data_10091 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10091 _Entry.Title ; Solution structure of the C-terminal ubiquitin-like domain of mouse tubulin-specific chaperone e ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-24 _Entry.Accession_date 2007-01-25 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _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 M. Sato . . . 10091 2 N. Tochio . . . 10091 3 S. Koshiba . . . 10091 4 M. Inoue . . . 10091 5 T. Kigawa . . . 10091 6 S. Yokoyama . . . 10091 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10091 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10091 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 10091 '15N chemical shifts' 96 10091 '1H chemical shifts' 689 10091 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-14 2007-01-24 original author . 10091 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJN 'BMRB Entry Tracking System' 10091 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10091 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the C-terminal ubiquitin-like domain of mouse tubulin-specific chaperone e ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 M. Sato . . . 10091 1 2 N. Tochio . . . 10091 1 3 S. Koshiba . . . 10091 1 4 M. Inoue . . . 10091 1 5 T. Kigawa . . . 10091 1 6 S. Yokoyama . . . 10091 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10091 _Assembly.ID 1 _Assembly.Name 'Tubulin-folding protein TBCE' _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 free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10091 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Tubulin-folding protein TBCE' 1 $entity_1 . . yes native no no . . . 10091 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WJN . . . . . . 10091 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10091 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin like-domain' _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 ; GSSGSSGQLLTLKIKCSNQP ERQILEKQLPDSMTVQKVKG LLSRLLKVPVSELLLSYESS KMPGREIELENDLQPLQFYS VENGDCLLVRWSGPSSG ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 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 PDB 1WJN . "Solution Structure Of The C-Terminal Ubiquitin-Like Domain Of Mouse Tubulin-Specific Chaperone E" . . . . . 100.00 97 100.00 100.00 1.14e-59 . . . . 10091 1 2 no DBJ BAE39475 . "unnamed protein product [Mus musculus]" . . . . . 86.60 524 100.00 100.00 7.41e-47 . . . . 10091 1 3 no GB AAH50206 . "Tubulin-specific chaperone E [Mus musculus]" . . . . . 86.60 524 100.00 100.00 7.41e-47 . . . . 10091 1 4 no GB AAL92570 . "tubulin-folding protein TBCE [Mus musculus]" . . . . . 86.60 524 100.00 100.00 7.41e-47 . . . . 10091 1 5 no GB EDL32750 . "tubulin-specific chaperone e, isoform CRA_a [Mus musculus]" . . . . . 86.60 524 100.00 100.00 7.41e-47 . . . . 10091 1 6 no GB EDL32752 . "tubulin-specific chaperone e, isoform CRA_c [Mus musculus]" . . . . . 86.60 396 100.00 100.00 1.05e-47 . . . . 10091 1 7 no GB EDL32753 . "tubulin-specific chaperone e, isoform CRA_d [Mus musculus]" . . . . . 86.60 88 100.00 100.00 1.08e-50 . . . . 10091 1 8 no REF NP_848027 . "tubulin-specific chaperone E [Mus musculus]" . . . . . 86.60 524 100.00 100.00 7.41e-47 . . . . 10091 1 9 no REF XP_006516836 . "PREDICTED: tubulin-specific chaperone E isoform X1 [Mus musculus]" . . . . . 86.60 462 100.00 100.00 3.14e-47 . . . . 10091 1 10 no REF XP_006516838 . "PREDICTED: tubulin-specific chaperone E isoform X4 [Mus musculus]" . . . . . 86.60 270 100.00 100.00 5.55e-49 . . . . 10091 1 11 no SP Q8CIV8 . "RecName: Full=Tubulin-specific chaperone E; AltName: Full=Tubulin-folding cofactor E" . . . . . 86.60 524 100.00 100.00 7.41e-47 . . . . 10091 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin like-domain' . 10091 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10091 1 2 . SER . 10091 1 3 . SER . 10091 1 4 . GLY . 10091 1 5 . SER . 10091 1 6 . SER . 10091 1 7 . GLY . 10091 1 8 . GLN . 10091 1 9 . LEU . 10091 1 10 . LEU . 10091 1 11 . THR . 10091 1 12 . LEU . 10091 1 13 . LYS . 10091 1 14 . ILE . 10091 1 15 . LYS . 10091 1 16 . CYS . 10091 1 17 . SER . 10091 1 18 . ASN . 10091 1 19 . GLN . 10091 1 20 . PRO . 10091 1 21 . GLU . 10091 1 22 . ARG . 10091 1 23 . GLN . 10091 1 24 . ILE . 10091 1 25 . LEU . 10091 1 26 . GLU . 10091 1 27 . LYS . 10091 1 28 . GLN . 10091 1 29 . LEU . 10091 1 30 . PRO . 10091 1 31 . ASP . 10091 1 32 . SER . 10091 1 33 . MET . 10091 1 34 . THR . 10091 1 35 . VAL . 10091 1 36 . GLN . 10091 1 37 . LYS . 10091 1 38 . VAL . 10091 1 39 . LYS . 10091 1 40 . GLY . 10091 1 41 . LEU . 10091 1 42 . LEU . 10091 1 43 . SER . 10091 1 44 . ARG . 10091 1 45 . LEU . 10091 1 46 . LEU . 10091 1 47 . LYS . 10091 1 48 . VAL . 10091 1 49 . PRO . 10091 1 50 . VAL . 10091 1 51 . SER . 10091 1 52 . GLU . 10091 1 53 . LEU . 10091 1 54 . LEU . 10091 1 55 . LEU . 10091 1 56 . SER . 10091 1 57 . TYR . 10091 1 58 . GLU . 10091 1 59 . SER . 10091 1 60 . SER . 10091 1 61 . LYS . 10091 1 62 . MET . 10091 1 63 . PRO . 10091 1 64 . GLY . 10091 1 65 . ARG . 10091 1 66 . GLU . 10091 1 67 . ILE . 10091 1 68 . GLU . 10091 1 69 . LEU . 10091 1 70 . GLU . 10091 1 71 . ASN . 10091 1 72 . ASP . 10091 1 73 . LEU . 10091 1 74 . GLN . 10091 1 75 . PRO . 10091 1 76 . LEU . 10091 1 77 . GLN . 10091 1 78 . PHE . 10091 1 79 . TYR . 10091 1 80 . SER . 10091 1 81 . VAL . 10091 1 82 . GLU . 10091 1 83 . ASN . 10091 1 84 . GLY . 10091 1 85 . ASP . 10091 1 86 . CYS . 10091 1 87 . LEU . 10091 1 88 . LEU . 10091 1 89 . VAL . 10091 1 90 . ARG . 10091 1 91 . TRP . 10091 1 92 . SER . 10091 1 93 . GLY . 10091 1 94 . PRO . 10091 1 95 . SER . 10091 1 96 . SER . 10091 1 97 . GLY . 10091 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 10091 1 . SER 2 2 10091 1 . SER 3 3 10091 1 . GLY 4 4 10091 1 . SER 5 5 10091 1 . SER 6 6 10091 1 . GLY 7 7 10091 1 . GLN 8 8 10091 1 . LEU 9 9 10091 1 . LEU 10 10 10091 1 . THR 11 11 10091 1 . LEU 12 12 10091 1 . LYS 13 13 10091 1 . ILE 14 14 10091 1 . LYS 15 15 10091 1 . CYS 16 16 10091 1 . SER 17 17 10091 1 . ASN 18 18 10091 1 . GLN 19 19 10091 1 . PRO 20 20 10091 1 . GLU 21 21 10091 1 . ARG 22 22 10091 1 . GLN 23 23 10091 1 . ILE 24 24 10091 1 . LEU 25 25 10091 1 . GLU 26 26 10091 1 . LYS 27 27 10091 1 . GLN 28 28 10091 1 . LEU 29 29 10091 1 . PRO 30 30 10091 1 . ASP 31 31 10091 1 . SER 32 32 10091 1 . MET 33 33 10091 1 . THR 34 34 10091 1 . VAL 35 35 10091 1 . GLN 36 36 10091 1 . LYS 37 37 10091 1 . VAL 38 38 10091 1 . LYS 39 39 10091 1 . GLY 40 40 10091 1 . LEU 41 41 10091 1 . LEU 42 42 10091 1 . SER 43 43 10091 1 . ARG 44 44 10091 1 . LEU 45 45 10091 1 . LEU 46 46 10091 1 . LYS 47 47 10091 1 . VAL 48 48 10091 1 . PRO 49 49 10091 1 . VAL 50 50 10091 1 . SER 51 51 10091 1 . GLU 52 52 10091 1 . LEU 53 53 10091 1 . LEU 54 54 10091 1 . LEU 55 55 10091 1 . SER 56 56 10091 1 . TYR 57 57 10091 1 . GLU 58 58 10091 1 . SER 59 59 10091 1 . SER 60 60 10091 1 . LYS 61 61 10091 1 . MET 62 62 10091 1 . PRO 63 63 10091 1 . GLY 64 64 10091 1 . ARG 65 65 10091 1 . GLU 66 66 10091 1 . ILE 67 67 10091 1 . GLU 68 68 10091 1 . LEU 69 69 10091 1 . GLU 70 70 10091 1 . ASN 71 71 10091 1 . ASP 72 72 10091 1 . LEU 73 73 10091 1 . GLN 74 74 10091 1 . PRO 75 75 10091 1 . LEU 76 76 10091 1 . GLN 77 77 10091 1 . PHE 78 78 10091 1 . TYR 79 79 10091 1 . SER 80 80 10091 1 . VAL 81 81 10091 1 . GLU 82 82 10091 1 . ASN 83 83 10091 1 . GLY 84 84 10091 1 . ASP 85 85 10091 1 . CYS 86 86 10091 1 . LEU 87 87 10091 1 . LEU 88 88 10091 1 . VAL 89 89 10091 1 . ARG 90 90 10091 1 . TRP 91 91 10091 1 . SER 92 92 10091 1 . GLY 93 93 10091 1 . PRO 94 94 10091 1 . SER 95 95 10091 1 . SER 96 96 10091 1 . GLY 97 97 10091 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 10091 _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 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10091 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 10091 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040301-91 . . . . . . 10091 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10091 _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 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.1 . . mM . . . . 10091 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10091 1 3 NaCl . . . . . . salt 200 . . mM . . . . 10091 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10091 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10091 1 6 H2O . . . . . . solvent 90 . . % . . . . 10091 1 7 D2O . . . . . . solvent 10 . . % . . . . 10091 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10091 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 220 0.1 mM 10091 1 pH 7.0 0.05 pH 10091 1 pressure 1 0.001 atm 10091 1 temperature 296 0.1 K 10091 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10091 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10091 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10091 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10091 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10091 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10091 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10091 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10091 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10091 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10091 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8994 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10091 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10091 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10091 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10091 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10091 5 'structure solution' 10091 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10091 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 10091 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10091 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10091 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10091 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10091 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10091 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10091 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10091 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10091 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10091 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10091 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10091 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 6 6 SER HA H 1 4.545 0.030 . 1 . . . . 6 SER HA . 10091 1 2 . 1 1 6 6 SER HB2 H 1 3.916 0.030 . 1 . . . . 6 SER HB2 . 10091 1 3 . 1 1 6 6 SER HB3 H 1 3.916 0.030 . 1 . . . . 6 SER HB3 . 10091 1 4 . 1 1 6 6 SER C C 13 174.854 0.300 . 1 . . . . 6 SER C . 10091 1 5 . 1 1 6 6 SER CA C 13 58.653 0.300 . 1 . . . . 6 SER CA . 10091 1 6 . 1 1 6 6 SER CB C 13 64.049 0.300 . 1 . . . . 6 SER CB . 10091 1 7 . 1 1 7 7 GLY H H 1 8.509 0.030 . 1 . . . . 7 GLY H . 10091 1 8 . 1 1 7 7 GLY HA2 H 1 4.102 0.030 . 2 . . . . 7 GLY HA2 . 10091 1 9 . 1 1 7 7 GLY HA3 H 1 4.038 0.030 . 2 . . . . 7 GLY HA3 . 10091 1 10 . 1 1 7 7 GLY C C 13 173.457 0.300 . 1 . . . . 7 GLY C . 10091 1 11 . 1 1 7 7 GLY CA C 13 45.318 0.300 . 1 . . . . 7 GLY CA . 10091 1 12 . 1 1 7 7 GLY N N 15 111.204 0.300 . 1 . . . . 7 GLY N . 10091 1 13 . 1 1 8 8 GLN H H 1 8.320 0.030 . 1 . . . . 8 GLN H . 10091 1 14 . 1 1 8 8 GLN HA H 1 4.436 0.030 . 1 . . . . 8 GLN HA . 10091 1 15 . 1 1 8 8 GLN HB2 H 1 1.992 0.030 . 2 . . . . 8 GLN HB2 . 10091 1 16 . 1 1 8 8 GLN HB3 H 1 1.908 0.030 . 2 . . . . 8 GLN HB3 . 10091 1 17 . 1 1 8 8 GLN HG2 H 1 2.271 0.030 . 1 . . . . 8 GLN HG2 . 10091 1 18 . 1 1 8 8 GLN HG3 H 1 2.271 0.030 . 1 . . . . 8 GLN HG3 . 10091 1 19 . 1 1 8 8 GLN HE21 H 1 7.646 0.030 . 2 . . . . 8 GLN HE21 . 10091 1 20 . 1 1 8 8 GLN HE22 H 1 6.932 0.030 . 2 . . . . 8 GLN HE22 . 10091 1 21 . 1 1 8 8 GLN C C 13 174.708 0.300 . 1 . . . . 8 GLN C . 10091 1 22 . 1 1 8 8 GLN CA C 13 54.806 0.300 . 1 . . . . 8 GLN CA . 10091 1 23 . 1 1 8 8 GLN CB C 13 30.963 0.300 . 1 . . . . 8 GLN CB . 10091 1 24 . 1 1 8 8 GLN CG C 13 33.812 0.300 . 1 . . . . 8 GLN CG . 10091 1 25 . 1 1 8 8 GLN N N 15 120.211 0.300 . 1 . . . . 8 GLN N . 10091 1 26 . 1 1 8 8 GLN NE2 N 15 112.956 0.300 . 1 . . . . 8 GLN NE2 . 10091 1 27 . 1 1 9 9 LEU H H 1 8.477 0.030 . 