data_4946 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4946 _Entry.Title ; Solution Structures of C-1027 Apoprotein and its Complex with the Aromatized Chromophore ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-01-23 _Entry.Accession_date 2001-01-23 _Entry.Last_release_date 2001-08-22 _Entry.Original_release_date 2001-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Toshiyuki Tanaka . . . 4946 2 Sumiko Fukuda-Ishisaka . . . 4946 3 Masahiro Hirama . . . 4946 4 Toshio Otani . . . 4946 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4946 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 646 4946 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-08-22 2001-01-23 original author . 4946 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4947 'complexed with aromatized chromophore' 4946 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4946 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21383385 _Citation.DOI . _Citation.PubMed_ID 11491295 _Citation.Full_citation . _Citation.Title ; Solution Structures of C-1027 Apoprotein and Its Complex with the Aromatized Chromophore ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 309 _Citation.Journal_issue 1 _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 267 _Citation.Page_last 283 _Citation.Year 2001 _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 Toshiyuki Tanaka . . . 4946 1 2 Sumiko Fukuda-Ishisaka . . . 4946 1 3 Masahiro Hirama . . . 4946 1 4 Toshio Otani . . . 4946 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_C-1027 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_C-1027 _Assembly.Entry_ID 4946 _Assembly.ID 1 _Assembly.Name 'C-1027 apoprotein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4946 1 stop_ 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 'C-1027 apoprotein' 1 $C-1027_apoprotein . . . native . . . . . 4946 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 4946 1 2 disulfide single . 1 . 1 CYS 86 86 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 4946 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID C-1027 abbreviation 4946 1 'C-1027 apoprotein' system 4946 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-1027_apoprotein _Entity.Sf_category entity _Entity.Sf_framecode C-1027_apoprotein _Entity.Entry_ID 4946 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-1027 apoprotein' _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 ; APAFSVSPASGLSDGQSVSV SVSGAAAGETYYIAQCAPVG GQDACNPATATSFTTDASGA ASFSFVVRKSYTGSTPEGTP VGSVDCATAACNLGAGNSGL DLGHVALTFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10502 _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 BMRB 4947 . C-1027_apoprotein . . . . . 100.00 110 100.00 100.00 3.46e-68 . . . . 4946 1 2 no PDB 1HZK . "Solution Structures Of C-1027 Apoprotein And Its Complex With The Aromatized Chromophore" . . . . . 100.00 110 100.00 100.00 3.46e-68 . . . . 4946 1 3 no PDB 1HZL . "Solution Structures Of C-1027 Apoprotein And Its Complex With The Aromatized Chromophore" . . . . . 100.00 110 100.00 100.00 3.46e-68 . . . . 4946 1 4 no PDB 1J48 . "Crystal Structure Of Apo-C1027" . . . . . 100.00 110 100.00 100.00 3.46e-68 . . . . 4946 1 5 no DBJ BAA01609 . "C-1027 apoprotein precursor [Streptomyces globisporus]" . . . . . 100.00 143 100.00 100.00 5.89e-69 . . . . 4946 1 6 no DBJ BAA02014 . "actinoxanthin preapoprotein [Streptomyces globisporus]" . . . . . 100.00 143 98.18 98.18 3.11e-67 . . . . 4946 1 7 no GB AAL06658 . "C-1027 apoprotein [Streptomyces globisporus]" . . . . . 100.00 143 100.00 100.00 5.89e-69 . . . . 4946 1 8 no GB AEC48369 . "putative C-1027 apoprotein [Streptomyces pluricolorescens]" . . . . . 100.00 143 98.18 98.18 3.11e-67 . . . . 4946 1 9 no PRF 1901206A . "antitumor antibiotic apoprotein C1027" . . . . . 100.00 143 100.00 100.00 5.89e-69 . . . . 4946 1 10 no REF WP_029181878 . "hypothetical protein [Streptomyces globisporus]" . . . . . 100.00 143 100.00 100.00 5.89e-69 . . . . 4946 1 11 no REF WP_032794840 . "hypothetical protein [Streptomyces mediolani]" . . . . . 100.00 143 98.18 98.18 3.11e-67 . . . . 4946 1 12 no SP P01551 . "RecName: Full=Actinoxanthin; Short=AXN; Flags: Precursor [Streptomyces globisporus]" . . . . . 100.00 143 98.18 98.18 3.11e-67 . . . . 4946 1 13 no SP Q06110 . "RecName: Full=Antitumor antibiotic C-1027 apoprotein; AltName: Full=C-1027-AG; Flags: Precursor [Streptomyces globisporus]" . . . . . 100.00 143 100.00 100.00 5.89e-69 . . . . 4946 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-1027 apoprotein' abbreviation 4946 1 'C-1027 apoprotein' common 4946 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 . ALA . 4946 1 2 . PRO . 4946 1 3 . ALA . 4946 1 4 . PHE . 4946 1 5 . SER . 4946 1 6 . VAL . 4946 1 7 . SER . 4946 1 8 . PRO . 4946 1 9 . ALA . 4946 1 10 . SER . 4946 1 11 . GLY . 4946 1 12 . LEU . 4946 1 13 . SER . 4946 1 14 . ASP . 4946 1 15 . GLY . 4946 1 16 . GLN . 4946 1 17 . SER . 4946 1 18 . VAL . 4946 1 19 . SER . 4946 1 20 . VAL . 4946 1 21 . SER . 4946 1 22 . VAL . 4946 1 23 . SER . 4946 1 24 . GLY . 4946 1 25 . ALA . 4946 1 26 . ALA . 4946 1 27 . ALA . 4946 1 28 . GLY . 4946 1 29 . GLU . 4946 1 30 . THR . 4946 1 31 . TYR . 4946 1 32 . TYR . 4946 1 33 . ILE . 4946 1 34 . ALA . 4946 1 35 . GLN . 4946 1 36 . CYS . 4946 1 37 . ALA . 4946 1 38 . PRO . 4946 1 39 . VAL . 4946 1 40 . GLY . 4946 1 41 . GLY . 4946 1 42 . GLN . 4946 1 43 . ASP . 4946 1 44 . ALA . 4946 1 45 . CYS . 4946 1 46 . ASN . 4946 1 47 . PRO . 4946 1 48 . ALA . 4946 1 49 . THR . 4946 1 50 . ALA . 4946 1 51 . THR . 4946 1 52 . SER . 4946 1 53 . PHE . 4946 1 54 . THR . 4946 1 55 . THR . 4946 1 56 . ASP . 4946 1 57 . ALA . 4946 1 58 . SER . 4946 1 59 . GLY . 4946 1 60 . ALA . 4946 1 61 . ALA . 4946 1 62 . SER . 4946 1 63 . PHE . 4946 1 64 . SER . 4946 1 65 . PHE . 4946 1 66 . VAL . 4946 1 67 . VAL . 4946 1 68 . ARG . 4946 1 69 . LYS . 4946 1 70 . SER . 4946 1 71 . TYR . 4946 1 72 . THR . 4946 1 73 . GLY . 4946 1 74 . SER . 4946 1 75 . THR . 4946 1 76 . PRO . 4946 1 77 . GLU . 4946 1 78 . GLY . 4946 1 79 . THR . 4946 1 80 . PRO . 4946 1 81 . VAL . 4946 1 82 . GLY . 4946 1 83 . SER . 4946 1 84 . VAL . 4946 1 85 . ASP . 4946 1 86 . CYS . 4946 1 87 . ALA . 4946 1 88 . THR . 4946 1 89 . ALA . 4946 1 90 . ALA . 4946 1 91 . CYS . 4946 1 92 . ASN . 4946 1 93 . LEU . 4946 1 94 . GLY . 4946 1 95 . ALA . 4946 1 96 . GLY . 4946 1 97 . ASN . 4946 1 98 . SER . 4946 1 99 . GLY . 4946 1 100 . LEU . 4946 1 101 . ASP . 4946 1 102 . LEU . 4946 1 103 . GLY . 4946 1 104 . HIS . 4946 1 105 . VAL . 4946 1 106 . ALA . 4946 1 107 . LEU . 4946 1 108 . THR . 4946 1 109 . PHE . 4946 1 110 . GLY . 