 . . . . 129 LYS HE3 . 6910 1 1362 . 1 1 129 129 LYS CA C 13 56.9 0.2 . 1 . . . . 129 LYS CA . 6910 1 1363 . 1 1 129 129 LYS CB C 13 32.9 0.2 . 1 . . . . 129 LYS CB . 6910 1 1364 . 1 1 129 129 LYS CG C 13 24.6 0.2 . 1 . . . . 129 LYS CG . 6910 1 1365 . 1 1 129 129 LYS CD C 13 29.2 0.2 . 1 . . . . 129 LYS CD . 6910 1 1366 . 1 1 129 129 LYS CE C 13 42.1 0.2 . 1 . . . . 129 LYS CE . 6910 1 1367 . 1 1 129 129 LYS N N 15 120.1 0.2 . 1 . . . . 129 LYS N . 6910 1 1368 . 1 1 130 130 ASP H H 1 8.16 0.01 . 1 . . . . 130 ASP HN . 6910 1 1369 . 1 1 130 130 ASP HA H 1 4.66 0.01 . 1 . . . . 130 ASP HA . 6910 1 1370 . 1 1 130 130 ASP HB2 H 1 2.81 0.01 . 2 . . . . 130 ASP HB2 . 6910 1 1371 . 1 1 130 130 ASP HB3 H 1 2.65 0.01 . 2 . . . . 130 ASP HB3 . 6910 1 1372 . 1 1 130 130 ASP CA C 13 54.6 0.2 . 1 . . . . 130 ASP CA . 6910 1 1373 . 1 1 130 130 ASP CB C 13 41.0 0.2 . 1 . . . . 130 ASP CB . 6910 1 1374 . 1 1 130 130 ASP N N 15 120.6 0.2 . 1 . . . . 130 ASP N . 6910 1 1375 . 1 1 131 131 LYS H H 1 7.67 0.01 . 1 . . . . 131 LYS HN . 6910 1 1376 . 1 1 131 131 LYS HA H 1 4.17 0.01 . 1 . . . . 131 LYS HA . 6910 1 1377 . 1 1 131 131 LYS HB2 H 1 1.77 0.01 . 2 . . . . 131 LYS HB2 . 6910 1 1378 . 1 1 131 131 LYS HB3 H 1 1.88 0.01 . 2 . . . . 131 LYS HB3 . 6910 1 1379 . 1 1 131 131 LYS HG3 H 1 1.44 0.01 . 2 . . . . 131 LYS HG3 . 6910 1 1380 . 1 1 131 131 LYS HD3 H 1 1.72 0.01 . 2 . . . . 131 LYS HD3 . 6910 1 1381 . 1 1 131 131 LYS HE3 H 1 3.04 0.01 . 2 . . . . 131 LYS HE3 . 6910 1 1382 . 1 1 131 131 LYS CA C 13 57.7 0.2 . 1 . . . . 131 LYS CA . 6910 1 1383 . 1 1 131 131 LYS CB C 13 33.7 0.2 . 1 . . . . 131 LYS CB . 6910 1 1384 . 1 1 131 131 LYS CG C 13 24.7 0.2 . 1 . . . . 131 LYS CG . 6910 1 1385 . 1 1 131 131 LYS CD C 13 29.2 0.2 . 1 . . . . 131 LYS CD . 6910 1 1386 . 1 1 131 131 LYS N N 15 125.8 0.2 . 1 . . . . 131 LYS N . 6910 1 stop_ save_