1 . . . . 9 LEU H . 10091 1 28 . 1 1 9 9 LEU HA H 1 4.317 0.030 . 1 . . . . 9 LEU HA . 10091 1 29 . 1 1 9 9 LEU HB2 H 1 1.556 0.030 . 2 . . . . 9 LEU HB2 . 10091 1 30 . 1 1 9 9 LEU HB3 H 1 1.284 0.030 . 2 . . . . 9 LEU HB3 . 10091 1 31 . 1 1 9 9 LEU HG H 1 1.437 0.030 . 1 . . . . 9 LEU HG . 10091 1 32 . 1 1 9 9 LEU HD11 H 1 0.733 0.030 . 1 . . . . 9 LEU HD1 . 10091 1 33 . 1 1 9 9 LEU HD12 H 1 0.733 0.030 . 1 . . . . 9 LEU HD1 . 10091 1 34 . 1 1 9 9 LEU HD13 H 1 0.733 0.030 . 1 . . . . 9 LEU HD1 . 10091 1 35 . 1 1 9 9 LEU HD21 H 1 0.694 0.030 . 1 . . . . 9 LEU HD2 . 10091 1 36 . 1 1 9 9 LEU HD22 H 1 0.694 0.030 . 1 . . . . 9 LEU HD2 . 10091 1 37 . 1 1 9 9 LEU HD23 H 1 0.694 0.030 . 1 . . . . 9 LEU HD2 . 10091 1 38 . 1 1 9 9 LEU C C 13 176.213 0.300 . 1 . . . . 9 LEU C . 10091 1 39 . 1 1 9 9 LEU CA C 13 54.584 0.300 . 1 . . . . 9 LEU CA . 10091 1 40 . 1 1 9 9 LEU CB C 13 42.538 0.300 . 1 . . . . 9 LEU CB . 10091 1 41 . 1 1 9 9 LEU CG C 13 26.729 0.300 . 1 . . . . 9 LEU CG . 10091 1 42 . 1 1 9 9 LEU CD1 C 13 24.163 0.300 . 2 . . . . 9 LEU CD1 . 10091 1 43 . 1 1 9 9 LEU CD2 C 13 23.843 0.300 . 2 . . . . 9 LEU CD2 . 10091 1 44 . 1 1 9 9 LEU N N 15 123.557 0.300 . 1 . . . . 9 LEU N . 10091 1 45 . 1 1 10 10 LEU H H 1 8.948 0.030 . 1 . . . . 10 LEU H . 10091 1 46 . 1 1 10 10 LEU HA H 1 4.692 0.030 . 1 . . . . 10 LEU HA . 10091 1 47 . 1 1 10 10 LEU HB2 H 1 1.979 0.030 . 2 . . . . 10 LEU HB2 . 10091 1 48 . 1 1 10 10 LEU HB3 H 1 0.976 0.030 . 2 . . . . 10 LEU HB3 . 10091 1 49 . 1 1 10 10 LEU HG H 1 1.683 0.030 . 1 . . . . 10 LEU HG . 10091 1 50 . 1 1 10 10 LEU HD11 H 1 0.645 0.030 . 1 . . . . 10 LEU HD1 . 10091 1 51 . 1 1 10 10 LEU HD12 H 1 0.645 0.030 . 1 . . . . 10 LEU HD1 . 10091 1 52 . 1 1 10 10 LEU HD13 H 1 0.645 0.030 . 1 . . . . 10 LEU HD1 . 10091 1 53 . 1 1 10 10 LEU HD21 H 1 0.718 0.030 . 1 . . . . 10 LEU HD2 . 10091 1 54 . 1 1 10 10 LEU HD22 H 1 0.718 0.030 . 1 . . . . 10 LEU HD2 . 10091 1 55 . 1 1 10 10 LEU HD23 H 1 0.718 0.030 . 1 . . . . 10 LEU HD2 . 10091 1 56 . 1 1 10 10 LEU C C 13 176.432 0.300 . 1 . . . . 10 LEU C . 10091 1 57 . 1 1 10 10 LEU CA C 13 53.321 0.300 . 1 . . . . 10 LEU CA . 10091 1 58 . 1 1 10 10 LEU CB C 13 43.721 0.300 . 1 . . . . 10 LEU CB . 10091 1 59 . 1 1 10 10 LEU CG C 13 26.462 0.300 . 1 . . . . 10 LEU CG . 10091 1 60 . 1 1 10 10 LEU CD1 C 13 26.203 0.300 . 2 . . . . 10 LEU CD1 . 10091 1 61 . 1 1 10 10 LEU CD2 C 13 22.607 0.300 . 2 . . . . 10 LEU CD2 . 10091 1 62 . 1 1 10 10 LEU N N 15 126.642 0.300 . 1 . . . . 10 LEU N . 10091 1 63 . 1 1 11 11 THR H H 1 9.065 0.030 . 1 . . . . 11 THR H . 10091 1 64 . 1 1 11 11 THR HA H 1 4.573 0.030 . 1 . . . . 11 THR HA . 10091 1 65 . 1 1 11 11 THR HB H 1 4.146 0.030 . 1 . . . . 11 THR HB . 10091 1 66 . 1 1 11 11 THR HG21 H 1 1.050 0.030 . 1 . . . . 11 THR HG2 . 10091 1 67 . 1 1 11 11 THR HG22 H 1 1.050 0.030 . 1 . . . . 11 THR HG2 . 10091 1 68 . 1 1 11 11 THR HG23 H 1 1.050 0.030 . 1 . . . . 11 THR HG2 . 10091 1 69 . 1 1 11 11 THR C C 13 173.873 0.300 . 1 . . . . 11 THR C . 10091 1 70 . 1 1 11 11 THR CA C 13 63.319 0.300 . 1 . . . . 11 THR CA . 10091 1 71 . 1 1 11 11 THR CB C 13 68.313 0.300 . 1 . . . . 11 THR CB . 10091 1 72 . 1 1 11 11 THR CG2 C 13 21.618 0.300 . 1 . . . . 11 THR CG2 . 10091 1 73 . 1 1 11 11 THR N N 15 120.252 0.300 . 1 . . . . 11 THR N . 10091 1 74 . 1 1 12 12 LEU H H 1 8.882 0.030 . 1 . . . . 12 LEU H . 10091 1 75 . 1 1 12 12 LEU HA H 1 5.079 0.030 . 1 . . . . 12 LEU HA . 10091 1 76 . 1 1 12 12 LEU HB2 H 1 1.496 0.030 . 2 . . . . 12 LEU HB2 . 10091 1 77 . 1 1 12 12 LEU HB3 H 1 1.366 0.030 . 2 . . . . 12 LEU HB3 . 10091 1 78 . 1 1 12 12 LEU HG H 1 1.462 0.030 . 1 . . . . 12 LEU HG . 10091 1 79 . 1 1 12 12 LEU HD11 H 1 0.711 0.030 . 1 . . . . 12 LEU HD1 . 10091 1 80 . 1 1 12 12 LEU HD12 H 1 0.711 0.030 . 1 . . . . 12 LEU HD1 . 10091 1 81 . 1 1 12 12 LEU HD13 H 1 0.711 0.030 . 1 . . . . 12 LEU HD1 . 10091 1 82 . 1 1 12 12 LEU HD21 H 1 0.773 0.030 . 1 . . . . 12 LEU HD2 . 10091 1 83 . 1 1 12 12 LEU HD22 H 1 0.773 0.030 . 1 . . . . 12 LEU HD2 . 10091 1 84 . 1 1 12 12 LEU HD23 H 1 0.773 0.030 . 1 . . . . 12 LEU HD2 . 10091 1 85 . 1 1 12 12 LEU C C 13 176.079 0.300 . 1 . . . . 12 LEU C . 10091 1 86 . 1 1 12 12 LEU CA C 13 52.807 0.300 . 1 . . . . 12 LEU CA . 10091 1 87 . 1 1 12 12 LEU CB C 13 44.770 0.300 . 1 . . . . 12 LEU CB . 10091 1 88 . 1 1 12 12 LEU CG C 13 26.547 0.300 . 1 . . . . 12 LEU CG . 10091 1 89 . 1 1 12 12 LEU CD1 C 13 26.150 0.300 . 2 . . . . 12 LEU CD1 . 10091 1 90 . 1 1 12 12 LEU CD2 C 13 24.584 0.300 . 2 . . . . 12 LEU CD2 . 10091 1 91 . 1 1 12 12 LEU N N 15 128.711 0.300 . 1 . . . . 12 LEU N . 10091 1 92 . 1 1 13 13 LYS H H 1 8.136 0.030 . 1 . . . . 13 LYS H . 10091 1 93 . 1 1 13 13 LYS HA H 1 4.998 0.030 . 1 . . . . 13 LYS HA . 10091 1 94 . 1 1 13 13 LYS HB2 H 1 1.751 0.030 . 1 . . . . 13 LYS HB2 . 10091 1 95 . 1 1 13 13 LYS HB3 H 1 1.751 0.030 . 1 . . . . 13 LYS HB3 . 10091 1 96 . 1 1 13 13 LYS HG2 H 1 1.549 0.030 . 2 . . . . 13 LYS HG2 . 10091 1 97 . 1 1 13 13 LYS HG3 H 1 1.439 0.030 . 2 . . . . 13 LYS HG3 . 10091 1 98 . 1 1 13 13 LYS HD2 H 1 1.640 0.030 . 2 . . . . 13 LYS HD2 . 10091 1 99 . 1 1 13 13 LYS HD3 H 1 1.620 0.030 . 2 . . . . 13 LYS HD3 . 10091 1 100 . 1 1 13 13 LYS HE2 H 1 2.958 0.030 . 1 . . . . 13 LYS HE2 . 10091 1 101 . 1 1 13 13 LYS HE3 H 1 2.958 0.030 . 1 . . . . 13 LYS HE3 . 10091 1 102 . 1 1 13 13 LYS C C 13 175.812 0.300 . 1 . . . . 13 LYS C . 10091 1 103 . 1 1 13 13 LYS CA C 13 55.060 0.300 . 1 . . . . 13 LYS CA . 10091 1 104 . 1 1 13 13 LYS CB C 13 34.508 0.300 . 1 . . . . 13 LYS CB . 10091 1 105 . 1 1 13 13 LYS CG C 13 25.841 0.300 . 1 . . . . 13 LYS CG . 10091 1 106 . 1 1 13 13 LYS CD C 13 29.231 0.300 . 1 . . . . 13 LYS CD . 10091 1 107 . 1 1 13 13 LYS CE C 13 42.332 0.300 . 1 . . . . 13 LYS CE . 10091 1 108 . 1 1 13 13 LYS N N 15 120.057 0.300 . 1 . . . . 13 LYS N . 10091 1 109 . 1 1 14 14 ILE H H 1 8.973 0.030 . 1 . . . . 14 ILE H . 10091 1 110 . 1 1 14 14 ILE HA H 1 4.859 0.030 . 1 . . . . 14 ILE HA . 10091 1 111 . 1 1 14 14 ILE HB H 1 1.767 0.030 . 1 . . . . 14 ILE HB . 10091 1 112 . 1 1 14 14 ILE HG12 H 1 1.438 0.030 . 2 . . . . 14 ILE HG12 . 10091 1 113 . 1 1 14 14 ILE HG13 H 1 1.034 0.030 . 2 . . . . 14 ILE HG13 . 10091 1 114 . 1 1 14 14 ILE HG21 H 1 0.742 0.030 . 1 . . . . 14 ILE HG2 . 10091 1 115 . 1 1 14 14 ILE HG22 H 1 0.742 0.030 . 1 . . . . 14 ILE HG2 . 10091 1 116 . 1 1 14 14 ILE HG23 H 1 0.742 0.030 . 1 . . . . 14 ILE HG2 . 10091 1 117 . 1 1 14 14 ILE HD11 H 1 0.656 0.030 . 1 . . . . 14 ILE HD1 . 10091 1 118 . 1 1 14 14 ILE HD12 H 1 0.656 0.030 . 1 . . . . 14 ILE HD1 . 10091 1 119 . 1 1 14 14 ILE HD13 H 1 0.656 0.030 . 1 . . . . 14 ILE HD1 . 10091 1 120 . 1 1 14 14 ILE C C 13 174.474 0.300 . 1 . . . . 14 ILE C . 10091 1 121 . 1 1 14 14 ILE CA C 13 60.614 0.300 . 1 . . . . 14 ILE CA . 10091 1 122 . 1 1 14 14 ILE CB C 13 39.873 0.300 . 1 . . . . 14 ILE CB . 10091 1 123 . 1 1 14 14 ILE CG1 C 13 27.631 0.300 . 1 . . . . 14 ILE CG1 . 10091 1 124 . 1 1 14 14 ILE CG2 C 13 18.038 0.300 . 1 . . . . 14 ILE CG2 . 10091 1 125 . 1 1 14 14 ILE CD1 C 13 13.540 0.300 . 1 . . . . 14 ILE CD1 . 10091 1 126 . 1 1 14 14 ILE N N 15 121.509 0.300 . 1 . . . . 14 ILE N . 10091 1 127 . 1 1 15 15 LYS H H 1 9.093 0.030 . 1 . . . . 15 LYS H . 10091 1 128 . 1 1 15 15 LYS HA H 1 4.780 0.030 . 1 . . . . 15 LYS HA . 10091 1 129 . 1 1 15 15 LYS HB2 H 1 1.751 0.030 . 2 . . . . 15 LYS HB2 . 10091 1 130 . 1 1 15 15 LYS HB3 H 1 1.415 0.030 . 2 . . . . 15 LYS HB3 . 10091 1 131 . 1 1 15 15 LYS HG2 H 1 1.299 0.030 . 2 . . . . 15 LYS HG2 . 10091 1 132 . 1 1 15 15 LYS HG3 H 1 1.044 0.030 . 2 . . . . 15 LYS HG3 . 10091 1 133 . 1 1 15 15 LYS HD2 H 1 1.560 0.030 . 1 . . . . 15 LYS HD2 . 10091 1 134 . 1 1 15 15 LYS HD3 H 1 1.560 0.030 . 1 . . . . 15 LYS HD3 . 10091 1 135 . 1 1 15 15 LYS HE2 H 1 2.855 0.030 . 1 . . . . 15 LYS HE2 . 10091 1 136 . 1 1 15 15 LYS HE3 H 1 2.855 0.030 . 1 . . . . 15 LYS HE3 . 10091 1 137 . 1 1 15 15 LYS C C 13 174.671 0.300 . 1 . . . . 15 LYS C . 10091 1 138 . 1 1 15 15 LYS CA C 13 54.593 0.300 . 1 . . . . 15 LYS CA . 10091 1 139 . 1 1 15 15 LYS CB C 13 36.985 0.300 . 1 . . . . 15 LYS CB . 10091 1 140 . 1 1 15 15 LYS CG C 13 25.193 0.300 . 1 . . . . 15 LYS CG . 10091 1 141 . 1 1 15 15 LYS CD C 13 29.774 0.300 . 1 . . . . 15 LYS CD . 10091 1 142 . 1 1 15 15 LYS CE C 13 42.216 0.300 . 1 . . . . 15 LYS CE . 10091 1 143 . 1 1 15 15 LYS N N 15 128.784 0.300 . 1 . . . . 15 LYS N . 10091 1 144 . 1 1 16 16 CYS H H 1 9.064 0.030 . 1 . . . . 16 CYS H . 10091 1 145 . 1 1 16 16 CYS HA H 1 5.083 0.030 . 1 . . . . 16 CYS HA . 10091 1 146 . 1 1 16 16 CYS HB2 H 1 3.044 0.030 . 2 . . . . 16 CYS HB2 . 10091 1 147 . 1 1 16 16 CYS HB3 H 1 2.856 0.030 . 2 . . . . 16 CYS HB3 . 10091 1 148 . 1 1 16 16 CYS C C 13 176.103 0.300 . 1 . . . . 16 CYS C . 10091 1 149 . 1 1 16 16 CYS CA C 13 57.551 0.300 . 1 . . . . 16 CYS CA . 10091 1 150 . 1 1 16 16 CYS CB C 13 26.993 0.300 . 1 . . . . 16 CYS CB . 10091 1 151 . 1 1 16 16 CYS N N 15 124.845 0.300 . 1 . . . . 16 CYS N . 10091 1 152 . 1 1 17 17 SER H H 1 8.036 0.030 . 1 . . . . 17 SER H . 10091 1 153 . 1 1 17 17 SER HA H 1 3.900 0.030 . 1 . . . . 17 SER HA . 10091 1 154 . 1 1 17 17 SER HB2 H 1 3.726 0.030 . 2 . . . . 17 SER HB2 . 10091 1 155 . 1 1 17 17 SER HB3 H 1 3.498 0.030 . 2 . . . . 17 SER HB3 . 10091 1 156 . 1 1 17 17 SER C C 13 174.606 0.300 . 1 . . . . 17 SER C . 10091 1 157 . 1 1 17 17 SER CA C 13 61.766 0.300 . 1 . . . . 17 SER CA . 10091 1 158 . 1 1 17 17 SER CB C 13 63.432 0.300 . 1 . . . . 17 SER CB . 10091 1 159 . 1 1 17 17 SER N N 15 121.762 0.300 . 1 . . . . 17 SER N . 10091 1 160 . 1 1 18 18 ASN H H 1 8.685 0.030 . 1 . . . . 18 ASN H . 10091 1 161 . 1 1 18 18 ASN HA H 1 4.639 0.030 . 1 . . . . 18 ASN HA . 10091 1 162 . 1 1 18 18 ASN HB2 H 1 2.780 0.030 . 2 . . . . 18 ASN HB2 . 10091 1 163 . 1 1 18 18 ASN HB3 H 1 2.368 0.030 . 2 . . . . 18 ASN HB3 . 10091 1 164 . 1 1 18 18 ASN HD21 H 1 7.278 0.030 . 2 . . . . 18 ASN HD21 . 10091 1 165 . 1 1 18 18 ASN HD22 H 1 6.593 0.030 . 2 . . . . 18 ASN HD22 . 10091 1 166 . 1 1 18 18 ASN C C 13 174.401 0.300 . 1 . . . . 18 ASN C . 10091 1 167 . 1 1 18 18 ASN CA C 13 53.398 0.300 . 1 . . . . 18 ASN CA . 10091 1 168 . 1 1 18 18 ASN CB C 13 38.269 0.300 . 1 . . . . 18 ASN CB . 10091 1 169 . 1 1 18 18 ASN N N 15 116.274 0.300 . 1 . . . . 18 ASN N . 10091 1 170 . 1 1 18 18 ASN ND2 N 15 111.188 0.300 . 1 . . . . 18 ASN ND2 . 10091 1 171 . 1 1 19 19 GLN H H 1 7.287 0.030 . 1 . . . . 19 GLN H . 10091 1 172 . 1 1 19 19 GLN HA H 1 4.893 0.030 . 1 . . . . 19 GLN HA . 10091 1 173 . 1 1 19 19 GLN HB2 H 1 2.074 0.030 . 2 . . . . 19 GLN HB2 . 10091 1 174 . 1 1 19 19 GLN HB3 H 1 1.849 0.030 . 2 . . . . 19 GLN HB3 . 10091 1 175 . 1 1 19 19 GLN HG2 H 1 2.247 0.030 . 2 . . . . 19 GLN HG2 . 10091 1 176 . 1 1 19 19 GLN HG3 H 1 2.135 0.030 . 2 . . . . 19 GLN HG3 . 10091 1 177 . 1 1 19 19 GLN HE21 H 1 7.438 0.030 . 2 . . . . 19 GLN HE21 . 10091 1 178 . 1 1 19 19 GLN HE22 H 1 6.689 0.030 . 2 . . . . 19 GLN HE22 . 10091 1 179 . 1 1 19 19 GLN C C 13 173.567 0.300 . 1 . . . . 19 GLN C . 10091 1 180 . 1 1 19 19 GLN CA C 13 53.344 0.300 . 1 . . . . 19 GLN CA . 10091 1 181 . 1 1 19 19 GLN CB C 13 29.576 0.300 . 1 . . . . 19 GLN CB . 10091 1 182 . 1 1 19 19 GLN CG C 13 33.357 0.300 . 1 . . . . 19 GLN CG . 10091 1 183 . 1 1 19 19 GLN N N 15 117.366 0.300 . 1 . . . . 19 GLN N . 10091 1 184 . 1 1 19 19 GLN NE2 N 15 111.283 0.300 . 1 . . . . 19 GLN NE2 . 10091 1 185 . 1 1 20 20 PRO HA H 1 4.384 0.030 . 1 . . . . 20 PRO HA . 10091 1 186 . 1 1 20 20 PRO HB2 H 1 2.305 0.030 . 2 . . . . 20 PRO HB2 . 10091 1 187 . 1 1 20 20 PRO HB3 H 1 1.991 0.030 . 2 . . . . 20 PRO HB3 . 10091 1 188 . 1 1 20 20 PRO HG2 H 1 1.997 0.030 . 1 . . . . 20 PRO HG2 . 10091 1 189 . 1 1 20 20 PRO HG3 H 1 1.997 0.030 . 1 . . . . 20 PRO HG3 . 10091 1 190 . 1 1 20 20 PRO HD2 H 1 3.749 0.030 . 2 . . . . 20 PRO HD2 . 10091 1 191 . 1 1 20 20 PRO HD3 H 1 3.392 0.030 . 2 . . . . 20 PRO HD3 . 10091 1 192 . 1 1 20 20 PRO C C 13 177.208 0.300 . 1 . . . . 20 PRO C . 10091 1 193 . 1 1 20 20 PRO CA C 13 64.575 0.300 . 1 . . . . 20 PRO CA . 10091 1 194 . 1 1 20 20 PRO CB C 13 32.000 0.300 . 1 . . . . 20 PRO CB . 10091 1 195 . 1 1 20 20 PRO CG C 13 27.303 0.300 . 1 . . . . 20 PRO CG . 10091 1 196 . 1 1 20 20 PRO CD C 13 50.503 0.300 . 1 . . . . 20 PRO CD . 10091 1 197 . 1 1 21 21 GLU H H 1 9.234 0.030 . 1 . . . . 21 GLU H . 