4946 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 . ALA 1 1 4946 1 . PRO 2 2 4946 1 . ALA 3 3 4946 1 . PHE 4 4 4946 1 . SER 5 5 4946 1 . VAL 6 6 4946 1 . SER 7 7 4946 1 . PRO 8 8 4946 1 . ALA 9 9 4946 1 . SER 10 10 4946 1 . GLY 11 11 4946 1 . LEU 12 12 4946 1 . SER 13 13 4946 1 . ASP 14 14 4946 1 . GLY 15 15 4946 1 . GLN 16 16 4946 1 . SER 17 17 4946 1 . VAL 18 18 4946 1 . SER 19 19 4946 1 . VAL 20 20 4946 1 . SER 21 21 4946 1 . VAL 22 22 4946 1 . SER 23 23 4946 1 . GLY 24 24 4946 1 . ALA 25 25 4946 1 . ALA 26 26 4946 1 . ALA 27 27 4946 1 . GLY 28 28 4946 1 . GLU 29 29 4946 1 . THR 30 30 4946 1 . TYR 31 31 4946 1 . TYR 32 32 4946 1 . ILE 33 33 4946 1 . ALA 34 34 4946 1 . GLN 35 35 4946 1 . CYS 36 36 4946 1 . ALA 37 37 4946 1 . PRO 38 38 4946 1 . VAL 39 39 4946 1 . GLY 40 40 4946 1 . GLY 41 41 4946 1 . GLN 42 42 4946 1 . ASP 43 43 4946 1 . ALA 44 44 4946 1 . CYS 45 45 4946 1 . ASN 46 46 4946 1 . PRO 47 47 4946 1 . ALA 48 48 4946 1 . THR 49 49 4946 1 . ALA 50 50 4946 1 . THR 51 51 4946 1 . SER 52 52 4946 1 . PHE 53 53 4946 1 . THR 54 54 4946 1 . THR 55 55 4946 1 . ASP 56 56 4946 1 . ALA 57 57 4946 1 . SER 58 58 4946 1 . GLY 59 59 4946 1 . ALA 60 60 4946 1 . ALA 61 61 4946 1 . SER 62 62 4946 1 . PHE 63 63 4946 1 . SER 64 64 4946 1 . PHE 65 65 4946 1 . VAL 66 66 4946 1 . VAL 67 67 4946 1 . ARG 68 68 4946 1 . LYS 69 69 4946 1 . SER 70 70 4946 1 . TYR 71 71 4946 1 . THR 72 72 4946 1 . GLY 73 73 4946 1 . SER 74 74 4946 1 . THR 75 75 4946 1 . PRO 76 76 4946 1 . GLU 77 77 4946 1 . GLY 78 78 4946 1 . THR 79 79 4946 1 . PRO 80 80 4946 1 . VAL 81 81 4946 1 . GLY 82 82 4946 1 . SER 83 83 4946 1 . VAL 84 84 4946 1 . ASP 85 85 4946 1 . CYS 86 86 4946 1 . ALA 87 87 4946 1 . THR 88 88 4946 1 . ALA 89 89 4946 1 . ALA 90 90 4946 1 . CYS 91 91 4946 1 . ASN 92 92 4946 1 . LEU 93 93 4946 1 . GLY 94 94 4946 1 . ALA 95 95 4946 1 . GLY 96 96 4946 1 . ASN 97 97 4946 1 . SER 98 98 4946 1 . GLY 99 99 4946 1 . LEU 100 100 4946 1 . ASP 101 101 4946 1 . LEU 102 102 4946 1 . GLY 103 103 4946 1 . HIS 104 104 4946 1 . VAL 105 105 4946 1 . ALA 106 106 4946 1 . LEU 107 107 4946 1 . THR 108 108 4946 1 . PHE 109 109 4946 1 . GLY 110 110 4946 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 4946 _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 $C-1027_apoprotein . 1908 . . 'Streptomyces globisporus' 'Streptomyces globisporus' . . Eubacteria . Streptomyces globisporus C-1027 . . . . . . . . . . . . . . . . . . . . 4946 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 4946 _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 $C-1027_apoprotein . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4946 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4946 _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 'C-1027 apoprotein' . . . 1 $C-1027_apoprotein . . . 6.6 7.6 mM . . . . 4946 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4946 _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 pH 5.0 0.1 n/a 4946 1 temperature 303 1 K 4946 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4946 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4946 _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 NMR_spectrometer Bruker AM . 600 . . . 4946 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 4946 _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 COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4946 1 2 HOHAHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4946 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4946 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4946 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4946 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HOHAHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4946 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4946 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shifts are expressed relative to DSS and measured with respect to the water resonance that has a chemical shift of 4.71ppm at 303K and pH5.0. ; 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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4946 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4946 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 COSY 1 $sample_1 . 4946 1 2 HOHAHA 1 $sample_1 . 4946 1 3 NOESY 1 $sample_1 . 4946 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 ALA HA H 1 4.43 0.01 . 1 . . . . . . . . 4946 1 2 . 1 1 1 1 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 4946 1 3 . 1 1 1 1 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4946 1 4 . 1 1 1 1 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4946 1 5 . 1 1 2 2 PRO HA H 1 4.78 0.01 . 1 . . . . . . . . 4946 1 6 . 1 1 2 2 PRO HB2 H 1 1.87 0.01 . 1 . . . . . . . . 4946 1 7 . 1 1 2 2 PRO HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4946 1 8 . 1 1 2 2 PRO HG2 H 1 2.03 0.01 . 2 . . . . . . . . 4946 1 9 . 1 1 2 2 PRO HG3 H 1 2.14 0.01 . 2 . . . . . . . . 4946 1 10 . 1 1 2 2 PRO HD2 H 1 3.67 0.01 . 2 . . . . . . . . 4946 1 11 . 1 1 2 2 PRO HD3 H 1 3.79 0.01 . 2 . . . . . . . . 4946 1 12 . 1 1 3 3 ALA H H 1 9.04 0.01 . 1 . . . . . . . . 4946 1 13 . 1 1 3 3 ALA HA H 1 4.74 0.01 . 1 . . . . . . . . 4946 1 14 . 1 1 3 3 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 15 . 1 1 3 3 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 16 . 1 1 3 3 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 17 . 1 1 4 4 PHE H H 1 8.25 0.01 . 1 . . . . . . . . 4946 1 18 . 1 1 4 4 PHE HA H 1 5.35 0.01 . 1 . . . . . . . . 4946 1 19 . 1 1 4 4 PHE HB2 H 1 2.84 0.01 . 1 . . . . . . . . 4946 1 20 . 1 1 4 4 PHE HB3 H 1 2.84 0.01 . 1 . . . . . . . . 4946 1 21 . 1 1 4 4 PHE HD1 H 1 6.85 0.01 . 1 . . . . . . . . 4946 1 22 . 1 1 4 4 PHE HD2 H 1 6.85 0.01 . 1 . . . . . . . . 4946 1 23 . 1 1 4 4 PHE HE1 H 1 6.85 0.01 . 1 . . . . . . . . 4946 1 24 . 1 1 4 4 PHE HE2 H 1 6.85 0.01 . 1 . . . . . . . . 4946 1 25 . 1 1 4 4 PHE HZ H 1 6.45 0.01 . 1 . . . . . . . . 4946 1 26 . 1 1 5 5 SER H H 1 8.69 0.01 . 1 . . . . . . . . 4946 1 27 . 1 1 5 5 SER HA H 1 4.49 0.01 . 1 . . . . . . . . 4946 1 28 . 1 1 5 5 SER HB2 H 1 3.56 0.01 . 1 . . . . . . . . 4946 1 29 . 1 1 5 5 SER HB3 H 1 3.56 0.01 . 1 . . . . . . . . 4946 1 30 . 1 1 6 6 VAL H H 1 7.86 0.01 . 1 . . . . . . . . 4946 1 31 . 1 1 6 6 VAL HA H 1 4.46 0.01 . 1 . . . . . . . . 4946 1 32 . 1 1 6 6 VAL HB H 1 1.57 0.01 . 1 . . . . . . . . 4946 1 33 . 1 1 6 6 VAL HG11 H 1 0.40 0.01 . 1 . . . . . . . . 4946 1 34 . 1 1 6 6 VAL HG12 H 1 0.40 0.01 . 1 . . . . . . . . 4946 1 35 . 1 1 6 6 VAL HG13 H 1 0.40 0.01 . 1 . . . . . . . . 4946 1 36 . 1 1 6 6 VAL HG21 H 1 0.60 0.01 . 1 . . . . . . . . 4946 1 37 . 1 1 6 6 VAL HG22 H 1 0.60 0.01 . 1 . . . . . . . . 4946 1 38 . 1 1 6 6 VAL HG23 H 1 0.60 0.01 . 1 . . . . . . . . 4946 1 39 . 1 1 7 7 SER H H 1 8.66 0.01 . 1 . . . . . . . . 4946 1 40 . 1 1 7 7 SER HA H 1 4.82 0.01 . 