data_7285 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7285 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structure of a double dockerin domain' 'Structure analysis' . 7285 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . cellulosome 7285 1 . dockerin 7285 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7285 _Entry.Title ; 1H, 13C and 15N assignments for a double dockerin domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-01 _Entry.Accession_date 2006-09-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Richard Tunnicliffe . B. . 7285 2 Mike Williamson . P. . 7285 3 Lee Higgins . D. . 7285 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7285 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 7285 '15N chemical shifts' 118 7285 '1H chemical shifts' 571 7285 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-17 2006-09-01 update BMRB 'complete entry citation' 7285 1 . . 2007-10-09 2006-09-01 original author 'original release' 7285 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2J4M 'BMRB Entry Tracking System' 7285 PDB 2J4N 'BMRB Entry Tracking System' 7285 . 3322 'first domain from this protein' 7285 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7285 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17869267 _Citation.Full_citation . _Citation.Title 'Characterization of a double dockerin from the cellulosome of the anaerobic fungus Piromyces equi' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 373 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 612 _Citation.Page_last 622 _Citation.Year 2007 _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 Tibor Nagy . . . 7285 1 2 Richard Tunnicliffe . B. . 7285 1 3 Lee Higgins . D. . 7285 1 4 Chris Walters . . . 7285 1 5 Harry Gilbert . J. . 7285 1 6 Mike Williamson . P. . 7285 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cellulosome 7285 1 dockerin 7285 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7285 _Assembly.ID 1 _Assembly.Name 'double dockerin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 10000 _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 7285 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 'double dockerin' 1 $double_dockerin . . yes native no no . . . 7285 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 12 12 SG . . . . . . . . . . 7285 1 2 disulfide SING . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . 7285 1 3 disulfide SING . 1 . 1 CYS 53 53 SG . 1 . 1 CYS 61 61 SG . . . . . . . . . . 7285 1 4 disulfide SING . 1 . 1 CYS 62 62 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . 7285 1 5 disulfide SING . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . 7285 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cellulosome assembly' 7285 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_double_dockerin _Entity.Sf_category entity _Entity.Sf_framecode double_dockerin _Entity.Entry_ID 7285 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'double dockerin' _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 ; MACWAQSQGYNCCNNPSSTK VEYTDASGQWGVQNGQWCGI DYSYGQNQGNESCTGNGSYP CCNTCQATYTDGDGDWAFEN GNWCGIKNSCKQQPQN ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 3322 . dockerin . . . . . 53.13 52 98.04 100.00 3.95e-25 . . . . 7285 1 2 no PDB 2J4M . "Double Dockerin From Piromyces Equi Cel45a" . . . . . 100.00 100 100.00 100.00 8.70e-60 . . . . 7285 1 3 no PDB 2J4N . "Double Dockerin From Piromyces Equi Cel45a" . . . . . 100.00 100 100.00 100.00 8.70e-60 . . . . 7285 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 0 MET . 7285 1 2 1 ALA . 7285 1 3 2 CYS . 7285 1 4 3 TRP . 7285 1 5 4 ALA . 7285 1 6 5 GLN . 7285 1 7 6 SER . 7285 1 8 7 GLN . 7285 1 9 8 GLY . 7285 1 10 9 TYR . 7285 1 11 10 ASN . 7285 1 12 11 CYS . 7285 1 13 12 CYS . 7285 1 14 13 ASN . 7285 1 15 14 ASN . 7285 1 16 15 PRO . 7285 1 17 16 SER . 7285 1 18 17 SER . 7285 1 19 18 THR . 7285 1 20 19 LYS . 7285 1 21 20 VAL . 7285 1 22 21 GLU . 7285 1 23 22 TYR . 7285 1 24 23 THR . 7285 1 25 24 ASP . 7285 1 26 25 ALA . 7285 1 27 26 SER . 7285 1 28 27 GLY . 7285 1 29 28 GLN . 7285 1 30 29 TRP . 7285 1 31 30 GLY . 7285 1 32 31 VAL . 7285 1 33 32 GLN . 7285 1 34 33 ASN . 7285 1 35 34 GLY . 7285 1 36 35 GLN . 7285 1 37 36 TRP . 7285 1 38 37 CYS . 7285 1 39 38 GLY . 7285 1 40 39 ILE . 7285 1 41 40 ASP . 7285 1 42 41 TYR . 7285 1 43 42 SER . 7285 1 44 43 TYR . 7285 1 45 44 GLY . 7285 1 46 45 GLN . 7285 1 47 46 ASN . 7285 1 48 47 GLN . 7285 1 49 48 GLY . 7285 1 50 49 ASN . 7285 1 51 50 GLU . 7285 1 52 51 SER . 7285 1 53 52 CYS . 7285 1 54 53 THR . 7285 1 55 54 GLY . 7285 1 56 55 ASN . 7285 1 57 56 GLY . 7285 1 58 57 SER . 7285 1 59 58 TYR . 7285 1 60 59 PRO . 7285 1 61 60 CYS . 7285 1 62 61 CYS . 7285 1 63 62 ASN . 7285 1 64 63 THR . 7285 1 65 64 CYS . 7285 1 66 65 GLN . 7285 1 67 66 ALA . 7285 1 68 67 THR . 7285 1 69 68 TYR . 7285 1 70 69 THR . 7285 1 71 70 ASP . 7285 1 72 71 GLY . 7285 1 73 72 ASP . 7285 1 74 73 GLY . 7285 1 75 74 ASP . 7285 1 76 75 TRP . 7285 1 77 76 ALA . 7285 1 78 77 PHE . 7285 1 79 78 GLU . 7285 1 80 79 ASN . 7285 1 81 80 GLY . 7285 1 82 81 ASN . 7285 1 83 82 TRP . 7285 1 84 83 CYS . 7285 1 85 84 GLY . 7285 1 86 85 ILE . 7285 1 87 86 LYS . 7285 1 88 87 ASN . 7285 1 89 88 SER . 7285 1 90 89 CYS . 7285 1 91 90 LYS . 7285 1 92 91 GLN . 7285 1 93 92 GLN . 7285 1 94 93 PRO . 7285 1 95 94 GLN . 7285 1 96 95 ASN . 7285 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 . MET 1 1 7285 1 . ALA 2 2 7285 1 . CYS 3 3 7285 1 . TRP 4 4 7285 1 . ALA 5 5 7285 1 . GLN 6 6 7285 1 . SER 7 7 7285 1 . GLN 8 8 7285 1 . GLY 9 9 7285 1 . TYR 10 10 7285 1 . ASN 11 11 7285 1 . CYS 12 12 7285 1 . CYS 13 13 7285 1 . ASN 14 14 7285 1 . ASN 15 15 7285 1 . PRO 16 16 7285 1 . SER 17 17 7285 1 . SER 18 18 7285 1 . THR 19 19 7285 1 . LYS 20 20 7285 1 . VAL 21 21 7285 1 . GLU 22 22 7285 1 . TYR 23 23 7285 1 . THR 24 24 7285 1 . ASP 25 25 7285 1 . ALA 26 26 7285 1 . SER 27 27 7285 1 . GLY 28 28 7285 1 . GLN 29 29 7285 1 . TRP 30 30 7285 1 . GLY 31 31 7285 1 . VAL 32 32 7285 1 . GLN 33 33 7285 1 . ASN 34 34 7285 1 . GLY 35 35 7285 1 . GLN 36 36 7285 1 . TRP 37 37 7285 1 . CYS 38 38 7285 1 . GLY 39 39 7285 1 . ILE 40 40 7285 1 . ASP 41 41 7285 1 . TYR 42 42 7285 1 . SER 43 43 7285 1 . TYR 44 44 7285 1 . GLY 45 45 7285 1 . GLN 46 46 7285 1 . ASN 47 47 7285 1 . GLN 48 48 7285 1 . GLY 49 49 7285 1 . ASN 50 50 7285 1 . GLU 51 51 7285 1 . SER 52 52 7285 1 . CYS 53 53 7285 1 . THR 54 54 7285 1 . GLY 55 55 7285 1 . ASN 56 56 7285 1 . GLY 57 57 7285 1 . SER 58 58 7285 1 . TYR 59 59 7285 1 . PRO 60 60 7285 1 . CYS 61 61 7285 1 . CYS 62 62 7285 1 . ASN 63 63 7285 1 . THR 64 64 7285 1 . CYS 65 65 7285 1 . GLN 66 66 7285 1 . ALA 67 67 7285 1 . THR 68 68 7285 1 . TYR 69 69 7285 1 . THR 70 70 7285 1 . ASP 71 71 7285 1 . GLY 72 72 7285 1 . ASP 73 73 7285 1 . GLY 74 74 7285 1 . ASP 75 75 7285 1 . TRP 76 76 7285 1 . ALA 77 77 7285 1 . PHE 78 78 7285 1 . GLU 79 79 7285 1 . ASN 80 80 7285 1 . GLY 81 81 7285 1 . ASN 82 82 7285 1 . TRP 83 83 7285 1 . CYS 84 84 7285 1 . GLY 85 85 7285 1 . ILE 86 86 7285 1 . LYS 87 87 7285 1 . ASN 88 88 7285 1 . SER 89 89 7285 1 . CYS 90 90 7285 1 . LYS 91 91 7285 1 . GLN 92 92 7285 1 . GLN 93 93 7285 1 . PRO 94 94 7285 1 . GLN 95 95 7285 1 . ASN 96 96 7285 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 7285 _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 $double_dockerin . 99929 organism no 'Piromyces equi' 'Piromyces equi' . . Eukaryota Fungi Piromyces equi . . . . . . . . . . . . . . . . . . . . . 7285 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 7285 _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 $double_dockerin . