data_16781 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16781 _Entry.Title ; Backbone chemical shift assignments for the microtubule binding domain of the Dictyostelium discoideum dynein heavy chain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-21 _Entry.Accession_date 2010-03-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'microtubule binding domain of the dynein heavy chain' _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 Lynn McNaughton . . . 16781 2 Irina Tikhonenko . . . 16781 3 Nilesh Banavali . K. . 16781 4 David LeMaster . M. . 16781 5 Michael Koonce . P. . 16781 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wadsworth Center' . 16781 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16781 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 16781 '15N chemical shifts' 116 16781 '1H chemical shifts' 116 16781 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 . . 2010-05-18 2010-03-21 update BMRB 'complete entry citation' 16781 1 . . 2010-05-03 2010-03-21 original author 'original release' 16781 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16781 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20351100 _Citation.Full_citation . _Citation.Title 'A low affinity ground state conformation for the Dynein microtubule binding domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 21 _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 15994 _Citation.Page_last 16002 _Citation.Year 2010 _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 Lynn McNaughton . . . 16781 1 2 Irina Tikhonenko . . . 16781 1 3 Nilesh Banavali . K. . 16781 1 4 David LeMaster . M. . 16781 1 5 Michael Koonce . P. . 16781 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'binding affinity' 16781 1 'helical registry' 16781 1 NMR 16781 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16781 _Assembly.ID 1 _Assembly.Name 'dynein microtubule binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15120 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'dynein headpiece' 1 $dynein_microtubule_binding_domain A . yes native no no 1 'binding domain' . 16781 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'microtubule transport' 16781 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dynein_microtubule_binding_domain _Entity.Sf_category entity _Entity.Sf_framecode dynein_microtubule_binding_domain _Entity.Entry_ID 16781 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dynein_microtubule_binding_domain _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 ; GSHMLEDPPAIIEAQEAVST IKKKHLDEIKSLPKPPTPVK LAMEAVCLMLGGKKLEWADI RKKIMEPNFITSIINYDTKK MMTPKIREAITKGYLEDPGF DYETVNRASKACGPLVKWAT AQTYYSEILDRIKP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'P1,A2,I3,I4 ...' _Entity.Polymer_author_seq_details 'The initial 8 residues preceding the PAII... sequence are the residual sequence from a thrombin cleavage sequence' _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'microtubule binding domain of the dynein heavy chain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15120 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3J6P . "Pseudo-atomic Model Of Dynein Microtubule Binding Domain-tubulin Complex Based On A Cryoem Map" . . . . . 80.60 108 100.00 100.00 8.72e-72 . . . . 16781 1 2 no PDB 3VKH . "X-Ray Structure Of A Functional Full-Length Dynein Motor Domain" . . . . . 94.03 3367 100.00 100.00 2.39e-77 . . . . 16781 1 3 no EMBL CAA78827 . "cytoplasmic dynein heavy chain [Dictyostelium discoideum]" . . . . . 94.03 4725 100.00 100.00 6.99e-77 . . . . 16781 1 4 no GB EAL69258 . "cytoplasmic dynein heavy chain [Dictyostelium discoideum AX4]" . . . . . 94.03 4730 100.00 100.00 7.48e-77 . . . . 16781 1 5 no REF XP_643185 . "cytoplasmic dynein heavy chain [Dictyostelium discoideum AX4]" . . . . . 94.03 4730 100.00 100.00 7.48e-77 . . . . 16781 1 6 no SP P34036 . "RecName: Full=Dynein heavy chain, cytoplasmic; AltName: Full=Dynein heavy chain, cytosolic; Short=DYHC" . . . . . 94.03 4730 100.00 100.00 7.48e-77 . . . . 16781 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'microtubule transport' 16781 1 'molecular motor' 16781 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 -7 GLY . 16781 1 2 -6 SER . 16781 1 3 -5 HIS . 16781 1 4 -4 MET . 16781 1 5 -3 LEU . 16781 1 6 -2 GLU . 16781 1 7 -1 ASP . 16781 1 8 0 PRO . 16781 1 9 1 PRO . 16781 1 10 2 ALA . 16781 1 11 3 ILE . 16781 1 12 4 ILE . 16781 1 13 5 GLU . 16781 1 14 6 ALA . 16781 1 15 7 GLN . 16781 1 16 8 GLU . 16781 1 17 9 ALA . 16781 1 18 10 VAL . 16781 1 19 11 SER . 16781 1 20 12 THR . 16781 1 21 13 ILE . 16781 1 22 14 LYS . 16781 1 23 15 LYS . 16781 1 24 16 LYS . 16781 1 25 17 HIS . 16781 1 26 18 LEU . 16781 1 27 19 ASP . 16781 1 28 20 GLU . 16781 1 29 21 ILE . 16781 1 30 22 LYS . 16781 1 31 23 SER . 16781 1 32 24 LEU . 16781 1 33 25 PRO . 16781 1 34 26 LYS . 16781 1 35 27 PRO . 16781 1 36 28 PRO . 16781 1 37 29 THR . 16781 1 38 30 PRO . 16781 1 39 31 VAL . 16781 1 40 32 LYS . 16781 1 41 33 LEU . 16781 1 42 34 ALA . 16781 1 43 35 MET . 16781 1 44 36 GLU . 16781 1 45 37 ALA . 16781 1 46 38 VAL . 16781 1 47 39 CYS . 16781 1 48 40 LEU . 16781 1 49 41 MET . 16781 1 50 42 LEU . 16781 1 51 43 GLY . 16781 1 52 44 GLY . 16781 1 53 45 LYS . 16781 1 54 46 LYS . 16781 1 55 47 LEU . 16781 1 56 48 GLU . 16781 1 57 49 TRP . 16781 1 58 50 ALA . 16781 1 59 51 ASP . 16781 1 60 52 ILE . 16781 1 61 53 ARG . 16781 1 62 54 LYS . 16781 1 63 55 LYS . 16781 1 64 56 ILE . 16781 1 65 57 MET . 16781 1 66 58 GLU . 16781 1 67 59 PRO . 16781 1 68 60 ASN . 16781 1 69 61 PHE . 16781 1 70 62 ILE . 16781 1 71 63 THR . 16781 1 72 64 SER . 16781 1 73 65 ILE . 16781 1 74 66 ILE . 16781 1 75 67 ASN . 16781 1 76 68 TYR . 16781 1 77 69 ASP . 16781 1 78 70 THR . 16781 1 79 71 LYS . 16781 1 80 72 LYS . 16781 1 81 73 MET . 16781 1 82 74 MET . 16781 1 83 75 THR . 16781 1 84 76 PRO . 16781 1 85 77 LYS . 16781 1 86 78 ILE . 16781 1 87 79 ARG . 16781 1 88 80 GLU . 16781 1 89 81 ALA . 16781 1 90 82 ILE . 16781 1 91 83 THR . 16781 1 92 84 LYS . 16781 1 93 85 GLY . 16781 1 94 86 TYR . 16781 1 95 87 LEU . 16781 1 96 88 GLU . 16781 1 97 89 ASP . 16781 1 98 90 PRO . 16781 1 99 91 GLY . 16781 1 100 92 PHE . 16781 1 101 93 ASP . 16781 1 102 94 TYR . 16781 1 103 95 GLU . 16781 1 104 96 THR . 16781 1 105 97 VAL . 16781 1 106 98 ASN . 16781 1 107 99 ARG . 16781 1 108 100 ALA . 16781 1 109 101 SER . 16781 1 110 102 LYS . 16781 1 111 103 ALA . 16781 1 112 104 CYS . 16781 1 113 105 GLY . 16781 1 114 106 PRO . 16781 1 115 107 LEU . 16781 1 116 108 VAL . 16781 1 117 109 LYS . 16781 1 118 110 TRP . 16781 1 119 111 ALA . 