data_4852 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4852 _Entry.Title ; 1H and 15N chemical shift assignments for Herpersvirus-8 MIP-II ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-08 _Entry.Accession_date 2000-10-09 _Entry.Last_release_date 2000-10-23 _Entry.Original_release_date 2000-10-23 _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 Weiping Shao . . . 4852 2 E. Fernandez . . . 4852 3 J. Wilken . . . 4852 4 D. Thompson . A. . 4852 5 M Siani . A. . 4852 6 J. West . . . 4852 7 E. Lolis . . . 4852 8 B Schweitzer . I . 4852 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4852 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 546 4852 '15N chemical shifts' 73 4852 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 . . 2000-10-23 2000-10-08 original author . 4852 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4852 _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 ; Accessibility of selenomethionine proteins by total synthesis: structural studies of human herpesvirus-8 MIP-II ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 441 _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 77 _Citation.Page_last 82 _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 Weiping Shao . . . 4852 1 2 E. Fernandez . . . 4852 1 3 J. Wilken . . . 4852 1 4 D. Thompson . A. . 4852 1 5 M Siani . A. . 4852 1 6 J. West . . . 4852 1 7 E. Lolis . . . 4852 1 8 B Schweitzer . I . 4852 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chemokine 4852 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_vMIP-II _Assembly.Sf_category assembly _Assembly.Sf_framecode system_vMIP-II _Assembly.Entry_ID 4852 _Assembly.ID 1 _Assembly.Name 'vMIP-II monomer' _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 4852 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 'vMIP-II monomer' 1 $vMIP-II . . . native . . . . . 4852 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 14 14 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . 4852 1 2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 4852 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 14 14 HG . . . . 4852 1 2 . 1 1 CYS 15 15 HG . . . . 4852 1 3 . 1 1 CYS 38 38 HG . . . . 4852 1 4 . 1 1 CYS 54 54 HG . . . . 4852 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'vMIP-II monomer' system 4852 1 vMIP-II abbreviation 4852 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_vMIP-II _Entity.Sf_category entity _Entity.Sf_framecode vMIP-II _Entity.Entry_ID 4852 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'herpesvirus-8 macrophage inflammatory protein-II' _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 ; GDTLGASWHRPDKCCLGYQK RPLPQVLLSSWYPTSQLCSK PGVIFLTKRGRQVCADKSKD WVKKLMQQLPVTAR ; _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 74 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 4914 . vMIP-II . . . . . 95.95 71 100.00 100.00 4.57e-43 . . . . 4852 1 2 no PDB 1CM9 . "Crystal Structure Of Viral Macrophage Inflammatory Protein-Ii" . . . . . 100.00 74 98.65 98.65 1.72e-44 . . . . 4852 1 3 no PDB 1HFG . "Nmr Solution Structure Of Vmip-Ii 1-71 From Kaposi's Sarcoma-Associated Herpesvirus (Minimized Average Structure)." . . . . . 95.95 71 100.00 100.00 4.57e-43 . . . . 4852 1 4 no PDB 1HFN . "Nmr Solution Structures Of Vmip-Ii 1-71 From Kaposi's Sarcoma-Associated Herpesvirus." . . . . . 95.95 71 100.00 100.00 4.57e-43 . . . . 4852 1 5 no PDB 1HHV . "Solution Structure Of Virus Chemokine Vmip-Ii" . . . . . 100.00 74 98.65 98.65 1.72e-44 . . . . 4852 1 6 no PDB 1VMP . "Structure Of The Anti-Hiv Chemokine Vmip-Ii" . . . . . 95.95 71 100.00 100.00 4.57e-43 . . . . 4852 1 7 no PDB 2FHT . "Crystal Structure Of Viral Macrophage Inflammatory Protein- Ii" . . . . . 95.95 71 100.00 100.00 4.57e-43 . . . . 4852 1 8 no PDB 2FJ2 . "Crystal Structure Of Viral Macrophage Inflammatory Protein- Ii" . . . . . 95.95 71 100.00 100.00 4.57e-43 . . . . 4852 1 9 no GB AAB61702 . "vMIP-1B [Human herpesvirus 8]" . . . . . 100.00 94 100.00 100.00 5.73e-46 . . . . 4852 1 10 no GB AAB62642 . "ORF K4 [Human herpesvirus 8]" . . . . . 100.00 94 100.00 100.00 5.73e-46 . . . . 4852 1 11 no GB AAC34941 . "unknown [Human herpesvirus 8]" . . . . . 100.00 94 100.00 100.00 5.73e-46 . . . . 4852 1 12 no GB AAC57093 . "ORF K4 [Human herpesvirus 8 type M]" . . . . . 100.00 94 100.00 100.00 5.73e-46 . . . . 4852 1 13 no GB ABD28861 . "K4 [Human herpesvirus 8]" . . . . . 100.00 94 100.00 100.00 5.73e-46 . . . . 4852 1 14 no REF YP_001129362 . "K4 [Human herpesvirus 8]" . . . . . 100.00 94 100.00 100.00 5.73e-46 . . . . 4852 1 15 no SP Q98157 . "RecName: Full=Viral macrophage inflammatory protein 2; AltName: Full=Viral macrophage inflammatory protein II; Short=vMIP-II; A" . . . . . 100.00 94 100.00 100.00 5.73e-46 . . . . 4852 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'herpesvirus-8 macrophage inflammatory protein-II' common 4852 1 vMIP-II abbreviation 4852 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4852 1 2 . ASP . 4852 1 3 . THR . 4852 1 4 . LEU . 4852 1 5 . GLY . 4852 1 6 . ALA . 4852 1 7 . SER . 4852 1 8 . TRP . 4852 1 9 . HIS . 4852 1 10 . ARG . 4852 1 11 . PRO . 4852 1 12 . ASP . 4852 1 13 . LYS . 4852 1 14 . CYS . 4852 1 15 . CYS . 4852 1 16 . LEU . 4852 1 17 . GLY . 4852 1 18 . TYR . 4852 1 19 . GLN . 4852 1 20 . LYS . 4852 1 21 . ARG . 4852 1 22 . PRO . 4852 1 23 . LEU . 4852 1 24 . PRO . 4852 1 25 . GLN . 4852 1 26 . VAL . 4852 1 27 . LEU . 4852 1 28 . LEU . 4852 1 29 . SER . 4852 1 30 . SER . 4852 1 31 . TRP . 4852 1 32 . TYR . 4852 1 33 . PRO . 4852 1 34 . THR . 4852 1 35 . SER . 4852 1 36 . GLN . 4852 1 37 . LEU . 4852 1 38 . CYS . 4852 1 39 . SER . 4852 1 40 . LYS . 4852 1 41 . PRO . 4852 1 42 . GLY . 4852 1 43 . VAL . 4852 1 44 . ILE . 4852 1 45 . PHE . 4852 1 46 . LEU . 4852 1 47 . THR . 4852 1 48 . LYS . 4852 1 49 . ARG . 4852 1 50 . GLY . 4852 1 51 . ARG . 4852 1 52 . GLN . 4852 1 53 . VAL . 4852 1 54 . CYS . 4852 1 55 . ALA . 4852 1 56 . ASP . 4852 1 57 . LYS . 4852 1 58 . SER . 4852 1 59 . LYS . 4852 1 60 . ASP . 4852 1 61 . TRP . 4852 1 62 . VAL . 4852 1 63 . LYS . 4852 1 64 . LYS . 4852 1 65 . LEU . 4852 1 66 . MET . 4852 1 67 . GLN . 4852 1 68 . GLN . 4852 1 69 . LEU . 4852 1 70 . PRO . 4852 1 71 . VAL . 4852 1 72 . THR . 4852 1 73 . ALA . 4852 1 74 . ARG . 