data_5475 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5475 _Entry.Title ; Homology predicted structure and comparison with the secondary structure from NMR data for plastocyanin from the cyanobacterium synechocystis sp. PCC 6803 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-07-24 _Entry.Accession_date 2002-07-25 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Daniel Monleon . . . 5475 2 Bernardo Celda . . . 5475 3 Antonio Donaire . . . 5475 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5475 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 556 5475 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 . . 2002-08-22 2002-07-24 original author . 5475 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5475 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Homology predicted structure and comparison with the secondary structure from NMR data for plastocyanin from the cyanobacterium synechocystis sp. PCC 6803 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Inorg. Chim. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 275-276 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 73 _Citation.Page_last 89 _Citation.Year 1998 _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 Antonio Donaire . . . 5475 1 2 Daniel Monleon . . . 5475 1 3 Bernardo Celda . . . 5475 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_plastocyanin_synechocystis _Assembly.Sf_category assembly _Assembly.Sf_framecode system_plastocyanin_synechocystis _Assembly.Entry_ID 5475 _Assembly.ID 1 _Assembly.Name 'plastocyanin synechocistys PCC 6803' _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 free' _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 5475 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 'plastocyanin synechocystis' 1 $plasto . . . native . . . . . 5475 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1M9W . . . . . . 5475 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'plastocyanin synechocistys PCC 6803' system 5475 1 'plastocyanin synechocystis' abbreviation 5475 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_plasto _Entity.Sf_category entity _Entity.Sf_framecode plasto _Entity.Entry_ID 5475 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'plastocyanin synechocystis' _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 ; ANATVKMGSDSGALVFEPST VTIKAGEEVKWVNNKLSPHN IVFAADGVDADTAAKLSHKG LAFAAGESFTSTFTEPGTYT YYCEPHRGAGMVGKVVVE ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 5584 . pcn . . . . . 100.00 98 98.98 100.00 2.29e-63 . . . . 5475 1 2 no PDB 1J5C . "Solution Structure Of Oxidized Paramagnetic Cu(Ii) Plastocyanin From Synechocystis Pcc6803" . . . . . 98.98 98 98.97 100.00 8.20e-63 . . . . 5475 1 3 no PDB 1J5D . "Solution Structure Of Oxidized Paramagnetic Cu(Ii) Plastocyanin From Synechocystis Pcc6803-Minimized Average Structure" . . . . . 100.00 98 98.98 100.00 2.29e-63 . . . . 5475 1 4 no PDB 1JXD . "Solution Structure Of Reduced Cu(i) Plastocyanin From Synechocystis Pcc6803" . . . . . 100.00 98 98.98 100.00 2.29e-63 . . . . 5475 1 5 no PDB 1JXF . "Solution Structure Of Reduced Cu(I) Plastocyanin From Synechocystis Pcc6803" . . . . . 98.98 98 98.97 100.00 8.20e-63 . . . . 5475 1 6 no PDB 1M9W . "Study Of Electrostatic Potential Surface Distribution Using High Resolution Side-Chain Conformation Determined By Nmr" . . . . . 100.00 98 100.00 100.00 6.97e-64 . . . . 5475 1 7 no PDB 1PCS . "The 2.15 A Crystal Structure Of A Triple Mutant Plastocyanin From The Cyanobacterium Synechocystis Sp. Pcc 6803" . . . . . 100.00 98 96.94 96.94 6.86e-61 . . . . 5475 1 8 no DBJ BAA10227 . "plastocyanin [Synechocystis sp. PCC 6803]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 9 no DBJ BAK51011 . "plastocyanin [Synechocystis sp. PCC 6803]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 10 no DBJ BAL30009 . "plastocyanin [Synechocystis sp. PCC 6803 substr. GT-I]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 11 no DBJ BAL33178 . "plastocyanin [Synechocystis sp. PCC 6803 substr. PCC-N]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 12 no DBJ BAL36347 . "plastocyanin [Synechocystis sp. PCC 6803 substr. PCC-P]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 13 no EMBL CAA38038 . "plastocyanin [Synechocystis sp. PCC 6803]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 14 no GB AGF52520 . "plastocyanin [Synechocystis sp. PCC 6803]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 15 no REF NP_442157 . "plastocyanin [Synechocystis sp. PCC 6803]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 16 no REF WP_010873453 . "plasmid stabilization protein [Synechocystis sp. PCC 6803]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 17 no REF YP_005384024 . "plastocyanin [Synechocystis sp. PCC 6803 substr. GT-I]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 18 no REF YP_005387193 . "plastocyanin [Synechocystis sp. PCC 6803 substr. PCC-P]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 19 no REF YP_005409900 . "plastocyanin [Synechocystis sp. PCC 6803 substr. PCC-N]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 20 no SP P21697 . "RecName: Full=Plastocyanin; Flags: Precursor [Synechocystis sp. PCC 6803 substr. Kazusa]" . . . . . 100.00 126 100.00 100.00 2.23e-64 . . . . 5475 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID plasto abbreviation 5475 1 'plastocyanin synechocystis' common 5475 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 . 5475 1 2 . ASN . 5475 1 3 . ALA . 5475 1 4 . THR . 5475 1 5 . VAL . 5475 1 6 . LYS . 5475 1 7 . MET . 5475 1 8 . GLY . 5475 1 9 . SER . 5475 1 10 . ASP . 5475 1 11 . SER . 5475 1 12 . GLY . 5475 1 13 . ALA . 5475 1 14 . LEU . 5475 1 15 . VAL . 5475 1 16 . PHE . 5475 1 17 . GLU . 5475 1 18 . PRO . 5475 1 19 . SER . 5475 1 20 . THR . 5475 1 21 . VAL . 5475 1 22 . THR . 5475 1 23 . ILE . 5475 1 24 . LYS . 5475 1 25 . ALA . 5475 1 26 . GLY . 5475 1 27 . GLU . 5475 1 28 . GLU . 5475 1 29 . VAL . 5475 1 30 . LYS . 5475 1 31 . TRP . 5475 1 32 . VAL . 5475 1 33 . ASN . 5475 1 34 . ASN . 