data_7243 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7243 _Entry.Title ; beta-microseminoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-25 _Entry.Accession_date 2006-07-25 _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 . . . 7243 2 Kaare Teilum . . . 7243 3 Ylva Johnsson . . . 7243 4 Per Fernlund . . . 7243 5 Torbjorn Drakenberg . . . 7243 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7243 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 7243 '15N chemical shifts' 98 7243 '1H chemical shifts' 581 7243 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 . . 2008-07-16 2006-07-25 update BMRB 'complete entry citation' 7243 1 . . 2006-10-20 2006-07-25 original author 'original release' 7243 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2IZ4 'BMRB Entry Tracking System' 7243 . 7304 'proton shifts of the protein from natural source' 7243 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7243 _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 . . . 7243 1 2 Kaare Teilum . . . 7243 1 3 Ylva Johnsson . . . 7243 1 4 Per Fernlund . . . 7243 1 5 Torbjorn Drakenberg . . . 7243 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7243 _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 . . . 7243 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 5 5 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 7243 1 2 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . 7243 1 3 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . 7243 1 4 disulfide single . 1 . 1 CYS 40 40 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . 7243 1 5 disulfide single . 1 . 1 CYS 64 64 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 7243 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pMSP _Entity.Sf_category entity _Entity.Sf_framecode pMSP _Entity.Entry_ID 7243 _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 ; GGGQCYFIPNQSLKPNECQD LKGVSHPLNSVWKTKDCEEC TCGQDAISCCNTAAIPTGYD TNKCQKILNKKTCTYTVVEK KDPGKTCDVTGWVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _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 . . . . . 96.81 91 100.00 100.00 3.74e-58 . . . . 7243 1 2 no BMRB 7304 . pMSP . . . . . 96.81 91 100.00 100.00 3.74e-58 . . . . 7243 1 3 no PDB 1XHH . "Solution Structure Of Porcine Beta-Microseminoprotein" . . . . . 96.81 91 100.00 100.00 3.74e-58 . . . . 7243 1 4 no PDB 2IZ4 . "Solution Structure Of Human And Porcine Beta- Microseminoprotein" . . . . . 100.00 94 100.00 100.00 1.62e-60 . . . . 7243 1 5 no GB AAB50711 . "PSP94-like protein [Sus scrofa]" . . . . . 97.87 111 97.83 98.91 4.51e-58 . . . . 7243 1 6 no REF NP_999017 . "beta-microseminoprotein precursor [Sus scrofa]" . . . . . 97.87 111 97.83 98.91 4.51e-58 . . . . 7243 1 7 no SP O02826 . "RecName: Full=Beta-microseminoprotein; AltName: Full=Prostate secreted seminal plasma protein; AltName: Full=Prostate secretory" . . . . . 97.87 111 97.83 98.91 4.51e-58 . . . . 7243 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID beta-microseminoprotein . 7243 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 -2 GLY . 7243 1 2 -1 GLY . 7243 1 3 0 GLY . 7243 1 4 1 GLN . 7243 1 5 2 CYS . 7243 1 6 3 TYR . 7243 1 7 4 PHE . 7243 1 8 5 ILE . 7243 1 9 6 PRO . 7243 1 10 7 ASN . 7243 1 11 8 GLN . 7243 1 12 9 SER . 7243 1 13 10 LEU . 7243 1 14 11 LYS . 7243 1 15 12 PRO . 7243 1 16 13 ASN . 7243 1 17 14 GLU . 7243 1 18 15 CYS . 7243 1 19 16 GLN . 7243 1 20 17 ASP . 7243 1 21 18 LEU . 7243 1 22 19 LYS . 7243 1 23 20 GLY . 7243 1 24 21 VAL . 7243 1 25 22 SER . 7243 1 26 23 HIS . 7243 1 27 24 PRO . 7243 1 28 25 LEU . 7243 1 29 26 ASN . 7243 1 30 27 SER . 7243 1 31 28 VAL . 7243 1 32 29 TRP . 7243 1 33 30 LYS . 7243 1 34 31 THR . 7243 1 35 32 LYS . 7243 1 36 33 ASP . 7243 1 37 34 CYS . 7243 1 38 35 GLU . 7243 1 39 36 GLU . 7243 1 40 37 CYS . 7243 1 41 38 THR . 7243 1 42 39 CYS . 7243 1 43 40 GLY . 7243 1 44 41 GLN . 7243 1 45 42 ASP . 7243 1 46 43 ALA . 7243 1 47 44 ILE . 7243 1 48 45 SER . 7243 1 49 46 CYS . 7243 1 50 47 CYS . 7243 1 51 48 ASN . 7243 1 52 49 THR . 7243 1 53 50 ALA . 7243 1 54 51 ALA . 7243 1 55 52 ILE . 7243 1 56 53 PRO . 7243 1 57 54 THR . 7243 1 58 55 GLY . 7243 1 59 56 TYR . 7243 1 60 57 ASP . 7243 1 61 58 THR . 7243 1 62 59 ASN . 7243 1 63 60 LYS . 7243 1 64 61 CYS . 7243 1 65 62 GLN . 7243 1 66 63 LYS . 7243 1 67 64 ILE . 7243 1 68 65 LEU . 7243 1 69 66 ASN . 7243 1 70 67 LYS . 7243 1 71 68 LYS . 7243 1 72 69 THR . 7243 1 73 70 CYS . 7243 1 74 71 THR . 7243 1 75 72 TYR . 7243 1 76 73 THR . 7243 1 77 74 VAL . 7243 1 78 75 VAL . 7243 1 79 76 GLU . 7243 1 80 77 LYS . 7243 1 81 78 LYS . 7243 1 82 79 ASP . 7243 1 83 80 PRO . 7243 1 84 81 GLY . 7243 1 85 82 LYS . 7243 1 86 83 THR . 7243 1 87 84 CYS . 7243 1 88 85 ASP . 7243 1 89 86 VAL . 7243 1 90 87 THR . 7243 1 91 88 GLY . 7243 1 92 89 TRP . 7243 1 93 90 VAL . 7243 1 94 91 LEU . 7243 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 7243 1 . GLY 2 2 7243 1 . GLY 3 3 7243 1 . GLN 4 4 7243 1 . CYS 5 5 7243 1 . TYR 6 6 7243 1 . PHE 7 7 7243 1 . ILE 8 8 7243 1 . PRO 9 9 7243 1 . ASN 10 10 7243 1 . GLN 11 11 7243 1 . SER 12 12 7243 1 . LEU 13 13 7243 1 . LYS 14 14 7243 1 . PRO 15 15 7243 1 . ASN 16 16 7243 1 . GLU 17 17 7243 1 . CYS 18 18 7243 1 . GLN 19 19 7243 1 . ASP 20 20 7243 1 . LEU 21 21 7243 1 . LYS 22 22 7243 1 . GLY 23 23 7243 1 . VAL 24 24 7243 1 . SER 25 25 7243 1 . HIS 26 26 7243 1 . PRO 27 27 7243 1 . LEU 28 28 7243 1 . ASN 29 29 7243 1 . SER 30 30 7243 1 . VAL 31 31 7243 1 . TRP 32 32 7243 1 . LYS 33 33 7243 1 . THR 34 34 7243 1 . LYS 35 35 7243 1 . ASP 36 36 7243 1 . CYS 37 37 7243 1 . GLU 38 38 7243 1 . GLU 39 39 7243 1 . CYS 40 40 7243 1 . THR 41 41 7243 1 . CYS 42 42 7243 1 . GLY 43 43 7243 1 . GLN 44 44 7243 1 . ASP 45 45 7243 1 . ALA 46 46 7243 1 . ILE 47 47 7243 1 . SER 48 48 7243 1 . CYS 49 49 7243 1 . CYS 50 50 7243 1 . ASN 51 51 7243 1 . THR 52 52 7243 1 . ALA 53 53 7243 1 . ALA 54 54 7243 1 . ILE 55 55 7243 1 . PRO 56 56 7243 1 . THR 57 57 7243 1 . GLY 58 58 7243 1 . TYR 59 59 7243 1 . ASP 60 60 7243 1 . THR 61 61 7243 1 . ASN 62 62 7243 1 . LYS 63 63 7243 1 . CYS 64 64 7243 1 . GLN 65 65 7243 1 . LYS 66 66 7243 1 . ILE 67 67 7243 1 . LEU 68 68 7243 1 . ASN 69 69 7243 1 . LYS 70 70 7243 1 . LYS 71 71 7243 1 . THR 72 72 7243 1 . CYS 73 73 7243 1 . THR 74 74 7243 1 . TYR 75 75 7243 1 . THR 76 76 7243 1 . VAL 77 77 7243 1 . VAL 78 78 7243 1 . GLU 79 79 7243 1 . LYS 80 80 7243 1 . LYS 81 81 7243 1 . ASP 82 82 7243 1 . PRO 83 83 7243 1 . GLY 84 84 7243 1 . LYS 85 85 7243 1 . THR 86 86 7243 1 . CYS 87 87 7243 1 . ASP 88 88 7243 1 . VAL 89 89 7243 1 . THR 90 90 7243 1 . GLY 91 91 7243 1 . TRP 92 92 7243 1 . VAL 93 93 7243 1 . LEU 94 94 7243 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 7243 _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 'Sus scorfa' Porcine . . Eukaryota Metazoa sus scorfa 'seminal plasma' . . . . . . . . . . . . . . . . . . . . 7243 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 7243 _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 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7243 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7243 _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 . . . 7243 1 2 H2O . . . . . . . 90 . . % . . . . 7243 1 3 D2O . . . . . . . 10 . . % . . . . 7243 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7243 _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 [U-15N] . . 1 $pMSP . . . 3.4 4.2 mM . . . . 7243 2 2 H2O . . . . . . . 90 . . % . . . . 7243 2 3 D2O . . . . . . . 10 . . % . . . . 7243 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7243 _Sample.ID 3 _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 '[U-13C; U-15N]' . . 1 $pMSP . . . 3.4 4.2 mM . . . . 7243 3 2 H2O . . . . . . . 90 . . % . . . . 7243 3 3 D2O . . . . . . . 10 . . % . . . . 7243 3 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 7243 _Sample_condition_list.ID 1 _Sample_condition_list.Details '90% H2O/ 10% D2O' 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 7243 1 temperature 310 1 K 7243 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7243 _Software.ID 1 _Software.Name software_1 _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7243 _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 7243 _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 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7243 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7243 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7243 1 4 CbCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7243 1 5 2D-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7243 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7243 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N 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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7243 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7243 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_CbCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CbCACONH _NMR_spec_expt.Entry_ID 7243 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CbCACONH _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_2D-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D-TOCSY _NMR_spec_expt.Entry_ID 7243 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 2D-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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7243 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm . . . 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7243 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7243 1 N 15 DSS 'methyl protons' . . . . ppm . . . 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7243 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 7243 _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 7243 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 . . 7243 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 4 4 GLN H H 1 8.673 0.02 . 1 . . . . 1 GLN H . 7243 1 2 . 1 1 4 4 GLN HA H 1 4.486 0.02 . 1 . . . . 