16781 1 120 112 THR . 16781 1 121 113 ALA . 16781 1 122 114 GLN . 16781 1 123 115 THR . 16781 1 124 116 TYR . 16781 1 125 117 TYR . 16781 1 126 118 SER . 16781 1 127 119 GLU . 16781 1 128 120 ILE . 16781 1 129 121 LEU . 16781 1 130 122 ASP . 16781 1 131 123 ARG . 16781 1 132 124 ILE . 16781 1 133 125 LYS . 16781 1 134 126 PRO . 16781 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16781 1 . SER 2 2 16781 1 . HIS 3 3 16781 1 . MET 4 4 16781 1 . LEU 5 5 16781 1 . GLU 6 6 16781 1 . ASP 7 7 16781 1 . PRO 8 8 16781 1 . PRO 9 9 16781 1 . ALA 10 10 16781 1 . ILE 11 11 16781 1 . ILE 12 12 16781 1 . GLU 13 13 16781 1 . ALA 14 14 16781 1 . GLN 15 15 16781 1 . GLU 16 16 16781 1 . ALA 17 17 16781 1 . VAL 18 18 16781 1 . SER 19 19 16781 1 . THR 20 20 16781 1 . ILE 21 21 16781 1 . LYS 22 22 16781 1 . LYS 23 23 16781 1 . LYS 24 24 16781 1 . HIS 25 25 16781 1 . LEU 26 26 16781 1 . ASP 27 27 16781 1 . GLU 28 28 16781 1 . ILE 29 29 16781 1 . LYS 30 30 16781 1 . SER 31 31 16781 1 . LEU 32 32 16781 1 . PRO 33 33 16781 1 . LYS 34 34 16781 1 . PRO 35 35 16781 1 . PRO 36 36 16781 1 . THR 37 37 16781 1 . PRO 38 38 16781 1 . VAL 39 39 16781 1 . LYS 40 40 16781 1 . LEU 41 41 16781 1 . ALA 42 42 16781 1 . MET 43 43 16781 1 . GLU 44 44 16781 1 . ALA 45 45 16781 1 . VAL 46 46 16781 1 . CYS 47 47 16781 1 . LEU 48 48 16781 1 . MET 49 49 16781 1 . LEU 50 50 16781 1 . GLY 51 51 16781 1 . GLY 52 52 16781 1 . LYS 53 53 16781 1 . LYS 54 54 16781 1 . LEU 55 55 16781 1 . GLU 56 56 16781 1 . TRP 57 57 16781 1 . ALA 58 58 16781 1 . ASP 59 59 16781 1 . ILE 60 60 16781 1 . ARG 61 61 16781 1 . LYS 62 62 16781 1 . LYS 63 63 16781 1 . ILE 64 64 16781 1 . MET 65 65 16781 1 . GLU 66 66 16781 1 . PRO 67 67 16781 1 . ASN 68 68 16781 1 . PHE 69 69 16781 1 . ILE 70 70 16781 1 . THR 71 71 16781 1 . SER 72 72 16781 1 . ILE 73 73 16781 1 . ILE 74 74 16781 1 . ASN 75 75 16781 1 . TYR 76 76 16781 1 . ASP 77 77 16781 1 . THR 78 78 16781 1 . LYS 79 79 16781 1 . LYS 80 80 16781 1 . MET 81 81 16781 1 . MET 82 82 16781 1 . THR 83 83 16781 1 . PRO 84 84 16781 1 . LYS 85 85 16781 1 . ILE 86 86 16781 1 . ARG 87 87 16781 1 . GLU 88 88 16781 1 . ALA 89 89 16781 1 . ILE 90 90 16781 1 . THR 91 91 16781 1 . LYS 92 92 16781 1 . GLY 93 93 16781 1 . TYR 94 94 16781 1 . LEU 95 95 16781 1 . GLU 96 96 16781 1 . ASP 97 97 16781 1 . PRO 98 98 16781 1 . GLY 99 99 16781 1 . PHE 100 100 16781 1 . ASP 101 101 16781 1 . TYR 102 102 16781 1 . GLU 103 103 16781 1 . THR 104 104 16781 1 . VAL 105 105 16781 1 . ASN 106 106 16781 1 . ARG 107 107 16781 1 . ALA 108 108 16781 1 . SER 109 109 16781 1 . LYS 110 110 16781 1 . ALA 111 111 16781 1 . CYS 112 112 16781 1 . GLY 113 113 16781 1 . PRO 114 114 16781 1 . LEU 115 115 16781 1 . VAL 116 116 16781 1 . LYS 117 117 16781 1 . TRP 118 118 16781 1 . ALA 119 119 16781 1 . THR 120 120 16781 1 . ALA 121 121 16781 1 . GLN 122 122 16781 1 . THR 123 123 16781 1 . TYR 124 124 16781 1 . TYR 125 125 16781 1 . SER 126 126 16781 1 . GLU 127 127 16781 1 . ILE 128 128 16781 1 . LEU 129 129 16781 1 . ASP 130 130 16781 1 . ARG 131 131 16781 1 . ILE 132 132 16781 1 . LYS 133 133 16781 1 . PRO 134 134 16781 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 16781 _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 $dynein_microtubule_binding_domain . 44689 organism . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . . . . . . . . . . . 16781 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 16781 _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 $dynein_microtubule_binding_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3)pLysS . . . . . . . . . . . . . . pET14b . . . . . . 16781 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16781 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dynein microtubule binding domain' '[U-99% 13C; U-99% 15N]' . . 1 $dynein_microtubule_binding_domain . . 0.5 . . mM . . . . 16781 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16781 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16781 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16781 1 5 PIPES-d18 'natural abundance' . . . . . . 20 . . mM . . . . 16781 1 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 16781 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16781 _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' 150 . mM 16781 1 pH 6.50 . pH 16781 1 pressure 1 . atm 16781 1 temperature 293 . K 16781 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16781 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16781 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16781 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16781 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16781 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16781 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16781 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16781 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16781 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16781 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16781 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16781 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16781 _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 protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16781 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16781 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16781 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16781 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 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 '2D 1H-15N HSQC' . . . 16781 1 2 '3D CBCA(CO)NH' . . . 16781 1 3 '3D HNCO' . . . 16781 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 16781 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 9 9 PRO C C 13 175.61 0.2 . 1 . . . . 1 P C . 16781 1 2 . 1 1 9 9 PRO CA C 13 62.72 0.2 . 1 . . . . 1 P CA . 16781 1 3 . 1 1 9 9 PRO CB C 13 35.60 0.2 . 1 . . . . 1 P CB . 16781 1 4 . 1 1 10 10 ALA H H 1 8.494 0.01 . 1 . . . . 2 A H . 16781 1 5 . 1 1 10 10 ALA C C 13 172.45 0.2 . 1 . . . . 2 A C . 16781 1 6 . 1 1 10 10 ALA CA C 13 54.77 0.2 . 1 . . . . 2 A CA . 16781 1 7 . 1 1 10 10 ALA CB C 13 18.67 0.2 . 1 . . . . 2 A CB . 16781 1 8 . 1 1 10 10 ALA N N 15 117.96 0.2 . 1 . . . . 2 A N . 16781 1 9 . 1 1 11 11 ILE H H 1 7.304 0.01 . 1 . . . . 3 I H . 16781 1 10 . 1 1 11 11 ILE C C 13 176.31 0.2 . 1 . . . . 3 I C . 16781 1 11 . 1 1 11 11 ILE CA C 13 62.12 0.2 . 1 . . . . 3 I CA . 16781 1 12 . 1 1 11 11 ILE CB C 13 35.92 0.2 . 1 . . . . 3 I CB . 16781 1 13 . 1 1 11 11 ILE N N 15 118.23 0.2 . 1 . . . . 3 I N . 16781 1 14 . 