5475 1 35 . LYS . 5475 1 36 . LEU . 5475 1 37 . SER . 5475 1 38 . PRO . 5475 1 39 . HIS . 5475 1 40 . ASN . 5475 1 41 . ILE . 5475 1 42 . VAL . 5475 1 43 . PHE . 5475 1 44 . ALA . 5475 1 45 . ALA . 5475 1 46 . ASP . 5475 1 47 . GLY . 5475 1 48 . VAL . 5475 1 49 . ASP . 5475 1 50 . ALA . 5475 1 51 . ASP . 5475 1 52 . THR . 5475 1 53 . ALA . 5475 1 54 . ALA . 5475 1 55 . LYS . 5475 1 56 . LEU . 5475 1 57 . SER . 5475 1 58 . HIS . 5475 1 59 . LYS . 5475 1 60 . GLY . 5475 1 61 . LEU . 5475 1 62 . ALA . 5475 1 63 . PHE . 5475 1 64 . ALA . 5475 1 65 . ALA . 5475 1 66 . GLY . 5475 1 67 . GLU . 5475 1 68 . SER . 5475 1 69 . PHE . 5475 1 70 . THR . 5475 1 71 . SER . 5475 1 72 . THR . 5475 1 73 . PHE . 5475 1 74 . THR . 5475 1 75 . GLU . 5475 1 76 . PRO . 5475 1 77 . GLY . 5475 1 78 . THR . 5475 1 79 . TYR . 5475 1 80 . THR . 5475 1 81 . TYR . 5475 1 82 . TYR . 5475 1 83 . CYS . 5475 1 84 . GLU . 5475 1 85 . PRO . 5475 1 86 . HIS . 5475 1 87 . ARG . 5475 1 88 . GLY . 5475 1 89 . ALA . 5475 1 90 . GLY . 5475 1 91 . MET . 5475 1 92 . VAL . 5475 1 93 . GLY . 5475 1 94 . LYS . 5475 1 95 . VAL . 5475 1 96 . VAL . 5475 1 97 . VAL . 5475 1 98 . GLU . 5475 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 5475 1 . ASN 2 2 5475 1 . ALA 3 3 5475 1 . THR 4 4 5475 1 . VAL 5 5 5475 1 . LYS 6 6 5475 1 . MET 7 7 5475 1 . GLY 8 8 5475 1 . SER 9 9 5475 1 . ASP 10 10 5475 1 . SER 11 11 5475 1 . GLY 12 12 5475 1 . ALA 13 13 5475 1 . LEU 14 14 5475 1 . VAL 15 15 5475 1 . PHE 16 16 5475 1 . GLU 17 17 5475 1 . PRO 18 18 5475 1 . SER 19 19 5475 1 . THR 20 20 5475 1 . VAL 21 21 5475 1 . THR 22 22 5475 1 . ILE 23 23 5475 1 . LYS 24 24 5475 1 . ALA 25 25 5475 1 . GLY 26 26 5475 1 . GLU 27 27 5475 1 . GLU 28 28 5475 1 . VAL 29 29 5475 1 . LYS 30 30 5475 1 . TRP 31 31 5475 1 . VAL 32 32 5475 1 . ASN 33 33 5475 1 . ASN 34 34 5475 1 . LYS 35 35 5475 1 . LEU 36 36 5475 1 . SER 37 37 5475 1 . PRO 38 38 5475 1 . HIS 39 39 5475 1 . ASN 40 40 5475 1 . ILE 41 41 5475 1 . VAL 42 42 5475 1 . PHE 43 43 5475 1 . ALA 44 44 5475 1 . ALA 45 45 5475 1 . ASP 46 46 5475 1 . GLY 47 47 5475 1 . VAL 48 48 5475 1 . ASP 49 49 5475 1 . ALA 50 50 5475 1 . ASP 51 51 5475 1 . THR 52 52 5475 1 . ALA 53 53 5475 1 . ALA 54 54 5475 1 . LYS 55 55 5475 1 . LEU 56 56 5475 1 . SER 57 57 5475 1 . HIS 58 58 5475 1 . LYS 59 59 5475 1 . GLY 60 60 5475 1 . LEU 61 61 5475 1 . ALA 62 62 5475 1 . PHE 63 63 5475 1 . ALA 64 64 5475 1 . ALA 65 65 5475 1 . GLY 66 66 5475 1 . GLU 67 67 5475 1 . SER 68 68 5475 1 . PHE 69 69 5475 1 . THR 70 70 5475 1 . SER 71 71 5475 1 . THR 72 72 5475 1 . PHE 73 73 5475 1 . THR 74 74 5475 1 . GLU 75 75 5475 1 . PRO 76 76 5475 1 . GLY 77 77 5475 1 . THR 78 78 5475 1 . TYR 79 79 5475 1 . THR 80 80 5475 1 . TYR 81 81 5475 1 . TYR 82 82 5475 1 . CYS 83 83 5475 1 . GLU 84 84 5475 1 . PRO 85 85 5475 1 . HIS 86 86 5475 1 . ARG 87 87 5475 1 . GLY 88 88 5475 1 . ALA 89 89 5475 1 . GLY 90 90 5475 1 . MET 91 91 5475 1 . VAL 92 92 5475 1 . GLY 93 93 5475 1 . LYS 94 94 5475 1 . VAL 95 95 5475 1 . VAL 96 96 5475 1 . VAL 97 97 5475 1 . GLU 98 98 5475 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 5475 _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 $plasto . 1143 . . 'Cyanobacterium synechocystis' 'Synechocystis sp.' . . Archaea . Cyanobacterium synechocystis . . . . . . . . . . . . . . . . . . . . . 5475 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 5475 _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 $plasto . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5475 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5475 _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 'plastocyanin synechocystis' . . . 1 $plasto . . 4.0 . . mM . . . . 5475 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5475 _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 5.4 0.2 na 5475 1 temperature 303 1 K 5475 1 stop_ save_ ############################ # Computer software used # ############################ save_gifa _Software.Sf_category software _Software.Sf_framecode gifa _Software.Entry_ID 5475 _Software.ID 1 _Software.Name GIFA _Software.Version 4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 5475 1 processing 5475 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5475 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5475 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 5475 _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_1 Varian Unity . 400 . . . 5475 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5475 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 5475 _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 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5475 1 2 H,H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5475 1 3 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5475 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 5475 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name DQF-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 5475 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name H,H-TOCSY _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 5475 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 2D-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 5475 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5475 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5475 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 DQF-COSY 1 $sample_1 . 5475 1 2 H,H-TOCSY 1 $sample_1 . 5475 1 3 2D-NOESY 1 $sample_1 . 5475 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 4.02 0.01 . 1 . . . . . . . . 5475 1 2 . 1 1 1 1 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 5475 1 3 . 1 1 1 1 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 5475 1 4 . 1 1 1 1 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 5475 1 5 . 1 1 2 2 ASN H H 1 8.44 0.01 . 1 . . . . . . . . 5475 1 6 . 1 1 2 2 ASN HA H 1 4.82 0.01 . 1 . . . . . . . . 5475 1 7 . 1 1 2 2 ASN HB2 H 1 1.20 0.01 . 1 . . . . . . . . 5475 1 8 . 1 1 2 2 ASN HD21 H 1 7.52 0.01 . 2 . . . . . . . . 5475 1 9 . 