1 GLN HA . 7243 1 3 . 1 1 4 4 GLN HB2 H 1 2.131 0.02 . 2 . . . . 1 GLN HB2 . 7243 1 4 . 1 1 4 4 GLN HB3 H 1 2.207 0.02 . 2 . . . . 1 GLN HB3 . 7243 1 5 . 1 1 4 4 GLN HG2 H 1 2.400 0.02 . 2 . . . . 1 GLN HG2 . 7243 1 6 . 1 1 4 4 GLN HE21 H 1 7.641 0.02 . 2 . . . . 1 GLN HE21 . 7243 1 7 . 1 1 4 4 GLN HE22 H 1 6.712 0.02 . 2 . . . . 1 GLN HE22 . 7243 1 8 . 1 1 4 4 GLN C C 13 175.675 0.10 . 1 . . . . 1 GLN C . 7243 1 9 . 1 1 4 4 GLN CA C 13 55.960 0.10 . 1 . . . . 1 GLN CA . 7243 1 10 . 1 1 4 4 GLN CB C 13 28.758 0.10 . 1 . . . . 1 GLN CB . 7243 1 11 . 1 1 4 4 GLN CG C 13 33.960 0.10 . 1 . . . . 1 GLN CG . 7243 1 12 . 1 1 4 4 GLN CD C 13 180.487 0.10 . 1 . . . . 1 GLN CD . 7243 1 13 . 1 1 4 4 GLN N N 15 122.166 0.10 . 1 . . . . 1 GLN N . 7243 1 14 . 1 1 4 4 GLN NE2 N 15 112.971 0.10 . 1 . . . . 1 GLN NE2 . 7243 1 15 . 1 1 5 5 CYS H H 1 8.133 0.02 . 1 . . . . 2 CYS H . 7243 1 16 . 1 1 5 5 CYS HA H 1 5.697 0.02 . 1 . . . . 2 CYS HA . 7243 1 17 . 1 1 5 5 CYS HB2 H 1 2.516 0.02 . 2 . . . . 2 CYS HB2 . 7243 1 18 . 1 1 5 5 CYS HB3 H 1 2.860 0.02 . 2 . . . . 2 CYS HB3 . 7243 1 19 . 1 1 5 5 CYS C C 13 173.141 0.10 . 1 . . . . 2 CYS C . 7243 1 20 . 1 1 5 5 CYS CA C 13 55.913 0.10 . 1 . . . . 2 CYS CA . 7243 1 21 . 1 1 5 5 CYS CB C 13 48.375 0.10 . 1 . . . . 2 CYS CB . 7243 1 22 . 1 1 5 5 CYS N N 15 121.798 0.10 . 1 . . . . 2 CYS N . 7243 1 23 . 1 1 6 6 TYR H H 1 8.745 0.02 . 1 . . . . 3 TYR H . 7243 1 24 . 1 1 6 6 TYR HA H 1 4.754 0.02 . 1 . . . . 3 TYR HA . 7243 1 25 . 1 1 6 6 TYR HB2 H 1 2.918 0.02 . 2 . . . . 3 TYR HB2 . 7243 1 26 . 1 1 6 6 TYR HB3 H 1 3.060 0.02 . 2 . . . . 3 TYR HB3 . 7243 1 27 . 1 1 6 6 TYR HD1 H 1 6.862 0.02 . 3 . . . . 3 TYR HD1 . 7243 1 28 . 1 1 6 6 TYR HE1 H 1 6.648 0.02 . 3 . . . . 3 TYR HE1 . 7243 1 29 . 1 1 6 6 TYR C C 13 173.141 0.10 . 1 . . . . 3 TYR C . 7243 1 30 . 1 1 6 6 TYR CA C 13 55.976 0.10 . 1 . . . . 3 TYR CA . 7243 1 31 . 1 1 6 6 TYR CB C 13 40.314 0.10 . 1 . . . . 3 TYR CB . 7243 1 32 . 1 1 6 6 TYR N N 15 119.977 0.10 . 1 . . . . 3 TYR N . 7243 1 33 . 1 1 7 7 PHE H H 1 8.477 0.02 . 1 . . . . 4 PHE H . 7243 1 34 . 1 1 7 7 PHE HA H 1 5.656 0.02 . 1 . . . . 4 PHE HA . 7243 1 35 . 1 1 7 7 PHE HB2 H 1 2.835 0.02 . 2 . . . . 4 PHE HB2 . 7243 1 36 . 1 1 7 7 PHE HB3 H 1 2.872 0.02 . 2 . . . . 4 PHE HB3 . 7243 1 37 . 1 1 7 7 PHE HD1 H 1 7.150 0.02 . 3 . . . . 4 PHE HD1 . 7243 1 38 . 1 1 7 7 PHE HE1 H 1 7.287 0.02 . 3 . . . . 4 PHE HE1 . 7243 1 39 . 1 1 7 7 PHE HZ H 1 7.243 0.02 . 1 . . . . 4 PHE HZ . 7243 1 40 . 1 1 7 7 PHE C C 13 172.372 0.10 . 1 . . . . 4 PHE C . 7243 1 41 . 1 1 7 7 PHE CA C 13 56.286 0.10 . 1 . . . . 4 PHE CA . 7243 1 42 . 1 1 7 7 PHE CB C 13 42.092 0.10 . 1 . . . . 4 PHE CB . 7243 1 43 . 1 1 7 7 PHE N N 15 118.093 0.10 . 1 . . . . 4 PHE N . 7243 1 44 . 1 1 8 8 ILE H H 1 9.295 0.02 . 1 . . . . 5 ILE H . 7243 1 45 . 1 1 8 8 ILE HA H 1 4.788 0.02 . 1 . . . . 5 ILE HA . 7243 1 46 . 1 1 8 8 ILE HB H 1 1.936 0.02 . 1 . . . . 5 ILE HB . 7243 1 47 . 1 1 8 8 ILE HG12 H 1 1.263 0.02 . 2 . . . . 5 ILE HG12 . 7243 1 48 . 1 1 8 8 ILE HG13 H 1 1.627 0.02 . 2 . . . . 5 ILE HG13 . 7243 1 49 . 1 1 8 8 ILE HG21 H 1 1.140 0.02 . 1 . . . . 5 ILE HG2 . 7243 1 50 . 1 1 8 8 ILE HG22 H 1 1.140 0.02 . 1 . . . . 5 ILE HG2 . 7243 1 51 . 1 1 8 8 ILE HG23 H 1 1.140 0.02 . 1 . . . . 5 ILE HG2 . 7243 1 52 . 1 1 8 8 ILE HD11 H 1 1.065 0.02 . 1 . . . . 5 ILE HD1 . 7243 1 53 . 1 1 8 8 ILE HD12 H 1 1.065 0.02 . 1 . . . . 5 ILE HD1 . 7243 1 54 . 1 1 8 8 ILE HD13 H 1 1.065 0.02 . 1 . . . . 5 ILE HD1 . 7243 1 55 . 1 1 8 8 ILE CA C 13 58.111 0.10 . 1 . . . . 5 ILE CA . 7243 1 56 . 1 1 8 8 ILE N N 15 123.717 0.10 . 1 . . . . 5 ILE N . 7243 1 57 . 1 1 9 9 PRO HA H 1 4.483 0.02 . 1 . . . . 6 PRO HA . 7243 1 58 . 1 1 9 9 PRO HB2 H 1 1.864 0.02 . 2 . . . . 6 PRO HB2 . 7243 1 59 . 1 1 9 9 PRO HB3 H 1 2.421 0.02 . 2 . . . . 6 PRO HB3 . 7243 1 60 . 1 1 9 9 PRO HG2 H 1 2.059 0.02 . 2 . . . . 6 PRO HG2 . 7243 1 61 . 1 1 9 9 PRO HG3 H 1 2.154 0.02 . 2 . . . . 6 PRO HG3 . 7243 1 62 . 1 1 9 9 PRO HD2 H 1 3.815 0.02 . 2 . . . . 6 PRO HD2 . 7243 1 63 . 1 1 9 9 PRO HD3 H 1 3.927 0.02 . 2 . . . . 6 PRO HD3 . 7243 1 64 . 1 1 9 9 PRO C C 13 176.250 0.10 . 1 . . . . 6 PRO C . 7243 1 65 . 1 1 9 9 PRO CA C 13 63.231 0.10 . 1 . . . . 6 PRO CA . 7243 1 66 . 1 1 9 9 PRO CB C 13 32.118 0.10 . 1 . . . . 6 PRO CB . 7243 1 67 . 1 1 10 10 ASN H H 1 8.230 0.02 . 1 . . . . 7 ASN H . 7243 1 68 . 1 1 10 10 ASN HA H 1 4.753 0.02 . 1 . . . . 7 ASN HA . 7243 1 69 . 1 1 10 10 ASN HB2 H 1 2.476 0.02 . 2 . . . . 7 ASN HB2 . 7243 1 70 . 1 1 10 10 ASN HB3 H 1 3.091 0.02 . 2 . . . . 7 ASN HB3 . 7243 1 71 . 1 1 10 10 ASN HD21 H 1 7.561 0.02 . 2 . . . . 7 ASN HD21 . 7243 1 72 . 1 1 10 10 ASN HD22 H 1 7.231 0.02 . 2 . . . . 7 ASN HD22 . 7243 1 73 . 1 1 10 10 ASN C C 13 176.187 0.10 . 1 . . . . 7 ASN C . 7243 1 74 . 1 1 10 10 ASN CA C 13 53.189 0.10 . 1 . . . . 7 ASN CA . 7243 1 75 . 1 1 10 10 ASN CB C 13 38.333 0.10 . 1 . . . . 7 ASN CB . 7243 1 76 . 1 1 10 10 ASN CG C 13 175.756 0.10 . 1 . . . . 7 ASN CG . 7243 1 77 . 1 1 10 10 ASN N N 15 121.325 0.10 . 1 . . . . 7 ASN N . 7243 1 78 . 1 1 10 10 ASN ND2 N 15 114.668 0.10 . 1 . . . . 7 ASN ND2 . 7243 1 79 . 1 1 11 11 GLN H H 1 8.605 0.02 . 1 . . . . 8 GLN H . 7243 1 80 . 1 1 11 11 GLN HA H 1 4.411 0.02 . 1 . . . . 8 GLN HA . 7243 1 81 . 1 1 11 11 GLN HB2 H 1 2.276 0.02 . 2 . . . . 8 GLN HB2 . 7243 1 82 . 1 1 11 11 GLN HB3 H 1 1.812 0.02 . 2 . . . . 8 GLN HB3 . 7243 1 83 . 1 1 11 11 GLN HG2 H 1 2.245 0.02 . 2 . . . . 8 GLN HG2 . 7243 1 84 . 1 1 11 11 GLN HG3 H 1 2.384 0.02 . 2 . . . . 8 GLN HG3 . 7243 1 85 . 1 1 11 11 GLN HE21 H 1 7.450 0.02 . 2 . . . . 8 GLN HE21 . 7243 1 86 . 1 1 11 11 GLN HE22 H 1 6.950 0.02 . 2 . . . . 8 GLN HE22 . 7243 1 87 . 1 1 11 11 GLN C C 13 175.569 0.10 . 1 . . . . 8 GLN C . 7243 1 88 . 1 1 11 11 GLN CA C 13 55.224 0.10 . 1 . . . . 8 GLN CA . 7243 1 89 . 1 1 11 11 GLN CB C 13 29.277 0.10 . 1 . . . . 8 GLN CB . 7243 1 90 . 1 1 11 11 GLN CG C 13 34.075 0.10 . 1 . . . . 8 GLN CG . 7243 1 91 . 1 1 11 11 GLN CD C 13 180.221 0.10 . 1 . . . . 8 GLN CD . 7243 1 92 . 1 1 11 11 GLN N N 15 124.627 0.10 . 1 . . . . 8 GLN N . 7243 1 93 . 1 1 11 11 GLN NE2 N 15 113.744 0.10 . 1 . . . . 8 GLN NE2 . 7243 1 94 . 1 1 12 12 SER H H 1 7.832 0.02 . 1 . . . . 9 SER H . 7243 1 95 . 1 1 12 12 SER HA H 1 4.274 0.02 . 1 . . . . 9 SER HA . 7243 1 96 . 1 1 12 12 SER HB2 H 1 3.888 0.02 . 2 . . . . 9 SER HB2 . 7243 1 97 . 1 1 12 12 SER HB3 H 1 3.906 0.02 . 2 . . . . 9 SER HB3 . 7243 1 98 . 1 1 12 12 SER C C 13 175.263 0.10 . 1 . . . . 9 SER C . 7243 1 99 . 1 1 12 12 SER CA C 13 58.106 0.10 . 1 . . . . 9 SER CA . 7243 1 100 . 1 1 12 12 SER CB C 13 64.458 0.10 . 1 . . . . 9 SER CB . 7243 1 101 . 1 1 12 12 SER N N 15 113.801 0.10 . 1 . . . . 9 SER N . 7243 1 102 . 1 1 13 13 LEU H H 1 8.622 0.02 . 1 . . . . 10 LEU H . 7243 1 103 . 1 1 13 13 LEU HA H 1 4.378 0.02 . 1 . . . . 10 LEU HA . 7243 1 104 . 1 1 13 13 LEU HB2 H 1 1.672 0.02 . 2 . . . . 10 LEU HB2 . 7243 1 105 . 1 1 13 13 LEU HG H 1 1.675 0.02 . 1 . . . . 10 LEU HG . 7243 1 106 . 1 1 13 13 LEU HD11 H 1 0.927 0.02 . 1 . . . . 10 LEU HD1 . 7243 1 107 . 1 1 13 13 LEU HD12 H 1 0.927 0.02 . 1 . . . . 10 LEU HD1 . 7243 1 108 . 1 1 13 13 LEU HD13 H 1 0.927 0.02 . 1 . . . . 10 LEU HD1 . 7243 1 109 . 1 1 13 13 LEU HD21 H 1 0.868 0.02 . 1 . . . . 10 LEU HD2 . 7243 1 110 . 1 1 13 13 LEU HD22 H 1 0.868 0.02 . 1 . . . . 10 LEU HD2 . 7243 1 111 . 1 1 13 13 LEU HD23 H 1 0.868 0.02 . 1 . . . . 10 LEU HD2 . 7243 1 112 . 1 1 13 13 LEU C C 13 177.103 0.10 . 1 . . . . 10 LEU C . 7243 1 113 . 1 1 13 13 LEU CA C 13 55.380 0.10 . 1 . . . . 10 LEU CA . 7243 1 114 . 1 1 13 13 LEU CB C 13 41.937 0.10 . 1 . . . . 10 LEU CB . 7243 1 115 . 1 1 13 13 LEU N N 15 126.127 0.10 . 1 . . . . 10 LEU N . 7243 1 116 . 1 1 14 14 LYS H H 1 8.173 0.02 . 1 . . . . 11 LYS H . 7243 1 117 . 1 1 14 14 LYS HA H 1 4.629 0.02 . 1 . . . . 11 LYS HA . 7243 1 118 . 1 1 14 14 LYS HB2 H 1 1.753 0.02 . 2 . . . . 11 LYS HB2 . 7243 1 119 . 1 1 14 14 LYS HG2 H 1 1.377 0.02 . 2 . . . . 11 LYS HG2 . 7243 1 120 . 1 1 14 14 LYS HG3 H 1 1.327 0.02 . 2 . . . . 11 LYS HG3 . 7243 1 121 . 1 1 14 14 LYS HD2 H 1 1.519 0.02 . 2 . . . . 11 LYS HD2 . 7243 1 122 . 1 1 14 14 LYS HD3 H 1 1.587 0.02 . 2 . . . . 11 LYS HD3 . 7243 1 123 . 1 1 14 14 LYS HE2 H 1 2.915 0.02 . 2 . . . . 11 LYS HE2 . 7243 1 124 . 1 1 14 14 LYS CA C 13 53.491 0.10 . 1 . . . . 11 LYS CA . 7243 1 125 . 1 1 14 14 LYS N N 15 122.092 0.10 . 1 . . . . 11 LYS N . 7243 1 126 . 1 1 15 15 PRO HA H 1 4.444 0.02 . 1 . . . . 12 PRO HA . 7243 1 127 . 1 1 15 15 PRO HB2 H 1 1.909 0.02 . 2 . . . . 12 PRO HB2 . 7243 1 128 . 1 1 15 15 PRO HB3 H 1 2.272 0.02 . 2 . . . . 12 PRO HB3 . 7243 1 129 . 1 1 15 15 PRO HG2 H 1 1.918 0.02 . 2 . . . . 12 PRO HG2 . 7243 1 130 . 1 1 15 15 PRO HG3 H 1 2.006 0.02 . 2 . . . . 12 PRO HG3 . 7243 1 131 . 1 1 15 15 PRO HD2 H 1 3.833 0.02 . 2 . . . . 12 PRO HD2 . 7243 1 132 . 1 1 15 15 PRO HD3 H 1 3.658 0.02 . 2 . . . . 12 PRO HD3 . 7243 1 133 . 1 1 15 15 PRO C C 13 176.547 0.10 . 1 . . . . 12 PRO C . 7243 1 134 . 1 1 15 15 PRO CA C 13 63.355 0.10 . 1 . . . . 12 PRO CA . 7243 1 135 . 1 1 15 15 PRO CB C 13 32.269 0.10 . 1 . . . . 12 PRO CB . 7243 1 136 . 1 1 16 16 ASN H H 1 8.668 0.02 . 1 . . . . 13 ASN H . 7243 1 137 . 1 1 16 16 ASN HA H 1 4.440 0.02 . 1 . . . . 13 ASN HA . 7243 1 138 . 1 1 16 16 ASN HB2 H 1 2.949 0.02 . 2 . . . . 13 ASN HB2 . 7243 1 139 . 1 1 16 16 ASN HB3 H 1 3.024 0.02 . 2 . . . . 13 ASN HB3 . 7243 1 140 . 1 1 16 16 ASN HD21 H 1 7.500 0.02 . 2 . . . . 13 ASN HD21 . 7243 1 141 . 1 1 16 16 ASN HD22 H 1 6.833 0.02 . 2 . . . . 13 ASN HD22 . 7243 1 142 . 1 1 16 16 ASN C C 13 173.822 0.10 . 1 . . . . 13 ASN C . 7243 1 143 . 1 1 16 16 ASN CA C 13 54.151 0.10 . 1 . . . . 13 ASN CA . 7243 1 144 . 1 1 16 16 ASN CB C 13 37.517 0.10 . 1 . . . . 13 ASN CB . 7243 1 145 . 1 1 16 16 ASN CG C 13 177.687 0.10 . 1 . . . . 13 ASN CG . 7243 1 146 . 1 1 16 16 ASN N N 15 114.430 0.10 . 1 . . . . 13 ASN N . 7243 1 147 . 1 1 16 16 ASN ND2 N 15 113.570 0.10 . 1 . . . . 13 ASN ND2 . 7243 1 148 . 1 1 17 17 GLU H H 1 7.605 0.02 . 1 . . . . 14 GLU H . 7243 1 149 . 