1 1 12 12 ILE H H 1 7.408 0.01 . 1 . . . . 4 I H . 16781 1 15 . 1 1 12 12 ILE C C 13 174.65 0.2 . 1 . . . . 4 I C . 16781 1 16 . 1 1 12 12 ILE CA C 13 64.17 0.2 . 1 . . . . 4 I CA . 16781 1 17 . 1 1 12 12 ILE CB C 13 37.72 0.2 . 1 . . . . 4 I CB . 16781 1 18 . 1 1 12 12 ILE N N 15 122.12 0.2 . 1 . . . . 4 I N . 16781 1 19 . 1 1 13 13 GLU H H 1 8.235 0.01 . 1 . . . . 5 E H . 16781 1 20 . 1 1 13 13 GLU C C 13 173.84 0.2 . 1 . . . . 5 E C . 16781 1 21 . 1 1 13 13 GLU CA C 13 59.30 0.2 . 1 . . . . 5 E CA . 16781 1 22 . 1 1 13 13 GLU CB C 13 29.46 0.2 . 1 . . . . 5 E CB . 16781 1 23 . 1 1 13 13 GLU N N 15 118.75 0.2 . 1 . . . . 5 E N . 16781 1 24 . 1 1 14 14 ALA H H 1 7.576 0.01 . 1 . . . . 6 A H . 16781 1 25 . 1 1 14 14 ALA C C 13 174.19 0.2 . 1 . . . . 6 A C . 16781 1 26 . 1 1 14 14 ALA CA C 13 55.17 0.2 . 1 . . . . 6 A CA . 16781 1 27 . 1 1 14 14 ALA CB C 13 18.17 0.2 . 1 . . . . 6 A CB . 16781 1 28 . 1 1 14 14 ALA N N 15 121.67 0.2 . 1 . . . . 6 A N . 16781 1 29 . 1 1 15 15 GLN H H 1 8.630 0.01 . 1 . . . . 7 Q H . 16781 1 30 . 1 1 15 15 GLN C C 13 174.71 0.2 . 1 . . . . 7 Q C . 16781 1 31 . 1 1 15 15 GLN CA C 13 59.78 0.2 . 1 . . . . 7 Q CA . 16781 1 32 . 1 1 15 15 GLN CB C 13 28.33 0.2 . 1 . . . . 7 Q CB . 16781 1 33 . 1 1 15 15 GLN N N 15 118.67 0.2 . 1 . . . . 7 Q N . 16781 1 34 . 1 1 16 16 GLU H H 1 8.135 0.01 . 1 . . . . 8 E H . 16781 1 35 . 1 1 16 16 GLU C C 13 173.94 0.2 . 1 . . . . 8 E C . 16781 1 36 . 1 1 16 16 GLU CA C 13 59.28 0.2 . 1 . . . . 8 E CA . 16781 1 37 . 1 1 16 16 GLU CB C 13 28.92 0.2 . 1 . . . . 8 E CB . 16781 1 38 . 1 1 16 16 GLU N N 15 119.85 0.2 . 1 . . . . 8 E N . 16781 1 39 . 1 1 17 17 ALA H H 1 7.759 0.01 . 1 . . . . 9 A H . 16781 1 40 . 1 1 17 17 ALA C C 13 172.61 0.2 . 1 . . . . 9 A C . 16781 1 41 . 1 1 17 17 ALA CA C 13 55.10 0.2 . 1 . . . . 9 A CA . 16781 1 42 . 1 1 17 17 ALA CB C 13 17.60 0.2 . 1 . . . . 9 A CB . 16781 1 43 . 1 1 17 17 ALA N N 15 121.99 0.2 . 1 . . . . 9 A N . 16781 1 44 . 1 1 18 18 VAL H H 1 8.527 0.01 . 1 . . . . 10 V H . 16781 1 45 . 1 1 18 18 VAL C C 13 176.31 0.2 . 1 . . . . 10 V C . 16781 1 46 . 1 1 18 18 VAL CA C 13 66.00 0.2 . 1 . . . . 10 V CA . 16781 1 47 . 1 1 18 18 VAL CB C 13 31.29 0.2 . 1 . . . . 10 V CB . 16781 1 48 . 1 1 18 18 VAL N N 15 120.42 0.2 . 1 . . . . 10 V N . 16781 1 49 . 1 1 19 19 SER H H 1 7.829 0.01 . 1 . . . . 11 S H . 16781 1 50 . 1 1 19 19 SER C C 13 178.80 0.2 . 1 . . . . 11 S C . 16781 1 51 . 1 1 19 19 SER CA C 13 61.25 0.2 . 1 . . . . 11 S CA . 16781 1 52 . 1 1 19 19 SER CB C 13 63.16 0.2 . 1 . . . . 11 S CB . 16781 1 53 . 1 1 19 19 SER N N 15 114.04 0.2 . 1 . . . . 11 S N . 16781 1 54 . 1 1 20 20 THR H H 1 7.305 0.01 . 1 . . . . 12 T H . 16781 1 55 . 1 1 20 20 THR C C 13 178.79 0.2 . 1 . . . . 12 T C . 16781 1 56 . 1 1 20 20 THR CA C 13 62.31 0.2 . 1 . . . . 12 T CA . 16781 1 57 . 1 1 20 20 THR CB C 13 70.24 0.2 . 1 . . . . 12 T CB . 16781 1 58 . 1 1 20 20 THR N N 15 110.42 0.2 . 1 . . . . 12 T N . 16781 1 59 . 1 1 21 21 ILE H H 1 7.507 0.01 . 1 . . . . 13 I H . 16781 1 60 . 1 1 21 21 ILE C C 13 177.45 0.2 . 1 . . . . 13 I C . 16781 1 61 . 1 1 21 21 ILE CA C 13 63.22 0.2 . 1 . . . . 13 I CA . 16781 1 62 . 1 1 21 21 ILE CB C 13 37.92 0.2 . 1 . . . . 13 I CB . 16781 1 63 . 1 1 21 21 ILE N N 15 124.04 0.2 . 1 . . . . 13 I N . 16781 1 64 . 1 1 22 22 LYS H H 1 9.801 0.01 . 1 . . . . 14 K H . 16781 1 65 . 1 1 22 22 LYS C C 13 175.75 0.2 . 1 . . . . 14 K C . 16781 1 66 . 1 1 22 22 LYS CA C 13 54.10 0.2 . 1 . . . . 14 K CA . 16781 1 67 . 1 1 22 22 LYS CB C 13 33.71 0.2 . 1 . . . . 14 K CB . 16781 1 68 . 1 1 22 22 LYS N N 15 129.86 0.2 . 1 . . . . 14 K N . 16781 1 69 . 1 1 23 23 LYS H H 1 8.670 0.01 . 1 . . . . 15 K H . 16781 1 70 . 1 1 23 23 LYS C C 13 175.17 0.2 . 1 . . . . 15 K C . 16781 1 71 . 1 1 23 23 LYS CA C 13 60.32 0.2 . 1 . . . . 15 K CA . 16781 1 72 . 1 1 23 23 LYS CB C 13 31.74 0.2 . 1 . . . . 15 K CB . 16781 1 73 . 1 1 23 23 LYS N N 15 124.99 0.2 . 1 . . . . 15 K N . 16781 1 74 . 1 1 24 24 LYS H H 1 8.346 0.01 . 1 . . . . 16 K H . 16781 1 75 . 1 1 24 24 LYS C C 13 175.14 0.2 . 1 . . . . 16 K C . 16781 1 76 . 1 1 24 24 LYS CA C 13 58.83 0.2 . 1 . . . . 16 K CA . 16781 1 77 . 1 1 24 24 LYS CB C 13 31.72 0.2 . 1 . . . . 16 K CB . 16781 1 78 . 1 1 24 24 LYS N N 15 115.66 0.2 . 1 . . . . 16 K N . 16781 1 79 . 1 1 25 25 HIS H H 1 7.082 0.01 . 1 . . . . 17 H H . 16781 1 80 . 1 1 25 25 HIS C C 13 174.15 0.2 . 1 . . . . 17 H C . 16781 1 81 . 1 1 25 25 HIS CA C 13 58.45 0.2 . 1 . . . . 17 H CA . 16781 1 82 . 1 1 25 25 HIS CB C 13 31.79 0.2 . 1 . . . . 17 H CB . 16781 1 83 . 1 1 25 25 HIS N N 15 118.07 0.2 . 1 . . . . 17 H N . 16781 1 84 . 1 1 26 26 LEU H H 1 7.424 0.01 . 1 . . . . 18 L H . 16781 1 85 . 1 1 26 26 LEU C C 13 175.06 0.2 . 1 . . . . 18 L C . 16781 1 86 . 1 1 26 26 LEU CA C 13 57.51 0.2 . 1 . . . . 18 L CA . 16781 1 87 . 1 1 26 26 LEU CB C 13 40.68 0.2 . 1 . . . . 18 L CB . 16781 1 88 . 1 1 26 26 LEU N N 15 120.77 0.2 . 1 . . . . 18 L N . 16781 1 89 . 1 1 27 27 ASP H H 1 8.659 0.01 . 1 . . . . 19 D H . 16781 1 90 . 1 1 27 27 ASP C C 13 174.37 0.2 . 1 . . . . 19 D C . 16781 1 91 . 1 1 27 27 ASP CA C 13 57.15 0.2 . 1 . . . . 19 D CA . 16781 1 92 . 1 1 27 27 ASP CB C 13 40.55 0.2 . 1 . . . . 19 D CB . 16781 1 93 . 1 1 27 27 ASP N N 15 120.89 0.2 . 1 . . . . 19 D N . 16781 1 94 . 1 1 28 28 GLU H H 1 7.511 0.01 . 1 . . . . 20 E H . 16781 1 95 . 1 1 28 28 GLU C C 13 174.36 0.2 . 1 . . . . 20 E C . 16781 1 96 . 1 1 28 28 GLU CA C 13 59.02 0.2 . 1 . . . . 20 E CA . 16781 1 97 . 1 1 28 28 GLU CB C 13 29.50 0.2 . 1 . . . . 20 E CB . 16781 1 98 . 1 1 28 28 GLU N N 15 118.67 0.2 . 1 . . . . 20 E N . 16781 1 99 . 1 1 29 29 ILE H H 1 7.199 0.01 . 1 . . . . 21 I H . 16781 1 100 . 1 1 29 29 ILE C C 13 175.72 0.2 . 1 . . . . 21 I C . 16781 1 101 . 1 1 29 29 ILE CA C 13 64.17 0.2 . 1 . . . . 21 I CA . 16781 1 102 . 1 1 29 29 ILE CB C 13 37.72 0.2 . 1 . . . . 21 I CB . 16781 1 103 . 1 1 29 29 ILE N N 15 118.39 0.2 . 1 . . . . 21 I N . 16781 1 104 . 1 1 30 30 LYS H H 1 8.255 0.01 . 1 . . . . 22 K H . 16781 1 105 . 1 1 30 30 LYS C C 13 176.66 0.2 . 1 . . . . 22 K C . 16781 1 106 . 1 1 30 30 LYS CA C 13 58.95 0.2 . 1 . . . . 22 K CA . 16781 1 107 . 1 1 30 30 LYS CB C 13 31.35 0.2 . 1 . . . . 22 K CB . 16781 1 108 . 1 1 30 30 LYS N N 15 119.13 0.2 . 1 . . . . 22 K N . 16781 1 109 . 1 1 31 31 SER H H 1 7.515 0.01 . 1 . . . . 23 S H . 16781 1 110 . 1 1 31 31 SER C C 13 179.49 0.2 . 1 . . . . 23 S C . 16781 1 111 . 1 1 31 31 SER CA C 13 59.32 0.2 . 1 . . . . 23 S CA . 16781 1 112 . 1 1 31 31 SER CB C 13 64.14 0.2 . 1 . . . . 23 S CB . 16781 1 113 . 1 1 31 31 SER N N 15 112.64 0.2 . 1 . . . . 23 S N . 16781 1 114 . 