1 1 2 2 ASN HD22 H 1 6.82 0.01 . 2 . . . . . . . . 5475 1 10 . 1 1 3 3 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 5475 1 11 . 1 1 3 3 ALA HA H 1 4.11 0.01 . 1 . . . . . . . . 5475 1 12 . 1 1 3 3 ALA HB1 H 1 1.20 0.01 . 1 . . . . . . . . 5475 1 13 . 1 1 3 3 ALA HB2 H 1 1.20 0.01 . 1 . . . . . . . . 5475 1 14 . 1 1 3 3 ALA HB3 H 1 1.20 0.01 . 1 . . . . . . . . 5475 1 15 . 1 1 4 4 THR H H 1 8.15 0.01 . 1 . . . . . . . . 5475 1 16 . 1 1 4 4 THR HA H 1 5.21 0.01 . 1 . . . . . . . . 5475 1 17 . 1 1 4 4 THR HB H 1 3.76 0.01 . 1 . . . . . . . . 5475 1 18 . 1 1 4 4 THR HG21 H 1 0.97 0.01 . 1 . . . . . . . . 5475 1 19 . 1 1 4 4 THR HG22 H 1 0.97 0.01 . 1 . . . . . . . . 5475 1 20 . 1 1 4 4 THR HG23 H 1 0.97 0.01 . 1 . . . . . . . . 5475 1 21 . 1 1 5 5 VAL H H 1 9.34 0.01 . 1 . . . . . . . . 5475 1 22 . 1 1 5 5 VAL HA H 1 4.45 0.01 . 1 . . . . . . . . 5475 1 23 . 1 1 5 5 VAL HB H 1 1.42 0.01 . 1 . . . . . . . . 5475 1 24 . 1 1 5 5 VAL HG11 H 1 1.10 0.01 . 2 . . . . . . . . 5475 1 25 . 1 1 5 5 VAL HG12 H 1 1.10 0.01 . 2 . . . . . . . . 5475 1 26 . 1 1 5 5 VAL HG13 H 1 1.10 0.01 . 2 . . . . . . . . 5475 1 27 . 1 1 5 5 VAL HG21 H 1 0.45 0.01 . 2 . . . . . . . . 5475 1 28 . 1 1 5 5 VAL HG22 H 1 0.45 0.01 . 2 . . . . . . . . 5475 1 29 . 1 1 5 5 VAL HG23 H 1 0.45 0.01 . 2 . . . . . . . . 5475 1 30 . 1 1 6 6 LYS H H 1 9.07 0.01 . 1 . . . . . . . . 5475 1 31 . 1 1 6 6 LYS HA H 1 4.75 0.01 . 1 . . . . . . . . 5475 1 32 . 1 1 6 6 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 5475 1 33 . 1 1 6 6 LYS HG2 H 1 1.62 0.01 . 1 . . . . . . . . 5475 1 34 . 1 1 6 6 LYS HD2 H 1 1.82 0.01 . 1 . . . . . . . . 5475 1 35 . 1 1 6 6 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 5475 1 36 . 1 1 7 7 MET H H 1 8.71 0.01 . 1 . . . . . . . . 5475 1 37 . 1 1 7 7 MET HA H 1 4.16 0.01 . 1 . . . . . . . . 5475 1 38 . 1 1 7 7 MET HB2 H 1 1.78 0.01 . 1 . . . . . . . . 5475 1 39 . 1 1 7 7 MET HG2 H 1 2.58 0.01 . 1 . . . . . . . . 5475 1 40 . 1 1 8 8 GLY H H 1 7.63 0.01 . 1 . . . . . . . . 5475 1 41 . 1 1 8 8 GLY HA2 H 1 4.80 0.01 . 1 . . . . . . . . 5475 1 42 . 1 1 8 8 GLY HA3 H 1 3.81 0.01 . 1 . . . . . . . . 5475 1 43 . 1 1 9 9 SER H H 1 8.49 0.01 . 1 . . . . . . . . 5475 1 44 . 1 1 9 9 SER HA H 1 4.48 0.01 . 1 . . . . . . . . 5475 1 45 . 1 1 9 9 SER HB2 H 1 4.30 0.01 . 2 . . . . . . . . 5475 1 46 . 1 1 9 9 SER HB3 H 1 3.65 0.01 . 2 . . . . . . . . 5475 1 47 . 1 1 10 10 ASP H H 1 9.37 0.01 . 1 . . . . . . . . 5475 1 48 . 1 1 10 10 ASP HA H 1 4.23 0.01 . 1 . . . . . . . . 5475 1 49 . 1 1 10 10 ASP HB2 H 1 2.66 0.01 . 2 . . . . . . . . 5475 1 50 . 1 1 10 10 ASP HB3 H 1 2.72 0.01 . 2 . . . . . . . . 5475 1 51 . 1 1 11 11 SER H H 1 8.03 0.01 . 1 . . . . . . . . 5475 1 52 . 1 1 11 11 SER HA H 1 4.35 0.01 . 1 . . . . . . . . 5475 1 53 . 1 1 11 11 SER HB2 H 1 4.01 0.01 . 2 . . . . . . . . 5475 1 54 . 1 1 11 11 SER HB3 H 1 3.82 0.01 . 2 . . . . . . . . 5475 1 55 . 1 1 12 12 GLY H H 1 8.04 0.01 . 1 . . . . . . . . 5475 1 56 . 1 1 12 12 GLY HA2 H 1 4.15 0.01 . 1 . . . . . . . . 5475 1 57 . 1 1 12 12 GLY HA3 H 1 3.30 0.01 . 1 . . . . . . . . 5475 1 58 . 1 1 13 13 ALA H H 1 7.68 0.01 . 1 . . . . . . . . 5475 1 59 . 1 1 13 13 ALA HA H 1 4.48 0.01 . 1 . . . . . . . . 5475 1 60 . 1 1 13 13 ALA HB1 H 1 1.25 0.01 . 1 . . . . . . . . 5475 1 61 . 1 1 13 13 ALA HB2 H 1 1.25 0.01 . 1 . . . . . . . . 5475 1 62 . 1 1 13 13 ALA HB3 H 1 1.25 0.01 . 1 . . . . . . . . 5475 1 63 . 1 1 14 14 LEU H H 1 8.46 0.01 . 1 . . . . . . . . 5475 1 64 . 1 1 14 14 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5475 1 65 . 1 1 14 14 LEU HB2 H 1 1.48 0.01 . 2 . . . . . . . . 5475 1 66 . 1 1 14 14 LEU HB3 H 1 1.60 0.01 . 2 . . . . . . . . 5475 1 67 . 1 1 14 14 LEU HG H 1 1.08 0.01 . 1 . . . . . . . . 5475 1 68 . 1 1 14 14 LEU HD11 H 1 0.14 0.01 . 2 . . . . . . . . 5475 1 69 . 1 1 14 14 LEU HD12 H 1 0.14 0.01 . 2 . . . . . . . . 5475 1 70 . 1 1 14 14 LEU HD13 H 1 0.14 0.01 . 2 . . . . . . . . 5475 1 71 . 1 1 14 14 LEU HD21 H 1 0.67 0.01 . 2 . . . . . . . . 5475 1 72 . 1 1 14 14 LEU HD22 H 1 0.67 0.01 . 2 . . . . . . . . 5475 1 73 . 1 1 14 14 LEU HD23 H 1 0.67 0.01 . 2 . . . . . . . . 5475 1 74 . 1 1 15 15 VAL H H 1 7.36 0.01 . 1 . . . . . . . . 5475 1 75 . 1 1 15 15 VAL HA H 1 4.78 0.01 . 1 . . . . . . . . 5475 1 76 . 1 1 15 15 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 5475 1 77 . 1 1 15 15 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 5475 1 78 . 1 1 15 15 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 5475 1 79 . 1 1 15 15 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 5475 1 80 . 1 1 15 15 VAL HG21 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 81 . 1 1 15 15 VAL HG22 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 82 . 1 1 15 15 VAL HG23 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 83 . 1 1 16 16 PHE H H 1 8.87 0.01 . 1 . . . . . . . . 5475 1 84 . 1 1 16 16 PHE HA H 1 5.08 0.01 . 1 . . . . . . . . 5475 1 85 . 1 1 16 16 PHE HB2 H 1 2.42 0.01 . 1 . . . . . . . . 5475 1 86 . 1 1 16 16 PHE HB3 H 1 3.04 0.01 . 1 . . . . . . . . 5475 1 87 . 1 1 16 16 PHE HD1 H 1 6.90 0.01 . 1 . . . . . . . . 5475 1 88 . 1 1 16 16 PHE HE1 H 1 6.97 0.01 . 1 . . . . . . . . 5475 1 89 . 1 1 16 16 PHE HZ H 1 7.52 0.01 . 1 . . . . . . . . 5475 1 90 . 1 1 17 17 GLU H H 1 8.86 0.01 . 1 . . . . . . . . 5475 1 91 . 1 1 17 17 GLU HA H 1 4.97 0.01 . 1 . . . . . . . . 5475 1 92 . 1 1 17 17 GLU HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5475 1 93 . 1 1 17 17 GLU HB3 H 1 2.02 0.01 . 1 . . . . . . . . 5475 1 94 . 1 1 17 17 GLU HG2 H 1 2.12 0.01 . 1 . . . . . . . . 5475 1 95 . 1 1 18 18 PRO HA H 1 5.02 0.01 . 1 . . . . . . . . 5475 1 96 . 1 1 18 18 PRO HB2 H 1 2.24 0.01 . 1 . . . . . . . . 5475 1 97 . 1 1 18 18 PRO HB3 H 1 2.58 0.01 . 1 . . . . . . . . 5475 1 98 . 1 1 18 18 PRO HG2 H 1 2.02 0.01 . 2 . . . . . . . . 5475 1 99 . 1 1 18 18 PRO HG3 H 1 1.62 0.01 . 2 . . . . . . . . 5475 1 100 . 1 1 18 18 PRO HD2 H 1 3.74 0.01 . 2 . . . . . . . . 5475 1 101 . 1 1 18 18 PRO HD3 H 1 3.94 0.01 . 2 . . . . . . . . 5475 1 102 . 1 1 19 19 SER H H 1 8.63 0.01 . 1 . . . . . . . . 