1 1 17 17 GLU HA H 1 4.879 0.02 . 1 . . . . 14 GLU HA . 7243 1 150 . 1 1 17 17 GLU HB2 H 1 1.708 0.02 . 2 . . . . 14 GLU HB2 . 7243 1 151 . 1 1 17 17 GLU HB3 H 1 1.941 0.02 . 2 . . . . 14 GLU HB3 . 7243 1 152 . 1 1 17 17 GLU HG2 H 1 2.021 0.02 . 2 . . . . 14 GLU HG2 . 7243 1 153 . 1 1 17 17 GLU HG3 H 1 1.995 0.02 . 2 . . . . 14 GLU HG3 . 7243 1 154 . 1 1 17 17 GLU C C 13 174.689 0.10 . 1 . . . . 14 GLU C . 7243 1 155 . 1 1 17 17 GLU CA C 13 55.419 0.10 . 1 . . . . 14 GLU CA . 7243 1 156 . 1 1 17 17 GLU CB C 13 33.873 0.10 . 1 . . . . 14 GLU CB . 7243 1 157 . 1 1 17 17 GLU N N 15 116.978 0.10 . 1 . . . . 14 GLU N . 7243 1 158 . 1 1 18 18 CYS H H 1 9.229 0.02 . 1 . . . . 15 CYS H . 7243 1 159 . 1 1 18 18 CYS HA H 1 5.241 0.02 . 1 . . . . 15 CYS HA . 7243 1 160 . 1 1 18 18 CYS HB2 H 1 2.779 0.02 . 2 . . . . 15 CYS HB2 . 7243 1 161 . 1 1 18 18 CYS HB3 H 1 3.001 0.02 . 2 . . . . 15 CYS HB3 . 7243 1 162 . 1 1 18 18 CYS C C 13 173.666 0.10 . 1 . . . . 15 CYS C . 7243 1 163 . 1 1 18 18 CYS CA C 13 56.430 0.10 . 1 . . . . 15 CYS CA . 7243 1 164 . 1 1 18 18 CYS CB C 13 43.400 0.10 . 1 . . . . 15 CYS CB . 7243 1 165 . 1 1 18 18 CYS N N 15 116.527 0.10 . 1 . . . . 15 CYS N . 7243 1 166 . 1 1 19 19 GLN H H 1 8.362 0.02 . 1 . . . . 16 GLN H . 7243 1 167 . 1 1 19 19 GLN HA H 1 5.051 0.02 . 1 . . . . 16 GLN HA . 7243 1 168 . 1 1 19 19 GLN HB2 H 1 1.934 0.02 . 2 . . . . 16 GLN HB2 . 7243 1 169 . 1 1 19 19 GLN HB3 H 1 1.819 0.02 . 2 . . . . 16 GLN HB3 . 7243 1 170 . 1 1 19 19 GLN HG2 H 1 1.939 0.02 . 2 . . . . 16 GLN HG2 . 7243 1 171 . 1 1 19 19 GLN HG3 H 1 2.302 0.02 . 2 . . . . 16 GLN HG3 . 7243 1 172 . 1 1 19 19 GLN HE21 H 1 7.506 0.02 . 2 . . . . 16 GLN HE21 . 7243 1 173 . 1 1 19 19 GLN HE22 H 1 6.721 0.02 . 2 . . . . 16 GLN HE22 . 7243 1 174 . 1 1 19 19 GLN C C 13 174.876 0.10 . 1 . . . . 16 GLN C . 7243 1 175 . 1 1 19 19 GLN CA C 13 54.895 0.10 . 1 . . . . 16 GLN CA . 7243 1 176 . 1 1 19 19 GLN CB C 13 31.799 0.10 . 1 . . . . 16 GLN CB . 7243 1 177 . 1 1 19 19 GLN CG C 13 34.065 0.10 . 1 . . . . 16 GLN CG . 7243 1 178 . 1 1 19 19 GLN CD C 13 179.165 0.10 . 1 . . . . 16 GLN CD . 7243 1 179 . 1 1 19 19 GLN N N 15 123.125 0.10 . 1 . . . . 16 GLN N . 7243 1 180 . 1 1 19 19 GLN NE2 N 15 111.980 0.10 . 1 . . . . 16 GLN NE2 . 7243 1 181 . 1 1 20 20 ASP H H 1 8.349 0.02 . 1 . . . . 17 ASP H . 7243 1 182 . 1 1 20 20 ASP HA H 1 4.681 0.02 . 1 . . . . 17 ASP HA . 7243 1 183 . 1 1 20 20 ASP HB2 H 1 2.466 0.02 . 2 . . . . 17 ASP HB2 . 7243 1 184 . 1 1 20 20 ASP HB3 H 1 3.716 0.02 . 2 . . . . 17 ASP HB3 . 7243 1 185 . 1 1 20 20 ASP C C 13 177.165 0.10 . 1 . . . . 17 ASP C . 7243 1 186 . 1 1 20 20 ASP CA C 13 52.607 0.10 . 1 . . . . 17 ASP CA . 7243 1 187 . 1 1 20 20 ASP CB C 13 41.969 0.10 . 1 . . . . 17 ASP CB . 7243 1 188 . 1 1 20 20 ASP N N 15 124.849 0.10 . 1 . . . . 17 ASP N . 7243 1 189 . 1 1 21 21 LEU H H 1 8.277 0.02 . 1 . . . . 18 LEU H . 7243 1 190 . 1 1 21 21 LEU HA H 1 4.207 0.02 . 1 . . . . 18 LEU HA . 7243 1 191 . 1 1 21 21 LEU HB2 H 1 1.728 0.02 . 2 . . . . 18 LEU HB2 . 7243 1 192 . 1 1 21 21 LEU HB3 H 1 1.844 0.02 . 2 . . . . 18 LEU HB3 . 7243 1 193 . 1 1 21 21 LEU HG H 1 1.825 0.02 . 1 . . . . 18 LEU HG . 7243 1 194 . 1 1 21 21 LEU HD11 H 1 1.041 0.02 . 1 . . . . 18 LEU HD1 . 7243 1 195 . 1 1 21 21 LEU HD12 H 1 1.041 0.02 . 1 . . . . 18 LEU HD1 . 7243 1 196 . 1 1 21 21 LEU HD13 H 1 1.041 0.02 . 1 . . . . 18 LEU HD1 . 7243 1 197 . 1 1 21 21 LEU HD21 H 1 0.958 0.02 . 1 . . . . 18 LEU HD2 . 7243 1 198 . 1 1 21 21 LEU HD22 H 1 0.958 0.02 . 1 . . . . 18 LEU HD2 . 7243 1 199 . 1 1 21 21 LEU HD23 H 1 0.958 0.02 . 1 . . . . 18 LEU HD2 . 7243 1 200 . 1 1 21 21 LEU C C 13 178.263 0.10 . 1 . . . . 18 LEU C . 7243 1 201 . 1 1 21 21 LEU CA C 13 57.285 0.10 . 1 . . . . 18 LEU CA . 7243 1 202 . 1 1 21 21 LEU CB C 13 41.359 0.10 . 1 . . . . 18 LEU CB . 7243 1 203 . 1 1 21 21 LEU CG C 13 27.62 0.10 . 1 . . . . 18 LEU CG . 7243 1 204 . 1 1 21 21 LEU CD1 C 13 25.45 0.10 . 2 . . . . 18 LEU CD1 . 7243 1 205 . 1 1 21 21 LEU CD2 C 13 23.10 0.10 . 2 . . . . 18 LEU CD2 . 7243 1 206 . 1 1 21 21 LEU N N 15 116.84 0.10 . 1 . . . . 18 LEU N . 7243 1 207 . 1 1 22 22 LYS H H 1 8.261 0.02 . 1 . . . . 19 LYS H . 7243 1 208 . 1 1 22 22 LYS HA H 1 4.448 0.02 . 1 . . . . 19 LYS HA . 7243 1 209 . 1 1 22 22 LYS HB2 H 1 2.046 0.02 . 2 . . . . 19 LYS HB2 . 7243 1 210 . 1 1 22 22 LYS HB3 H 1 1.915 0.02 . 2 . . . . 19 LYS HB3 . 7243 1 211 . 1 1 22 22 LYS HG2 H 1 1.414 0.02 . 2 . . . . 19 LYS HG2 . 7243 1 212 . 1 1 22 22 LYS HG3 H 1 1.516 0.02 . 2 . . . . 19 LYS HG3 . 7243 1 213 . 1 1 22 22 LYS HD2 H 1 1.694 0.02 . 2 . . . . 19 LYS HD2 . 7243 1 214 . 1 1 22 22 LYS HE2 H 1 3.012 0.02 . 2 . . . . 19 LYS HE2 . 7243 1 215 . 1 1 22 22 LYS C C 13 176.688 0.10 . 1 . . . . 19 LYS C . 7243 1 216 . 1 1 22 22 LYS CA C 13 55.280 0.10 . 1 . . . . 19 LYS CA . 7243 1 217 . 1 1 22 22 LYS CB C 13 32.141 0.10 . 1 . . . . 19 LYS CB . 7243 1 218 . 1 1 22 22 LYS N N 15 118.841 0.10 . 1 . . . . 19 LYS N . 7243 1 219 . 1 1 23 23 GLY H H 1 7.943 0.02 . 1 . . . . 20 GLY H . 7243 1 220 . 1 1 23 23 GLY HA2 H 1 3.549 0.02 . 2 . . . . 20 GLY HA2 . 7243 1 221 . 1 1 23 23 GLY HA3 H 1 4.158 0.02 . 2 . . . . 20 GLY HA3 . 7243 1 222 . 1 1 23 23 GLY C C 13 173.693 0.10 . 1 . . . . 20 GLY C . 7243 1 223 . 1 1 23 23 GLY CA C 13 45.362 0.10 . 1 . . . . 20 GLY CA . 7243 1 224 . 1 1 23 23 GLY N N 15 108.446 0.10 . 1 . . . . 20 GLY N . 7243 1 225 . 1 1 24 24 VAL H H 1 8.081 0.02 . 1 . . . . 21 VAL H . 7243 1 226 . 1 1 24 24 VAL HA H 1 3.749 0.02 . 1 . . . . 21 VAL HA . 7243 1 227 . 1 1 24 24 VAL HB H 1 2.256 0.02 . 1 . . . . 21 VAL HB . 7243 1 228 . 1 1 24 24 VAL HG11 H 1 0.778 0.02 . 1 . . . . 21 VAL HG1 . 7243 1 229 . 1 1 24 24 VAL HG12 H 1 0.778 0.02 . 1 . . . . 21 VAL HG1 . 7243 1 230 . 1 1 24 24 VAL HG13 H 1 0.778 0.02 . 1 . . . . 21 VAL HG1 . 7243 1 231 . 1 1 24 24 VAL HG21 H 1 0.386 0.02 . 1 . . . . 21 VAL HG2 . 7243 1 232 . 1 1 24 24 VAL HG22 H 1 0.386 0.02 . 1 . . . . 21 VAL HG2 . 7243 1 233 . 1 1 24 24 VAL HG23 H 1 0.386 0.02 . 1 . . . . 21 VAL HG2 . 7243 1 234 . 1 1 24 24 VAL C C 13 175.495 0.10 . 1 . . . . 21 VAL C . 7243 1 235 . 1 1 24 24 VAL CA C 13 62.741 0.10 . 1 . . . . 21 VAL CA . 7243 1 236 . 1 1 24 24 VAL CB C 13 31.318 0.10 . 1 . . . . 21 VAL CB . 7243 1 237 . 1 1 24 24 VAL CG1 C 13 22.07 0.10 . 2 . . . . 21 VAL CG1 . 7243 1 238 . 1 1 24 24 VAL CG2 C 13 21.06 0.10 . 2 . . . . 21 VAL CG2 . 7243 1 239 . 1 1 24 24 VAL N N 15 125.203 0.10 . 1 . . . . 21 VAL N . 7243 1 240 . 1 1 25 25 SER H H 1 8.204 0.02 . 1 . . . . 22 SER H . 7243 1 241 . 1 1 25 25 SER HA H 1 4.987 0.02 . 1 . . . . 22 SER HA . 7243 1 242 . 1 1 25 25 SER HB2 H 1 3.564 0.02 . 2 . . . . 22 SER HB2 . 7243 1 243 . 1 1 25 25 SER C C 13 173.340 0.10 . 1 . . . . 22 SER C . 7243 1 244 . 1 1 25 25 SER CA C 13 57.898 0.10 . 1 . . . . 22 SER CA . 7243 1 245 . 1 1 25 25 SER CB C 13 64.320 0.10 . 1 . . . . 22 SER CB . 7243 1 246 . 1 1 25 25 SER N N 15 123.412 0.10 . 1 . . . . 22 SER N . 7243 1 247 . 1 1 26 26 HIS H H 1 8.627 0.02 . 1 . . . . 23 HIS H . 7243 1 248 . 1 1 26 26 HIS HA H 1 4.717 0.02 . 1 . . . . 23 HIS HA . 7243 1 249 . 1 1 26 26 HIS HB2 H 1 2.226 0.02 . 2 . . . . 23 HIS HB2 . 7243 1 250 . 1 1 26 26 HIS HB3 H 1 2.771 0.02 . 2 . . . . 23 HIS HB3 . 7243 1 251 . 1 1 26 26 HIS HD2 H 1 6.276 0.02 . 1 . . . . 23 HIS HD2 . 7243 1 252 . 1 1 26 26 HIS HE1 H 1 7.337 0.02 . 1 . . . . 23 HIS HE1 . 7243 1 253 . 1 1 26 26 HIS CA C 13 52.425 0.10 . 1 . . . . 23 HIS CA . 7243 1 254 . 1 1 26 26 HIS N N 15 121.464 0.10 . 1 . . . . 23 HIS N . 7243 1 255 . 1 1 27 27 PRO HA H 1 4.634 0.02 . 1 . . . . 24 PRO HA . 7243 1 256 . 1 1 27 27 PRO HB2 H 1 1.93 0.02 . 2 . . . . 24 PRO HB2 . 7243 1 257 . 1 1 27 27 PRO HG2 H 1 2.08 0.02 . 2 . . . . 24 PRO HG2 . 7243 1 258 . 1 1 27 27 PRO HD2 H 1 3.835 0.02 . 2 . . . . 24 PRO HD2 . 7243 1 259 . 1 1 27 27 PRO HD3 H 1 3.719 0.02 . 2 . . . . 24 PRO HD3 . 7243 1 260 . 1 1 27 27 PRO C C 13 177.510 0.10 . 1 . . . . 24 PRO C . 7243 1 261 . 1 1 27 27 PRO CA C 13 62.680 0.10 . 1 . . . . 24 PRO CA . 7243 1 262 . 1 1 27 27 PRO CB C 13 32.967 0.10 . 1 . . . . 24 PRO CB . 7243 1 263 . 1 1 27 27 PRO CD C 13 51.08 0.10 . 1 . . . . 24 PRO CD . 7243 1 264 . 1 1 28 28 LEU H H 1 7.884 0.02 . 1 . . . . 25 LEU H . 7243 1 265 . 1 1 28 28 LEU HA H 1 3.936 0.02 . 1 . . . . 25 LEU HA . 7243 1 266 . 1 1 28 28 LEU HB2 H 1 1.296 0.02 . 2 . . . . 25 LEU HB2 . 7243 1 267 . 1 1 28 28 LEU HB3 H 1 1.580 0.02 . 2 . . . . 25 LEU HB3 . 7243 1 268 . 1 1 28 28 LEU HG H 1 1.526 0.02 . 1 . . . . 25 LEU HG . 7243 1 269 . 1 1 28 28 LEU HD11 H 1 0.866 0.02 . 1 . . . . 25 LEU HD1 . 7243 1 270 . 1 1 28 28 LEU HD12 H 1 0.866 0.02 . 1 . . . . 25 LEU HD1 . 7243 1 271 . 1 1 28 28 LEU HD13 H 1 0.866 0.02 . 1 . . . . 25 LEU HD1 . 7243 1 272 . 1 1 28 28 LEU HD21 H 1 0.818 0.02 . 1 . . . . 25 LEU HD2 . 7243 1 273 . 1 1 28 28 LEU HD22 H 1 0.818 0.02 . 1 . . . . 25 LEU HD2 . 7243 1 274 . 1 1 28 28 LEU HD23 H 1 0.818 0.02 . 1 . . . . 25 LEU HD2 . 7243 1 275 . 1 1 28 28 LEU C C 13 176.909 0.10 . 1 . . . . 25 LEU C . 7243 1 276 . 1 1 28 28 LEU CA C 13 57.529 0.10 . 1 . . . . 25 LEU CA . 7243 1 277 . 1 1 28 28 LEU CB C 13 42.108 0.10 . 1 . . . . 25 LEU CB . 7243 1 278 . 1 1 28 28 LEU CG C 13 26.92 0.10 . 1 . . . . 25 LEU CG . 7243 1 279 . 1 1 28 28 LEU CD1 C 13 25.34 0.10 . 2 . . . . 25 LEU CD1 . 7243 1 280 . 1 1 28 28 LEU CD2 C 13 23.84 0.10 . 2 . . . . 25 LEU CD2 . 7243 1 281 . 1 1 28 28 LEU N N 15 125.079 0.10 . 1 . . . . 25 LEU N . 7243 1 282 . 1 1 29 29 ASN H H 1 8.782 0.02 . 1 . . . . 26 ASN H . 7243 1 283 . 1 1 29 29 ASN HA H 1 4.437 0.02 . 1 . . . . 26 ASN HA . 7243 1 284 . 1 1 29 29 ASN HB2 H 1 3.043 0.02 . 2 . . . . 26 ASN HB2 . 7243 1 285 . 1 1 29 29 ASN HB3 H 1 3.284 0.02 . 2 . . . . 26 ASN HB3 . 7243 1 286 . 1 1 29 29 ASN HD21 H 1 7.574 0.02 . 2 . . . . 26 ASN HD21 . 7243 1 287 . 1 1 29 29 ASN HD22 H 1 6.907 0.02 . 2 . . . . 26 ASN HD22 . 7243 1 288 . 1 1 29 29 ASN C C 13 174.036 0.10 . 1 . . . . 26 ASN C . 7243 1 289 . 1 1 29 29 ASN CA C 13 55.766 0.10 . 1 . . . . 26 ASN CA . 7243 1 290 . 1 1 29 29 ASN CB C 13 37.150 0.10 . 1 . . . . 26 ASN CB . 7243 1 291 . 