data_7304 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7304 _Entry.Title ; beta-microseminoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-25 _Entry.Accession_date 2006-09-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Houman Ghasriani . . . 7304 2 Kaare Teilum . . . 7304 3 Ylva Johnsson . . . 7304 4 Per Fernlund . . . 7304 5 Torbjorn Drakenberg . . . 7304 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7304 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 555 7304 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-12-19 2006-07-25 update author 'update the entry citation' 7304 1 . . 2006-10-20 2006-07-25 original author 'original release' 7304 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 7243 'chemical shifts of the protein from recombinant technology' 7304 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7304 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16930619 _Citation.Full_citation . _Citation.Title 'Solution structures of human and porcine beta-microseminoprotein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 362 _Citation.Journal_issue 3 _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 502 _Citation.Page_last 515 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Houman Ghasriani . . . 7304 1 2 Kaare Teilum . . . 7304 1 3 Ylva Johnsson . . . 7304 1 4 Per Fernlund . . . 7304 1 5 Torbjorn Drakenberg . . . 7304 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7304 _Assembly.ID 1 _Assembly.Name pMSP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 pMSP 1 $pMSP . . yes native no no . . . 7304 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 2 2 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . 7304 1 2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . 7304 1 3 disulfide single . 1 . 1 CYS 34 34 SG . 1 . 1 CYS 70 70 SG . . . . . . . . . . 7304 1 4 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 46 46 SG . . . . . . . . . . 7304 1 5 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . 7304 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pMSP _Entity.Sf_category entity _Entity.Sf_framecode pMSP _Entity.Entry_ID 7304 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta-microseminoprotein _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 ; QCYFIPNQSLKPNECQDLKG VSHPLNSVWKTKDCEECTCG QDAISCCNTAAIPTGYDTNK CQKILNKKTCTYTVVEKKDP GKTCDVTGWVL ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 5565 . MSP . . . . . 100.00 91 100.00 100.00 3.31e-58 . . . . 7304 1 2 no BMRB 7243 . pMSP . . . . . 100.00 94 100.00 100.00 3.62e-58 . . . . 7304 1 3 no PDB 1XHH . "Solution Structure Of Porcine Beta-Microseminoprotein" . . . . . 100.00 91 100.00 100.00 3.31e-58 . . . . 7304 1 4 no PDB 2IZ4 . "Solution Structure Of Human And Porcine Beta- Microseminoprotein" . . . . . 100.00 94 100.00 100.00 3.62e-58 . . . . 7304 1 5 no GB AAB50711 . "PSP94-like protein [Sus scrofa]" . . . . . 100.00 111 98.90 100.00 3.74e-58 . . . . 7304 1 6 no REF NP_999017 . "beta-microseminoprotein precursor [Sus scrofa]" . . . . . 100.00 111 98.90 100.00 3.74e-58 . . . . 7304 1 7 no SP O02826 . "RecName: Full=Beta-microseminoprotein; AltName: Full=Prostate secreted seminal plasma protein; AltName: Full=Prostate secretory" . . . . . 100.00 111 98.90 100.00 3.74e-58 . . . . 7304 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID beta-microseminoprotein . 7304 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 . GLN . 7304 1 2 . CYS . 7304 1 3 . TYR . 7304 1 4 . PHE . 7304 1 5 . ILE . 7304 1 6 . PRO . 7304 1 7 . ASN . 7304 1 8 . GLN . 7304 1 9 . SER . 7304 1 10 . LEU . 7304 1 11 . LYS . 7304 1 12 . PRO . 7304 1 13 . ASN . 7304 1 14 . GLU . 7304 1 15 . CYS . 7304 1 16 . GLN . 7304 1 17 . ASP . 7304 1 18 . LEU . 7304 1 19 . LYS . 7304 1 20 . GLY . 7304 1 21 . VAL . 7304 1 22 . SER . 7304 1 23 . HIS . 7304 1 24 . PRO . 7304 1 25 . LEU . 7304 1 26 . ASN . 7304 1 27 . SER . 7304 1 28 . VAL . 7304 1 29 . TRP . 7304 1 30 . LYS . 7304 1 31 . THR . 7304 1 32 . LYS . 7304 1 33 . ASP . 7304 1 34 . CYS . 7304 1 35 . GLU . 7304 1 36 . GLU . 7304 1 37 . CYS . 7304 1 38 . THR . 7304 1 39 . CYS . 7304 1 40 . GLY . 7304 1 41 . GLN . 7304 1 42 . ASP . 7304 1 43 . ALA . 7304 1 44 . ILE . 7304 1 45 . SER . 7304 1 46 . CYS . 7304 1 47 . CYS . 7304 1 48 . ASN . 7304 1 49 . THR . 7304 1 50 . ALA . 7304 1 51 . ALA . 7304 1 52 . ILE . 7304 1 53 . PRO . 7304 1 54 . THR . 7304 1 55 . GLY . 7304 1 56 . TYR . 7304 1 57 . ASP . 7304 1 58 . THR . 7304 1 59 . ASN . 7304 1 60 . LYS . 7304 1 61 . CYS . 7304 1 62 . GLN . 7304 1 63 . LYS . 7304 1 64 . ILE . 7304 1 65 . LEU . 7304 1 66 . ASN . 7304 1 67 . LYS . 7304 1 68 . LYS . 7304 1 69 . THR . 7304 1 70 . CYS . 7304 1 71 . THR . 7304 1 72 . TYR . 7304 1 73 . THR . 7304 1 74 . VAL . 7304 1 75 . VAL . 7304 1 76 . GLU . 7304 1 77 . LYS . 7304 1 78 . LYS . 7304 1 79 . ASP . 7304 1 80 . PRO . 7304 1 81 . GLY . 7304 1 82 . LYS . 7304 1 83 . THR . 7304 1 84 . CYS . 7304 1 85 . ASP . 7304 1 86 . VAL . 7304 1 87 . THR . 7304 1 88 . GLY . 7304 1 89 . TRP . 7304 1 90 . VAL . 7304 1 91 . LEU . 