5475 1 103 . 1 1 19 19 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 5475 1 104 . 1 1 19 19 SER HB2 H 1 4.33 0.01 . 1 . . . . . . . . 5475 1 105 . 1 1 20 20 THR H H 1 7.66 0.01 . 1 . . . . . . . . 5475 1 106 . 1 1 20 20 THR HA H 1 5.24 0.01 . 1 . . . . . . . . 5475 1 107 . 1 1 20 20 THR HB H 1 3.87 0.01 . 1 . . . . . . . . 5475 1 108 . 1 1 20 20 THR HG21 H 1 1.03 0.01 . 1 . . . . . . . . 5475 1 109 . 1 1 20 20 THR HG22 H 1 1.03 0.01 . 1 . . . . . . . . 5475 1 110 . 1 1 20 20 THR HG23 H 1 1.03 0.01 . 1 . . . . . . . . 5475 1 111 . 1 1 21 21 VAL H H 1 7.80 0.01 . 1 . . . . . . . . 5475 1 112 . 1 1 21 21 VAL HA H 1 4.58 0.01 . 1 . . . . . . . . 5475 1 113 . 1 1 21 21 VAL HB H 1 1.85 0.01 . 1 . . . . . . . . 5475 1 114 . 1 1 21 21 VAL HG11 H 1 0.76 0.01 . 2 . . . . . . . . 5475 1 115 . 1 1 21 21 VAL HG12 H 1 0.76 0.01 . 2 . . . . . . . . 5475 1 116 . 1 1 21 21 VAL HG13 H 1 0.76 0.01 . 2 . . . . . . . . 5475 1 117 . 1 1 21 21 VAL HG21 H 1 0.70 0.01 . 2 . . . . . . . . 5475 1 118 . 1 1 21 21 VAL HG22 H 1 0.70 0.01 . 2 . . . . . . . . 5475 1 119 . 1 1 21 21 VAL HG23 H 1 0.70 0.01 . 2 . . . . . . . . 5475 1 120 . 1 1 22 22 THR H H 1 8.27 0.01 . 1 . . . . . . . . 5475 1 121 . 1 1 22 22 THR HA H 1 5.55 0.01 . 1 . . . . . . . . 5475 1 122 . 1 1 22 22 THR HB H 1 3.82 0.01 . 1 . . . . . . . . 5475 1 123 . 1 1 22 22 THR HG21 H 1 1.00 0.01 . 1 . . . . . . . . 5475 1 124 . 1 1 22 22 THR HG22 H 1 1.00 0.01 . 1 . . . . . . . . 5475 1 125 . 1 1 22 22 THR HG23 H 1 1.00 0.01 . 1 . . . . . . . . 5475 1 126 . 1 1 23 23 ILE H H 1 9.07 0.01 . 1 . . . . . . . . 5475 1 127 . 1 1 23 23 ILE HA H 1 4.70 0.01 . 1 . . . . . . . . 5475 1 128 . 1 1 23 23 ILE HB H 1 2.22 0.01 . 1 . . . . . . . . 5475 1 129 . 1 1 23 23 ILE HG12 H 1 1.02 0.01 . 1 . . . . . . . . 5475 1 130 . 1 1 23 23 ILE HG21 H 1 0.40 0.01 . 1 . . . . . . . . 5475 1 131 . 1 1 23 23 ILE HG22 H 1 0.40 0.01 . 1 . . . . . . . . 5475 1 132 . 1 1 23 23 ILE HG23 H 1 0.40 0.01 . 1 . . . . . . . . 5475 1 133 . 1 1 23 23 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 5475 1 134 . 1 1 23 23 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 5475 1 135 . 1 1 23 23 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 5475 1 136 . 1 1 24 24 LYS H H 1 8.48 0.01 . 1 . . . . . . . . 5475 1 137 . 1 1 24 24 LYS HA H 1 4.86 0.01 . 1 . . . . . . . . 5475 1 138 . 1 1 24 24 LYS HB2 H 1 1.40 0.01 . 1 . . . . . . . . 5475 1 139 . 1 1 24 24 LYS HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5475 1 140 . 1 1 24 24 LYS HG2 H 1 1.60 0.01 . 1 . . . . . . . . 5475 1 141 . 1 1 24 24 LYS HD2 H 1 1.76 0.01 . 1 . . . . . . . . 5475 1 142 . 1 1 24 24 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 5475 1 143 . 1 1 25 25 ALA H H 1 8.38 0.01 . 1 . . . . . . . . 5475 1 144 . 1 1 25 25 ALA HA H 1 3.66 0.01 . 1 . . . . . . . . 5475 1 145 . 1 1 25 25 ALA HB1 H 1 1.25 0.01 . 1 . . . . . . . . 5475 1 146 . 1 1 25 25 ALA HB2 H 1 1.25 0.01 . 1 . . . . . . . . 5475 1 147 . 1 1 25 25 ALA HB3 H 1 1.25 0.01 . 1 . . . . . . . . 5475 1 148 . 1 1 26 26 GLY H H 1 9.41 0.01 . 1 . . . . . . . . 5475 1 149 . 1 1 26 26 GLY HA2 H 1 4.32 0.01 . 1 . . . . . . . . 5475 1 150 . 1 1 26 26 GLY HA3 H 1 3.27 0.01 . 1 . . . . . . . . 5475 1 151 . 1 1 27 27 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 5475 1 152 . 1 1 27 27 GLU HA H 1 4.42 0.01 . 1 . . . . . . . . 5475 1 153 . 1 1 27 27 GLU HB2 H 1 2.19 0.01 . 1 . . . . . . . . 5475 1 154 . 1 1 27 27 GLU HG2 H 1 2.70 0.01 . 1 . . . . . . . . 5475 1 155 . 1 1 28 28 GLU H H 1 7.90 0.01 . 1 . . . . . . . . 5475 1 156 . 1 1 28 28 GLU HA H 1 5.38 0.01 . 1 . . . . . . . . 5475 1 157 . 1 1 28 28 GLU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 5475 1 158 . 1 1 28 28 GLU HB2 H 1 1.66 0.01 . 1 . . . . . . . . 5475 1 159 . 1 1 28 28 GLU HG2 H 1 2.06 0.01 . 2 . . . . . . . . 5475 1 160 . 1 1 28 28 GLU HG3 H 1 1.99 0.01 . 2 . . . . . . . . 5475 1 161 . 1 1 29 29 VAL H H 1 8.30 0.01 . 1 . . . . . . . . 5475 1 162 . 1 1 29 29 VAL HA H 1 4.12 0.01 . 1 . . . . . . . . 5475 1 163 . 1 1 29 29 VAL HB H 1 1.18 0.01 . 1 . . . . . . . . 5475 1 164 . 1 1 29 29 VAL HG11 H 1 0.48 0.01 . 2 . . . . . . . . 5475 1 165 . 1 1 29 29 VAL HG12 H 1 0.48 0.01 . 2 . . . . . . . . 5475 1 166 . 1 1 29 29 VAL HG13 H 1 0.48 0.01 . 2 . . . . . . . . 5475 1 167 . 1 1 29 29 VAL HG21 H 1 -0.62 0.01 . 2 . . . . . . . . 5475 1 168 . 1 1 29 29 VAL HG22 H 1 -0.62 0.01 . 2 . . . . . . . . 5475 1 169 . 1 1 29 29 VAL HG23 H 1 -0.62 0.01 . 2 . . . . . . . . 5475 1 170 . 1 1 30 30 LYS H H 1 8.11 0.01 . 1 . . . . . . . . 5475 1 171 . 1 1 30 30 LYS HA H 1 5.23 0.01 . 1 . . . . . . . . 5475 1 172 . 1 1 30 30 LYS HB2 H 1 1.70 0.01 . 1 . . . . . . . . 5475 1 173 . 1 1 30 30 LYS HB3 H 1 1.50 0.01 . 1 . . . . . . . . 5475 1 174 . 1 1 30 30 LYS HG2 H 1 1.90 0.01 . 1 . . . . . . . . 5475 1 175 . 1 1 30 30 LYS HE2 H 1 2.78 0.01 . 1 . . . . . . . . 5475 1 176 . 1 1 31 31 TRP H H 1 9.57 0.01 . 1 . . . . . . . . 5475 1 177 . 1 1 31 31 TRP HA H 1 5.63 0.01 . 1 . . . . . . . . 5475 1 178 . 1 1 31 31 TRP HB2 H 1 3.00 0.01 . 1 . . . . . . . . 5475 1 179 . 1 1 31 31 TRP HB3 H 1 3.10 0.01 . 1 . . . . . . . . 5475 1 180 . 1 1 31 31 TRP HD1 H 1 6.65 0.01 . 1 . . . . . . . . 5475 1 181 . 1 1 31 31 TRP HE1 H 1 8.99 0.01 . 1 . . . . . . . . 5475 1 182 . 1 1 31 31 TRP HE3 H 1 7.38 0.01 . 1 . . . . . . . . 5475 1 183 . 1 1 31 31 TRP HZ2 H 1 6.12 0.01 . 1 . . . . . . . . 5475 1 184 . 1 1 31 31 TRP HZ3 H 1 7.15 0.01 . 1 . . . . . . . . 5475 1 185 . 1 1 31 31 TRP HH2 H 1 6.97 0.01 . 1 . . . . . . . . 5475 1 186 . 1 1 32 32 VAL H H 1 8.92 0.01 . 1 . . . . . . . . 5475 1 187 . 1 1 32 32 VAL HA H 1 4.48 0.01 . 1 . . . . . . . . 5475 1 188 . 1 1 32 32 VAL HB H 1 1.75 0.01 . 1 . . . . . . . . 5475 1 189 . 1 1 32 32 VAL HG11 H 1 0.78 0.01 . 1 . . . . . . . . 5475 1 190 . 1 1 32 32 VAL HG12 H 1 0.78 0.01 . 1 . . . . . . . . 5475 1 191 . 1 1 32 32 VAL HG13 H 1 0.78 0.01 . 1 . . . . . . . . 5475 1 192 . 1 1 33 33 ASN H H 1 9.31 0.01 . 1 . . . . . . . . 5475 1 193 . 1 1 33 33 ASN HA H 1 4.75 0.01 . 1 . . . . . . . . 5475 1 194 . 1 1 33 33 ASN HB2 H 1 3.20 0.01 . 