4852 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4852 1 . ASP 2 2 4852 1 . THR 3 3 4852 1 . LEU 4 4 4852 1 . GLY 5 5 4852 1 . ALA 6 6 4852 1 . SER 7 7 4852 1 . TRP 8 8 4852 1 . HIS 9 9 4852 1 . ARG 10 10 4852 1 . PRO 11 11 4852 1 . ASP 12 12 4852 1 . LYS 13 13 4852 1 . CYS 14 14 4852 1 . CYS 15 15 4852 1 . LEU 16 16 4852 1 . GLY 17 17 4852 1 . TYR 18 18 4852 1 . GLN 19 19 4852 1 . LYS 20 20 4852 1 . ARG 21 21 4852 1 . PRO 22 22 4852 1 . LEU 23 23 4852 1 . PRO 24 24 4852 1 . GLN 25 25 4852 1 . VAL 26 26 4852 1 . LEU 27 27 4852 1 . LEU 28 28 4852 1 . SER 29 29 4852 1 . SER 30 30 4852 1 . TRP 31 31 4852 1 . TYR 32 32 4852 1 . PRO 33 33 4852 1 . THR 34 34 4852 1 . SER 35 35 4852 1 . GLN 36 36 4852 1 . LEU 37 37 4852 1 . CYS 38 38 4852 1 . SER 39 39 4852 1 . LYS 40 40 4852 1 . PRO 41 41 4852 1 . GLY 42 42 4852 1 . VAL 43 43 4852 1 . ILE 44 44 4852 1 . PHE 45 45 4852 1 . LEU 46 46 4852 1 . THR 47 47 4852 1 . LYS 48 48 4852 1 . ARG 49 49 4852 1 . GLY 50 50 4852 1 . ARG 51 51 4852 1 . GLN 52 52 4852 1 . VAL 53 53 4852 1 . CYS 54 54 4852 1 . ALA 55 55 4852 1 . ASP 56 56 4852 1 . LYS 57 57 4852 1 . SER 58 58 4852 1 . LYS 59 59 4852 1 . ASP 60 60 4852 1 . TRP 61 61 4852 1 . VAL 62 62 4852 1 . LYS 63 63 4852 1 . LYS 64 64 4852 1 . LEU 65 65 4852 1 . MET 66 66 4852 1 . GLN 67 67 4852 1 . GLN 68 68 4852 1 . LEU 69 69 4852 1 . PRO 70 70 4852 1 . VAL 71 71 4852 1 . THR 72 72 4852 1 . ALA 73 73 4852 1 . ARG 74 74 4852 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 4852 _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 $vMIP-II . 37296 . . 'Kaposi's sarcoma-associated herpesvirus' 'Human herpesvirus 8' . . . . . 'Kaposi's sarcoma-associated herpesvirus' . . . . . . . . . . . . . . . . . . . . . 4852 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 4852 _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 $vMIP-II . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4852 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 4852 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in H2O' _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 'herpesvirus-8 macrophage inflammatory protein-II' . . . 1 $vMIP-II . . 2 . . mM . . . . 4852 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4852 1 3 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4852 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 4852 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in D2O' _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 'herpesvirus-8 macrophage inflammatory protein-II' . . . 1 $vMIP-II . . 2 . . mM . . . . 4852 2 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4852 2 3 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4852 2 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 4852 _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 3.25 0.1 n/a 4852 1 temperature 308 0.1 K 4852 1 'ionic strength' 0.10 0.001 M 4852 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4852 _Software.ID 1 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4852 1 assignment 4852 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 4852 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity plus' _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 4852 _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 Varian 'Unity plus' . 600 . . . 4852 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 4852 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4852 1 2 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4852 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4852 1 4 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4852 1 5 ROESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4852 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 4852 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _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 4852 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4852 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4852 _NMR_spec_expt.ID 4 _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_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4852 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name ROESY _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 4852 _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 . . . . . . . . . . 4852 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4852 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_CHEMICAL_SHIFT_LIST_FOR_vMIP-II _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CHEMICAL_SHIFT_LIST_FOR_vMIP-II _Assigned_chem_shift_list.Entry_ID 4852 _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 $Sample_1 . 4852 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 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 4852 1 2 . 1 1 1 1 GLY HA2 H 1 3.76 0.02 . 2 . . . . . . . . 4852 1 3 . 1 1 1 1 GLY HA3 H 1 4.13 0.02 . 2 . . . . . . . . 4852 1 4 . 1 1 2 2 ASP H H 1 8.68 0.02 . 1 . . . . . . . . 4852 1 5 . 1 1 2 2 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 4852 1 6 . 1 1 2 2 ASP HB2 H 1 2.80 0.02 . 2 . . . . . . . . 4852 1 7 . 1 1 2 2 ASP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4852 1 8 . 1 1 2 2 ASP N N 15 127.0 0.2 . 1 . . . . . . . . 4852 1 9 . 1 1 3 3 THR H H 1 8.21 0.02 . 1 . . . . . . . . 4852 1 10 . 1 1 3 3 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 4852 1 11 . 1 1 3 3 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 4852 1 12 . 1 1 3 3 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4852 1 13 . 1 1 3 3 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4852 1 14 . 1 1 3 3 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4852 1 15 . 1 1 4 4 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 4852 1 16 . 1 1 4 4 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 4852 1 17 . 1 1 4 4 LEU HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4852 1 18 . 1 1 4 4 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4852 1 19 . 1 1 4 4 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 4852 1 20 . 1 1 4 4 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 4852 1 21 . 1 1 4 4 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 4852 1 22 . 1 1 4 4 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 4852 1 23 . 1 1 4 4 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 4852 1 24 . 1 1 4 4 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 4852 1 25 . 1 1 4 4 LEU N N 15 128.4 0.2 . 1 . . . . . . . . 4852 1 26 . 1 1 5 5 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 4852 1 27 . 1 1 5 5 GLY HA2 H 1 3.90 0.02 . 1 . . . . . . . . 4852 1 28 . 1 1 5 5 GLY HA3 H 1 3.90 0.02 . 1 . . . . . . . . 4852 1 29 . 1 1 5 5 GLY N N 15 113.31 0.2 . 1 . . . . . . . . 4852 1 30 . 1 1 6 6 ALA H H 1 8.06 0.02 . 1 . . . . . . . . 4852 1 31 . 1 1 6 6 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 4852 1 32 . 1 1 6 6 ALA HB1 H 1 1.30 0.02 . 1 . . . . . . . . 4852 1 33 . 1 1 6 6 ALA HB2 H 1 1.30 0.02 . 1 . . . . . . . . 