7304 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 . GLN 1 1 7304 1 . CYS 2 2 7304 1 . TYR 3 3 7304 1 . PHE 4 4 7304 1 . ILE 5 5 7304 1 . PRO 6 6 7304 1 . ASN 7 7 7304 1 . GLN 8 8 7304 1 . SER 9 9 7304 1 . LEU 10 10 7304 1 . LYS 11 11 7304 1 . PRO 12 12 7304 1 . ASN 13 13 7304 1 . GLU 14 14 7304 1 . CYS 15 15 7304 1 . GLN 16 16 7304 1 . ASP 17 17 7304 1 . LEU 18 18 7304 1 . LYS 19 19 7304 1 . GLY 20 20 7304 1 . VAL 21 21 7304 1 . SER 22 22 7304 1 . HIS 23 23 7304 1 . PRO 24 24 7304 1 . LEU 25 25 7304 1 . ASN 26 26 7304 1 . SER 27 27 7304 1 . VAL 28 28 7304 1 . TRP 29 29 7304 1 . LYS 30 30 7304 1 . THR 31 31 7304 1 . LYS 32 32 7304 1 . ASP 33 33 7304 1 . CYS 34 34 7304 1 . GLU 35 35 7304 1 . GLU 36 36 7304 1 . CYS 37 37 7304 1 . THR 38 38 7304 1 . CYS 39 39 7304 1 . GLY 40 40 7304 1 . GLN 41 41 7304 1 . ASP 42 42 7304 1 . ALA 43 43 7304 1 . ILE 44 44 7304 1 . SER 45 45 7304 1 . CYS 46 46 7304 1 . CYS 47 47 7304 1 . ASN 48 48 7304 1 . THR 49 49 7304 1 . ALA 50 50 7304 1 . ALA 51 51 7304 1 . ILE 52 52 7304 1 . PRO 53 53 7304 1 . THR 54 54 7304 1 . GLY 55 55 7304 1 . TYR 56 56 7304 1 . ASP 57 57 7304 1 . THR 58 58 7304 1 . ASN 59 59 7304 1 . LYS 60 60 7304 1 . CYS 61 61 7304 1 . GLN 62 62 7304 1 . LYS 63 63 7304 1 . ILE 64 64 7304 1 . LEU 65 65 7304 1 . ASN 66 66 7304 1 . LYS 67 67 7304 1 . LYS 68 68 7304 1 . THR 69 69 7304 1 . CYS 70 70 7304 1 . THR 71 71 7304 1 . TYR 72 72 7304 1 . THR 73 73 7304 1 . VAL 74 74 7304 1 . VAL 75 75 7304 1 . GLU 76 76 7304 1 . LYS 77 77 7304 1 . LYS 78 78 7304 1 . ASP 79 79 7304 1 . PRO 80 80 7304 1 . GLY 81 81 7304 1 . LYS 82 82 7304 1 . THR 83 83 7304 1 . CYS 84 84 7304 1 . ASP 85 85 7304 1 . VAL 86 86 7304 1 . THR 87 87 7304 1 . GLY 88 88 7304 1 . TRP 89 89 7304 1 . VAL 90 90 7304 1 . LEU 91 91 7304 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 7304 _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 $pMSP . 9823 organism yes . Porcine . . Eukaryota Metazoa sus scorfa 'seminal plasma' . . . . . . . . . . . . . . . . . . . . 7304 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 7304 _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 $pMSP . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7304 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7304 _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 beta-microseminoprotein . . . 1 $pMSP . . 4.0 . . mM 0.2 . . . 7304 1 2 H2O . . . . . . . 90 . . % . . . . 7304 1 3 D2O . . . . . . . 10 . . % . . . . 7304 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7304 _Sample.ID 2 _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 beta-microseminoprotein . . . 1 $pMSP . . . 3.4 4.2 mM . . . . 7304 2 2 D2O . . . . . . . 100 . . % . . . . 7304 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7304 _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 6.0 0.1 pH 7304 1 temperature 310 1 K 7304 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7304 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7304 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7304 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7304 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7304 1 4 CbCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7304 1 5 2D-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7304 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7304 _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 . . . 1 $entry_citation . . 1 $entry_citation 7304 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7304 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _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 1H15N_HSQC 1 $sample_1 isotropic 7304 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID . $software_1 . . 7304 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 GLN HA H 1 4.552 0.02 . 1 . . . . 1 GLN HA . 7304 1 2 . 1 1 1 1 GLN HB2 H 1 2.191 0.02 . 2 . . . . 1 GLN HB2 . 7304 1 3 . 1 1 1 1 GLN HB3 H 1 2.455 0.02 . 2 . . . . 1 GLN HB3 . 7304 1 4 . 1 1 1 1 GLN HG2 H 1 2.712 0.02 . 2 . . . . 1 GLN HG2 . 7304 1 5 . 1 1 2 2 CYS H H 1 8.428 0.02 . 1 . . . . 2 CYS H . 7304 1 6 . 1 1 2 2 CYS HA H 1 5.800 0.02 . 1 . . . . 2 CYS HA . 7304 1 7 . 1 1 2 2 CYS HB2 H 1 2.598 0.02 . 2 . . . . 2 CYS HB2 . 7304 1 8 . 1 1 2 2 CYS HB3 H 1 2.911 0.02 . 2 . . . . 2 CYS HB3 . 7304 1 9 . 1 1 3 3 TYR H H 1 8.835 0.02 . 1 . . . . 3 TYR H . 7304 1 10 . 1 1 3 3 TYR HA H 1 4.768 0.02 . 1 . . . . 3 TYR HA . 7304 1 11 . 1 1 3 3 TYR HB2 H 1 2.940 0.02 . 2 . . . . 3 TYR HB2 . 7304 1 12 . 1 1 3 3 TYR HB3 H 1 3.049 0.02 . 2 . . . . 3 TYR HB3 . 7304 1 13 . 1 1 3 3 TYR HD1 H 1 6.801 0.02 . 3 . . . . 3 TYR HD1 . 7304 1 14 . 1 1 3 3 TYR HE1 H 1 6.727 0.02 . 3 . . . . 3 TYR HE1 . 7304 1 15 . 1 1 4 4 PHE H H 1 8.510 0.02 . 1 . . . . 4 PHE H . 7304 1 16 . 1 1 4 4 PHE HA H 1 5.663 0.02 . 1 . . . . 4 PHE HA . 7304 1 17 . 1 1 4 4 PHE HB2 H 1 2.856 0.02 . 2 . . . . 4 PHE HB2 . 7304 1 18 . 1 1 4 4 PHE HB3 H 1 2.885 0.02 . 2 . . . . 4 PHE HB3 . 7304 1 19 . 1 1 4 4 PHE HD1 H 1 7.165 0.02 . 3 . . . . 4 PHE HD1 . 7304 1 20 . 1 1 4 4 PHE HE1 H 1 7.309 0.02 . 3 . . . . 4 PHE HE1 . 7304 1 21 . 1 1 4 4 PHE HZ H 1 7.251 0.02 . 1 . . . . 4 PHE HZ . 7304 1 22 . 1 1 5 5 ILE H H 1 9.288 0.02 . 1 . . . . 5 ILE H . 7304 1 23 . 1 1 5 5 ILE HA H 1 4.801 0.02 . 1 . . . . 5 ILE HA . 7304 1 24 . 1 1 5 5 ILE HB H 1 1.946 0.02 . 1 . . . . 5 ILE HB . 7304 1 25 . 1 1 5 5 ILE HG12 H 1 1.259 0.02 . 2 . . . . 5 ILE HG12 . 7304 1 26 . 1 1 5 5 ILE HG13 H 1 1.625 0.02 . 2 . . . . 5 ILE HG13 . 7304 1 27 . 1 1 5 5 ILE HG21 H 1 1.142 0.02 . 1 . . . . 5 ILE HG2 . 7304 1 28 . 1 1 5 5 ILE HG22 H 1 1.142 0.02 . 1 . . . . 5 ILE HG2 . 7304 1 29 . 1 1 5 5 ILE HG23 H 1 1.142 0.02 . 1 . . . . 5 ILE HG2 . 7304 1 30 . 1 1 5 5 ILE HD11 H 1 1.070 0.02 . 1 . . . . 5 ILE HD1 . 7304 1 31 . 1 1 5 5 ILE HD12 H 1 1.070 0.02 . 1 . . . . 5 ILE HD1 . 7304 1 32 . 1 1 5 5 ILE HD13 H 1 1.070 0.02 . 1 . . . . 5 ILE HD1 . 7304 1 33 . 1 1 6 6 PRO HA H 1 4.495 0.02 . 1 . . . . 6 PRO HA . 7304 1 34 . 1 1 6 6 PRO HB2 H 1 1.880 0.02 . 2 . . . . 6 PRO HB2 . 7304 1 35 . 1 1 6 6 PRO HB3 H 1 2.432 0.02 . 2 . . . . 6 PRO HB3 . 7304 1 36 . 1 1 6 6 PRO HG2 H 1 2.074 0.02 . 2 . . . . 6 PRO HG2 . 7304 1 37 . 1 1 6 6 PRO HG3 H 1 2.167 0.02 . 2 . . . . 6 PRO HG3 . 7304 1 38 . 1 1 6 6 PRO HD2 H 1 3.826 0.02 . 2 . . . . 6 PRO HD2 . 7304 1 39 . 1 1 6 6 PRO HD3 H 1 3.931 0.02 . 2 . . . . 6 PRO HD3 . 7304 1 40 . 1 1 7 7 ASN H H 1 8.238 0.02 . 1 . . . . 7 ASN H . 7304 1 41 . 1 1 7 7 ASN HA H 1 4.769 0.02 . 1 . . . . 7 ASN HA . 7304 1 42 . 1 1 7 7 ASN HB2 H 1 2.489 0.02 . 2 . . . . 7 ASN HB2 . 7304 1 43 . 1 1 7 7 ASN HB3 H 1 3.094 0.02 . 2 . . . . 7 ASN HB3 . 7304 1 44 . 1 1 7 7 ASN HD21 H 1 7.562 0.02 . 2 . . . . 7 ASN HD21 . 7304 1 45 . 1 1 7 7 ASN HD22 H 1 7.234 0.02 . 2 . . . . 7 ASN HD22 . 7304 1 46 . 1 1 8 8 GLN H H 1 8.619 0.02 . 1 . . . . 8 GLN H . 7304 1 47 . 1 1 8 8 GLN HA H 1 4.425 0.02 . 