10091 1 198 . 1 1 21 21 GLU HA H 1 4.277 0.030 . 1 . . . . 21 GLU HA . 10091 1 199 . 1 1 21 21 GLU HB2 H 1 2.111 0.030 . 2 . . . . 21 GLU HB2 . 10091 1 200 . 1 1 21 21 GLU HB3 H 1 1.997 0.030 . 2 . . . . 21 GLU HB3 . 10091 1 201 . 1 1 21 21 GLU HG2 H 1 2.340 0.030 . 2 . . . . 21 GLU HG2 . 10091 1 202 . 1 1 21 21 GLU HG3 H 1 2.193 0.030 . 2 . . . . 21 GLU HG3 . 10091 1 203 . 1 1 21 21 GLU C C 13 176.989 0.300 . 1 . . . . 21 GLU C . 10091 1 204 . 1 1 21 21 GLU CA C 13 57.022 0.300 . 1 . . . . 21 GLU CA . 10091 1 205 . 1 1 21 21 GLU CB C 13 28.704 0.300 . 1 . . . . 21 GLU CB . 10091 1 206 . 1 1 21 21 GLU CG C 13 36.201 0.300 . 1 . . . . 21 GLU CG . 10091 1 207 . 1 1 21 21 GLU N N 15 117.866 0.300 . 1 . . . . 21 GLU N . 10091 1 208 . 1 1 22 22 ARG H H 1 7.874 0.030 . 1 . . . . 22 ARG H . 10091 1 209 . 1 1 22 22 ARG HA H 1 4.335 0.030 . 1 . . . . 22 ARG HA . 10091 1 210 . 1 1 22 22 ARG HB2 H 1 2.012 0.030 . 2 . . . . 22 ARG HB2 . 10091 1 211 . 1 1 22 22 ARG HB3 H 1 1.940 0.030 . 2 . . . . 22 ARG HB3 . 10091 1 212 . 1 1 22 22 ARG HG2 H 1 1.783 0.030 . 1 . . . . 22 ARG HG2 . 10091 1 213 . 1 1 22 22 ARG HG3 H 1 1.783 0.030 . 1 . . . . 22 ARG HG3 . 10091 1 214 . 1 1 22 22 ARG HD2 H 1 3.354 0.030 . 2 . . . . 22 ARG HD2 . 10091 1 215 . 1 1 22 22 ARG HD3 H 1 3.311 0.030 . 2 . . . . 22 ARG HD3 . 10091 1 216 . 1 1 22 22 ARG C C 13 176.164 0.300 . 1 . . . . 22 ARG C . 10091 1 217 . 1 1 22 22 ARG CA C 13 56.037 0.300 . 1 . . . . 22 ARG CA . 10091 1 218 . 1 1 22 22 ARG CB C 13 30.682 0.300 . 1 . . . . 22 ARG CB . 10091 1 219 . 1 1 22 22 ARG CG C 13 27.984 0.300 . 1 . . . . 22 ARG CG . 10091 1 220 . 1 1 22 22 ARG CD C 13 43.956 0.300 . 1 . . . . 22 ARG CD . 10091 1 221 . 1 1 22 22 ARG N N 15 121.991 0.300 . 1 . . . . 22 ARG N . 10091 1 222 . 1 1 23 23 GLN H H 1 8.577 0.030 . 1 . . . . 23 GLN H . 10091 1 223 . 1 1 23 23 GLN HA H 1 4.249 0.030 . 1 . . . . 23 GLN HA . 10091 1 224 . 1 1 23 23 GLN HB2 H 1 2.044 0.030 . 1 . . . . 23 GLN HB2 . 10091 1 225 . 1 1 23 23 GLN HB3 H 1 2.044 0.030 . 1 . . . . 23 GLN HB3 . 10091 1 226 . 1 1 23 23 GLN HG2 H 1 2.438 0.030 . 1 . . . . 23 GLN HG2 . 10091 1 227 . 1 1 23 23 GLN HG3 H 1 2.438 0.030 . 1 . . . . 23 GLN HG3 . 10091 1 228 . 1 1 23 23 GLN HE21 H 1 7.584 0.030 . 2 . . . . 23 GLN HE21 . 10091 1 229 . 1 1 23 23 GLN HE22 H 1 6.927 0.030 . 2 . . . . 23 GLN HE22 . 10091 1 230 . 1 1 23 23 GLN C C 13 176.164 0.300 . 1 . . . . 23 GLN C . 10091 1 231 . 1 1 23 23 GLN CA C 13 56.083 0.300 . 1 . . . . 23 GLN CA . 10091 1 232 . 1 1 23 23 GLN CB C 13 29.459 0.300 . 1 . . . . 23 GLN CB . 10091 1 233 . 1 1 23 23 GLN CG C 13 33.826 0.300 . 1 . . . . 23 GLN CG . 10091 1 234 . 1 1 23 23 GLN N N 15 124.171 0.300 . 1 . . . . 23 GLN N . 10091 1 235 . 1 1 23 23 GLN NE2 N 15 112.826 0.300 . 1 . . . . 23 GLN NE2 . 10091 1 236 . 1 1 24 24 ILE H H 1 8.623 0.030 . 1 . . . . 24 ILE H . 10091 1 237 . 1 1 24 24 ILE HA H 1 4.263 0.030 . 1 . . . . 24 ILE HA . 10091 1 238 . 1 1 24 24 ILE HB H 1 1.815 0.030 . 1 . . . . 24 ILE HB . 10091 1 239 . 1 1 24 24 ILE HG12 H 1 1.686 0.030 . 2 . . . . 24 ILE HG12 . 10091 1 240 . 1 1 24 24 ILE HG13 H 1 1.137 0.030 . 2 . . . . 24 ILE HG13 . 10091 1 241 . 1 1 24 24 ILE HG21 H 1 0.910 0.030 . 1 . . . . 24 ILE HG2 . 10091 1 242 . 1 1 24 24 ILE HG22 H 1 0.910 0.030 . 1 . . . . 24 ILE HG2 . 10091 1 243 . 1 1 24 24 ILE HG23 H 1 0.910 0.030 . 1 . . . . 24 ILE HG2 . 10091 1 244 . 1 1 24 24 ILE HD11 H 1 0.891 0.030 . 1 . . . . 24 ILE HD1 . 10091 1 245 . 1 1 24 24 ILE HD12 H 1 0.891 0.030 . 1 . . . . 24 ILE HD1 . 10091 1 246 . 1 1 24 24 ILE HD13 H 1 0.891 0.030 . 1 . . . . 24 ILE HD1 . 10091 1 247 . 1 1 24 24 ILE C C 13 176.071 0.300 . 1 . . . . 24 ILE C . 10091 1 248 . 1 1 24 24 ILE CA C 13 61.740 0.300 . 1 . . . . 24 ILE CA . 10091 1 249 . 1 1 24 24 ILE CB C 13 38.504 0.300 . 1 . . . . 24 ILE CB . 10091 1 250 . 1 1 24 24 ILE CG1 C 13 28.374 0.300 . 1 . . . . 24 ILE CG1 . 10091 1 251 . 1 1 24 24 ILE CG2 C 13 17.733 0.300 . 1 . . . . 24 ILE CG2 . 10091 1 252 . 1 1 24 24 ILE CD1 C 13 13.173 0.300 . 1 . . . . 24 ILE CD1 . 10091 1 253 . 1 1 24 24 ILE N N 15 125.483 0.300 . 1 . . . . 24 ILE N . 10091 1 254 . 1 1 25 25 LEU H H 1 8.231 0.030 . 1 . . . . 25 LEU H . 10091 1 255 . 1 1 25 25 LEU HA H 1 4.690 0.030 . 1 . . . . 25 LEU HA . 10091 1 256 . 1 1 25 25 LEU HB2 H 1 1.647 0.030 . 2 . . . . 25 LEU HB2 . 10091 1 257 . 1 1 25 25 LEU HB3 H 1 1.537 0.030 . 2 . . . . 25 LEU HB3 . 10091 1 258 . 1 1 25 25 LEU HG H 1 1.715 0.030 . 1 . . . . 25 LEU HG . 10091 1 259 . 1 1 25 25 LEU HD11 H 1 0.866 0.030 . 1 . . . . 25 LEU HD1 . 10091 1 260 . 1 1 25 25 LEU HD12 H 1 0.866 0.030 . 1 . . . . 25 LEU HD1 . 10091 1 261 . 1 1 25 25 LEU HD13 H 1 0.866 0.030 . 1 . . . . 25 LEU HD1 . 10091 1 262 . 1 1 25 25 LEU HD21 H 1 0.871 0.030 . 1 . . . . 25 LEU HD2 . 10091 1 263 . 1 1 25 25 LEU HD22 H 1 0.871 0.030 . 1 . . . . 25 LEU HD2 . 10091 1 264 . 1 1 25 25 LEU HD23 H 1 0.871 0.030 . 1 . . . . 25 LEU HD2 . 10091 1 265 . 1 1 25 25 LEU C C 13 175.436 0.300 . 1 . . . . 25 LEU C . 10091 1 266 . 1 1 25 25 LEU CA C 13 53.964 0.300 . 1 . . . . 25 LEU CA . 10091 1 267 . 1 1 25 25 LEU CB C 13 44.770 0.300 . 1 . . . . 25 LEU CB . 10091 1 268 . 1 1 25 25 LEU CG C 13 27.056 0.300 . 1 . . . . 25 LEU CG . 10091 1 269 . 1 1 25 25 LEU CD1 C 13 23.618 0.300 . 2 . . . . 25 LEU CD1 . 10091 1 270 . 1 1 25 25 LEU CD2 C 13 25.303 0.300 . 2 . . . . 25 LEU CD2 . 10091 1 271 . 1 1 25 25 LEU N N 15 128.088 0.300 . 1 . . . . 25 LEU N . 10091 1 272 . 1 1 26 26 GLU H H 1 8.426 0.030 . 1 . . . . 26 GLU H . 10091 1 273 . 1 1 26 26 GLU HA H 1 5.195 0.030 . 1 . . . . 26 GLU HA . 10091 1 274 . 1 1 26 26 GLU HB2 H 1 1.855 0.030 . 1 . . . . 26 GLU HB2 . 10091 1 275 . 1 1 26 26 GLU HB3 H 1 1.855 0.030 . 1 . . . . 26 GLU HB3 . 10091 1 276 . 1 1 26 26 GLU HG2 H 1 2.076 0.030 . 2 . . . . 26 GLU HG2 . 10091 1 277 . 1 1 26 26 GLU HG3 H 1 1.966 0.030 . 2 . . . . 26 GLU HG3 . 10091 1 278 . 1 1 26 26 GLU C C 13 175.922 0.300 . 1 . . . . 26 GLU C . 10091 1 279 . 1 1 26 26 GLU CA C 13 55.674 0.300 . 1 . . . . 26 GLU CA . 10091 1 280 . 1 1 26 26 GLU CB C 13 32.411 0.300 . 1 . . . . 26 GLU CB . 10091 1 281 . 1 1 26 26 GLU CG C 13 37.533 0.300 . 1 . . . . 26 GLU CG . 10091 1 282 . 1 1 26 26 GLU N N 15 121.017 0.300 . 1 . . . . 26 GLU N . 10091 1 283 . 1 1 27 27 LYS H H 1 8.752 0.030 . 1 . . . . 27 LYS H . 10091 1 284 . 1 1 27 27 LYS HA H 1 4.713 0.030 . 1 . . . . 27 LYS HA . 10091 1 285 . 1 1 27 27 LYS HB2 H 1 1.661 0.030 . 2 . . . . 27 LYS HB2 . 10091 1 286 . 1 1 27 27 LYS HB3 H 1 1.414 0.030 . 2 . . . . 27 LYS HB3 . 10091 1 287 . 1 1 27 27 LYS HG2 H 1 1.261 0.030 . 1 . . . . 27 LYS HG2 . 10091 1 288 . 1 1 27 27 LYS HG3 H 1 1.261 0.030 . 1 . . . . 27 LYS HG3 . 10091 1 289 . 1 1 27 27 LYS HD2 H 1 1.784 0.030 . 1 . . . . 27 LYS HD2 . 10091 1 290 . 1 1 27 27 LYS HD3 H 1 1.784 0.030 . 1 . . . . 27 LYS HD3 . 10091 1 291 . 1 1 27 27 LYS HE2 H 1 2.923 0.030 . 2 . . . . 27 LYS HE2 . 10091 1 292 . 1 1 27 27 LYS HE3 H 1 2.832 0.030 . 2 . . . . 27 LYS HE3 . 10091 1 293 . 1 1 27 27 LYS C C 13 174.052 0.300 . 1 . . . . 27 LYS C . 10091 1 294 . 1 1 27 27 LYS CA C 13 53.435 0.300 . 1 . . . . 27 LYS CA . 10091 1 295 . 1 1 27 27 LYS CB C 13 37.004 0.300 . 1 . . . . 27 LYS CB . 10091 1 296 . 1 1 27 27 LYS CG C 13 24.725 0.300 . 1 . . . . 27 LYS CG . 10091 1 297 . 1 1 27 27 LYS CD C 13 28.292 0.300 . 1 . . . . 27 LYS CD . 10091 1 298 . 1 1 27 27 LYS CE C 13 41.999 0.300 . 1 . . . . 27 LYS CE . 10091 1 299 . 1 1 27 27 LYS N N 15 123.155 0.300 . 1 . . . . 27 LYS N . 10091 1 300 . 1 1 28 28 GLN H H 1 8.349 0.030 . 1 . . . . 28 GLN H . 10091 1 301 . 1 1 28 28 GLN HA H 1 5.543 0.030 . 1 . . . . 28 GLN HA . 10091 1 302 . 1 1 28 28 GLN HB2 H 1 1.990 0.030 . 2 . . . . 28 GLN HB2 . 10091 1 303 . 1 1 28 28 GLN HB3 H 1 1.685 0.030 . 2 . . . . 28 GLN HB3 . 10091 1 304 . 1 1 28 28 GLN HG2 H 1 2.270 0.030 . 2 . . . . 28 GLN HG2 . 10091 1 305 . 1 1 28 28 GLN HG3 H 1 2.194 0.030 . 2 . . . . 28 GLN HG3 . 10091 1 306 . 1 1 28 28 GLN HE21 H 1 7.363 0.030 . 2 . . . . 28 GLN HE21 . 10091 1 307 . 1 1 28 28 GLN HE22 H 1 6.874 0.030 . 2 . . . . 28 GLN HE22 . 10091 1 308 . 1 1 28 28 GLN C C 13 175.679 0.300 . 1 . . . . 28 GLN C . 10091 1 309 . 1 1 28 28 GLN CA C 13 54.423 0.300 . 1 . . . . 28 GLN CA . 10091 1 310 . 1 1 28 28 GLN CB C 13 30.059 0.300 . 1 . . . . 28 GLN CB . 10091 1 311 . 1 1 28 28 GLN CG C 13 34.766 0.300 . 1 . . . . 28 GLN CG . 10091 1 312 . 1 1 28 28 GLN N N 15 120.978 0.300 . 1 . . . . 28 GLN N . 10091 1 313 . 1 1 28 28 GLN NE2 N 15 112.890 0.300 . 1 . . . . 28 GLN NE2 . 10091 1 314 . 1 1 29 29 LEU H H 1 9.139 0.030 . 1 . . . . 29 LEU H . 10091 1 315 . 1 1 29 29 LEU HA H 1 4.986 0.030 . 1 . . . . 29 LEU HA . 10091 1 316 . 1 1 29 29 LEU HB2 H 1 1.486 0.030 . 2 . . . . 29 LEU HB2 . 10091 1 317 . 1 1 29 29 LEU HB3 H 1 1.383 0.030 . 2 . . . . 29 LEU HB3 . 10091 1 318 . 1 1 29 29 LEU HG H 1 1.470 0.030 . 1 . . . . 29 LEU HG . 10091 1 319 . 1 1 29 29 LEU HD11 H 1 0.869 0.030 . 1 . . . . 29 LEU HD1 . 10091 1 320 . 1 1 29 29 LEU HD12 H 1 0.869 0.030 . 1 . . . . 29 LEU HD1 . 10091 1 321 . 1 1 29 29 LEU HD13 H 1 0.869 0.030 . 1 . . . . 29 LEU HD1 . 10091 1 322 . 1 1 29 29 LEU HD21 H 1 0.754 0.030 . 1 . . . . 29 LEU HD2 . 10091 1 323 . 1 1 29 29 LEU HD22 H 1 0.754 0.030 . 1 . . . . 29 LEU HD2 . 10091 1 324 . 1 1 29 29 LEU HD23 H 1 0.754 0.030 . 1 . . . . 29 LEU HD2 . 10091 1 325 . 1 1 29 29 LEU C C 13 173.542 0.300 . 1 . . . . 29 LEU C . 10091 1 326 . 1 1 29 29 LEU CA C 13 51.502 0.300 . 1 . . . . 29 LEU CA . 10091 1 327 . 1 1 29 29 LEU CB C 13 43.867 0.300 . 1 . . . . 29 LEU CB . 10091 1 328 . 1 1 29 29 LEU CG C 13 26.933 0.300 . 1 . . . . 29 LEU CG . 10091 1 329 . 1 1 29 29 LEU CD1 C 13 24.347 0.300 . 2 . . . . 29 LEU CD1 . 10091 1 330 . 1 1 29 29 LEU CD2 C 13 25.765 0.300 . 2 . . . . 29 LEU CD2 . 10091 1 331 . 1 1 29 29 LEU N N 15 125.330 0.300 . 1 . . . . 29 LEU N . 10091 1 332 . 1 1 30 30 PRO HA H 1 4.825 0.030 . 1 . . . . 30 PRO HA . 10091 1 333 . 1 1 30 30 PRO HB2 H 1 2.334 0.030 . 2 . . . . 30 PRO HB2 . 10091 1 334 . 1 1 30 30 PRO HB3 H 1 2.018 0.030 . 2 . . . . 30 PRO HB3 . 10091 1 335 . 1 1 30 30 PRO HG2 H 1 2.184 0.030 . 2 . . . . 30 PRO HG2 . 10091 1 336 . 1 1 30 30 PRO HG3 H 1 2.025 0.030 . 2 . . . . 30 PRO HG3 . 10091 1 337 . 1 1 30 30 PRO HD2 H 1 3.838 0.030 . 2 . . . . 30 PRO HD2 . 10091 1 338 . 1 1 30 30 PRO HD3 H 1 3.736 0.030 . 2 . . . . 30 PRO HD3 . 10091 1 339 . 1 1 30 30 PRO C C 13 177.742 0.300 . 1 . . . . 30 PRO C . 10091 1 340 . 1 1 30 30 PRO CA C 13 62.390 0.300 . 1 . . . . 30 PRO CA . 10091 1 341 . 1 1 30 30 PRO CB C 13 32.077 0.300 . 1 . . . . 30 PRO CB . 10091 1 342 . 1 1 30 30 PRO CG C 13 27.574 0.300 . 1 . . . . 30 PRO CG . 10091 1 343 . 1 1 30 30 PRO CD C 13 50.411 0.300 . 1 . . . . 30 PRO CD . 10091 1 344 . 1 1 31 31 ASP H H 1 9.012 0.030 . 1 . . . . 31 ASP H . 10091 1 345 . 1 1 31 31 ASP HA H 1 4.148 0.030 . 1 . . . . 31 ASP HA . 10091 1 346 . 1 1 31 31 ASP HB2 H 1 2.848 0.030 . 2 . . . . 31 ASP HB2 . 10091 1 347 . 1 1 31 31 ASP HB3 H 1 2.613 0.030 . 2 . . . . 31 ASP HB3 . 10091 1 348 . 1 1 31 31 ASP C C 13 175.169 0.300 . 1 . . . . 31 ASP C . 10091 1 349 . 1 1 31 31 ASP CA C 13 55.480 0.300 . 1 . . . . 31 ASP CA . 10091 1 350 . 1 1 31 31 ASP CB C 13 39.332 0.300 . 1 . . . . 31 ASP CB . 10091 1 351 . 1 1 31 31 ASP N N 15 121.960 0.300 . 1 . . . . 31 ASP N . 10091 1 352 . 1 1 32 32 SER H H 1 7.438 0.030 . 1 . . . . 32 SER H . 10091 1 353 . 1 1 32 32 SER HA H 1 4.376 0.030 . 1 . . . . 32 SER HA . 10091 1 354 . 1 1 32 32 SER HB2 H 1 4.104 0.030 . 2 . . . . 32 SER HB2 . 10091 1 355 . 1 1 32 32 SER HB3 H 1 3.840 0.030 . 2 . . . . 32 SER HB3 . 10091 1 356 . 1 1 32 32 SER C C 13 175.315 0.300 . 1 . . . . 32 SER C . 10091 1 357 . 1 1 32 32 SER CA C 13 57.184 0.300 . 1 . . . . 32 SER CA . 10091 1 358 . 1 1 32 32 SER CB C 13 63.638 0.300 . 1 . . . . 32 SER CB . 10091 1 359 . 1 1 32 32 SER N N 15 110.163 0.300 . 1 . . . . 32 SER N . 10091 1 360 . 1 1 33 33 MET H H 1 7.908 0.030 . 1 . . . . 33 MET H . 10091 1 361 . 1 1 33 33 MET HA H 1 4.250 0.030 . 1 . . . . 33 MET HA . 10091 1 362 . 1 1 33 33 MET HB2 H 1 2.058 0.030 . 2 . . . . 33 MET HB2 . 10091 1 363 . 1 1 33 33 MET HB3 H 1 1.996 0.030 . 2 . . . . 33 MET HB3 . 10091 1 364 . 1 1 33 33 MET HG2 H 1 2.822 0.030 . 2 . . . . 33 MET HG2 . 10091 1 365 . 1 1 33 33 MET HG3 H 1 2.575 0.030 . 2 . . . . 33 MET HG3 . 10091 1 366 . 1 1 33 33 MET HE1 H 1 2.053 0.030 . 1 . . . . 33 MET HE . 