4852 1 34 . 1 1 6 6 ALA HB3 H 1 1.30 0.02 . 1 . . . . . . . . 4852 1 35 . 1 1 6 6 ALA N N 15 127.4 0.2 . 1 . . . . . . . . 4852 1 36 . 1 1 7 7 SER H H 1 8.17 0.02 . 1 . . . . . . . . 4852 1 37 . 1 1 7 7 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4852 1 38 . 1 1 7 7 SER HB2 H 1 3.80 0.02 . 1 . . . . . . . . 4852 1 39 . 1 1 7 7 SER HB3 H 1 3.80 0.02 . 1 . . . . . . . . 4852 1 40 . 1 1 7 7 SER N N 15 118.1 0.2 . 1 . . . . . . . . 4852 1 41 . 1 1 8 8 TRP H H 1 7.86 0.02 . 1 . . . . . . . . 4852 1 42 . 1 1 8 8 TRP HA H 1 4.56 0.02 . 1 . . . . . . . . 4852 1 43 . 1 1 8 8 TRP HB2 H 1 3.17 0.02 . 1 . . . . . . . . 4852 1 44 . 1 1 8 8 TRP HB3 H 1 3.17 0.02 . 1 . . . . . . . . 4852 1 45 . 1 1 8 8 TRP HD1 H 1 7.17 0.02 . 1 . . . . . . . . 4852 1 46 . 1 1 8 8 TRP HE1 H 1 10.01 0.02 . 1 . . . . . . . . 4852 1 47 . 1 1 8 8 TRP HE3 H 1 7.51 0.02 . 1 . . . . . . . . 4852 1 48 . 1 1 8 8 TRP HZ2 H 1 7.38 0.02 . 1 . . . . . . . . 4852 1 49 . 1 1 8 8 TRP HZ3 H 1 7.06 0.02 . 1 . . . . . . . . 4852 1 50 . 1 1 8 8 TRP HH2 H 1 7.14 0.02 . 1 . . . . . . . . 4852 1 51 . 1 1 8 8 TRP N N 15 126.0 0.2 . 1 . . . . . . . . 4852 1 52 . 1 1 8 8 TRP NE1 N 15 133.1 0.2 . 1 . . . . . . . . 4852 1 53 . 1 1 9 9 HIS H H 1 7.92 0.02 . 1 . . . . . . . . 4852 1 54 . 1 1 9 9 HIS HA H 1 4.47 0.02 . 1 . . . . . . . . 4852 1 55 . 1 1 9 9 HIS HB2 H 1 2.89 0.02 . 1 . . . . . . . . 4852 1 56 . 1 1 9 9 HIS HB3 H 1 3.05 0.02 . 1 . . . . . . . . 4852 1 57 . 1 1 9 9 HIS HD2 H 1 7.06 0.02 . 1 . . . . . . . . 4852 1 58 . 1 1 9 9 HIS HE1 H 1 8.54 0.02 . 1 . . . . . . . . 4852 1 59 . 1 1 9 9 HIS N N 15 124.3 0.2 . 1 . . . . . . . . 4852 1 60 . 1 1 10 10 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 4852 1 61 . 1 1 10 10 ARG HA H 1 4.23 0.02 . 1 . . . . . . . . 4852 1 62 . 1 1 10 10 ARG HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4852 1 63 . 1 1 10 10 ARG HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4852 1 64 . 1 1 10 10 ARG HG2 H 1 1.41 0.02 . 2 . . . . . . . . 4852 1 65 . 1 1 10 10 ARG HG3 H 1 1.53 0.02 . 2 . . . . . . . . 4852 1 66 . 1 1 10 10 ARG HD2 H 1 3.07 0.02 . 1 . . . . . . . . 4852 1 67 . 1 1 10 10 ARG HD3 H 1 3.07 0.02 . 1 . . . . . . . . 4852 1 68 . 1 1 10 10 ARG HE H 1 7.13 0.02 . 1 . . . . . . . . 4852 1 69 . 1 1 10 10 ARG N N 15 127.0 0.2 . 1 . . . . . . . . 4852 1 70 . 1 1 11 11 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 4852 1 71 . 1 1 11 11 PRO HB2 H 1 2.20 0.02 . 1 . . . . . . . . 4852 1 72 . 1 1 11 11 PRO HB3 H 1 2.20 0.02 . 1 . . . . . . . . 4852 1 73 . 1 1 11 11 PRO HG2 H 1 1.92 0.02 . 2 . . . . . . . . 4852 1 74 . 1 1 11 11 PRO HG3 H 1 1.96 0.02 . 2 . . . . . . . . 4852 1 75 . 1 1 11 11 PRO HD2 H 1 3.56 0.02 . 2 . . . . . . . . 4852 1 76 . 1 1 11 11 PRO HD3 H 1 3.69 0.02 . 2 . . . . . . . . 4852 1 77 . 1 1 12 12 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 4852 1 78 . 1 1 12 12 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 4852 1 79 . 1 1 12 12 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4852 1 80 . 1 1 12 12 ASP HB3 H 1 2.80 0.02 . 2 . . . . . . . . 4852 1 81 . 1 1 12 12 ASP N N 15 124.1 0.02 . 1 . . . . . . . . 4852 1 82 . 1 1 13 13 LYS H H 1 8.02 0.02 . 1 . . . . . . . . 4852 1 83 . 1 1 13 13 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . 4852 1 84 . 1 1 13 13 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4852 1 85 . 1 1 13 13 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4852 1 86 . 1 1 13 13 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 4852 1 87 . 1 1 13 13 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 4852 1 88 . 1 1 13 13 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 4852 1 89 . 1 1 13 13 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 4852 1 90 . 1 1 13 13 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 4852 1 91 . 1 1 13 13 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 4852 1 92 . 1 1 13 13 LYS N N 15 125.2 0.2 . 1 . . . . . . . . 4852 1 93 . 1 1 14 14 CYS H H 1 8.20 0.02 . 1 . . . . . . . . 4852 1 94 . 1 1 14 14 CYS HA H 1 5.05 0.02 . 1 . . . . . . . . 4852 1 95 . 1 1 14 14 CYS HB2 H 1 3.46 0.02 . 1 . . . . . . . . 4852 1 96 . 1 1 14 14 CYS HB3 H 1 2.66 0.02 . 1 . . . . . . . . 4852 1 97 . 1 1 14 14 CYS N N 15 119.0 0.2 . 1 . . . . . . . . 4852 1 98 . 1 1 15 15 CYS H H 1 8.85 0.02 . 1 . . . . . . . . 4852 1 99 . 1 1 15 15 CYS HA H 1 4.68 0.02 . 1 . . . . . . . . 4852 1 100 . 1 1 15 15 CYS HB2 H 1 2.64 0.02 . 1 . . . . . . . . 4852 1 101 . 1 1 15 15 CYS HB3 H 1 2.64 0.02 . 1 . . . . . . . . 4852 1 102 . 1 1 16 16 LEU H H 1 8.76 0.02 . 1 . . . . . . . . 4852 1 103 . 1 1 16 16 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 4852 1 104 . 1 1 16 16 LEU HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4852 1 105 . 1 1 16 16 LEU HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4852 1 106 . 1 1 16 16 LEU HG H 1 1.58 0.02 . 4 . . . . . . . . 4852 1 107 . 1 1 16 16 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4852 1 108 . 1 1 16 16 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4852 1 109 . 1 1 16 16 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4852 1 110 . 1 1 16 16 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 4852 1 111 . 1 1 16 16 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 4852 1 112 . 1 1 16 16 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 4852 1 113 . 1 1 16 16 LEU N N 15 127.5 0.2 . 1 . . . . . . . . 4852 1 114 . 1 1 17 17 GLY H H 1 7.34 0.02 . 1 . . . . . . . . 4852 1 115 . 1 1 17 17 GLY HA2 H 1 3.70 0.02 . 1 . . . . . . . . 4852 1 116 . 1 1 17 17 GLY HA3 H 1 3.70 0.02 . 1 . . . . . . . . 4852 1 117 . 1 1 17 17 GLY N N 15 110.5 0.2 . 1 . . . . . . . . 4852 1 118 . 1 1 18 18 TYR H H 1 8.13 0.02 . 1 . . . . . . . . 4852 1 119 . 1 1 18 18 TYR HA H 1 4.85 0.02 . 1 . . . . . . . . 4852 1 120 . 1 1 18 18 TYR HB2 H 1 3.13 0.02 . 1 . . . . . . . . 4852 1 121 . 1 1 18 18 TYR HB3 H 1 2.70 0.02 . 1 . . . . . . . . 4852 1 122 . 1 1 18 18 TYR HD1 H 1 6.85 0.02 . 1 . . . . . . . . 4852 1 123 . 1 1 18 18 TYR HD2 H 1 6.85 0.02 . 1 . . . . . . . . 4852 1 124 . 1 1 18 18 TYR HE1 H 1 6.69 0.02 . 1 . . . . . . . . 4852 1 125 . 1 1 18 18 TYR HE2 H 1 6.69 0.02 . 1 . . . . . . . . 4852 1 126 . 1 1 18 18 TYR N N 15 120.6 0.2 . 1 . . . . . . . . 4852 1 127 . 1 1 19 19 GLN H H 1 8.84 0.02 . 1 . . . . . . . . 4852 1 128 . 1 1 19 19 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 4852 1 129 . 1 1 19 19 GLN HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4852 1 130 . 1 1 19 19 GLN HB3 H 1 2.46 0.02 . 1 . . . . . . . . 4852 1 131 . 1 1 19 19 GLN HG2 H 1 2.63 0.02 . 1 . . . . . . . . 4852 1 132 . 1 1 19 19 GLN HG3 H 1 2.63 0.02 . 