1 . . . . . . . . 4946 1 41 . 1 1 7 7 SER HB2 H 1 3.55 0.01 . 2 . . . . . . . . 4946 1 42 . 1 1 7 7 SER HB3 H 1 3.61 0.01 . 2 . . . . . . . . 4946 1 43 . 1 1 8 8 PRO HA H 1 4.87 0.01 . 1 . . . . . . . . 4946 1 44 . 1 1 8 8 PRO HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4946 1 45 . 1 1 8 8 PRO HB3 H 1 2.52 0.01 . 2 . . . . . . . . 4946 1 46 . 1 1 8 8 PRO HG2 H 1 1.79 0.01 . 2 . . . . . . . . 4946 1 47 . 1 1 8 8 PRO HG3 H 1 1.97 0.01 . 2 . . . . . . . . 4946 1 48 . 1 1 8 8 PRO HD2 H 1 3.58 0.01 . 2 . . . . . . . . 4946 1 49 . 1 1 8 8 PRO HD3 H 1 3.69 0.01 . 2 . . . . . . . . 4946 1 50 . 1 1 9 9 ALA H H 1 8.14 0.01 . 1 . . . . . . . . 4946 1 51 . 1 1 9 9 ALA HA H 1 4.54 0.01 . 1 . . . . . . . . 4946 1 52 . 1 1 9 9 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 4946 1 53 . 1 1 9 9 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 4946 1 54 . 1 1 9 9 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4946 1 55 . 1 1 10 10 SER H H 1 7.41 0.01 . 1 . . . . . . . . 4946 1 56 . 1 1 10 10 SER HA H 1 5.40 0.01 . 1 . . . . . . . . 4946 1 57 . 1 1 10 10 SER HB2 H 1 3.73 0.01 . 1 . . . . . . . . 4946 1 58 . 1 1 10 10 SER HB3 H 1 3.73 0.01 . 1 . . . . . . . . 4946 1 59 . 1 1 11 11 GLY H H 1 7.89 0.01 . 1 . . . . . . . . 4946 1 60 . 1 1 11 11 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 4946 1 61 . 1 1 11 11 GLY HA3 H 1 3.79 0.01 . 2 . . . . . . . . 4946 1 62 . 1 1 12 12 LEU H H 1 7.80 0.01 . 1 . . . . . . . . 4946 1 63 . 1 1 12 12 LEU HA H 1 4.30 0.01 . 1 . . . . . . . . 4946 1 64 . 1 1 12 12 LEU HB2 H 1 0.50 0.01 . 1 . . . . . . . . 4946 1 65 . 1 1 12 12 LEU HB3 H 1 0.50 0.01 . 1 . . . . . . . . 4946 1 66 . 1 1 12 12 LEU HG H 1 0.96 0.01 . 1 . . . . . . . . 4946 1 67 . 1 1 12 12 LEU HD11 H 1 0.21 0.01 . 1 . . . . . . . . 4946 1 68 . 1 1 12 12 LEU HD12 H 1 0.21 0.01 . 1 . . . . . . . . 4946 1 69 . 1 1 12 12 LEU HD13 H 1 0.21 0.01 . 1 . . . . . . . . 4946 1 70 . 1 1 12 12 LEU HD21 H 1 0.38 0.01 . 1 . . . . . . . . 4946 1 71 . 1 1 12 12 LEU HD22 H 1 0.38 0.01 . 1 . . . . . . . . 4946 1 72 . 1 1 12 12 LEU HD23 H 1 0.38 0.01 . 1 . . . . . . . . 4946 1 73 . 1 1 13 13 SER H H 1 8.58 0.01 . 1 . . . . . . . . 4946 1 74 . 1 1 13 13 SER HA H 1 5.00 0.01 . 1 . . . . . . . . 4946 1 75 . 1 1 13 13 SER HB2 H 1 3.82 0.01 . 2 . . . . . . . . 4946 1 76 . 1 1 13 13 SER HB3 H 1 3.94 0.01 . 2 . . . . . . . . 4946 1 77 . 1 1 14 14 ASP H H 1 9.20 0.01 . 1 . . . . . . . . 4946 1 78 . 1 1 14 14 ASP HA H 1 4.42 0.01 . 1 . . . . . . . . 4946 1 79 . 1 1 14 14 ASP HB2 H 1 2.74 0.01 . 1 . . . . . . . . 4946 1 80 . 1 1 14 14 ASP HB3 H 1 2.74 0.01 . 1 . . . . . . . . 4946 1 81 . 1 1 15 15 GLY H H 1 8.92 0.01 . 1 . . . . . . . . 4946 1 82 . 1 1 15 15 GLY HA2 H 1 3.47 0.01 . 1 . . . . . . . . 4946 1 83 . 1 1 15 15 GLY HA3 H 1 4.22 0.01 . 1 . . . . . . . . 4946 1 84 . 1 1 16 16 GLN H H 1 7.68 0.01 . 1 . . . . . . . . 4946 1 85 . 1 1 16 16 GLN HA H 1 4.19 0.01 . 1 . . . . . . . . 4946 1 86 . 1 1 16 16 GLN HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4946 1 87 . 1 1 16 16 GLN HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4946 1 88 . 1 1 16 16 GLN HG2 H 1 2.35 0.01 . 1 . . . . . . . . 4946 1 89 . 1 1 16 16 GLN HG3 H 1 2.35 0.01 . 1 . . . . . . . . 4946 1 90 . 1 1 16 16 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 4946 1 91 . 1 1 16 16 GLN HE22 H 1 7.56 0.01 . 2 . . . . . . . . 4946 1 92 . 1 1 17 17 SER H H 1 8.53 0.01 . 1 . . . . . . . . 4946 1 93 . 1 1 17 17 SER HA H 1 5.17 0.01 . 1 . . . . . . . . 4946 1 94 . 1 1 17 17 SER HB2 H 1 3.78 0.01 . 1 . . . . . . . . 4946 1 95 . 1 1 17 17 SER HB3 H 1 3.78 0.01 . 1 . . . . . . . . 4946 1 96 . 1 1 18 18 VAL H H 1 9.42 0.01 . 1 . . . . . . . . 4946 1 97 . 1 1 18 18 VAL HA H 1 4.76 0.01 . 1 . . . . . . . . 4946 1 98 . 1 1 18 18 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . 4946 1 99 . 1 1 18 18 VAL HG11 H 1 0.88 0.01 . 1 . . . . . . . . 4946 1 100 . 1 1 18 18 VAL HG12 H 1 0.88 0.01 . 1 . . . . . . . . 4946 1 101 . 1 1 18 18 VAL HG13 H 1 0.88 0.01 . 1 . . . . . . . . 4946 1 102 . 1 1 18 18 VAL HG21 H 1 0.83 0.01 . 1 . . . . . . . . 4946 1 103 . 1 1 18 18 VAL HG22 H 1 0.83 0.01 . 1 . . . . . . . . 4946 1 104 . 1 1 18 18 VAL HG23 H 1 0.83 0.01 . 1 . . . . . . . . 4946 1 105 . 1 1 19 19 SER H H 1 8.47 0.01 . 1 . . . . . . . . 4946 1 106 . 1 1 19 19 SER HA H 1 4.64 0.01 . 1 . . . . . . . . 4946 1 107 . 1 1 19 19 SER HB2 H 1 3.83 0.01 . 1 . . . . . . . . 4946 1 108 . 1 1 19 19 SER HB3 H 1 3.83 0.01 . 1 . . . . . . . . 4946 1 109 . 1 1 20 20 VAL H H 1 8.94 0.01 . 1 . . . . . . . . 4946 1 110 . 1 1 20 20 VAL HA H 1 4.29 0.01 . 1 . . . . . . . . 4946 1 111 . 1 1 20 20 VAL HB H 1 0.41 0.01 . 1 . . . . . . . . 4946 1 112 . 1 1 20 20 VAL HG11 H 1 0.21 0.01 . 1 . . . . . . . . 4946 1 113 . 1 1 20 20 VAL HG12 H 1 0.21 0.01 . 1 . . . . . . . . 4946 1 114 . 1 1 20 20 VAL HG13 H 1 0.21 0.01 . 1 . . . . . . . . 4946 1 115 . 1 1 20 20 VAL HG21 H 1 0.41 0.01 . 1 . . . . . . . . 4946 1 116 . 1 1 20 20 VAL HG22 H 1 0.41 0.01 . 1 . . . . . . . . 4946 1 117 . 1 1 20 20 VAL HG23 H 1 0.41 0.01 . 1 . . . . . . . . 4946 1 118 . 1 1 21 21 SER H H 1 8.51 0.01 . 1 . . . . . . . . 4946 1 119 . 1 1 21 21 SER HA H 1 5.00 0.01 . 1 . . . . . . . . 4946 1 120 . 1 1 21 21 SER HB2 H 1 3.53 0.01 . 2 . . . . . . . . 4946 1 121 . 1 1 21 21 SER HB3 H 1 3.63 0.01 . 2 . . . . . . . . 4946 1 122 . 1 1 22 22 VAL H H 1 9.00 0.01 . 1 . . . . . . . . 4946 1 123 . 1 1 22 22 VAL HA H 1 5.17 0.01 . 1 . . . . . . . . 4946 1 124 . 1 1 22 22 VAL HB H 1 1.89 0.01 . 1 . . . . . . . . 4946 1 125 . 1 1 22 22 VAL HG11 H 1 0.88 0.01 . 2 . . . . . . . . 4946 1 126 . 1 1 22 22 VAL HG12 H 1 0.88 0.01 . 2 . . . . . . . . 4946 1 127 . 1 1 22 22 VAL HG13 H 1 0.88 0.01 . 2 . . . . . . . . 4946 1 128 . 1 1 22 22 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . 4946 1 129 . 1 1 22 22 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . 4946 1 130 . 1 1 22 22 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . 4946 1 131 . 1 1 23 23 SER H H 1 8.90 0.01 . 1 . . . . . . . . 4946 1 132 . 1 1 23 23 SER HA H 1 4.90 0.01 . 1 . . . . . . . . 4946 1 133 . 1 1 23 23 SER HB2 H 1 3.86 0.01 . 1 . . . . . . . . 4946 1 134 . 1 1 23 23 SER HB3 H 1 3.86 0.01 . 1 . . . . . . . . 4946 1 135 . 1 1 24 24 GLY H H 1 9.33 0.01 . 1 . . . . . . . . 4946 1 136 . 1 1 24 24 GLY HA2 H 1 3.94 0.01 . 1 . . . . . . . . 4946 1 137 . 1 1 24 24 GLY HA3 H 1 3.94 0.01 . 1 . . . . . . . . 4946 1 138 . 1 1 25 25 ALA H H 1 8.41 0.01 . 1 . . . . . . . . 4946 1 139 . 1 1 25 25 ALA HA H 1 4.41 0.01 . 1 . . . . . . . . 4946 1 140 . 1 1 25 25 ALA HB1 H 1 1.29 0.01 . 1 . . . . . . . . 4946 1 141 . 1 1 25 25 ALA HB2 H 1 1.29 0.01 . 1 . . . . . . . . 4946 1 142 . 1 1 25 25 ALA HB3 H 1 1.29 0.01 . 1 . . . . . . . . 4946 1 143 . 1 1 26 26 ALA H H 1 7.50 0.01 . 