1 1 32 32 LEU H H 1 7.396 0.01 . 1 . . . . 24 L H . 16781 1 115 . 1 1 32 32 LEU C C 13 177.31 0.2 . 1 . . . . 24 L C . 16781 1 116 . 1 1 32 32 LEU CA C 13 53.23 0.2 . 1 . . . . 24 L CA . 16781 1 117 . 1 1 32 32 LEU CB C 13 42.41 0.2 . 1 . . . . 24 L CB . 16781 1 118 . 1 1 32 32 LEU N N 15 123.76 0.2 . 1 . . . . 24 L N . 16781 1 119 . 1 1 33 33 PRO C C 13 176.31 0.2 . 1 . . . . 25 P C . 16781 1 120 . 1 1 33 33 PRO CA C 13 64.54 0.2 . 1 . . . . 25 P CA . 16781 1 121 . 1 1 33 33 PRO CB C 13 31.96 0.2 . 1 . . . . 25 P CB . 16781 1 122 . 1 1 34 34 LYS H H 1 7.154 0.01 . 1 . . . . 26 K H . 16781 1 123 . 1 1 34 34 LYS C C 13 180.80 0.2 . 1 . . . . 26 K C . 16781 1 124 . 1 1 34 34 LYS CA C 13 52.91 0.2 . 1 . . . . 26 K CA . 16781 1 125 . 1 1 34 34 LYS CB C 13 33.72 0.2 . 1 . . . . 26 K CB . 16781 1 126 . 1 1 34 34 LYS N N 15 115.21 0.2 . 1 . . . . 26 K N . 16781 1 127 . 1 1 36 36 PRO C C 13 176.24 0.2 . 1 . . . . 28 P C . 16781 1 128 . 1 1 36 36 PRO CA C 13 62.05 0.2 . 1 . . . . 28 P CA . 16781 1 129 . 1 1 36 36 PRO CB C 13 32.72 0.2 . 1 . . . . 28 P CB . 16781 1 130 . 1 1 37 37 THR H H 1 9.047 0.01 . 1 . . . . 29 T H . 16781 1 131 . 1 1 37 37 THR CA C 13 68.90 0.2 . 1 . . . . 29 T CA . 16781 1 132 . 1 1 37 37 THR CB C 13 67.06 0.2 . 1 . . . . 29 T CB . 16781 1 133 . 1 1 37 37 THR N N 15 121.47 0.2 . 1 . . . . 29 T N . 16781 1 134 . 1 1 38 38 PRO C C 13 175.47 0.2 . 1 . . . . 30 P C . 16781 1 135 . 1 1 38 38 PRO CA C 13 66.52 0.2 . 1 . . . . 30 P CA . 16781 1 136 . 1 1 38 38 PRO CB C 13 32.60 0.2 . 1 . . . . 30 P CB . 16781 1 137 . 1 1 39 39 VAL H H 1 6.313 0.01 . 1 . . . . 31 V H . 16781 1 138 . 1 1 39 39 VAL C C 13 176.81 0.2 . 1 . . . . 31 V C . 16781 1 139 . 1 1 39 39 VAL CA C 13 64.94 0.2 . 1 . . . . 31 V CA . 16781 1 140 . 1 1 39 39 VAL CB C 13 32.22 0.2 . 1 . . . . 31 V CB . 16781 1 141 . 1 1 39 39 VAL N N 15 113.27 0.2 . 1 . . . . 31 V N . 16781 1 142 . 1 1 40 40 LYS H H 1 7.572 0.01 . 1 . . . . 32 K H . 16781 1 143 . 1 1 40 40 LYS C C 13 175.26 0.2 . 1 . . . . 32 K C . 16781 1 144 . 1 1 40 40 LYS CA C 13 60.23 0.2 . 1 . . . . 32 K CA . 16781 1 145 . 1 1 40 40 LYS CB C 13 32.59 0.2 . 1 . . . . 32 K CB . 16781 1 146 . 1 1 40 40 LYS N N 15 119.71 0.2 . 1 . . . . 32 K N . 16781 1 147 . 1 1 41 41 LEU H H 1 8.516 0.01 . 1 . . . . 33 L H . 16781 1 148 . 1 1 41 41 LEU C C 13 174.79 0.2 . 1 . . . . 33 L C . 16781 1 149 . 1 1 41 41 LEU CA C 13 58.37 0.2 . 1 . . . . 33 L CA . 16781 1 150 . 1 1 41 41 LEU CB C 13 43.41 0.2 . 1 . . . . 33 L CB . 16781 1 151 . 1 1 41 41 LEU N N 15 115.53 0.2 . 1 . . . . 33 L N . 16781 1 152 . 1 1 42 42 ALA H H 1 7.722 0.01 . 1 . . . . 34 A H . 16781 1 153 . 1 1 42 42 ALA C C 13 174.26 0.2 . 1 . . . . 34 A C . 16781 1 154 . 1 1 42 42 ALA CA C 13 56.01 0.2 . 1 . . . . 34 A CA . 16781 1 155 . 1 1 42 42 ALA CB C 13 18.62 0.2 . 1 . . . . 34 A CB . 16781 1 156 . 1 1 42 42 ALA N N 15 118.54 0.2 . 1 . . . . 34 A N . 16781 1 157 . 1 1 43 43 MET H H 1 8.106 0.01 . 1 . . . . 35 M H . 16781 1 158 . 1 1 43 43 MET C C 13 174.21 0.2 . 1 . . . . 35 M C . 16781 1 159 . 1 1 43 43 MET CA C 13 56.69 0.2 . 1 . . . . 35 M CA . 16781 1 160 . 1 1 43 43 MET CB C 13 32.29 0.2 . 1 . . . . 35 M CB . 16781 1 161 . 1 1 43 43 MET N N 15 111.74 0.2 . 1 . . . . 35 M N . 16781 1 162 . 1 1 44 44 GLU H H 1 9.189 0.01 . 1 . . . . 36 E H . 16781 1 163 . 1 1 44 44 GLU C C 13 173.45 0.2 . 1 . . . . 36 E C . 16781 1 164 . 1 1 44 44 GLU CA C 13 59.91 0.2 . 1 . . . . 36 E CA . 16781 1 165 . 1 1 44 44 GLU CB C 13 31.16 0.2 . 1 . . . . 36 E CB . 16781 1 166 . 1 1 44 44 GLU N N 15 121.87 0.2 . 1 . . . . 36 E N . 16781 1 167 . 1 1 45 45 ALA H H 1 8.052 0.01 . 1 . . . . 37 A H . 16781 1 168 . 1 1 45 45 ALA C C 13 174.29 0.2 . 1 . . . . 37 A C . 16781 1 169 . 1 1 45 45 ALA CA C 13 55.51 0.2 . 1 . . . . 37 A CA . 16781 1 170 . 1 1 45 45 ALA CB C 13 17.55 0.2 . 1 . . . . 37 A CB . 16781 1 171 . 1 1 45 45 ALA N N 15 121.11 0.2 . 1 . . . . 37 A N . 16781 1 172 . 1 1 46 46 VAL H H 1 7.664 0.01 . 1 . . . . 38 V H . 16781 1 173 . 1 1 46 46 VAL C C 13 175.17 0.2 . 1 . . . . 38 V C . 16781 1 174 . 1 1 46 46 VAL CA C 13 66.85 0.2 . 1 . . . . 38 V CA . 16781 1 175 . 1 1 46 46 VAL CB C 13 31.74 0.2 . 1 . . . . 38 V CB . 16781 1 176 . 1 1 46 46 VAL N N 15 115.04 0.2 . 1 . . . . 38 V N . 16781 1 177 . 1 1 47 47 CYS H H 1 8.360 0.01 . 1 . . . . 39 C H . 16781 1 178 . 1 1 47 47 CYS C C 13 175.32 0.2 . 1 . . . . 39 C C . 16781 1 179 . 1 1 47 47 CYS CA C 13 65.55 0.2 . 1 . . . . 39 C CA . 16781 1 180 . 1 1 47 47 CYS CB C 13 26.56 0.2 . 1 . . . . 39 C CB . 16781 1 181 . 1 1 47 47 CYS N N 15 115.87 0.2 . 1 . . . . 39 C N . 16781 1 182 . 1 1 48 48 LEU H H 1 8.110 0.01 . 1 . . . . 40 L H . 16781 1 183 . 1 1 48 48 LEU C C 13 174.88 0.2 . 1 . . . . 40 L C . 16781 1 184 . 1 1 48 48 LEU CA C 13 58.57 0.2 . 1 . . . . 40 L CA . 16781 1 185 . 1 1 48 48 LEU CB C 13 42.08 0.2 . 1 . . . . 40 L CB . 16781 1 186 . 1 1 48 48 LEU N N 15 126.09 0.2 . 1 . . . . 40 L N . 16781 1 187 . 1 1 49 49 MET H H 1 7.878 0.01 . 1 . . . . 41 M H . 16781 1 188 . 1 1 49 49 MET C C 13 174.16 0.2 . 1 . . . . 41 M C . 16781 1 189 . 1 1 49 49 MET CA C 13 59.89 0.2 . 1 . . . . 41 M CA . 16781 1 190 . 1 1 49 49 MET CB C 13 32.99 0.2 . 1 . . . . 41 M CB . 16781 1 191 . 1 1 49 49 MET N N 15 118.73 0.2 . 1 . . . . 41 M N . 16781 1 192 . 1 1 50 50 LEU H H 1 8.102 0.01 . 1 . . . . 42 L H . 16781 1 193 . 1 1 50 50 LEU C C 13 175.17 0.2 . 1 . . . . 42 L C . 16781 1 194 . 1 1 50 50 LEU CA C 13 57.09 0.2 . 1 . . . . 42 L CA . 16781 1 195 . 1 1 50 50 LEU CB C 13 43.41 0.2 . 1 . . . . 42 L CB . 16781 1 196 . 1 1 50 50 LEU N N 15 117.54 0.2 . 1 . . . . 42 L N . 16781 1 197 . 1 1 51 51 GLY H H 1 7.802 0.01 . 1 . . . . 43 G H . 16781 1 198 . 1 1 51 51 GLY C C 13 178.02 0.2 . 1 . . . . 43 G C . 16781 1 199 . 1 1 51 51 GLY CA C 13 45.42 0.2 . 1 . . . . 43 G CA . 16781 1 200 . 1 1 51 51 GLY N N 15 102.94 0.2 . 1 . . . . 43 G N . 16781 1 201 . 1 1 52 52 GLY H H 1 8.558 0.01 . 1 . . . . 44 G H . 16781 1 202 . 1 1 52 52 GLY C C 13 180.22 0.2 . 1 . . . . 44 G C . 16781 1 203 . 1 1 52 52 GLY CA C 13 46.16 0.2 . 1 . . . . 44 G CA . 16781 1 204 . 1 1 52 52 GLY N N 15 109.64 0.2 . 1 . . . . 44 G N . 16781 1 205 . 1 1 53 53 LYS H H 1 7.674 0.01 . 1 . . . . 45 K H . 16781 1 206 . 1 1 53 53 LYS C C 13 177.80 0.2 . 1 . . . . 45 K C . 16781 1 207 . 1 1 53 53 LYS CA C 13 54.62 0.2 . 1 . . . . 45 K CA . 16781 1 208 . 1 1 53 53 LYS CB C 13 35.94 0.2 . 1 . . . . 45 K CB . 16781 1 209 . 1 1 53 53 LYS N N 15 117.44 0.2 . 1 . . . . 45 K N . 16781 1 210 . 1 1 54 54 LYS H H 1 8.834 0.01 . 1 . . . . 46 K H . 16781 1 211 . 1 1 54 54 LYS C C 13 178.41 0.2 . 1 . . . . 46 K C . 16781 1 212 . 