10091 1 367 . 1 1 33 33 MET HE2 H 1 2.053 0.030 . 1 . . . . 33 MET HE . 10091 1 368 . 1 1 33 33 MET HE3 H 1 2.053 0.030 . 1 . . . . 33 MET HE . 10091 1 369 . 1 1 33 33 MET C C 13 175.803 0.300 . 1 . . . . 33 MET C . 10091 1 370 . 1 1 33 33 MET CA C 13 57.313 0.300 . 1 . . . . 33 MET CA . 10091 1 371 . 1 1 33 33 MET CB C 13 34.547 0.300 . 1 . . . . 33 MET CB . 10091 1 372 . 1 1 33 33 MET CG C 13 33.531 0.300 . 1 . . . . 33 MET CG . 10091 1 373 . 1 1 33 33 MET CE C 13 17.440 0.300 . 1 . . . . 33 MET CE . 10091 1 374 . 1 1 33 33 MET N N 15 125.419 0.300 . 1 . . . . 33 MET N . 10091 1 375 . 1 1 34 34 THR H H 1 7.784 0.030 . 1 . . . . 34 THR H . 10091 1 376 . 1 1 34 34 THR HA H 1 4.620 0.030 . 1 . . . . 34 THR HA . 10091 1 377 . 1 1 34 34 THR HB H 1 4.632 0.030 . 1 . . . . 34 THR HB . 10091 1 378 . 1 1 34 34 THR HG21 H 1 1.234 0.030 . 1 . . . . 34 THR HG2 . 10091 1 379 . 1 1 34 34 THR HG22 H 1 1.234 0.030 . 1 . . . . 34 THR HG2 . 10091 1 380 . 1 1 34 34 THR HG23 H 1 1.234 0.030 . 1 . . . . 34 THR HG2 . 10091 1 381 . 1 1 34 34 THR C C 13 176.189 0.300 . 1 . . . . 34 THR C . 10091 1 382 . 1 1 34 34 THR CA C 13 60.689 0.300 . 1 . . . . 34 THR CA . 10091 1 383 . 1 1 34 34 THR CB C 13 70.514 0.300 . 1 . . . . 34 THR CB . 10091 1 384 . 1 1 34 34 THR CG2 C 13 22.644 0.300 . 1 . . . . 34 THR CG2 . 10091 1 385 . 1 1 34 34 THR N N 15 114.328 0.300 . 1 . . . . 34 THR N . 10091 1 386 . 1 1 35 35 VAL H H 1 8.368 0.030 . 1 . . . . 35 VAL H . 10091 1 387 . 1 1 35 35 VAL HA H 1 3.340 0.030 . 1 . . . . 35 VAL HA . 10091 1 388 . 1 1 35 35 VAL HB H 1 2.527 0.030 . 1 . . . . 35 VAL HB . 10091 1 389 . 1 1 35 35 VAL HG11 H 1 0.942 0.030 . 1 . . . . 35 VAL HG1 . 10091 1 390 . 1 1 35 35 VAL HG12 H 1 0.942 0.030 . 1 . . . . 35 VAL HG1 . 10091 1 391 . 1 1 35 35 VAL HG13 H 1 0.942 0.030 . 1 . . . . 35 VAL HG1 . 10091 1 392 . 1 1 35 35 VAL HG21 H 1 1.124 0.030 . 1 . . . . 35 VAL HG2 . 10091 1 393 . 1 1 35 35 VAL HG22 H 1 1.124 0.030 . 1 . . . . 35 VAL HG2 . 10091 1 394 . 1 1 35 35 VAL HG23 H 1 1.124 0.030 . 1 . . . . 35 VAL HG2 . 10091 1 395 . 1 1 35 35 VAL C C 13 178.107 0.300 . 1 . . . . 35 VAL C . 10091 1 396 . 1 1 35 35 VAL CA C 13 67.960 0.300 . 1 . . . . 35 VAL CA . 10091 1 397 . 1 1 35 35 VAL CB C 13 31.849 0.300 . 1 . . . . 35 VAL CB . 10091 1 398 . 1 1 35 35 VAL CG1 C 13 21.460 0.300 . 2 . . . . 35 VAL CG1 . 10091 1 399 . 1 1 35 35 VAL CG2 C 13 25.079 0.300 . 2 . . . . 35 VAL CG2 . 10091 1 400 . 1 1 35 35 VAL N N 15 122.994 0.300 . 1 . . . . 35 VAL N . 10091 1 401 . 1 1 36 36 GLN H H 1 9.530 0.030 . 1 . . . . 36 GLN H . 10091 1 402 . 1 1 36 36 GLN HA H 1 3.825 0.030 . 1 . . . . 36 GLN HA . 10091 1 403 . 1 1 36 36 GLN HB2 H 1 2.146 0.030 . 2 . . . . 36 GLN HB2 . 10091 1 404 . 1 1 36 36 GLN HB3 H 1 2.003 0.030 . 2 . . . . 36 GLN HB3 . 10091 1 405 . 1 1 36 36 GLN HG2 H 1 2.349 0.030 . 2 . . . . 36 GLN HG2 . 10091 1 406 . 1 1 36 36 GLN HG3 H 1 2.204 0.030 . 2 . . . . 36 GLN HG3 . 10091 1 407 . 1 1 36 36 GLN HE21 H 1 7.627 0.030 . 2 . . . . 36 GLN HE21 . 10091 1 408 . 1 1 36 36 GLN HE22 H 1 6.823 0.030 . 2 . . . . 36 GLN HE22 . 10091 1 409 . 1 1 36 36 GLN C C 13 178.519 0.300 . 1 . . . . 36 GLN C . 10091 1 410 . 1 1 36 36 GLN CA C 13 59.887 0.300 . 1 . . . . 36 GLN CA . 10091 1 411 . 1 1 36 36 GLN CB C 13 29.543 0.300 . 1 . . . . 36 GLN CB . 10091 1 412 . 1 1 36 36 GLN CG C 13 33.778 0.300 . 1 . . . . 36 GLN CG . 10091 1 413 . 1 1 36 36 GLN N N 15 118.851 0.300 . 1 . . . . 36 GLN N . 10091 1 414 . 1 1 36 36 GLN NE2 N 15 111.808 0.300 . 1 . . . . 36 GLN NE2 . 10091 1 415 . 1 1 37 37 LYS H H 1 7.675 0.030 . 1 . . . . 37 LYS H . 10091 1 416 . 1 1 37 37 LYS HA H 1 4.163 0.030 . 1 . . . . 37 LYS HA . 10091 1 417 . 1 1 37 37 LYS HB2 H 1 2.087 0.030 . 2 . . . . 37 LYS HB2 . 10091 1 418 . 1 1 37 37 LYS HB3 H 1 1.887 0.030 . 2 . . . . 37 LYS HB3 . 10091 1 419 . 1 1 37 37 LYS HG2 H 1 1.632 0.030 . 2 . . . . 37 LYS HG2 . 10091 1 420 . 1 1 37 37 LYS HG3 H 1 1.486 0.030 . 2 . . . . 37 LYS HG3 . 10091 1 421 . 1 1 37 37 LYS HD2 H 1 1.770 0.030 . 1 . . . . 37 LYS HD2 . 10091 1 422 . 1 1 37 37 LYS HD3 H 1 1.770 0.030 . 1 . . . . 37 LYS HD3 . 10091 1 423 . 1 1 37 37 LYS HE2 H 1 3.035 0.030 . 1 . . . . 37 LYS HE2 . 10091 1 424 . 1 1 37 37 LYS HE3 H 1 3.035 0.030 . 1 . . . . 37 LYS HE3 . 10091 1 425 . 1 1 37 37 LYS C C 13 180.122 0.300 . 1 . . . . 37 LYS C . 10091 1 426 . 1 1 37 37 LYS CA C 13 59.005 0.300 . 1 . . . . 37 LYS CA . 10091 1 427 . 1 1 37 37 LYS CB C 13 32.164 0.300 . 1 . . . . 37 LYS CB . 10091 1 428 . 1 1 37 37 LYS CG C 13 26.232 0.300 . 1 . . . . 37 LYS CG . 10091 1 429 . 1 1 37 37 LYS CD C 13 29.014 0.300 . 1 . . . . 37 LYS CD . 10091 1 430 . 1 1 37 37 LYS CE C 13 42.463 0.300 . 1 . . . . 37 LYS CE . 10091 1 431 . 1 1 37 37 LYS N N 15 120.614 0.300 . 1 . . . . 37 LYS N . 10091 1 432 . 1 1 38 38 VAL H H 1 8.667 0.030 . 1 . . . . 38 VAL H . 10091 1 433 . 1 1 38 38 VAL HA H 1 3.559 0.030 . 1 . . . . 38 VAL HA . 10091 1 434 . 1 1 38 38 VAL HB H 1 2.233 0.030 . 1 . . . . 38 VAL HB . 10091 1 435 . 1 1 38 38 VAL HG11 H 1 0.795 0.030 . 1 . . . . 38 VAL HG1 . 10091 1 436 . 1 1 38 38 VAL HG12 H 1 0.795 0.030 . 1 . . . . 38 VAL HG1 . 10091 1 437 . 1 1 38 38 VAL HG13 H 1 0.795 0.030 . 1 . . . . 38 VAL HG1 . 10091 1 438 . 1 1 38 38 VAL HG21 H 1 1.010 0.030 . 1 . . . . 38 VAL HG2 . 10091 1 439 . 1 1 38 38 VAL HG22 H 1 1.010 0.030 . 1 . . . . 38 VAL HG2 . 10091 1 440 . 1 1 38 38 VAL HG23 H 1 1.010 0.030 . 1 . . . . 38 VAL HG2 . 10091 1 441 . 1 1 38 38 VAL C C 13 178.325 0.300 . 1 . . . . 38 VAL C . 10091 1 442 . 1 1 38 38 VAL CA C 13 67.202 0.300 . 1 . . . . 38 VAL CA . 10091 1 443 . 1 1 38 38 VAL CB C 13 31.178 0.300 . 1 . . . . 38 VAL CB . 10091 1 444 . 1 1 38 38 VAL CG1 C 13 22.331 0.300 . 2 . . . . 38 VAL CG1 . 10091 1 445 . 1 1 38 38 VAL CG2 C 13 23.007 0.300 . 2 . . . . 38 VAL CG2 . 10091 1 446 . 1 1 38 38 VAL N N 15 123.698 0.300 . 1 . . . . 38 VAL N . 10091 1 447 . 1 1 39 39 LYS H H 1 8.854 0.030 . 1 . . . . 39 LYS H . 10091 1 448 . 1 1 39 39 LYS HA H 1 3.726 0.030 . 1 . . . . 39 LYS HA . 10091 1 449 . 1 1 39 39 LYS HB2 H 1 2.145 0.030 . 2 . . . . 39 LYS HB2 . 10091 1 450 . 1 1 39 39 LYS HB3 H 1 1.778 0.030 . 2 . . . . 39 LYS HB3 . 10091 1 451 . 1 1 39 39 LYS HG2 H 1 1.785 0.030 . 2 . . . . 39 LYS HG2 . 10091 1 452 . 1 1 39 39 LYS HG3 H 1 1.029 0.030 . 2 . . . . 39 LYS HG3 . 10091 1 453 . 1 1 39 39 LYS HD2 H 1 1.797 0.030 . 2 . . . . 39 LYS HD2 . 10091 1 454 . 1 1 39 39 LYS HD3 H 1 1.693 0.030 . 2 . . . . 39 LYS HD3 . 10091 1 455 . 1 1 39 39 LYS HE2 H 1 2.882 0.030 . 2 . . . . 39 LYS HE2 . 10091 1 456 . 1 1 39 39 LYS HE3 H 1 2.735 0.030 . 2 . . . . 39 LYS HE3 . 10091 1 457 . 1 1 39 39 LYS C C 13 178.495 0.300 . 1 . . . . 39 LYS C . 10091 1 458 . 1 1 39 39 LYS CA C 13 61.266 0.300 . 1 . . . . 39 LYS CA . 10091 1 459 . 1 1 39 39 LYS CB C 13 33.072 0.300 . 1 . . . . 39 LYS CB . 10091 1 460 . 1 1 39 39 LYS CG C 13 28.279 0.300 . 1 . . . . 39 LYS CG . 10091 1 461 . 1 1 39 39 LYS CD C 13 30.465 0.300 . 1 . . . . 39 LYS CD . 10091 1 462 . 1 1 39 39 LYS CE C 13 42.526 0.300 . 1 . . . . 39 LYS CE . 10091 1 463 . 1 1 39 39 LYS N N 15 118.818 0.300 . 1 . . . . 39 LYS N . 10091 1 464 . 1 1 40 40 GLY H H 1 8.081 0.030 . 1 . . . . 40 GLY H . 10091 1 465 . 1 1 40 40 GLY HA2 H 1 3.950 0.030 . 2 . . . . 40 GLY HA2 . 10091 1 466 . 1 1 40 40 GLY HA3 H 1 3.647 0.030 . 2 . . . . 40 GLY HA3 . 10091 1 467 . 1 1 40 40 GLY C C 13 175.970 0.300 . 1 . . . . 40 GLY C . 10091 1 468 . 1 1 40 40 GLY CA C 13 47.689 0.300 . 1 . . . . 40 GLY CA . 10091 1 469 . 1 1 40 40 GLY N N 15 106.085 0.300 . 1 . . . . 40 GLY N . 10091 1 470 . 1 1 41 41 LEU H H 1 7.835 0.030 . 1 . . . . 41 LEU H . 10091 1 471 . 1 1 41 41 LEU HA H 1 4.129 0.030 . 1 . . . . 41 LEU HA . 10091 1 472 . 1 1 41 41 LEU HB2 H 1 1.875 0.030 . 2 . . . . 41 LEU HB2 . 10091 1 473 . 1 1 41 41 LEU HB3 H 1 1.779 0.030 . 2 . . . . 41 LEU HB3 . 10091 1 474 . 1 1 41 41 LEU HG H 1 1.682 0.030 . 1 . . . . 41 LEU HG . 10091 1 475 . 1 1 41 41 LEU HD11 H 1 0.925 0.030 . 1 . . . . 41 LEU HD1 . 10091 1 476 . 1 1 41 41 LEU HD12 H 1 0.925 0.030 . 1 . . . . 41 LEU HD1 . 10091 1 477 . 1 1 41 41 LEU HD13 H 1 0.925 0.030 . 1 . . . . 41 LEU HD1 . 10091 1 478 . 1 1 41 41 LEU HD21 H 1 0.837 0.030 . 1 . . . . 41 LEU HD2 . 10091 1 479 . 1 1 41 41 LEU HD22 H 1 0.837 0.030 . 1 . . . . 41 LEU HD2 . 10091 1 480 . 1 1 41 41 LEU HD23 H 1 0.837 0.030 . 1 . . . . 41 LEU HD2 . 10091 1 481 . 1 1 41 41 LEU C C 13 179.806 0.300 . 1 . . . . 41 LEU C . 10091 1 482 . 1 1 41 41 LEU CA C 13 58.437 0.300 . 1 . . . . 41 LEU CA . 10091 1 483 . 1 1 41 41 LEU CB C 13 42.134 0.300 . 1 . . . . 41 LEU CB . 10091 1 484 . 1 1 41 41 LEU CG C 13 27.056 0.300 . 1 . . . . 41 LEU CG . 10091 1 485 . 1 1 41 41 LEU CD1 C 13 25.079 0.300 . 2 . . . . 41 LEU CD1 . 10091 1 486 . 1 1 41 41 LEU CD2 C 13 25.231 0.300 . 2 . . . . 41 LEU CD2 . 10091 1 487 . 1 1 41 41 LEU N N 15 124.127 0.300 . 1 . . . . 41 LEU N . 10091 1 488 . 1 1 42 42 LEU H H 1 8.577 0.030 . 1 . . . . 42 LEU H . 10091 1 489 . 1 1 42 42 LEU HA H 1 3.932 0.030 . 1 . . . . 42 LEU HA . 10091 1 490 . 1 1 42 42 LEU HB2 H 1 1.907 0.030 . 2 . . . . 42 LEU HB2 . 10091 1 491 . 1 1 42 42 LEU HB3 H 1 1.227 0.030 . 2 . . . . 42 LEU HB3 . 10091 1 492 . 1 1 42 42 LEU HG H 1 1.935 0.030 . 1 . . . . 42 LEU HG . 10091 1 493 . 1 1 42 42 LEU HD11 H 1 0.803 0.030 . 1 . . . . 42 LEU HD1 . 10091 1 494 . 1 1 42 42 LEU HD12 H 1 0.803 0.030 . 1 . . . . 42 LEU HD1 . 10091 1 495 . 1 1 42 42 LEU HD13 H 1 0.803 0.030 . 1 . . . . 42 LEU HD1 . 10091 1 496 . 1 1 42 42 LEU HD21 H 1 0.754 0.030 . 1 . . . . 42 LEU HD2 . 10091 1 497 . 1 1 42 42 LEU HD22 H 1 0.754 0.030 . 1 . . . . 42 LEU HD2 . 10091 1 498 . 1 1 42 42 LEU HD23 H 1 0.754 0.030 . 1 . . . . 42 LEU HD2 . 10091 1 499 . 1 1 42 42 LEU C C 13 178.190 0.300 . 1 . . . . 42 LEU C . 10091 1 500 . 1 1 42 42 LEU CA C 13 57.528 0.300 . 1 . . . . 42 LEU CA . 10091 1 501 . 1 1 42 42 LEU CB C 13 41.463 0.300 . 1 . . . . 42 LEU CB . 10091 1 502 . 1 1 42 42 LEU CG C 13 26.777 0.300 . 1 . . . . 42 LEU CG . 10091 1 503 . 1 1 42 42 LEU CD1 C 13 27.334 0.300 . 2 . . . . 42 LEU CD1 . 10091 1 504 . 1 1 42 42 LEU CD2 C 13 22.507 0.300 . 2 . . . . 42 LEU CD2 . 10091 1 505 . 1 1 42 42 LEU N N 15 119.227 0.300 . 1 . . . . 42 LEU N . 10091 1 506 . 1 1 43 43 SER H H 1 8.821 0.030 . 1 . . . . 43 SER H . 10091 1 507 . 1 1 43 43 SER HA H 1 4.229 0.030 . 1 . . . . 43 SER HA . 10091 1 508 . 1 1 43 43 SER HB2 H 1 3.986 0.030 . 1 . . . . 43 SER HB2 . 10091 1 509 . 1 1 43 43 SER HB3 H 1 3.986 0.030 . 1 . . . . 43 SER HB3 . 10091 1 510 . 1 1 43 43 SER C C 13 178.179 0.300 . 1 . . . . 43 SER C . 10091 1 511 . 1 1 43 43 SER CA C 13 60.892 0.300 . 1 . . . . 43 SER CA . 10091 1 512 . 1 1 43 43 SER CB C 13 63.756 0.300 . 1 . . . . 43 SER CB . 10091 1 513 . 1 1 43 43 SER N N 15 115.118 0.300 . 1 . . . . 43 SER N . 10091 1 514 . 1 1 44 44 ARG H H 1 7.285 0.030 . 1 . . . . 44 ARG H . 10091 1 515 . 1 1 44 44 ARG HA H 1 4.104 0.030 . 1 . . . . 44 ARG HA . 10091 1 516 . 1 1 44 44 ARG HB2 H 1 1.948 0.030 . 1 . . . . 44 ARG HB2 . 10091 1 517 . 1 1 44 44 ARG HB3 H 1 1.948 0.030 . 1 . . . . 44 ARG HB3 . 10091 1 518 . 1 1 44 44 ARG HG2 H 1 1.853 0.030 . 2 . . . . 44 ARG HG2 . 10091 1 519 . 1 1 44 44 ARG HG3 H 1 1.626 0.030 . 2 . . . . 44 ARG HG3 . 10091 1 520 . 1 1 44 44 ARG HD2 H 1 3.265 0.030 . 2 . . . . 44 ARG HD2 . 10091 1 521 . 1 1 44 44 ARG HD3 H 1 3.207 0.030 . 2 . . . . 44 ARG HD3 . 10091 1 522 . 1 1 44 44 ARG C C 13 178.301 0.300 . 1 . . . . 44 ARG C . 10091 1 523 . 1 1 44 44 ARG CA C 13 58.794 0.300 . 1 . . . . 44 ARG CA . 10091 1 524 . 1 1 44 44 ARG CB C 13 30.269 0.300 . 1 . . . . 44 ARG CB . 10091 1 525 . 1 1 44 44 ARG CG C 13 27.869 0.300 . 1 . . . . 44 ARG CG . 10091 1 526 . 1 1 44 44 ARG CD C 13 43.448 0.300 . 1 . . . . 44 ARG CD . 10091 1 527 . 1 1 44 44 ARG N N 15 118.504 0.300 . 1 . . . . 44 ARG N . 10091 1 528 . 1 1 45 45 LEU H H 1 7.764 0.030 . 1 . . . . 45 LEU H . 10091 1 529 . 1 1 45 45 LEU HA H 1 4.149 0.030 . 1 . . . . 45 LEU HA . 10091 1 530 . 1 1 45 45 LEU HB2 H 1 1.717 0.030 . 2 . . . . 45 LEU HB2 . 10091 1 531 . 1 1 45 45 LEU HB3 H 1 1.625 0.030 . 2 . . . . 45 LEU HB3 . 10091 1 532 . 1 1 45 45 LEU HG H 1 1.700 0.030 . 1 . . . . 45 LEU HG . 10091 1 533 . 1 1 45 45 LEU HD11 H 1 0.845 0.030 . 1 . . . . 45 LEU HD1 . 10091 1 534 . 1 1 45 45 LEU HD12 H 1 0.845 0.030 . 1 . . . . 45 LEU HD1 . 10091 1 535 . 1 1 45 45 LEU HD13 H 1 0.845 0.030 . 1 . . . . 