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . pGEX-4T-2 . . . . . . 7285 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7285 _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 'double dockerin' '[U-95% 13C; U-90% 15N]' . . 1 $double_dockerin . protein 0.8 . . mM . . . . 7285 1 2 'sodium phosphate' . . . . . . buffer 50 . . mM . . . . 7285 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7285 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 7285 1 temperature 298 0.5 K 7285 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 7285 _Software.ID 1 _Software.Name FELIX _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Inc' . . 7285 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7285 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7285 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7285 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 7285 _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 '2D 15N-1H' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 2 '13C-1H HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 4 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 5 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 6 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 7 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 8 HCCH-TOCSYm no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 9 CCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 10 '13C/15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7285 1 stop_ save_ save_2D_15N-1H _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_15N-1H _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 15N-1H' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-1H_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-1H_HSQC _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSYm _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSYm _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSYm _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCH-TOCSY _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_15N-edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_15N-edited_NOESY _NMR_spec_expt.Entry_ID 7285 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C/15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7285 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . . . . . . . 7285 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7285 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 7285 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7285 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7285 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.10 0.01 . 1 . . . . 0 MET H . 7285 1 2 . 1 1 1 1 MET HA H 1 4.47 0.01 . 1 . . . . 0 MET HA . 7285 1 3 . 1 1 1 1 MET HB2 H 1 2.07 0.01 . 2 . . . . 0 MET HB2 . 7285 1 4 . 1 1 1 1 MET HB3 H 1 1.98 0.01 . 2 . . . . 0 MET HB3 . 7285 1 5 . 1 1 1 1 MET HG2 H 1 2.54 0.01 . 2 . . . . 0 MET HG2 . 7285 1 6 . 1 1 1 1 MET HG3 H 1 2.48 0.01 . 2 . . . . 0 MET HG3 . 7285 1 7 . 1 1 1 1 MET HE1 H 1 1.51 0.01 . 1 . . . . 0 MET HE . 7285 1 8 . 1 1 1 1 MET HE2 H 1 1.51 0.01 . 1 . . . . 0 MET HE . 7285 1 9 . 1 1 1 1 MET HE3 H 1 1.51 0.01 . 1 . . . . 0 MET HE . 7285 1 10 . 1 1 1 1 MET C C 13 174.9 0.1 . 1 . . . . 0 MET C . 7285 1 11 . 1 1 1 1 MET CA C 13 55.53 0.1 . 1 . . . . 0 MET CA . 7285 1 12 . 1 1 1 1 MET CB C 13 33.31 0.1 . 1 . . . . 0 MET CB . 7285 1 13 . 1 1 1 1 MET CG C 13 32.01 0.1 . 1 . . . . 0 MET CG . 7285 1 14 . 1 1 1 1 MET CE C 13 19.60 0.1 . 1 . . . . 0 MET CE . 7285 1 15 . 1 1 1 1 MET N N 15 120.7 0.1 . 1 . . . . 0 MET N . 7285 1 16 . 1 1 2 2 ALA H H 1 8.36 0.01 . 1 . . . . 1 ALA H . 7285 1 17 . 1 1 2 2 ALA HA H 1 4.33 0.01 . 1 . . . . 1 ALA HA . 7285 1 18 . 1 1 2 2 ALA HB1 H 1 1.37 0.01 . 1 . . . . 1 ALA HB . 7285 1 19 . 1 1 2 2 ALA HB2 H 1 1.37 0.01 . 1 . . . . 1 ALA HB . 7285 1 20 . 1 1 2 2 ALA HB3 H 1 1.37 0.01 . 1 . . . . 1 ALA HB . 7285 1 21 . 1 1 2 2 ALA C C 13 175.7 0.1 . 1 . . . . 1 ALA C . 7285 1 22 . 1 1 2 2 ALA CA C 13 52.49 0.1 . 1 . . . . 1 ALA CA . 7285 1 23 . 1 1 2 2 ALA CB C 13 19.86 0.1 . 1 . . . . 1 ALA CB . 7285 1 24 . 1 1 2 2 ALA N N 15 126.6 0.1 . 1 . . . . 1 ALA N . 7285 1 25 . 1 1 3 3 CYS H H 1 7.94 0.01 . 1 . . . . 2 CYS H . 7285 1 26 . 1 1 3 3 CYS HA H 1 5.04 0.01 . 1 . . . . 2 CYS HA . 7285 1 27 . 1 1 3 3 CYS HB2 H 1 3.08 0.01 . 2 . . . . 2 CYS HB2 . 7285 1 28 . 1 1 3 3 CYS HB3 H 1 2.59 0.01 . 2 . . . . 2 CYS HB3 . 7285 1 29 . 1 1 3 3 CYS C C 13 174.9 0.1 . 1 . . . . 2 CYS C . 7285 1 30 . 1 1 3 3 CYS CA C 13 54.44 0.1 . 1 . . . . 2 CYS CA . 7285 1 31 . 1 1 3 3 CYS CB C 13 40.45 0.1 . 1 . . . . 2 CYS CB . 7285 1 32 . 1 1 3 3 CYS N N 15 115.3 0.1 . 1 . . . . 2 CYS N . 7285 1 33 . 1 1 4 4 TRP H H 1 9.21 0.01 . 1 . . . . 3 TRP H . 7285 1 34 . 1 1 4 4 TRP HA H 1 4.45 0.01 . 1 . . . . 3 TRP HA . 7285 1 35 . 1 1 4 4 TRP HB2 H 1 3.48 0.01 . 2 . . . . 3 TRP HB2 . 7285 1 36 . 1 1 4 4 TRP HB3 H 1 3.25 0.01 . 2 . . . . 3 TRP HB3 . 7285 1 37 . 1 1 4 4 TRP HD1 H 1 7.29 0.01 . 1 . . . . 3 TRP HD1 . 7285 1 38 . 1 1 4 4 TRP HE1 H 1 9.47 0.01 . 1 . . . . 3 TRP HE1 . 7285 1 39 . 1 1 4 4 TRP HE3 H 1 6.98 0.01 . 1 . . . . 3 TRP HE3 . 7285 1 40 . 1 1 4 4 TRP HZ2 H 1 7.24 0.01 . 1 . . . . 3 TRP HZ2 . 7285 1 41 . 1 1 4 4 TRP HZ3 H 1 6.46 0.01 . 1 . . . . 3 TRP HZ3 . 7285 1 42 . 1 1 4 4 TRP HH2 H 1 4.93 0.01 . 1 . . . . 3 TRP HH2 . 7285 1 43 . 1 1 4 4 TRP C C 13 180.5 0.1 . 1 . . . . 3 TRP C . 7285 1 44 . 1 1 4 4 TRP CA C 13 59.66 0.1 . 1 . . . . 3 TRP CA . 7285 1 45 . 1 1 4 4 TRP CB C 13 28.47 0.1 . 1 . . . . 3 TRP CB . 7285 1 46 . 1 1 4 4 TRP CD1 C 13 128.5 0.1 . 1 . . . . 3 TRP CD1 . 7285 1 47 . 1 1 4 4 TRP CE3 C 13 119.5 0.1 . 1 . . . . 3 TRP CE3 . 7285 1 48 . 1 1 4 4 TRP CZ2 C 13 114.3 0.1 . 1 . . . . 3 TRP CZ2 . 7285 1 49 . 1 1 4 4 TRP CZ3 C 13 122.1 0.1 . 1 . . . . 3 TRP CZ3 . 7285 1 50 . 1 1 4 4 TRP CH2 C 13 123.8 0.1 . 1 . . . . 3 TRP CH2 . 7285 1 51 . 1 1 4 4 TRP N N 15 129.1 0.1 . 1 . . . . 3 TRP N . 7285 1 52 . 1 1 4 4 TRP NE1 N 15 127.9 0.1 . 1 . . . . 3 TRP NE1 . 7285 1 53 . 1 1 5 5 ALA H H 1 5.80 0.01 . 1 . . . . 4 ALA H . 7285 1 54 . 1 1 5 5 ALA HA H 1 3.73 0.01 . 1 . . . . 4 ALA HA . 7285 1 55 . 1 1 5 5 ALA HB1 H 1 0.11 0.01 . 1 . . . . 4 ALA HB . 7285 1 56 . 1 1 5 5 ALA HB2 H 1 0.11 0.01 . 1 . . . . 4 ALA HB . 7285 1 57 . 1 1 5 5 ALA HB3 H 1 0.11 0.01 . 1 . . . . 4 ALA HB . 7285 1 58 . 1 1 5 5 ALA C C 13 178.5 0.1 . 1 . . . . 4 ALA C . 7285 1 59 . 1 1 5 5 ALA CA C 13 54.33 0.1 . 1 . . . . 4 ALA CA . 7285 1 60 . 1 1 5 5 ALA CB C 13 17.64 0.1 . 1 . . . . 4 ALA CB . 7285 1 61 . 1 1 5 5 ALA N N 15 122.7 0.1 . 1 . . . . 4 ALA N . 7285 1 62 . 1 1 6 6 GLN H H 1 7.26 0.01 . 1 . . . . 5 GLN H . 7285 1 63 . 1 1 6 6 GLN HA H 1 4.46 0.01 . 1 . . . . 5 GLN HA . 7285 1 64 . 1 1 6 6 GLN HB2 H 1 2.05 0.01 . 2 . . . . 5 GLN HB2 . 7285 1 65 . 1 1 6 6 GLN HB3 H 1 2.12 0.01 . 2 . . . . 5 GLN HB3 . 7285 1 66 . 1 1 6 6 GLN HG2 H 1 2.41 0.01 . 1 . . . . 5 GLN HG2 . 7285 1 67 . 1 1 6 6 GLN HG3 H 1 2.41 0.01 . 1 . . . . 5 GLN HG3 . 7285 1 68 . 1 1 6 6 GLN HE21 H 1 7.39 0.01 . 2 . . . . 5 GLN HE21 . 7285 1 69 . 1 1 6 6 GLN HE22 H 1 6.83 0.01 . 2 . . . . 5 GLN HE22 . 7285 1 70 . 1 1 6 6 GLN C C 13 180.2 0.1 . 1 . . . . 5 GLN C . 7285 1 71 . 1 1 6 6 GLN CA C 13 58.80 0.1 . 1 . . . . 5 GLN CA . 7285 1 72 . 1 1 6 6 GLN CB C 13 28.54 0.1 . 1 . . . . 5 GLN CB . 7285 1 73 . 1 1 6 6 GLN CG C 13 34.25 0.1 . 1 . . . . 5 GLN CG . 7285 1 74 . 1 1 6 6 GLN N N 15 122.7 0.1 . 1 . . . . 5 GLN N . 7285 1 75 . 1 1 6 6 GLN NE2 N 15 111.7 0.1 . 1 . . . . 5 GLN NE2 . 7285 1 76 . 1 1 7 7 SER H H 1 8.12 0.01 . 1 . . . . 6 SER H . 7285 1 77 . 1 1 7 7 SER HA H 1 4.32 0.01 . 1 . . . . 6 SER HA . 7285 1 78 . 1 1 7 7 SER HB2 H 1 4.09 0.01 . 1 . . . . 