1 1 54 54 LYS CA C 13 56.93 0.2 . 1 . . . . 46 K CA . 16781 1 213 . 1 1 54 54 LYS CB C 13 31.85 0.2 . 1 . . . . 46 K CB . 16781 1 214 . 1 1 54 54 LYS N N 15 126.38 0.2 . 1 . . . . 46 K N . 16781 1 215 . 1 1 55 55 LEU H H 1 8.213 0.01 . 1 . . . . 47 L H . 16781 1 216 . 1 1 55 55 LEU C C 13 176.42 0.2 . 1 . . . . 47 L C . 16781 1 217 . 1 1 55 55 LEU CA C 13 53.32 0.2 . 1 . . . . 47 L CA . 16781 1 218 . 1 1 55 55 LEU CB C 13 44.41 0.2 . 1 . . . . 47 L CB . 16781 1 219 . 1 1 55 55 LEU N N 15 128.75 0.2 . 1 . . . . 47 L N . 16781 1 220 . 1 1 56 56 GLU H H 1 8.864 0.01 . 1 . . . . 48 E H . 16781 1 221 . 1 1 56 56 GLU C C 13 175.01 0.2 . 1 . . . . 48 E C . 16781 1 222 . 1 1 56 56 GLU CA C 13 55.29 0.2 . 1 . . . . 48 E CA . 16781 1 223 . 1 1 56 56 GLU CB C 13 30.24 0.2 . 1 . . . . 48 E CB . 16781 1 224 . 1 1 56 56 GLU N N 15 119.22 0.2 . 1 . . . . 48 E N . 16781 1 225 . 1 1 57 57 TRP H H 1 9.071 0.01 . 1 . . . . 49 W H . 16781 1 226 . 1 1 57 57 TRP C C 13 176.83 0.2 . 1 . . . . 49 W C . 16781 1 227 . 1 1 57 57 TRP CA C 13 60.45 0.2 . 1 . . . . 49 W CA . 16781 1 228 . 1 1 57 57 TRP CB C 13 29.39 0.2 . 1 . . . . 49 W CB . 16781 1 229 . 1 1 57 57 TRP N N 15 124.34 0.2 . 1 . . . . 49 W N . 16781 1 230 . 1 1 58 58 ALA H H 1 8.878 0.01 . 1 . . . . 50 A H . 16781 1 231 . 1 1 58 58 ALA C C 13 173.35 0.2 . 1 . . . . 50 A C . 16781 1 232 . 1 1 58 58 ALA CA C 13 55.50 0.2 . 1 . . . . 50 A CA . 16781 1 233 . 1 1 58 58 ALA CB C 13 18.46 0.2 . 1 . . . . 50 A CB . 16781 1 234 . 1 1 58 58 ALA N N 15 117.68 0.2 . 1 . . . . 50 A N . 16781 1 235 . 1 1 59 59 ASP H H 1 6.962 0.01 . 1 . . . . 51 D H . 16781 1 236 . 1 1 59 59 ASP C C 13 174.51 0.2 . 1 . . . . 51 D C . 16781 1 237 . 1 1 59 59 ASP CA C 13 56.52 0.2 . 1 . . . . 51 D CA . 16781 1 238 . 1 1 59 59 ASP CB C 13 41.91 0.2 . 1 . . . . 51 D CB . 16781 1 239 . 1 1 59 59 ASP N N 15 114.49 0.2 . 1 . . . . 51 D N . 16781 1 240 . 1 1 60 60 ILE H H 1 7.803 0.01 . 1 . . . . 52 I H . 16781 1 241 . 1 1 60 60 ILE C C 13 176.55 0.2 . 1 . . . . 52 I C . 16781 1 242 . 1 1 60 60 ILE CA C 13 66.05 0.2 . 1 . . . . 52 I CA . 16781 1 243 . 1 1 60 60 ILE CB C 13 36.80 0.2 . 1 . . . . 52 I CB . 16781 1 244 . 1 1 60 60 ILE N N 15 126.38 0.2 . 1 . . . . 52 I N . 16781 1 245 . 1 1 61 61 ARG H H 1 7.724 0.01 . 1 . . . . 53 R H . 16781 1 246 . 1 1 61 61 ARG C C 13 176.54 0.2 . 1 . . . . 53 R C . 16781 1 247 . 1 1 61 61 ARG CA C 13 59.98 0.2 . 1 . . . . 53 R CA . 16781 1 248 . 1 1 61 61 ARG CB C 13 30.79 0.2 . 1 . . . . 53 R CB . 16781 1 249 . 1 1 61 61 ARG N N 15 115.72 0.2 . 1 . . . . 53 R N . 16781 1 250 . 1 1 62 62 LYS H H 1 6.247 0.01 . 1 . . . . 54 K H . 16781 1 251 . 1 1 62 62 LYS C C 13 174.70 0.2 . 1 . . . . 54 K C . 16781 1 252 . 1 1 62 62 LYS CA C 13 58.53 0.2 . 1 . . . . 54 K CA . 16781 1 253 . 1 1 62 62 LYS CB C 13 32.75 0.2 . 1 . . . . 54 K CB . 16781 1 254 . 1 1 62 62 LYS N N 15 113.31 0.2 . 1 . . . . 54 K N . 16781 1 255 . 1 1 63 63 LYS H H 1 7.516 0.01 . 1 . . . . 55 K H . 16781 1 256 . 1 1 63 63 LYS C C 13 174.68 0.2 . 1 . . . . 55 K C . 16781 1 257 . 1 1 63 63 LYS CA C 13 58.36 0.2 . 1 . . . . 55 K CA . 16781 1 258 . 1 1 63 63 LYS CB C 13 31.17 0.2 . 1 . . . . 55 K CB . 16781 1 259 . 1 1 63 63 LYS N N 15 121.64 0.2 . 1 . . . . 55 K N . 16781 1 260 . 1 1 64 64 ILE H H 1 7.521 0.01 . 1 . . . . 56 I H . 16781 1 261 . 1 1 64 64 ILE C C 13 178.55 0.2 . 1 . . . . 56 I C . 16781 1 262 . 1 1 64 64 ILE CA C 13 62.75 0.2 . 1 . . . . 56 I CA . 16781 1 263 . 1 1 64 64 ILE CB C 13 36.90 0.2 . 1 . . . . 56 I CB . 16781 1 264 . 1 1 64 64 ILE N N 15 109.59 0.2 . 1 . . . . 56 I N . 16781 1 265 . 1 1 65 65 MET H H 1 6.468 0.01 . 1 . . . . 57 M H . 16781 1 266 . 1 1 65 65 MET C C 13 176.06 0.2 . 1 . . . . 57 M C . 16781 1 267 . 1 1 65 65 MET CA C 13 53.40 0.2 . 1 . . . . 57 M CA . 16781 1 268 . 1 1 65 65 MET CB C 13 32.79 0.2 . 1 . . . . 57 M CB . 16781 1 269 . 1 1 65 65 MET N N 15 113.73 0.2 . 1 . . . . 57 M N . 16781 1 270 . 1 1 66 66 GLU H H 1 7.469 0.01 . 1 . . . . 58 E H . 16781 1 271 . 1 1 66 66 GLU CA C 13 55.65 0.2 . 1 . . . . 58 E CA . 16781 1 272 . 1 1 66 66 GLU CB C 13 28.36 0.2 . 1 . . . . 58 E CB . 16781 1 273 . 1 1 66 66 GLU N N 15 123.92 0.2 . 1 . . . . 58 E N . 16781 1 274 . 1 1 67 67 PRO C C 13 176.24 0.2 . 1 . . . . 59 P C . 16781 1 275 . 1 1 67 67 PRO CA C 13 65.07 0.2 . 1 . . . . 59 P CA . 16781 1 276 . 1 1 67 67 PRO CB C 13 31.74 0.2 . 1 . . . . 59 P CB . 16781 1 277 . 1 1 68 68 ASN H H 1 8.065 0.01 . 1 . . . . 60 N H . 16781 1 278 . 1 1 68 68 ASN C C 13 177.93 0.2 . 1 . . . . 60 N C . 16781 1 279 . 1 1 68 68 ASN CA C 13 52.41 0.2 . 1 . . . . 60 N CA . 16781 1 280 . 1 1 68 68 ASN CB C 13 37.86 0.2 . 1 . . . . 60 N CB . 16781 1 281 . 1 1 68 68 ASN N N 15 113.39 0.2 . 1 . . . . 60 N N . 16781 1 282 . 1 1 69 69 PHE H H 1 7.638 0.01 . 1 . . . . 61 F H . 16781 1 283 . 1 1 69 69 PHE C C 13 176.66 0.2 . 1 . . . . 61 F C . 16781 1 284 . 1 1 69 69 PHE CA C 13 62.76 0.2 . 1 . . . . 61 F CA . 16781 1 285 . 1 1 69 69 PHE CB C 13 39.30 0.2 . 1 . . . . 61 F CB . 16781 1 286 . 1 1 69 69 PHE N N 15 122.67 0.2 . 1 . . . . 61 F N . 16781 1 287 . 1 1 70 70 ILE H H 1 8.381 0.01 . 1 . . . . 62 I H . 16781 1 288 . 1 1 70 70 ILE C C 13 174.79 0.2 . 1 . . . . 62 I C . 16781 1 289 . 1 1 70 70 ILE CA C 13 62.66 0.2 . 1 . . . . 62 I CA . 16781 1 290 . 1 1 70 70 ILE CB C 13 35.04 0.2 . 1 . . . . 62 I CB . 16781 1 291 . 1 1 70 70 ILE N N 15 118.61 0.2 . 1 . . . . 62 I N . 16781 1 292 . 1 1 71 71 THR H H 1 7.861 0.01 . 1 . . . . 63 T H . 16781 1 293 . 1 1 71 71 THR C C 13 177.44 0.2 . 1 . . . . 63 T C . 16781 1 294 . 1 1 71 71 THR CA C 13 66.48 0.2 . 1 . . . . 63 T CA . 16781 1 295 . 1 1 71 71 THR CB C 13 68.66 0.2 . 1 . . . . 63 T CB . 16781 1 296 . 1 1 71 71 THR N N 15 115.14 0.2 . 1 . . . . 63 T N . 16781 1 297 . 1 1 72 72 SER H H 1 8.177 0.01 . 1 . . . . 64 S H . 16781 1 298 . 1 1 72 72 SER C C 13 178.79 0.2 . 1 . . . . 64 S C . 16781 1 299 . 1 1 72 72 SER CA C 13 61.35 0.2 . 1 . . . . 64 S CA . 16781 1 300 . 1 1 72 72 SER CB C 13 62.65 0.2 . 1 . . . . 64 S CB . 16781 1 301 . 1 1 72 72 SER N N 15 117.90 0.2 . 1 . . . . 64 S N . 16781 1 302 . 1 1 73 73 ILE H H 1 6.741 0.01 . 1 . . . . 65 I H . 16781 1 303 . 1 1 73 73 ILE C C 13 175.76 0.2 . 1 . . . . 65 I C . 16781 1 304 . 1 1 73 73 ILE CA C 13 63.97 0.2 . 1 . . . . 65 I CA . 16781 1 305 . 1 1 73 73 ILE CB C 13 37.40 0.2 . 1 . . . . 65 I CB . 16781 1 306 . 1 1 73 73 ILE N N 15 123.22 0.2 . 1 . . . . 65 I N . 16781 1 307 . 1 1 74 74 ILE H H 1 7.749 0.01 . 1 . . . . 66 I H . 16781 1 308 . 1 1 74 74 ILE C C 13 176.26 0.2 . 1 . . . . 66 I C . 16781 1 309 . 1 1 74 74 ILE CA C 13 65.00 0.2 . 1 . . . . 66 I CA . 