1 . . . . . . . . 4852 1 133 . 1 1 19 19 GLN HE21 H 1 6.89 0.02 . 2 . . . . . . . . 4852 1 134 . 1 1 19 19 GLN HE22 H 1 8.29 0.02 . 2 . . . . . . . . 4852 1 135 . 1 1 19 19 GLN N N 15 127.4 0.2 . 1 . . . . . . . . 4852 1 136 . 1 1 19 19 GLN NE2 N 15 116.6 0.2 . 1 . . . . . . . . 4852 1 137 . 1 1 20 20 LYS H H 1 8.71 0.02 . 1 . . . . . . . . 4852 1 138 . 1 1 20 20 LYS HA H 1 4.48 0.02 . 1 . . . . . . . . 4852 1 139 . 1 1 20 20 LYS HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4852 1 140 . 1 1 20 20 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4852 1 141 . 1 1 20 20 LYS HG2 H 1 1.52 0.02 . 2 . . . . . . . . 4852 1 142 . 1 1 20 20 LYS HG3 H 1 1.64 0.02 . 2 . . . . . . . . 4852 1 143 . 1 1 20 20 LYS HD2 H 1 1.78 0.02 . 1 . . . . . . . . 4852 1 144 . 1 1 20 20 LYS HD3 H 1 1.78 0.02 . 1 . . . . . . . . 4852 1 145 . 1 1 20 20 LYS HE2 H 1 3.09 0.02 . 1 . . . . . . . . 4852 1 146 . 1 1 20 20 LYS HE3 H 1 3.09 0.02 . 1 . . . . . . . . 4852 1 147 . 1 1 20 20 LYS N N 15 132.1 0.2 . 1 . . . . . . . . 4852 1 148 . 1 1 21 21 ARG H H 1 7.69 0.02 . 1 . . . . . . . . 4852 1 149 . 1 1 21 21 ARG HA H 1 4.42 0.02 . 1 . . . . . . . . 4852 1 150 . 1 1 21 21 ARG HB2 H 1 1.56 0.02 . 4 . . . . . . . . 4852 1 151 . 1 1 21 21 ARG HB3 H 1 1.56 0.02 . 4 . . . . . . . . 4852 1 152 . 1 1 21 21 ARG HG2 H 1 1.56 0.02 . 4 . . . . . . . . 4852 1 153 . 1 1 21 21 ARG HG3 H 1 1.56 0.02 . 4 . . . . . . . . 4852 1 154 . 1 1 21 21 ARG HD2 H 1 3.12 0.02 . 1 . . . . . . . . 4852 1 155 . 1 1 21 21 ARG HD3 H 1 3.12 0.02 . 1 . . . . . . . . 4852 1 156 . 1 1 21 21 ARG HE H 1 7.13 0.02 . 1 . . . . . . . . 4852 1 157 . 1 1 21 21 ARG N N 15 124.1 0.02 . 1 . . . . . . . . 4852 1 158 . 1 1 22 22 PRO HA H 1 1.84 0.02 . 1 . . . . . . . . 4852 1 159 . 1 1 22 22 PRO HB2 H 1 1.06 0.02 . 2 . . . . . . . . 4852 1 160 . 1 1 22 22 PRO HB3 H 1 1.10 0.02 . 2 . . . . . . . . 4852 1 161 . 1 1 22 22 PRO HG2 H 1 0.59 0.02 . 2 . . . . . . . . 4852 1 162 . 1 1 22 22 PRO HG3 H 1 1.58 0.02 . 2 . . . . . . . . 4852 1 163 . 1 1 22 22 PRO HD2 H 1 3.12 0.02 . 2 . . . . . . . . 4852 1 164 . 1 1 22 22 PRO HD3 H 1 3.46 0.02 . 2 . . . . . . . . 4852 1 165 . 1 1 23 23 LEU H H 1 5.38 0.02 . 1 . . . . . . . . 4852 1 166 . 1 1 23 23 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 4852 1 167 . 1 1 23 23 LEU HB2 H 1 1.11 0.02 . 1 . . . . . . . . 4852 1 168 . 1 1 23 23 LEU HB3 H 1 1.37 0.02 . 1 . . . . . . . . 4852 1 169 . 1 1 23 23 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 4852 1 170 . 1 1 23 23 LEU HD11 H 1 0.82 0.02 . 1 . . . . . . . . 4852 1 171 . 1 1 23 23 LEU HD12 H 1 0.82 0.02 . 1 . . . . . . . . 4852 1 172 . 1 1 23 23 LEU HD13 H 1 0.82 0.02 . 1 . . . . . . . . 4852 1 173 . 1 1 23 23 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 4852 1 174 . 1 1 23 23 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 4852 1 175 . 1 1 23 23 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 4852 1 176 . 1 1 24 24 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4852 1 177 . 1 1 24 24 PRO HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4852 1 178 . 1 1 24 24 PRO HB3 H 1 2.27 0.02 . 1 . . . . . . . . 4852 1 179 . 1 1 24 24 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 4852 1 180 . 1 1 24 24 PRO HG3 H 1 2.03 0.02 . 2 . . . . . . . . 4852 1 181 . 1 1 24 24 PRO HD2 H 1 3.44 0.02 . 2 . . . . . . . . 4852 1 182 . 1 1 24 24 PRO HD3 H 1 3.74 0.02 . 2 . . . . . . . . 4852 1 183 . 1 1 25 25 GLN H H 1 8.61 0.02 . 1 . . . . . . . . 4852 1 184 . 1 1 25 25 GLN HA H 1 3.56 0.02 . 1 . . . . . . . . 4852 1 185 . 1 1 25 25 GLN HB2 H 1 1.95 0.02 . 1 . . . . . . . . 4852 1 186 . 1 1 25 25 GLN HB3 H 1 2.10 0.02 . 1 . . . . . . . . 4852 1 187 . 1 1 25 25 GLN HG2 H 1 2.26 0.02 . 2 . . . . . . . . 4852 1 188 . 1 1 25 25 GLN HG3 H 1 2.30 0.02 . 2 . . . . . . . . 4852 1 189 . 1 1 25 25 GLN N N 15 127.2 0.2 . 1 . . . . . . . . 4852 1 190 . 1 1 25 25 GLN NE2 N 15 113.8 0.2 . 1 . . . . . . . . 4852 1 191 . 1 1 26 26 VAL H H 1 7.73 0.02 . 1 . . . . . . . . 4852 1 192 . 1 1 26 26 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 4852 1 193 . 1 1 26 26 VAL HB H 1 2.27 0.02 . 1 . . . . . . . . 4852 1 194 . 1 1 26 26 VAL HG11 H 1 0.96 0.02 . 1 . . . . . . . . 4852 1 195 . 1 1 26 26 VAL HG12 H 1 0.96 0.02 . 1 . . . . . . . . 4852 1 196 . 1 1 26 26 VAL HG13 H 1 0.96 0.02 . 1 . . . . . . . . 4852 1 197 . 1 1 26 26 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . 4852 1 198 . 1 1 26 26 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . 4852 1 199 . 1 1 26 26 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . 4852 1 200 . 1 1 26 26 VAL N N 15 115.8 0.2 . 1 . . . . . . . . 4852 1 201 . 1 1 27 27 LEU H H 1 7.37 0.02 . 1 . . . . . . . . 4852 1 202 . 1 1 27 27 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 4852 1 203 . 1 1 27 27 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4852 1 204 . 1 1 27 27 LEU HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4852 1 205 . 1 1 27 27 LEU HG H 1 1.74 0.02 . 4 . . . . . . . . 4852 1 206 . 1 1 27 27 LEU HD11 H 1 0.91 0.02 . 1 . . . . . . . . 4852 1 207 . 1 1 27 27 LEU HD12 H 1 0.91 0.02 . 1 . . . . . . . . 4852 1 208 . 1 1 27 27 LEU HD13 H 1 0.91 0.02 . 1 . . . . . . . . 4852 1 209 . 1 1 27 27 LEU HD21 H 1 0.94 0.02 . 1 . . . . . . . . 4852 1 210 . 1 1 27 27 LEU HD22 H 1 0.94 0.02 . 1 . . . . . . . . 4852 1 211 . 1 1 27 27 LEU HD23 H 1 0.94 0.02 . 1 . . . . . . . . 4852 1 212 . 1 1 27 27 LEU N N 15 122.4 0.2 . 1 . . . . . . . . 4852 1 213 . 1 1 28 28 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 4852 1 214 . 1 1 28 28 LEU HA H 1 4.82 0.02 . 1 . . . . . . . . 4852 1 215 . 1 1 28 28 LEU HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4852 1 216 . 1 1 28 28 LEU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4852 1 217 . 1 1 28 28 LEU HG H 1 1.78 0.02 . 1 . . . . . . . . 4852 1 218 . 1 1 28 28 LEU HD11 H 1 0.41 0.02 . 1 . . . . . . . . 4852 1 219 . 1 1 28 28 LEU HD12 H 1 0.41 0.02 . 1 . . . . . . . . 4852 1 220 . 1 1 28 28 LEU HD13 H 1 0.41 0.02 . 1 . . . . . . . . 4852 1 221 . 1 1 28 28 LEU HD21 H 1 0.65 0.02 . 1 . . . . . . . . 4852 1 222 . 1 1 28 28 LEU HD22 H 1 0.65 0.02 . 1 . . . . . . . . 4852 1 223 . 1 1 28 28 LEU HD23 H 1 0.65 0.02 . 1 . . . . . . . . 4852 1 224 . 1 1 28 28 LEU N N 15 123.7 0.2 . 1 . . . . . . . . 4852 1 225 . 1 1 29 29 SER H H 1 9.16 0.02 . 1 . . . . . . . . 4852 1 226 . 1 1 29 29 SER HA H 1 4.78 0.02 . 1 . . . . . . . . 4852 1 227 . 1 1 29 29 SER HB2 H 1 3.58 0.02 . 2 . . . . . . . . 4852 1 228 . 1 1 29 29 SER HB3 H 1 3.72 0.02 . 2 . . . . . . . . 4852 1 229 . 1 1 29 29 SER N N 15 116.5 0.2 . 1 . . . . . . . . 4852 1 230 . 1 1 30 30 SER H H 1 7.87 0.02 . 