6 SER HB2 . 7285 1 79 . 1 1 7 7 SER HB3 H 1 4.09 0.01 . 1 . . . . 6 SER HB3 . 7285 1 80 . 1 1 7 7 SER C C 13 175.1 0.1 . 1 . . . . 6 SER C . 7285 1 81 . 1 1 7 7 SER CA C 13 60.98 0.1 . 1 . . . . 6 SER CA . 7285 1 82 . 1 1 7 7 SER CB C 13 62.71 0.1 . 1 . . . . 6 SER CB . 7285 1 83 . 1 1 7 7 SER N N 15 115.9 0.1 . 1 . . . . 6 SER N . 7285 1 84 . 1 1 8 8 GLN H H 1 7.66 0.01 . 1 . . . . 7 GLN H . 7285 1 85 . 1 1 8 8 GLN HA H 1 4.68 0.01 . 1 . . . . 7 GLN HA . 7285 1 86 . 1 1 8 8 GLN HB2 H 1 2.31 0.01 . 2 . . . . 7 GLN HB2 . 7285 1 87 . 1 1 8 8 GLN HB3 H 1 2.81 0.01 . 2 . . . . 7 GLN HB3 . 7285 1 88 . 1 1 8 8 GLN HG2 H 1 2.60 0.01 . 1 . . . . 7 GLN HG2 . 7285 1 89 . 1 1 8 8 GLN HG3 H 1 2.60 0.01 . 1 . . . . 7 GLN HG3 . 7285 1 90 . 1 1 8 8 GLN HE21 H 1 7.11 0.01 . 2 . . . . 7 GLN HE21 . 7285 1 91 . 1 1 8 8 GLN HE22 H 1 7.77 0.01 . 2 . . . . 7 GLN HE22 . 7285 1 92 . 1 1 8 8 GLN C C 13 175.6 0.1 . 1 . . . . 7 GLN C . 7285 1 93 . 1 1 8 8 GLN CA C 13 55.07 0.1 . 1 . . . . 7 GLN CA . 7285 1 94 . 1 1 8 8 GLN CB C 13 30.60 0.1 . 1 . . . . 7 GLN CB . 7285 1 95 . 1 1 8 8 GLN CG C 13 34.48 0.1 . 1 . . . . 7 GLN CG . 7285 1 96 . 1 1 8 8 GLN N N 15 118.1 0.1 . 1 . . . . 7 GLN N . 7285 1 97 . 1 1 8 8 GLN NE2 N 15 110.9 0.1 . 1 . . . . 7 GLN NE2 . 7285 1 98 . 1 1 9 9 GLY H H 1 7.74 0.01 . 1 . . . . 8 GLY H . 7285 1 99 . 1 1 9 9 GLY HA2 H 1 4.02 0.01 . 2 . . . . 8 GLY HA2 . 7285 1 100 . 1 1 9 9 GLY HA3 H 1 3.64 0.01 . 2 . . . . 8 GLY HA3 . 7285 1 101 . 1 1 9 9 GLY C C 13 173.6 0.1 . 1 . . . . 8 GLY C . 7285 1 102 . 1 1 9 9 GLY CA C 13 45.25 0.1 . 1 . . . . 8 GLY CA . 7285 1 103 . 1 1 9 9 GLY N N 15 105.5 0.1 . 1 . . . . 8 GLY N . 7285 1 104 . 1 1 10 10 TYR H H 1 7.45 0.01 . 1 . . . . 9 TYR H . 7285 1 105 . 1 1 10 10 TYR HA H 1 4.74 0.01 . 1 . . . . 9 TYR HA . 7285 1 106 . 1 1 10 10 TYR HB2 H 1 3.32 0.01 . 2 . . . . 9 TYR HB2 . 7285 1 107 . 1 1 10 10 TYR HB3 H 1 2.49 0.01 . 2 . . . . 9 TYR HB3 . 7285 1 108 . 1 1 10 10 TYR HD1 H 1 7.18 0.01 . 1 . . . . 9 TYR HD1 . 7285 1 109 . 1 1 10 10 TYR HD2 H 1 7.18 0.01 . 1 . . . . 9 TYR HD2 . 7285 1 110 . 1 1 10 10 TYR HE1 H 1 6.83 0.01 . 1 . . . . 9 TYR HE1 . 7285 1 111 . 1 1 10 10 TYR HE2 H 1 6.83 0.01 . 1 . . . . 9 TYR HE2 . 7285 1 112 . 1 1 10 10 TYR C C 13 173.9 0.1 . 1 . . . . 9 TYR C . 7285 1 113 . 1 1 10 10 TYR CA C 13 57.11 0.1 . 1 . . . . 9 TYR CA . 7285 1 114 . 1 1 10 10 TYR CB C 13 42.89 0.1 . 1 . . . . 9 TYR CB . 7285 1 115 . 1 1 10 10 TYR CD1 C 13 133.5 0.1 . 1 . . . . 9 TYR CD1 . 7285 1 116 . 1 1 10 10 TYR CD2 C 13 133.5 0.1 . 1 . . . . 9 TYR CD2 . 7285 1 117 . 1 1 10 10 TYR CE1 C 13 118.1 0.1 . 1 . . . . 9 TYR CE1 . 7285 1 118 . 1 1 10 10 TYR CE2 C 13 118.1 0.1 . 1 . . . . 9 TYR CE2 . 7285 1 119 . 1 1 10 10 TYR N N 15 118.4 0.1 . 1 . . . . 9 TYR N . 7285 1 120 . 1 1 11 11 ASN H H 1 8.72 0.01 . 1 . . . . 10 ASN H . 7285 1 121 . 1 1 11 11 ASN HA H 1 4.68 0.01 . 1 . . . . 10 ASN HA . 7285 1 122 . 1 1 11 11 ASN HB2 H 1 2.77 0.01 . 2 . . . . 10 ASN HB2 . 7285 1 123 . 1 1 11 11 ASN HB3 H 1 2.54 0.01 . 2 . . . . 10 ASN HB3 . 7285 1 124 . 1 1 11 11 ASN HD21 H 1 7.52 0.01 . 2 . . . . 10 ASN HD21 . 7285 1 125 . 1 1 11 11 ASN HD22 H 1 6.93 0.01 . 2 . . . . 10 ASN HD22 . 7285 1 126 . 1 1 11 11 ASN C C 13 176.2 0.1 . 1 . . . . 10 ASN C . 7285 1 127 . 1 1 11 11 ASN CA C 13 52.35 0.1 . 1 . . . . 10 ASN CA . 7285 1 128 . 1 1 11 11 ASN CB C 13 39.83 0.1 . 1 . . . . 10 ASN CB . 7285 1 129 . 1 1 11 11 ASN N N 15 115.6 0.1 . 1 . . . . 10 ASN N . 7285 1 130 . 1 1 11 11 ASN ND2 N 15 113.4 0.1 . 1 . . . . 10 ASN ND2 . 7285 1 131 . 1 1 12 12 CYS H H 1 8.36 0.01 . 1 . . . . 11 CYS H . 7285 1 132 . 1 1 12 12 CYS HA H 1 4.94 0.01 . 1 . . . . 11 CYS HA . 7285 1 133 . 1 1 12 12 CYS HB2 H 1 1.61 0.01 . 2 . . . . 11 CYS HB2 . 7285 1 134 . 1 1 12 12 CYS HB3 H 1 2.97 0.01 . 2 . . . . 11 CYS HB3 . 7285 1 135 . 1 1 12 12 CYS C C 13 175.6 0.1 . 1 . . . . 11 CYS C . 7285 1 136 . 1 1 12 12 CYS CA C 13 53.90 0.1 . 1 . . . . 11 CYS CA . 7285 1 137 . 1 1 12 12 CYS CB C 13 40.43 0.1 . 1 . . . . 11 CYS CB . 7285 1 138 . 1 1 12 12 CYS N N 15 117.1 0.1 . 1 . . . . 11 CYS N . 7285 1 139 . 1 1 13 13 CYS H H 1 8.45 0.01 . 1 . . . . 12 CYS H . 7285 1 140 . 1 1 13 13 CYS HA H 1 4.17 0.01 . 1 . . . . 12 CYS HA . 7285 1 141 . 1 1 13 13 CYS HB2 H 1 1.88 0.01 . 2 . . . . 12 CYS HB2 . 7285 1 142 . 1 1 13 13 CYS HB3 H 1 3.10 0.01 . 2 . . . . 12 CYS HB3 . 7285 1 143 . 1 1 13 13 CYS C C 13 175.3 0.1 . 1 . . . . 12 CYS C . 7285 1 144 . 1 1 13 13 CYS CA C 13 53.36 0.1 . 1 . . . . 12 CYS CA . 7285 1 145 . 1 1 13 13 CYS CB C 13 38.99 0.1 . 1 . . . . 12 CYS CB . 7285 1 146 . 1 1 13 13 CYS N N 15 121.2 0.1 . 1 . . . . 12 CYS N . 7285 1 147 . 1 1 14 14 ASN H H 1 9.40 0.01 . 1 . . . . 13 ASN H . 7285 1 148 . 1 1 14 14 ASN HA H 1 4.62 0.01 . 1 . . . . 13 ASN HA . 7285 1 149 . 1 1 14 14 ASN HB2 H 1 2.64 0.01 . 1 . . . . 13 ASN HB2 . 7285 1 150 . 1 1 14 14 ASN HB3 H 1 2.64 0.01 . 1 . . . . 13 ASN HB3 . 7285 1 151 . 1 1 14 14 ASN HD21 H 1 7.06 0.01 . 2 . . . . 13 ASN HD21 . 7285 1 152 . 1 1 14 14 ASN HD22 H 1 7.58 0.01 . 2 . . . . 13 ASN HD22 . 7285 1 153 . 1 1 14 14 ASN C C 13 175.3 0.1 . 1 . . . . 13 ASN C . 7285 1 154 . 1 1 14 14 ASN CA C 13 54.05 0.1 . 1 . . . . 13 ASN CA . 7285 1 155 . 1 1 14 14 ASN CB C 13 39.16 0.1 . 1 . . . . 13 ASN CB . 7285 1 156 . 1 1 14 14 ASN N N 15 123.0 0.1 . 1 . . . . 13 ASN N . 7285 1 157 . 1 1 14 14 ASN ND2 N 15 114.0 0.1 . 1 . . . . 13 ASN ND2 . 7285 1 158 . 1 1 15 15 ASN H H 1 8.99 0.01 . 1 . . . . 14 ASN H . 7285 1 159 . 1 1 15 15 ASN HA H 1 4.63 0.01 . 1 . . . . 14 ASN HA . 7285 1 160 . 1 1 15 15 ASN HB2 H 1 2.87 0.01 . 2 . . . . 14 ASN HB2 . 7285 1 161 . 1 1 15 15 ASN HB3 H 1 2.70 0.01 . 2 . . . . 14 ASN HB3 . 7285 1 162 . 1 1 15 15 ASN HD21 H 1 7.57 0.01 . 2 . . . . 14 ASN HD21 . 7285 1 163 . 1 1 15 15 ASN HD22 H 1 6.83 0.01 . 2 . . . . 14 ASN HD22 . 7285 1 164 . 1 1 15 15 ASN C C 13 174.4 0.1 . 1 . . . . 14 ASN C . 7285 1 165 . 1 1 15 15 ASN CA C 13 53.06 0.1 . 1 . . . . 14 ASN CA . 7285 1 166 . 1 1 15 15 ASN CB C 13 37.62 0.1 . 1 . . . . 14 ASN CB . 7285 1 167 . 1 1 15 15 ASN N N 15 115.2 0.1 . 1 . . . . 14 ASN N . 7285 1 168 . 1 1 15 15 ASN ND2 N 15 113.2 0.1 . 1 . . . . 14 ASN ND2 . 7285 1 169 . 1 1 16 16 PRO HA H 1 3.81 0.01 . 1 . . . . 15 PRO HA . 7285 1 170 . 1 1 16 16 PRO HB2 H 1 1.42 0.01 . 2 . . . . 15 PRO HB2 . 7285 1 171 . 1 1 16 16 PRO HB3 H 1 2.03 0.01 . 2 . . . . 15 PRO HB3 . 7285 1 172 . 1 1 16 16 PRO HG2 H 1 2.41 0.01 . 1 . . . . 15 PRO HG2 . 7285 1 173 . 1 1 16 16 PRO HG3 H 1 2.41 0.01 . 1 . . . . 15 PRO HG3 . 7285 1 174 . 1 1 16 16 PRO HD2 H 1 3.86 0.01 . 2 . . . . 15 PRO HD2 . 7285 1 175 . 1 1 16 16 PRO HD3 H 1 3.63 0.01 . 2 . . . . 15 PRO HD3 . 7285 1 176 . 1 1 16 16 PRO C C 13 177.8 0.1 . 1 . . . . 15 PRO C . 7285 1 177 . 1 1 16 16 PRO CA C 13 65.23 0.1 . 1 . . . . 15 PRO CA . 7285 1 178 . 1 1 16 16 PRO CB C 13 31.83 0.1 . 1 . . . . 15 PRO CB . 7285 1 179 . 1 1 16 16 PRO CG C 13 27.72 0.1 . 1 . . . . 15 PRO CG . 7285 1 180 . 1 1 16 16 PRO CD C 13 51.42 0.1 . 1 . . . . 15 PRO CD . 7285 1 181 . 1 1 17 17 SER H H 1 8.44 0.01 . 1 . . . . 16 SER H . 7285 1 182 . 1 1 17 17 SER HA H 1 4.38 0.01 . 1 . . . . 16 SER HA . 7285 1 183 . 1 1 17 17 SER HB2 H 1 4.03 0.01 . 2 . . . . 16 SER HB2 . 7285 1 184 . 1 1 17 17 SER HB3 H 1 3.94 0.01 . 2 . . . . 16 SER HB3 . 7285 1 185 . 1 1 17 17 SER C C 13 174.6 0.1 . 1 . . . . 16 SER C . 7285 1 186 . 1 1 17 17 SER CA C 13 61.32 0.1 . 1 . . . . 16 SER CA . 7285 1 187 . 1 1 17 17 SER CB C 13 62.95 0.1 . 1 . . . . 16 SER CB . 7285 1 188 . 1 1 17 17 SER N N 15 111.4 0.1 . 1 . . . . 16 SER N . 7285 1 189 . 1 1 18 18 SER H H 1 7.64 0.01 . 1 . . . . 17 SER H . 7285 1 190 . 1 1 18 18 SER HA H 1 4.74 0.01 . 1 . . . . 17 SER HA . 7285 1 191 . 