16781 1 310 . 1 1 74 74 ILE CB C 13 37.31 0.2 . 1 . . . . 66 I CB . 16781 1 311 . 1 1 74 74 ILE N N 15 119.33 0.2 . 1 . . . . 66 I N . 16781 1 312 . 1 1 75 75 ASN H H 1 7.982 0.01 . 1 . . . . 67 N H . 16781 1 313 . 1 1 75 75 ASN C C 13 179.58 0.2 . 1 . . . . 67 N C . 16781 1 314 . 1 1 75 75 ASN CA C 13 52.83 0.2 . 1 . . . . 67 N CA . 16781 1 315 . 1 1 75 75 ASN CB C 13 38.17 0.2 . 1 . . . . 67 N CB . 16781 1 316 . 1 1 75 75 ASN N N 15 114.82 0.2 . 1 . . . . 67 N N . 16781 1 317 . 1 1 76 76 TYR H H 1 6.887 0.01 . 1 . . . . 68 Y H . 16781 1 318 . 1 1 76 76 TYR C C 13 179.00 0.2 . 1 . . . . 68 Y C . 16781 1 319 . 1 1 76 76 TYR CA C 13 59.76 0.2 . 1 . . . . 68 Y CA . 16781 1 320 . 1 1 76 76 TYR CB C 13 41.54 0.2 . 1 . . . . 68 Y CB . 16781 1 321 . 1 1 76 76 TYR N N 15 122.67 0.2 . 1 . . . . 68 Y N . 16781 1 322 . 1 1 77 77 ASP H H 1 8.048 0.01 . 1 . . . . 69 D H . 16781 1 323 . 1 1 77 77 ASP C C 13 179.06 0.2 . 1 . . . . 69 D C . 16781 1 324 . 1 1 77 77 ASP CA C 13 51.93 0.2 . 1 . . . . 69 D CA . 16781 1 325 . 1 1 77 77 ASP CB C 13 40.23 0.2 . 1 . . . . 69 D CB . 16781 1 326 . 1 1 77 77 ASP N N 15 129.80 0.2 . 1 . . . . 69 D N . 16781 1 327 . 1 1 78 78 THR H H 1 7.776 0.01 . 1 . . . . 70 T H . 16781 1 328 . 1 1 78 78 THR C C 13 177.92 0.2 . 1 . . . . 70 T C . 16781 1 329 . 1 1 78 78 THR CA C 13 67.88 0.2 . 1 . . . . 70 T CA . 16781 1 330 . 1 1 78 78 THR CB C 13 70.05 0.2 . 1 . . . . 70 T CB . 16781 1 331 . 1 1 78 78 THR N N 15 121.84 0.2 . 1 . . . . 70 T N . 16781 1 332 . 1 1 79 79 LYS H H 1 8.291 0.01 . 1 . . . . 71 K H . 16781 1 333 . 1 1 79 79 LYS C C 13 175.90 0.2 . 1 . . . . 71 K C . 16781 1 334 . 1 1 79 79 LYS CA C 13 58.54 0.2 . 1 . . . . 71 K CA . 16781 1 335 . 1 1 79 79 LYS CB C 13 32.18 0.2 . 1 . . . . 71 K CB . 16781 1 336 . 1 1 79 79 LYS N N 15 118.02 0.2 . 1 . . . . 71 K N . 16781 1 337 . 1 1 80 80 LYS H H 1 7.044 0.01 . 1 . . . . 72 K H . 16781 1 338 . 1 1 80 80 LYS C C 13 175.78 0.2 . 1 . . . . 72 K C . 16781 1 339 . 1 1 80 80 LYS CA C 13 57.47 0.2 . 1 . . . . 72 K CA . 16781 1 340 . 1 1 80 80 LYS CB C 13 34.14 0.2 . 1 . . . . 72 K CB . 16781 1 341 . 1 1 80 80 LYS N N 15 115.64 0.2 . 1 . . . . 72 K N . 16781 1 342 . 1 1 81 81 MET H H 1 7.909 0.01 . 1 . . . . 73 M H . 16781 1 343 . 1 1 81 81 MET C C 13 175.77 0.2 . 1 . . . . 73 M C . 16781 1 344 . 1 1 81 81 MET CA C 13 55.70 0.2 . 1 . . . . 73 M CA . 16781 1 345 . 1 1 81 81 MET CB C 13 33.20 0.2 . 1 . . . . 73 M CB . 16781 1 346 . 1 1 81 81 MET N N 15 113.68 0.2 . 1 . . . . 73 M N . 16781 1 347 . 1 1 82 82 MET H H 1 8.006 0.01 . 1 . . . . 74 M H . 16781 1 348 . 1 1 82 82 MET C C 13 178.22 0.2 . 1 . . . . 74 M C . 16781 1 349 . 1 1 82 82 MET CA C 13 54.79 0.2 . 1 . . . . 74 M CA . 16781 1 350 . 1 1 82 82 MET CB C 13 30.43 0.2 . 1 . . . . 74 M CB . 16781 1 351 . 1 1 82 82 MET N N 15 120.77 0.2 . 1 . . . . 74 M N . 16781 1 352 . 1 1 83 83 THR H H 1 6.781 0.01 . 1 . . . . 75 T H . 16781 1 353 . 1 1 83 83 THR C C 13 180.33 0.2 . 1 . . . . 75 T C . 16781 1 354 . 1 1 83 83 THR CA C 13 59.34 0.2 . 1 . . . . 75 T CA . 16781 1 355 . 1 1 83 83 THR CB C 13 68.78 0.2 . 1 . . . . 75 T CB . 16781 1 356 . 1 1 83 83 THR N N 15 114.56 0.2 . 1 . . . . 75 T N . 16781 1 357 . 1 1 84 84 PRO C C 13 174.53 0.2 . 1 . . . . 76 P C . 16781 1 358 . 1 1 84 84 PRO CA C 13 66.37 0.2 . 1 . . . . 76 P CA . 16781 1 359 . 1 1 84 84 PRO CB C 13 31.74 0.2 . 1 . . . . 76 P CB . 16781 1 360 . 1 1 85 85 LYS H H 1 7.828 0.01 . 1 . . . . 77 K H . 16781 1 361 . 1 1 85 85 LYS C C 13 173.64 0.2 . 1 . . . . 77 K C . 16781 1 362 . 1 1 85 85 LYS CA C 13 59.04 0.2 . 1 . . . . 77 K CA . 16781 1 363 . 1 1 85 85 LYS CB C 13 32.52 0.2 . 1 . . . . 77 K CB . 16781 1 364 . 1 1 85 85 LYS N N 15 115.89 0.2 . 1 . . . . 77 K N . 16781 1 365 . 1 1 86 86 ILE H H 1 7.530 0.01 . 1 . . . . 78 I H . 16781 1 366 . 1 1 86 86 ILE C C 13 176.26 0.2 . 1 . . . . 78 I C . 16781 1 367 . 1 1 86 86 ILE CA C 13 64.54 0.2 . 1 . . . . 78 I CA . 16781 1 368 . 1 1 86 86 ILE CB C 13 37.72 0.2 . 1 . . . . 78 I CB . 16781 1 369 . 1 1 86 86 ILE N N 15 122.46 0.2 . 1 . . . . 78 I N . 16781 1 370 . 1 1 87 87 ARG H H 1 8.622 0.01 . 1 . . . . 79 R H . 16781 1 371 . 1 1 87 87 ARG C C 13 174.15 0.2 . 1 . . . . 79 R C . 16781 1 372 . 1 1 87 87 ARG CA C 13 60.74 0.2 . 1 . . . . 79 R CA . 16781 1 373 . 1 1 87 87 ARG CB C 13 30.38 0.2 . 1 . . . . 79 R CB . 16781 1 374 . 1 1 87 87 ARG N N 15 120.60 0.2 . 1 . . . . 79 R N . 16781 1 375 . 1 1 88 88 GLU H H 1 8.243 0.01 . 1 . . . . 80 E H . 16781 1 376 . 1 1 88 88 GLU C C 13 176.07 0.2 . 1 . . . . 80 E C . 16781 1 377 . 1 1 88 88 GLU CA C 13 59.30 0.2 . 1 . . . . 80 E CA . 16781 1 378 . 1 1 88 88 GLU CB C 13 29.46 0.2 . 1 . . . . 80 E CB . 16781 1 379 . 1 1 88 88 GLU N N 15 120.91 0.2 . 1 . . . . 80 E N . 16781 1 380 . 1 1 89 89 ALA H H 1 7.575 0.01 . 1 . . . . 81 A H . 16781 1 381 . 1 1 89 89 ALA C C 13 171.30 0.2 . 1 . . . . 81 A C . 16781 1 382 . 1 1 89 89 ALA CA C 13 55.17 0.2 . 1 . . . . 81 A CA . 16781 1 383 . 1 1 89 89 ALA CB C 13 18.17 0.2 . 1 . . . . 81 A CB . 16781 1 384 . 1 1 89 89 ALA N N 15 121.60 0.2 . 1 . . . . 81 A N . 16781 1 385 . 1 1 90 90 ILE H H 1 8.640 0.01 . 1 . . . . 82 I H . 16781 1 386 . 1 1 90 90 ILE C C 13 174.70 0.2 . 1 . . . . 82 I C . 16781 1 387 . 1 1 90 90 ILE CA C 13 61.66 0.2 . 1 . . . . 82 I CA . 16781 1 388 . 1 1 90 90 ILE CB C 13 35.60 0.2 . 1 . . . . 82 I CB . 16781 1 389 . 1 1 90 90 ILE N N 15 118.87 0.2 . 1 . . . . 82 I N . 16781 1 390 . 1 1 91 91 THR H H 1 8.496 0.01 . 1 . . . . 83 T H . 16781 1 391 . 1 1 91 91 THR C C 13 178.64 0.2 . 1 . . . . 83 T C . 16781 1 392 . 1 1 91 91 THR CA C 13 67.60 0.2 . 1 . . . . 83 T CA . 16781 1 393 . 1 1 91 91 THR CB C 13 68.94 0.2 . 1 . . . . 83 T CB . 16781 1 394 . 1 1 91 91 THR N N 15 118.18 0.2 . 1 . . . . 83 T N . 16781 1 395 . 1 1 92 92 LYS H H 1 8.242 0.01 . 1 . . . . 84 K H . 16781 1 396 . 1 1 92 92 LYS C C 13 174.82 0.2 . 1 . . . . 84 K C . 16781 1 397 . 1 1 92 92 LYS CA C 13 57.52 0.2 . 1 . . . . 84 K CA . 16781 1 398 . 1 1 92 92 LYS CB C 13 32.14 0.2 . 1 . . . . 84 K CB . 16781 1 399 . 1 1 92 92 LYS N N 15 116.32 0.2 . 1 . . . . 84 K N . 16781 1 400 . 1 1 93 93 GLY H H 1 7.536 0.01 . 1 . . . . 85 G H . 16781 1 401 . 1 1 93 93 GLY C C 13 180.18 0.2 . 1 . . . . 85 G C . 16781 1 402 . 1 1 93 93 GLY CA C 13 45.71 0.2 . 1 . . . . 85 G CA . 16781 1 403 . 1 1 93 93 GLY N N 15 103.15 0.2 . 1 . . . . 85 G N . 16781 1 404 . 1 1 94 94 TYR H H 1 7.027 0.01 . 1 . . . . 86 Y H . 16781 1 405 . 1 1 94 94 TYR C C 13 177.85 0.2 . 1 . . . . 86 Y C . 16781 1 406 . 1 1 94 94 TYR CA C 13 60.47 0.2 . 1 . . . . 86 Y CA . 16781 1 407 . 1 1 94 94 TYR CB C 13 37.83 0.2 . 1 . . . . 86 Y CB . 