1 . . . . . . . . 5475 1 195 . 1 1 33 33 ASN HB3 H 1 2.46 0.01 . 1 . . . . . . . . 5475 1 196 . 1 1 33 33 ASN HD21 H 1 6.78 0.01 . 2 . . . . . . . . 5475 1 197 . 1 1 33 33 ASN HD22 H 1 5.76 0.01 . 2 . . . . . . . . 5475 1 198 . 1 1 34 34 ASN H H 1 8.49 0.01 . 1 . . . . . . . . 5475 1 199 . 1 1 34 34 ASN HA H 1 3.99 0.01 . 1 . . . . . . . . 5475 1 200 . 1 1 34 34 ASN HB2 H 1 2.25 0.01 . 1 . . . . . . . . 5475 1 201 . 1 1 35 35 LYS H H 1 7.85 0.01 . 1 . . . . . . . . 5475 1 202 . 1 1 35 35 LYS HA H 1 4.58 0.01 . 1 . . . . . . . . 5475 1 203 . 1 1 35 35 LYS HB2 H 1 1.55 0.01 . 2 . . . . . . . . 5475 1 204 . 1 1 35 35 LYS HB3 H 1 1.42 0.01 . 2 . . . . . . . . 5475 1 205 . 1 1 35 35 LYS HG2 H 1 1.28 0.01 . 1 . . . . . . . . 5475 1 206 . 1 1 35 35 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5475 1 207 . 1 1 35 35 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 5475 1 208 . 1 1 36 36 LEU H H 1 9.19 0.01 . 1 . . . . . . . . 5475 1 209 . 1 1 36 36 LEU HA H 1 3.85 0.01 . 1 . . . . . . . . 5475 1 210 . 1 1 36 36 LEU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5475 1 211 . 1 1 36 36 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 5475 1 212 . 1 1 37 37 SER H H 1 7.33 0.01 . 1 . . . . . . . . 5475 1 213 . 1 1 37 37 SER HA H 1 4.00 0.01 . 1 . . . . . . . . 5475 1 214 . 1 1 37 37 SER HB2 H 1 3.93 0.01 . 1 . . . . . . . . 5475 1 215 . 1 1 38 38 PRO HA H 1 4.00 0.01 . 1 . . . . . . . . 5475 1 216 . 1 1 38 38 PRO HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5475 1 217 . 1 1 38 38 PRO HG2 H 1 1.24 0.01 . 2 . . . . . . . . 5475 1 218 . 1 1 38 38 PRO HG3 H 1 1.50 0.01 . 2 . . . . . . . . 5475 1 219 . 1 1 38 38 PRO HD2 H 1 2.42 0.01 . 2 . . . . . . . . 5475 1 220 . 1 1 38 38 PRO HD3 H 1 2.64 0.01 . 2 . . . . . . . . 5475 1 221 . 1 1 39 39 HIS H H 1 6.80 0.01 . 1 . . . . . . . . 5475 1 222 . 1 1 39 39 HIS HA H 1 5.81 0.01 . 1 . . . . . . . . 5475 1 223 . 1 1 39 39 HIS HB3 H 1 3.65 0.01 . 1 . . . . . . . . 5475 1 224 . 1 1 39 39 HIS HB2 H 1 2.50 0.01 . 1 . . . . . . . . 5475 1 225 . 1 1 39 39 HIS HD2 H 1 7.38 0.01 . 1 . . . . . . . . 5475 1 226 . 1 1 39 39 HIS HE1 H 1 6.38 0.01 . 1 . . . . . . . . 5475 1 227 . 1 1 39 39 HIS HE2 H 1 11.56 0.01 . 1 . . . . . . . . 5475 1 228 . 1 1 40 40 ASN H H 1 9.46 0.01 . 1 . . . . . . . . 5475 1 229 . 1 1 40 40 ASN HA H 1 4.52 0.01 . 1 . . . . . . . . 5475 1 230 . 1 1 40 40 ASN HB2 H 1 2.64 0.01 . 1 . . . . . . . . 5475 1 231 . 1 1 41 41 ILE H H 1 6.73 0.01 . 1 . . . . . . . . 5475 1 232 . 1 1 41 41 ILE HA H 1 3.98 0.01 . 1 . . . . . . . . 5475 1 233 . 1 1 41 41 ILE HB H 1 0.99 0.01 . 1 . . . . . . . . 5475 1 234 . 1 1 41 41 ILE HG12 H 1 0.50 0.01 . 2 . . . . . . . . 5475 1 235 . 1 1 41 41 ILE HG13 H 1 0.28 0.01 . 2 . . . . . . . . 5475 1 236 . 1 1 41 41 ILE HG21 H 1 -0.68 0.01 . 1 . . . . . . . . 5475 1 237 . 1 1 41 41 ILE HG22 H 1 -0.68 0.01 . 1 . . . . . . . . 5475 1 238 . 1 1 41 41 ILE HG23 H 1 -0.68 0.01 . 1 . . . . . . . . 5475 1 239 . 1 1 41 41 ILE HD11 H 1 -0.15 0.01 . 1 . . . . . . . . 5475 1 240 . 1 1 41 41 ILE HD12 H 1 -0.15 0.01 . 1 . . . . . . . . 5475 1 241 . 1 1 41 41 ILE HD13 H 1 -0.15 0.01 . 1 . . . . . . . . 5475 1 242 . 1 1 42 42 VAL H H 1 8.93 0.01 . 1 . . . . . . . . 5475 1 243 . 1 1 42 42 VAL HA H 1 3.85 0.01 . 1 . . . . . . . . 5475 1 244 . 1 1 42 42 VAL HB H 1 1.08 0.01 . 1 . . . . . . . . 5475 1 245 . 1 1 42 42 VAL HG11 H 1 0.61 0.01 . 2 . . . . . . . . 5475 1 246 . 1 1 42 42 VAL HG12 H 1 0.61 0.01 . 2 . . . . . . . . 5475 1 247 . 1 1 42 42 VAL HG13 H 1 0.61 0.01 . 2 . . . . . . . . 5475 1 248 . 1 1 42 42 VAL HG21 H 1 0.56 0.01 . 2 . . . . . . . . 5475 1 249 . 1 1 42 42 VAL HG22 H 1 0.56 0.01 . 2 . . . . . . . . 5475 1 250 . 1 1 42 42 VAL HG23 H 1 0.56 0.01 . 2 . . . . . . . . 5475 1 251 . 1 1 43 43 PHE H H 1 8.25 0.01 . 1 . . . . . . . . 5475 1 252 . 1 1 43 43 PHE HA H 1 4.38 0.01 . 1 . . . . . . . . 5475 1 253 . 1 1 43 43 PHE HB2 H 1 3.00 0.01 . 2 . . . . . . . . 5475 1 254 . 1 1 43 43 PHE HB3 H 1 2.82 0.01 . 2 . . . . . . . . 5475 1 255 . 1 1 43 43 PHE HD1 H 1 7.12 0.01 . 1 . . . . . . . . 5475 1 256 . 1 1 43 43 PHE HE1 H 1 6.95 0.01 . 1 . . . . . . . . 5475 1 257 . 1 1 43 43 PHE HZ H 1 7.02 0.01 . 1 . . . . . . . . 5475 1 258 . 1 1 44 44 ALA H H 1 8.44 0.01 . 1 . . . . . . . . 5475 1 259 . 1 1 44 44 ALA HA H 1 4.38 0.01 . 1 . . . . . . . . 5475 1 260 . 1 1 44 44 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 5475 1 261 . 1 1 44 44 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 5475 1 262 . 1 1 44 44 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 5475 1 263 . 1 1 45 45 ALA H H 1 8.61 0.01 . 1 . . . . . . . . 5475 1 264 . 1 1 45 45 ALA HA H 1 4.48 0.01 . 1 . . . . . . . . 5475 1 265 . 1 1 45 45 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 5475 1 266 . 1 1 45 45 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 5475 1 267 . 1 1 45 45 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 5475 1 268 . 1 1 46 46 ASP H H 1 7.48 0.01 . 1 . . . . . . . . 5475 1 269 . 1 1 46 46 ASP HA H 1 4.78 0.01 . 1 . . . . . . . . 5475 1 270 . 1 1 46 46 ASP HB2 H 1 2.52 0.01 . 2 . . . . . . . . 5475 1 271 . 1 1 46 46 ASP HB3 H 1 2.68 0.01 . 2 . . . . . . . . 5475 1 272 . 1 1 47 47 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 5475 1 273 . 1 1 47 47 GLY HA2 H 1 4.12 0.01 . 1 . . . . . . . . 5475 1 274 . 1 1 47 47 GLY HA3 H 1 3.70 0.01 . 1 . . . . . . . . 5475 1 275 . 1 1 48 48 VAL H H 1 7.19 0.01 . 1 . . . . . . . . 5475 1 276 . 1 1 48 48 VAL HA H 1 4.38 0.01 . 1 . . . . . . . . 5475 1 277 . 1 1 48 48 VAL HB H 1 2.09 0.01 . 1 . . . . . . . . 5475 1 278 . 1 1 48 48 VAL HG11 H 1 0.94 0.01 . 2 . . . . . . . . 5475 1 279 . 1 1 48 48 VAL HG12 H 1 0.94 0.01 . 2 . . . . . . . . 5475 1 280 . 1 1 48 48 VAL HG13 H 1 0.94 0.01 . 2 . . . . . . . . 5475 1 281 . 1 1 48 48 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 5475 1 282 . 1 1 48 48 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 5475 1 283 . 1 1 48 48 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 5475 1 284 . 1 1 49 49 ASP H H 1 8.23 0.01 . 1 . . . . . . . . 5475 1 285 . 