1 . . . . . . . . 4946 1 144 . 1 1 26 26 ALA HA H 1 4.35 0.01 . 1 . . . . . . . . 4946 1 145 . 1 1 26 26 ALA HB1 H 1 1.35 0.01 . 1 . . . . . . . . 4946 1 146 . 1 1 26 26 ALA HB2 H 1 1.35 0.01 . 1 . . . . . . . . 4946 1 147 . 1 1 26 26 ALA HB3 H 1 1.35 0.01 . 1 . . . . . . . . 4946 1 148 . 1 1 27 27 ALA H H 1 8.63 0.01 . 1 . . . . . . . . 4946 1 149 . 1 1 27 27 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 4946 1 150 . 1 1 27 27 ALA HB1 H 1 1.37 0.01 . 1 . . . . . . . . 4946 1 151 . 1 1 27 27 ALA HB2 H 1 1.37 0.01 . 1 . . . . . . . . 4946 1 152 . 1 1 27 27 ALA HB3 H 1 1.37 0.01 . 1 . . . . . . . . 4946 1 153 . 1 1 28 28 GLY H H 1 7.44 0.01 . 1 . . . . . . . . 4946 1 154 . 1 1 28 28 GLY HA2 H 1 3.91 0.01 . 1 . . . . . . . . 4946 1 155 . 1 1 28 28 GLY HA3 H 1 3.71 0.01 . 1 . . . . . . . . 4946 1 156 . 1 1 29 29 GLU H H 1 7.39 0.01 . 1 . . . . . . . . 4946 1 157 . 1 1 29 29 GLU HA H 1 4.47 0.01 . 1 . . . . . . . . 4946 1 158 . 1 1 29 29 GLU HB2 H 1 1.46 0.01 . 2 . . . . . . . . 4946 1 159 . 1 1 29 29 GLU HB3 H 1 1.48 0.01 . 2 . . . . . . . . 4946 1 160 . 1 1 29 29 GLU HG2 H 1 1.81 0.01 . 2 . . . . . . . . 4946 1 161 . 1 1 29 29 GLU HG3 H 1 1.92 0.01 . 2 . . . . . . . . 4946 1 162 . 1 1 30 30 THR H H 1 8.35 0.01 . 1 . . . . . . . . 4946 1 163 . 1 1 30 30 THR HA H 1 4.78 0.01 . 1 . . . . . . . . 4946 1 164 . 1 1 30 30 THR HB H 1 3.60 0.01 . 1 . . . . . . . . 4946 1 165 . 1 1 30 30 THR HG21 H 1 0.83 0.01 . 1 . . . . . . . . 4946 1 166 . 1 1 30 30 THR HG22 H 1 0.83 0.01 . 1 . . . . . . . . 4946 1 167 . 1 1 30 30 THR HG23 H 1 0.83 0.01 . 1 . . . . . . . . 4946 1 168 . 1 1 31 31 TYR H H 1 8.72 0.01 . 1 . . . . . . . . 4946 1 169 . 1 1 31 31 TYR HA H 1 4.18 0.01 . 1 . . . . . . . . 4946 1 170 . 1 1 31 31 TYR HB2 H 1 1.07 0.01 . 2 . . . . . . . . 4946 1 171 . 1 1 31 31 TYR HB3 H 1 2.17 0.01 . 2 . . . . . . . . 4946 1 172 . 1 1 31 31 TYR HD1 H 1 6.48 0.01 . 1 . . . . . . . . 4946 1 173 . 1 1 31 31 TYR HD2 H 1 6.48 0.01 . 1 . . . . . . . . 4946 1 174 . 1 1 31 31 TYR HE1 H 1 6.74 0.01 . 1 . . . . . . . . 4946 1 175 . 1 1 31 31 TYR HE2 H 1 6.74 0.01 . 1 . . . . . . . . 4946 1 176 . 1 1 32 32 TYR H H 1 8.53 0.01 . 1 . . . . . . . . 4946 1 177 . 1 1 32 32 TYR HA H 1 5.15 0.01 . 1 . . . . . . . . 4946 1 178 . 1 1 32 32 TYR HB2 H 1 2.91 0.01 . 2 . . . . . . . . 4946 1 179 . 1 1 32 32 TYR HB3 H 1 3.26 0.01 . 2 . . . . . . . . 4946 1 180 . 1 1 32 32 TYR HD1 H 1 7.18 0.01 . 1 . . . . . . . . 4946 1 181 . 1 1 32 32 TYR HD2 H 1 7.18 0.01 . 1 . . . . . . . . 4946 1 182 . 1 1 32 32 TYR HE1 H 1 6.75 0.01 . 1 . . . . . . . . 4946 1 183 . 1 1 32 32 TYR HE2 H 1 6.75 0.01 . 1 . . . . . . . . 4946 1 184 . 1 1 33 33 ILE H H 1 9.05 0.01 . 1 . . . . . . . . 4946 1 185 . 1 1 33 33 ILE HA H 1 5.69 0.01 . 1 . . . . . . . . 4946 1 186 . 1 1 33 33 ILE HB H 1 1.87 0.01 . 1 . . . . . . . . 4946 1 187 . 1 1 33 33 ILE HG12 H 1 0.71 0.01 . 2 . . . . . . . . 4946 1 188 . 1 1 33 33 ILE HG13 H 1 1.69 0.01 . 2 . . . . . . . . 4946 1 189 . 1 1 33 33 ILE HG21 H 1 1.25 0.01 . 1 . . . . . . . . 4946 1 190 . 1 1 33 33 ILE HG22 H 1 1.25 0.01 . 1 . . . . . . . . 4946 1 191 . 1 1 33 33 ILE HG23 H 1 1.25 0.01 . 1 . . . . . . . . 4946 1 192 . 1 1 33 33 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 193 . 1 1 33 33 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 194 . 1 1 33 33 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 195 . 1 1 34 34 ALA H H 1 8.11 0.01 . 1 . . . . . . . . 4946 1 196 . 1 1 34 34 ALA HA H 1 4.93 0.01 . 1 . . . . . . . . 4946 1 197 . 1 1 34 34 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 4946 1 198 . 1 1 34 34 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 4946 1 199 . 1 1 34 34 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 4946 1 200 . 1 1 35 35 GLN H H 1 10.24 0.01 . 1 . . . . . . . . 4946 1 201 . 1 1 35 35 GLN HA H 1 5.38 0.01 . 1 . . . . . . . . 4946 1 202 . 1 1 35 35 GLN HB2 H 1 2.02 0.01 . 1 . . . . . . . . 4946 1 203 . 1 1 35 35 GLN HB3 H 1 2.02 0.01 . 1 . . . . . . . . 4946 1 204 . 1 1 35 35 GLN HG2 H 1 2.36 0.01 . 2 . . . . . . . . 4946 1 205 . 1 1 35 35 GLN HG3 H 1 2.48 0.01 . 2 . . . . . . . . 4946 1 206 . 1 1 35 35 GLN HE21 H 1 5.91 0.01 . 2 . . . . . . . . 4946 1 207 . 1 1 35 35 GLN HE22 H 1 9.37 0.01 . 2 . . . . . . . . 4946 1 208 . 1 1 36 36 CYS H H 1 8.81 0.01 . 1 . . . . . . . . 4946 1 209 . 1 1 36 36 CYS HA H 1 5.59 0.01 . 1 . . . . . . . . 4946 1 210 . 1 1 36 36 CYS HB2 H 1 2.69 0.01 . 2 . . . . . . . . 4946 1 211 . 1 1 36 36 CYS HB3 H 1 3.26 0.01 . 2 . . . . . . . . 4946 1 212 . 1 1 37 37 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 4946 1 213 . 1 1 37 37 ALA HA H 1 4.96 0.01 . 1 . . . . . . . . 4946 1 214 . 1 1 37 37 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 215 . 1 1 37 37 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 216 . 1 1 37 37 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 217 . 1 1 38 38 PRO HA H 1 5.05 0.01 . 1 . . . . . . . . 4946 1 218 . 1 1 38 38 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 4946 1 219 . 1 1 38 38 PRO HB3 H 1 2.08 0.01 . 1 . . . . . . . . 4946 1 220 . 1 1 38 38 PRO HG2 H 1 2.06 0.01 . 2 . . . . . . . . 4946 1 221 . 1 1 38 38 PRO HG3 H 1 2.35 0.01 . 2 . . . . . . . . 4946 1 222 . 1 1 38 38 PRO HD2 H 1 3.68 0.01 . 2 . . . . . . . . 4946 1 223 . 1 1 38 38 PRO HD3 H 1 3.88 0.01 . 2 . . . . . . . . 4946 1 224 . 1 1 39 39 VAL H H 1 9.01 0.01 . 1 . . . . . . . . 4946 1 225 . 1 1 39 39 VAL HA H 1 4.25 0.01 . 1 . . . . . . . . 4946 1 226 . 1 1 39 39 VAL HB H 1 1.75 0.01 . 1 . . . . . . . . 4946 1 227 . 1 1 39 39 VAL HG11 H 1 0.84 0.01 . 2 . . . . . . . . 4946 1 228 . 1 1 39 39 VAL HG12 H 1 0.84 0.01 . 2 . . . . . . . . 4946 1 229 . 1 1 39 39 VAL HG13 H 1 0.84 0.01 . 2 . . . . . . . . 4946 1 230 . 1 1 39 39 VAL HG21 H 1 0.88 0.01 . 2 . . . . . . . . 4946 1 231 . 1 1 39 39 VAL HG22 H 1 0.88 0.01 . 2 . . . . . . . . 4946 1 232 . 1 1 39 39 VAL HG23 H 1 0.88 0.01 . 2 . . . . . . . . 4946 1 233 . 1 1 40 40 GLY H H 1 9.05 0.01 . 1 . . . . . . . . 4946 1 234 . 1 1 40 40 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 4946 1 235 . 1 1 40 40 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 4946 1 236 . 1 1 41 41 GLY H H 1 8.64 0.01 . 1 . . . . . . . . 4946 1 237 . 1 1 41 41 GLY HA2 H 1 3.74 0.01 . 2 . . . . . . . . 4946 1 238 . 1 1 41 41 GLY HA3 H 1 4.13 0.01 . 2 . . . . . . . . 4946 1 239 . 1 1 42 42 GLN H H 1 7.73 0.01 . 1 . . . . . . . . 4946 1 240 . 1 1 42 42 GLN HA H 1 4.68 0.01 . 1 . . . . . . . . 4946 1 241 . 1 1 42 42 GLN HB2 H 1 1.97 0.01 . 1 . . . . . . . . 4946 1 242 . 1 1 42 42 GLN HB3 H 1 1.97 0.01 . 1 . . . . . . . . 4946 1 243 . 1 1 42 42 GLN HG2 H 1 2.30 0.01 . 1 . . . . . . . . 4946 1 244 . 1 1 42 42 GLN HG3 H 1 2.30 0.01 . 1 . . . . . . . . 4946 1 245 . 1 1 43 43 ASP H H 1 8.66 0.01 . 