16781 1 408 . 1 1 94 94 TYR N N 15 115.27 0.2 . 1 . . . . 86 Y N . 16781 1 409 . 1 1 95 95 LEU H H 1 8.078 0.01 . 1 . . . . 87 L H . 16781 1 410 . 1 1 95 95 LEU C C 13 173.97 0.2 . 1 . . . . 87 L C . 16781 1 411 . 1 1 95 95 LEU CA C 13 58.55 0.2 . 1 . . . . 87 L CA . 16781 1 412 . 1 1 95 95 LEU CB C 13 40.27 0.2 . 1 . . . . 87 L CB . 16781 1 413 . 1 1 95 95 LEU N N 15 114.99 0.2 . 1 . . . . 87 L N . 16781 1 414 . 1 1 96 96 GLU H H 1 7.453 0.01 . 1 . . . . 88 E H . 16781 1 415 . 1 1 96 96 GLU C C 13 177.38 0.2 . 1 . . . . 88 E C . 16781 1 416 . 1 1 96 96 GLU CA C 13 56.13 0.2 . 1 . . . . 88 E CA . 16781 1 417 . 1 1 96 96 GLU CB C 13 29.47 0.2 . 1 . . . . 88 E CB . 16781 1 418 . 1 1 96 96 GLU N N 15 113.46 0.2 . 1 . . . . 88 E N . 16781 1 419 . 1 1 97 97 ASP H H 1 7.591 0.01 . 1 . . . . 89 D H . 16781 1 420 . 1 1 97 97 ASP C C 13 175.00 0.2 . 1 . . . . 89 D C . 16781 1 421 . 1 1 97 97 ASP CA C 13 51.86 0.2 . 1 . . . . 89 D CA . 16781 1 422 . 1 1 97 97 ASP CB C 13 43.02 0.2 . 1 . . . . 89 D CB . 16781 1 423 . 1 1 97 97 ASP N N 15 124.47 0.2 . 1 . . . . 89 D N . 16781 1 424 . 1 1 98 98 PRO C C 13 175.24 0.2 . 1 . . . . 90 P C . 16781 1 425 . 1 1 98 98 PRO CA C 13 64.67 0.2 . 1 . . . . 90 P CA . 16781 1 426 . 1 1 98 98 PRO CB C 13 31.83 0.2 . 1 . . . . 90 P CB . 16781 1 427 . 1 1 99 99 GLY H H 1 9.437 0.01 . 1 . . . . 91 G H . 16781 1 428 . 1 1 99 99 GLY C C 13 181.52 0.2 . 1 . . . . 91 G C . 16781 1 429 . 1 1 99 99 GLY CA C 13 45.77 0.2 . 1 . . . . 91 G CA . 16781 1 430 . 1 1 99 99 GLY N N 15 107.74 0.2 . 1 . . . . 91 G N . 16781 1 431 . 1 1 100 100 PHE H H 1 7.905 0.01 . 1 . . . . 92 F H . 16781 1 432 . 1 1 100 100 PHE C C 13 179.39 0.2 . 1 . . . . 92 F C . 16781 1 433 . 1 1 100 100 PHE CA C 13 56.63 0.2 . 1 . . . . 92 F CA . 16781 1 434 . 1 1 100 100 PHE CB C 13 41.93 0.2 . 1 . . . . 92 F CB . 16781 1 435 . 1 1 100 100 PHE N N 15 121.20 0.2 . 1 . . . . 92 F N . 16781 1 436 . 1 1 101 101 ASP H H 1 6.860 0.01 . 1 . . . . 93 D H . 16781 1 437 . 1 1 101 101 ASP C C 13 178.10 0.2 . 1 . . . . 93 D C . 16781 1 438 . 1 1 101 101 ASP CA C 13 53.74 0.2 . 1 . . . . 93 D CA . 16781 1 439 . 1 1 101 101 ASP CB C 13 43.84 0.2 . 1 . . . . 93 D CB . 16781 1 440 . 1 1 101 101 ASP N N 15 119.24 0.2 . 1 . . . . 93 D N . 16781 1 441 . 1 1 102 102 TYR H H 1 8.833 0.01 . 1 . . . . 94 Y H . 16781 1 442 . 1 1 102 102 TYR C C 13 177.80 0.2 . 1 . . . . 94 Y C . 16781 1 443 . 1 1 102 102 TYR CA C 13 62.79 0.2 . 1 . . . . 94 Y CA . 16781 1 444 . 1 1 102 102 TYR CB C 13 38.28 0.2 . 1 . . . . 94 Y CB . 16781 1 445 . 1 1 102 102 TYR N N 15 126.07 0.2 . 1 . . . . 94 Y N . 16781 1 446 . 1 1 103 103 GLU H H 1 8.504 0.01 . 1 . . . . 95 E H . 16781 1 447 . 1 1 103 103 GLU C C 13 174.25 0.2 . 1 . . . . 95 E C . 16781 1 448 . 1 1 103 103 GLU CA C 13 59.50 0.2 . 1 . . . . 95 E CA . 16781 1 449 . 1 1 103 103 GLU CB C 13 28.81 0.2 . 1 . . . . 95 E CB . 16781 1 450 . 1 1 103 103 GLU N N 15 117.64 0.2 . 1 . . . . 95 E N . 16781 1 451 . 1 1 104 104 THR H H 1 7.677 0.01 . 1 . . . . 96 T H . 16781 1 452 . 1 1 104 104 THR C C 13 176.63 0.2 . 1 . . . . 96 T C . 16781 1 453 . 1 1 104 104 THR CA C 13 66.84 0.2 . 1 . . . . 96 T CA . 16781 1 454 . 1 1 104 104 THR CB C 13 68.78 0.2 . 1 . . . . 96 T CB . 16781 1 455 . 1 1 104 104 THR N N 15 116.60 0.2 . 1 . . . . 96 T N . 16781 1 456 . 1 1 105 105 VAL H H 1 8.277 0.01 . 1 . . . . 97 V H . 16781 1 457 . 1 1 105 105 VAL C C 13 176.61 0.2 . 1 . . . . 97 V C . 16781 1 458 . 1 1 105 105 VAL CA C 13 66.51 0.2 . 1 . . . . 97 V CA . 16781 1 459 . 1 1 105 105 VAL CB C 13 31.69 0.2 . 1 . . . . 97 V CB . 16781 1 460 . 1 1 105 105 VAL N N 15 122.35 0.2 . 1 . . . . 97 V N . 16781 1 461 . 1 1 106 106 ASN H H 1 8.629 0.01 . 1 . . . . 98 N H . 16781 1 462 . 1 1 106 106 ASN C C 13 176.61 0.2 . 1 . . . . 98 N C . 16781 1 463 . 1 1 106 106 ASN CA C 13 55.26 0.2 . 1 . . . . 98 N CA . 16781 1 464 . 1 1 106 106 ASN CB C 13 38.79 0.2 . 1 . . . . 98 N CB . 16781 1 465 . 1 1 106 106 ASN N N 15 117.50 0.2 . 1 . . . . 98 N N . 16781 1 466 . 1 1 107 107 ARG H H 1 7.221 0.01 . 1 . . . . 99 R H . 16781 1 467 . 1 1 107 107 ARG C C 13 175.90 0.2 . 1 . . . . 99 R C . 16781 1 468 . 1 1 107 107 ARG CA C 13 58.50 0.2 . 1 . . . . 99 R CA . 16781 1 469 . 1 1 107 107 ARG CB C 13 30.23 0.2 . 1 . . . . 99 R CB . 16781 1 470 . 1 1 107 107 ARG N N 15 114.75 0.2 . 1 . . . . 99 R N . 16781 1 471 . 1 1 108 108 ALA H H 1 7.015 0.01 . 1 . . . . 100 A H . 16781 1 472 . 1 1 108 108 ALA C C 13 174.76 0.2 . 1 . . . . 100 A C . 16781 1 473 . 1 1 108 108 ALA CA C 13 53.74 0.2 . 1 . . . . 100 A CA . 16781 1 474 . 1 1 108 108 ALA CB C 13 18.94 0.2 . 1 . . . . 100 A CB . 16781 1 475 . 1 1 108 108 ALA N N 15 121.01 0.2 . 1 . . . . 100 A N . 16781 1 476 . 1 1 109 109 SER H H 1 8.239 0.01 . 1 . . . . 101 S H . 16781 1 477 . 1 1 109 109 SER C C 13 179.07 0.2 . 1 . . . . 101 S C . 16781 1 478 . 1 1 109 109 SER CA C 13 57.38 0.2 . 1 . . . . 101 S CA . 16781 1 479 . 1 1 109 109 SER CB C 13 64.47 0.2 . 1 . . . . 101 S CB . 16781 1 480 . 1 1 109 109 SER N N 15 111.92 0.2 . 1 . . . . 101 S N . 16781 1 481 . 1 1 110 110 LYS H H 1 8.819 0.01 . 1 . . . . 102 K H . 16781 1 482 . 1 1 110 110 LYS C C 13 175.20 0.2 . 1 . . . . 102 K C . 16781 1 483 . 1 1 110 110 LYS CA C 13 57.52 0.2 . 1 . . . . 102 K CA . 16781 1 484 . 1 1 110 110 LYS CB C 13 31.35 0.2 . 1 . . . . 102 K CB . 16781 1 485 . 1 1 110 110 LYS N N 15 130.21 0.2 . 1 . . . . 102 K N . 16781 1 486 . 1 1 111 111 ALA H H 1 7.704 0.01 . 1 . . . . 103 A H . 16781 1 487 . 1 1 111 111 ALA C C 13 176.56 0.2 . 1 . . . . 103 A C . 16781 1 488 . 1 1 111 111 ALA CA C 13 53.37 0.2 . 1 . . . . 103 A CA . 16781 1 489 . 1 1 111 111 ALA CB C 13 19.15 0.2 . 1 . . . . 103 A CB . 16781 1 490 . 1 1 111 111 ALA N N 15 118.22 0.2 . 1 . . . . 103 A N . 16781 1 491 . 1 1 112 112 CYS H H 1 7.141 0.01 . 1 . . . . 104 C H . 16781 1 492 . 1 1 112 112 CYS C C 13 176.57 0.2 . 1 . . . . 104 C C . 16781 1 493 . 1 1 112 112 CYS CA C 13 61.78 0.2 . 1 . . . . 104 C CA . 16781 1 494 . 1 1 112 112 CYS CB C 13 28.81 0.2 . 1 . . . . 104 C CB . 16781 1 495 . 1 1 112 112 CYS N N 15 109.29 0.2 . 1 . . . . 104 C N . 16781 1 496 . 1 1 113 113 GLY H H 1 7.647 0.01 . 1 . . . . 105 G H . 16781 1 497 . 1 1 113 113 GLY C C 13 179.53 0.2 . 1 . . . . 105 G C . 16781 1 498 . 1 1 113 113 GLY CA C 13 49.07 0.2 . 1 . . . . 105 G CA . 16781 1 499 . 1 1 113 113 GLY N N 15 108.10 0.2 . 1 . . . . 105 G N . 16781 1 500 . 1 1 114 114 PRO C C 13 175.89 0.2 . 1 . . . . 106 P C . 16781 1 501 . 1 1 114 114 PRO CA C 13 65.47 0.2 . 1 . . . . 106 P CA . 16781 1 502 . 1 1 114 114 PRO CB C 13 33.14 0.2 . 1 . . . . 106 P CB . 16781 1 503 . 