1 . . . . 8 GLN HA . 7304 1 48 . 1 1 8 8 GLN HB2 H 1 2.304 0.02 . 2 . . . . 8 GLN HB2 . 7304 1 49 . 1 1 8 8 GLN HB3 H 1 1.809 0.02 . 2 . . . . 8 GLN HB3 . 7304 1 50 . 1 1 8 8 GLN HG2 H 1 2.289 0.02 . 2 . . . . 8 GLN HG2 . 7304 1 51 . 1 1 8 8 GLN HG3 H 1 2.388 0.02 . 2 . . . . 8 GLN HG3 . 7304 1 52 . 1 1 8 8 GLN HE21 H 1 7.460 0.02 . 2 . . . . 8 GLN HE21 . 7304 1 53 . 1 1 8 8 GLN HE22 H 1 6.957 0.02 . 2 . . . . 8 GLN HE22 . 7304 1 54 . 1 1 9 9 SER H H 1 7.840 0.02 . 1 . . . . 9 SER H . 7304 1 55 . 1 1 9 9 SER HA H 1 4.282 0.02 . 1 . . . . 9 SER HA . 7304 1 56 . 1 1 9 9 SER HB2 H 1 3.908 0.02 . 2 . . . . 9 SER HB2 . 7304 1 57 . 1 1 9 9 SER HB3 H 1 3.908 0.02 . 2 . . . . 9 SER HB3 . 7304 1 58 . 1 1 10 10 LEU H H 1 8.634 0.02 . 1 . . . . 10 LEU H . 7304 1 59 . 1 1 10 10 LEU HA H 1 4.384 0.02 . 1 . . . . 10 LEU HA . 7304 1 60 . 1 1 10 10 LEU HB2 H 1 1.625 0.02 . 2 . . . . 10 LEU HB2 . 7304 1 61 . 1 1 10 10 LEU HG H 1 1.686 0.02 . 1 . . . . 10 LEU HG . 7304 1 62 . 1 1 10 10 LEU HD11 H 1 0.931 0.02 . 1 . . . . 10 LEU HD1 . 7304 1 63 . 1 1 10 10 LEU HD12 H 1 0.931 0.02 . 1 . . . . 10 LEU HD1 . 7304 1 64 . 1 1 10 10 LEU HD13 H 1 0.931 0.02 . 1 . . . . 10 LEU HD1 . 7304 1 65 . 1 1 10 10 LEU HD21 H 1 0.875 0.02 . 1 . . . . 10 LEU HD2 . 7304 1 66 . 1 1 10 10 LEU HD22 H 1 0.875 0.02 . 1 . . . . 10 LEU HD2 . 7304 1 67 . 1 1 10 10 LEU HD23 H 1 0.875 0.02 . 1 . . . . 10 LEU HD2 . 7304 1 68 . 1 1 11 11 LYS H H 1 8.170 0.02 . 1 . . . . 11 LYS H . 7304 1 69 . 1 1 11 11 LYS HA H 1 4.650 0.05 . 1 . . . . 11 LYS HA . 7304 1 70 . 1 1 11 11 LYS HB2 H 1 1.765 0.02 . 2 . . . . 11 LYS HB2 . 7304 1 71 . 1 1 11 11 LYS HB3 H 1 1.529 0.02 . 2 . . . . 11 LYS HB2 . 7304 1 72 . 1 1 11 11 LYS HG2 H 1 1.389 0.02 . 2 . . . . 11 LYS HG2 . 7304 1 73 . 1 1 11 11 LYS HG3 H 1 1.333 0.02 . 2 . . . . 11 LYS HG3 . 7304 1 74 . 1 1 11 11 LYS HD2 H 1 1.606 0.02 . 2 . . . . 11 LYS HD2 . 7304 1 75 . 1 1 11 11 LYS HD3 H 1 1.606 0.02 . 2 . . . . 11 LYS HD3 . 7304 1 76 . 1 1 11 11 LYS HE2 H 1 2.928 0.02 . 2 . . . . 11 LYS HE2 . 7304 1 77 . 1 1 12 12 PRO HA H 1 4.454 0.02 . 1 . . . . 12 PRO HA . 7304 1 78 . 1 1 12 12 PRO HB2 H 1 1.905 0.02 . 2 . . . . 12 PRO HB2 . 7304 1 79 . 1 1 12 12 PRO HB3 H 1 2.266 0.02 . 2 . . . . 12 PRO HB3 . 7304 1 80 . 1 1 12 12 PRO HG2 H 1 2.285 0.02 . 2 . . . . 12 PRO HG2 . 7304 1 81 . 1 1 12 12 PRO HG3 H 1 2.013 0.02 . 2 . . . . 12 PRO HG3 . 7304 1 82 . 1 1 12 12 PRO HD2 H 1 3.841 0.02 . 2 . . . . 12 PRO HD2 . 7304 1 83 . 1 1 12 12 PRO HD3 H 1 3.675 0.02 . 2 . . . . 12 PRO HD3 . 7304 1 84 . 1 1 13 13 ASN H H 1 8.667 0.02 . 1 . . . . 13 ASN H . 7304 1 85 . 1 1 13 13 ASN HA H 1 4.452 0.02 . 1 . . . . 13 ASN HA . 7304 1 86 . 1 1 13 13 ASN HB2 H 1 2.958 0.02 . 2 . . . . 13 ASN HB2 . 7304 1 87 . 1 1 13 13 ASN HB3 H 1 3.028 0.02 . 2 . . . . 13 ASN HB3 . 7304 1 88 . 1 1 13 13 ASN HD21 H 1 7.513 0.02 . 2 . . . . 13 ASN HD21 . 7304 1 89 . 1 1 13 13 ASN HD22 H 1 6.843 0.02 . 2 . . . . 13 ASN HD22 . 7304 1 90 . 1 1 14 14 GLU H H 1 7.608 0.02 . 1 . . . . 14 GLU H . 7304 1 91 . 1 1 14 14 GLU HA H 1 4.891 0.02 . 1 . . . . 14 GLU HA . 7304 1 92 . 1 1 14 14 GLU HB2 H 1 1.974 0.02 . 2 . . . . 14 GLU HB2 . 7304 1 93 . 1 1 14 14 GLU HB3 H 1 1.974 0.02 . 2 . . . . 14 GLU HB3 . 7304 1 94 . 1 1 14 14 GLU HG2 H 1 2.025 0.02 . 2 . . . . 14 GLU HG2 . 7304 1 95 . 1 1 14 14 GLU HG3 H 1 2.025 0.02 . 2 . . . . 14 GLU HG3 . 7304 1 96 . 1 1 15 15 CYS H H 1 9.238 0.02 . 1 . . . . 15 CYS H . 7304 1 97 . 1 1 15 15 CYS HA H 1 5.246 0.02 . 1 . . . . 15 CYS HA . 7304 1 98 . 1 1 15 15 CYS HB2 H 1 2.785 0.02 . 2 . . . . 15 CYS HB2 . 7304 1 99 . 1 1 15 15 CYS HB3 H 1 3.009 0.02 . 2 . . . . 15 CYS HB3 . 7304 1 100 . 1 1 16 16 GLN H H 1 8.374 0.02 . 1 . . . . 16 GLN H . 7304 1 101 . 1 1 16 16 GLN HA H 1 5.046 0.02 . 1 . . . . 16 GLN HA . 7304 1 102 . 1 1 16 16 GLN HB2 H 1 1.931 0.02 . 2 . . . . 16 GLN HB2 . 7304 1 103 . 1 1 16 16 GLN HB3 H 1 1.823 0.02 . 2 . . . . 16 GLN HB3 . 7304 1 104 . 1 1 16 16 GLN HG2 H 1 2.311 0.02 . 2 . . . . 16 GLN HG2 . 7304 1 105 . 1 1 16 16 GLN HG3 H 1 2.311 0.02 . 2 . . . . 16 GLN HG3 . 7304 1 106 . 1 1 16 16 GLN HE21 H 1 7.511 0.02 . 2 . . . . 16 GLN HE21 . 7304 1 107 . 1 1 16 16 GLN HE22 H 1 6.730 0.02 . 2 . . . . 16 GLN HE22 . 7304 1 108 . 1 1 17 17 ASP H H 1 8.351 0.02 . 1 . . . . 17 ASP H . 7304 1 109 . 1 1 17 17 ASP HA H 1 4.681 0.02 . 1 . . . . 17 ASP HA . 7304 1 110 . 1 1 17 17 ASP HB2 H 1 2.458 0.02 . 2 . . . . 17 ASP HB2 . 7304 1 111 . 1 1 17 17 ASP HB3 H 1 3.753 0.02 . 2 . . . . 17 ASP HB3 . 7304 1 112 . 1 1 18 18 LEU H H 1 8.310 0.02 . 1 . . . . 18 LEU H . 7304 1 113 . 1 1 18 18 LEU HA H 1 4.211 0.02 . 1 . . . . 18 LEU HA . 7304 1 114 . 1 1 18 18 LEU HB2 H 1 1.732 0.02 . 2 . . . . 18 LEU HB2 . 7304 1 115 . 1 1 18 18 LEU HB3 H 1 1.879 0.02 . 2 . . . . 18 LEU HB3 . 7304 1 116 . 1 1 18 18 LEU HG H 1 1.834 0.02 . 1 . . . . 18 LEU HG . 7304 1 117 . 1 1 18 18 LEU HD11 H 1 1.045 0.02 . 1 . . . . 18 LEU HD1 . 7304 1 118 . 1 1 18 18 LEU HD12 H 1 1.045 0.02 . 1 . . . . 18 LEU HD1 . 7304 1 119 . 1 1 18 18 LEU HD13 H 1 1.045 0.02 . 1 . . . . 18 LEU HD1 . 7304 1 120 . 1 1 18 18 LEU HD21 H 1 0.963 0.02 . 1 . . . . 18 LEU HD2 . 7304 1 121 . 1 1 18 18 LEU HD22 H 1 0.963 0.02 . 1 . . . . 18 LEU HD2 . 7304 1 122 . 1 1 18 18 LEU HD23 H 1 0.963 0.02 . 1 . . . . 18 LEU HD2 . 7304 1 123 . 1 1 19 19 LYS H H 1 8.260 0.02 . 1 . . . . 19 LYS H . 7304 1 124 . 1 1 19 19 LYS HA H 1 4.459 0.02 . 1 . . . . 19 LYS HA . 7304 1 125 . 1 1 19 19 LYS HB2 H 1 2.052 0.02 . 2 . . . . 19 LYS HB2 . 7304 1 126 . 1 1 19 19 LYS HB3 H 1 1.919 0.02 . 2 . . . . 19 LYS HB3 . 7304 1 127 . 1 1 19 19 LYS HG2 H 1 1.422 0.02 . 2 . . . . 19 LYS HG2 . 7304 1 128 . 1 1 19 19 LYS HG3 H 1 1.518 0.02 . 2 . . . . 19 LYS HG3 . 7304 1 129 . 1 1 19 19 LYS HD2 H 1 1.701 0.02 . 2 . . . . 19 LYS HD2 . 7304 1 130 . 1 1 19 19 LYS HE2 H 1 3.026 0.02 . 2 . . . . 19 LYS HE2 . 7304 1 131 . 1 1 20 20 GLY H H 1 7.951 0.02 . 1 . . . . 20 GLY H . 7304 1 132 . 1 1 20 20 GLY HA2 H 1 3.551 0.02 . 2 . . . . 20 GLY HA2 . 