1 1 29 29 ASN CG C 13 177.569 0.10 . 1 . . . . 26 ASN CG . 7243 1 292 . 1 1 29 29 ASN N N 15 118.693 0.10 . 1 . . . . 26 ASN N . 7243 1 293 . 1 1 29 29 ASN ND2 N 15 113.616 0.10 . 1 . . . . 26 ASN ND2 . 7243 1 294 . 1 1 30 30 SER H H 1 8.081 0.02 . 1 . . . . 27 SER H . 7243 1 295 . 1 1 30 30 SER HA H 1 4.598 0.02 . 1 . . . . 27 SER HA . 7243 1 296 . 1 1 30 30 SER HB2 H 1 4.033 0.02 . 2 . . . . 27 SER HB2 . 7243 1 297 . 1 1 30 30 SER HB3 H 1 4.242 0.02 . 2 . . . . 27 SER HB3 . 7243 1 298 . 1 1 30 30 SER C C 13 172.287 0.10 . 1 . . . . 27 SER C . 7243 1 299 . 1 1 30 30 SER CA C 13 59.140 0.10 . 1 . . . . 27 SER CA . 7243 1 300 . 1 1 30 30 SER CB C 13 65.476 0.10 . 1 . . . . 27 SER CB . 7243 1 301 . 1 1 30 30 SER N N 15 115.866 0.10 . 1 . . . . 27 SER N . 7243 1 302 . 1 1 31 31 VAL H H 1 8.192 0.02 . 1 . . . . 28 VAL H . 7243 1 303 . 1 1 31 31 VAL HA H 1 5.354 0.02 . 1 . . . . 28 VAL HA . 7243 1 304 . 1 1 31 31 VAL HB H 1 1.830 0.02 . 1 . . . . 28 VAL HB . 7243 1 305 . 1 1 31 31 VAL HG11 H 1 0.907 0.02 . 1 . . . . 28 VAL HG1 . 7243 1 306 . 1 1 31 31 VAL HG12 H 1 0.907 0.02 . 1 . . . . 28 VAL HG1 . 7243 1 307 . 1 1 31 31 VAL HG13 H 1 0.907 0.02 . 1 . . . . 28 VAL HG1 . 7243 1 308 . 1 1 31 31 VAL HG21 H 1 0.764 0.02 . 1 . . . . 28 VAL HG2 . 7243 1 309 . 1 1 31 31 VAL HG22 H 1 0.764 0.02 . 1 . . . . 28 VAL HG2 . 7243 1 310 . 1 1 31 31 VAL HG23 H 1 0.764 0.02 . 1 . . . . 28 VAL HG2 . 7243 1 311 . 1 1 31 31 VAL C C 13 176.134 0.10 . 1 . . . . 28 VAL C . 7243 1 312 . 1 1 31 31 VAL CA C 13 60.358 0.10 . 1 . . . . 28 VAL CA . 7243 1 313 . 1 1 31 31 VAL CB C 13 35.103 0.10 . 1 . . . . 28 VAL CB . 7243 1 314 . 1 1 31 31 VAL CG1 C 13 21.21 0.10 . 2 . . . . 28 VAL CG1 . 7243 1 315 . 1 1 31 31 VAL CG2 C 13 21.18 0.10 . 2 . . . . 28 VAL CG2 . 7243 1 316 . 1 1 31 31 VAL N N 15 120.162 0.10 . 1 . . . . 28 VAL N . 7243 1 317 . 1 1 32 32 TRP H H 1 8.995 0.02 . 1 . . . . 29 TRP H . 7243 1 318 . 1 1 32 32 TRP HA H 1 5.127 0.02 . 1 . . . . 29 TRP HA . 7243 1 319 . 1 1 32 32 TRP HB2 H 1 3.238 0.02 . 2 . . . . 29 TRP HB2 . 7243 1 320 . 1 1 32 32 TRP HB3 H 1 3.369 0.02 . 2 . . . . 29 TRP HB3 . 7243 1 321 . 1 1 32 32 TRP HD1 H 1 6.805 0.02 . 1 . . . . 29 TRP HD1 . 7243 1 322 . 1 1 32 32 TRP HE1 H 1 10.069 0.02 . 1 . . . . 29 TRP HE1 . 7243 1 323 . 1 1 32 32 TRP HE3 H 1 7.012 0.02 . 1 . . . . 29 TRP HE3 . 7243 1 324 . 1 1 32 32 TRP HZ2 H 1 6.781 0.02 . 1 . . . . 29 TRP HZ2 . 7243 1 325 . 1 1 32 32 TRP HZ3 H 1 6.668 0.02 . 1 . . . . 29 TRP HZ3 . 7243 1 326 . 1 1 32 32 TRP HH2 H 1 6.286 0.02 . 1 . . . . 29 TRP HH2 . 7243 1 327 . 1 1 32 32 TRP C C 13 172.432 0.10 . 1 . . . . 29 TRP C . 7243 1 328 . 1 1 32 32 TRP CA C 13 56.634 0.10 . 1 . . . . 29 TRP CA . 7243 1 329 . 1 1 32 32 TRP CB C 13 31.969 0.10 . 1 . . . . 29 TRP CB . 7243 1 330 . 1 1 32 32 TRP N N 15 127.779 0.10 . 1 . . . . 29 TRP N . 7243 1 331 . 1 1 32 32 TRP NE1 N 15 129.294 0.10 . 1 . . . . 29 TRP NE1 . 7243 1 332 . 1 1 33 33 LYS H H 1 8.519 0.02 . 1 . . . . 30 LYS H . 7243 1 333 . 1 1 33 33 LYS HA H 1 5.273 0.02 . 1 . . . . 30 LYS HA . 7243 1 334 . 1 1 33 33 LYS HB2 H 1 1.783 0.02 . 2 . . . . 30 LYS HB2 . 7243 1 335 . 1 1 33 33 LYS HB3 H 1 1.971 0.02 . 2 . . . . 30 LYS HB3 . 7243 1 336 . 1 1 33 33 LYS HG2 H 1 1.445 0.02 . 2 . . . . 30 LYS HG2 . 7243 1 337 . 1 1 33 33 LYS HG3 H 1 1.546 0.02 . 2 . . . . 30 LYS HG3 . 7243 1 338 . 1 1 33 33 LYS HD2 H 1 1.692 0.02 . 2 . . . . 30 LYS HD2 . 7243 1 339 . 1 1 33 33 LYS HE2 H 1 2.964 0.02 . 2 . . . . 30 LYS HE2 . 7243 1 340 . 1 1 33 33 LYS C C 13 177.743 0.10 . 1 . . . . 30 LYS C . 7243 1 341 . 1 1 33 33 LYS CA C 13 54.616 0.10 . 1 . . . . 30 LYS CA . 7243 1 342 . 1 1 33 33 LYS CB C 13 34.821 0.10 . 1 . . . . 30 LYS CB . 7243 1 343 . 1 1 33 33 LYS N N 15 120.365 0.10 . 1 . . . . 30 LYS N . 7243 1 344 . 1 1 34 34 THR H H 1 8.551 0.02 . 1 . . . . 31 THR H . 7243 1 345 . 1 1 34 34 THR HA H 1 4.916 0.02 . 1 . . . . 31 THR HA . 7243 1 346 . 1 1 34 34 THR HB H 1 4.730 0.02 . 1 . . . . 31 THR HB . 7243 1 347 . 1 1 34 34 THR HG21 H 1 1.316 0.02 . 1 . . . . 31 THR HG2 . 7243 1 348 . 1 1 34 34 THR HG22 H 1 1.316 0.02 . 1 . . . . 31 THR HG2 . 7243 1 349 . 1 1 34 34 THR HG23 H 1 1.316 0.02 . 1 . . . . 31 THR HG2 . 7243 1 350 . 1 1 34 34 THR CA C 13 59.902 0.10 . 1 . . . . 31 THR CA . 7243 1 351 . 1 1 34 34 THR CB C 13 71.55 0.10 . 1 . . . . 31 THR CB . 7243 1 352 . 1 1 34 34 THR CG2 C 13 22.70 0.10 . 1 . . . . 31 THR CG2 . 7243 1 353 . 1 1 34 34 THR N N 15 113.742 0.10 . 1 . . . . 31 THR N . 7243 1 354 . 1 1 35 35 LYS H H 1 8.69 0.02 . 1 . . . . 32 LYS H . 7243 1 355 . 1 1 35 35 LYS HA H 1 4.369 0.02 . 1 . . . . 32 LYS HA . 7243 1 356 . 1 1 35 35 LYS HB2 H 1 1.858 0.02 . 2 . . . . 32 LYS HB2 . 7243 1 357 . 1 1 35 35 LYS HB3 H 1 1.997 0.02 . 2 . . . . 32 LYS HB3 . 7243 1 358 . 1 1 35 35 LYS HG2 H 1 1.504 0.02 . 2 . . . . 32 LYS HG2 . 7243 1 359 . 1 1 35 35 LYS HD2 H 1 1.628 0.02 . 2 . . . . 32 LYS HD2 . 7243 1 360 . 1 1 35 35 LYS HE2 H 1 3.026 0.02 . 2 . . . . 32 LYS HE2 . 7243 1 361 . 1 1 35 35 LYS C C 13 175.870 0.10 . 1 . . . . 32 LYS C . 7243 1 362 . 1 1 35 35 LYS CA C 13 56.906 0.10 . 1 . . . . 32 LYS CA . 7243 1 363 . 1 1 35 35 LYS CB C 13 32.205 0.10 . 1 . . . . 32 LYS CB . 7243 1 364 . 1 1 36 36 ASP H H 1 7.838 0.02 . 1 . . . . 33 ASP H . 7243 1 365 . 1 1 36 36 ASP HA H 1 4.759 0.02 . 1 . . . . 33 ASP HA . 7243 1 366 . 1 1 36 36 ASP HB2 H 1 2.330 0.02 . 2 . . . . 33 ASP HB2 . 7243 1 367 . 1 1 36 36 ASP HB3 H 1 2.840 0.02 . 2 . . . . 33 ASP HB3 . 7243 1 368 . 1 1 36 36 ASP C C 13 174.680 0.10 . 1 . . . . 33 ASP C . 7243 1 369 . 1 1 36 36 ASP CA C 13 54.318 0.10 . 1 . . . . 33 ASP CA . 7243 1 370 . 1 1 36 36 ASP CB C 13 40.961 0.10 . 1 . . . . 33 ASP CB . 7243 1 371 . 1 1 36 36 ASP N N 15 118.509 0.10 . 1 . . . . 33 ASP N . 7243 1 372 . 1 1 37 37 CYS H H 1 8.152 0.02 . 1 . . . . 34 CYS H . 7243 1 373 . 1 1 37 37 CYS HA H 1 4.332 0.02 . 1 . . . . 34 CYS HA . 7243 1 374 . 1 1 37 37 CYS HB2 H 1 3.126 0.02 . 2 . . . . 34 CYS HB2 . 7243 1 375 . 1 1 37 37 CYS HB3 H 1 3.282 0.02 . 2 . . . . 34 CYS HB3 . 7243 1 376 . 1 1 37 37 CYS C C 13 174.099 0.10 . 1 . . . . 34 CYS C . 7243 1 377 . 1 1 37 37 CYS CA C 13 56.241 0.10 . 1 . . . . 34 CYS CA . 7243 1 378 . 1 1 37 37 CYS CB C 13 35.815 0.10 . 1 . . . . 34 CYS CB . 7243 1 379 . 1 1 37 37 CYS N N 15 111.950 0.10 . 1 . . . . 34 CYS N . 7243 1 380 . 1 1 38 38 GLU H H 1 7.209 0.02 . 1 . . . . 35 GLU H . 7243 1 381 . 1 1 38 38 GLU HA H 1 5.138 0.02 . 1 . . . . 35 GLU HA . 7243 1 382 . 1 1 38 38 GLU HB2 H 1 1.666 0.02 . 2 . . . . 35 GLU HB2 . 7243 1 383 . 1 1 38 38 GLU HB3 H 1 1.988 0.02 . 2 . . . . 35 GLU HB3 . 7243 1 384 . 1 1 38 38 GLU HG2 H 1 1.961 0.02 . 2 . . . . 35 GLU HG2 . 7243 1 385 . 1 1 38 38 GLU C C 13 175.055 0.10 . 1 . . . . 35 GLU C . 7243 1 386 . 1 1 38 38 GLU CA C 13 54.361 0.10 . 1 . . . . 35 GLU CA . 7243 1 387 . 1 1 38 38 GLU CB C 13 32.901 0.10 . 1 . . . . 35 GLU CB . 7243 1 388 . 1 1 38 38 GLU N N 15 117.192 0.10 . 1 . . . . 35 GLU N . 7243 1 389 . 1 1 39 39 GLU H H 1 8.704 0.02 . 1 . . . . 36 GLU H . 7243 1 390 . 1 1 39 39 GLU HA H 1 4.838 0.02 . 1 . . . . 36 GLU HA . 7243 1 391 . 1 1 39 39 GLU HB2 H 1 1.743 0.02 . 2 . . . . 36 GLU HB2 . 7243 1 392 . 1 1 39 39 GLU HB3 H 1 1.825 0.02 . 2 . . . . 36 GLU HB3 . 7243 1 393 . 1 1 39 39 GLU HG2 H 1 1.585 0.02 . 2 . . . . 36 GLU HG2 . 7243 1 394 . 1 1 39 39 GLU HG3 H 1 1.950 0.02 . 2 . . . . 36 GLU HG3 . 7243 1 395 . 1 1 39 39 GLU C C 13 175.813 0.10 . 1 . . . . 36 GLU C . 7243 1 396 . 1 1 39 39 GLU CA C 13 55.049 0.10 . 1 . . . . 36 GLU CA . 7243 1 397 . 1 1 39 39 GLU CB C 13 32.931 0.10 . 1 . . . . 36 GLU CB . 7243 1 398 . 1 1 39 39 GLU N N 15 123.055 0.10 . 1 . . . . 36 GLU N . 7243 1 399 . 1 1 40 40 CYS H H 1 8.988 0.02 . 1 . . . . 37 CYS H . 7243 1 400 . 1 1 40 40 CYS HA H 1 5.496 0.02 . 1 . . . . 37 CYS HA . 7243 1 401 . 1 1 40 40 CYS HB2 H 1 1.623 0.02 . 2 . . . . 37 CYS HB2 . 7243 1 402 . 1 1 40 40 CYS HB3 H 1 0.588 0.02 . 2 . . . . 37 CYS HB3 . 7243 1 403 . 1 1 40 40 CYS C C 13 170.662 0.10 . 1 . . . . 37 CYS C . 7243 1 404 . 1 1 40 40 CYS CA C 13 54.695 0.10 . 1 . . . . 37 CYS CA . 7243 1 405 . 1 1 40 40 CYS CB C 13 46.891 0.10 . 1 . . . . 37 CYS CB . 7243 1 406 . 1 1 40 40 CYS N N 15 127.595 0.10 . 1 . . . . 37 CYS N . 7243 1 407 . 1 1 41 41 THR H H 1 8.554 0.02 . 1 . . . . 38 THR H . 7243 1 408 . 1 1 41 41 THR HA H 1 5.059 0.02 . 1 . . . . 38 THR HA . 7243 1 409 . 1 1 41 41 THR HB H 1 3.804 0.02 . 1 . . . . 38 THR HB . 7243 1 410 . 1 1 41 41 THR HG21 H 1 1.023 0.02 . 1 . . . . 38 THR HG2 . 7243 1 411 . 1 1 41 41 THR HG22 H 1 1.023 0.02 . 1 . . . . 38 THR HG2 . 7243 1 412 . 1 1 41 41 THR HG23 H 1 1.023 0.02 . 1 . . . . 38 THR HG2 . 7243 1 413 . 1 1 41 41 THR C C 13 173.742 0.10 . 1 . . . . 38 THR C . 7243 1 414 . 1 1 41 41 THR CA C 13 59.924 0.10 . 1 . . . . 38 THR CA . 7243 1 415 . 1 1 41 41 THR CB C 13 71.413 0.10 . 1 . . . . 38 THR CB . 7243 1 416 . 1 1 41 41 THR CG2 C 13 20.25 0.10 . 1 . . . . 38 THR CG2 . 7243 1 417 . 1 1 41 41 THR N N 15 113.851 0.10 . 1 . . . . 38 THR N . 7243 1 418 . 1 1 42 42 CYS H H 1 8.327 0.02 . 1 . . . . 39 CYS H . 7243 1 419 . 1 1 42 42 CYS HA H 1 5.101 0.02 . 1 . . . . 39 CYS HA . 7243 1 420 . 1 1 42 42 CYS HB2 H 1 3.185 0.02 . 2 . . . . 39 CYS HB2 . 7243 1 421 . 1 1 42 42 CYS C C 13 173.311 0.10 . 1 . . . . 39 CYS C . 7243 1 422 . 1 1 42 42 CYS CA C 13 54.686 0.10 . 1 . . . . 39 CYS CA . 7243 1 423 . 1 1 42 42 CYS CB C 13 37.371 0.10 . 1 . . . . 39 CYS CB . 7243 1 424 . 1 1 42 42 CYS N N 15 123.728 0.10 . 1 . . . . 39 CYS N . 7243 1 425 . 1 1 43 43 GLY H H 1 8.037 0.02 . 1 . . . . 40 GLY H . 7243 1 426 . 1 1 43 43 GLY HA2 H 1 4.009 0.02 . 2 . . . . 40 GLY HA2 . 7243 1 427 . 1 1 43 43 GLY HA3 H 1 4.650 0.02 . 2 . . . . 40 GLY HA3 . 7243 1 428 . 1 1 43 43 GLY C C 13 172.234 0.10 . 1 . . . . 40 GLY C . 7243 1 429 . 1 1 43 43 GLY CA C 13 43.641 0.10 . 1 . . . . 40 GLY CA . 7243 1 430 . 1 1 43 43 GLY N N 15 119.817 0.10 . 1 . . . . 40 GLY N . 7243 1 431 . 1 1 44 44 GLN H H 1 8.497 0.02 . 1 . . . . 41 GLN H . 7243 1 432 . 1 1 44 44 GLN HA H 1 3.901 0.02 . 1 . . . . 41 GLN HA . 7243 1 433 . 1 1 44 44 GLN HB2 H 1 2.029 0.02 . 2 . . . . 