1 1 18 18 SER HB2 H 1 3.90 0.01 . 2 . . . . 17 SER HB2 . 7285 1 192 . 1 1 18 18 SER HB3 H 1 3.82 0.01 . 2 . . . . 17 SER HB3 . 7285 1 193 . 1 1 18 18 SER C C 13 174.1 0.1 . 1 . . . . 17 SER C . 7285 1 194 . 1 1 18 18 SER CA C 13 57.31 0.1 . 1 . . . . 17 SER CA . 7285 1 195 . 1 1 18 18 SER CB C 13 63.94 0.1 . 1 . . . . 17 SER CB . 7285 1 196 . 1 1 18 18 SER N N 15 114.2 0.1 . 1 . . . . 17 SER N . 7285 1 197 . 1 1 19 19 THR H H 1 7.26 0.01 . 1 . . . . 18 THR H . 7285 1 198 . 1 1 19 19 THR HA H 1 4.15 0.01 . 1 . . . . 18 THR HA . 7285 1 199 . 1 1 19 19 THR HB H 1 3.82 0.01 . 1 . . . . 18 THR HB . 7285 1 200 . 1 1 19 19 THR HG21 H 1 1.20 0.01 . 1 . . . . 18 THR HG2 . 7285 1 201 . 1 1 19 19 THR HG22 H 1 1.20 0.01 . 1 . . . . 18 THR HG2 . 7285 1 202 . 1 1 19 19 THR HG23 H 1 1.20 0.01 . 1 . . . . 18 THR HG2 . 7285 1 203 . 1 1 19 19 THR C C 13 173.0 0.1 . 1 . . . . 18 THR C . 7285 1 204 . 1 1 19 19 THR CA C 13 63.38 0.1 . 1 . . . . 18 THR CA . 7285 1 205 . 1 1 19 19 THR CB C 13 69.42 0.1 . 1 . . . . 18 THR CB . 7285 1 206 . 1 1 19 19 THR CG2 C 13 21.07 0.1 . 1 . . . . 18 THR CG2 . 7285 1 207 . 1 1 19 19 THR N N 15 120.3 0.1 . 1 . . . . 18 THR N . 7285 1 208 . 1 1 20 20 LYS H H 1 8.65 0.01 . 1 . . . . 19 LYS H . 7285 1 209 . 1 1 20 20 LYS HA H 1 4.10 0.01 . 1 . . . . 19 LYS HA . 7285 1 210 . 1 1 20 20 LYS HB2 H 1 1.80 0.01 . 2 . . . . 19 LYS HB2 . 7285 1 211 . 1 1 20 20 LYS HB3 H 1 1.77 0.01 . 2 . . . . 19 LYS HB3 . 7285 1 212 . 1 1 20 20 LYS HG2 H 1 1.20 0.01 . 2 . . . . 19 LYS HG2 . 7285 1 213 . 1 1 20 20 LYS HG3 H 1 1.40 0.01 . 2 . . . . 19 LYS HG3 . 7285 1 214 . 1 1 20 20 LYS HD2 H 1 1.65 0.01 . 1 . . . . 19 LYS HD2 . 7285 1 215 . 1 1 20 20 LYS HD3 H 1 1.65 0.01 . 1 . . . . 19 LYS HD3 . 7285 1 216 . 1 1 20 20 LYS HE2 H 1 2.97 0.01 . 1 . . . . 19 LYS HE2 . 7285 1 217 . 1 1 20 20 LYS HE3 H 1 2.97 0.01 . 1 . . . . 19 LYS HE3 . 7285 1 218 . 1 1 20 20 LYS C C 13 176.3 0.1 . 1 . . . . 19 LYS C . 7285 1 219 . 1 1 20 20 LYS CA C 13 56.62 0.1 . 1 . . . . 19 LYS CA . 7285 1 220 . 1 1 20 20 LYS CB C 13 32.85 0.1 . 1 . . . . 19 LYS CB . 7285 1 221 . 1 1 20 20 LYS CG C 13 24.95 0.1 . 1 . . . . 19 LYS CG . 7285 1 222 . 1 1 20 20 LYS CD C 13 29.50 0.1 . 1 . . . . 19 LYS CD . 7285 1 223 . 1 1 20 20 LYS CE C 13 42.22 0.1 . 1 . . . . 19 LYS CE . 7285 1 224 . 1 1 20 20 LYS N N 15 129.1 0.1 . 1 . . . . 19 LYS N . 7285 1 225 . 1 1 21 21 VAL H H 1 8.62 0.01 . 1 . . . . 20 VAL H . 7285 1 226 . 1 1 21 21 VAL HA H 1 3.78 0.01 . 1 . . . . 20 VAL HA . 7285 1 227 . 1 1 21 21 VAL HB H 1 2.01 0.01 . 1 . . . . 20 VAL HB . 7285 1 228 . 1 1 21 21 VAL HG11 H 1 0.93 0.01 . 2 . . . . 20 VAL HG1 . 7285 1 229 . 1 1 21 21 VAL HG12 H 1 0.93 0.01 . 2 . . . . 20 VAL HG1 . 7285 1 230 . 1 1 21 21 VAL HG13 H 1 0.93 0.01 . 2 . . . . 20 VAL HG1 . 7285 1 231 . 1 1 21 21 VAL HG21 H 1 0.88 0.01 . 2 . . . . 20 VAL HG2 . 7285 1 232 . 1 1 21 21 VAL HG22 H 1 0.88 0.01 . 2 . . . . 20 VAL HG2 . 7285 1 233 . 1 1 21 21 VAL HG23 H 1 0.88 0.01 . 2 . . . . 20 VAL HG2 . 7285 1 234 . 1 1 21 21 VAL C C 13 176.8 0.1 . 1 . . . . 20 VAL C . 7285 1 235 . 1 1 21 21 VAL CA C 13 63.62 0.1 . 1 . . . . 20 VAL CA . 7285 1 236 . 1 1 21 21 VAL CB C 13 31.48 0.1 . 1 . . . . 20 VAL CB . 7285 1 237 . 1 1 21 21 VAL CG1 C 13 21.59 0.1 . 1 . . . . 20 VAL CG1 . 7285 1 238 . 1 1 21 21 VAL CG2 C 13 21.59 0.1 . 1 . . . . 20 VAL CG2 . 7285 1 239 . 1 1 21 21 VAL N N 15 126.8 0.1 . 1 . . . . 20 VAL N . 7285 1 240 . 1 1 22 22 GLU H H 1 9.59 0.01 . 1 . . . . 21 GLU H . 7285 1 241 . 1 1 22 22 GLU HA H 1 4.65 0.01 . 1 . . . . 21 GLU HA . 7285 1 242 . 1 1 22 22 GLU HB2 H 1 1.92 0.01 . 2 . . . . 21 GLU HB2 . 7285 1 243 . 1 1 22 22 GLU HB3 H 1 2.45 0.01 . 2 . . . . 21 GLU HB3 . 7285 1 244 . 1 1 22 22 GLU HG2 H 1 2.38 0.01 . 1 . . . . 21 GLU HG2 . 7285 1 245 . 1 1 22 22 GLU HG3 H 1 2.38 0.01 . 1 . . . . 21 GLU HG3 . 7285 1 246 . 1 1 22 22 GLU C C 13 176.7 0.1 . 1 . . . . 21 GLU C . 7285 1 247 . 1 1 22 22 GLU CA C 13 56.85 0.1 . 1 . . . . 21 GLU CA . 7285 1 248 . 1 1 22 22 GLU CB C 13 31.48 0.1 . 1 . . . . 21 GLU CB . 7285 1 249 . 1 1 22 22 GLU CG C 13 35.47 0.1 . 1 . . . . 21 GLU CG . 7285 1 250 . 1 1 22 22 GLU N N 15 129.8 0.1 . 1 . . . . 21 GLU N . 7285 1 251 . 1 1 23 23 TYR H H 1 8.04 0.01 . 1 . . . . 22 TYR H . 7285 1 252 . 1 1 23 23 TYR HA H 1 4.78 0.01 . 1 . . . . 22 TYR HA . 7285 1 253 . 1 1 23 23 TYR HB2 H 1 2.65 0.01 . 2 . . . . 22 TYR HB2 . 7285 1 254 . 1 1 23 23 TYR HB3 H 1 3.18 0.01 . 2 . . . . 22 TYR HB3 . 7285 1 255 . 1 1 23 23 TYR HD1 H 1 6.61 0.01 . 1 . . . . 22 TYR HD1 . 7285 1 256 . 1 1 23 23 TYR HD2 H 1 6.61 0.01 . 1 . . . . 22 TYR HD2 . 7285 1 257 . 1 1 23 23 TYR HE1 H 1 6.13 0.01 . 1 . . . . 22 TYR HE1 . 7285 1 258 . 1 1 23 23 TYR HE2 H 1 6.13 0.01 . 1 . . . . 22 TYR HE2 . 7285 1 259 . 1 1 23 23 TYR C C 13 172.2 0.1 . 1 . . . . 22 TYR C . 7285 1 260 . 1 1 23 23 TYR CA C 13 57.70 0.1 . 1 . . . . 22 TYR CA . 7285 1 261 . 1 1 23 23 TYR CB C 13 41.39 0.1 . 1 . . . . 22 TYR CB . 7285 1 262 . 1 1 23 23 TYR CD1 C 13 132.8 0.1 . 1 . . . . 22 TYR CD1 . 7285 1 263 . 1 1 23 23 TYR CD2 C 13 132.8 0.1 . 1 . . . . 22 TYR CD2 . 7285 1 264 . 1 1 23 23 TYR CE1 C 13 118.0 0.1 . 1 . . . . 22 TYR CE1 . 7285 1 265 . 1 1 23 23 TYR CE2 C 13 118.0 0.1 . 1 . . . . 22 TYR CE2 . 7285 1 266 . 1 1 23 23 TYR N N 15 117.8 0.1 . 1 . . . . 22 TYR N . 7285 1 267 . 1 1 24 24 THR H H 1 7.69 0.01 . 1 . . . . 23 THR H . 7285 1 268 . 1 1 24 24 THR HA H 1 5.05 0.01 . 1 . . . . 23 THR HA . 7285 1 269 . 1 1 24 24 THR HB H 1 3.78 0.01 . 1 . . . . 23 THR HB . 7285 1 270 . 1 1 24 24 THR HG21 H 1 1.09 0.01 . 1 . . . . 23 THR HG2 . 7285 1 271 . 1 1 24 24 THR HG22 H 1 1.09 0.01 . 1 . . . . 23 THR HG2 . 7285 1 272 . 1 1 24 24 THR HG23 H 1 1.09 0.01 . 1 . . . . 23 THR HG2 . 7285 1 273 . 1 1 24 24 THR C C 13 172.4 0.1 . 1 . . . . 23 THR C . 7285 1 274 . 1 1 24 24 THR CA C 13 61.54 0.1 . 1 . . . . 23 THR CA . 7285 1 275 . 1 1 24 24 THR CB C 13 71.42 0.1 . 1 . . . . 23 THR CB . 7285 1 276 . 1 1 24 24 THR CG2 C 13 21.33 0.1 . 1 . . . . 23 THR CG2 . 7285 1 277 . 1 1 24 24 THR N N 15 119.7 0.1 . 1 . . . . 23 THR N . 7285 1 278 . 1 1 25 25 ASP H H 1 9.11 0.01 . 1 . . . . 24 ASP H . 7285 1 279 . 1 1 25 25 ASP HA H 1 4.63 0.01 . 1 . . . . 24 ASP HA . 7285 1 280 . 1 1 25 25 ASP HB2 H 1 2.70 0.01 . 2 . . . . 24 ASP HB2 . 7285 1 281 . 1 1 25 25 ASP HB3 H 1 3.28 0.01 . 2 . . . . 24 ASP HB3 . 7285 1 282 . 1 1 25 25 ASP C C 13 176.4 0.1 . 1 . . . . 24 ASP C . 7285 1 283 . 1 1 25 25 ASP CA C 13 52.41 0.1 . 1 . . . . 24 ASP CA . 7285 1 284 . 1 1 25 25 ASP CB C 13 42.04 0.1 . 1 . . . . 24 ASP CB . 7285 1 285 . 1 1 25 25 ASP N N 15 127.3 0.1 . 1 . . . . 24 ASP N . 7285 1 286 . 1 1 26 26 ALA H H 1 8.14 0.01 . 1 . . . . 25 ALA H . 7285 1 287 . 1 1 26 26 ALA HA H 1 3.99 0.01 . 1 . . . . 25 ALA HA . 7285 1 288 . 1 1 26 26 ALA HB1 H 1 1.36 0.01 . 1 . . . . 25 ALA HB . 7285 1 289 . 1 1 26 26 ALA HB2 H 1 1.36 0.01 . 1 . . . . 25 ALA HB . 7285 1 290 . 1 1 26 26 ALA HB3 H 1 1.36 0.01 . 1 . . . . 25 ALA HB . 7285 1 291 . 1 1 26 26 ALA C C 13 179.4 0.1 . 1 . . . . 25 ALA C . 7285 1 292 . 1 1 26 26 ALA CA C 13 54.49 0.1 . 1 . . . . 25 ALA CA . 7285 1 293 . 1 1 26 26 ALA CB C 13 18.54 0.1 . 1 . . . . 25 ALA CB . 7285 1 294 . 1 1 26 26 ALA N N 15 118.1 0.1 . 1 . . . . 25 ALA N . 7285 1 295 . 1 1 27 27 SER H H 1 8.26 0.01 . 1 . . . . 26 SER H . 7285 1 296 . 1 1 27 27 SER HA H 1 4.09 0.01 . 1 . . . . 26 SER HA . 7285 1 297 . 1 1 27 27 SER HB2 H 1 4.13 0.01 . 2 . . . . 26 SER HB2 . 7285 1 298 . 1 1 27 27 SER HB3 H 1 3.72 0.01 . 2 . . . . 26 SER HB3 . 7285 1 299 . 1 1 27 27 SER C C 13 172.7 0.1 . 1 . . . . 26 SER C . 7285 1 300 . 1 1 27 27 SER CA C 13 60.13 0.1 . 1 . . . . 26 SER CA . 7285 1 301 . 1 1 27 27 SER CB C 13 63.57 0.1 . 1 . . . . 26 SER CB . 7285 1 302 . 