7304 1 133 . 1 1 20 20 GLY HA3 H 1 4.167 0.02 . 2 . . . . 20 GLY HA3 . 7304 1 134 . 1 1 21 21 VAL H H 1 8.094 0.02 . 1 . . . . 21 VAL H . 7304 1 135 . 1 1 21 21 VAL HA H 1 3.758 0.02 . 1 . . . . 21 VAL HA . 7304 1 136 . 1 1 21 21 VAL HB H 1 2.268 0.02 . 1 . . . . 21 VAL HB . 7304 1 137 . 1 1 21 21 VAL HG11 H 1 0.785 0.02 . 1 . . . . 21 VAL HG1 . 7304 1 138 . 1 1 21 21 VAL HG12 H 1 0.785 0.02 . 1 . . . . 21 VAL HG1 . 7304 1 139 . 1 1 21 21 VAL HG13 H 1 0.785 0.02 . 1 . . . . 21 VAL HG1 . 7304 1 140 . 1 1 21 21 VAL HG21 H 1 0.393 0.02 . 1 . . . . 21 VAL HG2 . 7304 1 141 . 1 1 21 21 VAL HG22 H 1 0.393 0.02 . 1 . . . . 21 VAL HG2 . 7304 1 142 . 1 1 21 21 VAL HG23 H 1 0.393 0.02 . 1 . . . . 21 VAL HG2 . 7304 1 143 . 1 1 22 22 SER H H 1 8.231 0.02 . 1 . . . . 22 SER H . 7304 1 144 . 1 1 22 22 SER HA H 1 4.984 0.02 . 1 . . . . 22 SER HA . 7304 1 145 . 1 1 22 22 SER HB2 H 1 3.574 0.02 . 2 . . . . 22 SER HB2 . 7304 1 146 . 1 1 23 23 HIS H H 1 8.627 0.02 . 1 . . . . 23 HIS H . 7304 1 147 . 1 1 23 23 HIS HA H 1 4.729 0.02 . 1 . . . . 23 HIS HA . 7304 1 148 . 1 1 23 23 HIS HB2 H 1 2.233 0.02 . 2 . . . . 23 HIS HB2 . 7304 1 149 . 1 1 23 23 HIS HB3 H 1 2.787 0.02 . 2 . . . . 23 HIS HB3 . 7304 1 150 . 1 1 23 23 HIS HD2 H 1 6.286 0.02 . 1 . . . . 23 HIS HD2 . 7304 1 151 . 1 1 23 23 HIS HE1 H 1 7.389 0.02 . 1 . . . . 23 HIS HE1 . 7304 1 152 . 1 1 24 24 PRO HA H 1 4.565 0.02 . 1 . . . . 24 PRO HA . 7304 1 153 . 1 1 24 24 PRO HB2 H 1 1.903 0.02 . 2 . . . . 24 PRO HB2 . 7304 1 154 . 1 1 24 24 PRO HG2 H 1 2.095 0.02 . 2 . . . . 24 PRO HG2 . 7304 1 155 . 1 1 24 24 PRO HD2 H 1 3.830 0.02 . 2 . . . . 24 PRO HD2 . 7304 1 156 . 1 1 24 24 PRO HD3 H 1 3.719 0.02 . 2 . . . . 24 PRO HD3 . 7304 1 157 . 1 1 25 25 LEU H H 1 7.901 0.02 . 1 . . . . 25 LEU H . 7304 1 158 . 1 1 25 25 LEU HA H 1 3.941 0.02 . 1 . . . . 25 LEU HA . 7304 1 159 . 1 1 25 25 LEU HB2 H 1 1.315 0.02 . 2 . . . . 25 LEU HB2 . 7304 1 160 . 1 1 25 25 LEU HB3 H 1 1.593 0.02 . 2 . . . . 25 LEU HB3 . 7304 1 161 . 1 1 25 25 LEU HG H 1 1.534 0.02 . 1 . . . . 25 LEU HG . 7304 1 162 . 1 1 25 25 LEU HD11 H 1 0.884 0.02 . 1 . . . . 25 LEU HD1 . 7304 1 163 . 1 1 25 25 LEU HD12 H 1 0.884 0.02 . 1 . . . . 25 LEU HD1 . 7304 1 164 . 1 1 25 25 LEU HD13 H 1 0.884 0.02 . 1 . . . . 25 LEU HD1 . 7304 1 165 . 1 1 25 25 LEU HD21 H 1 0.820 0.02 . 1 . . . . 25 LEU HD2 . 7304 1 166 . 1 1 25 25 LEU HD22 H 1 0.820 0.02 . 1 . . . . 25 LEU HD2 . 7304 1 167 . 1 1 25 25 LEU HD23 H 1 0.820 0.02 . 1 . . . . 25 LEU HD2 . 7304 1 168 . 1 1 26 26 ASN H H 1 8.798 0.02 . 1 . . . . 26 ASN H . 7304 1 169 . 1 1 26 26 ASN HA H 1 4.445 0.02 . 1 . . . . 26 ASN HA . 7304 1 170 . 1 1 26 26 ASN HB2 H 1 3.053 0.02 . 2 . . . . 26 ASN HB2 . 7304 1 171 . 1 1 26 26 ASN HB3 H 1 3.285 0.02 . 2 . . . . 26 ASN HB3 . 7304 1 172 . 1 1 26 26 ASN HD21 H 1 7.588 0.02 . 2 . . . . 26 ASN HD21 . 7304 1 173 . 1 1 26 26 ASN HD22 H 1 6.915 0.02 . 2 . . . . 26 ASN HD22 . 7304 1 174 . 1 1 27 27 SER H H 1 8.087 0.02 . 1 . . . . 27 SER H . 7304 1 175 . 1 1 27 27 SER HA H 1 4.609 0.02 . 1 . . . . 27 SER HA . 7304 1 176 . 1 1 27 27 SER HB2 H 1 4.044 0.02 . 2 . . . . 27 SER HB2 . 7304 1 177 . 1 1 27 27 SER HB3 H 1 4.256 0.02 . 2 . . . . 27 SER HB3 . 7304 1 178 . 1 1 28 28 VAL H H 1 8.216 0.02 . 1 . . . . 28 VAL H . 7304 1 179 . 1 1 28 28 VAL HA H 1 5.379 0.02 . 1 . . . . 28 VAL HA . 7304 1 180 . 1 1 28 28 VAL HB H 1 1.845 0.02 . 1 . . . . 28 VAL HB . 7304 1 181 . 1 1 28 28 VAL HG11 H 1 0.911 0.02 . 1 . . . . 28 VAL HG1 . 7304 1 182 . 1 1 28 28 VAL HG12 H 1 0.911 0.02 . 1 . . . . 28 VAL HG1 . 7304 1 183 . 1 1 28 28 VAL HG13 H 1 0.911 0.02 . 1 . . . . 28 VAL HG1 . 7304 1 184 . 1 1 28 28 VAL HG21 H 1 0.778 0.02 . 1 . . . . 28 VAL HG2 . 7304 1 185 . 1 1 28 28 VAL HG22 H 1 0.778 0.02 . 1 . . . . 28 VAL HG2 . 7304 1 186 . 1 1 28 28 VAL HG23 H 1 0.778 0.02 . 1 . . . . 28 VAL HG2 . 7304 1 187 . 1 1 29 29 TRP H H 1 8.973 0.02 . 1 . . . . 29 TRP H . 7304 1 188 . 1 1 29 29 TRP HA H 1 5.130 0.02 . 1 . . . . 29 TRP HA . 7304 1 189 . 1 1 29 29 TRP HB2 H 1 3.253 0.02 . 2 . . . . 29 TRP HB2 . 7304 1 190 . 1 1 29 29 TRP HB3 H 1 3.369 0.02 . 2 . . . . 29 TRP HB3 . 7304 1 191 . 1 1 29 29 TRP HD1 H 1 6.825 0.02 . 1 . . . . 29 TRP HD1 . 7304 1 192 . 1 1 29 29 TRP HE1 H 1 10.091 0.02 . 1 . . . . 29 TRP HE1 . 7304 1 193 . 1 1 29 29 TRP HE3 H 1 7.017 0.02 . 1 . . . . 29 TRP HE3 . 7304 1 194 . 1 1 29 29 TRP HZ2 H 1 6.797 0.02 . 1 . . . . 29 TRP HZ2 . 7304 1 195 . 1 1 29 29 TRP HZ3 H 1 6.678 0.02 . 1 . . . . 29 TRP HZ3 . 7304 1 196 . 1 1 29 29 TRP HH2 H 1 6.299 0.02 . 1 . . . . 29 TRP HH2 . 7304 1 197 . 1 1 30 30 LYS H H 1 8.536 0.02 . 1 . . . . 30 LYS H . 7304 1 198 . 1 1 30 30 LYS HA H 1 5.244 0.02 . 1 . . . . 30 LYS HA . 7304 1 199 . 1 1 30 30 LYS HB2 H 1 1.790 0.02 . 2 . . . . 30 LYS HB2 . 7304 1 200 . 1 1 30 30 LYS HB3 H 1 1.974 0.02 . 2 . . . . 30 LYS HB3 . 7304 1 201 . 1 1 30 30 LYS HG2 H 1 1.452 0.02 . 2 . . . . 30 LYS HG2 . 7304 1 202 . 1 1 30 30 LYS HG3 H 1 1.542 0.02 . 2 . . . . 30 LYS HG3 . 7304 1 203 . 1 1 30 30 LYS HD2 H 1 1.693 0.02 . 2 . . . . 30 LYS HD2 . 7304 1 204 . 1 1 30 30 LYS HE2 H 1 2.965 0.02 . 2 . . . . 30 LYS HE2 . 7304 1 205 . 1 1 31 31 THR H H 1 8.519 0.02 . 1 . . . . 31 THR H . 7304 1 206 . 1 1 31 31 THR HA H 1 4.909 0.02 . 1 . . . . 31 THR HA . 7304 1 207 . 1 1 31 31 THR HB H 1 4.710 0.02 . 1 . . . . 31 THR HB . 7304 1 208 . 1 1 31 31 THR HG21 H 1 1.314 0.02 . 1 . . . . 31 THR HG2 . 7304 1 209 . 1 1 31 31 THR HG22 H 1 1.314 0.02 . 1 . . . . 31 THR HG2 . 7304 1 210 . 1 1 31 31 THR HG23 H 1 1.314 0.02 . 1 . . . . 31 THR HG2 . 7304 1 211 . 1 1 32 32 LYS H H 1 8.692 0.02 . 1 . . . . 32 LYS H . 7304 1 212 . 1 1 32 32 LYS HA H 1 4.389 0.02 . 1 . . . . 32 LYS HA . 7304 1 213 . 1 1 32 32 LYS HB2 H 1 1.855 0.02 . 2 . . . . 32 LYS HB2 . 7304 1 214 . 1 1 32 32 LYS HB3 H 1 2.005 0.02 . 2 . . . . 32 LYS HB3 . 7304 1 215 . 1 1 32 32 LYS HG2 H 1 1.508 0.02 . 2 . . . . 32 LYS HG2 . 7304 1 216 . 1 1 33 33 ASP H H 1 7.904 0.02 . 1 . . . . 33 ASP H . 7304 1 217 . 1 1 33 33 ASP HA H 1 4.749 0.02 . 