1 . . . . . . . . 4852 1 231 . 1 1 30 30 SER HA H 1 5.14 0.02 . 1 . . . . . . . . 4852 1 232 . 1 1 30 30 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 4852 1 233 . 1 1 30 30 SER HB3 H 1 4.06 0.02 . 2 . . . . . . . . 4852 1 234 . 1 1 30 30 SER N N 15 114.6 0.2 . 1 . . . . . . . . 4852 1 235 . 1 1 31 31 TRP H H 1 8.37 0.02 . 1 . . . . . . . . 4852 1 236 . 1 1 31 31 TRP HA H 1 5.89 0.02 . 1 . . . . . . . . 4852 1 237 . 1 1 31 31 TRP HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4852 1 238 . 1 1 31 31 TRP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4852 1 239 . 1 1 31 31 TRP HD1 H 1 6.83 0.02 . 4 . . . . . . . . 4852 1 240 . 1 1 31 31 TRP HE1 H 1 9.60 0.02 . 1 . . . . . . . . 4852 1 241 . 1 1 31 31 TRP HE3 H 1 6.83 0.02 . 4 . . . . . . . . 4852 1 242 . 1 1 31 31 TRP HZ2 H 1 7.43 0.02 . 1 . . . . . . . . 4852 1 243 . 1 1 31 31 TRP HZ3 H 1 6.70 0.02 . 1 . . . . . . . . 4852 1 244 . 1 1 31 31 TRP HH2 H 1 7.07 0.02 . 1 . . . . . . . . 4852 1 245 . 1 1 31 31 TRP N N 15 120.6 0.2 . 1 . . . . . . . . 4852 1 246 . 1 1 31 31 TRP NE1 N 15 134.7 0.2 . 1 . . . . . . . . 4852 1 247 . 1 1 32 32 TYR H H 1 8.90 0.02 . 1 . . . . . . . . 4852 1 248 . 1 1 32 32 TYR HA H 1 4.58 0.02 . 1 . . . . . . . . 4852 1 249 . 1 1 32 32 TYR HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4852 1 250 . 1 1 32 32 TYR HB3 H 1 3.03 0.02 . 2 . . . . . . . . 4852 1 251 . 1 1 32 32 TYR HD1 H 1 7.01 0.02 . 1 . . . . . . . . 4852 1 252 . 1 1 32 32 TYR HD2 H 1 7.01 0.02 . 1 . . . . . . . . 4852 1 253 . 1 1 32 32 TYR HE1 H 1 6.58 0.02 . 1 . . . . . . . . 4852 1 254 . 1 1 32 32 TYR HE2 H 1 6.58 0.02 . 1 . . . . . . . . 4852 1 255 . 1 1 32 32 TYR N N 15 117.6 0.2 . 1 . . . . . . . . 4852 1 256 . 1 1 33 33 PRO HA H 1 5.10 0.02 . 1 . . . . . . . . 4852 1 257 . 1 1 33 33 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4852 1 258 . 1 1 33 33 PRO HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4852 1 259 . 1 1 33 33 PRO HG2 H 1 2.19 0.02 . 1 . . . . . . . . 4852 1 260 . 1 1 33 33 PRO HG3 H 1 2.19 0.02 . 1 . . . . . . . . 4852 1 261 . 1 1 33 33 PRO HD2 H 1 3.50 0.02 . 2 . . . . . . . . 4852 1 262 . 1 1 33 33 PRO HD3 H 1 3.66 0.02 . 2 . . . . . . . . 4852 1 263 . 1 1 34 34 THR H H 1 7.77 0.02 . 1 . . . . . . . . 4852 1 264 . 1 1 34 34 THR HA H 1 4.50 0.02 . 1 . . . . . . . . 4852 1 265 . 1 1 34 34 THR HB H 1 4.90 0.02 . 1 . . . . . . . . 4852 1 266 . 1 1 34 34 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 4852 1 267 . 1 1 34 34 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 4852 1 268 . 1 1 34 34 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 4852 1 269 . 1 1 34 34 THR N N 15 112.6 0.2 . 1 . . . . . . . . 4852 1 270 . 1 1 35 35 SER H H 1 8.69 0.02 . 1 . . . . . . . . 4852 1 271 . 1 1 35 35 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4852 1 272 . 1 1 35 35 SER HB2 H 1 3.96 0.02 . 1 . . . . . . . . 4852 1 273 . 1 1 35 35 SER HB3 H 1 4.12 0.02 . 1 . . . . . . . . 4852 1 274 . 1 1 35 35 SER N N 15 118.6 0.2 . 1 . . . . . . . . 4852 1 275 . 1 1 36 36 GLN H H 1 9.01 0.02 . 1 . . . . . . . . 4852 1 276 . 1 1 36 36 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 4852 1 277 . 1 1 36 36 GLN HB2 H 1 2.10 0.02 . 1 . . . . . . . . 4852 1 278 . 1 1 36 36 GLN HB3 H 1 2.19 0.02 . 1 . . . . . . . . 4852 1 279 . 1 1 36 36 GLN HG2 H 1 2.45 0.02 . 2 . . . . . . . . 4852 1 280 . 1 1 36 36 GLN HG3 H 1 2.49 0.02 . 2 . . . . . . . . 4852 1 281 . 1 1 36 36 GLN N N 15 130.2 0.02 . 1 . . . . . . . . 4852 1 282 . 1 1 36 36 GLN NE2 N 15 113.8 0.2 . 1 . . . . . . . . 4852 1 283 . 1 1 37 37 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 4852 1 284 . 1 1 37 37 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4852 1 285 . 1 1 37 37 LEU HB2 H 1 1.58 0.02 . 4 . . . . . . . . 4852 1 286 . 1 1 37 37 LEU HB3 H 1 1.58 0.02 . 4 . . . . . . . . 4852 1 287 . 1 1 37 37 LEU HG H 1 1.58 0.02 . 4 . . . . . . . . 4852 1 288 . 1 1 37 37 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 4852 1 289 . 1 1 37 37 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 4852 1 290 . 1 1 37 37 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 4852 1 291 . 1 1 37 37 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 4852 1 292 . 1 1 37 37 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 4852 1 293 . 1 1 37 37 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 4852 1 294 . 1 1 37 37 LEU N N 15 121.9 0.2 . 1 . . . . . . . . 4852 1 295 . 1 1 38 38 CYS H H 1 7.35 0.02 . 1 . . . . . . . . 4852 1 296 . 1 1 38 38 CYS HA H 1 4.60 0.02 . 1 . . . . . . . . 4852 1 297 . 1 1 38 38 CYS HB2 H 1 3.43 0.02 . 1 . . . . . . . . 4852 1 298 . 1 1 38 38 CYS HB3 H 1 2.73 0.02 . 1 . . . . . . . . 4852 1 299 . 1 1 38 38 CYS N N 15 121.8 0.02 . 1 . . . . . . . . 4852 1 300 . 1 1 39 39 SER H H 1 8.61 0.02 . 1 . . . . . . . . 4852 1 301 . 1 1 39 39 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 4852 1 302 . 1 1 39 39 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 4852 1 303 . 1 1 39 39 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . 4852 1 304 . 1 1 39 39 SER N N 15 122.1 0.02 . 1 . . . . . . . . 4852 1 305 . 1 1 40 40 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 4852 1 306 . 1 1 40 40 LYS HA H 1 4.74 0.02 . 1 . . . . . . . . 4852 1 307 . 1 1 40 40 LYS HB2 H 1 1.68 0.02 . 1 . . . . . . . . 4852 1 308 . 1 1 40 40 LYS HB3 H 1 1.68 0.02 . 1 . . . . . . . . 4852 1 309 . 1 1 40 40 LYS HG2 H 1 1.29 0.02 . 2 . . . . . . . . 4852 1 310 . 1 1 40 40 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 4852 1 311 . 1 1 40 40 LYS HD2 H 1 1.44 0.02 . 1 . . . . . . . . 4852 1 312 . 1 1 40 40 LYS HD3 H 1 1.44 0.02 . 1 . . . . . . . . 4852 1 313 . 1 1 40 40 LYS HE2 H 1 2.82 0.02 . 1 . . . . . . . . 4852 1 314 . 1 1 40 40 LYS HE3 H 1 2.82 0.02 . 1 . . . . . . . . 4852 1 315 . 1 1 40 40 LYS HZ1 H 1 7.63 0.02 . 1 . . . . . . . . 4852 1 316 . 1 1 40 40 LYS HZ2 H 1 7.63 0.02 . 1 . . . . . . . . 4852 1 317 . 1 1 40 40 LYS HZ3 H 1 7.63 0.02 . 1 . . . . . . . . 4852 1 318 . 1 1 40 40 LYS N N 15 123.9 0.2 . 1 . . . . . . . . 4852 1 319 . 1 1 41 41 PRO HA H 1 4.58 0.02 . 1 . . . . . . . . 4852 1 320 . 1 1 41 41 PRO HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4852 1 321 . 1 1 41 41 PRO HB3 H 1 2.26 0.02 . 2 . . . . . . . . 4852 1 322 . 1 1 41 41 PRO HG2 H 1 2.04 0.02 . 1 . . . . . . . . 4852 1 323 . 1 1 41 41 PRO HG3 H 1 2.04 0.02 . 1 . . . . . . . . 4852 1 324 . 1 1 41 41 PRO HD2 H 1 3.60 0.02 . 2 . . . . . . . . 4852 1 325 . 1 1 41 41 PRO HD3 H 1 3.74 0.02 . 2 . . . . . . . . 4852 1 326 . 1 1 42 42 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 4852 1 327 . 1 1 42 42 GLY HA2 H 1 4.16 0.02 . 1 . . . . . . . . 