41 GLN HB2 . 7243 1 434 . 1 1 44 44 GLN HB3 H 1 2.063 0.02 . 2 . . . . 41 GLN HB3 . 7243 1 435 . 1 1 44 44 GLN HG2 H 1 2.421 0.02 . 2 . . . . 41 GLN HG2 . 7243 1 436 . 1 1 44 44 GLN HE21 H 1 7.564 0.02 . 2 . . . . 41 GLN HE21 . 7243 1 437 . 1 1 44 44 GLN HE22 H 1 6.871 0.02 . 2 . . . . 41 GLN HE22 . 7243 1 438 . 1 1 44 44 GLN C C 13 177.136 0.10 . 1 . . . . 41 GLN C . 7243 1 439 . 1 1 44 44 GLN CA C 13 59.014 0.10 . 1 . . . . 41 GLN CA . 7243 1 440 . 1 1 44 44 GLN CB C 13 29.171 0.10 . 1 . . . . 41 GLN CB . 7243 1 441 . 1 1 44 44 GLN CG C 13 34.086 0.10 . 1 . . . . 41 GLN CG . 7243 1 442 . 1 1 44 44 GLN CD C 13 180.177 0.10 . 1 . . . . 41 GLN CD . 7243 1 443 . 1 1 44 44 GLN N N 15 117.468 0.10 . 1 . . . . 41 GLN N . 7243 1 444 . 1 1 44 44 GLN NE2 N 15 112.989 0.10 . 1 . . . . 41 GLN NE2 . 7243 1 445 . 1 1 45 45 ASP H H 1 8.643 0.02 . 1 . . . . 42 ASP H . 7243 1 446 . 1 1 45 45 ASP HA H 1 4.811 0.02 . 1 . . . . 42 ASP HA . 7243 1 447 . 1 1 45 45 ASP HB2 H 1 2.708 0.02 . 2 . . . . 42 ASP HB2 . 7243 1 448 . 1 1 45 45 ASP HB3 H 1 2.593 0.02 . 2 . . . . 42 ASP HB3 . 7243 1 449 . 1 1 45 45 ASP C C 13 176.528 0.10 . 1 . . . . 42 ASP C . 7243 1 450 . 1 1 45 45 ASP CA C 13 54.554 0.10 . 1 . . . . 42 ASP CA . 7243 1 451 . 1 1 45 45 ASP CB C 13 41.749 0.10 . 1 . . . . 42 ASP CB . 7243 1 452 . 1 1 45 45 ASP N N 15 114.442 0.10 . 1 . . . . 42 ASP N . 7243 1 453 . 1 1 46 46 ALA H H 1 7.504 0.02 . 1 . . . . 43 ALA H . 7243 1 454 . 1 1 46 46 ALA HA H 1 4.783 0.02 . 1 . . . . 43 ALA HA . 7243 1 455 . 1 1 46 46 ALA HB1 H 1 1.308 0.02 . 1 . . . . 43 ALA HB . 7243 1 456 . 1 1 46 46 ALA HB2 H 1 1.308 0.02 . 1 . . . . 43 ALA HB . 7243 1 457 . 1 1 46 46 ALA HB3 H 1 1.308 0.02 . 1 . . . . 43 ALA HB . 7243 1 458 . 1 1 46 46 ALA C C 13 176.270 0.10 . 1 . . . . 43 ALA C . 7243 1 459 . 1 1 46 46 ALA CA C 13 52.081 0.10 . 1 . . . . 43 ALA CA . 7243 1 460 . 1 1 46 46 ALA CB C 13 22.079 0.10 . 1 . . . . 43 ALA CB . 7243 1 461 . 1 1 46 46 ALA N N 15 121.408 0.10 . 1 . . . . 43 ALA N . 7243 1 462 . 1 1 47 47 ILE H H 1 8.882 0.02 . 1 . . . . 44 ILE H . 7243 1 463 . 1 1 47 47 ILE HA H 1 4.814 0.02 . 1 . . . . 44 ILE HA . 7243 1 464 . 1 1 47 47 ILE HB H 1 1.952 0.02 . 1 . . . . 44 ILE HB . 7243 1 465 . 1 1 47 47 ILE HG12 H 1 1.947 0.02 . 2 . . . . 44 ILE HG12 . 7243 1 466 . 1 1 47 47 ILE HG13 H 1 1.152 0.02 . 2 . . . . 44 ILE HG13 . 7243 1 467 . 1 1 47 47 ILE HG21 H 1 0.940 0.02 . 1 . . . . 44 ILE HG2 . 7243 1 468 . 1 1 47 47 ILE HG22 H 1 0.940 0.02 . 1 . . . . 44 ILE HG2 . 7243 1 469 . 1 1 47 47 ILE HG23 H 1 0.940 0.02 . 1 . . . . 44 ILE HG2 . 7243 1 470 . 1 1 47 47 ILE HD11 H 1 1.027 0.02 . 1 . . . . 44 ILE HD1 . 7243 1 471 . 1 1 47 47 ILE HD12 H 1 1.027 0.02 . 1 . . . . 44 ILE HD1 . 7243 1 472 . 1 1 47 47 ILE HD13 H 1 1.027 0.02 . 1 . . . . 44 ILE HD1 . 7243 1 473 . 1 1 47 47 ILE C C 13 175.287 0.10 . 1 . . . . 44 ILE C . 7243 1 474 . 1 1 47 47 ILE CA C 13 61.019 0.10 . 1 . . . . 44 ILE CA . 7243 1 475 . 1 1 47 47 ILE CB C 13 40.590 0.10 . 1 . . . . 44 ILE CB . 7243 1 476 . 1 1 47 47 ILE CG1 C 13 30.35 0.10 . 1 . . . . 44 ILE CG1 . 7243 1 477 . 1 1 47 47 ILE CG2 C 13 20.13 0.10 . 1 . . . . 44 ILE CG2 . 7243 1 478 . 1 1 47 47 ILE CD1 C 13 15.16 0.10 . 1 . . . . 44 ILE CD1 . 7243 1 479 . 1 1 47 47 ILE N N 15 122.623 0.10 . 1 . . . . 44 ILE N . 7243 1 480 . 1 1 48 48 SER H H 1 8.403 0.02 . 1 . . . . 45 SER H . 7243 1 481 . 1 1 48 48 SER HA H 1 5.053 0.02 . 1 . . . . 45 SER HA . 7243 1 482 . 1 1 48 48 SER HB2 H 1 3.531 0.02 . 2 . . . . 45 SER HB2 . 7243 1 483 . 1 1 48 48 SER C C 13 174.519 0.10 . 1 . . . . 45 SER C . 7243 1 484 . 1 1 48 48 SER CA C 13 55.563 0.10 . 1 . . . . 45 SER CA . 7243 1 485 . 1 1 48 48 SER CB C 13 64.453 0.10 . 1 . . . . 45 SER CB . 7243 1 486 . 1 1 48 48 SER N N 15 121.606 0.10 . 1 . . . . 45 SER N . 7243 1 487 . 1 1 49 49 CYS H H 1 8.473 0.02 . 1 . . . . 46 CYS H . 7243 1 488 . 1 1 49 49 CYS HA H 1 5.170 0.02 . 1 . . . . 46 CYS HA . 7243 1 489 . 1 1 49 49 CYS HB2 H 1 2.237 0.02 . 2 . . . . 46 CYS HB2 . 7243 1 490 . 1 1 49 49 CYS HB3 H 1 1.743 0.02 . 2 . . . . 46 CYS HB3 . 7243 1 491 . 1 1 49 49 CYS C C 13 172.786 0.10 . 1 . . . . 46 CYS C . 7243 1 492 . 1 1 49 49 CYS CA C 13 55.025 0.10 . 1 . . . . 46 CYS CA . 7243 1 493 . 1 1 49 49 CYS CB C 13 47.277 0.10 . 1 . . . . 46 CYS CB . 7243 1 494 . 1 1 49 49 CYS N N 15 124.694 0.10 . 1 . . . . 46 CYS N . 7243 1 495 . 1 1 50 50 CYS H H 1 8.653 0.02 . 1 . . . . 47 CYS H . 7243 1 496 . 1 1 50 50 CYS HA H 1 5.276 0.02 . 1 . . . . 47 CYS HA . 7243 1 497 . 1 1 50 50 CYS HB2 H 1 2.773 0.02 . 2 . . . . 47 CYS HB2 . 7243 1 498 . 1 1 50 50 CYS HB3 H 1 2.856 0.02 . 2 . . . . 47 CYS HB3 . 7243 1 499 . 1 1 50 50 CYS C C 13 173.521 0.10 . 1 . . . . 47 CYS C . 7243 1 500 . 1 1 50 50 CYS CA C 13 54.608 0.10 . 1 . . . . 47 CYS CA . 7243 1 501 . 1 1 50 50 CYS CB C 13 48.100 0.10 . 1 . . . . 47 CYS CB . 7243 1 502 . 1 1 50 50 CYS N N 15 118.716 0.10 . 1 . . . . 47 CYS N . 7243 1 503 . 1 1 51 51 ASN H H 1 8.694 0.02 . 1 . . . . 48 ASN H . 7243 1 504 . 1 1 51 51 ASN HA H 1 4.853 0.02 . 1 . . . . 48 ASN HA . 7243 1 505 . 1 1 51 51 ASN HB2 H 1 3.000 0.02 . 2 . . . . 48 ASN HB2 . 7243 1 506 . 1 1 51 51 ASN HB3 H 1 3.096 0.02 . 2 . . . . 48 ASN HB3 . 7243 1 507 . 1 1 51 51 ASN HD21 H 1 8.107 0.02 . 2 . . . . 48 ASN HD21 . 7243 1 508 . 1 1 51 51 ASN HD22 H 1 7.320 0.02 . 2 . . . . 48 ASN HD22 . 7243 1 509 . 1 1 51 51 ASN C C 13 175.785 0.10 . 1 . . . . 48 ASN C . 7243 1 510 . 1 1 51 51 ASN CA C 13 54.553 0.10 . 1 . . . . 48 ASN CA . 7243 1 511 . 1 1 51 51 ASN CB C 13 39.253 0.10 . 1 . . . . 48 ASN CB . 7243 1 512 . 1 1 51 51 ASN CG C 13 176.198 0.10 . 1 . . . . 48 ASN CG . 7243 1 513 . 1 1 51 51 ASN N N 15 121.881 0.10 . 1 . . . . 48 ASN N . 7243 1 514 . 1 1 51 51 ASN ND2 N 15 116.316 0.10 . 1 . . . . 48 ASN ND2 . 7243 1 515 . 1 1 52 52 THR H H 1 8.360 0.02 . 1 . . . . 49 THR H . 7243 1 516 . 1 1 52 52 THR HA H 1 4.424 0.02 . 1 . . . . 49 THR HA . 7243 1 517 . 1 1 52 52 THR HB H 1 4.342 0.02 . 1 . . . . 49 THR HB . 7243 1 518 . 1 1 52 52 THR HG21 H 1 1.040 0.02 . 1 . . . . 49 THR HG2 . 7243 1 519 . 1 1 52 52 THR HG22 H 1 1.040 0.02 . 1 . . . . 49 THR HG2 . 7243 1 520 . 1 1 52 52 THR HG23 H 1 1.040 0.02 . 1 . . . . 49 THR HG2 . 7243 1 521 . 1 1 52 52 THR C C 13 174.177 0.10 . 1 . . . . 49 THR C . 7243 1 522 . 1 1 52 52 THR CA C 13 61.815 0.10 . 1 . . . . 49 THR CA . 7243 1 523 . 1 1 52 52 THR CB C 13 69.475 0.10 . 1 . . . . 49 THR CB . 7243 1 524 . 1 1 52 52 THR CG2 C 13 21.82 0.10 . 1 . . . . 49 THR CG2 . 7243 1 525 . 1 1 52 52 THR N N 15 114.460 0.10 . 1 . . . . 49 THR N . 7243 1 526 . 1 1 53 53 ALA H H 1 7.982 0.02 . 1 . . . . 50 ALA H . 7243 1 527 . 1 1 53 53 ALA HA H 1 4.649 0.02 . 1 . . . . 50 ALA HA . 7243 1 528 . 1 1 53 53 ALA HB1 H 1 1.239 0.02 . 1 . . . . 50 ALA HB . 7243 1 529 . 1 1 53 53 ALA HB2 H 1 1.239 0.02 . 1 . . . . 50 ALA HB . 7243 1 530 . 1 1 53 53 ALA HB3 H 1 1.239 0.02 . 1 . . . . 50 ALA HB . 7243 1 531 . 1 1 53 53 ALA C C 13 176.128 0.10 . 1 . . . . 50 ALA C . 7243 1 532 . 1 1 53 53 ALA CA C 13 51.309 0.10 . 1 . . . . 50 ALA CA . 7243 1 533 . 1 1 53 53 ALA CB C 13 20.697 0.10 . 1 . . . . 50 ALA CB . 7243 1 534 . 1 1 53 53 ALA N N 15 127.068 0.10 . 1 . . . . 50 ALA N . 7243 1 535 . 1 1 54 54 ALA H H 1 8.402 0.02 . 1 . . . . 51 ALA H . 7243 1 536 . 1 1 54 54 ALA HA H 1 4.429 0.02 . 1 . . . . 51 ALA HA . 7243 1 537 . 1 1 54 54 ALA HB1 H 1 1.398 0.02 . 1 . . . . 51 ALA HB . 7243 1 538 . 1 1 54 54 ALA HB2 H 1 1.398 0.02 . 1 . . . . 51 ALA HB . 7243 1 539 . 1 1 54 54 ALA HB3 H 1 1.398 0.02 . 1 . . . . 51 ALA HB . 7243 1 540 . 1 1 54 54 ALA C C 13 177.200 0.10 . 1 . . . . 51 ALA C . 7243 1 541 . 1 1 54 54 ALA CA C 13 52.640 0.10 . 1 . . . . 51 ALA CA . 7243 1 542 . 1 1 54 54 ALA CB C 13 19.187 0.10 . 1 . . . . 51 ALA CB . 7243 1 543 . 1 1 54 54 ALA N N 15 126.622 0.10 . 1 . . . . 51 ALA N . 7243 1 544 . 1 1 55 55 ILE H H 1 9.046 0.02 . 1 . . . . 52 ILE H . 7243 1 545 . 1 1 55 55 ILE HA H 1 4.299 0.02 . 1 . . . . 52 ILE HA . 7243 1 546 . 1 1 55 55 ILE HB H 1 1.885 0.02 . 1 . . . . 52 ILE HB . 7243 1 547 . 1 1 55 55 ILE HG12 H 1 1.826 0.02 . 2 . . . . 52 ILE HG12 . 7243 1 548 . 1 1 55 55 ILE HG13 H 1 1.191 0.02 . 2 . . . . 52 ILE HG13 . 7243 1 549 . 1 1 55 55 ILE HG21 H 1 0.718 0.02 . 1 . . . . 52 ILE HG2 . 7243 1 550 . 1 1 55 55 ILE HG22 H 1 0.718 0.02 . 1 . . . . 52 ILE HG2 . 7243 1 551 . 1 1 55 55 ILE HG23 H 1 0.718 0.02 . 1 . . . . 52 ILE HG2 . 7243 1 552 . 1 1 55 55 ILE HD11 H 1 0.842 0.02 . 1 . . . . 52 ILE HD1 . 7243 1 553 . 1 1 55 55 ILE HD12 H 1 0.842 0.02 . 1 . . . . 52 ILE HD1 . 7243 1 554 . 1 1 55 55 ILE HD13 H 1 0.842 0.02 . 1 . . . . 52 ILE HD1 . 7243 1 555 . 1 1 55 55 ILE CA C 13 58.054 0.10 . 1 . . . . 52 ILE CA . 7243 1 556 . 1 1 55 55 ILE CB C 13 40.06 0.10 . 1 . . . . 52 ILE CB . 7243 1 557 . 1 1 55 55 ILE CG1 C 13 28.01 0.10 . 1 . . . . 52 ILE CG1 . 7243 1 558 . 1 1 55 55 ILE CG2 C 13 17.39 0.10 . 1 . . . . 52 ILE CG2 . 7243 1 559 . 1 1 55 55 ILE CD1 C 13 13.31 0.10 . 1 . . . . 52 ILE CD1 . 7243 1 560 . 1 1 55 55 ILE N N 15 125.378 0.10 . 1 . . . . 52 ILE N . 7243 1 561 . 1 1 56 56 PRO HA H 1 4.082 0.02 . 1 . . . . 53 PRO HA . 7243 1 562 . 1 1 56 56 PRO HB2 H 1 1.198 0.02 . 2 . . . . 53 PRO HB2 . 7243 1 563 . 1 1 56 56 PRO HB3 H 1 1.021 0.02 . 2 . . . . 53 PRO HB3 . 7243 1 564 . 1 1 56 56 PRO HG2 H 1 1.358 0.02 . 2 . . . . 53 PRO HG2 . 7243 1 565 . 1 1 56 56 PRO HG3 H 1 1.664 0.02 . 2 . . . . 53 PRO HG3 . 7243 1 566 . 1 1 56 56 PRO HD2 H 1 3.739 0.02 . 2 . . . . 53 PRO HD2 . 7243 1 567 . 1 1 56 56 PRO HD3 H 1 3.089 0.02 . 2 . . . . 53 PRO HD3 . 7243 1 568 . 1 1 56 56 PRO C C 13 175.780 0.10 . 1 . . . . 53 PRO C . 7243 1 569 . 1 1 56 56 PRO CA C 13 61.700 0.10 . 1 . . . . 53 PRO CA . 7243 1 570 . 1 1 56 56 PRO CB C 13 32.275 0.10 . 1 . . . . 53 PRO CB . 7243 1 571 . 1 1 56 56 PRO CD C 13 50.14 0.10 . 1 . . . . 53 PRO CD . 7243 1 572 . 1 1 57 57 THR H H 1 8.281 0.02 . 1 . . . . 54 THR H . 7243 1 573 . 1 1 57 57 THR HA H 1 4.488 0.02 . 1 . . . . 54 THR HA . 7243 1 574 . 1 1 57 57 THR HB H 1 3.938 0.02 . 1 . . . . 54 THR HB . 7243 1 575 . 1 1 57 57 THR HG21 H 1 0.900 0.02 . 1 . . . . 54 THR HG2 . 