1 . . . . 33 ASP HA . 7304 1 218 . 1 1 33 33 ASP HB2 H 1 2.386 0.02 . 2 . . . . 33 ASP HB2 . 7304 1 219 . 1 1 33 33 ASP HB3 H 1 2.835 0.02 . 2 . . . . 33 ASP HB3 . 7304 1 220 . 1 1 34 34 CYS H H 1 8.205 0.02 . 1 . . . . 34 CYS H . 7304 1 221 . 1 1 34 34 CYS HA H 1 4.361 0.02 . 1 . . . . 34 CYS HA . 7304 1 222 . 1 1 34 34 CYS HB2 H 1 3.163 0.02 . 2 . . . . 34 CYS HB2 . 7304 1 223 . 1 1 34 34 CYS HB3 H 1 3.241 0.02 . 2 . . . . 34 CYS HB3 . 7304 1 224 . 1 1 35 35 GLU H H 1 7.238 0.02 . 1 . . . . 35 GLU H . 7304 1 225 . 1 1 35 35 GLU HA H 1 5.144 0.02 . 1 . . . . 35 GLU HA . 7304 1 226 . 1 1 35 35 GLU HB2 H 1 1.997 0.02 . 2 . . . . 35 GLU HB2 . 7304 1 227 . 1 1 35 35 GLU HG2 H 1 1.660 0.02 . 2 . . . . 35 GLU HB3 . 7304 1 228 . 1 1 36 36 GLU H H 1 8.637 0.02 . 1 . . . . 36 GLU H . 7304 1 229 . 1 1 36 36 GLU HA H 1 4.869 0.02 . 1 . . . . 36 GLU HA . 7304 1 230 . 1 1 37 37 CYS H H 1 8.989 0.02 . 1 . . . . 37 CYS H . 7304 1 231 . 1 1 37 37 CYS HA H 1 5.492 0.02 . 1 . . . . 37 CYS HA . 7304 1 232 . 1 1 37 37 CYS HB2 H 1 1.612 0.02 . 2 . . . . 37 CYS HB2 . 7304 1 233 . 1 1 37 37 CYS HB3 H 1 0.566 0.02 . 2 . . . . 37 CYS HB3 . 7304 1 234 . 1 1 38 38 THR H H 1 8.562 0.02 . 1 . . . . 38 THR H . 7304 1 235 . 1 1 38 38 THR HA H 1 5.067 0.02 . 1 . . . . 38 THR HA . 7304 1 236 . 1 1 38 38 THR HB H 1 3.814 0.02 . 1 . . . . 38 THR HB . 7304 1 237 . 1 1 38 38 THR HG21 H 1 1.020 0.02 . 1 . . . . 38 THR HG2 . 7304 1 238 . 1 1 38 38 THR HG22 H 1 1.020 0.02 . 1 . . . . 38 THR HG2 . 7304 1 239 . 1 1 38 38 THR HG23 H 1 1.020 0.02 . 1 . . . . 38 THR HG2 . 7304 1 240 . 1 1 39 39 CYS H H 1 8.308 0.02 . 1 . . . . 39 CYS H . 7304 1 241 . 1 1 39 39 CYS HA H 1 5.121 0.02 . 1 . . . . 39 CYS HA . 7304 1 242 . 1 1 39 39 CYS HB2 H 1 3.191 0.02 . 2 . . . . 39 CYS HB2 . 7304 1 243 . 1 1 40 40 GLY H H 1 8.053 0.02 . 1 . . . . 40 GLY H . 7304 1 244 . 1 1 40 40 GLY HA2 H 1 3.921 0.02 . 2 . . . . 40 GLY HA2 . 7304 1 245 . 1 1 40 40 GLY HA3 H 1 4.757 0.02 . 2 . . . . 40 GLY HA3 . 7304 1 246 . 1 1 41 41 GLN H H 1 8.503 0.02 . 1 . . . . 41 GLN H . 7304 1 247 . 1 1 41 41 GLN HA H 1 3.906 0.02 . 1 . . . . 41 GLN HA . 7304 1 248 . 1 1 41 41 GLN HB2 H 1 2.046 0.02 . 2 . . . . 41 GLN HB2 . 7304 1 249 . 1 1 41 41 GLN HG2 H 1 2.424 0.02 . 2 . . . . 41 GLN HG2 . 7304 1 250 . 1 1 41 41 GLN HE21 H 1 7.569 0.02 . 2 . . . . 41 GLN HE21 . 7304 1 251 . 1 1 41 41 GLN HE22 H 1 6.881 0.02 . 2 . . . . 41 GLN HE22 . 7304 1 252 . 1 1 42 42 ASP H H 1 8.655 0.02 . 1 . . . . 42 ASP H . 7304 1 253 . 1 1 42 42 ASP HA H 1 4.831 0.02 . 1 . . . . 42 ASP HA . 7304 1 254 . 1 1 42 42 ASP HB2 H 1 2.735 0.02 . 2 . . . . 42 ASP HB2 . 7304 1 255 . 1 1 42 42 ASP HB3 H 1 2.613 0.02 . 2 . . . . 42 ASP HB3 . 7304 1 256 . 1 1 43 43 ALA H H 1 7.521 0.02 . 1 . . . . 43 ALA H . 7304 1 257 . 1 1 43 43 ALA HA H 1 4.784 0.02 . 1 . . . . 43 ALA HA . 7304 1 258 . 1 1 43 43 ALA HB1 H 1 1.312 0.02 . 1 . . . . 43 ALA HB . 7304 1 259 . 1 1 43 43 ALA HB2 H 1 1.312 0.02 . 1 . . . . 43 ALA HB . 7304 1 260 . 1 1 43 43 ALA HB3 H 1 1.312 0.02 . 1 . . . . 43 ALA HB . 7304 1 261 . 1 1 44 44 ILE H H 1 8.896 0.02 . 1 . . . . 44 ILE H . 7304 1 262 . 1 1 44 44 ILE HA H 1 4.817 0.02 . 1 . . . . 44 ILE HA . 7304 1 263 . 1 1 44 44 ILE HB H 1 1.967 0.02 . 1 . . . . 44 ILE HB . 7304 1 264 . 1 1 44 44 ILE HG12 H 1 1.947 0.02 . 2 . . . . 44 ILE HG12 . 7304 1 265 . 1 1 44 44 ILE HG13 H 1 1.147 0.02 . 2 . . . . 44 ILE HG13 . 7304 1 266 . 1 1 44 44 ILE HG21 H 1 0.956 0.02 . 1 . . . . 44 ILE HG2 . 7304 1 267 . 1 1 44 44 ILE HG22 H 1 0.956 0.02 . 1 . . . . 44 ILE HG2 . 7304 1 268 . 1 1 44 44 ILE HG23 H 1 0.956 0.02 . 1 . . . . 44 ILE HG2 . 7304 1 269 . 1 1 44 44 ILE HD11 H 1 1.026 0.02 . 1 . . . . 44 ILE HD1 . 7304 1 270 . 1 1 44 44 ILE HD12 H 1 1.026 0.02 . 1 . . . . 44 ILE HD1 . 7304 1 271 . 1 1 44 44 ILE HD13 H 1 1.026 0.02 . 1 . . . . 44 ILE HD1 . 7304 1 272 . 1 1 45 45 SER H H 1 8.412 0.02 . 1 . . . . 45 SER H . 7304 1 273 . 1 1 45 45 SER HA H 1 5.054 0.02 . 1 . . . . 45 SER HA . 7304 1 274 . 1 1 45 45 SER HB2 H 1 3.553 0.02 . 2 . . . . 45 SER HB2 . 7304 1 275 . 1 1 46 46 CYS H H 1 8.499 0.02 . 1 . . . . 46 CYS H . 7304 1 276 . 1 1 46 46 CYS HA H 1 5.211 0.02 . 1 . . . . 46 CYS HA . 7304 1 277 . 1 1 46 46 CYS HB2 H 1 2.253 0.02 . 2 . . . . 46 CYS HB2 . 7304 1 278 . 1 1 46 46 CYS HB3 H 1 1.768 0.02 . 2 . . . . 46 CYS HB3 . 7304 1 279 . 1 1 47 47 CYS H H 1 8.653 0.02 . 1 . . . . 47 CYS H . 7304 1 280 . 1 1 47 47 CYS HA H 1 5.317 0.02 . 1 . . . . 47 CYS HA . 7304 1 281 . 1 1 47 47 CYS HB2 H 1 2.786 0.02 . 2 . . . . 47 CYS HB2 . 7304 1 282 . 1 1 47 47 CYS HB3 H 1 2.919 0.02 . 2 . . . . 47 CYS HB3 . 7304 1 283 . 1 1 48 48 ASN H H 1 8.395 0.02 . 1 . . . . 48 ASN H . 7304 1 284 . 1 1 48 48 ASN HA H 1 4.868 0.02 . 1 . . . . 48 ASN HA . 7304 1 285 . 1 1 48 48 ASN HB2 H 1 2.908 0.02 . 2 . . . . 48 ASN HB2 . 7304 1 286 . 1 1 48 48 ASN HB3 H 1 3.071 0.02 . 2 . . . . 48 ASN HB3 . 7304 1 287 . 1 1 48 48 ASN HD21 H 1 8.131 0.02 . 2 . . . . 48 ASN HD21 . 7304 1 288 . 1 1 48 48 ASN HD22 H 1 7.325 0.02 . 2 . . . . 48 ASN HD22 . 7304 1 289 . 1 1 49 49 THR H H 1 8.384 0.02 . 1 . . . . 49 THR H . 7304 1 290 . 1 1 49 49 THR HA H 1 4.423 0.02 . 1 . . . . 49 THR HA . 7304 1 291 . 1 1 49 49 THR HB H 1 4.359 0.02 . 1 . . . . 49 THR HB . 7304 1 292 . 1 1 49 49 THR HG21 H 1 1.046 0.02 . 1 . . . . 49 THR HG2 . 7304 1 293 . 1 1 49 49 THR HG22 H 1 1.046 0.02 . 1 . . . . 49 THR HG2 . 7304 1 294 . 1 1 49 49 THR HG23 H 1 1.046 0.02 . 1 . . . . 49 THR HG2 . 7304 1 295 . 1 1 50 50 ALA H H 1 7.951 0.02 . 1 . . . . 50 ALA H . 7304 1 296 . 1 1 50 50 ALA HA H 1 4.670 0.05 . 1 . . . . 50 ALA HA . 7304 1 297 . 1 1 50 50 ALA HB1 H 1 1.169 0.02 . 1 . . . . 50 ALA HB . 7304 1 298 . 1 1 50 50 ALA HB2 H 1 1.169 0.02 . 1 . . . . 50 ALA HB . 7304 1 299 . 1 1 50 50 ALA HB3 H 1 1.169 0.02 . 1 . . . . 50 ALA HB . 7304 1 300 . 1 1 51 51 ALA H H 1 8.386 0.02 . 1 . . . . 51 ALA H . 7304 1 301 . 1 1 51 51 ALA HA H 1 4.377 0.02 . 1 . . . . 51 ALA HA . 7304 1 302 . 1 1 51 51 ALA HB1 H 1 1.397 0.02 . 