1 . . . . . . . . 4946 1 246 . 1 1 43 43 ASP HA H 1 4.82 0.01 . 1 . . . . . . . . 4946 1 247 . 1 1 43 43 ASP HB2 H 1 2.56 0.01 . 2 . . . . . . . . 4946 1 248 . 1 1 43 43 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 4946 1 249 . 1 1 44 44 ALA H H 1 8.94 0.01 . 1 . . . . . . . . 4946 1 250 . 1 1 44 44 ALA HA H 1 4.46 0.01 . 1 . . . . . . . . 4946 1 251 . 1 1 44 44 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 252 . 1 1 44 44 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 253 . 1 1 44 44 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 254 . 1 1 45 45 CYS H H 1 9.49 0.01 . 1 . . . . . . . . 4946 1 255 . 1 1 45 45 CYS HA H 1 6.01 0.01 . 1 . . . . . . . . 4946 1 256 . 1 1 45 45 CYS HB2 H 1 2.82 0.01 . 2 . . . . . . . . 4946 1 257 . 1 1 45 45 CYS HB3 H 1 3.05 0.01 . 2 . . . . . . . . 4946 1 258 . 1 1 46 46 ASN H H 1 8.34 0.01 . 1 . . . . . . . . 4946 1 259 . 1 1 46 46 ASN HA H 1 4.97 0.01 . 1 . . . . . . . . 4946 1 260 . 1 1 46 46 ASN HB2 H 1 0.99 0.01 . 2 . . . . . . . . 4946 1 261 . 1 1 46 46 ASN HB3 H 1 3.02 0.01 . 2 . . . . . . . . 4946 1 262 . 1 1 46 46 ASN HD21 H 1 6.50 0.01 . 2 . . . . . . . . 4946 1 263 . 1 1 46 46 ASN HD22 H 1 7.65 0.01 . 2 . . . . . . . . 4946 1 264 . 1 1 47 47 PRO HA H 1 4.46 0.01 . 1 . . . . . . . . 4946 1 265 . 1 1 47 47 PRO HB2 H 1 2.06 0.01 . 2 . . . . . . . . 4946 1 266 . 1 1 47 47 PRO HB3 H 1 2.35 0.01 . 2 . . . . . . . . 4946 1 267 . 1 1 47 47 PRO HG2 H 1 2.19 0.01 . 1 . . . . . . . . 4946 1 268 . 1 1 47 47 PRO HG3 H 1 2.19 0.01 . 1 . . . . . . . . 4946 1 269 . 1 1 47 47 PRO HD2 H 1 4.43 0.01 . 2 . . . . . . . . 4946 1 270 . 1 1 47 47 PRO HD3 H 1 4.76 0.01 . 2 . . . . . . . . 4946 1 271 . 1 1 48 48 ALA H H 1 7.08 0.01 . 1 . . . . . . . . 4946 1 272 . 1 1 48 48 ALA HA H 1 4.26 0.01 . 1 . . . . . . . . 4946 1 273 . 1 1 48 48 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 4946 1 274 . 1 1 48 48 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 4946 1 275 . 1 1 48 48 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4946 1 276 . 1 1 49 49 THR H H 1 6.64 0.01 . 1 . . . . . . . . 4946 1 277 . 1 1 49 49 THR HA H 1 4.30 0.01 . 1 . . . . . . . . 4946 1 278 . 1 1 49 49 THR HB H 1 4.00 0.01 . 1 . . . . . . . . 4946 1 279 . 1 1 49 49 THR HG1 H 1 6.03 0.01 . 1 . . . . . . . . 4946 1 280 . 1 1 49 49 THR HG21 H 1 0.98 0.01 . 1 . . . . . . . . 4946 1 281 . 1 1 49 49 THR HG22 H 1 0.98 0.01 . 1 . . . . . . . . 4946 1 282 . 1 1 49 49 THR HG23 H 1 0.98 0.01 . 1 . . . . . . . . 4946 1 283 . 1 1 50 50 ALA H H 1 6.72 0.01 . 1 . . . . . . . . 4946 1 284 . 1 1 50 50 ALA HA H 1 4.90 0.01 . 1 . . . . . . . . 4946 1 285 . 1 1 50 50 ALA HB1 H 1 1.59 0.01 . 1 . . . . . . . . 4946 1 286 . 1 1 50 50 ALA HB2 H 1 1.59 0.01 . 1 . . . . . . . . 4946 1 287 . 1 1 50 50 ALA HB3 H 1 1.59 0.01 . 1 . . . . . . . . 4946 1 288 . 1 1 51 51 THR H H 1 8.79 0.01 . 1 . . . . . . . . 4946 1 289 . 1 1 51 51 THR HA H 1 4.99 0.01 . 1 . . . . . . . . 4946 1 290 . 1 1 51 51 THR HB H 1 4.21 0.01 . 1 . . . . . . . . 4946 1 291 . 1 1 51 51 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 292 . 1 1 51 51 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 293 . 1 1 51 51 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . 4946 1 294 . 1 1 52 52 SER H H 1 8.64 0.01 . 1 . . . . . . . . 4946 1 295 . 1 1 52 52 SER HA H 1 5.70 0.01 . 1 . . . . . . . . 4946 1 296 . 1 1 52 52 SER HB2 H 1 3.54 0.01 . 2 . . . . . . . . 4946 1 297 . 1 1 52 52 SER HB3 H 1 3.68 0.01 . 2 . . . . . . . . 4946 1 298 . 1 1 53 53 PHE H H 1 8.81 0.01 . 1 . . . . . . . . 4946 1 299 . 1 1 53 53 PHE HA H 1 4.90 0.01 . 1 . . . . . . . . 4946 1 300 . 1 1 53 53 PHE HB2 H 1 2.35 0.01 . 2 . . . . . . . . 4946 1 301 . 1 1 53 53 PHE HB3 H 1 2.71 0.01 . 2 . . . . . . . . 4946 1 302 . 1 1 53 53 PHE HD1 H 1 6.71 0.01 . 1 . . . . . . . . 4946 1 303 . 1 1 53 53 PHE HD2 H 1 6.71 0.01 . 1 . . . . . . . . 4946 1 304 . 1 1 53 53 PHE HE1 H 1 6.82 0.01 . 1 . . . . . . . . 4946 1 305 . 1 1 53 53 PHE HE2 H 1 6.82 0.01 . 1 . . . . . . . . 4946 1 306 . 1 1 53 53 PHE HZ H 1 6.61 0.01 . 1 . . . . . . . . 4946 1 307 . 1 1 54 54 THR H H 1 8.59 0.01 . 1 . . . . . . . . 4946 1 308 . 1 1 54 54 THR HA H 1 5.50 0.01 . 1 . . . . . . . . 4946 1 309 . 1 1 54 54 THR HB H 1 3.82 0.01 . 1 . . . . . . . . 4946 1 310 . 1 1 54 54 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 4946 1 311 . 1 1 54 54 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 4946 1 312 . 1 1 54 54 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 4946 1 313 . 1 1 55 55 THR H H 1 8.93 0.01 . 1 . . . . . . . . 4946 1 314 . 1 1 55 55 THR HA H 1 4.58 0.01 . 1 . . . . . . . . 4946 1 315 . 1 1 55 55 THR HB H 1 4.48 0.01 . 1 . . . . . . . . 4946 1 316 . 1 1 55 55 THR HG1 H 1 6.18 0.01 . 1 . . . . . . . . 4946 1 317 . 1 1 55 55 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 4946 1 318 . 1 1 55 55 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 4946 1 319 . 1 1 55 55 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 4946 1 320 . 1 1 56 56 ASP H H 1 9.05 0.01 . 1 . . . . . . . . 4946 1 321 . 1 1 56 56 ASP HA H 1 4.74 0.01 . 1 . . . . . . . . 4946 1 322 . 1 1 56 56 ASP HB2 H 1 2.98 0.01 . 2 . . . . . . . . 4946 1 323 . 1 1 56 56 ASP HB3 H 1 3.52 0.01 . 2 . . . . . . . . 4946 1 324 . 1 1 57 57 ALA H H 1 8.28 0.01 . 1 . . . . . . . . 4946 1 325 . 1 1 57 57 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 4946 1 326 . 1 1 57 57 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 4946 1 327 . 1 1 57 57 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4946 1 328 . 1 1 57 57 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4946 1 329 . 1 1 58 58 SER H H 1 8.73 0.01 . 1 . . . . . . . . 4946 1 330 . 1 1 58 58 SER HA H 1 4.72 0.01 . 1 . . . . . . . . 4946 1 331 . 1 1 58 58 SER HB2 H 1 3.97 0.01 . 2 . . . . . . . . 4946 1 332 . 1 1 58 58 SER HB3 H 1 4.08 0.01 . 2 . . . . . . . . 4946 1 333 . 1 1 59 59 GLY H H 1 8.43 0.01 . 1 . . . . . . . . 4946 1 334 . 1 1 59 59 GLY HA2 H 1 4.27 0.01 . 1 . . . . . . . . 4946 1 335 . 1 1 59 59 GLY HA3 H 1 3.36 0.01 . 1 . . . . . . . . 4946 1 336 . 1 1 60 60 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 4946 1 337 . 1 1 60 60 ALA HA H 1 5.26 0.01 . 1 . . . . . . . . 4946 1 338 . 1 1 60 60 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 4946 1 339 . 1 1 60 60 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 4946 1 340 . 1 1 60 60 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 4946 1 341 . 1 1 61 61 ALA H H 1 8.58 0.01 . 1 . . . . . . . . 4946 1 342 . 1 1 61 61 ALA HA H 1 4.73 0.01 . 1 . . . . . . . . 4946 1 343 . 1 1 61 61 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4946 1 344 . 1 1 61 61 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4946 1 345 . 