7243 1 576 . 1 1 57 57 THR HG22 H 1 0.900 0.02 . 1 . . . . 54 THR HG2 . 7243 1 577 . 1 1 57 57 THR HG23 H 1 0.900 0.02 . 1 . . . . 54 THR HG2 . 7243 1 578 . 1 1 57 57 THR CA C 13 60.073 0.10 . 1 . . . . 54 THR CA . 7243 1 579 . 1 1 57 57 THR CB C 13 71.091 0.10 . 1 . . . . 54 THR CB . 7243 1 580 . 1 1 57 57 THR CG2 C 13 20.95 0.10 . 1 . . . . 54 THR CG2 . 7243 1 581 . 1 1 57 57 THR N N 15 113.313 0.10 . 1 . . . . 54 THR N . 7243 1 582 . 1 1 58 58 GLY H H 1 8.113 0.02 . 1 . . . . 55 GLY H . 7243 1 583 . 1 1 58 58 GLY HA2 H 1 4.176 0.02 . 2 . . . . 55 GLY HA2 . 7243 1 584 . 1 1 58 58 GLY HA3 H 1 3.667 0.02 . 2 . . . . 55 GLY HA3 . 7243 1 585 . 1 1 58 58 GLY C C 13 173.448 0.10 . 1 . . . . 55 GLY C . 7243 1 586 . 1 1 58 58 GLY CA C 13 46.537 0.10 . 1 . . . . 55 GLY CA . 7243 1 587 . 1 1 58 58 GLY N N 15 110.196 0.10 . 1 . . . . 55 GLY N . 7243 1 588 . 1 1 59 59 TYR H H 1 6.926 0.02 . 1 . . . . 56 TYR H . 7243 1 589 . 1 1 59 59 TYR HA H 1 4.944 0.02 . 1 . . . . 56 TYR HA . 7243 1 590 . 1 1 59 59 TYR HB2 H 1 2.859 0.02 . 2 . . . . 56 TYR HB2 . 7243 1 591 . 1 1 59 59 TYR HD1 H 1 6.381 0.02 . 3 . . . . 56 TYR HD1 . 7243 1 592 . 1 1 59 59 TYR HE1 H 1 6.471 0.02 . 3 . . . . 56 TYR HE1 . 7243 1 593 . 1 1 59 59 TYR C C 13 173.770 0.10 . 1 . . . . 56 TYR C . 7243 1 594 . 1 1 59 59 TYR CA C 13 54.168 0.10 . 1 . . . . 56 TYR CA . 7243 1 595 . 1 1 59 59 TYR CB C 13 41.111 0.10 . 1 . . . . 56 TYR CB . 7243 1 596 . 1 1 59 59 TYR N N 15 115.870 0.10 . 1 . . . . 56 TYR N . 7243 1 597 . 1 1 60 60 ASP H H 1 8.704 0.02 . 1 . . . . 57 ASP H . 7243 1 598 . 1 1 60 60 ASP HA H 1 4.518 0.02 . 1 . . . . 57 ASP HA . 7243 1 599 . 1 1 60 60 ASP HB2 H 1 2.602 0.02 . 2 . . . . 57 ASP HB2 . 7243 1 600 . 1 1 60 60 ASP HB3 H 1 3.062 0.02 . 2 . . . . 57 ASP HB3 . 7243 1 601 . 1 1 60 60 ASP C C 13 176.552 0.10 . 1 . . . . 57 ASP C . 7243 1 602 . 1 1 60 60 ASP CA C 13 53.869 0.10 . 1 . . . . 57 ASP CA . 7243 1 603 . 1 1 60 60 ASP CB C 13 40.958 0.10 . 1 . . . . 57 ASP CB . 7243 1 604 . 1 1 60 60 ASP N N 15 120.414 0.10 . 1 . . . . 57 ASP N . 7243 1 605 . 1 1 61 61 THR H H 1 8.077 0.02 . 1 . . . . 58 THR H . 7243 1 606 . 1 1 61 61 THR HA H 1 4.200 0.02 . 1 . . . . 58 THR HA . 7243 1 607 . 1 1 61 61 THR HB H 1 4.391 0.02 . 1 . . . . 58 THR HB . 7243 1 608 . 1 1 61 61 THR HG21 H 1 0.923 0.02 . 1 . . . . 58 THR HG2 . 7243 1 609 . 1 1 61 61 THR HG22 H 1 0.923 0.02 . 1 . . . . 58 THR HG2 . 7243 1 610 . 1 1 61 61 THR HG23 H 1 0.923 0.02 . 1 . . . . 58 THR HG2 . 7243 1 611 . 1 1 61 61 THR C C 13 175.544 0.10 . 1 . . . . 58 THR C . 7243 1 612 . 1 1 61 61 THR CA C 13 63.392 0.10 . 1 . . . . 58 THR CA . 7243 1 613 . 1 1 61 61 THR CB C 13 68.667 0.10 . 1 . . . . 58 THR CB . 7243 1 614 . 1 1 61 61 THR CG2 C 13 21.44 0.10 . 1 . . . . 58 THR CG2 . 7243 1 615 . 1 1 61 61 THR N N 15 120.458 0.10 . 1 . . . . 58 THR N . 7243 1 616 . 1 1 62 62 ASN H H 1 8.485 0.02 . 1 . . . . 59 ASN H . 7243 1 617 . 1 1 62 62 ASN HA H 1 4.690 0.02 . 1 . . . . 59 ASN HA . 7243 1 618 . 1 1 62 62 ASN HB2 H 1 2.974 0.02 . 2 . . . . 59 ASN HB2 . 7243 1 619 . 1 1 62 62 ASN HB3 H 1 2.846 0.02 . 2 . . . . 59 ASN HB3 . 7243 1 620 . 1 1 62 62 ASN HD21 H 1 7.868 0.02 . 2 . . . . 59 ASN HD21 . 7243 1 621 . 1 1 62 62 ASN HD22 H 1 6.962 0.02 . 2 . . . . 59 ASN HD22 . 7243 1 622 . 1 1 62 62 ASN C C 13 176.765 0.10 . 1 . . . . 59 ASN C . 7243 1 623 . 1 1 62 62 ASN CA C 13 55.308 0.10 . 1 . . . . 59 ASN CA . 7243 1 624 . 1 1 62 62 ASN CB C 13 38.967 0.10 . 1 . . . . 59 ASN CB . 7243 1 625 . 1 1 62 62 ASN CG C 13 175.855 0.10 . 1 . . . . 59 ASN CG . 7243 1 626 . 1 1 62 62 ASN N N 15 119.892 0.10 . 1 . . . . 59 ASN N . 7243 1 627 . 1 1 62 62 ASN ND2 N 15 115.848 0.10 . 1 . . . . 59 ASN ND2 . 7243 1 628 . 1 1 63 63 LYS H H 1 7.625 0.02 . 1 . . . . 60 LYS H . 7243 1 629 . 1 1 63 63 LYS HA H 1 4.280 0.02 . 1 . . . . 60 LYS HA . 7243 1 630 . 1 1 63 63 LYS HB2 H 1 1.786 0.02 . 2 . . . . 60 LYS HB2 . 7243 1 631 . 1 1 63 63 LYS HG2 H 1 1.550 0.02 . 2 . . . . 60 LYS HG2 . 7243 1 632 . 1 1 63 63 LYS HG3 H 1 1.472 0.02 . 2 . . . . 60 LYS HG3 . 7243 1 633 . 1 1 63 63 LYS HD2 H 1 1.697 0.02 . 2 . . . . 60 LYS HD2 . 7243 1 634 . 1 1 63 63 LYS HE2 H 1 2.975 0.02 . 2 . . . . 60 LYS HE2 . 7243 1 635 . 1 1 63 63 LYS C C 13 177.135 0.10 . 1 . . . . 60 LYS C . 7243 1 636 . 1 1 63 63 LYS CA C 13 57.547 0.10 . 1 . . . . 60 LYS CA . 7243 1 637 . 1 1 63 63 LYS CB C 13 35.851 0.10 . 1 . . . . 60 LYS CB . 7243 1 638 . 1 1 63 63 LYS CG C 13 25.78 0.10 . 1 . . . . 60 LYS CG . 7243 1 639 . 1 1 63 63 LYS CD C 13 29.00 0.10 . 1 . . . . 60 LYS CD . 7243 1 640 . 1 1 63 63 LYS CE C 13 42.30 0.10 . 1 . . . . 60 LYS CE . 7243 1 641 . 1 1 63 63 LYS N N 15 118.808 0.10 . 1 . . . . 60 LYS N . 7243 1 642 . 1 1 64 64 CYS H H 1 8.310 0.02 . 1 . . . . 61 CYS H . 7243 1 643 . 1 1 64 64 CYS HA H 1 5.459 0.02 . 1 . . . . 61 CYS HA . 7243 1 644 . 1 1 64 64 CYS HB2 H 1 2.635 0.02 . 2 . . . . 61 CYS HB2 . 7243 1 645 . 1 1 64 64 CYS HB3 H 1 3.653 0.02 . 2 . . . . 61 CYS HB3 . 7243 1 646 . 1 1 64 64 CYS C C 13 171.311 0.10 . 1 . . . . 61 CYS C . 7243 1 647 . 1 1 64 64 CYS CA C 13 56.741 0.10 . 1 . . . . 61 CYS CA . 7243 1 648 . 1 1 64 64 CYS CB C 13 50.085 0.10 . 1 . . . . 61 CYS CB . 7243 1 649 . 1 1 64 64 CYS N N 15 117.671 0.10 . 1 . . . . 61 CYS N . 7243 1 650 . 1 1 65 65 GLN H H 1 9.456 0.02 . 1 . . . . 62 GLN H . 7243 1 651 . 1 1 65 65 GLN HA H 1 4.834 0.02 . 1 . . . . 62 GLN HA . 7243 1 652 . 1 1 65 65 GLN HB2 H 1 1.888 0.02 . 2 . . . . 62 GLN HB2 . 7243 1 653 . 1 1 65 65 GLN HB3 H 1 1.789 0.02 . 2 . . . . 62 GLN HB3 . 7243 1 654 . 1 1 65 65 GLN HG2 H 1 2.110 0.02 . 2 . . . . 62 GLN HG2 . 7243 1 655 . 1 1 65 65 GLN HG3 H 1 2.083 0.02 . 2 . . . . 62 GLN HG3 . 7243 1 656 . 1 1 65 65 GLN HE21 H 1 6.926 0.02 . 2 . . . . 62 GLN HE21 . 7243 1 657 . 1 1 65 65 GLN HE22 H 1 6.963 0.02 . 2 . . . . 62 GLN HE22 . 7243 1 658 . 1 1 65 65 GLN C C 13 172.661 0.10 . 1 . . . . 62 GLN C . 7243 1 659 . 1 1 65 65 GLN CA C 13 53.337 0.10 . 1 . . . . 62 GLN CA . 7243 1 660 . 1 1 65 65 GLN CB C 13 32.070 0.10 . 1 . . . . 62 GLN CB . 7243 1 661 . 1 1 65 65 GLN CD C 13 179.294 0.10 . 1 . . . . 62 GLN CD . 7243 1 662 . 1 1 65 65 GLN N N 15 117.924 0.10 . 1 . . . . 62 GLN N . 7243 1 663 . 1 1 65 65 GLN NE2 N 15 111.599 0.10 . 1 . . . . 62 GLN NE2 . 7243 1 664 . 1 1 66 66 LYS H H 1 8.372 0.02 . 1 . . . . 63 LYS H . 7243 1 665 . 1 1 66 66 LYS HA H 1 5.280 0.02 . 1 . . . . 63 LYS HA . 7243 1 666 . 1 1 66 66 LYS HB2 H 1 1.661 0.02 . 2 . . . . 63 LYS HB2 . 7243 1 667 . 1 1 66 66 LYS HB3 H 1 1.519 0.02 . 2 . . . . 63 LYS HB3 . 7243 1 668 . 1 1 66 66 LYS HG2 H 1 1.402 0.02 . 2 . . . . 63 LYS HG2 . 7243 1 669 . 1 1 66 66 LYS HG3 H 1 1.319 0.02 . 2 . . . . 63 LYS HG3 . 7243 1 670 . 1 1 66 66 LYS HD2 H 1 1.421 0.02 . 2 . . . . 63 LYS HD2 . 7243 1 671 . 1 1 66 66 LYS HD3 H 1 0.722 0.02 . 2 . . . . 63 LYS HD3 . 7243 1 672 . 1 1 66 66 LYS HE2 H 1 2.835 0.02 . 2 . . . . 63 LYS HE2 . 7243 1 673 . 1 1 66 66 LYS C C 13 175.186 0.10 . 1 . . . . 63 LYS C . 7243 1 674 . 1 1 66 66 LYS CA C 13 54.110 0.10 . 1 . . . . 63 LYS CA . 7243 1 675 . 1 1 66 66 LYS CB C 13 34.749 0.10 . 1 . . . . 63 LYS CB . 7243 1 676 . 1 1 66 66 LYS CG C 13 24.66 0.10 . 1 . . . . 63 LYS CG . 7243 1 677 . 1 1 66 66 LYS CD C 13 29.90 0.10 . 1 . . . . 63 LYS CD . 7243 1 678 . 1 1 66 66 LYS CE C 13 41.95 0.10 . 1 . . . . 63 LYS CE . 7243 1 679 . 1 1 66 66 LYS N N 15 121.430 0.10 . 1 . . . . 63 LYS N . 7243 1 680 . 1 1 67 67 ILE H H 1 9.146 0.02 . 1 . . . . 64 ILE H . 7243 1 681 . 1 1 67 67 ILE HA H 1 4.442 0.02 . 1 . . . . 64 ILE HA . 7243 1 682 . 1 1 67 67 ILE HB H 1 1.811 0.02 . 1 . . . . 64 ILE HB . 7243 1 683 . 1 1 67 67 ILE HG12 H 1 1.390 0.02 . 2 . . . . 64 ILE HG12 . 7243 1 684 . 1 1 67 67 ILE HG13 H 1 1.061 0.02 . 2 . . . . 64 ILE HG13 . 7243 1 685 . 1 1 67 67 ILE HG21 H 1 0.795 0.02 . 1 . . . . 64 ILE HG2 . 7243 1 686 . 1 1 67 67 ILE HG22 H 1 0.795 0.02 . 1 . . . . 64 ILE HG2 . 7243 1 687 . 1 1 67 67 ILE HG23 H 1 0.795 0.02 . 1 . . . . 64 ILE HG2 . 7243 1 688 . 1 1 67 67 ILE HD11 H 1 0.743 0.02 . 1 . . . . 64 ILE HD1 . 7243 1 689 . 1 1 67 67 ILE HD12 H 1 0.743 0.02 . 1 . . . . 64 ILE HD1 . 7243 1 690 . 1 1 67 67 ILE HD13 H 1 0.743 0.02 . 1 . . . . 64 ILE HD1 . 7243 1 691 . 1 1 67 67 ILE C C 13 175.145 0.10 . 1 . . . . 64 ILE C . 7243 1 692 . 1 1 67 67 ILE CA C 13 60.119 0.10 . 1 . . . . 64 ILE CA . 7243 1 693 . 1 1 67 67 ILE CB C 13 40.889 0.10 . 1 . . . . 64 ILE CB . 7243 1 694 . 1 1 67 67 ILE CG1 C 13 27.12 0.10 . 1 . . . . 64 ILE CG1 . 7243 1 695 . 1 1 67 67 ILE CG2 C 13 17.26 0.10 . 1 . . . . 64 ILE CG2 . 7243 1 696 . 1 1 67 67 ILE CD1 C 13 13.07 0.10 . 1 . . . . 64 ILE CD1 . 7243 1 697 . 1 1 67 67 ILE N N 15 124.124 0.10 . 1 . . . . 64 ILE N . 7243 1 698 . 1 1 68 68 LEU H H 1 8.846 0.02 . 1 . . . . 65 LEU H . 7243 1 699 . 1 1 68 68 LEU HA H 1 3.847 0.02 . 1 . . . . 65 LEU HA . 7243 1 700 . 1 1 68 68 LEU HB2 H 1 1.000 0.02 . 2 . . . . 65 LEU HB2 . 7243 1 701 . 1 1 68 68 LEU HB3 H 1 1.658 0.02 . 2 . . . . 65 LEU HB3 . 7243 1 702 . 1 1 68 68 LEU HG H 1 0.837 0.02 . 1 . . . . 65 LEU HG . 7243 1 703 . 1 1 68 68 LEU HD11 H 1 0.623 0.02 . 1 . . . . 65 LEU HD1 . 7243 1 704 . 1 1 68 68 LEU HD12 H 1 0.623 0.02 . 1 . . . . 65 LEU HD1 . 7243 1 705 . 1 1 68 68 LEU HD13 H 1 0.623 0.02 . 1 . . . . 65 LEU HD1 . 7243 1 706 . 1 1 68 68 LEU HD21 H 1 -0.079 0.02 . 1 . . . . 65 LEU HD2 . 7243 1 707 . 1 1 68 68 LEU HD22 H 1 -0.079 0.02 . 1 . . . . 65 LEU HD2 . 7243 1 708 . 1 1 68 68 LEU HD23 H 1 -0.079 0.02 . 1 . . . . 65 LEU HD2 . 7243 1 709 . 1 1 68 68 LEU C C 13 175.042 0.10 . 1 . . . . 65 LEU C . 7243 1 710 . 1 1 68 68 LEU CA C 13 54.393 0.10 . 1 . . . . 65 LEU CA . 7243 1 711 . 1 1 68 68 LEU CB C 13 42.295 0.10 . 1 . . . . 65 LEU CB . 7243 1 712 . 1 1 68 68 LEU CG C 13 26.44 0.10 . 1 . . . . 65 LEU CG . 7243 1 713 . 1 1 68 68 LEU CD1 C 13 21.15 0.10 . 2 . . . . 65 LEU CD1 . 7243 1 714 . 1 1 68 68 LEU CD2 C 13 26.63 0.10 . 2 . . . . 65 LEU CD2 . 7243 1 715 . 1 1 68 68 LEU N N 15 131.264 0.10 . 1 . . . . 65 LEU N . 7243 1 716 . 1 1 69 69 ASN H H 1 8.735 0.02 . 1 . . . . 66 ASN H . 7243 1 717 . 1 1 69 69 ASN HA H 1 4.757 0.02 . 1 . . . . 66 ASN HA . 