1 . . . . 51 ALA HB . 7304 1 303 . 1 1 51 51 ALA HB2 H 1 1.397 0.02 . 1 . . . . 51 ALA HB . 7304 1 304 . 1 1 51 51 ALA HB3 H 1 1.397 0.02 . 1 . . . . 51 ALA HB . 7304 1 305 . 1 1 52 52 ILE H H 1 8.992 0.02 . 1 . . . . 52 ILE H . 7304 1 306 . 1 1 52 52 ILE HA H 1 4.246 0.02 . 1 . . . . 52 ILE HA . 7304 1 307 . 1 1 52 52 ILE HB H 1 1.886 0.02 . 1 . . . . 52 ILE HB . 7304 1 308 . 1 1 52 52 ILE HG12 H 1 1.881 0.02 . 2 . . . . 52 ILE HG12 . 7304 1 309 . 1 1 52 52 ILE HG13 H 1 1.163 0.02 . 2 . . . . 52 ILE HG13 . 7304 1 310 . 1 1 52 52 ILE HG21 H 1 0.726 0.02 . 1 . . . . 52 ILE HG2 . 7304 1 311 . 1 1 52 52 ILE HG22 H 1 0.726 0.02 . 1 . . . . 52 ILE HG2 . 7304 1 312 . 1 1 52 52 ILE HG23 H 1 0.726 0.02 . 1 . . . . 52 ILE HG2 . 7304 1 313 . 1 1 52 52 ILE HD11 H 1 0.871 0.02 . 1 . . . . 52 ILE HD1 . 7304 1 314 . 1 1 52 52 ILE HD12 H 1 0.871 0.02 . 1 . . . . 52 ILE HD1 . 7304 1 315 . 1 1 52 52 ILE HD13 H 1 0.871 0.02 . 1 . . . . 52 ILE HD1 . 7304 1 316 . 1 1 53 53 PRO HA H 1 4.149 0.02 . 1 . . . . 53 PRO HA . 7304 1 317 . 1 1 53 53 PRO HB2 H 1 1.170 0.02 . 2 . . . . 53 PRO HB2 . 7304 1 318 . 1 1 53 53 PRO HG2 H 1 1.403 0.02 . 2 . . . . 53 PRO HG2 . 7304 1 319 . 1 1 53 53 PRO HG3 H 1 1.681 0.02 . 2 . . . . 53 PRO HG3 . 7304 1 320 . 1 1 53 53 PRO HD2 H 1 3.768 0.02 . 2 . . . . 53 PRO HD2 . 7304 1 321 . 1 1 53 53 PRO HD3 H 1 3.098 0.02 . 2 . . . . 53 PRO HD3 . 7304 1 322 . 1 1 54 54 THR H H 1 8.274 0.02 . 1 . . . . 54 THR H . 7304 1 323 . 1 1 54 54 THR HA H 1 4.508 0.02 . 1 . . . . 54 THR HA . 7304 1 324 . 1 1 54 54 THR HB H 1 3.956 0.02 . 1 . . . . 54 THR HB . 7304 1 325 . 1 1 54 54 THR HG21 H 1 0.907 0.02 . 1 . . . . 54 THR HG2 . 7304 1 326 . 1 1 54 54 THR HG22 H 1 0.907 0.02 . 1 . . . . 54 THR HG2 . 7304 1 327 . 1 1 54 54 THR HG23 H 1 0.907 0.02 . 1 . . . . 54 THR HG2 . 7304 1 328 . 1 1 55 55 GLY H H 1 8.154 0.02 . 1 . . . . 55 GLY H . 7304 1 329 . 1 1 55 55 GLY HA2 H 1 4.205 0.02 . 2 . . . . 55 GLY HA2 . 7304 1 330 . 1 1 55 55 GLY HA3 H 1 3.667 0.02 . 2 . . . . 55 GLY HA3 . 7304 1 331 . 1 1 56 56 TYR H H 1 6.936 0.02 . 1 . . . . 56 TYR H . 7304 1 332 . 1 1 56 56 TYR HA H 1 4.951 0.02 . 1 . . . . 56 TYR HA . 7304 1 333 . 1 1 56 56 TYR HB2 H 1 2.850 0.02 . 2 . . . . 56 TYR HB2 . 7304 1 334 . 1 1 56 56 TYR HD1 H 1 6.411 0.02 . 3 . . . . 56 TYR HD1 . 7304 1 335 . 1 1 56 56 TYR HE1 H 1 6.464 0.02 . 3 . . . . 56 TYR HE1 . 7304 1 336 . 1 1 57 57 ASP H H 1 8.687 0.02 . 1 . . . . 57 ASP H . 7304 1 337 . 1 1 57 57 ASP HA H 1 4.524 0.02 . 1 . . . . 57 ASP HA . 7304 1 338 . 1 1 57 57 ASP HB2 H 1 2.602 0.02 . 2 . . . . 57 ASP HB2 . 7304 1 339 . 1 1 57 57 ASP HB3 H 1 3.069 0.02 . 2 . . . . 57 ASP HB3 . 7304 1 340 . 1 1 58 58 THR H H 1 8.094 0.02 . 1 . . . . 58 THR H . 7304 1 341 . 1 1 58 58 THR HA H 1 4.216 0.02 . 1 . . . . 58 THR HA . 7304 1 342 . 1 1 58 58 THR HB H 1 4.406 0.02 . 1 . . . . 58 THR HB . 7304 1 343 . 1 1 58 58 THR HG21 H 1 0.940 0.02 . 1 . . . . 58 THR HG2 . 7304 1 344 . 1 1 58 58 THR HG22 H 1 0.940 0.02 . 1 . . . . 58 THR HG2 . 7304 1 345 . 1 1 58 58 THR HG23 H 1 0.940 0.02 . 1 . . . . 58 THR HG2 . 7304 1 346 . 1 1 59 59 ASN H H 1 8.500 0.02 . 1 . . . . 59 ASN H . 7304 1 347 . 1 1 59 59 ASN HA H 1 4.693 0.02 . 1 . . . . 59 ASN HA . 7304 1 348 . 1 1 59 59 ASN HB2 H 1 2.984 0.02 . 2 . . . . 59 ASN HB2 . 7304 1 349 . 1 1 59 59 ASN HB3 H 1 2.859 0.02 . 2 . . . . 59 ASN HB3 . 7304 1 350 . 1 1 59 59 ASN HD21 H 1 7.881 0.02 . 2 . . . . 59 ASN HD21 . 7304 1 351 . 1 1 59 59 ASN HD22 H 1 6.975 0.02 . 2 . . . . 59 ASN HD22 . 7304 1 352 . 1 1 60 60 LYS H H 1 7.613 0.02 . 1 . . . . 60 LYS H . 7304 1 353 . 1 1 60 60 LYS HA H 1 4.311 0.02 . 1 . . . . 60 LYS HA . 7304 1 354 . 1 1 60 60 LYS HB2 H 1 1.798 0.02 . 2 . . . . 60 LYS HB2 . 7304 1 355 . 1 1 60 60 LYS HG2 H 1 1.558 0.02 . 2 . . . . 60 LYS HG2 . 7304 1 356 . 1 1 60 60 LYS HG3 H 1 1.470 0.02 . 2 . . . . 60 LYS HG3 . 7304 1 357 . 1 1 60 60 LYS HD2 H 1 1.706 0.02 . 2 . . . . 60 LYS HD2 . 7304 1 358 . 1 1 60 60 LYS HE2 H 1 2.987 0.02 . 2 . . . . 60 LYS HE2 . 7304 1 359 . 1 1 61 61 CYS H H 1 8.311 0.02 . 1 . . . . 61 CYS H . 7304 1 360 . 1 1 61 61 CYS HA H 1 5.468 0.02 . 1 . . . . 61 CYS HA . 7304 1 361 . 1 1 61 61 CYS HB2 H 1 2.643 0.02 . 2 . . . . 61 CYS HB2 . 7304 1 362 . 1 1 61 61 CYS HB3 H 1 3.641 0.02 . 2 . . . . 61 CYS HB3 . 7304 1 363 . 1 1 62 62 GLN H H 1 9.446 0.02 . 1 . . . . 62 GLN H . 7304 1 364 . 1 1 62 62 GLN HA H 1 4.863 0.02 . 1 . . . . 62 GLN HA . 7304 1 365 . 1 1 62 62 GLN HB3 H 1 1.788 0.02 . 2 . . . . 62 GLN HB2 . 7304 1 366 . 1 1 62 62 GLN HG3 H 1 2.109 0.02 . 2 . . . . 62 GLN HG2 . 7304 1 367 . 1 1 62 62 GLN HE21 H 1 6.909 0.02 . 2 . . . . 62 GLN HE21 . 7304 1 368 . 1 1 62 62 GLN HE22 H 1 7.006 0.02 . 2 . . . . 62 GLN HE22 . 7304 1 369 . 1 1 63 63 LYS H H 1 8.398 0.02 . 1 . . . . 63 LYS H . 7304 1 370 . 1 1 63 63 LYS HA H 1 5.310 0.02 . 1 . . . . 63 LYS HA . 7304 1 371 . 1 1 63 63 LYS HB2 H 1 1.671 0.02 . 2 . . . . 63 LYS HB2 . 7304 1 372 . 1 1 63 63 LYS HD3 H 1 0.696 0.02 . 2 . . . . 63 LYS HD3 . 7304 1 373 . 1 1 64 64 ILE H H 1 9.143 0.02 . 1 . . . . 64 ILE H . 7304 1 374 . 1 1 64 64 ILE HA H 1 4.454 0.02 . 1 . . . . 64 ILE HA . 7304 1 375 . 1 1 64 64 ILE HB H 1 1.816 0.02 . 1 . . . . 64 ILE HB . 7304 1 376 . 1 1 64 64 ILE HG12 H 1 1.396 0.02 . 2 . . . . 64 ILE HG12 . 7304 1 377 . 1 1 64 64 ILE HG13 H 1 1.069 0.02 . 2 . . . . 64 ILE HG13 . 7304 1 378 . 1 1 64 64 ILE HG21 H 1 0.803 0.02 . 1 . . . . 64 ILE HG2 . 7304 1 379 . 1 1 64 64 ILE HG22 H 1 0.803 0.02 . 1 . . . . 64 ILE HG2 . 7304 1 380 . 1 1 64 64 ILE HG23 H 1 0.803 0.02 . 1 . . . . 64 ILE HG2 . 7304 1 381 . 1 1 64 64 ILE HD11 H 1 0.753 0.02 . 1 . . . . 64 ILE HD1 . 7304 1 382 . 1 1 64 64 ILE HD12 H 1 0.753 0.02 . 1 . . . . 64 ILE HD1 . 7304 1 383 . 1 1 64 64 ILE HD13 H 1 0.753 0.02 . 1 . . . . 64 ILE HD1 . 7304 1 384 . 1 1 65 65 LEU H H 1 8.884 0.02 . 1 . . . . 65 LEU H . 7304 1 385 . 1 1 65 65 LEU HA H 1 3.829 0.02 . 1 . . . . 65 LEU HA . 7304 1 386 . 1 1 65 65 LEU HB2 H 1 0.998 0.02 . 2 . . . . 65 LEU HB2 . 7304 1 387 . 