45 LEU HD1 . 10091 1 536 . 1 1 45 45 LEU HD21 H 1 0.864 0.030 . 1 . . . . 45 LEU HD2 . 10091 1 537 . 1 1 45 45 LEU HD22 H 1 0.864 0.030 . 1 . . . . 45 LEU HD2 . 10091 1 538 . 1 1 45 45 LEU HD23 H 1 0.864 0.030 . 1 . . . . 45 LEU HD2 . 10091 1 539 . 1 1 45 45 LEU C C 13 178.645 0.300 . 1 . . . . 45 LEU C . 10091 1 540 . 1 1 45 45 LEU CA C 13 57.601 0.300 . 1 . . . . 45 LEU CA . 10091 1 541 . 1 1 45 45 LEU CB C 13 43.383 0.300 . 1 . . . . 45 LEU CB . 10091 1 542 . 1 1 45 45 LEU CG C 13 26.727 0.300 . 1 . . . . 45 LEU CG . 10091 1 543 . 1 1 45 45 LEU CD1 C 13 24.094 0.300 . 2 . . . . 45 LEU CD1 . 10091 1 544 . 1 1 45 45 LEU CD2 C 13 24.172 0.300 . 2 . . . . 45 LEU CD2 . 10091 1 545 . 1 1 45 45 LEU N N 15 118.732 0.300 . 1 . . . . 45 LEU N . 10091 1 546 . 1 1 46 46 LEU H H 1 8.548 0.030 . 1 . . . . 46 LEU H . 10091 1 547 . 1 1 46 46 LEU HA H 1 4.148 0.030 . 1 . . . . 46 LEU HA . 10091 1 548 . 1 1 46 46 LEU HB2 H 1 1.469 0.030 . 2 . . . . 46 LEU HB2 . 10091 1 549 . 1 1 46 46 LEU HB3 H 1 1.228 0.030 . 2 . . . . 46 LEU HB3 . 10091 1 550 . 1 1 46 46 LEU HG H 1 1.662 0.030 . 1 . . . . 46 LEU HG . 10091 1 551 . 1 1 46 46 LEU HD11 H 1 0.764 0.030 . 1 . . . . 46 LEU HD1 . 10091 1 552 . 1 1 46 46 LEU HD12 H 1 0.764 0.030 . 1 . . . . 46 LEU HD1 . 10091 1 553 . 1 1 46 46 LEU HD13 H 1 0.764 0.030 . 1 . . . . 46 LEU HD1 . 10091 1 554 . 1 1 46 46 LEU HD21 H 1 0.780 0.030 . 1 . . . . 46 LEU HD2 . 10091 1 555 . 1 1 46 46 LEU HD22 H 1 0.780 0.030 . 1 . . . . 46 LEU HD2 . 10091 1 556 . 1 1 46 46 LEU HD23 H 1 0.780 0.030 . 1 . . . . 46 LEU HD2 . 10091 1 557 . 1 1 46 46 LEU C C 13 176.109 0.300 . 1 . . . . 46 LEU C . 10091 1 558 . 1 1 46 46 LEU CA C 13 54.634 0.300 . 1 . . . . 46 LEU CA . 10091 1 559 . 1 1 46 46 LEU CB C 13 42.413 0.300 . 1 . . . . 46 LEU CB . 10091 1 560 . 1 1 46 46 LEU CG C 13 27.127 0.300 . 1 . . . . 46 LEU CG . 10091 1 561 . 1 1 46 46 LEU CD1 C 13 26.947 0.300 . 2 . . . . 46 LEU CD1 . 10091 1 562 . 1 1 46 46 LEU CD2 C 13 22.204 0.300 . 2 . . . . 46 LEU CD2 . 10091 1 563 . 1 1 46 46 LEU N N 15 115.345 0.300 . 1 . . . . 46 LEU N . 10091 1 564 . 1 1 47 47 LYS H H 1 7.663 0.030 . 1 . . . . 47 LYS H . 10091 1 565 . 1 1 47 47 LYS HA H 1 3.831 0.030 . 1 . . . . 47 LYS HA . 10091 1 566 . 1 1 47 47 LYS HB2 H 1 2.081 0.030 . 2 . . . . 47 LYS HB2 . 10091 1 567 . 1 1 47 47 LYS HB3 H 1 1.771 0.030 . 2 . . . . 47 LYS HB3 . 10091 1 568 . 1 1 47 47 LYS HG2 H 1 1.275 0.030 . 1 . . . . 47 LYS HG2 . 10091 1 569 . 1 1 47 47 LYS HG3 H 1 1.275 0.030 . 1 . . . . 47 LYS HG3 . 10091 1 570 . 1 1 47 47 LYS HD2 H 1 1.649 0.030 . 1 . . . . 47 LYS HD2 . 10091 1 571 . 1 1 47 47 LYS HD3 H 1 1.649 0.030 . 1 . . . . 47 LYS HD3 . 10091 1 572 . 1 1 47 47 LYS HE2 H 1 3.011 0.030 . 1 . . . . 47 LYS HE2 . 10091 1 573 . 1 1 47 47 LYS HE3 H 1 3.011 0.030 . 1 . . . . 47 LYS HE3 . 10091 1 574 . 1 1 47 47 LYS C C 13 174.926 0.300 . 1 . . . . 47 LYS C . 10091 1 575 . 1 1 47 47 LYS CA C 13 56.831 0.300 . 1 . . . . 47 LYS CA . 10091 1 576 . 1 1 47 47 LYS CB C 13 28.316 0.300 . 1 . . . . 47 LYS CB . 10091 1 577 . 1 1 47 47 LYS CG C 13 24.915 0.300 . 1 . . . . 47 LYS CG . 10091 1 578 . 1 1 47 47 LYS CD C 13 29.192 0.300 . 1 . . . . 47 LYS CD . 10091 1 579 . 1 1 47 47 LYS CE C 13 42.440 0.300 . 1 . . . . 47 LYS CE . 10091 1 580 . 1 1 47 47 LYS N N 15 115.681 0.300 . 1 . . . . 47 LYS N . 10091 1 581 . 1 1 48 48 VAL H H 1 7.092 0.030 . 1 . . . . 48 VAL H . 10091 1 582 . 1 1 48 48 VAL HA H 1 4.252 0.030 . 1 . . . . 48 VAL HA . 10091 1 583 . 1 1 48 48 VAL HB H 1 1.120 0.030 . 1 . . . . 48 VAL HB . 10091 1 584 . 1 1 48 48 VAL HG11 H 1 0.282 0.030 . 1 . . . . 48 VAL HG1 . 10091 1 585 . 1 1 48 48 VAL HG12 H 1 0.282 0.030 . 1 . . . . 48 VAL HG1 . 10091 1 586 . 1 1 48 48 VAL HG13 H 1 0.282 0.030 . 1 . . . . 48 VAL HG1 . 10091 1 587 . 1 1 48 48 VAL HG21 H 1 -0.196 0.030 . 1 . . . . 48 VAL HG2 . 10091 1 588 . 1 1 48 48 VAL HG22 H 1 -0.196 0.030 . 1 . . . . 48 VAL HG2 . 10091 1 589 . 1 1 48 48 VAL HG23 H 1 -0.196 0.030 . 1 . . . . 48 VAL HG2 . 10091 1 590 . 1 1 48 48 VAL C C 13 173.469 0.300 . 1 . . . . 48 VAL C . 10091 1 591 . 1 1 48 48 VAL CA C 13 58.299 0.300 . 1 . . . . 48 VAL CA . 10091 1 592 . 1 1 48 48 VAL CB C 13 35.940 0.300 . 1 . . . . 48 VAL CB . 10091 1 593 . 1 1 48 48 VAL CG1 C 13 19.979 0.300 . 2 . . . . 48 VAL CG1 . 10091 1 594 . 1 1 48 48 VAL CG2 C 13 19.342 0.300 . 2 . . . . 48 VAL CG2 . 10091 1 595 . 1 1 48 48 VAL N N 15 118.445 0.300 . 1 . . . . 48 VAL N . 10091 1 596 . 1 1 49 49 PRO HA H 1 4.262 0.030 . 1 . . . . 49 PRO HA . 10091 1 597 . 1 1 49 49 PRO HB2 H 1 2.366 0.030 . 2 . . . . 49 PRO HB2 . 10091 1 598 . 1 1 49 49 PRO HB3 H 1 1.752 0.030 . 2 . . . . 49 PRO HB3 . 10091 1 599 . 1 1 49 49 PRO HG2 H 1 2.015 0.030 . 2 . . . . 49 PRO HG2 . 10091 1 600 . 1 1 49 49 PRO HG3 H 1 1.853 0.030 . 2 . . . . 49 PRO HG3 . 10091 1 601 . 1 1 49 49 PRO HD2 H 1 3.702 0.030 . 2 . . . . 49 PRO HD2 . 10091 1 602 . 1 1 49 49 PRO HD3 H 1 3.342 0.030 . 2 . . . . 49 PRO HD3 . 10091 1 603 . 1 1 49 49 PRO C C 13 177.694 0.300 . 1 . . . . 49 PRO C . 10091 1 604 . 1 1 49 49 PRO CA C 13 63.200 0.300 . 1 . . . . 49 PRO CA . 10091 1 605 . 1 1 49 49 PRO CB C 13 32.570 0.300 . 1 . . . . 49 PRO CB . 10091 1 606 . 1 1 49 49 PRO CG C 13 27.880 0.300 . 1 . . . . 49 PRO CG . 10091 1 607 . 1 1 49 49 PRO CD C 13 51.452 0.300 . 1 . . . . 49 PRO CD . 10091 1 608 . 1 1 50 50 VAL H H 1 8.486 0.030 . 1 . . . . 50 VAL H . 10091 1 609 . 1 1 50 50 VAL HA H 1 3.583 0.030 . 1 . . . . 50 VAL HA . 10091 1 610 . 1 1 50 50 VAL HB H 1 2.109 0.030 . 1 . . . . 50 VAL HB . 10091 1 611 . 1 1 50 50 VAL HG11 H 1 1.067 0.030 . 1 . . . . 50 VAL HG1 . 10091 1 612 . 1 1 50 50 VAL HG12 H 1 1.067 0.030 . 1 . . . . 50 VAL HG1 . 10091 1 613 . 1 1 50 50 VAL HG13 H 1 1.067 0.030 . 1 . . . . 50 VAL HG1 . 10091 1 614 . 1 1 50 50 VAL HG21 H 1 0.988 0.030 . 1 . . . . 50 VAL HG2 . 10091 1 615 . 1 1 50 50 VAL HG22 H 1 0.988 0.030 . 1 . . . . 50 VAL HG2 . 10091 1 616 . 1 1 50 50 VAL HG23 H 1 0.988 0.030 . 1 . . . . 50 VAL HG2 . 10091 1 617 . 1 1 50 50 VAL C C 13 177.672 0.300 . 1 . . . . 50 VAL C . 10091 1 618 . 1 1 50 50 VAL CA C 13 66.373 0.300 . 1 . . . . 50 VAL CA . 10091 1 619 . 1 1 50 50 VAL CB C 13 32.164 0.300 . 1 . . . . 50 VAL CB . 10091 1 620 . 1 1 50 50 VAL CG1 C 13 22.497 0.300 . 2 . . . . 50 VAL CG1 . 10091 1 621 . 1 1 50 50 VAL CG2 C 13 20.749 0.300 . 2 . . . . 50 VAL CG2 . 10091 1 622 . 1 1 50 50 VAL N N 15 123.430 0.300 . 1 . . . . 50 VAL N . 10091 1 623 . 1 1 51 51 SER H H 1 8.147 0.030 . 1 . . . . 51 SER H . 10091 1 624 . 1 1 51 51 SER HA H 1 4.206 0.030 . 1 . . . . 51 SER HA . 10091 1 625 . 1 1 51 51 SER HB2 H 1 4.022 0.030 . 2 . . . . 51 SER HB2 . 10091 1 626 . 1 1 51 51 SER HB3 H 1 3.885 0.030 . 2 . . . . 51 SER HB3 . 10091 1 627 . 1 1 51 51 SER C C 13 175.145 0.300 . 1 . . . . 51 SER C . 10091 1 628 . 1 1 51 51 SER CA C 13 60.166 0.300 . 1 . . . . 51 SER CA . 10091 1 629 . 1 1 51 51 SER CB C 13 62.613 0.300 . 1 . . . . 51 SER CB . 10091 1 630 . 1 1 51 51 SER N N 15 112.378 0.300 . 1 . . . . 51 SER N . 10091 1 631 . 1 1 52 52 GLU H H 1 7.629 0.030 . 1 . . . . 52 GLU H . 10091 1 632 . 1 1 52 52 GLU HA H 1 4.468 0.030 . 1 . . . . 52 GLU HA . 10091 1 633 . 1 1 52 52 GLU HB2 H 1 2.473 0.030 . 2 . . . . 52 GLU HB2 . 10091 1 634 . 1 1 52 52 GLU HB3 H 1 1.800 0.030 . 2 . . . . 52 GLU HB3 . 10091 1 635 . 1 1 52 52 GLU HG2 H 1 2.251 0.030 . 2 . . . . 52 GLU HG2 . 10091 1 636 . 1 1 52 52 GLU HG3 H 1 2.183 0.030 . 2 . . . . 52 GLU HG3 . 10091 1 637 . 1 1 52 52 GLU C C 13 175.873 0.300 . 1 . . . . 52 GLU C . 10091 1 638 . 1 1 52 52 GLU CA C 13 55.556 0.300 . 1 . . . . 52 GLU CA . 10091 1 639 . 1 1 52 52 GLU CB C 13 30.754 0.300 . 1 . . . . 52 GLU CB . 10091 1 640 . 1 1 52 52 GLU CG C 13 36.366 0.300 . 1 . . . . 52 GLU CG . 10091 1 641 . 1 1 52 52 GLU N N 15 119.133 0.300 . 1 . . . . 52 GLU N . 10091 1 642 . 1 1 53 53 LEU H H 1 7.123 0.030 . 1 . . . . 53 LEU H . 10091 1 643 . 1 1 53 53 LEU HA H 1 4.646 0.030 . 1 . . . . 53 LEU HA . 10091 1 644 . 1 1 53 53 LEU HB2 H 1 1.224 0.030 . 2 . . . . 53 LEU HB2 . 10091 1 645 . 1 1 53 53 LEU HB3 H 1 1.865 0.030 . 2 . . . . 53 LEU HB3 . 10091 1 646 . 1 1 53 53 LEU HG H 1 1.733 0.030 . 1 . . . . 53 LEU HG . 10091 1 647 . 1 1 53 53 LEU HD11 H 1 0.782 0.030 . 1 . . . . 53 LEU HD1 . 10091 1 648 . 1 1 53 53 LEU HD12 H 1 0.782 0.030 . 1 . . . . 53 LEU HD1 . 10091 1 649 . 1 1 53 53 LEU HD13 H 1 0.782 0.030 . 1 . . . . 53 LEU HD1 . 10091 1 650 . 1 1 53 53 LEU HD21 H 1 0.692 0.030 . 1 . . . . 53 LEU HD2 . 10091 1 651 . 1 1 53 53 LEU HD22 H 1 0.692 0.030 . 1 . . . . 53 LEU HD2 . 10091 1 652 . 1 1 53 53 LEU HD23 H 1 0.692 0.030 . 1 . . . . 53 LEU HD2 . 10091 1 653 . 1 1 53 53 LEU C C 13 176.067 0.300 . 1 . . . . 53 LEU C . 10091 1 654 . 1 1 53 53 LEU CA C 13 55.938 0.300 . 1 . . . . 53 LEU CA . 10091 1 655 . 1 1 53 53 LEU CB C 13 44.437 0.300 . 1 . . . . 53 LEU CB . 10091 1 656 . 1 1 53 53 LEU CG C 13 26.507 0.300 . 1 . . . . 53 LEU CG . 10091 1 657 . 1 1 53 53 LEU CD1 C 13 27.577 0.300 . 2 . . . . 53 LEU CD1 . 10091 1 658 . 1 1 53 53 LEU CD2 C 13 24.617 0.300 . 2 . . . . 53 LEU CD2 . 10091 1 659 . 1 1 53 53 LEU N N 15 118.443 0.300 . 1 . . . . 53 LEU N . 10091 1 660 . 1 1 54 54 LEU H H 1 8.995 0.030 . 1 . . . . 54 LEU H . 10091 1 661 . 1 1 54 54 LEU HA H 1 4.573 0.030 . 1 . . . . 54 LEU HA . 10091 1 662 . 1 1 54 54 LEU HB2 H 1 1.614 0.030 . 2 . . . . 54 LEU HB2 . 10091 1 663 . 1 1 54 54 LEU HB3 H 1 1.491 0.030 . 2 . . . . 54 LEU HB3 . 10091 1 664 . 1 1 54 54 LEU HG H 1 1.602 0.030 . 1 . . . . 54 LEU HG . 10091 1 665 . 1 1 54 54 LEU HD11 H 1 0.830 0.030 . 1 . . . . 54 LEU HD1 . 10091 1 666 . 1 1 54 54 LEU HD12 H 1 0.830 0.030 . 1 . . . . 54 LEU HD1 . 10091 1 667 . 1 1 54 54 LEU HD13 H 1 0.830 0.030 . 1 . . . . 54 LEU HD1 . 10091 1 668 . 1 1 54 54 LEU HD21 H 1 0.866 0.030 . 1 . . . . 54 LEU HD2 . 10091 1 669 . 1 1 54 54 LEU HD22 H 1 0.866 0.030 . 1 . . . . 54 LEU HD2 . 10091 1 670 . 1 1 54 54 LEU HD23 H 1 0.866 0.030 . 1 . . . . 54 LEU HD2 . 10091 1 671 . 1 1 54 54 LEU C C 13 175.509 0.300 . 1 . . . . 54 LEU C . 10091 1 672 . 1 1 54 54 LEU CA C 13 54.669 0.300 . 1 . . . . 54 LEU CA . 10091 1 673 . 1 1 54 54 LEU CB C 13 43.516 0.300 . 1 . . . . 54 LEU CB . 10091 1 674 . 1 1 54 54 LEU CG C 13 26.850 0.300 . 1 . . . . 54 LEU CG . 10091 1 675 . 1 1 54 54 LEU CD1 C 13 25.340 0.300 . 2 . . . . 54 LEU CD1 . 10091 1 676 . 1 1 54 54 LEU CD2 C 13 23.843 0.300 . 2 . . . . 54 LEU CD2 . 10091 1 677 . 1 1 54 54 LEU N N 15 124.742 0.300 . 1 . . . . 54 LEU N . 10091 1 678 . 1 1 55 55 LEU H H 1 8.955 0.030 . 1 . . . . 55 LEU H . 10091 1 679 . 1 1 55 55 LEU HA H 1 5.466 0.030 . 1 . . . . 55 LEU HA . 10091 1 680 . 1 1 55 55 LEU HB2 H 1 1.664 0.030 . 2 . . . . 55 LEU HB2 . 10091 1 681 . 1 1 55 55 LEU HB3 H 1 1.445 0.030 . 2 . . . . 55 LEU HB3 . 10091 1 682 . 1 1 55 55 LEU HG H 1 1.626 0.030 . 1 . . . . 55 LEU HG . 10091 1 683 . 1 1 55 55 LEU HD11 H 1 0.907 0.030 . 1 . . . . 55 LEU HD1 . 10091 1 684 . 1 1 55 55 LEU HD12 H 1 0.907 0.030 . 1 . . . . 55 LEU HD1 . 10091 1 685 . 1 1 55 55 LEU HD13 H 1 0.907 0.030 . 1 . . . . 55 LEU HD1 . 10091 1 686 . 1 1 55 55 LEU HD21 H 1 0.879 0.030 . 1 . . . . 55 LEU HD2 . 10091 1 687 . 1 1 55 55 LEU HD22 H 1 0.879 0.030 . 1 . . . . 55 LEU HD2 . 10091 1 688 . 1 1 55 55 LEU HD23 H 1 0.879 0.030 . 1 . . . . 55 LEU HD2 . 10091 1 689 . 1 1 55 55 LEU C C 13 174.853 0.300 . 1 . . . . 55 LEU C . 10091 1 690 . 1 1 55 55 LEU CA C 13 53.166 0.300 . 1 . . . . 55 LEU CA . 10091 1 691 . 1 1 55 55 LEU CB C 13 46.826 0.300 . 1 . . . . 55 LEU CB . 10091 1 692 . 1 1 55 55 LEU CG C 13 27.497 0.300 . 1 . . . . 55 LEU CG . 10091 1 693 . 1 1 55 55 LEU CD1 C 13 26.232 0.300 . 1 . . . . 55 LEU CD1 . 10091 1 694 . 1 1 55 55 LEU CD2 C 13 26.232 0.300 . 1 . . . . 55 LEU CD2 . 10091 1 695 . 1 1 55 55 LEU N N 15 124.262 0.300 . 1 . . . . 55 LEU N . 10091 1 696 . 1 1 56 56 SER H H 1 9.027 0.030 . 1 . . . . 56 SER H . 10091 1 697 . 1 1 56 56 SER HA H 1 5.151 0.030 . 1 . . . . 56 SER HA . 10091 1 698 . 1 1 56 56 SER HB2 H 1 3.849 0.030 . 2 . . . . 56 SER HB2 . 10091 1 699 . 1 1 56 56 SER HB3 H 1 3.658 0.030 . 2 . . . . 56 SER HB3 . 10091 1 700 . 1 1 56 56 SER C C 13 172.426 0.300 . 1 . . . . 56 SER C . 10091 1 701 . 1 1 56 56 SER CA C 13 56.714 0.300 . 1 . . . . 56 SER CA . 10091 1 702 . 1 1 56 56 SER CB C 13 66.510 0.300 . 1 . . . . 56 SER CB . 10091 1 703 . 1 1 56 56 SER N N 15 119.341 0.300 . 1 . . . . 56 SER N . 10091 1 704 . 