1 1 27 27 SER N N 15 113.0 0.1 . 1 . . . . 26 SER N . 7285 1 303 . 1 1 28 28 GLY H H 1 7.40 0.01 . 1 . . . . 27 GLY H . 7285 1 304 . 1 1 28 28 GLY HA2 H 1 3.30 0.01 . 1 . . . . 27 GLY HA2 . 7285 1 305 . 1 1 28 28 GLY HA3 H 1 3.30 0.01 . 1 . . . . 27 GLY HA3 . 7285 1 306 . 1 1 28 28 GLY C C 13 170.0 0.1 . 1 . . . . 27 GLY C . 7285 1 307 . 1 1 28 28 GLY CA C 13 44.64 0.1 . 1 . . . . 27 GLY CA . 7285 1 308 . 1 1 28 28 GLY N N 15 107.2 0.1 . 1 . . . . 27 GLY N . 7285 1 309 . 1 1 29 29 GLN H H 1 8.17 0.01 . 1 . . . . 28 GLN H . 7285 1 310 . 1 1 29 29 GLN HA H 1 4.84 0.01 . 1 . . . . 28 GLN HA . 7285 1 311 . 1 1 29 29 GLN HB2 H 1 1.99 0.01 . 2 . . . . 28 GLN HB2 . 7285 1 312 . 1 1 29 29 GLN HB3 H 1 2.17 0.01 . 2 . . . . 28 GLN HB3 . 7285 1 313 . 1 1 29 29 GLN HG2 H 1 2.46 0.01 . 2 . . . . 28 GLN HG2 . 7285 1 314 . 1 1 29 29 GLN HG3 H 1 2.42 0.01 . 2 . . . . 28 GLN HG3 . 7285 1 315 . 1 1 29 29 GLN HE21 H 1 7.62 0.01 . 2 . . . . 28 GLN HE21 . 7285 1 316 . 1 1 29 29 GLN HE22 H 1 6.91 0.01 . 2 . . . . 28 GLN HE22 . 7285 1 317 . 1 1 29 29 GLN C C 13 174.9 0.1 . 1 . . . . 28 GLN C . 7285 1 318 . 1 1 29 29 GLN CA C 13 54.99 0.1 . 1 . . . . 28 GLN CA . 7285 1 319 . 1 1 29 29 GLN CB C 13 32.13 0.1 . 1 . . . . 28 GLN CB . 7285 1 320 . 1 1 29 29 GLN CG C 13 34.48 0.1 . 1 . . . . 28 GLN CG . 7285 1 321 . 1 1 29 29 GLN N N 15 116.9 0.1 . 1 . . . . 28 GLN N . 7285 1 322 . 1 1 29 29 GLN NE2 N 15 112.1 0.1 . 1 . . . . 28 GLN NE2 . 7285 1 323 . 1 1 30 30 TRP H H 1 9.05 0.01 . 1 . . . . 29 TRP H . 7285 1 324 . 1 1 30 30 TRP HA H 1 5.33 0.01 . 1 . . . . 29 TRP HA . 7285 1 325 . 1 1 30 30 TRP HB2 H 1 2.68 0.01 . 2 . . . . 29 TRP HB2 . 7285 1 326 . 1 1 30 30 TRP HB3 H 1 3.33 0.01 . 2 . . . . 29 TRP HB3 . 7285 1 327 . 1 1 30 30 TRP HD1 H 1 6.75 0.01 . 1 . . . . 29 TRP HD1 . 7285 1 328 . 1 1 30 30 TRP HE1 H 1 9.98 0.01 . 1 . . . . 29 TRP HE1 . 7285 1 329 . 1 1 30 30 TRP HE3 H 1 7.13 0.01 . 1 . . . . 29 TRP HE3 . 7285 1 330 . 1 1 30 30 TRP HZ2 H 1 7.52 0.01 . 1 . . . . 29 TRP HZ2 . 7285 1 331 . 1 1 30 30 TRP HZ3 H 1 6.02 0.01 . 1 . . . . 29 TRP HZ3 . 7285 1 332 . 1 1 30 30 TRP HH2 H 1 6.65 0.01 . 1 . . . . 29 TRP HH2 . 7285 1 333 . 1 1 30 30 TRP C C 13 176.3 0.1 . 1 . . . . 29 TRP C . 7285 1 334 . 1 1 30 30 TRP CA C 13 56.63 0.1 . 1 . . . . 29 TRP CA . 7285 1 335 . 1 1 30 30 TRP CB C 13 32.25 0.1 . 1 . . . . 29 TRP CB . 7285 1 336 . 1 1 30 30 TRP CD1 C 13 128.8 0.1 . 1 . . . . 29 TRP CD1 . 7285 1 337 . 1 1 30 30 TRP CE3 C 13 119.7 0.1 . 1 . . . . 29 TRP CE3 . 7285 1 338 . 1 1 30 30 TRP CZ2 C 13 114.2 0.1 . 1 . . . . 29 TRP CZ2 . 7285 1 339 . 1 1 30 30 TRP CZ3 C 13 119.7 0.1 . 1 . . . . 29 TRP CZ3 . 7285 1 340 . 1 1 30 30 TRP CH2 C 13 122.5 0.1 . 1 . . . . 29 TRP CH2 . 7285 1 341 . 1 1 30 30 TRP N N 15 121.0 0.1 . 1 . . . . 29 TRP N . 7285 1 342 . 1 1 30 30 TRP NE1 N 15 130.0 0.1 . 1 . . . . 29 TRP NE1 . 7285 1 343 . 1 1 31 31 GLY H H 1 9.42 0.01 . 1 . . . . 30 GLY H . 7285 1 344 . 1 1 31 31 GLY HA2 H 1 4.89 0.01 . 2 . . . . 30 GLY HA2 . 7285 1 345 . 1 1 31 31 GLY HA3 H 1 3.59 0.01 . 2 . . . . 30 GLY HA3 . 7285 1 346 . 1 1 31 31 GLY C C 13 171.4 0.1 . 1 . . . . 30 GLY C . 7285 1 347 . 1 1 31 31 GLY CA C 13 43.84 0.1 . 1 . . . . 30 GLY CA . 7285 1 348 . 1 1 31 31 GLY N N 15 110.9 0.1 . 1 . . . . 30 GLY N . 7285 1 349 . 1 1 32 32 VAL H H 1 8.78 0.01 . 1 . . . . 31 VAL H . 7285 1 350 . 1 1 32 32 VAL HA H 1 4.58 0.01 . 1 . . . . 31 VAL HA . 7285 1 351 . 1 1 32 32 VAL HB H 1 1.51 0.01 . 1 . . . . 31 VAL HB . 7285 1 352 . 1 1 32 32 VAL HG11 H 1 0.08 0.01 . 2 . . . . 31 VAL HG1 . 7285 1 353 . 1 1 32 32 VAL HG12 H 1 0.08 0.01 . 2 . . . . 31 VAL HG1 . 7285 1 354 . 1 1 32 32 VAL HG13 H 1 0.08 0.01 . 2 . . . . 31 VAL HG1 . 7285 1 355 . 1 1 32 32 VAL HG21 H 1 0.33 0.01 . 2 . . . . 31 VAL HG2 . 7285 1 356 . 1 1 32 32 VAL HG22 H 1 0.33 0.01 . 2 . . . . 31 VAL HG2 . 7285 1 357 . 1 1 32 32 VAL HG23 H 1 0.33 0.01 . 2 . . . . 31 VAL HG2 . 7285 1 358 . 1 1 32 32 VAL C C 13 175.9 0.1 . 1 . . . . 31 VAL C . 7285 1 359 . 1 1 32 32 VAL CA C 13 61.26 0.1 . 1 . . . . 31 VAL CA . 7285 1 360 . 1 1 32 32 VAL CB C 13 34.27 0.1 . 1 . . . . 31 VAL CB . 7285 1 361 . 1 1 32 32 VAL CG1 C 13 20.70 0.1 . 1 . . . . 31 VAL CG1 . 7285 1 362 . 1 1 32 32 VAL CG2 C 13 20.70 0.1 . 1 . . . . 31 VAL CG2 . 7285 1 363 . 1 1 32 32 VAL N N 15 118.1 0.1 . 1 . . . . 31 VAL N . 7285 1 364 . 1 1 33 33 GLN H H 1 8.72 0.01 . 1 . . . . 32 GLN H . 7285 1 365 . 1 1 33 33 GLN HA H 1 4.57 0.01 . 1 . . . . 32 GLN HA . 7285 1 366 . 1 1 33 33 GLN HB2 H 1 1.86 0.01 . 1 . . . . 32 GLN HB2 . 7285 1 367 . 1 1 33 33 GLN HB3 H 1 1.86 0.01 . 1 . . . . 32 GLN HB3 . 7285 1 368 . 1 1 33 33 GLN HG2 H 1 2.36 0.01 . 1 . . . . 32 GLN HG2 . 7285 1 369 . 1 1 33 33 GLN HG3 H 1 2.36 0.01 . 1 . . . . 32 GLN HG3 . 7285 1 370 . 1 1 33 33 GLN HE21 H 1 7.31 0.01 . 2 . . . . 32 GLN HE21 . 7285 1 371 . 1 1 33 33 GLN HE22 H 1 7.57 0.01 . 2 . . . . 32 GLN HE22 . 7285 1 372 . 1 1 33 33 GLN C C 13 175.9 0.1 . 1 . . . . 32 GLN C . 7285 1 373 . 1 1 33 33 GLN CA C 13 54.55 0.1 . 1 . . . . 32 GLN CA . 7285 1 374 . 1 1 33 33 GLN CB C 13 32.57 0.1 . 1 . . . . 32 GLN CB . 7285 1 375 . 1 1 33 33 GLN CG C 13 34.34 0.1 . 1 . . . . 32 GLN CG . 7285 1 376 . 1 1 33 33 GLN N N 15 124.2 0.1 . 1 . . . . 32 GLN N . 7285 1 377 . 1 1 33 33 GLN NE2 N 15 112.7 0.1 . 1 . . . . 32 GLN NE2 . 7285 1 378 . 1 1 34 34 ASN H H 1 9.58 0.01 . 1 . . . . 33 ASN H . 7285 1 379 . 1 1 34 34 ASN HA H 1 4.29 0.01 . 1 . . . . 33 ASN HA . 7285 1 380 . 1 1 34 34 ASN HB2 H 1 2.99 0.01 . 2 . . . . 33 ASN HB2 . 7285 1 381 . 1 1 34 34 ASN HB3 H 1 2.73 0.01 . 2 . . . . 33 ASN HB3 . 7285 1 382 . 1 1 34 34 ASN HD21 H 1 7.61 0.01 . 2 . . . . 33 ASN HD21 . 7285 1 383 . 1 1 34 34 ASN HD22 H 1 6.87 0.01 . 2 . . . . 33 ASN HD22 . 7285 1 384 . 1 1 34 34 ASN C C 13 175.5 0.1 . 1 . . . . 33 ASN C . 7285 1 385 . 1 1 34 34 ASN CA C 13 54.24 0.1 . 1 . . . . 33 ASN CA . 7285 1 386 . 1 1 34 34 ASN CB C 13 37.37 0.1 . 1 . . . . 33 ASN CB . 7285 1 387 . 1 1 34 34 ASN N N 15 130.0 0.1 . 1 . . . . 33 ASN N . 7285 1 388 . 1 1 34 34 ASN ND2 N 15 113.4 0.1 . 1 . . . . 33 ASN ND2 . 7285 1 389 . 1 1 35 35 GLY H H 1 8.48 0.01 . 1 . . . . 34 GLY H . 7285 1 390 . 1 1 35 35 GLY HA2 H 1 3.93 0.01 . 2 . . . . 34 GLY HA2 . 7285 1 391 . 1 1 35 35 GLY HA3 H 1 3.38 0.01 . 2 . . . . 34 GLY HA3 . 7285 1 392 . 1 1 35 35 GLY C C 13 173.3 0.1 . 1 . . . . 34 GLY C . 7285 1 393 . 1 1 35 35 GLY CA C 13 45.49 0.1 . 1 . . . . 34 GLY CA . 7285 1 394 . 1 1 35 35 GLY N N 15 102.8 0.1 . 1 . . . . 34 GLY N . 7285 1 395 . 1 1 36 36 GLN H H 1 7.58 0.01 . 1 . . . . 35 GLN H . 7285 1 396 . 1 1 36 36 GLN HA H 1 4.66 0.01 . 1 . . . . 35 GLN HA . 7285 1 397 . 1 1 36 36 GLN HB2 H 1 1.92 0.01 . 2 . . . . 35 GLN HB2 . 7285 1 398 . 1 1 36 36 GLN HB3 H 1 2.19 0.01 . 2 . . . . 35 GLN HB3 . 7285 1 399 . 1 1 36 36 GLN HG2 H 1 2.39 0.01 . 2 . . . . 35 GLN HG2 . 7285 1 400 . 1 1 36 36 GLN HG3 H 1 2.44 0.01 . 2 . . . . 35 GLN HG3 . 7285 1 401 . 1 1 36 36 GLN HE21 H 1 7.57 0.01 . 2 . . . . 35 GLN HE21 . 7285 1 402 . 1 1 36 36 GLN HE22 H 1 6.86 0.01 . 2 . . . . 35 GLN HE22 . 7285 1 403 . 1 1 36 36 GLN C C 13 174.6 0.1 . 1 . . . . 35 GLN C . 7285 1 404 . 1 1 36 36 GLN CA C 13 53.41 0.1 . 1 . . . . 35 GLN CA . 7285 1 405 . 1 1 36 36 GLN CB C 13 32.54 0.1 . 1 . . . . 35 GLN CB . 7285 1 406 . 1 1 36 36 GLN CG C 13 33.38 0.1 . 1 . . . . 35 GLN CG . 7285 1 407 . 1 1 36 36 GLN N N 15 119.1 0.1 . 1 . . . . 35 GLN N . 7285 1 408 . 1 1 36 36 GLN NE2 N 15 113.2 0.1 . 1 . . . . 35 GLN NE2 . 7285 1 409 . 1 1 37 37 TRP H H 1 8.42 0.01 . 1 . . . . 36 TRP H . 7285 1 410 . 1 1 37 37 TRP HA H 1 5.18 0.01 . 1 . . . . 36 TRP HA . 7285 1 411 . 1 1 37 37 TRP HB2 H 1 2.82 0.01 . 2 . . . . 36 TRP HB2 . 7285 1 412 . 1 1 37 37 TRP HB3 H 1 3.03 0.01 . 