1 1 61 61 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4946 1 346 . 1 1 62 62 SER H H 1 8.64 0.01 . 1 . . . . . . . . 4946 1 347 . 1 1 62 62 SER HA H 1 5.28 0.01 . 1 . . . . . . . . 4946 1 348 . 1 1 62 62 SER HB2 H 1 3.81 0.01 . 1 . . . . . . . . 4946 1 349 . 1 1 62 62 SER HB3 H 1 3.81 0.01 . 1 . . . . . . . . 4946 1 350 . 1 1 63 63 PHE H H 1 8.20 0.01 . 1 . . . . . . . . 4946 1 351 . 1 1 63 63 PHE HA H 1 4.99 0.01 . 1 . . . . . . . . 4946 1 352 . 1 1 63 63 PHE HB2 H 1 3.27 0.01 . 2 . . . . . . . . 4946 1 353 . 1 1 63 63 PHE HB3 H 1 3.48 0.01 . 2 . . . . . . . . 4946 1 354 . 1 1 63 63 PHE HD1 H 1 6.95 0.01 . 1 . . . . . . . . 4946 1 355 . 1 1 63 63 PHE HD2 H 1 6.95 0.01 . 1 . . . . . . . . 4946 1 356 . 1 1 63 63 PHE HE1 H 1 6.27 0.01 . 1 . . . . . . . . 4946 1 357 . 1 1 63 63 PHE HE2 H 1 6.27 0.01 . 1 . . . . . . . . 4946 1 358 . 1 1 63 63 PHE HZ H 1 6.27 0.01 . 1 . . . . . . . . 4946 1 359 . 1 1 64 64 SER H H 1 8.71 0.01 . 1 . . . . . . . . 4946 1 360 . 1 1 64 64 SER HA H 1 5.66 0.01 . 1 . . . . . . . . 4946 1 361 . 1 1 64 64 SER HB2 H 1 3.80 0.01 . 2 . . . . . . . . 4946 1 362 . 1 1 64 64 SER HB3 H 1 3.85 0.01 . 2 . . . . . . . . 4946 1 363 . 1 1 65 65 PHE H H 1 9.05 0.01 . 1 . . . . . . . . 4946 1 364 . 1 1 65 65 PHE HA H 1 4.66 0.01 . 1 . . . . . . . . 4946 1 365 . 1 1 65 65 PHE HB2 H 1 2.71 0.01 . 2 . . . . . . . . 4946 1 366 . 1 1 65 65 PHE HB3 H 1 2.77 0.01 . 2 . . . . . . . . 4946 1 367 . 1 1 65 65 PHE HD1 H 1 7.03 0.01 . 1 . . . . . . . . 4946 1 368 . 1 1 65 65 PHE HD2 H 1 7.03 0.01 . 1 . . . . . . . . 4946 1 369 . 1 1 65 65 PHE HE1 H 1 7.35 0.01 . 1 . . . . . . . . 4946 1 370 . 1 1 65 65 PHE HE2 H 1 7.35 0.01 . 1 . . . . . . . . 4946 1 371 . 1 1 65 65 PHE HZ H 1 7.19 0.01 . 1 . . . . . . . . 4946 1 372 . 1 1 66 66 VAL H H 1 8.10 0.01 . 1 . . . . . . . . 4946 1 373 . 1 1 66 66 VAL HA H 1 4.44 0.01 . 1 . . . . . . . . 4946 1 374 . 1 1 66 66 VAL HB H 1 1.74 0.01 . 1 . . . . . . . . 4946 1 375 . 1 1 66 66 VAL HG11 H 1 0.65 0.01 . 1 . . . . . . . . 4946 1 376 . 1 1 66 66 VAL HG12 H 1 0.65 0.01 . 1 . . . . . . . . 4946 1 377 . 1 1 66 66 VAL HG13 H 1 0.65 0.01 . 1 . . . . . . . . 4946 1 378 . 1 1 66 66 VAL HG21 H 1 0.84 0.01 . 1 . . . . . . . . 4946 1 379 . 1 1 66 66 VAL HG22 H 1 0.84 0.01 . 1 . . . . . . . . 4946 1 380 . 1 1 66 66 VAL HG23 H 1 0.84 0.01 . 1 . . . . . . . . 4946 1 381 . 1 1 67 67 VAL H H 1 8.54 0.01 . 1 . . . . . . . . 4946 1 382 . 1 1 67 67 VAL HA H 1 4.62 0.01 . 1 . . . . . . . . 4946 1 383 . 1 1 67 67 VAL HB H 1 2.26 0.01 . 1 . . . . . . . . 4946 1 384 . 1 1 67 67 VAL HG11 H 1 1.14 0.01 . 1 . . . . . . . . 4946 1 385 . 1 1 67 67 VAL HG12 H 1 1.14 0.01 . 1 . . . . . . . . 4946 1 386 . 1 1 67 67 VAL HG13 H 1 1.14 0.01 . 1 . . . . . . . . 4946 1 387 . 1 1 67 67 VAL HG21 H 1 1.27 0.01 . 1 . . . . . . . . 4946 1 388 . 1 1 67 67 VAL HG22 H 1 1.27 0.01 . 1 . . . . . . . . 4946 1 389 . 1 1 67 67 VAL HG23 H 1 1.27 0.01 . 1 . . . . . . . . 4946 1 390 . 1 1 68 68 ARG H H 1 8.60 0.01 . 1 . . . . . . . . 4946 1 391 . 1 1 68 68 ARG HA H 1 5.11 0.01 . 1 . . . . . . . . 4946 1 392 . 1 1 68 68 ARG HB2 H 1 1.53 0.01 . 2 . . . . . . . . 4946 1 393 . 1 1 68 68 ARG HB3 H 1 2.17 0.01 . 2 . . . . . . . . 4946 1 394 . 1 1 68 68 ARG HG2 H 1 1.41 0.01 . 2 . . . . . . . . 4946 1 395 . 1 1 68 68 ARG HG3 H 1 1.86 0.01 . 2 . . . . . . . . 4946 1 396 . 1 1 68 68 ARG HD2 H 1 3.23 0.01 . 2 . . . . . . . . 4946 1 397 . 1 1 68 68 ARG HD3 H 1 3.34 0.01 . 2 . . . . . . . . 4946 1 398 . 1 1 68 68 ARG HE H 1 8.35 0.01 . 1 . . . . . . . . 4946 1 399 . 1 1 69 69 LYS H H 1 9.95 0.01 . 1 . . . . . . . . 4946 1 400 . 1 1 69 69 LYS HA H 1 2.26 0.01 . 1 . . . . . . . . 4946 1 401 . 1 1 69 69 LYS HB2 H 1 1.65 0.01 . 1 . . . . . . . . 4946 1 402 . 1 1 69 69 LYS HB3 H 1 1.65 0.01 . 1 . . . . . . . . 4946 1 403 . 1 1 69 69 LYS HG2 H 1 0.68 0.01 . 2 . . . . . . . . 4946 1 404 . 1 1 69 69 LYS HG3 H 1 1.22 0.01 . 2 . . . . . . . . 4946 1 405 . 1 1 69 69 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 4946 1 406 . 1 1 69 69 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 4946 1 407 . 1 1 69 69 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 4946 1 408 . 1 1 69 69 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 4946 1 409 . 1 1 70 70 SER H H 1 7.13 0.01 . 1 . . . . . . . . 4946 1 410 . 1 1 70 70 SER HA H 1 5.30 0.01 . 1 . . . . . . . . 4946 1 411 . 1 1 70 70 SER HB2 H 1 3.64 0.01 . 2 . . . . . . . . 4946 1 412 . 1 1 70 70 SER HB3 H 1 3.73 0.01 . 2 . . . . . . . . 4946 1 413 . 1 1 71 71 TYR H H 1 8.22 0.01 . 1 . . . . . . . . 4946 1 414 . 1 1 71 71 TYR HA H 1 4.84 0.01 . 1 . . . . . . . . 4946 1 415 . 1 1 71 71 TYR HB2 H 1 2.82 0.01 . 2 . . . . . . . . 4946 1 416 . 1 1 71 71 TYR HB3 H 1 3.05 0.01 . 2 . . . . . . . . 4946 1 417 . 1 1 71 71 TYR HD1 H 1 6.48 0.01 . 1 . . . . . . . . 4946 1 418 . 1 1 71 71 TYR HD2 H 1 6.48 0.01 . 1 . . . . . . . . 4946 1 419 . 1 1 71 71 TYR HE1 H 1 6.48 0.01 . 1 . . . . . . . . 4946 1 420 . 1 1 71 71 TYR HE2 H 1 6.48 0.01 . 1 . . . . . . . . 4946 1 421 . 1 1 71 71 TYR HH H 1 7.68 0.01 . 1 . . . . . . . . 4946 1 422 . 1 1 72 72 THR H H 1 8.79 0.01 . 1 . . . . . . . . 4946 1 423 . 1 1 72 72 THR HA H 1 4.31 0.01 . 1 . . . . . . . . 4946 1 424 . 1 1 72 72 THR HB H 1 4.17 0.01 . 1 . . . . . . . . 4946 1 425 . 1 1 72 72 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 4946 1 426 . 1 1 72 72 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 4946 1 427 . 1 1 72 72 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 4946 1 428 . 1 1 73 73 GLY H H 1 9.12 0.01 . 1 . . . . . . . . 4946 1 429 . 1 1 73 73 GLY HA2 H 1 5.05 0.01 . 1 . . . . . . . . 4946 1 430 . 1 1 73 73 GLY HA3 H 1 3.36 0.01 . 1 . . . . . . . . 4946 1 431 . 1 1 74 74 SER H H 1 9.41 0.01 . 1 . . . . . . . . 4946 1 432 . 1 1 74 74 SER HA H 1 5.50 0.01 . 1 . . . . . . . . 4946 1 433 . 1 1 74 74 SER HB2 H 1 3.60 0.01 . 2 . . . . . . . . 4946 1 434 . 1 1 74 74 SER HB3 H 1 3.70 0.01 . 2 . . . . . . . . 4946 1 435 . 1 1 75 75 THR H H 1 9.51 0.01 . 1 . . . . . . . . 4946 1 436 . 1 1 75 75 THR HA H 1 5.54 0.01 . 1 . . . . . . . . 4946 1 437 . 1 1 75 75 THR HB H 1 4.95 0.01 . 1 . . . . . . . . 4946 1 438 . 1 1 75 75 THR HG21 H 1 1.39 0.01 . 1 . . . . . . . . 4946 1 439 . 1 1 75 75 THR HG22 H 1 1.39 0.01 . 1 . . . . . . . . 4946 1 440 . 1 1 75 75 THR HG23 H 1 1.39 0.01 . 1 . . . . . . . . 4946 1 441 . 1 1 76 76 PRO HA H 1 4.29 0.01 . 1 . . . . . . . . 4946 1 442 . 1 1 76 76 PRO HB2 H 1 1.82 0.01 . 2 . . . . . . . . 4946 1 443 . 1 1 76 76 PRO HB3 H 1 2.33 0.01 . 2 . . . . . . . . 4946 1 444 . 1 1 76 76 PRO HG2 H 1 2.05 0.01 . 2 . . . . . . . . 4946 1 445 . 1 1 76 76 PRO HG3 H 1 2.24 0.01 . 2 . . . . . . . . 4946 1 446 . 1 1 76 76 PRO HD2 H 1 4.00 0.01 . 2 . . . . . . . . 4946 1 447 . 1 1 76 76 PRO HD3 H 1 4.16 0.01 . 2 . . . . . . . . 4946 1 448 . 