1 1 49 49 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 5475 1 286 . 1 1 49 49 ASP HB2 H 1 2.72 0.01 . 2 . . . . . . . . 5475 1 287 . 1 1 49 49 ASP HB3 H 1 2.91 0.01 . 2 . . . . . . . . 5475 1 288 . 1 1 50 50 ALA H H 1 8.76 0.01 . 1 . . . . . . . . 5475 1 289 . 1 1 50 50 ALA HA H 1 3.95 0.01 . 1 . . . . . . . . 5475 1 290 . 1 1 50 50 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 5475 1 291 . 1 1 50 50 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 5475 1 292 . 1 1 50 50 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 5475 1 293 . 1 1 51 51 ASP H H 1 8.50 0.01 . 1 . . . . . . . . 5475 1 294 . 1 1 51 51 ASP HA H 1 4.42 0.01 . 1 . . . . . . . . 5475 1 295 . 1 1 51 51 ASP HB2 H 1 2.72 0.01 . 2 . . . . . . . . 5475 1 296 . 1 1 51 51 ASP HB3 H 1 2.62 0.01 . 2 . . . . . . . . 5475 1 297 . 1 1 52 52 THR H H 1 8.21 0.01 . 1 . . . . . . . . 5475 1 298 . 1 1 52 52 THR HA H 1 4.20 0.01 . 1 . . . . . . . . 5475 1 299 . 1 1 52 52 THR HB H 1 3.70 0.01 . 1 . . . . . . . . 5475 1 300 . 1 1 52 52 THR HG21 H 1 1.16 0.01 . 1 . . . . . . . . 5475 1 301 . 1 1 52 52 THR HG22 H 1 1.16 0.01 . 1 . . . . . . . . 5475 1 302 . 1 1 52 52 THR HG23 H 1 1.16 0.01 . 1 . . . . . . . . 5475 1 303 . 1 1 53 53 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 5475 1 304 . 1 1 53 53 ALA HA H 1 4.10 0.01 . 1 . . . . . . . . 5475 1 305 . 1 1 53 53 ALA HB1 H 1 1.27 0.01 . 1 . . . . . . . . 5475 1 306 . 1 1 53 53 ALA HB2 H 1 1.27 0.01 . 1 . . . . . . . . 5475 1 307 . 1 1 53 53 ALA HB3 H 1 1.27 0.01 . 1 . . . . . . . . 5475 1 308 . 1 1 54 54 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 5475 1 309 . 1 1 54 54 ALA HA H 1 4.03 0.01 . 1 . . . . . . . . 5475 1 310 . 1 1 54 54 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5475 1 311 . 1 1 54 54 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5475 1 312 . 1 1 54 54 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5475 1 313 . 1 1 55 55 LYS H H 1 7.72 0.01 . 1 . . . . . . . . 5475 1 314 . 1 1 55 55 LYS HA H 1 3.98 0.01 . 1 . . . . . . . . 5475 1 315 . 1 1 55 55 LYS HB2 H 1 1.85 0.01 . 1 . . . . . . . . 5475 1 316 . 1 1 55 55 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 5475 1 317 . 1 1 55 55 LYS HD2 H 1 1.56 0.01 . 1 . . . . . . . . 5475 1 318 . 1 1 55 55 LYS HE2 H 1 2.88 0.01 . 1 . . . . . . . . 5475 1 319 . 1 1 56 56 LEU H H 1 7.19 0.01 . 1 . . . . . . . . 5475 1 320 . 1 1 56 56 LEU HA H 1 3.69 0.01 . 1 . . . . . . . . 5475 1 321 . 1 1 56 56 LEU HB2 H 1 1.36 0.01 . 1 . . . . . . . . 5475 1 322 . 1 1 56 56 LEU HG H 1 0.90 0.01 . 1 . . . . . . . . 5475 1 323 . 1 1 56 56 LEU HD11 H 1 -0.02 0.01 . 2 . . . . . . . . 5475 1 324 . 1 1 56 56 LEU HD12 H 1 -0.02 0.01 . 2 . . . . . . . . 5475 1 325 . 1 1 56 56 LEU HD13 H 1 -0.02 0.01 . 2 . . . . . . . . 5475 1 326 . 1 1 56 56 LEU HD21 H 1 -0.38 0.01 . 2 . . . . . . . . 5475 1 327 . 1 1 56 56 LEU HD22 H 1 -0.38 0.01 . 2 . . . . . . . . 5475 1 328 . 1 1 56 56 LEU HD23 H 1 -0.38 0.01 . 2 . . . . . . . . 5475 1 329 . 1 1 57 57 SER H H 1 6.97 0.01 . 1 . . . . . . . . 5475 1 330 . 1 1 57 57 SER HA H 1 4.05 0.01 . 1 . . . . . . . . 5475 1 331 . 1 1 58 58 HIS H H 1 9.45 0.01 . 1 . . . . . . . . 5475 1 332 . 1 1 58 58 HIS HA H 1 4.32 0.01 . 1 . . . . . . . . 5475 1 333 . 1 1 58 58 HIS HB2 H 1 2.20 0.01 . 1 . . . . . . . . 5475 1 334 . 1 1 58 58 HIS HD1 H 1 6.32 0.01 . 1 . . . . . . . . 5475 1 335 . 1 1 58 58 HIS HE1 H 1 8.71 0.01 . 1 . . . . . . . . 5475 1 336 . 1 1 59 59 LYS H H 1 8.56 0.01 . 1 . . . . . . . . 5475 1 337 . 1 1 59 59 LYS HA H 1 3.71 0.01 . 1 . . . . . . . . 5475 1 338 . 1 1 59 59 LYS HB2 H 1 1.74 0.01 . 1 . . . . . . . . 5475 1 339 . 1 1 59 59 LYS HB3 H 1 1.62 0.01 . 1 . . . . . . . . 5475 1 340 . 1 1 59 59 LYS HG2 H 1 1.32 0.01 . 1 . . . . . . . . 5475 1 341 . 1 1 59 59 LYS HD2 H 1 1.62 0.01 . 1 . . . . . . . . 5475 1 342 . 1 1 59 59 LYS HE2 H 1 2.88 0.01 . 1 . . . . . . . . 5475 1 343 . 1 1 60 60 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 5475 1 344 . 1 1 60 60 GLY HA2 H 1 3.92 0.01 . 1 . . . . . . . . 5475 1 345 . 1 1 60 60 GLY HA3 H 1 3.56 0.01 . 1 . . . . . . . . 5475 1 346 . 1 1 61 61 LEU H H 1 7.98 0.01 . 1 . . . . . . . . 5475 1 347 . 1 1 61 61 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5475 1 348 . 1 1 61 61 LEU HB2 H 1 1.70 0.01 . 2 . . . . . . . . 5475 1 349 . 1 1 61 61 LEU HB3 H 1 1.74 0.01 . 2 . . . . . . . . 5475 1 350 . 1 1 61 61 LEU HG H 1 1.60 0.01 . 1 . . . . . . . . 5475 1 351 . 1 1 61 61 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 5475 1 352 . 1 1 61 61 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 5475 1 353 . 1 1 61 61 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 5475 1 354 . 1 1 61 61 LEU HD21 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 355 . 1 1 61 61 LEU HD22 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 356 . 1 1 61 61 LEU HD23 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 357 . 1 1 62 62 ALA H H 1 8.97 0.01 . 1 . . . . . . . . 5475 1 358 . 1 1 62 62 ALA HA H 1 4.57 0.01 . 1 . . . . . . . . 5475 1 359 . 1 1 62 62 ALA HB1 H 1 1.18 0.01 . 1 . . . . . . . . 5475 1 360 . 1 1 62 62 ALA HB2 H 1 1.18 0.01 . 1 . . . . . . . . 5475 1 361 . 1 1 62 62 ALA HB3 H 1 1.18 0.01 . 1 . . . . . . . . 5475 1 362 . 1 1 63 63 PHE H H 1 8.56 0.01 . 1 . . . . . . . . 5475 1 363 . 1 1 63 63 PHE HA H 1 4.46 0.01 . 1 . . . . . . . . 5475 1 364 . 1 1 63 63 PHE HB2 H 1 3.06 0.01 . 2 . . . . . . . . 5475 1 365 . 1 1 63 63 PHE HB3 H 1 2.91 0.01 . 2 . . . . . . . . 5475 1 366 . 1 1 63 63 PHE HD1 H 1 7.24 0.01 . 1 . . . . . . . . 5475 1 367 . 1 1 63 63 PHE HE1 H 1 7.29 0.01 . 1 . . . . . . . . 5475 1 368 . 1 1 63 63 PHE HZ H 1 7.29 0.01 . 1 . . . . . . . . 5475 1 369 . 1 1 64 64 ALA H H 1 8.71 0.01 . 1 . . . . . . . . 5475 1 370 . 1 1 64 64 ALA HA H 1 4.52 0.01 . 1 . . . . . . . . 5475 1 371 . 1 1 64 64 ALA HB1 H 1 1.44 0.01 . 1 . . . . . . . . 5475 1 372 . 1 1 64 64 ALA HB2 H 1 1.44 0.01 . 1 . . . . . . . . 5475 1 373 . 1 1 64 64 ALA HB3 H 1 1.44 0.01 . 1 . . . . . . . . 5475 1 374 . 1 1 65 65 ALA H H 1 8.90 0.01 . 1 . . . . . . . . 5475 1 375 . 