2 . . . . 36 TRP HB3 . 7285 1 413 . 1 1 37 37 TRP HD1 H 1 7.09 0.01 . 1 . . . . 36 TRP HD1 . 7285 1 414 . 1 1 37 37 TRP HE1 H 1 9.62 0.01 . 1 . . . . 36 TRP HE1 . 7285 1 415 . 1 1 37 37 TRP HE3 H 1 7.72 0.01 . 1 . . . . 36 TRP HE3 . 7285 1 416 . 1 1 37 37 TRP HZ2 H 1 7.05 0.01 . 1 . . . . 36 TRP HZ2 . 7285 1 417 . 1 1 37 37 TRP HZ3 H 1 6.65 0.01 . 1 . . . . 36 TRP HZ3 . 7285 1 418 . 1 1 37 37 TRP HH2 H 1 6.87 0.01 . 1 . . . . 36 TRP HH2 . 7285 1 419 . 1 1 37 37 TRP C C 13 175.8 0.1 . 1 . . . . 36 TRP C . 7285 1 420 . 1 1 37 37 TRP CA C 13 57.74 0.1 . 1 . . . . 36 TRP CA . 7285 1 421 . 1 1 37 37 TRP CB C 13 30.30 0.1 . 1 . . . . 36 TRP CB . 7285 1 422 . 1 1 37 37 TRP CD1 C 13 126.6 0.1 . 1 . . . . 36 TRP CD1 . 7285 1 423 . 1 1 37 37 TRP CE3 C 13 121.5 0.1 . 1 . . . . 36 TRP CE3 . 7285 1 424 . 1 1 37 37 TRP CZ2 C 13 114.1 0.1 . 1 . . . . 36 TRP CZ2 . 7285 1 425 . 1 1 37 37 TRP CZ3 C 13 121.3 0.1 . 1 . . . . 36 TRP CZ3 . 7285 1 426 . 1 1 37 37 TRP CH2 C 13 124.2 0.1 . 1 . . . . 36 TRP CH2 . 7285 1 427 . 1 1 37 37 TRP N N 15 123.8 0.1 . 1 . . . . 36 TRP N . 7285 1 428 . 1 1 37 37 TRP NE1 N 15 127.8 0.1 . 1 . . . . 36 TRP NE1 . 7285 1 429 . 1 1 38 38 CYS H H 1 9.58 0.01 . 1 . . . . 37 CYS H . 7285 1 430 . 1 1 38 38 CYS HA H 1 5.26 0.01 . 1 . . . . 37 CYS HA . 7285 1 431 . 1 1 38 38 CYS HB2 H 1 2.54 0.01 . 2 . . . . 37 CYS HB2 . 7285 1 432 . 1 1 38 38 CYS HB3 H 1 2.87 0.01 . 2 . . . . 37 CYS HB3 . 7285 1 433 . 1 1 38 38 CYS C C 13 172.7 0.1 . 1 . . . . 37 CYS C . 7285 1 434 . 1 1 38 38 CYS CA C 13 52.67 0.1 . 1 . . . . 37 CYS CA . 7285 1 435 . 1 1 38 38 CYS CB C 13 45.08 0.1 . 1 . . . . 37 CYS CB . 7285 1 436 . 1 1 38 38 CYS N N 15 116.9 0.1 . 1 . . . . 37 CYS N . 7285 1 437 . 1 1 39 39 GLY H H 1 8.51 0.01 . 1 . . . . 38 GLY H . 7285 1 438 . 1 1 39 39 GLY HA2 H 1 1.63 0.01 . 2 . . . . 38 GLY HA2 . 7285 1 439 . 1 1 39 39 GLY HA3 H 1 3.52 0.01 . 2 . . . . 38 GLY HA3 . 7285 1 440 . 1 1 39 39 GLY C C 13 172.2 0.1 . 1 . . . . 38 GLY C . 7285 1 441 . 1 1 39 39 GLY CA C 13 45.17 0.1 . 1 . . . . 38 GLY CA . 7285 1 442 . 1 1 39 39 GLY N N 15 108.9 0.1 . 1 . . . . 38 GLY N . 7285 1 443 . 1 1 40 40 ILE H H 1 8.84 0.01 . 1 . . . . 39 ILE H . 7285 1 444 . 1 1 40 40 ILE HA H 1 3.36 0.01 . 1 . . . . 39 ILE HA . 7285 1 445 . 1 1 40 40 ILE HB H 1 1.69 0.01 . 1 . . . . 39 ILE HB . 7285 1 446 . 1 1 40 40 ILE HG12 H 1 1.54 0.01 . 2 . . . . 39 ILE HG12 . 7285 1 447 . 1 1 40 40 ILE HG13 H 1 0.50 0.01 . 2 . . . . 39 ILE HG13 . 7285 1 448 . 1 1 40 40 ILE HG21 H 1 0.38 0.01 . 1 . . . . 39 ILE HG2 . 7285 1 449 . 1 1 40 40 ILE HG22 H 1 0.38 0.01 . 1 . . . . 39 ILE HG2 . 7285 1 450 . 1 1 40 40 ILE HG23 H 1 0.38 0.01 . 1 . . . . 39 ILE HG2 . 7285 1 451 . 1 1 40 40 ILE HD11 H 1 0.64 0.01 . 1 . . . . 39 ILE HD1 . 7285 1 452 . 1 1 40 40 ILE HD12 H 1 0.64 0.01 . 1 . . . . 39 ILE HD1 . 7285 1 453 . 1 1 40 40 ILE HD13 H 1 0.64 0.01 . 1 . . . . 39 ILE HD1 . 7285 1 454 . 1 1 40 40 ILE C C 13 173.9 0.1 . 1 . . . . 39 ILE C . 7285 1 455 . 1 1 40 40 ILE CA C 13 62.73 0.1 . 1 . . . . 39 ILE CA . 7285 1 456 . 1 1 40 40 ILE CB C 13 36.81 0.1 . 1 . . . . 39 ILE CB . 7285 1 457 . 1 1 40 40 ILE CG1 C 13 29.96 0.1 . 1 . . . . 39 ILE CG1 . 7285 1 458 . 1 1 40 40 ILE CG2 C 13 17.44 0.1 . 1 . . . . 39 ILE CG2 . 7285 1 459 . 1 1 40 40 ILE CD1 C 13 14.31 0.1 . 1 . . . . 39 ILE CD1 . 7285 1 460 . 1 1 40 40 ILE N N 15 128.4 0.1 . 1 . . . . 39 ILE N . 7285 1 461 . 1 1 41 41 ASP H H 1 8.73 0.01 . 1 . . . . 40 ASP H . 7285 1 462 . 1 1 41 41 ASP HA H 1 5.18 0.01 . 1 . . . . 40 ASP HA . 7285 1 463 . 1 1 41 41 ASP HB2 H 1 2.09 0.01 . 2 . . . . 40 ASP HB2 . 7285 1 464 . 1 1 41 41 ASP HB3 H 1 2.96 0.01 . 2 . . . . 40 ASP HB3 . 7285 1 465 . 1 1 41 41 ASP C C 13 177.8 0.1 . 1 . . . . 40 ASP C . 7285 1 466 . 1 1 41 41 ASP CA C 13 52.38 0.1 . 1 . . . . 40 ASP CA . 7285 1 467 . 1 1 41 41 ASP CB C 13 45.00 0.1 . 1 . . . . 40 ASP CB . 7285 1 468 . 1 1 41 41 ASP N N 15 131.7 0.1 . 1 . . . . 40 ASP N . 7285 1 469 . 1 1 42 42 TYR H H 1 9.01 0.01 . 1 . . . . 41 TYR H . 7285 1 470 . 1 1 42 42 TYR HA H 1 4.11 0.01 . 1 . . . . 41 TYR HA . 7285 1 471 . 1 1 42 42 TYR HB2 H 1 2.85 0.01 . 2 . . . . 41 TYR HB2 . 7285 1 472 . 1 1 42 42 TYR HB3 H 1 3.23 0.01 . 2 . . . . 41 TYR HB3 . 7285 1 473 . 1 1 42 42 TYR HD1 H 1 7.13 0.01 . 1 . . . . 41 TYR HD1 . 7285 1 474 . 1 1 42 42 TYR HD2 H 1 7.13 0.01 . 1 . . . . 41 TYR HD2 . 7285 1 475 . 1 1 42 42 TYR HE1 H 1 6.70 0.01 . 1 . . . . 41 TYR HE1 . 7285 1 476 . 1 1 42 42 TYR HE2 H 1 6.70 0.01 . 1 . . . . 41 TYR HE2 . 7285 1 477 . 1 1 42 42 TYR C C 13 176.6 0.1 . 1 . . . . 41 TYR C . 7285 1 478 . 1 1 42 42 TYR CA C 13 61.59 0.1 . 1 . . . . 41 TYR CA . 7285 1 479 . 1 1 42 42 TYR CB C 13 37.42 0.1 . 1 . . . . 41 TYR CB . 7285 1 480 . 1 1 42 42 TYR CD1 C 13 132.1 0.1 . 1 . . . . 41 TYR CD1 . 7285 1 481 . 1 1 42 42 TYR CD2 C 13 132.1 0.1 . 1 . . . . 41 TYR CD2 . 7285 1 482 . 1 1 42 42 TYR CE1 C 13 118.1 0.1 . 1 . . . . 41 TYR CE1 . 7285 1 483 . 1 1 42 42 TYR CE2 C 13 118.1 0.1 . 1 . . . . 41 TYR CE2 . 7285 1 484 . 1 1 42 42 TYR N N 15 124.5 0.1 . 1 . . . . 41 TYR N . 7285 1 485 . 1 1 43 43 SER H H 1 9.03 0.01 . 1 . . . . 42 SER H . 7285 1 486 . 1 1 43 43 SER HA H 1 4.54 0.01 . 1 . . . . 42 SER HA . 7285 1 487 . 1 1 43 43 SER HB2 H 1 3.96 0.01 . 2 . . . . 42 SER HB2 . 7285 1 488 . 1 1 43 43 SER HB3 H 1 4.03 0.01 . 2 . . . . 42 SER HB3 . 7285 1 489 . 1 1 43 43 SER C C 13 174.1 0.1 . 1 . . . . 42 SER C . 7285 1 490 . 1 1 43 43 SER CA C 13 59.29 0.1 . 1 . . . . 42 SER CA . 7285 1 491 . 1 1 43 43 SER CB C 13 64.08 0.1 . 1 . . . . 42 SER CB . 7285 1 492 . 1 1 43 43 SER N N 15 116.0 0.1 . 1 . . . . 42 SER N . 7285 1 493 . 1 1 44 44 TYR H H 1 7.90 0.01 . 1 . . . . 43 TYR H . 7285 1 494 . 1 1 44 44 TYR HA H 1 4.54 0.01 . 1 . . . . 43 TYR HA . 7285 1 495 . 1 1 44 44 TYR HB2 H 1 3.06 0.01 . 2 . . . . 43 TYR HB2 . 7285 1 496 . 1 1 44 44 TYR HB3 H 1 3.14 0.01 . 2 . . . . 43 TYR HB3 . 7285 1 497 . 1 1 44 44 TYR HD1 H 1 7.08 0.01 . 1 . . . . 43 TYR HD1 . 7285 1 498 . 1 1 44 44 TYR HD2 H 1 7.08 0.01 . 1 . . . . 43 TYR HD2 . 7285 1 499 . 1 1 44 44 TYR HE1 H 1 6.71 0.01 . 1 . . . . 43 TYR HE1 . 7285 1 500 . 1 1 44 44 TYR HE2 H 1 6.71 0.01 . 1 . . . . 43 TYR HE2 . 7285 1 501 . 1 1 44 44 TYR C C 13 175.8 0.1 . 1 . . . . 43 TYR C . 7285 1 502 . 1 1 44 44 TYR CA C 13 58.74 0.1 . 1 . . . . 43 TYR CA . 7285 1 503 . 1 1 44 44 TYR CB C 13 39.89 0.1 . 1 . . . . 43 TYR CB . 7285 1 504 . 1 1 44 44 TYR CD1 C 13 133.3 0.1 . 1 . . . . 43 TYR CD1 . 7285 1 505 . 1 1 44 44 TYR CD2 C 13 133.3 0.1 . 1 . . . . 43 TYR CD2 . 7285 1 506 . 1 1 44 44 TYR CE1 C 13 118.0 0.1 . 1 . . . . 43 TYR CE1 . 7285 1 507 . 1 1 44 44 TYR CE2 C 13 118.0 0.1 . 1 . . . . 43 TYR CE2 . 7285 1 508 . 1 1 44 44 TYR N N 15 125.0 0.1 . 1 . . . . 43 TYR N . 7285 1 509 . 1 1 45 45 GLY H H 1 7.76 0.01 . 1 . . . . 44 GLY H . 7285 1 510 . 1 1 45 45 GLY HA2 H 1 3.59 0.01 . 2 . . . . 44 GLY HA2 . 7285 1 511 . 1 1 45 45 GLY HA3 H 1 3.87 0.01 . 2 . . . . 44 GLY HA3 . 7285 1 512 . 1 1 45 45 GLY C C 13 174.3 0.1 . 1 . . . . 44 GLY C . 7285 1 513 . 1 1 45 45 GLY CA C 13 45.46 0.1 . 1 . . . . 44 GLY CA . 7285 1 514 . 1 1 45 45 GLY N N 15 112.6 0.1 . 1 . . . . 44 GLY N . 7285 1 515 . 1 1 46 46 GLN H H 1 7.97 0.01 . 1 . . . . 45 GLN H . 7285 1 516 . 1 1 46 46 GLN HA H 1 4.23 0.01 . 1 . . . . 45 GLN HA . 7285 1 517 . 1 1 46 46 GLN HB2 H 1 1.93 0.01 . 2 . . . . 45 GLN HB2 . 7285 1 518 . 1 1 46 46 GLN HB3 H 1 2.09 0.01 . 2 . . . . 45 GLN HB3 . 7285 1 519 . 1 1 46 46 GLN HG2 H 1 2.23 0.01 . 2 . . . . 45 GLN HG2 . 7285 1 520 . 1 1 46 46 GLN HG3 H 1 2.30 0.01 . 2 . . . . 45 GLN HG3 . 7285 1 521 . 1 1 46 46 GLN HE21 H 1 6.83 0.01 . 2 . . . . 45 GLN HE21 . 7285 1 522 . 1 1 46 46 GLN HE22 H 1 7.52 0.01 . 2 . . . . 45 GLN HE22 . 7285 1 523 . 