4852 1 328 . 1 1 42 42 GLY HA3 H 1 4.59 0.02 . 1 . . . . . . . . 4852 1 329 . 1 1 42 42 GLY N N 15 113.1 0.02 . 1 . . . . . . . . 4852 1 330 . 1 1 43 43 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 4852 1 331 . 1 1 43 43 VAL HA H 1 4.64 0.02 . 1 . . . . . . . . 4852 1 332 . 1 1 43 43 VAL HB H 1 1.62 0.02 . 1 . . . . . . . . 4852 1 333 . 1 1 43 43 VAL HG11 H 1 0.34 0.02 . 1 . . . . . . . . 4852 1 334 . 1 1 43 43 VAL HG12 H 1 0.34 0.02 . 1 . . . . . . . . 4852 1 335 . 1 1 43 43 VAL HG13 H 1 0.34 0.02 . 1 . . . . . . . . 4852 1 336 . 1 1 43 43 VAL HG21 H 1 0.45 0.02 . 1 . . . . . . . . 4852 1 337 . 1 1 43 43 VAL HG22 H 1 0.45 0.02 . 1 . . . . . . . . 4852 1 338 . 1 1 43 43 VAL HG23 H 1 0.45 0.02 . 1 . . . . . . . . 4852 1 339 . 1 1 43 43 VAL N N 15 123.3 0.02 . 1 . . . . . . . . 4852 1 340 . 1 1 44 44 ILE H H 1 8.83 0.02 . 1 . . . . . . . . 4852 1 341 . 1 1 44 44 ILE HA H 1 4.55 0.02 . 1 . . . . . . . . 4852 1 342 . 1 1 44 44 ILE HB H 1 1.74 0.02 . 1 . . . . . . . . 4852 1 343 . 1 1 44 44 ILE HG12 H 1 1.52 0.02 . 2 . . . . . . . . 4852 1 344 . 1 1 44 44 ILE HG13 H 1 1.89 0.02 . 2 . . . . . . . . 4852 1 345 . 1 1 44 44 ILE HG21 H 1 0.76 0.02 . 1 . . . . . . . . 4852 1 346 . 1 1 44 44 ILE HG22 H 1 0.76 0.02 . 1 . . . . . . . . 4852 1 347 . 1 1 44 44 ILE HG23 H 1 0.76 0.02 . 1 . . . . . . . . 4852 1 348 . 1 1 44 44 ILE HD11 H 1 0.62 0.02 . 1 . . . . . . . . 4852 1 349 . 1 1 44 44 ILE HD12 H 1 0.62 0.02 . 1 . . . . . . . . 4852 1 350 . 1 1 44 44 ILE HD13 H 1 0.62 0.02 . 1 . . . . . . . . 4852 1 351 . 1 1 44 44 ILE N N 15 127.8 0.02 . 1 . . . . . . . . 4852 1 352 . 1 1 45 45 PHE H H 1 9.11 0.02 . 1 . . . . . . . . 4852 1 353 . 1 1 45 45 PHE HA H 1 5.23 0.02 . 1 . . . . . . . . 4852 1 354 . 1 1 45 45 PHE HB2 H 1 2.98 0.02 . 1 . . . . . . . . 4852 1 355 . 1 1 45 45 PHE HB3 H 1 2.77 0.02 . 1 . . . . . . . . 4852 1 356 . 1 1 45 45 PHE HD1 H 1 7.08 0.02 . 1 . . . . . . . . 4852 1 357 . 1 1 45 45 PHE HD2 H 1 7.08 0.02 . 1 . . . . . . . . 4852 1 358 . 1 1 45 45 PHE HE1 H 1 6.68 0.02 . 1 . . . . . . . . 4852 1 359 . 1 1 45 45 PHE HE2 H 1 6.68 0.02 . 1 . . . . . . . . 4852 1 360 . 1 1 45 45 PHE HZ H 1 6.83 0.02 . 1 . . . . . . . . 4852 1 361 . 1 1 45 45 PHE N N 15 126.5 0.02 . 1 . . . . . . . . 4852 1 362 . 1 1 46 46 LEU H H 1 8.94 0.02 . 1 . . . . . . . . 4852 1 363 . 1 1 46 46 LEU HA H 1 5.38 0.02 . 1 . . . . . . . . 4852 1 364 . 1 1 46 46 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 4852 1 365 . 1 1 46 46 LEU HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4852 1 366 . 1 1 46 46 LEU HG H 1 1.70 0.02 . 1 . . . . . . . . 4852 1 367 . 1 1 46 46 LEU HD11 H 1 0.60 0.02 . 1 . . . . . . . . 4852 1 368 . 1 1 46 46 LEU HD12 H 1 0.60 0.02 . 1 . . . . . . . . 4852 1 369 . 1 1 46 46 LEU HD13 H 1 0.60 0.02 . 1 . . . . . . . . 4852 1 370 . 1 1 46 46 LEU HD21 H 1 0.92 0.02 . 1 . . . . . . . . 4852 1 371 . 1 1 46 46 LEU HD22 H 1 0.92 0.02 . 1 . . . . . . . . 4852 1 372 . 1 1 46 46 LEU HD23 H 1 0.92 0.02 . 1 . . . . . . . . 4852 1 373 . 1 1 46 46 LEU N N 15 127.0 0.2 . 1 . . . . . . . . 4852 1 374 . 1 1 47 47 THR H H 1 9.35 0.02 . 1 . . . . . . . . 4852 1 375 . 1 1 47 47 THR HA H 1 5.00 0.02 . 1 . . . . . . . . 4852 1 376 . 1 1 47 47 THR HB H 1 4.88 0.02 . 1 . . . . . . . . 4852 1 377 . 1 1 47 47 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4852 1 378 . 1 1 47 47 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4852 1 379 . 1 1 47 47 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4852 1 380 . 1 1 47 47 THR HG1 H 1 6.21 0.02 . 1 . . . . . . . . 4852 1 381 . 1 1 47 47 THR N N 15 118.5 0.2 . 1 . . . . . . . . 4852 1 382 . 1 1 48 48 LYS H H 1 8.74 0.02 . 1 . . . . . . . . 4852 1 383 . 1 1 48 48 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 4852 1 384 . 1 1 48 48 LYS HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4852 1 385 . 1 1 48 48 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4852 1 386 . 1 1 48 48 LYS HG2 H 1 1.23 0.02 . 2 . . . . . . . . 4852 1 387 . 1 1 48 48 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 4852 1 388 . 1 1 48 48 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 4852 1 389 . 1 1 48 48 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 4852 1 390 . 1 1 48 48 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4852 1 391 . 1 1 48 48 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4852 1 392 . 1 1 48 48 LYS HZ1 H 1 7.45 0.02 . 1 . . . . . . . . 4852 1 393 . 1 1 48 48 LYS HZ2 H 1 7.45 0.02 . 1 . . . . . . . . 4852 1 394 . 1 1 48 48 LYS HZ3 H 1 7.45 0.02 . 1 . . . . . . . . 4852 1 395 . 1 1 48 48 LYS N N 15 125.2 0.2 . 1 . . . . . . . . 4852 1 396 . 1 1 49 49 ARG H H 1 7.49 0.02 . 1 . . . . . . . . 4852 1 397 . 1 1 49 49 ARG HA H 1 4.50 0.02 . 1 . . . . . . . . 4852 1 398 . 1 1 49 49 ARG HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4852 1 399 . 1 1 49 49 ARG HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4852 1 400 . 1 1 49 49 ARG HG2 H 1 1.75 0.02 . 1 . . . . . . . . 4852 1 401 . 1 1 49 49 ARG HG3 H 1 1.75 0.02 . 1 . . . . . . . . 4852 1 402 . 1 1 49 49 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4852 1 403 . 1 1 49 49 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 4852 1 404 . 1 1 49 49 ARG HE H 1 7.18 0.02 . 1 . . . . . . . . 4852 1 405 . 1 1 49 49 ARG N N 15 118.6 0.2 . 1 . . . . . . . . 4852 1 406 . 1 1 50 50 GLY H H 1 7.98 0.02 . 1 . . . . . . . . 4852 1 407 . 1 1 50 50 GLY HA2 H 1 3.66 0.02 . 2 . . . . . . . . 4852 1 408 . 1 1 50 50 GLY HA3 H 1 4.23 0.02 . 2 . . . . . . . . 4852 1 409 . 1 1 50 50 GLY N N 15 111.96 0.2 . 1 . . . . . . . . 4852 1 410 . 1 1 51 51 ARG H H 1 7.51 0.02 . 1 . . . . . . . . 4852 1 411 . 1 1 51 51 ARG HA H 1 4.54 0.02 . 1 . . . . . . . . 4852 1 412 . 1 1 51 51 ARG HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4852 1 413 . 1 1 51 51 ARG HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4852 1 414 . 1 1 51 51 ARG HG2 H 1 1.50 0.02 . 1 . . . . . . . . 4852 1 415 . 1 1 51 51 ARG HG3 H 1 1.50 0.02 . 1 . . . . . . . . 4852 1 416 . 1 1 51 51 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 4852 1 417 . 1 1 51 51 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 4852 1 418 . 1 1 51 51 ARG HE H 1 7.19 0.02 . 1 . . . . . . . . 4852 1 419 . 1 1 51 51 ARG N N 15 123.5 0.2 . 1 . . . . . . . . 4852 1 420 . 1 1 52 52 GLN H H 1 8.49 0.02 . 1 . . . . . . . . 4852 1 421 . 1 1 52 52 GLN HA H 1 5.25 0.02 . 1 . . . . . . . . 4852 1 422 . 1 1 52 52 GLN HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4852 1 423 . 1 1 52 52 GLN HB3 H 1 1.95 0.02 . 1 . . . . . . . . 4852 1 424 . 1 1 52 52 GLN HG2 H 1 2.21 0.02 . 2 . . . . . . . . 4852 1 425 . 1 1 52 52 GLN HG3 H 1 2.47 0.02 . 