1 1 65 65 ALA HA H 1 4.00 0.01 . 1 . . . . . . . . 5475 1 376 . 1 1 65 65 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 5475 1 377 . 1 1 65 65 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 5475 1 378 . 1 1 65 65 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5475 1 379 . 1 1 66 66 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 5475 1 380 . 1 1 66 66 GLY HA2 H 1 4.28 0.01 . 1 . . . . . . . . 5475 1 381 . 1 1 66 66 GLY HA3 H 1 3.55 0.01 . 1 . . . . . . . . 5475 1 382 . 1 1 67 67 GLU H H 1 7.56 0.01 . 1 . . . . . . . . 5475 1 383 . 1 1 67 67 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 5475 1 384 . 1 1 67 67 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 5475 1 385 . 1 1 67 67 GLU HB3 H 1 1.94 0.01 . 2 . . . . . . . . 5475 1 386 . 1 1 67 67 GLU HG2 H 1 2.35 0.01 . 2 . . . . . . . . 5475 1 387 . 1 1 67 67 GLU HG3 H 1 2.20 0.01 . 2 . . . . . . . . 5475 1 388 . 1 1 68 68 SER H H 1 8.24 0.01 . 1 . . . . . . . . 5475 1 389 . 1 1 68 68 SER HA H 1 5.76 0.01 . 1 . . . . . . . . 5475 1 390 . 1 1 68 68 SER HB2 H 1 3.70 0.01 . 1 . . . . . . . . 5475 1 391 . 1 1 68 68 SER HB3 H 1 3.57 0.01 . 1 . . . . . . . . 5475 1 392 . 1 1 69 69 PHE H H 1 8.65 0.01 . 1 . . . . . . . . 5475 1 393 . 1 1 69 69 PHE HA H 1 4.93 0.01 . 1 . . . . . . . . 5475 1 394 . 1 1 69 69 PHE HB3 H 1 1.80 0.01 . 1 . . . . . . . . 5475 1 395 . 1 1 69 69 PHE HB2 H 1 2.51 0.01 . 1 . . . . . . . . 5475 1 396 . 1 1 69 69 PHE HD1 H 1 6.97 0.01 . 1 . . . . . . . . 5475 1 397 . 1 1 69 69 PHE HE1 H 1 7.11 0.01 . 1 . . . . . . . . 5475 1 398 . 1 1 69 69 PHE HZ H 1 7.27 0.01 . 1 . . . . . . . . 5475 1 399 . 1 1 70 70 THR H H 1 8.69 0.01 . 1 . . . . . . . . 5475 1 400 . 1 1 70 70 THR HA H 1 5.97 0.01 . 1 . . . . . . . . 5475 1 401 . 1 1 70 70 THR HB H 1 3.96 0.01 . 1 . . . . . . . . 5475 1 402 . 1 1 70 70 THR HG21 H 1 1.05 0.01 . 1 . . . . . . . . 5475 1 403 . 1 1 70 70 THR HG22 H 1 1.05 0.01 . 1 . . . . . . . . 5475 1 404 . 1 1 70 70 THR HG23 H 1 1.05 0.01 . 1 . . . . . . . . 5475 1 405 . 1 1 71 71 SER H H 1 8.94 0.01 . 1 . . . . . . . . 5475 1 406 . 1 1 71 71 SER HA H 1 5.04 0.01 . 1 . . . . . . . . 5475 1 407 . 1 1 71 71 SER HB2 H 1 3.50 0.01 . 1 . . . . . . . . 5475 1 408 . 1 1 71 71 SER HB3 H 1 3.83 0.01 . 1 . . . . . . . . 5475 1 409 . 1 1 72 72 THR H H 1 8.36 0.01 . 1 . . . . . . . . 5475 1 410 . 1 1 72 72 THR HA H 1 4.56 0.01 . 1 . . . . . . . . 5475 1 411 . 1 1 72 72 THR HB H 1 3.68 0.01 . 1 . . . . . . . . 5475 1 412 . 1 1 72 72 THR HG21 H 1 0.89 0.01 . 1 . . . . . . . . 5475 1 413 . 1 1 72 72 THR HG22 H 1 0.89 0.01 . 1 . . . . . . . . 5475 1 414 . 1 1 72 72 THR HG23 H 1 0.89 0.01 . 1 . . . . . . . . 5475 1 415 . 1 1 73 73 PHE H H 1 8.10 0.01 . 1 . . . . . . . . 5475 1 416 . 1 1 73 73 PHE HA H 1 4.24 0.01 . 1 . . . . . . . . 5475 1 417 . 1 1 73 73 PHE HB2 H 1 2.78 0.01 . 1 . . . . . . . . 5475 1 418 . 1 1 73 73 PHE HB3 H 1 2.42 0.01 . 1 . . . . . . . . 5475 1 419 . 1 1 73 73 PHE HD1 H 1 6.32 0.01 . 1 . . . . . . . . 5475 1 420 . 1 1 73 73 PHE HE1 H 1 6.51 0.01 . 1 . . . . . . . . 5475 1 421 . 1 1 73 73 PHE HZ H 1 7.10 0.01 . 1 . . . . . . . . 5475 1 422 . 1 1 74 74 THR H H 1 8.17 0.01 . 1 . . . . . . . . 5475 1 423 . 1 1 74 74 THR HA H 1 3.98 0.01 . 1 . . . . . . . . 5475 1 424 . 1 1 74 74 THR HB H 1 3.82 0.01 . 1 . . . . . . . . 5475 1 425 . 1 1 74 74 THR HG21 H 1 1.08 0.01 . 1 . . . . . . . . 5475 1 426 . 1 1 74 74 THR HG22 H 1 1.08 0.01 . 1 . . . . . . . . 5475 1 427 . 1 1 74 74 THR HG23 H 1 1.08 0.01 . 1 . . . . . . . . 5475 1 428 . 1 1 75 75 GLU H H 1 8.11 0.01 . 1 . . . . . . . . 5475 1 429 . 1 1 75 75 GLU HA H 1 5.07 0.01 . 1 . . . . . . . . 5475 1 430 . 1 1 75 75 GLU HB2 H 1 1.88 0.01 . 1 . . . . . . . . 5475 1 431 . 1 1 75 75 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5475 1 432 . 1 1 75 75 GLU HG2 H 1 2.30 0.01 . 1 . . . . . . . . 5475 1 433 . 1 1 76 76 PRO HA H 1 4.30 0.01 . 1 . . . . . . . . 5475 1 434 . 1 1 76 76 PRO HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5475 1 435 . 1 1 76 76 PRO HB3 H 1 2.35 0.01 . 2 . . . . . . . . 5475 1 436 . 1 1 76 76 PRO HG2 H 1 1.94 0.01 . 2 . . . . . . . . 5475 1 437 . 1 1 76 76 PRO HG3 H 1 1.92 0.01 . 2 . . . . . . . . 5475 1 438 . 1 1 76 76 PRO HD2 H 1 3.78 0.01 . 2 . . . . . . . . 5475 1 439 . 1 1 76 76 PRO HD3 H 1 3.82 0.01 . 2 . . . . . . . . 5475 1 440 . 1 1 77 77 GLY H H 1 8.99 0.01 . 1 . . . . . . . . 5475 1 441 . 1 1 77 77 GLY HA2 H 1 4.17 0.01 . 1 . . . . . . . . 5475 1 442 . 1 1 77 77 GLY HA3 H 1 3.83 0.01 . 1 . . . . . . . . 5475 1 443 . 1 1 78 78 THR H H 1 8.02 0.01 . 1 . . . . . . . . 5475 1 444 . 1 1 78 78 THR HA H 1 5.00 0.01 . 1 . . . . . . . . 5475 1 445 . 1 1 78 78 THR HB H 1 3.89 0.01 . 1 . . . . . . . . 5475 1 446 . 1 1 78 78 THR HG21 H 1 1.10 0.01 . 1 . . . . . . . . 5475 1 447 . 1 1 78 78 THR HG22 H 1 1.10 0.01 . 1 . . . . . . . . 5475 1 448 . 1 1 78 78 THR HG23 H 1 1.10 0.01 . 1 . . . . . . . . 5475 1 449 . 1 1 79 79 TYR H H 1 9.69 0.01 . 1 . . . . . . . . 5475 1 450 . 1 1 79 79 TYR HA H 1 4.97 0.01 . 1 . . . . . . . . 5475 1 451 . 1 1 79 79 TYR HB3 H 1 3.42 0.01 . 1 . . . . . . . . 5475 1 452 . 1 1 79 79 TYR HB2 H 1 3.32 0.01 . 1 . . . . . . . . 5475 1 453 . 1 1 79 79 TYR HD1 H 1 7.08 0.01 . 1 . . . . . . . . 5475 1 454 . 1 1 79 79 TYR HE1 H 1 6.62 0.01 . 1 . . . . . . . . 5475 1 455 . 1 1 80 80 THR H H 1 9.31 0.01 . 1 . . . . . . . . 5475 1 456 . 1 1 80 80 THR HA H 1 5.03 0.01 . 1 . . . . . . . . 5475 1 457 . 1 1 80 80 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 5475 1 458 . 1 1 80 80 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5475 1 459 . 1 1 80 80 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5475 1 460 . 1 1 80 80 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5475 1 461 . 1 1 81 81 TYR H H 1 8.68 0.01 . 1 . . . . . . . . 5475 1 462 . 1 1 81 81 TYR HA H 1 5.15 0.01 . 1 . . . . . . . . 5475 1 463 . 1 1 81 81 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 5475 1 464 . 1 1 81 81 TYR HB3 H 1 2.96 0.01 . 2 . . . . . . . . 5475 1 465 . 1 1 81 81 TYR HD1 H 1 6.64 0.01 . 1 . . . . . . . . 5475 1 466 . 