7243 1 718 . 1 1 69 69 ASN HB2 H 1 2.698 0.02 . 2 . . . . 66 ASN HB2 . 7243 1 719 . 1 1 69 69 ASN HB3 H 1 3.240 0.02 . 2 . . . . 66 ASN HB3 . 7243 1 720 . 1 1 69 69 ASN HD21 H 1 7.436 0.02 . 2 . . . . 66 ASN HD21 . 7243 1 721 . 1 1 69 69 ASN HD22 H 1 6.959 0.02 . 2 . . . . 66 ASN HD22 . 7243 1 722 . 1 1 69 69 ASN CA C 13 52.206 0.10 . 1 . . . . 66 ASN CA . 7243 1 723 . 1 1 69 69 ASN CB C 13 38.62 0.10 . 1 . . . . 66 ASN CB . 7243 1 724 . 1 1 69 69 ASN N N 15 127.738 0.10 . 1 . . . . 66 ASN N . 7243 1 725 . 1 1 69 69 ASN ND2 N 15 113.601 0.10 . 1 . . . . 66 ASN ND2 . 7243 1 726 . 1 1 70 70 LYS H H 1 8.847 0.02 . 1 . . . . 67 LYS H . 7243 1 727 . 1 1 70 70 LYS HA H 1 3.937 0.02 . 1 . . . . 67 LYS HA . 7243 1 728 . 1 1 70 70 LYS HB2 H 1 2.052 0.02 . 2 . . . . 67 LYS HB2 . 7243 1 729 . 1 1 70 70 LYS HB3 H 1 1.720 0.02 . 2 . . . . 67 LYS HB3 . 7243 1 730 . 1 1 70 70 LYS HG2 H 1 1.260 0.02 . 2 . . . . 67 LYS HG2 . 7243 1 731 . 1 1 70 70 LYS HD2 H 1 1.710 0.02 . 2 . . . . 67 LYS HD2 . 7243 1 732 . 1 1 70 70 LYS HD3 H 1 2.052 0.02 . 2 . . . . 67 LYS HD3 . 7243 1 733 . 1 1 70 70 LYS HE2 H 1 2.912 0.02 . 2 . . . . 67 LYS HE2 . 7243 1 734 . 1 1 70 70 LYS HE3 H 1 2.986 0.02 . 2 . . . . 67 LYS HE3 . 7243 1 735 . 1 1 70 70 LYS C C 13 176.264 0.10 . 1 . . . . 67 LYS C . 7243 1 736 . 1 1 70 70 LYS CA C 13 58.688 0.10 . 1 . . . . 67 LYS CA . 7243 1 737 . 1 1 70 70 LYS CB C 13 32.103 0.10 . 1 . . . . 67 LYS CB . 7243 1 738 . 1 1 70 70 LYS N N 15 125.939 0.10 . 1 . . . . 67 LYS N . 7243 1 739 . 1 1 71 71 LYS H H 1 8.370 0.02 . 1 . . . . 68 LYS H . 7243 1 740 . 1 1 71 71 LYS HA H 1 4.232 0.02 . 1 . . . . 68 LYS HA . 7243 1 741 . 1 1 71 71 LYS HB2 H 1 1.990 0.02 . 2 . . . . 68 LYS HB2 . 7243 1 742 . 1 1 71 71 LYS HB3 H 1 1.917 0.02 . 2 . . . . 68 LYS HB3 . 7243 1 743 . 1 1 71 71 LYS HG2 H 1 1.397 0.02 . 2 . . . . 68 LYS HG2 . 7243 1 744 . 1 1 71 71 LYS HG3 H 1 1.505 0.02 . 2 . . . . 68 LYS HG3 . 7243 1 745 . 1 1 71 71 LYS HD2 H 1 1.699 0.02 . 2 . . . . 68 LYS HD2 . 7243 1 746 . 1 1 71 71 LYS HE2 H 1 2.992 0.02 . 2 . . . . 68 LYS HE2 . 7243 1 747 . 1 1 71 71 LYS C C 13 178.319 0.10 . 1 . . . . 68 LYS C . 7243 1 748 . 1 1 71 71 LYS CA C 13 58.615 0.10 . 1 . . . . 68 LYS CA . 7243 1 749 . 1 1 71 71 LYS CB C 13 32.270 0.10 . 1 . . . . 68 LYS CB . 7243 1 750 . 1 1 71 71 LYS N N 15 118.928 0.10 . 1 . . . . 68 LYS N . 7243 1 751 . 1 1 72 72 THR H H 1 7.111 0.02 . 1 . . . . 69 THR H . 7243 1 752 . 1 1 72 72 THR HA H 1 4.284 0.02 . 1 . . . . 69 THR HA . 7243 1 753 . 1 1 72 72 THR HB H 1 4.372 0.02 . 1 . . . . 69 THR HB . 7243 1 754 . 1 1 72 72 THR HG21 H 1 1.043 0.02 . 1 . . . . 69 THR HG1 . 7243 1 755 . 1 1 72 72 THR HG22 H 1 1.043 0.02 . 1 . . . . 69 THR HG1 . 7243 1 756 . 1 1 72 72 THR HG23 H 1 1.043 0.02 . 1 . . . . 69 THR HG1 . 7243 1 757 . 1 1 72 72 THR C C 13 174.982 0.10 . 1 . . . . 69 THR C . 7243 1 758 . 1 1 72 72 THR CA C 13 60.992 0.10 . 1 . . . . 69 THR CA . 7243 1 759 . 1 1 72 72 THR CB C 13 69.471 0.10 . 1 . . . . 69 THR CB . 7243 1 760 . 1 1 72 72 THR CG2 C 13 22.43 0.10 . 1 . . . . 69 THR CG2 . 7243 1 761 . 1 1 72 72 THR N N 15 105.649 0.10 . 1 . . . . 69 THR N . 7243 1 762 . 1 1 73 73 CYS H H 1 8.243 0.02 . 1 . . . . 70 CYS H . 7243 1 763 . 1 1 73 73 CYS HA H 1 4.277 0.02 . 1 . . . . 70 CYS HA . 7243 1 764 . 1 1 73 73 CYS HB2 H 1 2.923 0.02 . 2 . . . . 70 CYS HB2 . 7243 1 765 . 1 1 73 73 CYS HB3 H 1 3.017 0.02 . 2 . . . . 70 CYS HB3 . 7243 1 766 . 1 1 73 73 CYS C C 13 173.398 0.10 . 1 . . . . 70 CYS C . 7243 1 767 . 1 1 73 73 CYS CA C 13 55.469 0.10 . 1 . . . . 70 CYS CA . 7243 1 768 . 1 1 73 73 CYS CB C 13 35.693 0.10 . 1 . . . . 70 CYS CB . 7243 1 769 . 1 1 73 73 CYS N N 15 119.729 0.10 . 1 . . . . 70 CYS N . 7243 1 770 . 1 1 74 74 THR H H 1 7.342 0.02 . 1 . . . . 71 THR H . 7243 1 771 . 1 1 74 74 THR HA H 1 4.747 0.02 . 1 . . . . 71 THR HA . 7243 1 772 . 1 1 74 74 THR HB H 1 4.035 0.02 . 1 . . . . 71 THR HB . 7243 1 773 . 1 1 74 74 THR HG21 H 1 1.131 0.02 . 1 . . . . 71 THR HG2 . 7243 1 774 . 1 1 74 74 THR HG22 H 1 1.131 0.02 . 1 . . . . 71 THR HG2 . 7243 1 775 . 1 1 74 74 THR HG23 H 1 1.131 0.02 . 1 . . . . 71 THR HG2 . 7243 1 776 . 1 1 74 74 THR C C 13 173.681 0.10 . 1 . . . . 71 THR C . 7243 1 777 . 1 1 74 74 THR CA C 13 59.538 0.10 . 1 . . . . 71 THR CA . 7243 1 778 . 1 1 74 74 THR CB C 13 72.384 0.10 . 1 . . . . 71 THR CB . 7243 1 779 . 1 1 74 74 THR CG2 C 13 22.01 0.10 . 1 . . . . 71 THR CG2 . 7243 1 780 . 1 1 74 74 THR N N 15 108.284 0.10 . 1 . . . . 71 THR N . 7243 1 781 . 1 1 75 75 TYR H H 1 9.525 0.02 . 1 . . . . 72 TYR H . 7243 1 782 . 1 1 75 75 TYR HA H 1 5.425 0.02 . 1 . . . . 72 TYR HA . 7243 1 783 . 1 1 75 75 TYR HB2 H 1 2.783 0.02 . 2 . . . . 72 TYR HB2 . 7243 1 784 . 1 1 75 75 TYR HB3 H 1 3.144 0.02 . 2 . . . . 72 TYR HB3 . 7243 1 785 . 1 1 75 75 TYR HD1 H 1 7.155 0.02 . 3 . . . . 72 TYR HD1 . 7243 1 786 . 1 1 75 75 TYR HE1 H 1 6.737 0.02 . 3 . . . . 72 TYR HE1 . 7243 1 787 . 1 1 75 75 TYR C C 13 176.458 0.10 . 1 . . . . 72 TYR C . 7243 1 788 . 1 1 75 75 TYR CA C 13 58.598 0.10 . 1 . . . . 72 TYR CA . 7243 1 789 . 1 1 75 75 TYR CB C 13 41.824 0.10 . 1 . . . . 72 TYR CB . 7243 1 790 . 1 1 75 75 TYR N N 15 123.289 0.10 . 1 . . . . 72 TYR N . 7243 1 791 . 1 1 76 76 THR H H 1 8.734 0.02 . 1 . . . . 73 THR H . 7243 1 792 . 1 1 76 76 THR HA H 1 4.712 0.02 . 1 . . . . 73 THR HA . 7243 1 793 . 1 1 76 76 THR HB H 1 4.075 0.02 . 1 . . . . 73 THR HB . 7243 1 794 . 1 1 76 76 THR HG21 H 1 1.239 0.02 . 1 . . . . 73 THR HG2 . 7243 1 795 . 1 1 76 76 THR HG22 H 1 1.239 0.02 . 1 . . . . 73 THR HG2 . 7243 1 796 . 1 1 76 76 THR HG23 H 1 1.239 0.02 . 1 . . . . 73 THR HG2 . 7243 1 797 . 1 1 76 76 THR C C 13 172.875 0.10 . 1 . . . . 73 THR C . 7243 1 798 . 1 1 76 76 THR CA C 13 60.372 0.10 . 1 . . . . 73 THR CA . 7243 1 799 . 1 1 76 76 THR CB C 13 71.391 0.10 . 1 . . . . 73 THR CB . 7243 1 800 . 1 1 76 76 THR CG2 C 13 22.19 0.10 . 1 . . . . 73 THR CG2 . 7243 1 801 . 1 1 76 76 THR N N 15 113.841 0.10 . 1 . . . . 73 THR N . 7243 1 802 . 1 1 77 77 VAL H H 1 8.435 0.02 . 1 . . . . 74 VAL H . 7243 1 803 . 1 1 77 77 VAL HA H 1 4.741 0.02 . 1 . . . . 74 VAL HA . 7243 1 804 . 1 1 77 77 VAL HB H 1 1.624 0.02 . 1 . . . . 74 VAL HB . 7243 1 805 . 1 1 77 77 VAL HG11 H 1 0.215 0.02 . 1 . . . . 74 VAL HG1 . 7243 1 806 . 1 1 77 77 VAL HG12 H 1 0.215 0.02 . 1 . . . . 74 VAL HG1 . 7243 1 807 . 1 1 77 77 VAL HG13 H 1 0.215 0.02 . 1 . . . . 74 VAL HG1 . 7243 1 808 . 1 1 77 77 VAL HG21 H 1 0.026 0.02 . 1 . . . . 74 VAL HG2 . 7243 1 809 . 1 1 77 77 VAL HG22 H 1 0.026 0.02 . 1 . . . . 74 VAL HG2 . 7243 1 810 . 1 1 77 77 VAL HG23 H 1 0.026 0.02 . 1 . . . . 74 VAL HG2 . 7243 1 811 . 1 1 77 77 VAL C C 13 175.333 0.10 . 1 . . . . 74 VAL C . 7243 1 812 . 1 1 77 77 VAL CA C 13 61.716 0.10 . 1 . . . . 74 VAL CA . 7243 1 813 . 1 1 77 77 VAL CB C 13 32.032 0.10 . 1 . . . . 74 VAL CB . 7243 1 814 . 1 1 77 77 VAL CG1 C 13 22.09 0.10 . 2 . . . . 74 VAL CG1 . 7243 1 815 . 1 1 77 77 VAL CG2 C 13 22.69 0.10 . 2 . . . . 74 VAL CG2 . 7243 1 816 . 1 1 77 77 VAL N N 15 124.490 0.10 . 1 . . . . 74 VAL N . 7243 1 817 . 1 1 78 78 VAL H H 1 8.411 0.02 . 1 . . . . 75 VAL H . 7243 1 818 . 1 1 78 78 VAL HA H 1 5.285 0.02 . 1 . . . . 75 VAL HA . 7243 1 819 . 1 1 78 78 VAL HB H 1 2.301 0.02 . 1 . . . . 75 VAL HB . 7243 1 820 . 1 1 78 78 VAL HG11 H 1 0.791 0.02 . 1 . . . . 75 VAL HG1 . 7243 1 821 . 1 1 78 78 VAL HG12 H 1 0.791 0.02 . 1 . . . . 75 VAL HG1 . 7243 1 822 . 1 1 78 78 VAL HG13 H 1 0.791 0.02 . 1 . . . . 75 VAL HG1 . 7243 1 823 . 1 1 78 78 VAL HG21 H 1 0.748 0.02 . 1 . . . . 75 VAL HG2 . 7243 1 824 . 1 1 78 78 VAL HG22 H 1 0.748 0.02 . 1 . . . . 75 VAL HG2 . 7243 1 825 . 1 1 78 78 VAL HG23 H 1 0.748 0.02 . 1 . . . . 75 VAL HG2 . 7243 1 826 . 1 1 78 78 VAL C C 13 175.800 0.10 . 1 . . . . 75 VAL C . 7243 1 827 . 1 1 78 78 VAL CA C 13 58.277 0.10 . 1 . . . . 75 VAL CA . 7243 1 828 . 1 1 78 78 VAL CB C 13 36.282 0.10 . 1 . . . . 75 VAL CB . 7243 1 829 . 1 1 78 78 VAL CG1 C 13 21.74 0.10 . 2 . . . . 75 VAL CG1 . 7243 1 830 . 1 1 78 78 VAL CG2 C 13 18.43 0.10 . 2 . . . . 75 VAL CG2 . 7243 1 831 . 1 1 78 78 VAL N N 15 119.735 0.10 . 1 . . . . 75 VAL N . 7243 1 832 . 1 1 79 79 GLU H H 1 8.352 0.02 . 1 . . . . 76 GLU H . 7243 1 833 . 1 1 79 79 GLU HA H 1 4.345 0.02 . 1 . . . . 76 GLU HA . 7243 1 834 . 1 1 79 79 GLU HB2 H 1 2.210 0.02 . 2 . . . . 76 GLU HB2 . 7243 1 835 . 1 1 79 79 GLU HB3 H 1 2.078 0.02 . 2 . . . . 76 GLU HB3 . 7243 1 836 . 1 1 79 79 GLU HG2 H 1 2.408 0.02 . 2 . . . . 76 GLU HG2 . 7243 1 837 . 1 1 79 79 GLU HG3 H 1 2.085 0.02 . 2 . . . . 76 GLU HG3 . 7243 1 838 . 1 1 79 79 GLU C C 13 178.111 0.10 . 1 . . . . 76 GLU C . 7243 1 839 . 1 1 79 79 GLU CA C 13 58.049 0.10 . 1 . . . . 76 GLU CA . 7243 1 840 . 1 1 79 79 GLU CB C 13 29.499 0.10 . 1 . . . . 76 GLU CB . 7243 1 841 . 1 1 79 79 GLU N N 15 122.225 0.10 . 1 . . . . 76 GLU N . 7243 1 842 . 1 1 80 80 LYS H H 1 8.664 0.02 . 1 . . . . 77 LYS H . 7243 1 843 . 1 1 80 80 LYS HA H 1 3.875 0.02 . 1 . . . . 77 LYS HA . 7243 1 844 . 1 1 80 80 LYS HB2 H 1 1.818 0.02 . 2 . . . . 77 LYS HB2 . 7243 1 845 . 1 1 80 80 LYS HG2 H 1 0.999 0.02 . 2 . . . . 77 LYS HG2 . 7243 1 846 . 1 1 80 80 LYS HG3 H 1 1.201 0.02 . 2 . . . . 77 LYS HG3 . 7243 1 847 . 1 1 80 80 LYS HD2 H 1 1.574 0.02 . 2 . . . . 77 LYS HD2 . 7243 1 848 . 1 1 80 80 LYS HE2 H 1 2.818 0.02 . 2 . . . . 77 LYS HE2 . 7243 1 849 . 1 1 80 80 LYS C C 13 178.707 0.10 . 1 . . . . 77 LYS C . 7243 1 850 . 1 1 80 80 LYS CA C 13 59.721 0.10 . 1 . . . . 77 LYS CA . 7243 1 851 . 1 1 80 80 LYS CB C 13 33.072 0.10 . 1 . . . . 77 LYS CB . 7243 1 852 . 1 1 80 80 LYS CG C 13 27.23 0.10 . 1 . . . . 77 LYS CG . 7243 1 853 . 1 1 80 80 LYS N N 15 122.438 0.10 . 1 . . . . 77 LYS N . 7243 1 854 . 1 1 81 81 LYS H H 1 8.172 0.02 . 1 . . . . 78 LYS H . 7243 1 855 . 1 1 81 81 LYS HA H 1 4.252 0.02 . 1 . . . . 78 LYS HA . 7243 1 856 . 1 1 81 81 LYS HB2 H 1 1.924 0.02 . 2 . . . . 78 LYS HB2 . 7243 1 857 . 1 1 81 81 LYS HB3 H 1 1.822 0.02 . 2 . . . . 78 LYS HB3 . 7243 1 858 . 1 1 81 81 LYS HG2 H 1 1.572 0.02 . 2 . . . . 78 LYS HG2 . 7243 1 859 . 1 1 81 81 LYS HG3 H 1 1.452 0.02 . 2 . . . . 78 LYS HG3 . 