2 . . . . . . . . 4852 1 426 . 1 1 52 52 GLN N N 15 124.6 0.2 . 1 . . . . . . . . 4852 1 427 . 1 1 52 52 GLN NE2 N 15 115.7 0.2 . 1 . . . . . . . . 4852 1 428 . 1 1 53 53 VAL H H 1 9.40 0.02 . 1 . . . . . . . . 4852 1 429 . 1 1 53 53 VAL HA H 1 4.44 0.02 . 1 . . . . . . . . 4852 1 430 . 1 1 53 53 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4852 1 431 . 1 1 53 53 VAL HG11 H 1 0.87 0.02 . 1 . . . . . . . . 4852 1 432 . 1 1 53 53 VAL HG12 H 1 0.87 0.02 . 1 . . . . . . . . 4852 1 433 . 1 1 53 53 VAL HG13 H 1 0.87 0.02 . 1 . . . . . . . . 4852 1 434 . 1 1 53 53 VAL HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4852 1 435 . 1 1 53 53 VAL HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4852 1 436 . 1 1 53 53 VAL HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4852 1 437 . 1 1 53 53 VAL N N 15 127.8 0.02 . 1 . . . . . . . . 4852 1 438 . 1 1 54 54 CYS H H 1 8.85 0.02 . 1 . . . . . . . . 4852 1 439 . 1 1 54 54 CYS HA H 1 5.32 0.02 . 1 . . . . . . . . 4852 1 440 . 1 1 54 54 CYS HB2 H 1 3.29 0.02 . 2 . . . . . . . . 4852 1 441 . 1 1 54 54 CYS HB3 H 1 3.42 0.02 . 2 . . . . . . . . 4852 1 442 . 1 1 54 54 CYS N N 15 129.9 0.02 . 1 . . . . . . . . 4852 1 443 . 1 1 55 55 ALA H H 1 9.70 0.02 . 1 . . . . . . . . 4852 1 444 . 1 1 55 55 ALA HA H 1 4.87 0.02 . 1 . . . . . . . . 4852 1 445 . 1 1 55 55 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 4852 1 446 . 1 1 55 55 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 4852 1 447 . 1 1 55 55 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 4852 1 448 . 1 1 55 55 ALA N N 15 129.9 0.02 . 1 . . . . . . . . 4852 1 449 . 1 1 56 56 ASP H H 1 8.23 0.02 . 1 . . . . . . . . 4852 1 450 . 1 1 56 56 ASP HA H 1 3.93 0.02 . 1 . . . . . . . . 4852 1 451 . 1 1 56 56 ASP HB2 H 1 2.38 0.02 . 1 . . . . . . . . 4852 1 452 . 1 1 56 56 ASP HB3 H 1 1.37 0.02 . 1 . . . . . . . . 4852 1 453 . 1 1 56 56 ASP N N 15 123.5 0.2 . 1 . . . . . . . . 4852 1 454 . 1 1 57 57 LYS H H 1 7.69 0.02 . 1 . . . . . . . . 4852 1 455 . 1 1 57 57 LYS HA H 1 3.69 0.02 . 1 . . . . . . . . 4852 1 456 . 1 1 57 57 LYS HB2 H 1 1.40 0.02 . 2 . . . . . . . . 4852 1 457 . 1 1 57 57 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4852 1 458 . 1 1 57 57 LYS HG2 H 1 1.12 0.02 . 1 . . . . . . . . 4852 1 459 . 1 1 57 57 LYS HG3 H 1 1.12 0.02 . 1 . . . . . . . . 4852 1 460 . 1 1 57 57 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 4852 1 461 . 1 1 57 57 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 4852 1 462 . 1 1 57 57 LYS HE2 H 1 2.82 0.02 . 1 . . . . . . . . 4852 1 463 . 1 1 57 57 LYS HE3 H 1 2.82 0.02 . 1 . . . . . . . . 4852 1 464 . 1 1 57 57 LYS HZ1 H 1 7.39 0.02 . 1 . . . . . . . . 4852 1 465 . 1 1 57 57 LYS HZ2 H 1 7.39 0.02 . 1 . . . . . . . . 4852 1 466 . 1 1 57 57 LYS HZ3 H 1 7.39 0.02 . 1 . . . . . . . . 4852 1 467 . 1 1 57 57 LYS N N 15 127.7 0.02 . 1 . . . . . . . . 4852 1 468 . 1 1 58 58 SER H H 1 8.20 0.02 . 1 . . . . . . . . 4852 1 469 . 1 1 58 58 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 4852 1 470 . 1 1 58 58 SER HB2 H 1 3.84 0.02 . 1 . . . . . . . . 4852 1 471 . 1 1 58 58 SER HB3 H 1 3.74 0.02 . 1 . . . . . . . . 4852 1 472 . 1 1 58 58 SER N N 15 116.8 0.02 . 1 . . . . . . . . 4852 1 473 . 1 1 59 59 LYS H H 1 7.23 0.02 . 1 . . . . . . . . 4852 1 474 . 1 1 59 59 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 4852 1 475 . 1 1 59 59 LYS HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4852 1 476 . 1 1 59 59 LYS HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4852 1 477 . 1 1 59 59 LYS HG2 H 1 1.24 0.02 . 1 . . . . . . . . 4852 1 478 . 1 1 59 59 LYS HG3 H 1 1.24 0.02 . 1 . . . . . . . . 4852 1 479 . 1 1 59 59 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 4852 1 480 . 1 1 59 59 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 4852 1 481 . 1 1 59 59 LYS HE2 H 1 2.94 0.02 . 2 . . . . . . . . 4852 1 482 . 1 1 59 59 LYS HE3 H 1 3.10 0.02 . 2 . . . . . . . . 4852 1 483 . 1 1 59 59 LYS N N 15 124.8 0.2 . 1 . . . . . . . . 4852 1 484 . 1 1 60 60 ASP H H 1 9.07 0.02 . 1 . . . . . . . . 4852 1 485 . 1 1 60 60 ASP HA H 1 4.15 0.02 . 1 . . . . . . . . 4852 1 486 . 1 1 60 60 ASP HB2 H 1 2.84 0.02 . 1 . . . . . . . . 4852 1 487 . 1 1 60 60 ASP HB3 H 1 2.89 0.02 . 1 . . . . . . . . 4852 1 488 . 1 1 60 60 ASP N N 15 128.2 0.02 . 1 . . . . . . . . 4852 1 489 . 1 1 61 61 TRP H H 1 8.47 0.02 . 1 . . . . . . . . 4852 1 490 . 1 1 61 61 TRP HA H 1 4.30 0.02 . 1 . . . . . . . . 4852 1 491 . 1 1 61 61 TRP HB2 H 1 3.23 0.02 . 1 . . . . . . . . 4852 1 492 . 1 1 61 61 TRP HB3 H 1 3.48 0.02 . 1 . . . . . . . . 4852 1 493 . 1 1 61 61 TRP HD1 H 1 7.67 0.02 . 1 . . . . . . . . 4852 1 494 . 1 1 61 61 TRP HE1 H 1 10.57 0.02 . 1 . . . . . . . . 4852 1 495 . 1 1 61 61 TRP HE3 H 1 7.32 0.02 . 1 . . . . . . . . 4852 1 496 . 1 1 61 61 TRP HZ2 H 1 7.26 0.02 . 1 . . . . . . . . 4852 1 497 . 1 1 61 61 TRP HZ3 H 1 6.50 0.02 . 1 . . . . . . . . 4852 1 498 . 1 1 61 61 TRP HH2 H 1 6.70 0.02 . 1 . . . . . . . . 4852 1 499 . 1 1 61 61 TRP N N 15 121.1 0.02 . 1 . . . . . . . . 4852 1 500 . 1 1 61 61 TRP NE1 N 15 134.5 0.02 . 1 . . . . . . . . 4852 1 501 . 1 1 62 62 VAL H H 1 5.99 0.02 . 1 . . . . . . . . 4852 1 502 . 1 1 62 62 VAL HA H 1 2.95 0.02 . 1 . . . . . . . . 4852 1 503 . 1 1 62 62 VAL HB H 1 1.73 0.02 . 1 . . . . . . . . 4852 1 504 . 1 1 62 62 VAL HG11 H 1 -0.79 0.02 . 1 . . . . . . . . 4852 1 505 . 1 1 62 62 VAL HG12 H 1 -0.79 0.02 . 1 . . . . . . . . 4852 1 506 . 1 1 62 62 VAL HG13 H 1 -0.79 0.02 . 1 . . . . . . . . 4852 1 507 . 1 1 62 62 VAL HG21 H 1 0.38 0.02 . 1 . . . . . . . . 4852 1 508 . 1 1 62 62 VAL HG22 H 1 0.38 0.02 . 1 . . . . . . . . 4852 1 509 . 1 1 62 62 VAL HG23 H 1 0.38 0.02 . 1 . . . . . . . . 4852 1 510 . 1 1 62 62 VAL N N 15 128.3 0.02 . 1 . . . . . . . . 4852 1 511 . 1 1 63 63 LYS H H 1 7.56 0.02 . 1 . . . . . . . . 4852 1 512 . 1 1 63 63 LYS HA H 1 4.03 0.02 . 1 . . . . . . . . 4852 1 513 . 1 1 63 63 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4852 1 514 . 1 1 63 63 LYS HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4852 1 515 . 1 1 63 63 LYS HG2 H 1 1.24 0.02 . 1 . . . . . . . . 4852 1 516 . 1 1 63 63 LYS HG3 H 1 1.24 0.02 . 1 . . . . . . . . 4852 1 517 . 1 1 63 63 LYS HD2 H 1 1.56 0.02 . 1 . . . . . . . . 4852 1 518 . 1 1 63 63 LYS HD3 H 1 1.56 0.02 . 1 . . . . . . . . 4852 1 519 . 1 1 63 63 LYS HE2 H 1 2.82 0.02 . 1 . . . . . . . . 4852 1 520 . 1 1 63 63 LYS HE3 H 1 2.82 0.02 . 1 . . . . . . . . 4852 1 521 . 1 1 63 63 LYS N N 15 123.3 0.02 . 1 . . . . . . . . 4852 1 522 . 1 1 64 64 LYS H H 1 7.72 0.02 . 1 . . . . . . . . 4852 1 523 . 1 1 64 64 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 4852 1 524 . 