1 1 81 81 TYR HE1 H 1 6.55 0.01 . 1 . . . . . . . . 5475 1 467 . 1 1 82 82 TYR H H 1 8.50 0.01 . 1 . . . . . . . . 5475 1 468 . 1 1 82 82 TYR HA H 1 5.15 0.01 . 1 . . . . . . . . 5475 1 469 . 1 1 82 82 TYR HB2 H 1 3.50 0.01 . 1 . . . . . . . . 5475 1 470 . 1 1 82 82 TYR HB3 H 1 3.70 0.01 . 1 . . . . . . . . 5475 1 471 . 1 1 82 82 TYR HD1 H 1 7.15 0.01 . 1 . . . . . . . . 5475 1 472 . 1 1 82 82 TYR HE1 H 1 6.94 0.01 . 1 . . . . . . . . 5475 1 473 . 1 1 83 83 CYS H H 1 7.60 0.01 . 1 . . . . . . . . 5475 1 474 . 1 1 83 83 CYS HA H 1 5.22 0.01 . 1 . . . . . . . . 5475 1 475 . 1 1 83 83 CYS HB2 H 1 3.42 0.01 . 1 . . . . . . . . 5475 1 476 . 1 1 83 83 CYS HB3 H 1 2.95 0.01 . 1 . . . . . . . . 5475 1 477 . 1 1 84 84 GLU H H 1 9.90 0.01 . 1 . . . . . . . . 5475 1 478 . 1 1 84 84 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5475 1 479 . 1 1 84 84 GLU HB2 H 1 2.32 0.01 . 1 . . . . . . . . 5475 1 480 . 1 1 84 84 GLU HG2 H 1 2.55 0.01 . 1 . . . . . . . . 5475 1 481 . 1 1 85 85 PRO HA H 1 5.12 0.01 . 1 . . . . . . . . 5475 1 482 . 1 1 85 85 PRO HB2 H 1 1.50 0.01 . 1 . . . . . . . . 5475 1 483 . 1 1 85 85 PRO HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5475 1 484 . 1 1 85 85 PRO HG2 H 1 1.10 0.01 . 1 . . . . . . . . 5475 1 485 . 1 1 85 85 PRO HD2 H 1 3.24 0.01 . 1 . . . . . . . . 5475 1 486 . 1 1 86 86 HIS H H 1 8.24 0.01 . 1 . . . . . . . . 5475 1 487 . 1 1 86 86 HIS HA H 1 4.57 0.01 . 1 . . . . . . . . 5475 1 488 . 1 1 86 86 HIS HB2 H 1 2.76 0.01 . 1 . . . . . . . . 5475 1 489 . 1 1 87 87 ARG H H 1 8.02 0.01 . 1 . . . . . . . . 5475 1 490 . 1 1 87 87 ARG HA H 1 4.08 0.01 . 1 . . . . . . . . 5475 1 491 . 1 1 87 87 ARG HB2 H 1 1.56 0.01 . 2 . . . . . . . . 5475 1 492 . 1 1 87 87 ARG HB3 H 1 1.12 0.01 . 2 . . . . . . . . 5475 1 493 . 1 1 88 88 GLY H H 1 9.05 0.01 . 1 . . . . . . . . 5475 1 494 . 1 1 88 88 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 5475 1 495 . 1 1 88 88 GLY HA3 H 1 4.37 0.01 . 1 . . . . . . . . 5475 1 496 . 1 1 89 89 ALA H H 1 7.45 0.01 . 1 . . . . . . . . 5475 1 497 . 1 1 89 89 ALA HA H 1 4.60 0.01 . 1 . . . . . . . . 5475 1 498 . 1 1 89 89 ALA HB1 H 1 1.60 0.01 . 1 . . . . . . . . 5475 1 499 . 1 1 89 89 ALA HB2 H 1 1.60 0.01 . 1 . . . . . . . . 5475 1 500 . 1 1 89 89 ALA HB3 H 1 1.60 0.01 . 1 . . . . . . . . 5475 1 501 . 1 1 90 90 GLY H H 1 8.15 0.01 . 1 . . . . . . . . 5475 1 502 . 1 1 90 90 GLY HA2 H 1 5.10 0.01 . 1 . . . . . . . . 5475 1 503 . 1 1 90 90 GLY HA3 H 1 3.85 0.01 . 1 . . . . . . . . 5475 1 504 . 1 1 91 91 MET H H 1 7.19 0.01 . 1 . . . . . . . . 5475 1 505 . 1 1 91 91 MET HA H 1 4.51 0.01 . 1 . . . . . . . . 5475 1 506 . 1 1 91 91 MET HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5475 1 507 . 1 1 91 91 MET HB3 H 1 2.55 0.01 . 2 . . . . . . . . 5475 1 508 . 1 1 91 91 MET HG2 H 1 1.53 0.01 . 1 . . . . . . . . 5475 1 509 . 1 1 92 92 VAL H H 1 7.76 0.01 . 1 . . . . . . . . 5475 1 510 . 1 1 92 92 VAL HA H 1 4.95 0.01 . 1 . . . . . . . . 5475 1 511 . 1 1 92 92 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 5475 1 512 . 1 1 92 92 VAL HG11 H 1 0.84 0.01 . 2 . . . . . . . . 5475 1 513 . 1 1 92 92 VAL HG12 H 1 0.84 0.01 . 2 . . . . . . . . 5475 1 514 . 1 1 92 92 VAL HG13 H 1 0.84 0.01 . 2 . . . . . . . . 5475 1 515 . 1 1 92 92 VAL HG21 H 1 0.94 0.01 . 2 . . . . . . . . 5475 1 516 . 1 1 92 92 VAL HG22 H 1 0.94 0.01 . 2 . . . . . . . . 5475 1 517 . 1 1 92 92 VAL HG23 H 1 0.94 0.01 . 2 . . . . . . . . 5475 1 518 . 1 1 93 93 GLY H H 1 8.48 0.01 . 1 . . . . . . . . 5475 1 519 . 1 1 93 93 GLY HA2 H 1 5.05 0.01 . 1 . . . . . . . . 5475 1 520 . 1 1 93 93 GLY HA3 H 1 4.25 0.01 . 1 . . . . . . . . 5475 1 521 . 1 1 94 94 LYS H H 1 8.67 0.01 . 1 . . . . . . . . 5475 1 522 . 1 1 94 94 LYS HA H 1 5.48 0.01 . 1 . . . . . . . . 5475 1 523 . 1 1 94 94 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 5475 1 524 . 1 1 94 94 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 5475 1 525 . 1 1 94 94 LYS HD2 H 1 1.42 0.01 . 1 . . . . . . . . 5475 1 526 . 1 1 94 94 LYS HE2 H 1 2.82 0.01 . 1 . . . . . . . . 5475 1 527 . 1 1 95 95 VAL H H 1 9.32 0.01 . 1 . . . . . . . . 5475 1 528 . 1 1 95 95 VAL HA H 1 4.57 0.01 . 1 . . . . . . . . 5475 1 529 . 1 1 95 95 VAL HB H 1 1.80 0.01 . 1 . . . . . . . . 5475 1 530 . 1 1 95 95 VAL HG11 H 1 0.98 0.01 . 2 . . . . . . . . 5475 1 531 . 1 1 95 95 VAL HG12 H 1 0.98 0.01 . 2 . . . . . . . . 5475 1 532 . 1 1 95 95 VAL HG13 H 1 0.98 0.01 . 2 . . . . . . . . 5475 1 533 . 1 1 95 95 VAL HG21 H 1 -0.21 0.01 . 2 . . . . . . . . 5475 1 534 . 1 1 95 95 VAL HG22 H 1 -0.21 0.01 . 2 . . . . . . . . 5475 1 535 . 1 1 95 95 VAL HG23 H 1 -0.21 0.01 . 2 . . . . . . . . 5475 1 536 . 1 1 96 96 VAL H H 1 9.36 0.01 . 1 . . . . . . . . 5475 1 537 . 1 1 96 96 VAL HA H 1 4.45 0.01 . 1 . . . . . . . . 5475 1 538 . 1 1 96 96 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 5475 1 539 . 1 1 96 96 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 5475 1 540 . 1 1 96 96 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 5475 1 541 . 1 1 96 96 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 5475 1 542 . 1 1 97 97 VAL H H 1 9.19 0.01 . 1 . . . . . . . . 5475 1 543 . 1 1 97 97 VAL HA H 1 4.55 0.01 . 1 . . . . . . . . 5475 1 544 . 1 1 97 97 VAL HB H 1 2.40 0.01 . 1 . . . . . . . . 5475 1 545 . 1 1 97 97 VAL HG11 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 546 . 1 1 97 97 VAL HG12 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 547 . 1 1 97 97 VAL HG13 H 1 0.58 0.01 . 2 . . . . . . . . 5475 1 548 . 1 1 97 97 VAL HG21 H 1 0.62 0.01 . 2 . . . . . . . . 5475 1 549 . 1 1 97 97 VAL HG22 H 1 0.62 0.01 . 2 . . . . . . . . 5475 1 550 . 1 1 97 97 VAL HG23 H 1 0.62 0.01 . 2 . . . . . . . . 5475 1 551 . 1 1 98 98 GLU H H 1 9.05 0.01 . 1 . . . . . . . . 5475 1 552 . 1 1 98 98 GLU HA H 1 4.32 0.01 . 1 . . . . . . . . 5475 1 553 . 1 1 98 98 GLU HB2 H 1 1.90 0.01 . 1 . . . . . . . . 5475 1 554 . 1 1 98 98 GLU HB3 H 1 1.96 0.01 . 1 . . . . . . . . 5475 1 555 . 1 1 98 98 GLU HG2 H 1 2.10 0.01 . 2 . . . . . . . . 5475 1 556 . 1 1 98 98 GLU HG3 H 1 2.20 0.01 . 2 . . . . . . . . 5475 1 stop_ save_