7243 1 860 . 1 1 81 81 LYS HE2 H 1 3.008 0.02 . 2 . . . . 78 LYS HE2 . 7243 1 861 . 1 1 81 81 LYS C C 13 176.139 0.10 . 1 . . . . 78 LYS C . 7243 1 862 . 1 1 81 81 LYS CA C 13 56.709 0.10 . 1 . . . . 78 LYS CA . 7243 1 863 . 1 1 81 81 LYS CB C 13 32.661 0.10 . 1 . . . . 78 LYS CB . 7243 1 864 . 1 1 81 81 LYS N N 15 114.152 0.10 . 1 . . . . 78 LYS N . 7243 1 865 . 1 1 82 82 ASP H H 1 6.696 0.02 . 1 . . . . 79 ASP H . 7243 1 866 . 1 1 82 82 ASP HA H 1 4.871 0.02 . 1 . . . . 79 ASP HA . 7243 1 867 . 1 1 82 82 ASP HB2 H 1 2.463 0.02 . 2 . . . . 79 ASP HB2 . 7243 1 868 . 1 1 82 82 ASP HB3 H 1 2.920 0.02 . 2 . . . . 79 ASP HB3 . 7243 1 869 . 1 1 82 82 ASP CA C 13 51.680 0.10 . 1 . . . . 79 ASP CA . 7243 1 870 . 1 1 82 82 ASP CB C 13 41.46 0.10 . 1 . . . . 79 ASP CB . 7243 1 871 . 1 1 82 82 ASP N N 15 114.886 0.10 . 1 . . . . 79 ASP N . 7243 1 872 . 1 1 83 83 PRO HA H 1 4.572 0.02 . 1 . . . . 80 PRO HA . 7243 1 873 . 1 1 83 83 PRO HB2 H 1 2.265 0.02 . 2 . . . . 80 PRO HB2 . 7243 1 874 . 1 1 83 83 PRO HG2 H 1 1.956 0.02 . 2 . . . . 80 PRO HG2 . 7243 1 875 . 1 1 83 83 PRO HG3 H 1 1.944 0.02 . 2 . . . . 80 PRO HG3 . 7243 1 876 . 1 1 83 83 PRO HD2 H 1 3.468 0.02 . 2 . . . . 80 PRO HD2 . 7243 1 877 . 1 1 83 83 PRO HD3 H 1 3.800 0.02 . 2 . . . . 80 PRO HD3 . 7243 1 878 . 1 1 83 83 PRO C C 13 176.319 0.10 . 1 . . . . 80 PRO C . 7243 1 879 . 1 1 83 83 PRO CA C 13 63.645 0.10 . 1 . . . . 80 PRO CA . 7243 1 880 . 1 1 83 83 PRO CB C 13 31.767 0.10 . 1 . . . . 80 PRO CB . 7243 1 881 . 1 1 83 83 PRO CG C 13 27.30 0.10 . 1 . . . . 80 PRO CG . 7243 1 882 . 1 1 83 83 PRO CD C 13 50.52 0.10 . 1 . . . . 80 PRO CD . 7243 1 883 . 1 1 84 84 GLY H H 1 8.128 0.02 . 1 . . . . 81 GLY H . 7243 1 884 . 1 1 84 84 GLY HA2 H 1 3.652 0.02 . 2 . . . . 81 GLY HA2 . 7243 1 885 . 1 1 84 84 GLY HA3 H 1 4.148 0.02 . 2 . . . . 81 GLY HA3 . 7243 1 886 . 1 1 84 84 GLY C C 13 173.879 0.10 . 1 . . . . 81 GLY C . 7243 1 887 . 1 1 84 84 GLY CA C 13 45.293 0.10 . 1 . . . . 81 GLY CA . 7243 1 888 . 1 1 84 84 GLY N N 15 105.995 0.10 . 1 . . . . 81 GLY N . 7243 1 889 . 1 1 85 85 LYS H H 1 8.199 0.02 . 1 . . . . 82 LYS H . 7243 1 890 . 1 1 85 85 LYS HA H 1 4.633 0.02 . 1 . . . . 82 LYS HA . 7243 1 891 . 1 1 85 85 LYS HB2 H 1 1.726 0.02 . 2 . . . . 82 LYS HB2 . 7243 1 892 . 1 1 85 85 LYS HB3 H 1 1.851 0.02 . 2 . . . . 82 LYS HB3 . 7243 1 893 . 1 1 85 85 LYS HG2 H 1 1.367 0.02 . 2 . . . . 82 LYS HG2 . 7243 1 894 . 1 1 85 85 LYS HG3 H 1 1.324 0.02 . 2 . . . . 82 LYS HG3 . 7243 1 895 . 1 1 85 85 LYS HD2 H 1 1.664 0.02 . 2 . . . . 82 LYS HD2 . 7243 1 896 . 1 1 85 85 LYS HE2 H 1 3.008 0.02 . 2 . . . . 82 LYS HE2 . 7243 1 897 . 1 1 85 85 LYS C C 13 175.198 0.10 . 1 . . . . 82 LYS C . 7243 1 898 . 1 1 85 85 LYS CA C 13 54.643 0.10 . 1 . . . . 82 LYS CA . 7243 1 899 . 1 1 85 85 LYS CB C 13 33.778 0.10 . 1 . . . . 82 LYS CB . 7243 1 900 . 1 1 85 85 LYS N N 15 124.275 0.10 . 1 . . . . 82 LYS N . 7243 1 901 . 1 1 86 86 THR H H 1 8.114 0.02 . 1 . . . . 83 THR H . 7243 1 902 . 1 1 86 86 THR HA H 1 4.767 0.02 . 1 . . . . 83 THR HA . 7243 1 903 . 1 1 86 86 THR HB H 1 4.311 0.02 . 1 . . . . 83 THR HB . 7243 1 904 . 1 1 86 86 THR HG21 H 1 1.304 0.02 . 1 . . . . 83 THR HG2 . 7243 1 905 . 1 1 86 86 THR HG22 H 1 1.304 0.02 . 1 . . . . 83 THR HG2 . 7243 1 906 . 1 1 86 86 THR HG23 H 1 1.304 0.02 . 1 . . . . 83 THR HG2 . 7243 1 907 . 1 1 86 86 THR C C 13 175.126 0.10 . 1 . . . . 83 THR C . 7243 1 908 . 1 1 86 86 THR CA C 13 61.776 0.10 . 1 . . . . 83 THR CA . 7243 1 909 . 1 1 86 86 THR CB C 13 70.358 0.10 . 1 . . . . 83 THR CB . 7243 1 910 . 1 1 86 86 THR CG2 C 13 22.37 0.10 . 1 . . . . 83 THR CG2 . 7243 1 911 . 1 1 86 86 THR N N 15 115.953 0.10 . 1 . . . . 83 THR N . 7243 1 912 . 1 1 87 87 CYS H H 1 8.02 0.02 . 1 . . . . 84 CYS H . 7243 1 913 . 1 1 87 87 CYS HA H 1 4.916 0.02 . 1 . . . . 84 CYS HA . 7243 1 914 . 1 1 87 87 CYS HB2 H 1 3.046 0.02 . 2 . . . . 84 CYS HB2 . 7243 1 915 . 1 1 87 87 CYS HB3 H 1 3.248 0.02 . 2 . . . . 84 CYS HB3 . 7243 1 916 . 1 1 87 87 CYS C C 13 172.677 0.10 . 1 . . . . 84 CYS C . 7243 1 917 . 1 1 87 87 CYS CA C 13 54.550 0.10 . 1 . . . . 84 CYS CA . 7243 1 918 . 1 1 87 87 CYS CB C 13 47.811 0.10 . 1 . . . . 84 CYS CB . 7243 1 919 . 1 1 87 87 CYS N N 15 119.968 0.10 . 1 . . . . 84 CYS N . 7243 1 920 . 1 1 88 88 ASP H H 1 8.350 0.02 . 1 . . . . 85 ASP H . 7243 1 921 . 1 1 88 88 ASP HA H 1 4.518 0.02 . 1 . . . . 85 ASP HA . 7243 1 922 . 1 1 88 88 ASP HB2 H 1 2.609 0.02 . 2 . . . . 85 ASP HB2 . 7243 1 923 . 1 1 88 88 ASP HB3 H 1 2.490 0.02 . 2 . . . . 85 ASP HB3 . 7243 1 924 . 1 1 88 88 ASP C C 13 175.166 0.10 . 1 . . . . 85 ASP C . 7243 1 925 . 1 1 88 88 ASP CA C 13 55.238 0.10 . 1 . . . . 85 ASP CA . 7243 1 926 . 1 1 88 88 ASP CB C 13 41.588 0.10 . 1 . . . . 85 ASP CB . 7243 1 927 . 1 1 88 88 ASP N N 15 122.353 0.10 . 1 . . . . 85 ASP N . 7243 1 928 . 1 1 89 89 VAL H H 1 8.095 0.02 . 1 . . . . 86 VAL H . 7243 1 929 . 1 1 89 89 VAL HA H 1 4.217 0.02 . 1 . . . . 86 VAL HA . 7243 1 930 . 1 1 89 89 VAL HB H 1 2.005 0.02 . 1 . . . . 86 VAL HB . 7243 1 931 . 1 1 89 89 VAL HG11 H 1 0.421 0.02 . 1 . . . . 86 VAL HG1 . 7243 1 932 . 1 1 89 89 VAL HG12 H 1 0.421 0.02 . 1 . . . . 86 VAL HG1 . 7243 1 933 . 1 1 89 89 VAL HG13 H 1 0.421 0.02 . 1 . . . . 86 VAL HG1 . 7243 1 934 . 1 1 89 89 VAL HG21 H 1 0.619 0.02 . 1 . . . . 86 VAL HG2 . 7243 1 935 . 1 1 89 89 VAL HG22 H 1 0.619 0.02 . 1 . . . . 86 VAL HG2 . 7243 1 936 . 1 1 89 89 VAL HG23 H 1 0.619 0.02 . 1 . . . . 86 VAL HG2 . 7243 1 937 . 1 1 89 89 VAL C C 13 176.387 0.10 . 1 . . . . 86 VAL C . 7243 1 938 . 1 1 89 89 VAL CA C 13 61.017 0.10 . 1 . . . . 86 VAL CA . 7243 1 939 . 1 1 89 89 VAL CB C 13 34.855 0.10 . 1 . . . . 86 VAL CB . 7243 1 940 . 1 1 89 89 VAL CG1 C 13 21.10 0.10 . 2 . . . . 86 VAL CG1 . 7243 1 941 . 1 1 89 89 VAL CG2 C 13 22.29 0.10 . 2 . . . . 86 VAL CG2 . 7243 1 942 . 1 1 89 89 VAL N N 15 119.986 0.10 . 1 . . . . 86 VAL N . 7243 1 943 . 1 1 90 90 THR H H 1 8.185 0.02 . 1 . . . . 87 THR H . 7243 1 944 . 1 1 90 90 THR HA H 1 4.371 0.02 . 1 . . . . 87 THR HA . 7243 1 945 . 1 1 90 90 THR HB H 1 4.352 0.02 . 1 . . . . 87 THR HB . 7243 1 946 . 1 1 90 90 THR HG21 H 1 1.170 0.02 . 1 . . . . 87 THR HG2 . 7243 1 947 . 1 1 90 90 THR HG22 H 1 1.170 0.02 . 1 . . . . 87 THR HG2 . 7243 1 948 . 1 1 90 90 THR HG23 H 1 1.170 0.02 . 1 . . . . 87 THR HG2 . 7243 1 949 . 1 1 90 90 THR C C 13 174.574 0.10 . 1 . . . . 87 THR C . 7243 1 950 . 1 1 90 90 THR CA C 13 63.172 0.10 . 1 . . . . 87 THR CA . 7243 1 951 . 1 1 90 90 THR CB C 13 69.382 0.10 . 1 . . . . 87 THR CB . 7243 1 952 . 1 1 90 90 THR CG2 C 13 21.79 0.10 . 1 . . . . 87 THR CG2 . 7243 1 953 . 1 1 90 90 THR N N 15 117.013 0.10 . 1 . . . . 87 THR N . 7243 1 954 . 1 1 91 91 GLY H H 1 7.449 0.02 . 1 . . . . 88 GLY H . 7243 1 955 . 1 1 91 91 GLY HA2 H 1 3.745 0.02 . 2 . . . . 88 GLY HA2 . 7243 1 956 . 1 1 91 91 GLY HA3 H 1 4.205 0.02 . 2 . . . . 88 GLY HA3 . 7243 1 957 . 1 1 91 91 GLY C C 13 170.051 0.10 . 1 . . . . 88 GLY C . 7243 1 958 . 1 1 91 91 GLY CA C 13 45.410 0.10 . 1 . . . . 88 GLY CA . 7243 1 959 . 1 1 91 91 GLY N N 15 110.579 0.10 . 1 . . . . 88 GLY N . 7243 1 960 . 1 1 92 92 TRP H H 1 8.093 0.02 . 1 . . . . 89 TRP H . 7243 1 961 . 1 1 92 92 TRP HA H 1 5.171 0.02 . 1 . . . . 89 TRP HA . 7243 1 962 . 1 1 92 92 TRP HB2 H 1 2.854 0.02 . 2 . . . . 89 TRP HB2 . 7243 1 963 . 1 1 92 92 TRP HB3 H 1 2.941 0.02 . 2 . . . . 89 TRP HB3 . 7243 1 964 . 1 1 92 92 TRP HD1 H 1 7.093 0.02 . 1 . . . . 89 TRP HD1 . 7243 1 965 . 1 1 92 92 TRP HE1 H 1 10.138 0.02 . 1 . . . . 89 TRP HE1 . 7243 1 966 . 1 1 92 92 TRP HE3 H 1 7.209 0.02 . 1 . . . . 89 TRP HE3 . 7243 1 967 . 1 1 92 92 TRP HZ2 H 1 7.496 0.02 . 1 . . . . 89 TRP HZ2 . 7243 1 968 . 1 1 92 92 TRP HZ3 H 1 7.109 0.02 . 1 . . . . 89 TRP HZ3 . 7243 1 969 . 1 1 92 92 TRP HH2 H 1 7.196 0.02 . 1 . . . . 89 TRP HH2 . 7243 1 970 . 1 1 92 92 TRP C C 13 176.022 0.10 . 1 . . . . 89 TRP C . 7243 1 971 . 1 1 92 92 TRP CA C 13 56.150 0.10 . 1 . . . . 89 TRP CA . 7243 1 972 . 1 1 92 92 TRP CB C 13 32.191 0.10 . 1 . . . . 89 TRP CB . 7243 1 973 . 1 1 92 92 TRP N N 15 119.559 0.10 . 1 . . . . 89 TRP N . 7243 1 974 . 1 1 92 92 TRP NE1 N 15 130.821 0.10 . 1 . . . . 89 TRP NE1 . 7243 1 975 . 1 1 93 93 VAL H H 1 9.334 0.02 . 1 . . . . 90 VAL H . 7243 1 976 . 1 1 93 93 VAL HA H 1 4.381 0.02 . 1 . . . . 90 VAL HA . 7243 1 977 . 1 1 93 93 VAL HB H 1 2.056 0.02 . 1 . . . . 90 VAL HB . 7243 1 978 . 1 1 93 93 VAL HG11 H 1 0.904 0.02 . 1 . . . . 90 VAL HG1 . 7243 1 979 . 1 1 93 93 VAL HG12 H 1 0.904 0.02 . 1 . . . . 90 VAL HG1 . 7243 1 980 . 1 1 93 93 VAL HG13 H 1 0.904 0.02 . 1 . . . . 90 VAL HG1 . 7243 1 981 . 1 1 93 93 VAL HG21 H 1 0.872 0.02 . 1 . . . . 90 VAL HG2 . 7243 1 982 . 1 1 93 93 VAL HG22 H 1 0.872 0.02 . 1 . . . . 90 VAL HG2 . 7243 1 983 . 1 1 93 93 VAL HG23 H 1 0.872 0.02 . 1 . . . . 90 VAL HG2 . 7243 1 984 . 1 1 93 93 VAL C C 13 174.209 0.10 . 1 . . . . 90 VAL C . 7243 1 985 . 1 1 93 93 VAL CA C 13 61.837 0.10 . 1 . . . . 90 VAL CA . 7243 1 986 . 1 1 93 93 VAL CB C 13 34.385 0.10 . 1 . . . . 90 VAL CB . 7243 1 987 . 1 1 93 93 VAL CG1 C 13 21.54 0.10 . 2 . . . . 90 VAL CG1 . 7243 1 988 . 1 1 93 93 VAL CG2 C 13 20.81 0.10 . 2 . . . . 90 VAL CG2 . 7243 1 989 . 1 1 93 93 VAL N N 15 124.266 0.10 . 1 . . . . 90 VAL N . 7243 1 990 . 1 1 94 94 LEU H H 1 7.964 0.02 . 1 . . . . 91 LEU H . 7243 1 991 . 1 1 94 94 LEU HA H 1 4.360 0.02 . 1 . . . . 91 LEU HA . 7243 1 992 . 1 1 94 94 LEU HB2 H 1 1.467 0.02 . 2 . . . . 91 LEU HB2 . 7243 1 993 . 1 1 94 94 LEU HB3 H 1 1.631 0.02 . 2 . . . . 91 LEU HB3 . 7243 1 994 . 1 1 94 94 LEU HG H 1 1.577 0.02 . 1 . . . . 91 LEU HG . 7243 1 995 . 1 1 94 94 LEU HD11 H 1 0.836 0.02 . 1 . . . . 91 LEU HD1 . 7243 1 996 . 1 1 94 94 LEU HD12 H 1 0.836 0.02 . 1 . . . . 91 LEU HD1 . 7243 1 997 . 1 1 94 94 LEU HD13 H 1 0.836 0.02 . 1 . . . . 91 LEU HD1 . 7243 1 998 . 1 1 94 94 LEU CA C 13 57.035 0.10 . 1 . . . . 91 LEU CA . 7243 1 999 . 1 1 94 94 LEU CB C 13 44.45 0.10 . 1 . . . . 91 LEU CB . 7243 1 1000 . 1 1 94 94 LEU CD1 C 13 24.70 0.10 . 2 . . . . 91 LEU CD1 . 7243 1 1001 . 1 1 94 94 LEU N N 15 133.316 0.10 . 1 . . . . 91 LEU N . 7243 1 stop_ save_