1 1 57 57 TYR H H 1 9.350 0.030 . 1 . . . . 57 TYR H . 10091 1 705 . 1 1 57 57 TYR HA H 1 5.714 0.030 . 1 . . . . 57 TYR HA . 10091 1 706 . 1 1 57 57 TYR HB2 H 1 3.174 0.030 . 2 . . . . 57 TYR HB2 . 10091 1 707 . 1 1 57 57 TYR HB3 H 1 2.765 0.030 . 2 . . . . 57 TYR HB3 . 10091 1 708 . 1 1 57 57 TYR HD1 H 1 6.812 0.030 . 1 . . . . 57 TYR HD1 . 10091 1 709 . 1 1 57 57 TYR HD2 H 1 6.812 0.030 . 1 . . . . 57 TYR HD2 . 10091 1 710 . 1 1 57 57 TYR HE1 H 1 6.794 0.030 . 1 . . . . 57 TYR HE1 . 10091 1 711 . 1 1 57 57 TYR HE2 H 1 6.794 0.030 . 1 . . . . 57 TYR HE2 . 10091 1 712 . 1 1 57 57 TYR C C 13 171.454 0.300 . 1 . . . . 57 TYR C . 10091 1 713 . 1 1 57 57 TYR CA C 13 56.185 0.300 . 1 . . . . 57 TYR CA . 10091 1 714 . 1 1 57 57 TYR CB C 13 42.875 0.300 . 1 . . . . 57 TYR CB . 10091 1 715 . 1 1 57 57 TYR CD1 C 13 133.242 0.300 . 1 . . . . 57 TYR CD1 . 10091 1 716 . 1 1 57 57 TYR CD2 C 13 133.242 0.300 . 1 . . . . 57 TYR CD2 . 10091 1 717 . 1 1 57 57 TYR CE1 C 13 119.413 0.300 . 1 . . . . 57 TYR CE1 . 10091 1 718 . 1 1 57 57 TYR CE2 C 13 119.413 0.300 . 1 . . . . 57 TYR CE2 . 10091 1 719 . 1 1 57 57 TYR N N 15 119.017 0.300 . 1 . . . . 57 TYR N . 10091 1 720 . 1 1 58 58 GLU H H 1 8.941 0.030 . 1 . . . . 58 GLU H . 10091 1 721 . 1 1 58 58 GLU HA H 1 4.556 0.030 . 1 . . . . 58 GLU HA . 10091 1 722 . 1 1 58 58 GLU HB2 H 1 1.882 0.030 . 2 . . . . 58 GLU HB2 . 10091 1 723 . 1 1 58 58 GLU HB3 H 1 1.766 0.030 . 2 . . . . 58 GLU HB3 . 10091 1 724 . 1 1 58 58 GLU HG2 H 1 2.177 0.030 . 2 . . . . 58 GLU HG2 . 10091 1 725 . 1 1 58 58 GLU HG3 H 1 2.031 0.030 . 2 . . . . 58 GLU HG3 . 10091 1 726 . 1 1 58 58 GLU C C 13 175.654 0.300 . 1 . . . . 58 GLU C . 10091 1 727 . 1 1 58 58 GLU CA C 13 53.942 0.300 . 1 . . . . 58 GLU CA . 10091 1 728 . 1 1 58 58 GLU CB C 13 34.221 0.300 . 1 . . . . 58 GLU CB . 10091 1 729 . 1 1 58 58 GLU CG C 13 36.535 0.300 . 1 . . . . 58 GLU CG . 10091 1 730 . 1 1 58 58 GLU N N 15 120.439 0.300 . 1 . . . . 58 GLU N . 10091 1 731 . 1 1 59 59 SER H H 1 9.098 0.030 . 1 . . . . 59 SER H . 10091 1 732 . 1 1 59 59 SER HA H 1 4.646 0.030 . 1 . . . . 59 SER HA . 10091 1 733 . 1 1 59 59 SER HB2 H 1 3.999 0.030 . 2 . . . . 59 SER HB2 . 10091 1 734 . 1 1 59 59 SER HB3 H 1 3.637 0.030 . 2 . . . . 59 SER HB3 . 10091 1 735 . 1 1 59 59 SER C C 13 177.767 0.300 . 1 . . . . 59 SER C . 10091 1 736 . 1 1 59 59 SER CA C 13 56.397 0.300 . 1 . . . . 59 SER CA . 10091 1 737 . 1 1 59 59 SER CB C 13 64.091 0.300 . 1 . . . . 59 SER CB . 10091 1 738 . 1 1 59 59 SER N N 15 121.964 0.300 . 1 . . . . 59 SER N . 10091 1 739 . 1 1 60 60 SER H H 1 9.468 0.030 . 1 . . . . 60 SER H . 10091 1 740 . 1 1 60 60 SER HA H 1 4.231 0.030 . 1 . . . . 60 SER HA . 10091 1 741 . 1 1 60 60 SER HB2 H 1 3.995 0.030 . 1 . . . . 60 SER HB2 . 10091 1 742 . 1 1 60 60 SER HB3 H 1 3.995 0.030 . 1 . . . . 60 SER HB3 . 10091 1 743 . 1 1 60 60 SER C C 13 175.630 0.300 . 1 . . . . 60 SER C . 10091 1 744 . 1 1 60 60 SER CA C 13 61.133 0.300 . 1 . . . . 60 SER CA . 10091 1 745 . 1 1 60 60 SER CB C 13 62.814 0.300 . 1 . . . . 60 SER CB . 10091 1 746 . 1 1 60 60 SER N N 15 126.547 0.300 . 1 . . . . 60 SER N . 10091 1 747 . 1 1 61 61 LYS H H 1 7.970 0.030 . 1 . . . . 61 LYS H . 10091 1 748 . 1 1 61 61 LYS HA H 1 4.250 0.030 . 1 . . . . 61 LYS HA . 10091 1 749 . 1 1 61 61 LYS HB2 H 1 1.951 0.030 . 2 . . . . 61 LYS HB2 . 10091 1 750 . 1 1 61 61 LYS HB3 H 1 1.713 0.030 . 2 . . . . 61 LYS HB3 . 10091 1 751 . 1 1 61 61 LYS HG2 H 1 1.486 0.030 . 1 . . . . 61 LYS HG2 . 10091 1 752 . 1 1 61 61 LYS HG3 H 1 1.486 0.030 . 1 . . . . 61 LYS HG3 . 10091 1 753 . 1 1 61 61 LYS HD2 H 1 1.703 0.030 . 1 . . . . 61 LYS HD2 . 10091 1 754 . 1 1 61 61 LYS HD3 H 1 1.703 0.030 . 1 . . . . 61 LYS HD3 . 10091 1 755 . 1 1 61 61 LYS HE2 H 1 3.007 0.030 . 1 . . . . 61 LYS HE2 . 10091 1 756 . 1 1 61 61 LYS HE3 H 1 3.007 0.030 . 1 . . . . 61 LYS HE3 . 10091 1 757 . 1 1 61 61 LYS C C 13 176.941 0.300 . 1 . . . . 61 LYS C . 10091 1 758 . 1 1 61 61 LYS CA C 13 57.338 0.300 . 1 . . . . 61 LYS CA . 10091 1 759 . 1 1 61 61 LYS CB C 13 33.123 0.300 . 1 . . . . 61 LYS CB . 10091 1 760 . 1 1 61 61 LYS CG C 13 25.457 0.300 . 1 . . . . 61 LYS CG . 10091 1 761 . 1 1 61 61 LYS CD C 13 29.198 0.300 . 1 . . . . 61 LYS CD . 10091 1 762 . 1 1 61 61 LYS CE C 13 42.134 0.300 . 1 . . . . 61 LYS CE . 10091 1 763 . 1 1 61 61 LYS N N 15 119.190 0.300 . 1 . . . . 61 LYS N . 10091 1 764 . 1 1 62 62 MET H H 1 7.520 0.030 . 1 . . . . 62 MET H . 10091 1 765 . 1 1 62 62 MET HA H 1 4.832 0.030 . 1 . . . . 62 MET HA . 10091 1 766 . 1 1 62 62 MET HB2 H 1 2.034 0.030 . 2 . . . . 62 MET HB2 . 10091 1 767 . 1 1 62 62 MET HB3 H 1 1.857 0.030 . 2 . . . . 62 MET HB3 . 10091 1 768 . 1 1 62 62 MET HG2 H 1 2.476 0.030 . 2 . . . . 62 MET HG2 . 10091 1 769 . 1 1 62 62 MET HG3 H 1 2.413 0.030 . 2 . . . . 62 MET HG3 . 10091 1 770 . 1 1 62 62 MET HE1 H 1 2.085 0.030 . 1 . . . . 62 MET HE . 10091 1 771 . 1 1 62 62 MET HE2 H 1 2.085 0.030 . 1 . . . . 62 MET HE . 10091 1 772 . 1 1 62 62 MET HE3 H 1 2.085 0.030 . 1 . . . . 62 MET HE . 10091 1 773 . 1 1 62 62 MET C C 13 171.357 0.300 . 1 . . . . 62 MET C . 10091 1 774 . 1 1 62 62 MET CA C 13 52.734 0.300 . 1 . . . . 62 MET CA . 10091 1 775 . 1 1 62 62 MET CB C 13 33.408 0.300 . 1 . . . . 62 MET CB . 10091 1 776 . 1 1 62 62 MET CG C 13 32.200 0.300 . 1 . . . . 62 MET CG . 10091 1 777 . 1 1 62 62 MET CE C 13 17.020 0.300 . 1 . . . . 62 MET CE . 10091 1 778 . 1 1 62 62 MET N N 15 118.046 0.300 . 1 . . . . 62 MET N . 10091 1 779 . 1 1 63 63 PRO HA H 1 4.349 0.030 . 1 . . . . 63 PRO HA . 10091 1 780 . 1 1 63 63 PRO HB2 H 1 2.251 0.030 . 2 . . . . 63 PRO HB2 . 10091 1 781 . 1 1 63 63 PRO HB3 H 1 1.869 0.030 . 2 . . . . 63 PRO HB3 . 10091 1 782 . 1 1 63 63 PRO HG2 H 1 1.985 0.030 . 1 . . . . 63 PRO HG2 . 10091 1 783 . 1 1 63 63 PRO HG3 H 1 1.985 0.030 . 1 . . . . 63 PRO HG3 . 10091 1 784 . 1 1 63 63 PRO HD2 H 1 3.532 0.030 . 2 . . . . 63 PRO HD2 . 10091 1 785 . 1 1 63 63 PRO HD3 H 1 3.387 0.030 . 2 . . . . 63 PRO HD3 . 10091 1 786 . 1 1 63 63 PRO C C 13 178.239 0.300 . 1 . . . . 63 PRO C . 10091 1 787 . 1 1 63 63 PRO CA C 13 63.694 0.300 . 1 . . . . 63 PRO CA . 10091 1 788 . 1 1 63 63 PRO CB C 13 31.752 0.300 . 1 . . . . 63 PRO CB . 10091 1 789 . 1 1 63 63 PRO CG C 13 27.559 0.300 . 1 . . . . 63 PRO CG . 10091 1 790 . 1 1 63 63 PRO CD C 13 50.143 0.300 . 1 . . . . 63 PRO CD . 10091 1 791 . 1 1 64 64 GLY H H 1 9.376 0.030 . 1 . . . . 64 GLY H . 10091 1 792 . 1 1 64 64 GLY HA2 H 1 4.197 0.030 . 2 . . . . 64 GLY HA2 . 10091 1 793 . 1 1 64 64 GLY HA3 H 1 3.640 0.030 . 2 . . . . 64 GLY HA3 . 10091 1 794 . 1 1 64 64 GLY C C 13 173.567 0.300 . 1 . . . . 64 GLY C . 10091 1 795 . 1 1 64 64 GLY CA C 13 45.398 0.300 . 1 . . . . 64 GLY CA . 10091 1 796 . 1 1 64 64 GLY N N 15 111.087 0.300 . 1 . . . . 64 GLY N . 10091 1 797 . 1 1 65 65 ARG H H 1 7.332 0.030 . 1 . . . . 65 ARG H . 10091 1 798 . 1 1 65 65 ARG HA H 1 4.578 0.030 . 1 . . . . 65 ARG HA . 10091 1 799 . 1 1 65 65 ARG HB2 H 1 1.845 0.030 . 2 . . . . 65 ARG HB2 . 10091 1 800 . 1 1 65 65 ARG HB3 H 1 1.676 0.030 . 2 . . . . 65 ARG HB3 . 10091 1 801 . 1 1 65 65 ARG HG2 H 1 1.566 0.030 . 2 . . . . 65 ARG HG2 . 10091 1 802 . 1 1 65 65 ARG HG3 H 1 1.437 0.030 . 2 . . . . 65 ARG HG3 . 10091 1 803 . 1 1 65 65 ARG HD2 H 1 3.157 0.030 . 1 . . . . 65 ARG HD2 . 10091 1 804 . 1 1 65 65 ARG HD3 H 1 3.157 0.030 . 1 . . . . 65 ARG HD3 . 10091 1 805 . 1 1 65 65 ARG C C 13 174.683 0.300 . 1 . . . . 65 ARG C . 10091 1 806 . 1 1 65 65 ARG CA C 13 54.669 0.300 . 1 . . . . 65 ARG CA . 10091 1 807 . 1 1 65 65 ARG CB C 13 31.057 0.300 . 1 . . . . 65 ARG CB . 10091 1 808 . 1 1 65 65 ARG CG C 13 26.891 0.300 . 1 . . . . 65 ARG CG . 10091 1 809 . 1 1 65 65 ARG CD C 13 43.486 0.300 . 1 . . . . 65 ARG CD . 10091 1 810 . 1 1 65 65 ARG N N 15 120.075 0.300 . 1 . . . . 65 ARG N . 10091 1 811 . 1 1 66 66 GLU H H 1 8.653 0.030 . 1 . . . . 66 GLU H . 10091 1 812 . 1 1 66 66 GLU HA H 1 4.659 0.030 . 1 . . . . 66 GLU HA . 10091 1 813 . 1 1 66 66 GLU HB2 H 1 1.743 0.030 . 1 . . . . 66 GLU HB2 . 10091 1 814 . 1 1 66 66 GLU HB3 H 1 1.743 0.030 . 1 . . . . 66 GLU HB3 . 10091 1 815 . 1 1 66 66 GLU HG2 H 1 2.058 0.030 . 2 . . . . 66 GLU HG2 . 10091 1 816 . 1 1 66 66 GLU HG3 H 1 1.835 0.030 . 2 . . . . 66 GLU HG3 . 10091 1 817 . 1 1 66 66 GLU C C 13 175.922 0.300 . 1 . . . . 66 GLU C . 10091 1 818 . 1 1 66 66 GLU CA C 13 55.445 0.300 . 1 . . . . 66 GLU CA . 10091 1 819 . 1 1 66 66 GLU CB C 13 31.670 0.300 . 1 . . . . 66 GLU CB . 10091 1 820 . 1 1 66 66 GLU CG C 13 36.531 0.300 . 1 . . . . 66 GLU CG . 10091 1 821 . 1 1 66 66 GLU N N 15 125.603 0.300 . 1 . . . . 66 GLU N . 10091 1 822 . 1 1 67 67 ILE H H 1 8.870 0.030 . 1 . . . . 67 ILE H . 10091 1 823 . 1 1 67 67 ILE HA H 1 4.209 0.030 . 1 . . . . 67 ILE HA . 10091 1 824 . 1 1 67 67 ILE HB H 1 1.479 0.030 . 1 . . . . 67 ILE HB . 10091 1 825 . 1 1 67 67 ILE HG12 H 1 1.266 0.030 . 2 . . . . 67 ILE HG12 . 10091 1 826 . 1 1 67 67 ILE HG13 H 1 1.003 0.030 . 2 . . . . 67 ILE HG13 . 10091 1 827 . 1 1 67 67 ILE HG21 H 1 1.041 0.030 . 1 . . . . 67 ILE HG2 . 10091 1 828 . 1 1 67 67 ILE HG22 H 1 1.041 0.030 . 1 . . . . 67 ILE HG2 . 10091 1 829 . 1 1 67 67 ILE HG23 H 1 1.041 0.030 . 1 . . . . 67 ILE HG2 . 10091 1 830 . 1 1 67 67 ILE HD11 H 1 0.694 0.030 . 1 . . . . 67 ILE HD1 . 10091 1 831 . 1 1 67 67 ILE HD12 H 1 0.694 0.030 . 1 . . . . 67 ILE HD1 . 10091 1 832 . 1 1 67 67 ILE HD13 H 1 0.694 0.030 . 1 . . . . 67 ILE HD1 . 10091 1 833 . 1 1 67 67 ILE C C 13 175.727 0.300 . 1 . . . . 67 ILE C . 10091 1 834 . 1 1 67 67 ILE CA C 13 60.204 0.300 . 1 . . . . 67 ILE CA . 10091 1 835 . 1 1 67 67 ILE CB C 13 39.085 0.300 . 1 . . . . 67 ILE CB . 10091 1 836 . 1 1 67 67 ILE CG1 C 13 27.752 0.300 . 1 . . . . 67 ILE CG1 . 10091 1 837 . 1 1 67 67 ILE CG2 C 13 17.708 0.300 . 1 . . . . 67 ILE CG2 . 10091 1 838 . 1 1 67 67 ILE CD1 C 13 12.819 0.300 . 1 . . . . 67 ILE CD1 . 10091 1 839 . 1 1 67 67 ILE N N 15 126.141 0.300 . 1 . . . . 67 ILE N . 10091 1 840 . 1 1 68 68 GLU H H 1 8.786 0.030 . 1 . . . . 68 GLU H . 10091 1 841 . 1 1 68 68 GLU HA H 1 4.114 0.030 . 1 . . . . 68 GLU HA . 10091 1 842 . 1 1 68 68 GLU HB2 H 1 1.999 0.030 . 1 . . . . 68 GLU HB2 . 10091 1 843 . 1 1 68 68 GLU HB3 H 1 1.999 0.030 . 1 . . . . 68 GLU HB3 . 10091 1 844 . 1 1 68 68 GLU HG2 H 1 2.319 0.030 . 2 . . . . 68 GLU HG2 . 10091 1 845 . 1 1 68 68 GLU HG3 H 1 2.199 0.030 . 2 . . . . 68 GLU HG3 . 10091 1 846 . 1 1 68 68 GLU C C 13 176.261 0.300 . 1 . . . . 68 GLU C . 10091 1 847 . 1 1 68 68 GLU CA C 13 57.420 0.300 . 1 . . . . 68 GLU CA . 10091 1 848 . 1 1 68 68 GLU CB C 13 30.316 0.300 . 1 . . . . 68 GLU CB . 10091 1 849 . 1 1 68 68 GLU CG C 13 36.322 0.300 . 1 . . . . 68 GLU CG . 10091 1 850 . 1 1 68 68 GLU N N 15 126.570 0.300 . 1 . . . . 68 GLU N . 10091 1 851 . 1 1 69 69 LEU H H 1 8.446 0.030 . 1 . . . . 69 LEU H . 10091 1 852 . 1 1 69 69 LEU HA H 1 3.960 0.030 . 1 . . . . 69 LEU HA . 10091 1 853 . 1 1 69 69 LEU HB2 H 1 1.577 0.030 . 2 . . . . 69 LEU HB2 . 10091 1 854 . 1 1 69 69 LEU HB3 H 1 0.948 0.030 . 2 . . . . 69 LEU HB3 . 10091 1 855 . 1 1 69 69 LEU HG H 1 1.260 0.030 . 1 . . . . 69 LEU HG . 10091 1 856 . 1 1 69 69 LEU HD11 H 1 0.572 0.030 . 1 . . . . 69 LEU HD1 . 10091 1 857 . 1 1 69 69 LEU HD12 H 1 0.572 0.030 . 1 . . . . 69 LEU HD1 . 10091 1 858 . 1 1 69 69 LEU HD13 H 1 0.572 0.030 . 1 . . . . 69 LEU HD1 . 10091 1 859 . 1 1 69 69 LEU HD21 H 1 0.149 0.030 . 1 . . . . 69 LEU HD2 . 10091 1 860 . 1 1 69 69 LEU HD22 H 1 0.149 0.030 . 1 . . . . 69 LEU HD2 . 10091 1 861 . 1 1 69 69 LEU HD23 H 1 0.149 0.030 . 1 . . . . 69 LEU HD2 . 10091 1 862 . 1 1 69 69 LEU C C 13 176.140 0.300 . 1 . . . . 69 LEU C . 10091 1 863 . 1 1 69 69 LEU CA C 13 52.554 0.300 . 1 . . . . 69 LEU CA . 10091 1 864 . 1 1 69 69 LEU CB C 13 38.977 0.300 . 1 . . . . 69 LEU CB . 10091 1 865 . 1 1 69 69 LEU CG C 13 26.295 0.300 . 1 . . . . 69 LEU CG . 10091 1 866 . 1 1 69 69 LEU CD1 C 13 26.007 0.300 . 2 . . . . 69 LEU CD1 . 10091 1 867 . 1 1 69 69 LEU CD2 C 13 23.839 0.300 . 2 . . . . 69 LEU CD2 . 10091 1 868 . 1 1 69 69 LEU N N 15 126.542 0.300 . 1 . . . . 69 LEU N . 10091 1 869 . 1 1 70 70 GLU H H 1 7.239 0.030 . 1 . . . . 70 GLU H . 10091 1 870 . 1 1 70 70 GLU HA H 1 4.279 0.030 . 1 . . . . 70 GLU HA . 10091 1 871 . 1 1 70 70 GLU HB2 H 1 2.150 0.030 . 2 . . . . 70 GLU HB2 . 10091 1 872 . 1 1 70 70 GLU HB3 H 1 2.044 0.030 . 2 . . . . 70 GLU HB3 . 10091 1 873 . 1 1 70 70 GLU HG2 H 1 2.310 0.030 . 