1 1 77 77 GLU H H 1 7.76 0.01 . 1 . . . . . . . . 4946 1 449 . 1 1 77 77 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4946 1 450 . 1 1 77 77 GLU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 4946 1 451 . 1 1 77 77 GLU HB3 H 1 2.16 0.01 . 2 . . . . . . . . 4946 1 452 . 1 1 77 77 GLU HG2 H 1 2.28 0.01 . 2 . . . . . . . . 4946 1 453 . 1 1 77 77 GLU HG3 H 1 2.44 0.01 . 2 . . . . . . . . 4946 1 454 . 1 1 78 78 GLY H H 1 8.40 0.01 . 1 . . . . . . . . 4946 1 455 . 1 1 78 78 GLY HA2 H 1 3.67 0.01 . 2 . . . . . . . . 4946 1 456 . 1 1 78 78 GLY HA3 H 1 4.37 0.01 . 2 . . . . . . . . 4946 1 457 . 1 1 79 79 THR H H 1 7.80 0.01 . 1 . . . . . . . . 4946 1 458 . 1 1 79 79 THR HA H 1 4.61 0.01 . 1 . . . . . . . . 4946 1 459 . 1 1 79 79 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 4946 1 460 . 1 1 79 79 THR HG21 H 1 1.29 0.01 . 1 . . . . . . . . 4946 1 461 . 1 1 79 79 THR HG22 H 1 1.29 0.01 . 1 . . . . . . . . 4946 1 462 . 1 1 79 79 THR HG23 H 1 1.29 0.01 . 1 . . . . . . . . 4946 1 463 . 1 1 80 80 PRO HA H 1 4.69 0.01 . 1 . . . . . . . . 4946 1 464 . 1 1 80 80 PRO HB2 H 1 2.36 0.01 . 1 . . . . . . . . 4946 1 465 . 1 1 80 80 PRO HB3 H 1 2.36 0.01 . 1 . . . . . . . . 4946 1 466 . 1 1 80 80 PRO HG2 H 1 2.03 0.01 . 2 . . . . . . . . 4946 1 467 . 1 1 80 80 PRO HG3 H 1 2.20 0.01 . 2 . . . . . . . . 4946 1 468 . 1 1 80 80 PRO HD2 H 1 3.81 0.01 . 2 . . . . . . . . 4946 1 469 . 1 1 80 80 PRO HD3 H 1 4.20 0.01 . 2 . . . . . . . . 4946 1 470 . 1 1 81 81 VAL H H 1 8.59 0.01 . 1 . . . . . . . . 4946 1 471 . 1 1 81 81 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 4946 1 472 . 1 1 81 81 VAL HB H 1 1.84 0.01 . 1 . . . . . . . . 4946 1 473 . 1 1 81 81 VAL HG11 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 474 . 1 1 81 81 VAL HG12 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 475 . 1 1 81 81 VAL HG13 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 476 . 1 1 81 81 VAL HG21 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 477 . 1 1 81 81 VAL HG22 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 478 . 1 1 81 81 VAL HG23 H 1 0.81 0.01 . 1 . . . . . . . . 4946 1 479 . 1 1 82 82 GLY H H 1 7.57 0.01 . 1 . . . . . . . . 4946 1 480 . 1 1 82 82 GLY HA2 H 1 3.91 0.01 . 1 . . . . . . . . 4946 1 481 . 1 1 82 82 GLY HA3 H 1 4.43 0.01 . 1 . . . . . . . . 4946 1 482 . 1 1 83 83 SER H H 1 8.54 0.01 . 1 . . . . . . . . 4946 1 483 . 1 1 83 83 SER HA H 1 4.40 0.01 . 1 . . . . . . . . 4946 1 484 . 1 1 83 83 SER HB2 H 1 3.71 0.01 . 1 . . . . . . . . 4946 1 485 . 1 1 83 83 SER HB3 H 1 3.71 0.01 . 1 . . . . . . . . 4946 1 486 . 1 1 84 84 VAL H H 1 8.71 0.01 . 1 . . . . . . . . 4946 1 487 . 1 1 84 84 VAL HA H 1 3.68 0.01 . 1 . . . . . . . . 4946 1 488 . 1 1 84 84 VAL HB H 1 0.41 0.01 . 1 . . . . . . . . 4946 1 489 . 1 1 84 84 VAL HG11 H 1 0.46 0.01 . 1 . . . . . . . . 4946 1 490 . 1 1 84 84 VAL HG12 H 1 0.46 0.01 . 1 . . . . . . . . 4946 1 491 . 1 1 84 84 VAL HG13 H 1 0.46 0.01 . 1 . . . . . . . . 4946 1 492 . 1 1 84 84 VAL HG21 H 1 0.53 0.01 . 1 . . . . . . . . 4946 1 493 . 1 1 84 84 VAL HG22 H 1 0.53 0.01 . 1 . . . . . . . . 4946 1 494 . 1 1 84 84 VAL HG23 H 1 0.53 0.01 . 1 . . . . . . . . 4946 1 495 . 1 1 85 85 ASP H H 1 8.25 0.01 . 1 . . . . . . . . 4946 1 496 . 1 1 85 85 ASP HA H 1 4.87 0.01 . 1 . . . . . . . . 4946 1 497 . 1 1 85 85 ASP HB2 H 1 2.40 0.01 . 2 . . . . . . . . 4946 1 498 . 1 1 85 85 ASP HB3 H 1 2.93 0.01 . 2 . . . . . . . . 4946 1 499 . 1 1 86 86 CYS H H 1 9.50 0.01 . 1 . . . . . . . . 4946 1 500 . 1 1 86 86 CYS HA H 1 4.87 0.01 . 1 . . . . . . . . 4946 1 501 . 1 1 86 86 CYS HB2 H 1 2.46 0.01 . 2 . . . . . . . . 4946 1 502 . 1 1 86 86 CYS HB3 H 1 3.84 0.01 . 2 . . . . . . . . 4946 1 503 . 1 1 87 87 ALA H H 1 8.98 0.01 . 1 . . . . . . . . 4946 1 504 . 1 1 87 87 ALA HA H 1 4.61 0.01 . 1 . . . . . . . . 4946 1 505 . 1 1 87 87 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 4946 1 506 . 1 1 87 87 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4946 1 507 . 1 1 87 87 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4946 1 508 . 1 1 88 88 THR H H 1 7.67 0.01 . 1 . . . . . . . . 4946 1 509 . 1 1 88 88 THR HA H 1 4.54 0.01 . 1 . . . . . . . . 4946 1 510 . 1 1 88 88 THR HB H 1 4.30 0.01 . 1 . . . . . . . . 4946 1 511 . 1 1 88 88 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 4946 1 512 . 1 1 88 88 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 4946 1 513 . 1 1 88 88 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 4946 1 514 . 1 1 89 89 ALA H H 1 8.51 0.01 . 1 . . . . . . . . 4946 1 515 . 1 1 89 89 ALA HA H 1 4.56 0.01 . 1 . . . . . . . . 4946 1 516 . 1 1 89 89 ALA HB1 H 1 1.25 0.01 . 1 . . . . . . . . 4946 1 517 . 1 1 89 89 ALA HB2 H 1 1.25 0.01 . 1 . . . . . . . . 4946 1 518 . 1 1 89 89 ALA HB3 H 1 1.25 0.01 . 1 . . . . . . . . 4946 1 519 . 1 1 90 90 ALA H H 1 8.63 0.01 . 1 . . . . . . . . 4946 1 520 . 1 1 90 90 ALA HA H 1 4.78 0.01 . 1 . . . . . . . . 4946 1 521 . 1 1 90 90 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4946 1 522 . 1 1 90 90 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4946 1 523 . 1 1 90 90 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4946 1 524 . 1 1 91 91 CYS H H 1 9.25 0.01 . 1 . . . . . . . . 4946 1 525 . 1 1 91 91 CYS HA H 1 5.23 0.01 . 1 . . . . . . . . 4946 1 526 . 1 1 91 91 CYS HB2 H 1 3.22 0.01 . 2 . . . . . . . . 4946 1 527 . 1 1 91 91 CYS HB3 H 1 4.02 0.01 . 2 . . . . . . . . 4946 1 528 . 1 1 92 92 ASN H H 1 9.91 0.01 . 1 . . . . . . . . 4946 1 529 . 1 1 92 92 ASN HA H 1 5.55 0.01 . 1 . . . . . . . . 4946 1 530 . 1 1 92 92 ASN HB2 H 1 2.41 0.01 . 2 . . . . . . . . 4946 1 531 . 1 1 92 92 ASN HB3 H 1 2.69 0.01 . 2 . . . . . . . . 4946 1 532 . 1 1 92 92 ASN HD21 H 1 7.65 0.01 . 1 . . . . . . . . 4946 1 533 . 1 1 92 92 ASN HD22 H 1 7.17 0.01 . 1 . . . . . . . . 4946 1 534 . 1 1 93 93 LEU H H 1 8.82 0.01 . 1 . . . . . . . . 4946 1 535 . 1 1 93 93 LEU HA H 1 5.07 0.01 . 1 . . . . . . . . 4946 1 536 . 1 1 93 93 LEU HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4946 1 537 . 1 1 93 93 LEU HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4946 1 538 . 1 1 93 93 LEU HG H 1 1.37 0.01 . 1 . . . . . . . . 4946 1 539 . 1 1 93 93 LEU HD11 H 1 0.23 0.01 . 1 . . . . . . . . 4946 1 540 . 1 1 93 93 LEU HD12 H 1 0.23 0.01 . 1 . . . . . . . . 4946 1 541 . 1 1 93 93 LEU HD13 H 1 0.23 0.01 . 1 . . . . . . . . 4946 1 542 . 1 1 93 93 LEU HD21 H 1 0.42 0.01 . 1 . . . . . . . . 4946 1 543 . 1 1 93 93 LEU HD22 H 1 0.42 0.01 . 1 . . . . . . . . 4946 1 544 . 1 1 93 93 LEU HD23 H 1 0.42 0.01 . 1 . . . . . . . . 4946 1 545 . 1 1 94 94 GLY H H 1 8.09 0.01 . 1 . . . . . . . . 4946 1 546 . 1 1 94 94 GLY HA2 H 1 5.00 0.01 . 1 . . . . . . . . 4946 1 547 . 1 1 94 94 GLY HA3 H 1 3.42 0.01 . 1 . . . . . . . . 4946 1 548 . 