1 1 64 64 LYS HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4852 1 525 . 1 1 64 64 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4852 1 526 . 1 1 64 64 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 4852 1 527 . 1 1 64 64 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 4852 1 528 . 1 1 64 64 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 4852 1 529 . 1 1 64 64 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 4852 1 530 . 1 1 64 64 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 4852 1 531 . 1 1 64 64 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 4852 1 532 . 1 1 64 64 LYS N N 15 120.9 0.02 . 1 . . . . . . . . 4852 1 533 . 1 1 65 65 LEU H H 1 7.08 0.02 . 1 . . . . . . . . 4852 1 534 . 1 1 65 65 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 4852 1 535 . 1 1 65 65 LEU HB2 H 1 1.17 0.02 . 2 . . . . . . . . 4852 1 536 . 1 1 65 65 LEU HB3 H 1 2.03 0.02 . 4 . . . . . . . . 4852 1 537 . 1 1 65 65 LEU HG H 1 2.03 0.02 . 4 . . . . . . . . 4852 1 538 . 1 1 65 65 LEU HD11 H 1 0.65 0.02 . 1 . . . . . . . . 4852 1 539 . 1 1 65 65 LEU HD12 H 1 0.65 0.02 . 1 . . . . . . . . 4852 1 540 . 1 1 65 65 LEU HD13 H 1 0.65 0.02 . 1 . . . . . . . . 4852 1 541 . 1 1 65 65 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 4852 1 542 . 1 1 65 65 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 4852 1 543 . 1 1 65 65 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 4852 1 544 . 1 1 65 65 LEU N N 15 123.0 0.2 . 1 . . . . . . . . 4852 1 545 . 1 1 66 66 MET H H 1 7.93 0.02 . 1 . . . . . . . . 4852 1 546 . 1 1 66 66 MET HA H 1 2.92 0.02 . 1 . . . . . . . . 4852 1 547 . 1 1 66 66 MET HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4852 1 548 . 1 1 66 66 MET HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4852 1 549 . 1 1 66 66 MET HG2 H 1 2.00 0.02 . 1 . . . . . . . . 4852 1 550 . 1 1 66 66 MET HG3 H 1 2.00 0.02 . 1 . . . . . . . . 4852 1 551 . 1 1 66 66 MET N N 15 120.7 0.02 . 1 . . . . . . . . 4852 1 552 . 1 1 67 67 GLN H H 1 7.10 0.02 . 1 . . . . . . . . 4852 1 553 . 1 1 67 67 GLN HA H 1 4.27 0.02 . 1 . . . . . . . . 4852 1 554 . 1 1 67 67 GLN HB2 H 1 2.22 0.02 . 1 . . . . . . . . 4852 1 555 . 1 1 67 67 GLN HB3 H 1 2.22 0.02 . 1 . . . . . . . . 4852 1 556 . 1 1 67 67 GLN HG2 H 1 2.42 0.02 . 2 . . . . . . . . 4852 1 557 . 1 1 67 67 GLN HG3 H 1 2.55 0.02 . 2 . . . . . . . . 4852 1 558 . 1 1 67 67 GLN N N 15 117.2 0.02 . 1 . . . . . . . . 4852 1 559 . 1 1 67 67 GLN NE2 N 15 114.9 0.02 . 1 . . . . . . . . 4852 1 560 . 1 1 68 68 GLN H H 1 7.50 0.02 . 1 . . . . . . . . 4852 1 561 . 1 1 68 68 GLN HA H 1 4.37 0.02 . 1 . . . . . . . . 4852 1 562 . 1 1 68 68 GLN HB2 H 1 2.23 0.02 . 1 . . . . . . . . 4852 1 563 . 1 1 68 68 GLN HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4852 1 564 . 1 1 68 68 GLN HG2 H 1 2.39 0.02 . 2 . . . . . . . . 4852 1 565 . 1 1 68 68 GLN HG3 H 1 2.52 0.02 . 2 . . . . . . . . 4852 1 566 . 1 1 68 68 GLN N N 15 120.2 0.2 . 1 . . . . . . . . 4852 1 567 . 1 1 68 68 GLN NE2 N 15 114.7 0.2 . 1 . . . . . . . . 4852 1 568 . 1 1 69 69 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 4852 1 569 . 1 1 69 69 LEU HA H 1 4.93 0.02 . 1 . . . . . . . . 4852 1 570 . 1 1 69 69 LEU HB2 H 1 2.13 0.02 . 1 . . . . . . . . 4852 1 571 . 1 1 69 69 LEU HB3 H 1 1.54 0.02 . 1 . . . . . . . . 4852 1 572 . 1 1 69 69 LEU HG H 1 1.80 0.02 . 1 . . . . . . . . 4852 1 573 . 1 1 69 69 LEU HD11 H 1 0.22 0.02 . 1 . . . . . . . . 4852 1 574 . 1 1 69 69 LEU HD12 H 1 0.22 0.02 . 1 . . . . . . . . 4852 1 575 . 1 1 69 69 LEU HD13 H 1 0.22 0.02 . 1 . . . . . . . . 4852 1 576 . 1 1 69 69 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4852 1 577 . 1 1 69 69 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4852 1 578 . 1 1 69 69 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4852 1 579 . 1 1 69 69 LEU N N 15 124.6 0.02 . 1 . . . . . . . . 4852 1 580 . 1 1 70 70 PRO HA H 1 4.62 0.02 . 1 . . . . . . . . 4852 1 581 . 1 1 70 70 PRO HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4852 1 582 . 1 1 70 70 PRO HB3 H 1 2.28 0.02 . 2 . . . . . . . . 4852 1 583 . 1 1 70 70 PRO HG2 H 1 2.16 0.02 . 1 . . . . . . . . 4852 1 584 . 1 1 70 70 PRO HG3 H 1 2.16 0.02 . 1 . . . . . . . . 4852 1 585 . 1 1 70 70 PRO HD2 H 1 3.88 0.02 . 2 . . . . . . . . 4852 1 586 . 1 1 70 70 PRO HD3 H 1 4.01 0.02 . 2 . . . . . . . . 4852 1 587 . 1 1 71 71 VAL H H 1 7.69 0.02 . 1 . . . . . . . . 4852 1 588 . 1 1 71 71 VAL HA H 1 3.95 0.02 . 1 . . . . . . . . 4852 1 589 . 1 1 71 71 VAL HB H 1 1.48 0.02 . 1 . . . . . . . . 4852 1 590 . 1 1 71 71 VAL HG11 H 1 0.58 0.02 . 1 . . . . . . . . 4852 1 591 . 1 1 71 71 VAL HG12 H 1 0.58 0.02 . 1 . . . . . . . . 4852 1 592 . 1 1 71 71 VAL HG13 H 1 0.58 0.02 . 1 . . . . . . . . 4852 1 593 . 1 1 71 71 VAL HG21 H 1 0.25 0.02 . 1 . . . . . . . . 4852 1 594 . 1 1 71 71 VAL HG22 H 1 0.25 0.02 . 1 . . . . . . . . 4852 1 595 . 1 1 71 71 VAL HG23 H 1 0.25 0.02 . 1 . . . . . . . . 4852 1 596 . 1 1 71 71 VAL N N 15 122.5 0.02 . 1 . . . . . . . . 4852 1 597 . 1 1 72 72 THR H H 1 8.58 0.02 . 1 . . . . . . . . 4852 1 598 . 1 1 72 72 THR HA H 1 3.98 0.02 . 1 . . . . . . . . 4852 1 599 . 1 1 72 72 THR HB H 1 3.67 0.02 . 1 . . . . . . . . 4852 1 600 . 1 1 72 72 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4852 1 601 . 1 1 72 72 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4852 1 602 . 1 1 72 72 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4852 1 603 . 1 1 72 72 THR N N 15 127.8 0.2 . 1 . . . . . . . . 4852 1 604 . 1 1 73 73 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 4852 1 605 . 1 1 73 73 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 4852 1 606 . 1 1 73 73 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 4852 1 607 . 1 1 73 73 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 4852 1 608 . 1 1 73 73 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 4852 1 609 . 1 1 73 73 ALA N N 15 132.1 0.02 . 1 . . . . . . . . 4852 1 610 . 1 1 74 74 ARG H H 1 7.82 0.02 . 1 . . . . . . . . 4852 1 611 . 1 1 74 74 ARG HA H 1 4.02 0.02 . 1 . . . . . . . . 4852 1 612 . 1 1 74 74 ARG HB2 H 1 1.52 0.02 . 2 . . . . . . . . 4852 1 613 . 1 1 74 74 ARG HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4852 1 614 . 1 1 74 74 ARG HG2 H 1 1.38 0.02 . 1 . . . . . . . . 4852 1 615 . 1 1 74 74 ARG HG3 H 1 1.38 0.02 . 1 . . . . . . . . 4852 1 616 . 1 1 74 74 ARG HD2 H 1 2.95 0.02 . 1 . . . . . . . . 4852 1 617 . 1 1 74 74 ARG HD3 H 1 2.95 0.02 . 1 . . . . . . . . 4852 1 618 . 1 1 74 74 ARG HE H 1 7.01 0.02 . 1 . . . . . . . . 4852 1 619 . 1 1 74 74 ARG N N 15 127.3 0.2 . 1 . . . . . . . . 4852 1 stop_ save_