1 1 46 46 GLN C C 13 175.8 0.1 . 1 . . . . 45 GLN C . 7285 1 524 . 1 1 46 46 GLN CA C 13 55.80 0.1 . 1 . . . . 45 GLN CA . 7285 1 525 . 1 1 46 46 GLN CB C 13 29.53 0.1 . 1 . . . . 45 GLN CB . 7285 1 526 . 1 1 46 46 GLN CG C 13 33.79 0.1 . 1 . . . . 45 GLN CG . 7285 1 527 . 1 1 46 46 GLN N N 15 119.1 0.1 . 1 . . . . 45 GLN N . 7285 1 528 . 1 1 46 46 GLN NE2 N 15 112.1 0.1 . 1 . . . . 45 GLN NE2 . 7285 1 529 . 1 1 47 47 ASN H H 1 8.53 0.01 . 1 . . . . 46 ASN H . 7285 1 530 . 1 1 47 47 ASN HA H 1 4.68 0.01 . 1 . . . . 46 ASN HA . 7285 1 531 . 1 1 47 47 ASN HB2 H 1 2.72 0.01 . 2 . . . . 46 ASN HB2 . 7285 1 532 . 1 1 47 47 ASN HB3 H 1 2.79 0.01 . 2 . . . . 46 ASN HB3 . 7285 1 533 . 1 1 47 47 ASN HD21 H 1 6.90 0.01 . 2 . . . . 46 ASN HD21 . 7285 1 534 . 1 1 47 47 ASN HD22 H 1 7.57 0.01 . 2 . . . . 46 ASN HD22 . 7285 1 535 . 1 1 47 47 ASN C C 13 175.2 0.1 . 1 . . . . 46 ASN C . 7285 1 536 . 1 1 47 47 ASN CA C 13 53.43 0.1 . 1 . . . . 46 ASN CA . 7285 1 537 . 1 1 47 47 ASN CB C 13 38.97 0.1 . 1 . . . . 46 ASN CB . 7285 1 538 . 1 1 47 47 ASN N N 15 119.8 0.1 . 1 . . . . 46 ASN N . 7285 1 539 . 1 1 47 47 ASN ND2 N 15 113.0 0.1 . 1 . . . . 46 ASN ND2 . 7285 1 540 . 1 1 48 48 GLN H H 1 8.40 0.01 . 1 . . . . 47 GLN H . 7285 1 541 . 1 1 48 48 GLN HA H 1 4.30 0.01 . 1 . . . . 47 GLN HA . 7285 1 542 . 1 1 48 48 GLN HB2 H 1 1.90 0.01 . 2 . . . . 47 GLN HB2 . 7285 1 543 . 1 1 48 48 GLN HB3 H 1 2.10 0.01 . 2 . . . . 47 GLN HB3 . 7285 1 544 . 1 1 48 48 GLN HG2 H 1 2.29 0.01 . 1 . . . . 47 GLN HG2 . 7285 1 545 . 1 1 48 48 GLN HG3 H 1 2.29 0.01 . 1 . . . . 47 GLN HG3 . 7285 1 546 . 1 1 48 48 GLN HE21 H 1 6.80 0.01 . 2 . . . . 47 GLN HE21 . 7285 1 547 . 1 1 48 48 GLN HE22 H 1 7.42 0.01 . 2 . . . . 47 GLN HE22 . 7285 1 548 . 1 1 48 48 GLN C C 13 176.5 0.1 . 1 . . . . 47 GLN C . 7285 1 549 . 1 1 48 48 GLN CA C 13 56.12 0.1 . 1 . . . . 47 GLN CA . 7285 1 550 . 1 1 48 48 GLN CB C 13 29.48 0.1 . 1 . . . . 47 GLN CB . 7285 1 551 . 1 1 48 48 GLN CG C 13 33.99 0.1 . 1 . . . . 47 GLN CG . 7285 1 552 . 1 1 48 48 GLN N N 15 120.5 0.1 . 1 . . . . 47 GLN N . 7285 1 553 . 1 1 48 48 GLN NE2 N 15 112.1 0.1 . 1 . . . . 47 GLN NE2 . 7285 1 554 . 1 1 49 49 GLY H H 1 8.45 0.01 . 1 . . . . 48 GLY H . 7285 1 555 . 1 1 49 49 GLY HA2 H 1 3.93 0.01 . 1 . . . . 48 GLY HA2 . 7285 1 556 . 1 1 49 49 GLY HA3 H 1 3.93 0.01 . 1 . . . . 48 GLY HA3 . 7285 1 557 . 1 1 49 49 GLY C C 13 174.2 0.1 . 1 . . . . 48 GLY C . 7285 1 558 . 1 1 49 49 GLY CA C 13 45.45 0.1 . 1 . . . . 48 GLY CA . 7285 1 559 . 1 1 49 49 GLY N N 15 109.7 0.1 . 1 . . . . 48 GLY N . 7285 1 560 . 1 1 50 50 ASN H H 1 8.33 0.01 . 1 . . . . 49 ASN H . 7285 1 561 . 1 1 50 50 ASN HA H 1 4.79 0.01 . 1 . . . . 49 ASN HA . 7285 1 562 . 1 1 50 50 ASN HB2 H 1 2.72 0.01 . 2 . . . . 49 ASN HB2 . 7285 1 563 . 1 1 50 50 ASN HB3 H 1 2.81 0.01 . 2 . . . . 49 ASN HB3 . 7285 1 564 . 1 1 50 50 ASN C C 13 174.7 0.1 . 1 . . . . 49 ASN C . 7285 1 565 . 1 1 50 50 ASN CA C 13 53.51 0.1 . 1 . . . . 49 ASN CA . 7285 1 566 . 1 1 50 50 ASN CB C 13 38.97 0.1 . 1 . . . . 49 ASN CB . 7285 1 567 . 1 1 50 50 ASN N N 15 118.9 0.1 . 1 . . . . 49 ASN N . 7285 1 568 . 1 1 51 51 GLU H H 1 8.32 0.01 . 1 . . . . 50 GLU H . 7285 1 569 . 1 1 51 51 GLU HA H 1 4.44 0.01 . 1 . . . . 50 GLU HA . 7285 1 570 . 1 1 51 51 GLU HB2 H 1 1.89 0.01 . 2 . . . . 50 GLU HB2 . 7285 1 571 . 1 1 51 51 GLU HB3 H 1 2.08 0.01 . 2 . . . . 50 GLU HB3 . 7285 1 572 . 1 1 51 51 GLU HG2 H 1 2.19 0.01 . 2 . . . . 50 GLU HG2 . 7285 1 573 . 1 1 51 51 GLU HG3 H 1 2.27 0.01 . 2 . . . . 50 GLU HG3 . 7285 1 574 . 1 1 51 51 GLU C C 13 176.0 0.1 . 1 . . . . 50 GLU C . 7285 1 575 . 1 1 51 51 GLU CA C 13 56.13 0.1 . 1 . . . . 50 GLU CA . 7285 1 576 . 1 1 51 51 GLU CB C 13 30.65 0.1 . 1 . . . . 50 GLU CB . 7285 1 577 . 1 1 51 51 GLU CG C 13 36.24 0.1 . 1 . . . . 50 GLU CG . 7285 1 578 . 1 1 51 51 GLU N N 15 120.2 0.1 . 1 . . . . 50 GLU N . 7285 1 579 . 1 1 52 52 SER H H 1 8.21 0.01 . 1 . . . . 51 SER H . 7285 1 580 . 1 1 52 52 SER HA H 1 4.56 0.01 . 1 . . . . 51 SER HA . 7285 1 581 . 1 1 52 52 SER HB2 H 1 3.88 0.01 . 2 . . . . 51 SER HB2 . 7285 1 582 . 1 1 52 52 SER HB3 H 1 3.84 0.01 . 2 . . . . 51 SER HB3 . 7285 1 583 . 1 1 52 52 SER C C 13 174.1 0.1 . 1 . . . . 51 SER C . 7285 1 584 . 1 1 52 52 SER CA C 13 58.05 0.1 . 1 . . . . 51 SER CA . 7285 1 585 . 1 1 52 52 SER CB C 13 64.07 0.1 . 1 . . . . 51 SER CB . 7285 1 586 . 1 1 52 52 SER N N 15 116.4 0.1 . 1 . . . . 51 SER N . 7285 1 587 . 1 1 53 53 CYS H H 1 8.70 0.01 . 1 . . . . 52 CYS H . 7285 1 588 . 1 1 53 53 CYS HA H 1 4.95 0.01 . 1 . . . . 52 CYS HA . 7285 1 589 . 1 1 53 53 CYS HB2 H 1 2.65 0.01 . 2 . . . . 52 CYS HB2 . 7285 1 590 . 1 1 53 53 CYS HB3 H 1 3.23 0.01 . 2 . . . . 52 CYS HB3 . 7285 1 591 . 1 1 53 53 CYS C C 13 172.6 0.1 . 1 . . . . 52 CYS C . 7285 1 592 . 1 1 53 53 CYS CA C 13 53.67 0.1 . 1 . . . . 52 CYS CA . 7285 1 593 . 1 1 53 53 CYS CB C 13 50.43 0.1 . 1 . . . . 52 CYS CB . 7285 1 594 . 1 1 53 53 CYS N N 15 117.7 0.1 . 1 . . . . 52 CYS N . 7285 1 595 . 1 1 54 54 THR H H 1 7.37 0.01 . 1 . . . . 53 THR H . 7285 1 596 . 1 1 54 54 THR HA H 1 3.63 0.01 . 1 . . . . 53 THR HA . 7285 1 597 . 1 1 54 54 THR HB H 1 2.85 0.01 . 1 . . . . 53 THR HB . 7285 1 598 . 1 1 54 54 THR HG21 H 1 -0.37 0.01 . 1 . . . . 53 THR HG2 . 7285 1 599 . 1 1 54 54 THR HG22 H 1 -0.37 0.01 . 1 . . . . 53 THR HG2 . 7285 1 600 . 1 1 54 54 THR HG23 H 1 -0.37 0.01 . 1 . . . . 53 THR HG2 . 7285 1 601 . 1 1 54 54 THR C C 13 173.7 0.1 . 1 . . . . 53 THR C . 7285 1 602 . 1 1 54 54 THR CA C 13 64.11 0.1 . 1 . . . . 53 THR CA . 7285 1 603 . 1 1 54 54 THR CB C 13 68.79 0.1 . 1 . . . . 53 THR CB . 7285 1 604 . 1 1 54 54 THR CG2 C 13 20.51 0.1 . 1 . . . . 53 THR CG2 . 7285 1 605 . 1 1 54 54 THR N N 15 116.3 0.1 . 1 . . . . 53 THR N . 7285 1 606 . 1 1 55 55 GLY H H 1 8.84 0.01 . 1 . . . . 54 GLY H . 7285 1 607 . 1 1 55 55 GLY HA2 H 1 3.90 0.01 . 2 . . . . 54 GLY HA2 . 7285 1 608 . 1 1 55 55 GLY HA3 H 1 4.50 0.01 . 2 . . . . 54 GLY HA3 . 7285 1 609 . 1 1 55 55 GLY C C 13 176.5 0.1 . 1 . . . . 54 GLY C . 7285 1 610 . 1 1 55 55 GLY CA C 13 45.35 0.1 . 1 . . . . 54 GLY CA . 7285 1 611 . 1 1 55 55 GLY N N 15 113.3 0.1 . 1 . . . . 54 GLY N . 7285 1 612 . 1 1 56 56 ASN H H 1 8.61 0.01 . 1 . . . . 55 ASN H . 7285 1 613 . 1 1 56 56 ASN HA H 1 4.69 0.01 . 1 . . . . 55 ASN HA . 7285 1 614 . 1 1 56 56 ASN HB2 H 1 2.84 0.01 . 2 . . . . 55 ASN HB2 . 7285 1 615 . 1 1 56 56 ASN HB3 H 1 3.14 0.01 . 2 . . . . 55 ASN HB3 . 7285 1 616 . 1 1 56 56 ASN HD21 H 1 6.96 0.01 . 2 . . . . 55 ASN HD21 . 7285 1 617 . 1 1 56 56 ASN HD22 H 1 7.65 0.01 . 2 . . . . 55 ASN HD22 . 7285 1 618 . 1 1 56 56 ASN C C 13 174.9 0.1 . 1 . . . . 55 ASN C . 7285 1 619 . 1 1 56 56 ASN CA C 13 54.72 0.1 . 1 . . . . 55 ASN CA . 7285 1 620 . 1 1 56 56 ASN CB C 13 38.05 0.1 . 1 . . . . 55 ASN CB . 7285 1 621 . 1 1 56 56 ASN N N 15 116.9 0.1 . 1 . . . . 55 ASN N . 7285 1 622 . 1 1 56 56 ASN ND2 N 15 113.4 0.1 . 1 . . . . 55 ASN ND2 . 7285 1 623 . 1 1 57 57 GLY H H 1 8.88 0.01 . 1 . . . . 56 GLY H . 7285 1 624 . 1 1 57 57 GLY HA2 H 1 3.78 0.01 . 2 . . . . 56 GLY HA2 . 7285 1 625 . 1 1 57 57 GLY HA3 H 1 4.49 0.01 . 2 . . . . 56 GLY HA3 . 7285 1 626 . 1 1 57 57 GLY C C 13 175.5 0.1 . 1 . . . . 56 GLY C . 7285 1 627 . 1 1 57 57 GLY CA C 13 45.09 0.1 . 1 . . . . 56 GLY CA . 7285 1 628 . 1 1 57 57 GLY N N 15 107.0 0.1 . 1 . . . . 56 GLY N . 7285 1 629 . 1 1 58 58 SER H H 1 8.08 0.01 . 1 . . . . 57 SER H . 7285 1 630 . 1 1 58 58 SER HA H 1 4.23 0.01 . 1 . . . . 57 SER HA . 7285 1 631 . 1 1 58 58 SER HB2 H 1 3.80 0.01 . 2 . . . . 57 SER HB2 . 7285 1 632 . 1 1 58 58 SER HB3 H 1 3.92 0.01 . 2 . . . . 57 SER HB3 . 7285 1 633 . 1 1 58 58 SER C C 13 174.2 0.1 . 1 . . . . 57 SER C . 7285 1 634 . 