1 1 65 65 LEU HB3 H 1 1.659 0.02 . 2 . . . . 65 LEU HB3 . 7304 1 388 . 1 1 65 65 LEU HG H 1 0.843 0.02 . 1 . . . . 65 LEU HG . 7304 1 389 . 1 1 65 65 LEU HD11 H 1 0.643 0.02 . 1 . . . . 65 LEU HD1 . 7304 1 390 . 1 1 65 65 LEU HD12 H 1 0.643 0.02 . 1 . . . . 65 LEU HD1 . 7304 1 391 . 1 1 65 65 LEU HD13 H 1 0.643 0.02 . 1 . . . . 65 LEU HD1 . 7304 1 392 . 1 1 65 65 LEU HD21 H 1 -0.068 0.02 . 1 . . . . 65 LEU HD2 . 7304 1 393 . 1 1 65 65 LEU HD22 H 1 -0.068 0.02 . 1 . . . . 65 LEU HD2 . 7304 1 394 . 1 1 65 65 LEU HD23 H 1 -0.068 0.02 . 1 . . . . 65 LEU HD2 . 7304 1 395 . 1 1 66 66 ASN H H 1 8.727 0.02 . 1 . . . . 66 ASN H . 7304 1 396 . 1 1 66 66 ASN HA H 1 4.776 0.02 . 1 . . . . 66 ASN HA . 7304 1 397 . 1 1 66 66 ASN HB2 H 1 2.703 0.02 . 2 . . . . 66 ASN HB2 . 7304 1 398 . 1 1 66 66 ASN HB3 H 1 3.243 0.02 . 2 . . . . 66 ASN HB3 . 7304 1 399 . 1 1 66 66 ASN HD21 H 1 7.432 0.02 . 2 . . . . 66 ASN HD21 . 7304 1 400 . 1 1 66 66 ASN HD22 H 1 6.971 0.02 . 2 . . . . 66 ASN HD22 . 7304 1 401 . 1 1 67 67 LYS H H 1 8.858 0.02 . 1 . . . . 67 LYS H . 7304 1 402 . 1 1 67 67 LYS HA H 1 3.905 0.02 . 1 . . . . 67 LYS HA . 7304 1 403 . 1 1 67 67 LYS HB2 H 1 2.021 0.02 . 2 . . . . 67 LYS HB2 . 7304 1 404 . 1 1 67 67 LYS HB3 H 1 1.730 0.02 . 2 . . . . 67 LYS HB3 . 7304 1 405 . 1 1 67 67 LYS HG2 H 1 1.285 0.02 . 2 . . . . 67 LYS HG2 . 7304 1 406 . 1 1 67 67 LYS HD2 H 1 1.483 0.02 . 2 . . . . 67 LYS HG3 . 7304 1 407 . 1 1 68 68 LYS H H 1 8.364 0.02 . 1 . . . . 68 LYS H . 7304 1 408 . 1 1 68 68 LYS HA H 1 4.231 0.02 . 1 . . . . 68 LYS HA . 7304 1 409 . 1 1 68 68 LYS HB2 H 1 1.999 0.02 . 2 . . . . 68 LYS HB2 . 7304 1 410 . 1 1 68 68 LYS HB3 H 1 1.926 0.02 . 2 . . . . 68 LYS HB3 . 7304 1 411 . 1 1 68 68 LYS HG2 H 1 1.399 0.02 . 2 . . . . 68 LYS HG2 . 7304 1 412 . 1 1 68 68 LYS HG3 H 1 1.518 0.02 . 2 . . . . 68 LYS HG3 . 7304 1 413 . 1 1 68 68 LYS HD2 H 1 1.710 0.02 . 2 . . . . 68 LYS HD2 . 7304 1 414 . 1 1 68 68 LYS HE2 H 1 3.006 0.02 . 2 . . . . 68 LYS HE2 . 7304 1 415 . 1 1 69 69 THR H H 1 7.131 0.02 . 1 . . . . 69 THR H . 7304 1 416 . 1 1 69 69 THR HA H 1 4.296 0.02 . 1 . . . . 69 THR HA . 7304 1 417 . 1 1 69 69 THR HB H 1 4.376 0.02 . 1 . . . . 69 THR HB . 7304 1 418 . 1 1 69 69 THR HG21 H 1 1.050 0.02 . 1 . . . . 69 THR HG1 . 7304 1 419 . 1 1 69 69 THR HG22 H 1 1.050 0.02 . 1 . . . . 69 THR HG1 . 7304 1 420 . 1 1 69 69 THR HG23 H 1 1.050 0.02 . 1 . . . . 69 THR HG1 . 7304 1 421 . 1 1 70 70 CYS H H 1 8.249 0.02 . 1 . . . . 70 CYS H . 7304 1 422 . 1 1 70 70 CYS HA H 1 4.239 0.02 . 1 . . . . 70 CYS HA . 7304 1 423 . 1 1 70 70 CYS HB2 H 1 2.918 0.02 . 2 . . . . 70 CYS HB2 . 7304 1 424 . 1 1 70 70 CYS HB3 H 1 3.011 0.02 . 2 . . . . 70 CYS HB3 . 7304 1 425 . 1 1 71 71 THR H H 1 7.360 0.02 . 1 . . . . 71 THR H . 7304 1 426 . 1 1 71 71 THR HA H 1 4.618 0.02 . 1 . . . . 71 THR HA . 7304 1 427 . 1 1 71 71 THR HB H 1 4.032 0.02 . 1 . . . . 71 THR HB . 7304 1 428 . 1 1 71 71 THR HG21 H 1 1.138 0.02 . 1 . . . . 71 THR HG2 . 7304 1 429 . 1 1 71 71 THR HG22 H 1 1.138 0.02 . 1 . . . . 71 THR HG2 . 7304 1 430 . 1 1 71 71 THR HG23 H 1 1.138 0.02 . 1 . . . . 71 THR HG2 . 7304 1 431 . 1 1 72 72 TYR H H 1 9.516 0.02 . 1 . . . . 72 TYR H . 7304 1 432 . 1 1 72 72 TYR HA H 1 5.425 0.02 . 1 . . . . 72 TYR HA . 7304 1 433 . 1 1 72 72 TYR HB2 H 1 2.774 0.02 . 2 . . . . 72 TYR HB2 . 7304 1 434 . 1 1 72 72 TYR HB3 H 1 3.125 0.02 . 2 . . . . 72 TYR HB3 . 7304 1 435 . 1 1 72 72 TYR HD1 H 1 7.140 0.02 . 3 . . . . 72 TYR HD1 . 7304 1 436 . 1 1 72 72 TYR HE1 H 1 6.756 0.02 . 3 . . . . 72 TYR HE1 . 7304 1 437 . 1 1 73 73 THR H H 1 8.736 0.02 . 1 . . . . 73 THR H . 7304 1 438 . 1 1 73 73 THR HA H 1 4.703 0.02 . 1 . . . . 73 THR HA . 7304 1 439 . 1 1 73 73 THR HB H 1 4.071 0.02 . 1 . . . . 73 THR HB . 7304 1 440 . 1 1 73 73 THR HG21 H 1 1.241 0.02 . 1 . . . . 73 THR HG2 . 7304 1 441 . 1 1 73 73 THR HG22 H 1 1.241 0.02 . 1 . . . . 73 THR HG2 . 7304 1 442 . 1 1 73 73 THR HG23 H 1 1.241 0.02 . 1 . . . . 73 THR HG2 . 7304 1 443 . 1 1 74 74 VAL H H 1 8.448 0.02 . 1 . . . . 74 VAL H . 7304 1 444 . 1 1 74 74 VAL HA H 1 4.746 0.02 . 1 . . . . 74 VAL HA . 7304 1 445 . 1 1 74 74 VAL HB H 1 1.632 0.02 . 1 . . . . 74 VAL HB . 7304 1 446 . 1 1 74 74 VAL HG11 H 1 0.235 0.02 . 1 . . . . 74 VAL HG1 . 7304 1 447 . 1 1 74 74 VAL HG12 H 1 0.235 0.02 . 1 . . . . 74 VAL HG1 . 7304 1 448 . 1 1 74 74 VAL HG13 H 1 0.235 0.02 . 1 . . . . 74 VAL HG1 . 7304 1 449 . 1 1 74 74 VAL HG21 H 1 0.030 0.02 . 1 . . . . 74 VAL HG2 . 7304 1 450 . 1 1 74 74 VAL HG22 H 1 0.030 0.02 . 1 . . . . 74 VAL HG2 . 7304 1 451 . 1 1 74 74 VAL HG23 H 1 0.030 0.02 . 1 . . . . 74 VAL HG2 . 7304 1 452 . 1 1 75 75 VAL H H 1 8.442 0.02 . 1 . . . . 75 VAL H . 7304 1 453 . 1 1 75 75 VAL HA H 1 5.279 0.02 . 1 . . . . 75 VAL HA . 7304 1 454 . 1 1 75 75 VAL HB H 1 2.303 0.02 . 1 . . . . 75 VAL HB . 7304 1 455 . 1 1 75 75 VAL HG11 H 1 0.796 0.02 . 1 . . . . 75 VAL HG1 . 7304 1 456 . 1 1 75 75 VAL HG12 H 1 0.796 0.02 . 1 . . . . 75 VAL HG1 . 7304 1 457 . 1 1 75 75 VAL HG13 H 1 0.796 0.02 . 1 . . . . 75 VAL HG1 . 7304 1 458 . 1 1 75 75 VAL HG21 H 1 0.758 0.02 . 1 . . . . 75 VAL HG2 . 7304 1 459 . 1 1 75 75 VAL HG22 H 1 0.758 0.02 . 1 . . . . 75 VAL HG2 . 7304 1 460 . 1 1 75 75 VAL HG23 H 1 0.758 0.02 . 1 . . . . 75 VAL HG2 . 7304 1 461 . 1 1 76 76 GLU H H 1 8.358 0.02 . 1 . . . . 76 GLU H . 7304 1 462 . 1 1 76 76 GLU HA H 1 4.356 0.02 . 1 . . . . 76 GLU HA . 7304 1 463 . 1 1 76 76 GLU HB2 H 1 2.421 0.02 . 2 . . . . 76 GLU HB2 . 7304 1 464 . 1 1 77 77 LYS H H 1 8.674 0.02 . 1 . . . . 77 LYS H . 7304 1 465 . 1 1 77 77 LYS HA H 1 3.882 0.02 . 1 . . . . 77 LYS HA . 7304 1 466 . 1 1 77 77 LYS HB2 H 1 1.828 0.02 . 2 . . . . 77 LYS HB2 . 7304 1 467 . 1 1 77 77 LYS HB3 H 1 1.571 0.02 . 2 . . . . 77 LYS HB3 . 7304 1 468 . 1 1 77 77 LYS HG3 H 1 1.214 0.02 . 2 . . . . 77 LYS HG2 . 7304 1 469 . 1 1 78 78 LYS H H 1 8.200 0.02 . 1 . . . . 78 LYS H . 7304 1 470 . 1 1 78 78 LYS HA H 1 4.259 0.02 . 1 . . . . 78 LYS HA . 7304 1 471 . 1 1 78 78 LYS HB2 H 1 1.931 0.02 . 