1 1 115 115 LEU H H 1 6.631 0.01 . 1 . . . . 107 L H . 16781 1 504 . 1 1 115 115 LEU C C 13 174.64 0.2 . 1 . . . . 107 L C . 16781 1 505 . 1 1 115 115 LEU CA C 13 57.43 0.2 . 1 . . . . 107 L CA . 16781 1 506 . 1 1 115 115 LEU CB C 13 39.79 0.2 . 1 . . . . 107 L CB . 16781 1 507 . 1 1 115 115 LEU N N 15 112.64 0.2 . 1 . . . . 107 L N . 16781 1 508 . 1 1 116 116 VAL H H 1 7.749 0.01 . 1 . . . . 108 V H . 16781 1 509 . 1 1 116 116 VAL C C 13 173.87 0.2 . 1 . . . . 108 V C . 16781 1 510 . 1 1 116 116 VAL CA C 13 66.45 0.2 . 1 . . . . 108 V CA . 16781 1 511 . 1 1 116 116 VAL CB C 13 31.65 0.2 . 1 . . . . 108 V CB . 16781 1 512 . 1 1 116 116 VAL N N 15 119.69 0.2 . 1 . . . . 108 V N . 16781 1 513 . 1 1 117 117 LYS H H 1 7.681 0.01 . 1 . . . . 109 K H . 16781 1 514 . 1 1 117 117 LYS C C 13 174.62 0.2 . 1 . . . . 109 K C . 16781 1 515 . 1 1 117 117 LYS CA C 13 59.91 0.2 . 1 . . . . 109 K CA . 16781 1 516 . 1 1 117 117 LYS CB C 13 32.17 0.2 . 1 . . . . 109 K CB . 16781 1 517 . 1 1 117 117 LYS N N 15 122.31 0.2 . 1 . . . . 109 K N . 16781 1 518 . 1 1 118 118 TRP H H 1 8.474 0.01 . 1 . . . . 110 W H . 16781 1 519 . 1 1 118 118 TRP C C 13 177.35 0.2 . 1 . . . . 110 W C . 16781 1 520 . 1 1 118 118 TRP CA C 13 63.02 0.2 . 1 . . . . 110 W CA . 16781 1 521 . 1 1 118 118 TRP CB C 13 28.50 0.2 . 1 . . . . 110 W CB . 16781 1 522 . 1 1 118 118 TRP N N 15 120.22 0.2 . 1 . . . . 110 W N . 16781 1 523 . 1 1 119 119 ALA H H 1 8.825 0.01 . 1 . . . . 111 A H . 16781 1 524 . 1 1 119 119 ALA C C 13 173.15 0.2 . 1 . . . . 111 A C . 16781 1 525 . 1 1 119 119 ALA CA C 13 55.50 0.2 . 1 . . . . 111 A CA . 16781 1 526 . 1 1 119 119 ALA CB C 13 17.80 0.2 . 1 . . . . 111 A CB . 16781 1 527 . 1 1 119 119 ALA N N 15 121.48 0.2 . 1 . . . . 111 A N . 16781 1 528 . 1 1 120 120 THR H H 1 8.057 0.01 . 1 . . . . 112 T H . 16781 1 529 . 1 1 120 120 THR C C 13 178.29 0.2 . 1 . . . . 112 T C . 16781 1 530 . 1 1 120 120 THR CA C 13 66.94 0.2 . 1 . . . . 112 T CA . 16781 1 531 . 1 1 120 120 THR CB C 13 69.16 0.2 . 1 . . . . 112 T CB . 16781 1 532 . 1 1 120 120 THR N N 15 113.58 0.2 . 1 . . . . 112 T N . 16781 1 533 . 1 1 121 121 ALA H H 1 7.907 0.01 . 1 . . . . 113 A H . 16781 1 534 . 1 1 121 121 ALA C C 13 172.80 0.2 . 1 . . . . 113 A C . 16781 1 535 . 1 1 121 121 ALA CA C 13 55.19 0.2 . 1 . . . . 113 A CA . 16781 1 536 . 1 1 121 121 ALA CB C 13 18.14 0.2 . 1 . . . . 113 A CB . 16781 1 537 . 1 1 121 121 ALA N N 15 123.41 0.2 . 1 . . . . 113 A N . 16781 1 538 . 1 1 122 122 GLN H H 1 8.164 0.01 . 1 . . . . 114 Q H . 16781 1 539 . 1 1 122 122 GLN C C 13 175.41 0.2 . 1 . . . . 114 Q C . 16781 1 540 . 1 1 122 122 GLN CA C 13 58.49 0.2 . 1 . . . . 114 Q CA . 16781 1 541 . 1 1 122 122 GLN CB C 13 28.00 0.2 . 1 . . . . 114 Q CB . 16781 1 542 . 1 1 122 122 GLN N N 15 115.92 0.2 . 1 . . . . 114 Q N . 16781 1 543 . 1 1 123 123 THR H H 1 7.353 0.01 . 1 . . . . 115 T H . 16781 1 544 . 1 1 123 123 THR C C 13 176.71 0.2 . 1 . . . . 115 T C . 16781 1 545 . 1 1 123 123 THR CA C 13 67.98 0.2 . 1 . . . . 115 T CA . 16781 1 546 . 1 1 123 123 THR N N 15 115.36 0.2 . 1 . . . . 115 T N . 16781 1 547 . 1 1 124 124 TYR H H 1 7.594 0.01 . 1 . . . . 116 Y H . 16781 1 548 . 1 1 124 124 TYR C C 13 175.49 0.2 . 1 . . . . 116 Y C . 16781 1 549 . 1 1 124 124 TYR CA C 13 60.27 0.2 . 1 . . . . 116 Y CA . 16781 1 550 . 1 1 124 124 TYR CB C 13 37.37 0.2 . 1 . . . . 116 Y CB . 16781 1 551 . 1 1 124 124 TYR N N 15 121.16 0.2 . 1 . . . . 116 Y N . 16781 1 552 . 1 1 125 125 TYR H H 1 8.274 0.01 . 1 . . . . 117 Y H . 16781 1 553 . 1 1 125 125 TYR C C 13 176.55 0.2 . 1 . . . . 117 Y C . 16781 1 554 . 1 1 125 125 TYR CA C 13 58.33 0.2 . 1 . . . . 117 Y CA . 16781 1 555 . 1 1 125 125 TYR CB C 13 38.41 0.2 . 1 . . . . 117 Y CB . 16781 1 556 . 1 1 125 125 TYR N N 15 120.07 0.2 . 1 . . . . 117 Y N . 16781 1 557 . 1 1 126 126 SER H H 1 8.259 0.01 . 1 . . . . 118 S H . 16781 1 558 . 1 1 126 126 SER C C 13 177.62 0.2 . 1 . . . . 118 S C . 16781 1 559 . 1 1 126 126 SER CA C 13 60.81 0.2 . 1 . . . . 118 S CA . 16781 1 560 . 1 1 126 126 SER CB C 13 63.53 0.2 . 1 . . . . 118 S CB . 16781 1 561 . 1 1 126 126 SER N N 15 112.90 0.2 . 1 . . . . 118 S N . 16781 1 562 . 1 1 127 127 GLU H H 1 7.281 0.01 . 1 . . . . 119 E H . 16781 1 563 . 1 1 127 127 GLU C C 13 174.88 0.2 . 1 . . . . 119 E C . 16781 1 564 . 1 1 127 127 GLU CA C 13 59.49 0.2 . 1 . . . . 119 E CA . 16781 1 565 . 1 1 127 127 GLU CB C 13 29.45 0.2 . 1 . . . . 119 E CB . 16781 1 566 . 1 1 127 127 GLU N N 15 119.18 0.2 . 1 . . . . 119 E N . 16781 1 567 . 1 1 128 128 ILE H H 1 7.281 0.01 . 1 . . . . 120 I H . 16781 1 568 . 1 1 128 128 ILE C C 13 174.41 0.2 . 1 . . . . 120 I C . 16781 1 569 . 1 1 128 128 ILE CA C 13 64.16 0.2 . 1 . . . . 120 I CA . 16781 1 570 . 1 1 128 128 ILE CB C 13 37.68 0.2 . 1 . . . . 120 I CB . 16781 1 571 . 1 1 128 128 ILE N N 15 119.18 0.2 . 1 . . . . 120 I N . 16781 1 572 . 1 1 129 129 LEU H H 1 8.087 0.01 . 1 . . . . 121 L H . 16781 1 573 . 1 1 129 129 LEU C C 13 174.40 0.2 . 1 . . . . 121 L C . 16781 1 574 . 1 1 129 129 LEU CA C 13 57.03 0.2 . 1 . . . . 121 L CA . 16781 1 575 . 1 1 129 129 LEU CB C 13 41.71 0.2 . 1 . . . . 121 L CB . 16781 1 576 . 1 1 129 129 LEU N N 15 120.93 0.2 . 1 . . . . 121 L N . 16781 1 577 . 1 1 130 130 ASP H H 1 7.556 0.01 . 1 . . . . 122 D H . 16781 1 578 . 1 1 130 130 ASP C C 13 176.79 0.2 . 1 . . . . 122 D C . 16781 1 579 . 1 1 130 130 ASP CA C 13 55.29 0.2 . 1 . . . . 122 D CA . 16781 1 580 . 1 1 130 130 ASP CB C 13 41.08 0.2 . 1 . . . . 122 D CB . 16781 1 581 . 1 1 130 130 ASP N N 15 118.09 0.2 . 1 . . . . 122 D N . 16781 1 582 . 1 1 131 131 ARG H H 1 7.427 0.01 . 1 . . . . 123 R H . 16781 1 583 . 1 1 131 131 ARG C C 13 176.78 0.2 . 1 . . . . 123 R C . 16781 1 584 . 1 1 131 131 ARG CA C 13 56.98 0.2 . 1 . . . . 123 R CA . 16781 1 585 . 1 1 131 131 ARG CB C 13 30.68 0.2 . 1 . . . . 123 R CB . 16781 1 586 . 1 1 131 131 ARG N N 15 118.20 0.2 . 1 . . . . 123 R N . 16781 1 587 . 1 1 132 132 ILE H H 1 7.655 0.01 . 1 . . . . 124 I H . 16781 1 588 . 1 1 132 132 ILE C C 13 177.69 0.2 . 1 . . . . 124 I C . 16781 1 589 . 1 1 132 132 ILE CA C 13 61.67 0.2 . 1 . . . . 124 I CA . 16781 1 590 . 1 1 132 132 ILE CB C 13 38.25 0.2 . 1 . . . . 124 I CB . 16781 1 591 . 1 1 132 132 ILE N N 15 120.02 0.2 . 1 . . . . 124 I N . 16781 1 592 . 1 1 133 133 LYS H H 1 8.059 0.01 . 1 . . . . 125 K H . 16781 1 593 . 1 1 133 133 LYS C C 13 180.13 0.2 . 1 . . . . 125 K C . 16781 1 594 . 1 1 133 133 LYS CA C 13 53.87 0.2 . 1 . . . . 125 K CA . 16781 1 595 . 1 1 133 133 LYS CB C 13 32.42 0.2 . 1 . . . . 125 K CB . 16781 1 596 . 1 1 133 133 LYS N N 15 127.04 0.2 . 1 . . . . 125 K N . 16781 1 stop_ save_