1 . . . . 70 GLU HG2 . 10091 1 874 . 1 1 70 70 GLU HG3 H 1 2.310 0.030 . 1 . . . . 70 GLU HG3 . 10091 1 875 . 1 1 70 70 GLU C C 13 175.436 0.300 . 1 . . . . 70 GLU C . 10091 1 876 . 1 1 70 70 GLU CA C 13 58.567 0.300 . 1 . . . . 70 GLU CA . 10091 1 877 . 1 1 70 70 GLU CB C 13 31.340 0.300 . 1 . . . . 70 GLU CB . 10091 1 878 . 1 1 70 70 GLU CG C 13 36.055 0.300 . 1 . . . . 70 GLU CG . 10091 1 879 . 1 1 70 70 GLU N N 15 118.695 0.300 . 1 . . . . 70 GLU N . 10091 1 880 . 1 1 71 71 ASN H H 1 8.025 0.030 . 1 . . . . 71 ASN H . 10091 1 881 . 1 1 71 71 ASN HA H 1 4.951 0.030 . 1 . . . . 71 ASN HA . 10091 1 882 . 1 1 71 71 ASN HB2 H 1 3.120 0.030 . 2 . . . . 71 ASN HB2 . 10091 1 883 . 1 1 71 71 ASN HB3 H 1 2.696 0.030 . 2 . . . . 71 ASN HB3 . 10091 1 884 . 1 1 71 71 ASN HD21 H 1 7.639 0.030 . 2 . . . . 71 ASN HD21 . 10091 1 885 . 1 1 71 71 ASN HD22 H 1 7.021 0.030 . 2 . . . . 71 ASN HD22 . 10091 1 886 . 1 1 71 71 ASN C C 13 175.557 0.300 . 1 . . . . 71 ASN C . 10091 1 887 . 1 1 71 71 ASN CA C 13 51.508 0.300 . 1 . . . . 71 ASN CA . 10091 1 888 . 1 1 71 71 ASN CB C 13 39.046 0.300 . 1 . . . . 71 ASN CB . 10091 1 889 . 1 1 71 71 ASN N N 15 117.818 0.300 . 1 . . . . 71 ASN N . 10091 1 890 . 1 1 71 71 ASN ND2 N 15 112.021 0.300 . 1 . . . . 71 ASN ND2 . 10091 1 891 . 1 1 72 72 ASP H H 1 8.720 0.030 . 1 . . . . 72 ASP H . 10091 1 892 . 1 1 72 72 ASP HA H 1 4.374 0.030 . 1 . . . . 72 ASP HA . 10091 1 893 . 1 1 72 72 ASP HB2 H 1 2.560 0.030 . 1 . . . . 72 ASP HB2 . 10091 1 894 . 1 1 72 72 ASP HB3 H 1 2.560 0.030 . 1 . . . . 72 ASP HB3 . 10091 1 895 . 1 1 72 72 ASP C C 13 176.598 0.300 . 1 . . . . 72 ASP C . 10091 1 896 . 1 1 72 72 ASP CA C 13 56.820 0.300 . 1 . . . . 72 ASP CA . 10091 1 897 . 1 1 72 72 ASP CB C 13 41.498 0.300 . 1 . . . . 72 ASP CB . 10091 1 898 . 1 1 72 72 ASP N N 15 125.061 0.300 . 1 . . . . 72 ASP N . 10091 1 899 . 1 1 73 73 LEU H H 1 8.034 0.030 . 1 . . . . 73 LEU H . 10091 1 900 . 1 1 73 73 LEU HA H 1 4.365 0.030 . 1 . . . . 73 LEU HA . 10091 1 901 . 1 1 73 73 LEU HB2 H 1 1.667 0.030 . 1 . . . . 73 LEU HB2 . 10091 1 902 . 1 1 73 73 LEU HB3 H 1 1.667 0.030 . 1 . . . . 73 LEU HB3 . 10091 1 903 . 1 1 73 73 LEU HG H 1 1.689 0.030 . 1 . . . . 73 LEU HG . 10091 1 904 . 1 1 73 73 LEU HD11 H 1 0.932 0.030 . 1 . . . . 73 LEU HD1 . 10091 1 905 . 1 1 73 73 LEU HD12 H 1 0.932 0.030 . 1 . . . . 73 LEU HD1 . 10091 1 906 . 1 1 73 73 LEU HD13 H 1 0.932 0.030 . 1 . . . . 73 LEU HD1 . 10091 1 907 . 1 1 73 73 LEU HD21 H 1 0.823 0.030 . 1 . . . . 73 LEU HD2 . 10091 1 908 . 1 1 73 73 LEU HD22 H 1 0.823 0.030 . 1 . . . . 73 LEU HD2 . 10091 1 909 . 1 1 73 73 LEU HD23 H 1 0.823 0.030 . 1 . . . . 73 LEU HD2 . 10091 1 910 . 1 1 73 73 LEU C C 13 177.767 0.300 . 1 . . . . 73 LEU C . 10091 1 911 . 1 1 73 73 LEU CA C 13 54.631 0.300 . 1 . . . . 73 LEU CA . 10091 1 912 . 1 1 73 73 LEU CB C 13 41.474 0.300 . 1 . . . . 73 LEU CB . 10091 1 913 . 1 1 73 73 LEU CG C 13 27.184 0.300 . 1 . . . . 73 LEU CG . 10091 1 914 . 1 1 73 73 LEU CD1 C 13 25.107 0.300 . 2 . . . . 73 LEU CD1 . 10091 1 915 . 1 1 73 73 LEU CD2 C 13 22.335 0.300 . 2 . . . . 73 LEU CD2 . 10091 1 916 . 1 1 73 73 LEU N N 15 114.554 0.300 . 1 . . . . 73 LEU N . 10091 1 917 . 1 1 74 74 GLN H H 1 7.324 0.030 . 1 . . . . 74 GLN H . 10091 1 918 . 1 1 74 74 GLN HA H 1 4.914 0.030 . 1 . . . . 74 GLN HA . 10091 1 919 . 1 1 74 74 GLN HB2 H 1 1.888 0.030 . 2 . . . . 74 GLN HB2 . 10091 1 920 . 1 1 74 74 GLN HB3 H 1 1.791 0.030 . 2 . . . . 74 GLN HB3 . 10091 1 921 . 1 1 74 74 GLN HG2 H 1 1.844 0.030 . 2 . . . . 74 GLN HG2 . 10091 1 922 . 1 1 74 74 GLN HG3 H 1 1.580 0.030 . 2 . . . . 74 GLN HG3 . 10091 1 923 . 1 1 74 74 GLN HE21 H 1 5.982 0.030 . 2 . . . . 74 GLN HE21 . 10091 1 924 . 1 1 74 74 GLN HE22 H 1 5.930 0.030 . 2 . . . . 74 GLN HE22 . 10091 1 925 . 1 1 74 74 GLN C C 13 174.489 0.300 . 1 . . . . 74 GLN C . 10091 1 926 . 1 1 74 74 GLN CA C 13 52.774 0.300 . 1 . . . . 74 GLN CA . 10091 1 927 . 1 1 74 74 GLN CB C 13 29.016 0.300 . 1 . . . . 74 GLN CB . 10091 1 928 . 1 1 74 74 GLN CG C 13 30.557 0.300 . 1 . . . . 74 GLN CG . 10091 1 929 . 1 1 74 74 GLN N N 15 117.539 0.300 . 1 . . . . 74 GLN N . 10091 1 930 . 1 1 74 74 GLN NE2 N 15 108.376 0.300 . 1 . . . . 74 GLN NE2 . 10091 1 931 . 1 1 75 75 PRO HA H 1 4.965 0.030 . 1 . . . . 75 PRO HA . 10091 1 932 . 1 1 75 75 PRO HB2 H 1 2.299 0.030 . 2 . . . . 75 PRO HB2 . 10091 1 933 . 1 1 75 75 PRO HB3 H 1 2.190 0.030 . 2 . . . . 75 PRO HB3 . 10091 1 934 . 1 1 75 75 PRO HG2 H 1 2.155 0.030 . 2 . . . . 75 PRO HG2 . 10091 1 935 . 1 1 75 75 PRO HG3 H 1 2.003 0.030 . 2 . . . . 75 PRO HG3 . 10091 1 936 . 1 1 75 75 PRO HD2 H 1 4.109 0.030 . 2 . . . . 75 PRO HD2 . 10091 1 937 . 1 1 75 75 PRO HD3 H 1 3.753 0.030 . 2 . . . . 75 PRO HD3 . 10091 1 938 . 1 1 75 75 PRO C C 13 177.912 0.300 . 1 . . . . 75 PRO C . 10091 1 939 . 1 1 75 75 PRO CA C 13 61.085 0.300 . 1 . . . . 75 PRO CA . 10091 1 940 . 1 1 75 75 PRO CB C 13 32.576 0.300 . 1 . . . . 75 PRO CB . 10091 1 941 . 1 1 75 75 PRO CG C 13 27.352 0.300 . 1 . . . . 75 PRO CG . 10091 1 942 . 1 1 75 75 PRO CD C 13 50.362 0.300 . 1 . . . . 75 PRO CD . 10091 1 943 . 1 1 76 76 LEU H H 1 8.075 0.030 . 1 . . . . 76 LEU H . 10091 1 944 . 1 1 76 76 LEU HA H 1 4.023 0.030 . 1 . . . . 76 LEU HA . 10091 1 945 . 1 1 76 76 LEU HB2 H 1 1.915 0.030 . 2 . . . . 76 LEU HB2 . 10091 1 946 . 1 1 76 76 LEU HB3 H 1 1.094 0.030 . 2 . . . . 76 LEU HB3 . 10091 1 947 . 1 1 76 76 LEU HG H 1 1.968 0.030 . 1 . . . . 76 LEU HG . 10091 1 948 . 1 1 76 76 LEU HD11 H 1 0.677 0.030 . 1 . . . . 76 LEU HD1 . 10091 1 949 . 1 1 76 76 LEU HD12 H 1 0.677 0.030 . 1 . . . . 76 LEU HD1 . 10091 1 950 . 1 1 76 76 LEU HD13 H 1 0.677 0.030 . 1 . . . . 76 LEU HD1 . 10091 1 951 . 1 1 76 76 LEU HD21 H 1 0.761 0.030 . 1 . . . . 76 LEU HD2 . 10091 1 952 . 1 1 76 76 LEU HD22 H 1 0.761 0.030 . 1 . . . . 76 LEU HD2 . 10091 1 953 . 1 1 76 76 LEU HD23 H 1 0.761 0.030 . 1 . . . . 76 LEU HD2 . 10091 1 954 . 1 1 76 76 LEU C C 13 179.771 0.300 . 1 . . . . 76 LEU C . 10091 1 955 . 1 1 76 76 LEU CA C 13 58.759 0.300 . 1 . . . . 76 LEU CA . 10091 1 956 . 1 1 76 76 LEU CB C 13 41.610 0.300 . 1 . . . . 76 LEU CB . 10091 1 957 . 1 1 76 76 LEU CG C 13 26.228 0.300 . 1 . . . . 76 LEU CG . 10091 1 958 . 1 1 76 76 LEU CD1 C 13 22.183 0.300 . 2 . . . . 76 LEU CD1 . 10091 1 959 . 1 1 76 76 LEU CD2 C 13 25.906 0.300 . 2 . . . . 76 LEU CD2 . 10091 1 960 . 1 1 76 76 LEU N N 15 120.190 0.300 . 1 . . . . 76 LEU N . 10091 1 961 . 1 1 77 77 GLN H H 1 8.543 0.030 . 1 . . . . 77 GLN H . 10091 1 962 . 1 1 77 77 GLN HA H 1 4.402 0.030 . 1 . . . . 77 GLN HA . 10091 1 963 . 1 1 77 77 GLN HB2 H 1 1.986 0.030 . 2 . . . . 77 GLN HB2 . 10091 1 964 . 1 1 77 77 GLN HB3 H 1 1.898 0.030 . 2 . . . . 77 GLN HB3 . 10091 1 965 . 1 1 77 77 GLN HG2 H 1 2.383 0.030 . 2 . . . . 77 GLN HG2 . 10091 1 966 . 1 1 77 77 GLN HG3 H 1 2.321 0.030 . 2 . . . . 77 GLN HG3 . 10091 1 967 . 1 1 77 77 GLN HE21 H 1 7.438 0.030 . 2 . . . . 77 GLN HE21 . 10091 1 968 . 1 1 77 77 GLN HE22 H 1 6.724 0.030 . 2 . . . . 77 GLN HE22 . 10091 1 969 . 1 1 77 77 GLN C C 13 178.616 0.300 . 1 . . . . 77 GLN C . 10091 1 970 . 1 1 77 77 GLN CA C 13 58.159 0.300 . 1 . . . . 77 GLN CA . 10091 1 971 . 1 1 77 77 GLN CB C 13 28.786 0.300 . 1 . . . . 77 GLN CB . 10091 1 972 . 1 1 77 77 GLN CG C 13 33.309 0.300 . 1 . . . . 77 GLN CG . 10091 1 973 . 1 1 77 77 GLN N N 15 114.352 0.300 . 1 . . . . 77 GLN N . 10091 1 974 . 1 1 77 77 GLN NE2 N 15 111.032 0.300 . 1 . . . . 77 GLN NE2 . 10091 1 975 . 1 1 78 78 PHE H H 1 7.891 0.030 . 1 . . . . 78 PHE H . 10091 1 976 . 1 1 78 78 PHE HA H 1 4.082 0.030 . 1 . . . . 78 PHE HA . 10091 1 977 . 1 1 78 78 PHE HB2 H 1 3.101 0.030 . 2 . . . . 78 PHE HB2 . 10091 1 978 . 1 1 78 78 PHE HB3 H 1 2.952 0.030 . 2 . . . . 78 PHE HB3 . 10091 1 979 . 1 1 78 78 PHE HD1 H 1 6.239 0.030 . 1 . . . . 78 PHE HD1 . 10091 1 980 . 1 1 78 78 PHE HD2 H 1 6.239 0.030 . 1 . . . . 78 PHE HD2 . 10091 1 981 . 1 1 78 78 PHE HE1 H 1 7.085 0.030 . 1 . . . . 78 PHE HE1 . 10091 1 982 . 1 1 78 78 PHE HE2 H 1 7.085 0.030 . 1 . . . . 78 PHE HE2 . 10091 1 983 . 1 1 78 78 PHE HZ H 1 7.161 0.030 . 1 . . . . 78 PHE HZ . 10091 1 984 . 1 1 78 78 PHE C C 13 176.347 0.300 . 1 . . . . 78 PHE C . 10091 1 985 . 1 1 78 78 PHE CA C 13 60.556 0.300 . 1 . . . . 78 PHE CA . 10091 1 986 . 1 1 78 78 PHE CB C 13 39.662 0.300 . 1 . . . . 78 PHE CB . 10091 1 987 . 1 1 78 78 PHE CD1 C 13 131.717 0.300 . 1 . . . . 78 PHE CD1 . 10091 1 988 . 1 1 78 78 PHE CD2 C 13 131.717 0.300 . 1 . . . . 78 PHE CD2 . 10091 1 989 . 1 1 78 78 PHE CE1 C 13 131.347 0.300 . 1 . . . . 78 PHE CE1 . 10091 1 990 . 1 1 78 78 PHE CE2 C 13 131.347 0.300 . 1 . . . . 78 PHE CE2 . 10091 1 991 . 1 1 78 78 PHE CZ C 13 129.764 0.300 . 1 . . . . 78 PHE CZ . 10091 1 992 . 1 1 78 78 PHE N N 15 121.040 0.300 . 1 . . . . 78 PHE N . 10091 1 993 . 1 1 79 79 TYR H H 1 7.458 0.030 . 1 . . . . 79 TYR H . 10091 1 994 . 1 1 79 79 TYR HA H 1 4.281 0.030 . 1 . . . . 79 TYR HA . 10091 1 995 . 1 1 79 79 TYR HB2 H 1 3.336 0.030 . 2 . . . . 79 TYR HB2 . 10091 1 996 . 1 1 79 79 TYR HB3 H 1 2.587 0.030 . 2 . . . . 79 TYR HB3 . 10091 1 997 . 1 1 79 79 TYR HD1 H 1 7.234 0.030 . 1 . . . . 79 TYR HD1 . 10091 1 998 . 1 1 79 79 TYR HD2 H 1 7.234 0.030 . 1 . . . . 79 TYR HD2 . 10091 1 999 . 1 1 79 79 TYR HE1 H 1 7.092 0.030 . 1 . . . . 79 TYR HE1 . 10091 1 1000 . 1 1 79 79 TYR HE2 H 1 7.092 0.030 . 1 . . . . 79 TYR HE2 . 10091 1 1001 . 1 1 79 79 TYR C C 13 174.808 0.300 . 1 . . . . 79 TYR C . 10091 1 1002 . 1 1 79 79 TYR CA C 13 58.582 0.300 . 1 . . . . 79 TYR CA . 10091 1 1003 . 1 1 79 79 TYR CB C 13 39.539 0.300 . 1 . . . . 79 TYR CB . 10091 1 1004 . 1 1 79 79 TYR CD1 C 13 133.980 0.300 . 1 . . . . 79 TYR CD1 . 10091 1 1005 . 1 1 79 79 TYR CD2 C 13 133.980 0.300 . 1 . . . . 79 TYR CD2 . 10091 1 1006 . 1 1 79 79 TYR CE1 C 13 118.946 0.300 . 1 . . . . 79 TYR CE1 . 10091 1 1007 . 1 1 79 79 TYR CE2 C 13 118.946 0.300 . 1 . . . . 79 TYR CE2 . 10091 1 1008 . 1 1 79 79 TYR N N 15 115.040 0.300 . 1 . . . . 79 TYR N . 10091 1 1009 . 1 1 80 80 SER H H 1 7.905 0.030 . 1 . . . . 80 SER H . 10091 1 1010 . 1 1 80 80 SER HA H 1 4.073 0.030 . 1 . . . . 80 SER HA . 10091 1 1011 . 1 1 80 80 SER HB2 H 1 4.145 0.030 . 2 . . . . 80 SER HB2 . 10091 1 1012 . 1 1 80 80 SER HB3 H 1 4.077 0.030 . 2 . . . . 80 SER HB3 . 10091 1 1013 . 1 1 80 80 SER C C 13 172.814 0.300 . 1 . . . . 80 SER C . 10091 1 1014 . 1 1 80 80 SER CA C 13 58.688 0.300 . 1 . . . . 80 SER CA . 10091 1 1015 . 1 1 80 80 SER CB C 13 60.859 0.300 . 1 . . . . 80 SER CB . 10091 1 1016 . 1 1 80 80 SER N N 15 111.203 0.300 . 1 . . . . 80 SER N . 10091 1 1017 . 1 1 81 81 VAL H H 1 6.265 0.030 . 1 . . . . 81 VAL H . 10091 1 1018 . 1 1 81 81 VAL HA H 1 3.420 0.030 . 1 . . . . 81 VAL HA . 10091 1 1019 . 1 1 81 81 VAL HB H 1 1.251 0.030 . 1 . . . . 81 VAL HB . 10091 1 1020 . 1 1 81 81 VAL HG11 H 1 0.674 0.030 . 1 . . . . 81 VAL HG1 . 10091 1 1021 . 1 1 81 81 VAL HG12 H 1 0.674 0.030 . 1 . . . . 81 VAL HG1 . 10091 1 1022 . 1 1 81 81 VAL HG13 H 1 0.674 0.030 . 1 . . . . 81 VAL HG1 . 10091 1 1023 . 1 1 81 81 VAL HG21 H 1 0.118 0.030 . 1 . . . . 81 VAL HG2 . 10091 1 1024 . 1 1 81 81 VAL HG22 H 1 0.118 0.030 . 1 . . . . 81 VAL HG2 . 10091 1 1025 . 1 1 81 81 VAL HG23 H 1 0.118 0.030 . 1 . . . . 81 VAL HG2 . 10091 1 1026 . 1 1 81 81 VAL C C 13 174.319 0.300 . 1 . . . . 81 VAL C . 10091 1 1027 . 1 1 81 81 VAL CA C 13 63.029 0.300 . 1 . . . . 81 VAL CA . 10091 1 1028 . 1 1 81 81 VAL CB C 13 31.505 0.300 . 1 . . . . 81 VAL CB . 10091 1 1029 . 1 1 81 81 VAL CG1 C 13 22.795 0.300 . 2 . . . . 81 VAL CG1 . 10091 1 1030 . 1 1 81 81 VAL CG2 C 13 20.906 0.300 . 2 . . . . 81 VAL CG2 . 10091 1 1031 . 1 1 81 81 VAL N N 15 118.105 0.300 . 1 . . . . 81 VAL N . 10091 1 1032 . 1 1 82 82 GLU H H 1 8.966 0.030 . 1 . . . . 82 GLU H . 10091 1 1033 . 1 1 82 82 GLU HA H 1 4.637 0.030 . 1 . . . . 82 GLU HA . 10091 1 1034 . 1 1 82 82 GLU HB2 H 1 2.062 0.030 . 2 . . . . 82 GLU HB2 . 10091 1 1035 . 1 1 82 82 GLU HB3 H 1 1.940 0.030 . 2 . . . . 82 GLU HB3 . 10091 1 1036 . 1 1 82 82 GLU HG2 H 1 2.504 0.030 . 2 . . . . 82 GLU HG2 . 10091 1 1037 . 1 1 82 82 GLU HG3 H 1 2.167 0.030 . 2 . . . . 82 GLU HG3 . 10091 1 1038 . 1 1 82 82 GLU C C 13 175.346 0.300 . 1 . . . . 82 GLU C . 10091 1 1039 . 1 1 82 82 GLU CA C 13 54.563 0.300 . 1 . . . . 82 GLU CA . 10091 1 1040 . 1 1 82 82 GLU CB C 13 33.867 0.300 . 1 . . . . 82 GLU CB . 10091 1 1041 . 1 1 82 82 GLU CG C 13 36.887 0.300 . 