1 1 95 95 ALA H H 1 7.28 0.01 . 1 . . . . . . . . 4946 1 549 . 1 1 95 95 ALA HA H 1 5.90 0.01 . 1 . . . . . . . . 4946 1 550 . 1 1 95 95 ALA HB1 H 1 0.82 0.01 . 1 . . . . . . . . 4946 1 551 . 1 1 95 95 ALA HB2 H 1 0.82 0.01 . 1 . . . . . . . . 4946 1 552 . 1 1 95 95 ALA HB3 H 1 0.82 0.01 . 1 . . . . . . . . 4946 1 553 . 1 1 96 96 GLY H H 1 8.47 0.01 . 1 . . . . . . . . 4946 1 554 . 1 1 96 96 GLY HA2 H 1 4.95 0.01 . 1 . . . . . . . . 4946 1 555 . 1 1 96 96 GLY HA3 H 1 4.20 0.01 . 1 . . . . . . . . 4946 1 556 . 1 1 97 97 ASN H H 1 9.36 0.01 . 1 . . . . . . . . 4946 1 557 . 1 1 97 97 ASN HA H 1 5.02 0.01 . 1 . . . . . . . . 4946 1 558 . 1 1 97 97 ASN HB2 H 1 3.17 0.01 . 2 . . . . . . . . 4946 1 559 . 1 1 97 97 ASN HB3 H 1 3.54 0.01 . 2 . . . . . . . . 4946 1 560 . 1 1 97 97 ASN HD21 H 1 6.75 0.01 . 1 . . . . . . . . 4946 1 561 . 1 1 97 97 ASN HD22 H 1 6.27 0.01 . 1 . . . . . . . . 4946 1 562 . 1 1 98 98 SER H H 1 8.57 0.01 . 1 . . . . . . . . 4946 1 563 . 1 1 98 98 SER HA H 1 4.14 0.01 . 1 . . . . . . . . 4946 1 564 . 1 1 98 98 SER HB2 H 1 3.92 0.01 . 1 . . . . . . . . 4946 1 565 . 1 1 98 98 SER HB3 H 1 3.92 0.01 . 1 . . . . . . . . 4946 1 566 . 1 1 99 99 GLY H H 1 8.03 0.01 . 1 . . . . . . . . 4946 1 567 . 1 1 99 99 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 4946 1 568 . 1 1 99 99 GLY HA3 H 1 4.30 0.01 . 2 . . . . . . . . 4946 1 569 . 1 1 100 100 LEU H H 1 7.73 0.01 . 1 . . . . . . . . 4946 1 570 . 1 1 100 100 LEU HA H 1 4.52 0.01 . 1 . . . . . . . . 4946 1 571 . 1 1 100 100 LEU HB2 H 1 1.69 0.01 . 2 . . . . . . . . 4946 1 572 . 1 1 100 100 LEU HB3 H 1 1.84 0.01 . 2 . . . . . . . . 4946 1 573 . 1 1 100 100 LEU HG H 1 1.38 0.01 . 1 . . . . . . . . 4946 1 574 . 1 1 100 100 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4946 1 575 . 1 1 100 100 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4946 1 576 . 1 1 100 100 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4946 1 577 . 1 1 100 100 LEU HD21 H 1 1.01 0.01 . 1 . . . . . . . . 4946 1 578 . 1 1 100 100 LEU HD22 H 1 1.01 0.01 . 1 . . . . . . . . 4946 1 579 . 1 1 100 100 LEU HD23 H 1 1.01 0.01 . 1 . . . . . . . . 4946 1 580 . 1 1 101 101 ASP H H 1 8.64 0.01 . 1 . . . . . . . . 4946 1 581 . 1 1 101 101 ASP HA H 1 4.99 0.01 . 1 . . . . . . . . 4946 1 582 . 1 1 101 101 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 4946 1 583 . 1 1 101 101 ASP HB3 H 1 2.86 0.01 . 2 . . . . . . . . 4946 1 584 . 1 1 102 102 LEU H H 1 8.59 0.01 . 1 . . . . . . . . 4946 1 585 . 1 1 102 102 LEU HA H 1 4.10 0.01 . 1 . . . . . . . . 4946 1 586 . 1 1 102 102 LEU HB2 H 1 1.08 0.01 . 2 . . . . . . . . 4946 1 587 . 1 1 102 102 LEU HB3 H 1 1.28 0.01 . 2 . . . . . . . . 4946 1 588 . 1 1 102 102 LEU HG H 1 1.21 0.01 . 1 . . . . . . . . 4946 1 589 . 1 1 102 102 LEU HD11 H 1 0.15 0.01 . 1 . . . . . . . . 4946 1 590 . 1 1 102 102 LEU HD12 H 1 0.15 0.01 . 1 . . . . . . . . 4946 1 591 . 1 1 102 102 LEU HD13 H 1 0.15 0.01 . 1 . . . . . . . . 4946 1 592 . 1 1 102 102 LEU HD21 H 1 0.52 0.01 . 1 . . . . . . . . 4946 1 593 . 1 1 102 102 LEU HD22 H 1 0.52 0.01 . 1 . . . . . . . . 4946 1 594 . 1 1 102 102 LEU HD23 H 1 0.52 0.01 . 1 . . . . . . . . 4946 1 595 . 1 1 103 103 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 4946 1 596 . 1 1 103 103 GLY HA2 H 1 3.76 0.01 . 1 . . . . . . . . 4946 1 597 . 1 1 103 103 GLY HA3 H 1 4.46 0.01 . 1 . . . . . . . . 4946 1 598 . 1 1 104 104 HIS H H 1 8.16 0.01 . 1 . . . . . . . . 4946 1 599 . 1 1 104 104 HIS HA H 1 5.55 0.01 . 1 . . . . . . . . 4946 1 600 . 1 1 104 104 HIS HB2 H 1 2.87 0.01 . 2 . . . . . . . . 4946 1 601 . 1 1 104 104 HIS HB3 H 1 2.93 0.01 . 2 . . . . . . . . 4946 1 602 . 1 1 104 104 HIS HD2 H 1 7.24 0.01 . 1 . . . . . . . . 4946 1 603 . 1 1 104 104 HIS HE1 H 1 8.66 0.01 . 1 . . . . . . . . 4946 1 604 . 1 1 105 105 VAL H H 1 9.31 0.01 . 1 . . . . . . . . 4946 1 605 . 1 1 105 105 VAL HA H 1 4.28 0.01 . 1 . . . . . . . . 4946 1 606 . 1 1 105 105 VAL HB H 1 1.73 0.01 . 1 . . . . . . . . 4946 1 607 . 1 1 105 105 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 4946 1 608 . 1 1 105 105 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 4946 1 609 . 1 1 105 105 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 4946 1 610 . 1 1 105 105 VAL HG21 H 1 0.68 0.01 . 1 . . . . . . . . 4946 1 611 . 1 1 105 105 VAL HG22 H 1 0.68 0.01 . 1 . . . . . . . . 4946 1 612 . 1 1 105 105 VAL HG23 H 1 0.68 0.01 . 1 . . . . . . . . 4946 1 613 . 1 1 106 106 ALA H H 1 8.53 0.01 . 1 . . . . . . . . 4946 1 614 . 1 1 106 106 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 4946 1 615 . 1 1 106 106 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4946 1 616 . 1 1 106 106 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4946 1 617 . 1 1 106 106 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4946 1 618 . 1 1 107 107 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 4946 1 619 . 1 1 107 107 LEU HA H 1 5.21 0.01 . 1 . . . . . . . . 4946 1 620 . 1 1 107 107 LEU HB2 H 1 1.09 0.01 . 2 . . . . . . . . 4946 1 621 . 1 1 107 107 LEU HB3 H 1 1.64 0.01 . 2 . . . . . . . . 4946 1 622 . 1 1 107 107 LEU HG H 1 1.83 0.01 . 1 . . . . . . . . 4946 1 623 . 1 1 107 107 LEU HD11 H 1 0.85 0.01 . 1 . . . . . . . . 4946 1 624 . 1 1 107 107 LEU HD12 H 1 0.85 0.01 . 1 . . . . . . . . 4946 1 625 . 1 1 107 107 LEU HD13 H 1 0.85 0.01 . 1 . . . . . . . . 4946 1 626 . 1 1 107 107 LEU HD21 H 1 0.75 0.01 . 1 . . . . . . . . 4946 1 627 . 1 1 107 107 LEU HD22 H 1 0.75 0.01 . 1 . . . . . . . . 4946 1 628 . 1 1 107 107 LEU HD23 H 1 0.75 0.01 . 1 . . . . . . . . 4946 1 629 . 1 1 108 108 THR H H 1 8.22 0.01 . 1 . . . . . . . . 4946 1 630 . 1 1 108 108 THR HA H 1 4.96 0.01 . 1 . . . . . . . . 4946 1 631 . 1 1 108 108 THR HB H 1 4.13 0.01 . 1 . . . . . . . . 4946 1 632 . 1 1 108 108 THR HG21 H 1 1.34 0.01 . 1 . . . . . . . . 4946 1 633 . 1 1 108 108 THR HG22 H 1 1.34 0.01 . 1 . . . . . . . . 4946 1 634 . 1 1 108 108 THR HG23 H 1 1.34 0.01 . 1 . . . . . . . . 4946 1 635 . 1 1 109 109 PHE H H 1 9.21 0.01 . 1 . . . . . . . . 4946 1 636 . 1 1 109 109 PHE HA H 1 4.55 0.01 . 1 . . . . . . . . 4946 1 637 . 1 1 109 109 PHE HB2 H 1 2.71 0.01 . 2 . . . . . . . . 4946 1 638 . 1 1 109 109 PHE HB3 H 1 3.11 0.01 . 2 . . . . . . . . 4946 1 639 . 1 1 109 109 PHE HD1 H 1 7.01 0.01 . 1 . . . . . . . . 4946 1 640 . 1 1 109 109 PHE HD2 H 1 7.01 0.01 . 1 . . . . . . . . 4946 1 641 . 1 1 109 109 PHE HE1 H 1 6.94 0.01 . 1 . . . . . . . . 4946 1 642 . 1 1 109 109 PHE HE2 H 1 6.94 0.01 . 1 . . . . . . . . 4946 1 643 . 1 1 109 109 PHE HZ H 1 6.85 0.01 . 1 . . . . . . . . 4946 1 644 . 1 1 110 110 GLY H H 1 8.70 0.01 . 1 . . . . . . . . 4946 1 645 . 1 1 110 110 GLY HA2 H 1 3.91 0.01 . 1 . . . . . . . . 4946 1 646 . 1 1 110 110 GLY HA3 H 1 3.91 0.01 . 1 . . . . . . . . 4946 1 stop_ save_