2 . . . . 78 LYS HB2 . 7304 1 472 . 1 1 78 78 LYS HB3 H 1 1.813 0.02 . 2 . . . . 78 LYS HB3 . 7304 1 473 . 1 1 78 78 LYS HG2 H 1 1.456 0.02 . 2 . . . . 78 LYS HG2 . 7304 1 474 . 1 1 79 79 ASP H H 1 6.707 0.02 . 1 . . . . 79 ASP H . 7304 1 475 . 1 1 79 79 ASP HA H 1 4.879 0.02 . 1 . . . . 79 ASP HA . 7304 1 476 . 1 1 79 79 ASP HB2 H 1 2.487 0.02 . 2 . . . . 79 ASP HB2 . 7304 1 477 . 1 1 79 79 ASP HB3 H 1 2.929 0.02 . 2 . . . . 79 ASP HB3 . 7304 1 478 . 1 1 80 80 PRO HA H 1 4.573 0.02 . 1 . . . . 80 PRO HA . 7304 1 479 . 1 1 80 80 PRO HB2 H 1 2.279 0.02 . 2 . . . . 80 PRO HB2 . 7304 1 480 . 1 1 80 80 PRO HG2 H 1 1.963 0.02 . 2 . . . . 80 PRO HG2 . 7304 1 481 . 1 1 80 80 PRO HG3 H 1 1.956 0.02 . 2 . . . . 80 PRO HG3 . 7304 1 482 . 1 1 80 80 PRO HD2 H 1 3.479 0.02 . 2 . . . . 80 PRO HD2 . 7304 1 483 . 1 1 80 80 PRO HD3 H 1 3.808 0.02 . 2 . . . . 80 PRO HD3 . 7304 1 484 . 1 1 81 81 GLY H H 1 8.120 0.02 . 1 . . . . 81 GLY H . 7304 1 485 . 1 1 81 81 GLY HA2 H 1 3.666 0.02 . 2 . . . . 81 GLY HA2 . 7304 1 486 . 1 1 81 81 GLY HA3 H 1 4.160 0.02 . 2 . . . . 81 GLY HA3 . 7304 1 487 . 1 1 82 82 LYS H H 1 8.215 0.02 . 1 . . . . 82 LYS H . 7304 1 488 . 1 1 82 82 LYS HA H 1 4.64 0.05 . 1 . . . . 82 LYS HA . 7304 1 489 . 1 1 82 82 LYS HB2 H 1 1.718 0.02 . 2 . . . . 82 LYS HB2 . 7304 1 490 . 1 1 82 82 LYS HB3 H 1 1.86 0.05 . 2 . . . . 82 LYS HB3 . 7304 1 491 . 1 1 82 82 LYS HG2 H 1 1.373 0.02 . 2 . . . . 82 LYS HG2 . 7304 1 492 . 1 1 82 82 LYS HG3 H 1 1.325 0.02 . 2 . . . . 82 LYS HG3 . 7304 1 493 . 1 1 82 82 LYS HE2 H 1 3.03 0.05 . 2 . . . . 82 LYS HE2 . 7304 1 494 . 1 1 83 83 THR H H 1 8.126 0.02 . 1 . . . . 83 THR H . 7304 1 495 . 1 1 83 83 THR HA H 1 4.768 0.02 . 1 . . . . 83 THR HA . 7304 1 496 . 1 1 83 83 THR HB H 1 4.330 0.02 . 1 . . . . 83 THR HB . 7304 1 497 . 1 1 83 83 THR HG21 H 1 1.302 0.02 . 1 . . . . 83 THR HG2 . 7304 1 498 . 1 1 83 83 THR HG22 H 1 1.302 0.02 . 1 . . . . 83 THR HG2 . 7304 1 499 . 1 1 83 83 THR HG23 H 1 1.302 0.02 . 1 . . . . 83 THR HG2 . 7304 1 500 . 1 1 84 84 CYS H H 1 8.029 0.02 . 1 . . . . 84 CYS H . 7304 1 501 . 1 1 84 84 CYS HA H 1 4.908 0.02 . 1 . . . . 84 CYS HA . 7304 1 502 . 1 1 84 84 CYS HB2 H 1 3.038 0.02 . 2 . . . . 84 CYS HB2 . 7304 1 503 . 1 1 84 84 CYS HB3 H 1 3.254 0.02 . 2 . . . . 84 CYS HB3 . 7304 1 504 . 1 1 85 85 ASP H H 1 8.379 0.02 . 1 . . . . 85 ASP H . 7304 1 505 . 1 1 85 85 ASP HA H 1 4.534 0.02 . 1 . . . . 85 ASP HA . 7304 1 506 . 1 1 85 85 ASP HB2 H 1 2.631 0.02 . 2 . . . . 85 ASP HB2 . 7304 1 507 . 1 1 85 85 ASP HB3 H 1 2.522 0.02 . 2 . . . . 85 ASP HB3 . 7304 1 508 . 1 1 86 86 VAL H H 1 8.099 0.02 . 1 . . . . 86 VAL H . 7304 1 509 . 1 1 86 86 VAL HA H 1 4.214 0.02 . 1 . . . . 86 VAL HA . 7304 1 510 . 1 1 86 86 VAL HB H 1 2.013 0.02 . 1 . . . . 86 VAL HB . 7304 1 511 . 1 1 86 86 VAL HG11 H 1 0.454 0.02 . 1 . . . . 86 VAL HG1 . 7304 1 512 . 1 1 86 86 VAL HG12 H 1 0.454 0.02 . 1 . . . . 86 VAL HG1 . 7304 1 513 . 1 1 86 86 VAL HG13 H 1 0.454 0.02 . 1 . . . . 86 VAL HG1 . 7304 1 514 . 1 1 86 86 VAL HG21 H 1 0.636 0.02 . 1 . . . . 86 VAL HG2 . 7304 1 515 . 1 1 86 86 VAL HG22 H 1 0.636 0.02 . 1 . . . . 86 VAL HG2 . 7304 1 516 . 1 1 86 86 VAL HG23 H 1 0.636 0.02 . 1 . . . . 86 VAL HG2 . 7304 1 517 . 1 1 87 87 THR H H 1 8.182 0.02 . 1 . . . . 87 THR H . 7304 1 518 . 1 1 87 87 THR HA H 1 4.374 0.02 . 1 . . . . 87 THR HA . 7304 1 519 . 1 1 87 87 THR HB H 1 4.343 0.02 . 1 . . . . 87 THR HB . 7304 1 520 . 1 1 87 87 THR HG21 H 1 1.174 0.02 . 1 . . . . 87 THR HG2 . 7304 1 521 . 1 1 87 87 THR HG22 H 1 1.174 0.02 . 1 . . . . 87 THR HG2 . 7304 1 522 . 1 1 87 87 THR HG23 H 1 1.174 0.02 . 1 . . . . 87 THR HG2 . 7304 1 523 . 1 1 88 88 GLY H H 1 7.491 0.02 . 1 . . . . 88 GLY H . 7304 1 524 . 1 1 88 88 GLY HA2 H 1 3.760 0.02 . 2 . . . . 88 GLY HA2 . 7304 1 525 . 1 1 88 88 GLY HA3 H 1 4.178 0.02 . 2 . . . . 88 GLY HA3 . 7304 1 526 . 1 1 89 89 TRP H H 1 8.034 0.02 . 1 . . . . 89 TRP H . 7304 1 527 . 1 1 89 89 TRP HA H 1 5.194 0.02 . 1 . . . . 89 TRP HA . 7304 1 528 . 1 1 89 89 TRP HB2 H 1 2.867 0.02 . 2 . . . . 89 TRP HB2 . 7304 1 529 . 1 1 89 89 TRP HB3 H 1 2.967 0.02 . 2 . . . . 89 TRP HB3 . 7304 1 530 . 1 1 89 89 TRP HD1 H 1 7.095 0.02 . 1 . . . . 89 TRP HD1 . 7304 1 531 . 1 1 89 89 TRP HE1 H 1 10.117 0.02 . 1 . . . . 89 TRP HE1 . 7304 1 532 . 1 1 89 89 TRP HE3 H 1 7.257 0.02 . 1 . . . . 89 TRP HE3 . 7304 1 533 . 1 1 89 89 TRP HZ2 H 1 7.499 0.02 . 1 . . . . 89 TRP HZ2 . 7304 1 534 . 1 1 89 89 TRP HZ3 H 1 7.123 0.02 . 1 . . . . 89 TRP HZ3 . 7304 1 535 . 1 1 89 89 TRP HH2 H 1 7.199 0.02 . 1 . . . . 89 TRP HH2 . 7304 1 536 . 1 1 90 90 VAL H H 1 9.268 0.02 . 1 . . . . 90 VAL H . 7304 1 537 . 1 1 90 90 VAL HA H 1 4.405 0.02 . 1 . . . . 90 VAL HA . 7304 1 538 . 1 1 90 90 VAL HB H 1 2.079 0.02 . 1 . . . . 90 VAL HB . 7304 1 539 . 1 1 90 90 VAL HG11 H 1 0.922 0.02 . 1 . . . . 90 VAL HG1 . 7304 1 540 . 1 1 90 90 VAL HG12 H 1 0.922 0.02 . 1 . . . . 90 VAL HG1 . 7304 1 541 . 1 1 90 90 VAL HG13 H 1 0.922 0.02 . 1 . . . . 90 VAL HG1 . 7304 1 542 . 1 1 90 90 VAL HG21 H 1 0.855 0.02 . 1 . . . . 90 VAL HG2 . 7304 1 543 . 1 1 90 90 VAL HG22 H 1 0.855 0.02 . 1 . . . . 90 VAL HG2 . 7304 1 544 . 1 1 90 90 VAL HG23 H 1 0.855 0.02 . 1 . . . . 90 VAL HG2 . 7304 1 545 . 1 1 91 91 LEU H H 1 7.933 0.02 . 1 . . . . 91 LEU H . 7304 1 546 . 1 1 91 91 LEU HA H 1 4.365 0.02 . 1 . . . . 91 LEU HA . 7304 1 547 . 1 1 91 91 LEU HB2 H 1 1.520 0.02 . 2 . . . . 91 LEU HB2 . 7304 1 548 . 1 1 91 91 LEU HB3 H 1 1.623 0.02 . 2 . . . . 91 LEU HB3 . 7304 1 549 . 1 1 91 91 LEU HG H 1 1.603 0.02 . 1 . . . . 91 LEU HG . 7304 1 550 . 1 1 91 91 LEU HD11 H 1 0.825 0.02 . 1 . . . . 91 LEU HD1 . 7304 1 551 . 1 1 91 91 LEU HD12 H 1 0.825 0.02 . 1 . . . . 91 LEU HD1 . 7304 1 552 . 1 1 91 91 LEU HD13 H 1 0.825 0.02 . 1 . . . . 91 LEU HD1 . 7304 1 553 . 1 1 91 91 LEU HD21 H 1 0.863 0.02 . 1 . . . . 91 LEU HD2 . 7304 1 554 . 1 1 91 91 LEU HD22 H 1 0.863 0.02 . 1 . . . . 91 LEU HD2 . 7304 1 555 . 1 1 91 91 LEU HD23 H 1 0.863 0.02 . 1 . . . . 91 LEU HD2 . 7304 1 stop_ save_