1 . . . . 82 GLU CG . 10091 1 1042 . 1 1 82 82 GLU N N 15 125.693 0.300 . 1 . . . . 82 GLU N . 10091 1 1043 . 1 1 83 83 ASN H H 1 8.627 0.030 . 1 . . . . 83 ASN H . 10091 1 1044 . 1 1 83 83 ASN HA H 1 4.300 0.030 . 1 . . . . 83 ASN HA . 10091 1 1045 . 1 1 83 83 ASN HB2 H 1 2.769 0.030 . 1 . . . . 83 ASN HB2 . 10091 1 1046 . 1 1 83 83 ASN HB3 H 1 2.769 0.030 . 1 . . . . 83 ASN HB3 . 10091 1 1047 . 1 1 83 83 ASN HD21 H 1 7.705 0.030 . 2 . . . . 83 ASN HD21 . 10091 1 1048 . 1 1 83 83 ASN HD22 H 1 7.186 0.030 . 2 . . . . 83 ASN HD22 . 10091 1 1049 . 1 1 83 83 ASN C C 13 176.820 0.300 . 1 . . . . 83 ASN C . 10091 1 1050 . 1 1 83 83 ASN CA C 13 55.663 0.300 . 1 . . . . 83 ASN CA . 10091 1 1051 . 1 1 83 83 ASN CB C 13 39.290 0.300 . 1 . . . . 83 ASN CB . 10091 1 1052 . 1 1 83 83 ASN N N 15 117.205 0.300 . 1 . . . . 83 ASN N . 10091 1 1053 . 1 1 83 83 ASN ND2 N 15 114.224 0.300 . 1 . . . . 83 ASN ND2 . 10091 1 1054 . 1 1 84 84 GLY H H 1 9.158 0.030 . 1 . . . . 84 GLY H . 10091 1 1055 . 1 1 84 84 GLY HA2 H 1 4.373 0.030 . 2 . . . . 84 GLY HA2 . 10091 1 1056 . 1 1 84 84 GLY HA3 H 1 3.759 0.030 . 2 . . . . 84 GLY HA3 . 10091 1 1057 . 1 1 84 84 GLY C C 13 174.441 0.300 . 1 . . . . 84 GLY C . 10091 1 1058 . 1 1 84 84 GLY CA C 13 45.116 0.300 . 1 . . . . 84 GLY CA . 10091 1 1059 . 1 1 84 84 GLY N N 15 113.956 0.300 . 1 . . . . 84 GLY N . 10091 1 1060 . 1 1 85 85 ASP H H 1 7.922 0.030 . 1 . . . . 85 ASP H . 10091 1 1061 . 1 1 85 85 ASP HA H 1 4.912 0.030 . 1 . . . . 85 ASP HA . 10091 1 1062 . 1 1 85 85 ASP HB2 H 1 3.052 0.030 . 2 . . . . 85 ASP HB2 . 10091 1 1063 . 1 1 85 85 ASP HB3 H 1 2.975 0.030 . 2 . . . . 85 ASP HB3 . 10091 1 1064 . 1 1 85 85 ASP C C 13 172.756 0.300 . 1 . . . . 85 ASP C . 10091 1 1065 . 1 1 85 85 ASP CA C 13 55.336 0.300 . 1 . . . . 85 ASP CA . 10091 1 1066 . 1 1 85 85 ASP CB C 13 41.392 0.300 . 1 . . . . 85 ASP CB . 10091 1 1067 . 1 1 85 85 ASP N N 15 121.428 0.300 . 1 . . . . 85 ASP N . 10091 1 1068 . 1 1 86 86 CYS H H 1 8.002 0.030 . 1 . . . . 86 CYS H . 10091 1 1069 . 1 1 86 86 CYS HA H 1 5.369 0.030 . 1 . . . . 86 CYS HA . 10091 1 1070 . 1 1 86 86 CYS HB2 H 1 2.959 0.030 . 2 . . . . 86 CYS HB2 . 10091 1 1071 . 1 1 86 86 CYS HB3 H 1 2.778 0.030 . 2 . . . . 86 CYS HB3 . 10091 1 1072 . 1 1 86 86 CYS C C 13 174.794 0.300 . 1 . . . . 86 CYS C . 10091 1 1073 . 1 1 86 86 CYS CA C 13 56.432 0.300 . 1 . . . . 86 CYS CA . 10091 1 1074 . 1 1 86 86 CYS CB C 13 29.627 0.300 . 1 . . . . 86 CYS CB . 10091 1 1075 . 1 1 86 86 CYS N N 15 115.594 0.300 . 1 . . . . 86 CYS N . 10091 1 1076 . 1 1 87 87 LEU H H 1 9.652 0.030 . 1 . . . . 87 LEU H . 10091 1 1077 . 1 1 87 87 LEU HA H 1 4.925 0.030 . 1 . . . . 87 LEU HA . 10091 1 1078 . 1 1 87 87 LEU HB2 H 1 1.865 0.030 . 2 . . . . 87 LEU HB2 . 10091 1 1079 . 1 1 87 87 LEU HB3 H 1 1.401 0.030 . 2 . . . . 87 LEU HB3 . 10091 1 1080 . 1 1 87 87 LEU HG H 1 1.743 0.030 . 1 . . . . 87 LEU HG . 10091 1 1081 . 1 1 87 87 LEU HD11 H 1 0.762 0.030 . 1 . . . . 87 LEU HD1 . 10091 1 1082 . 1 1 87 87 LEU HD12 H 1 0.762 0.030 . 1 . . . . 87 LEU HD1 . 10091 1 1083 . 1 1 87 87 LEU HD13 H 1 0.762 0.030 . 1 . . . . 87 LEU HD1 . 10091 1 1084 . 1 1 87 87 LEU HD21 H 1 0.784 0.030 . 1 . . . . 87 LEU HD2 . 10091 1 1085 . 1 1 87 87 LEU HD22 H 1 0.784 0.030 . 1 . . . . 87 LEU HD2 . 10091 1 1086 . 1 1 87 87 LEU HD23 H 1 0.784 0.030 . 1 . . . . 87 LEU HD2 . 10091 1 1087 . 1 1 87 87 LEU C C 13 174.465 0.300 . 1 . . . . 87 LEU C . 10091 1 1088 . 1 1 87 87 LEU CA C 13 54.244 0.300 . 1 . . . . 87 LEU CA . 10091 1 1089 . 1 1 87 87 LEU CB C 13 42.990 0.300 . 1 . . . . 87 LEU CB . 10091 1 1090 . 1 1 87 87 LEU CG C 13 27.015 0.300 . 1 . . . . 87 LEU CG . 10091 1 1091 . 1 1 87 87 LEU CD1 C 13 25.655 0.300 . 2 . . . . 87 LEU CD1 . 10091 1 1092 . 1 1 87 87 LEU CD2 C 13 23.348 0.300 . 2 . . . . 87 LEU CD2 . 10091 1 1093 . 1 1 87 87 LEU N N 15 127.686 0.300 . 1 . . . . 87 LEU N . 10091 1 1094 . 1 1 88 88 LEU H H 1 9.111 0.030 . 1 . . . . 88 LEU H . 10091 1 1095 . 1 1 88 88 LEU HA H 1 5.136 0.030 . 1 . . . . 88 LEU HA . 10091 1 1096 . 1 1 88 88 LEU HB2 H 1 1.786 0.030 . 2 . . . . 88 LEU HB2 . 10091 1 1097 . 1 1 88 88 LEU HB3 H 1 1.206 0.030 . 2 . . . . 88 LEU HB3 . 10091 1 1098 . 1 1 88 88 LEU HG H 1 1.517 0.030 . 1 . . . . 88 LEU HG . 10091 1 1099 . 1 1 88 88 LEU HD11 H 1 0.711 0.030 . 1 . . . . 88 LEU HD1 . 10091 1 1100 . 1 1 88 88 LEU HD12 H 1 0.711 0.030 . 1 . . . . 88 LEU HD1 . 10091 1 1101 . 1 1 88 88 LEU HD13 H 1 0.711 0.030 . 1 . . . . 88 LEU HD1 . 10091 1 1102 . 1 1 88 88 LEU HD21 H 1 0.756 0.030 . 1 . . . . 88 LEU HD2 . 10091 1 1103 . 1 1 88 88 LEU HD22 H 1 0.756 0.030 . 1 . . . . 88 LEU HD2 . 10091 1 1104 . 1 1 88 88 LEU HD23 H 1 0.756 0.030 . 1 . . . . 88 LEU HD2 . 10091 1 1105 . 1 1 88 88 LEU C C 13 175.922 0.300 . 1 . . . . 88 LEU C . 10091 1 1106 . 1 1 88 88 LEU CA C 13 53.788 0.300 . 1 . . . . 88 LEU CA . 10091 1 1107 . 1 1 88 88 LEU CB C 13 41.740 0.300 . 1 . . . . 88 LEU CB . 10091 1 1108 . 1 1 88 88 LEU CG C 13 27.615 0.300 . 1 . . . . 88 LEU CG . 10091 1 1109 . 1 1 88 88 LEU CD1 C 13 25.363 0.300 . 2 . . . . 88 LEU CD1 . 10091 1 1110 . 1 1 88 88 LEU CD2 C 13 25.032 0.300 . 2 . . . . 88 LEU CD2 . 10091 1 1111 . 1 1 88 88 LEU N N 15 125.753 0.300 . 1 . . . . 88 LEU N . 10091 1 1112 . 1 1 89 89 VAL H H 1 8.805 0.030 . 1 . . . . 89 VAL H . 10091 1 1113 . 1 1 89 89 VAL HA H 1 4.780 0.030 . 1 . . . . 89 VAL HA . 10091 1 1114 . 1 1 89 89 VAL HB H 1 2.139 0.030 . 1 . . . . 89 VAL HB . 10091 1 1115 . 1 1 89 89 VAL HG11 H 1 1.020 0.030 . 1 . . . . 89 VAL HG1 . 10091 1 1116 . 1 1 89 89 VAL HG12 H 1 1.020 0.030 . 1 . . . . 89 VAL HG1 . 10091 1 1117 . 1 1 89 89 VAL HG13 H 1 1.020 0.030 . 1 . . . . 89 VAL HG1 . 10091 1 1118 . 1 1 89 89 VAL HG21 H 1 0.871 0.030 . 1 . . . . 89 VAL HG2 . 10091 1 1119 . 1 1 89 89 VAL HG22 H 1 0.871 0.030 . 1 . . . . 89 VAL HG2 . 10091 1 1120 . 1 1 89 89 VAL HG23 H 1 0.871 0.030 . 1 . . . . 89 VAL HG2 . 10091 1 1121 . 1 1 89 89 VAL C C 13 175.048 0.300 . 1 . . . . 89 VAL C . 10091 1 1122 . 1 1 89 89 VAL CA C 13 60.803 0.300 . 1 . . . . 89 VAL CA . 10091 1 1123 . 1 1 89 89 VAL CB C 13 33.977 0.300 . 1 . . . . 89 VAL CB . 10091 1 1124 . 1 1 89 89 VAL CG1 C 13 22.473 0.300 . 2 . . . . 89 VAL CG1 . 10091 1 1125 . 1 1 89 89 VAL CG2 C 13 22.444 0.300 . 2 . . . . 89 VAL CG2 . 10091 1 1126 . 1 1 89 89 VAL N N 15 122.198 0.300 . 1 . . . . 89 VAL N . 10091 1 1127 . 1 1 90 90 ARG H H 1 8.880 0.030 . 1 . . . . 90 ARG H . 10091 1 1128 . 1 1 90 90 ARG HA H 1 4.600 0.030 . 1 . . . . 90 ARG HA . 10091 1 1129 . 1 1 90 90 ARG HB2 H 1 1.725 0.030 . 2 . . . . 90 ARG HB2 . 10091 1 1130 . 1 1 90 90 ARG HB3 H 1 1.635 0.030 . 2 . . . . 90 ARG HB3 . 10091 1 1131 . 1 1 90 90 ARG HG2 H 1 1.498 0.030 . 2 . . . . 90 ARG HG2 . 10091 1 1132 . 1 1 90 90 ARG HG3 H 1 1.449 0.030 . 2 . . . . 90 ARG HG3 . 10091 1 1133 . 1 1 90 90 ARG HD2 H 1 3.053 0.030 . 2 . . . . 90 ARG HD2 . 10091 1 1134 . 1 1 90 90 ARG HD3 H 1 2.954 0.030 . 2 . . . . 90 ARG HD3 . 10091 1 1135 . 1 1 90 90 ARG C C 13 173.735 0.300 . 1 . . . . 90 ARG C . 10091 1 1136 . 1 1 90 90 ARG CA C 13 54.704 0.300 . 1 . . . . 90 ARG CA . 10091 1 1137 . 1 1 90 90 ARG CB C 13 34.224 0.300 . 1 . . . . 90 ARG CB . 10091 1 1138 . 1 1 90 90 ARG CG C 13 28.727 0.300 . 1 . . . . 90 ARG CG . 10091 1 1139 . 1 1 90 90 ARG CD C 13 43.535 0.300 . 1 . . . . 90 ARG CD . 10091 1 1140 . 1 1 90 90 ARG N N 15 126.649 0.300 . 1 . . . . 90 ARG N . 10091 1 1141 . 1 1 91 91 TRP H H 1 7.880 0.030 . 1 . . . . 91 TRP H . 10091 1 1142 . 1 1 91 91 TRP HA H 1 5.363 0.030 . 1 . . . . 91 TRP HA . 10091 1 1143 . 1 1 91 91 TRP HB2 H 1 3.460 0.030 . 2 . . . . 91 TRP HB2 . 10091 1 1144 . 1 1 91 91 TRP HB3 H 1 3.113 0.030 . 2 . . . . 91 TRP HB3 . 10091 1 1145 . 1 1 91 91 TRP HD1 H 1 7.175 0.030 . 1 . . . . 91 TRP HD1 . 10091 1 1146 . 1 1 91 91 TRP HE1 H 1 10.295 0.030 . 1 . . . . 91 TRP HE1 . 10091 1 1147 . 1 1 91 91 TRP HE3 H 1 7.200 0.030 . 1 . . . . 91 TRP HE3 . 10091 1 1148 . 1 1 91 91 TRP HZ2 H 1 7.406 0.030 . 1 . . . . 91 TRP HZ2 . 10091 1 1149 . 1 1 91 91 TRP HH2 H 1 7.084 0.030 . 1 . . . . 91 TRP HH2 . 10091 1 1150 . 1 1 91 91 TRP C C 13 175.703 0.300 . 1 . . . . 91 TRP C . 10091 1 1151 . 1 1 91 91 TRP CA C 13 56.583 0.300 . 1 . . . . 91 TRP CA . 10091 1 1152 . 1 1 91 91 TRP CB C 13 30.740 0.300 . 1 . . . . 91 TRP CB . 10091 1 1153 . 1 1 91 91 TRP CD1 C 13 128.000 0.300 . 1 . . . . 91 TRP CD1 . 10091 1 1154 . 1 1 91 91 TRP CE3 C 13 120.493 0.300 . 1 . . . . 91 TRP CE3 . 10091 1 1155 . 1 1 91 91 TRP CZ2 C 13 114.774 0.300 . 1 . . . . 91 TRP CZ2 . 10091 1 1156 . 1 1 91 91 TRP CZ3 C 13 121.526 0.300 . 1 . . . . 91 TRP CZ3 . 10091 1 1157 . 1 1 91 91 TRP CH2 C 13 123.699 0.300 . 1 . . . . 91 TRP CH2 . 10091 1 1158 . 1 1 91 91 TRP N N 15 117.353 0.300 . 1 . . . . 91 TRP N . 10091 1 1159 . 1 1 91 91 TRP NE1 N 15 130.504 0.300 . 1 . . . . 91 TRP NE1 . 10091 1 1160 . 1 1 92 92 SER H H 1 8.753 0.030 . 1 . . . . 92 SER H . 10091 1 1161 . 1 1 92 92 SER HA H 1 4.474 0.030 . 1 . . . . 92 SER HA . 10091 1 1162 . 1 1 92 92 SER HB2 H 1 3.883 0.030 . 2 . . . . 92 SER HB2 . 10091 1 1163 . 1 1 92 92 SER HB3 H 1 3.834 0.030 . 2 . . . . 92 SER HB3 . 10091 1 1164 . 1 1 92 92 SER C C 13 174.505 0.300 . 1 . . . . 92 SER C . 10091 1 1165 . 1 1 92 92 SER CA C 13 58.406 0.300 . 1 . . . . 92 SER CA . 10091 1 1166 . 1 1 92 92 SER CB C 13 64.137 0.300 . 1 . . . . 92 SER CB . 10091 1 1167 . 1 1 92 92 SER N N 15 117.366 0.300 . 1 . . . . 92 SER N . 10091 1 1168 . 1 1 93 93 GLY H H 1 7.933 0.030 . 1 . . . . 93 GLY H . 10091 1 1169 . 1 1 93 93 GLY HA2 H 1 4.059 0.030 . 2 . . . . 93 GLY HA2 . 10091 1 1170 . 1 1 93 93 GLY HA3 H 1 3.926 0.030 . 2 . . . . 93 GLY HA3 . 10091 1 1171 . 1 1 93 93 GLY C C 13 171.624 0.300 . 1 . . . . 93 GLY C . 10091 1 1172 . 1 1 93 93 GLY CA C 13 44.661 0.300 . 1 . . . . 93 GLY CA . 10091 1 1173 . 1 1 93 93 GLY N N 15 110.442 0.300 . 1 . . . . 93 GLY N . 10091 1 1174 . 1 1 94 94 PRO HA H 1 4.518 0.030 . 1 . . . . 94 PRO HA . 10091 1 1175 . 1 1 94 94 PRO HB2 H 1 2.319 0.030 . 2 . . . . 94 PRO HB2 . 10091 1 1176 . 1 1 94 94 PRO HB3 H 1 1.993 0.030 . 2 . . . . 94 PRO HB3 . 10091 1 1177 . 1 1 94 94 PRO HG2 H 1 2.038 0.030 . 1 . . . . 94 PRO HG2 . 10091 1 1178 . 1 1 94 94 PRO HG3 H 1 2.038 0.030 . 1 . . . . 94 PRO HG3 . 10091 1 1179 . 1 1 94 94 PRO HD2 H 1 3.613 0.030 . 1 . . . . 94 PRO HD2 . 10091 1 1180 . 1 1 94 94 PRO HD3 H 1 3.613 0.030 . 1 . . . . 94 PRO HD3 . 10091 1 1181 . 1 1 94 94 PRO C C 13 177.599 0.300 . 1 . . . . 94 PRO C . 10091 1 1182 . 1 1 94 94 PRO CA C 13 63.251 0.300 . 1 . . . . 94 PRO CA . 10091 1 1183 . 1 1 94 94 PRO CB C 13 32.247 0.300 . 1 . . . . 94 PRO CB . 10091 1 1184 . 1 1 94 94 PRO CG C 13 27.221 0.300 . 1 . . . . 94 PRO CG . 10091 1 1185 . 1 1 94 94 PRO CD C 13 49.767 0.300 . 1 . . . . 94 PRO CD . 10091 1 1186 . 1 1 95 95 SER H H 1 8.619 0.030 . 1 . . . . 95 SER H . 10091 1 1187 . 1 1 95 95 SER HA H 1 4.636 0.030 . 1 . . . . 95 SER HA . 10091 1 1188 . 1 1 95 95 SER HB2 H 1 3.927 0.030 . 1 . . . . 95 SER HB2 . 10091 1 1189 . 1 1 95 95 SER HB3 H 1 3.927 0.030 . 1 . . . . 95 SER HB3 . 10091 1 1190 . 1 1 95 95 SER C C 13 174.780 0.300 . 1 . . . . 95 SER C . 10091 1 1191 . 1 1 95 95 SER CA C 13 54.704 0.300 . 1 . . . . 95 SER CA . 10091 1 1192 . 1 1 95 95 SER CB C 13 63.885 0.300 . 1 . . . . 95 SER CB . 10091 1 1193 . 1 1 95 95 SER N N 15 116.620 0.300 . 1 . . . . 95 SER N . 10091 1 1194 . 1 1 96 96 SER H H 1 8.365 0.030 . 1 . . . . 96 SER H . 10091 1 1195 . 1 1 96 96 SER HA H 1 4.477 0.030 . 1 . . . . 96 SER HA . 10091 1 1196 . 1 1 96 96 SER HB2 H 1 3.860 0.030 . 1 . . . . 96 SER HB2 . 10091 1 1197 . 1 1 96 96 SER HB3 H 1 3.860 0.030 . 1 . . . . 96 SER HB3 . 10091 1 1198 . 1 1 96 96 SER C C 13 173.995 0.300 . 1 . . . . 96 SER C . 10091 1 1199 . 1 1 96 96 SER CA C 13 58.406 0.300 . 1 . . . . 96 SER CA . 10091 1 1200 . 1 1 96 96 SER CB C 13 64.214 0.300 . 1 . . . . 96 SER CB . 10091 1 1201 . 1 1 96 96 SER N N 15 117.839 0.300 . 1 . . . . 96 SER N . 10091 1 1202 . 1 1 97 97 GLY H H 1 8.059 0.030 . 1 . . . . 97 GLY H . 10091 1 1203 . 1 1 97 97 GLY HA2 H 1 3.773 0.030 . 1 . . . . 97 GLY HA2 . 10091 1 1204 . 1 1 97 97 GLY HA3 H 1 3.773 0.030 . 1 . . . . 97 GLY HA3 . 10091 1 1205 . 1 1 97 97 GLY C C 13 179.029 0.300 . 1 . . . . 97 GLY C . 10091 1 1206 . 1 1 97 97 GLY CA C 13 46.352 0.300 . 1 . . . . 97 GLY CA . 10091 1 1207 . 1 1 97 97 GLY N N 15 116.862 0.300 . 1 . . . . 97 GLY N . 10091 1 stop_ save_