1 1 58 58 SER CA C 13 60.54 0.1 . 1 . . . . 57 SER CA . 7285 1 635 . 1 1 58 58 SER CB C 13 63.50 0.1 . 1 . . . . 57 SER CB . 7285 1 636 . 1 1 58 58 SER N N 15 117.0 0.1 . 1 . . . . 57 SER N . 7285 1 637 . 1 1 59 59 TYR H H 1 7.77 0.01 . 1 . . . . 58 TYR H . 7285 1 638 . 1 1 59 59 TYR HA H 1 4.85 0.01 . 1 . . . . 58 TYR HA . 7285 1 639 . 1 1 59 59 TYR HB2 H 1 2.70 0.01 . 2 . . . . 58 TYR HB2 . 7285 1 640 . 1 1 59 59 TYR HB3 H 1 3.35 0.01 . 2 . . . . 58 TYR HB3 . 7285 1 641 . 1 1 59 59 TYR HD1 H 1 7.38 0.01 . 1 . . . . 58 TYR HD1 . 7285 1 642 . 1 1 59 59 TYR HD2 H 1 7.38 0.01 . 1 . . . . 58 TYR HD2 . 7285 1 643 . 1 1 59 59 TYR HE1 H 1 6.91 0.01 . 1 . . . . 58 TYR HE1 . 7285 1 644 . 1 1 59 59 TYR HE2 H 1 6.91 0.01 . 1 . . . . 58 TYR HE2 . 7285 1 645 . 1 1 59 59 TYR C C 13 173.3 0.1 . 1 . . . . 58 TYR C . 7285 1 646 . 1 1 59 59 TYR CA C 13 55.88 0.1 . 1 . . . . 58 TYR CA . 7285 1 647 . 1 1 59 59 TYR CB C 13 40.28 0.1 . 1 . . . . 58 TYR CB . 7285 1 648 . 1 1 59 59 TYR CD1 C 13 133.6 0.1 . 1 . . . . 58 TYR CD1 . 7285 1 649 . 1 1 59 59 TYR CD2 C 13 133.6 0.1 . 1 . . . . 58 TYR CD2 . 7285 1 650 . 1 1 59 59 TYR CE1 C 13 118.4 0.1 . 1 . . . . 58 TYR CE1 . 7285 1 651 . 1 1 59 59 TYR CE2 C 13 118.4 0.1 . 1 . . . . 58 TYR CE2 . 7285 1 652 . 1 1 59 59 TYR N N 15 117.9 0.1 . 1 . . . . 58 TYR N . 7285 1 653 . 1 1 60 60 PRO HA H 1 4.46 0.01 . 1 . . . . 59 PRO HA . 7285 1 654 . 1 1 60 60 PRO HB2 H 1 1.81 0.01 . 2 . . . . 59 PRO HB2 . 7285 1 655 . 1 1 60 60 PRO HB3 H 1 2.35 0.01 . 2 . . . . 59 PRO HB3 . 7285 1 656 . 1 1 60 60 PRO HG2 H 1 2.02 0.01 . 2 . . . . 59 PRO HG2 . 7285 1 657 . 1 1 60 60 PRO HG3 H 1 2.11 0.01 . 2 . . . . 59 PRO HG3 . 7285 1 658 . 1 1 60 60 PRO HD2 H 1 3.85 0.01 . 2 . . . . 59 PRO HD2 . 7285 1 659 . 1 1 60 60 PRO HD3 H 1 4.12 0.01 . 2 . . . . 59 PRO HD3 . 7285 1 660 . 1 1 60 60 PRO C C 13 175.5 0.1 . 1 . . . . 59 PRO C . 7285 1 661 . 1 1 60 60 PRO CA C 13 62.52 0.1 . 1 . . . . 59 PRO CA . 7285 1 662 . 1 1 60 60 PRO CB C 13 32.20 0.1 . 1 . . . . 59 PRO CB . 7285 1 663 . 1 1 60 60 PRO CG C 13 27.57 0.1 . 1 . . . . 59 PRO CG . 7285 1 664 . 1 1 60 60 PRO CD C 13 50.69 0.1 . 1 . . . . 59 PRO CD . 7285 1 665 . 1 1 61 61 CYS H H 1 8.76 0.01 . 1 . . . . 60 CYS H . 7285 1 666 . 1 1 61 61 CYS HA H 1 5.74 0.01 . 1 . . . . 60 CYS HA . 7285 1 667 . 1 1 61 61 CYS HB2 H 1 2.78 0.01 . 2 . . . . 60 CYS HB2 . 7285 1 668 . 1 1 61 61 CYS HB3 H 1 2.93 0.01 . 2 . . . . 60 CYS HB3 . 7285 1 669 . 1 1 61 61 CYS C C 13 177.0 0.1 . 1 . . . . 60 CYS C . 7285 1 670 . 1 1 61 61 CYS CA C 13 51.44 0.1 . 1 . . . . 60 CYS CA . 7285 1 671 . 1 1 61 61 CYS CB C 13 38.53 0.1 . 1 . . . . 60 CYS CB . 7285 1 672 . 1 1 61 61 CYS N N 15 117.9 0.1 . 1 . . . . 60 CYS N . 7285 1 673 . 1 1 62 62 CYS H H 1 9.45 0.01 . 1 . . . . 61 CYS H . 7285 1 674 . 1 1 62 62 CYS HA H 1 4.58 0.01 . 1 . . . . 61 CYS HA . 7285 1 675 . 1 1 62 62 CYS HB2 H 1 2.82 0.01 . 2 . . . . 61 CYS HB2 . 7285 1 676 . 1 1 62 62 CYS HB3 H 1 3.17 0.01 . 2 . . . . 61 CYS HB3 . 7285 1 677 . 1 1 62 62 CYS C C 13 175.3 0.1 . 1 . . . . 61 CYS C . 7285 1 678 . 1 1 62 62 CYS CA C 13 53.51 0.1 . 1 . . . . 61 CYS CA . 7285 1 679 . 1 1 62 62 CYS CB C 13 39.90 0.1 . 1 . . . . 61 CYS CB . 7285 1 680 . 1 1 62 62 CYS N N 15 123.3 0.1 . 1 . . . . 61 CYS N . 7285 1 681 . 1 1 63 63 ASN H H 1 11.39 0.01 . 1 . . . . 62 ASN H . 7285 1 682 . 1 1 63 63 ASN HA H 1 4.62 0.01 . 1 . . . . 62 ASN HA . 7285 1 683 . 1 1 63 63 ASN HB2 H 1 2.71 0.01 . 2 . . . . 62 ASN HB2 . 7285 1 684 . 1 1 63 63 ASN HB3 H 1 2.87 0.01 . 2 . . . . 62 ASN HB3 . 7285 1 685 . 1 1 63 63 ASN HD21 H 1 6.98 0.01 . 2 . . . . 62 ASN HD21 . 7285 1 686 . 1 1 63 63 ASN HD22 H 1 7.59 0.01 . 2 . . . . 62 ASN HD22 . 7285 1 687 . 1 1 63 63 ASN C C 13 176.9 0.1 . 1 . . . . 62 ASN C . 7285 1 688 . 1 1 63 63 ASN CA C 13 55.77 0.1 . 1 . . . . 62 ASN CA . 7285 1 689 . 1 1 63 63 ASN CB C 13 39.09 0.1 . 1 . . . . 62 ASN CB . 7285 1 690 . 1 1 63 63 ASN N N 15 125.7 0.1 . 1 . . . . 62 ASN N . 7285 1 691 . 1 1 63 63 ASN ND2 N 15 114.6 0.1 . 1 . . . . 62 ASN ND2 . 7285 1 692 . 1 1 64 64 THR H H 1 8.53 0.01 . 1 . . . . 63 THR H . 7285 1 693 . 1 1 64 64 THR HA H 1 4.23 0.01 . 1 . . . . 63 THR HA . 7285 1 694 . 1 1 64 64 THR HB H 1 4.27 0.01 . 1 . . . . 63 THR HB . 7285 1 695 . 1 1 64 64 THR HG21 H 1 0.97 0.01 . 1 . . . . 63 THR HG2 . 7285 1 696 . 1 1 64 64 THR HG22 H 1 0.97 0.01 . 1 . . . . 63 THR HG2 . 7285 1 697 . 1 1 64 64 THR HG23 H 1 0.97 0.01 . 1 . . . . 63 THR HG2 . 7285 1 698 . 1 1 64 64 THR C C 13 172.8 0.1 . 1 . . . . 63 THR C . 7285 1 699 . 1 1 64 64 THR CA C 13 61.72 0.1 . 1 . . . . 63 THR CA . 7285 1 700 . 1 1 64 64 THR CB C 13 68.84 0.1 . 1 . . . . 63 THR CB . 7285 1 701 . 1 1 64 64 THR CG2 C 13 20.04 0.1 . 1 . . . . 63 THR CG2 . 7285 1 702 . 1 1 64 64 THR N N 15 115.1 0.1 . 1 . . . . 63 THR N . 7285 1 703 . 1 1 65 65 CYS H H 1 8.42 0.01 . 1 . . . . 64 CYS H . 7285 1 704 . 1 1 65 65 CYS HA H 1 5.17 0.01 . 1 . . . . 64 CYS HA . 7285 1 705 . 1 1 65 65 CYS HB2 H 1 2.60 0.01 . 2 . . . . 64 CYS HB2 . 7285 1 706 . 1 1 65 65 CYS HB3 H 1 3.43 0.01 . 2 . . . . 64 CYS HB3 . 7285 1 707 . 1 1 65 65 CYS C C 13 175.2 0.1 . 1 . . . . 64 CYS C . 7285 1 708 . 1 1 65 65 CYS CA C 13 53.17 0.1 . 1 . . . . 64 CYS CA . 7285 1 709 . 1 1 65 65 CYS CB C 13 37.32 0.1 . 1 . . . . 64 CYS CB . 7285 1 710 . 1 1 65 65 CYS N N 15 120.2 0.1 . 1 . . . . 64 CYS N . 7285 1 711 . 1 1 66 66 GLN H H 1 8.53 0.01 . 1 . . . . 65 GLN H . 7285 1 712 . 1 1 66 66 GLN HA H 1 4.33 0.01 . 1 . . . . 65 GLN HA . 7285 1 713 . 1 1 66 66 GLN HB2 H 1 1.90 0.01 . 2 . . . . 65 GLN HB2 . 7285 1 714 . 1 1 66 66 GLN HB3 H 1 1.99 0.01 . 2 . . . . 65 GLN HB3 . 7285 1 715 . 1 1 66 66 GLN HG2 H 1 2.17 0.01 . 2 . . . . 65 GLN HG2 . 7285 1 716 . 1 1 66 66 GLN HG3 H 1 2.21 0.01 . 2 . . . . 65 GLN HG3 . 7285 1 717 . 1 1 66 66 GLN HE21 H 1 6.88 0.01 . 2 . . . . 65 GLN HE21 . 7285 1 718 . 1 1 66 66 GLN HE22 H 1 7.61 0.01 . 2 . . . . 65 GLN HE22 . 7285 1 719 . 1 1 66 66 GLN C C 13 173.4 0.1 . 1 . . . . 65 GLN C . 7285 1 720 . 1 1 66 66 GLN CA C 13 54.97 0.1 . 1 . . . . 65 GLN CA . 7285 1 721 . 1 1 66 66 GLN CB C 13 28.48 0.1 . 1 . . . . 65 GLN CB . 7285 1 722 . 1 1 66 66 GLN CG C 13 33.78 0.1 . 1 . . . . 65 GLN CG . 7285 1 723 . 1 1 66 66 GLN N N 15 123.9 0.1 . 1 . . . . 65 GLN N . 7285 1 724 . 1 1 66 66 GLN NE2 N 15 113.1 0.1 . 1 . . . . 65 GLN NE2 . 7285 1 725 . 1 1 67 67 ALA H H 1 8.40 0.01 . 1 . . . . 66 ALA H . 7285 1 726 . 1 1 67 67 ALA HA H 1 4.23 0.01 . 1 . . . . 66 ALA HA . 7285 1 727 . 1 1 67 67 ALA HB1 H 1 1.41 0.01 . 1 . . . . 66 ALA HB . 7285 1 728 . 1 1 67 67 ALA HB2 H 1 1.41 0.01 . 1 . . . . 66 ALA HB . 7285 1 729 . 1 1 67 67 ALA HB3 H 1 1.41 0.01 . 1 . . . . 66 ALA HB . 7285 1 730 . 1 1 67 67 ALA C C 13 178.8 0.1 . 1 . . . . 66 ALA C . 7285 1 731 . 1 1 67 67 ALA CA C 13 52.69 0.1 . 1 . . . . 66 ALA CA . 7285 1 732 . 1 1 67 67 ALA CB C 13 20.52 0.1 . 1 . . . . 66 ALA CB . 7285 1 733 . 1 1 67 67 ALA N N 15 129.0 0.1 . 1 . . . . 66 ALA N . 7285 1 734 . 1 1 68 68 THR H H 1 9.39 0.01 . 1 . . . . 67 THR H . 7285 1 735 . 1 1 68 68 THR HA H 1 4.64 0.01 . 1 . . . . 67 THR HA . 7285 1 736 . 1 1 68 68 THR HB H 1 4.56 0.01 . 1 . . . . 67 THR HB . 7285 1 737 . 1 1 68 68 THR HG21 H 1 1.31 0.01 . 1 . . . . 67 THR HG2 . 7285 1 738 . 1 1 68 68 THR HG22 H 1 1.31 0.01 . 1 . . . . 67 THR HG2 . 7285 1 739 . 1 1 68 68 THR HG23 H 1 1.31 0.01 . 1 . . . . 67 THR HG2 . 7285 1 740 . 1 1 68 68 THR C C 13 176.6 0.1 . 1 . . . . 67 THR C . 7285 1 741 . 1 1 68 68 THR CA C 13 61.88 0.1 . 1 . . . . 67 THR CA . 7285 1 742 . 1 1 68 68 THR CB C 13 69.79 0.1 . 1 . . . . 67 THR CB . 7285 1 743 . 1 1 68 68 THR CG2 C 13 22.61 0.1 . 1 . . . . 67 THR CG2 . 7285 1 744 . 1 1 68 68 THR N N 15 111.6 0.1 . 1 . . . . 67 THR N . 7285 1 745 . 1 1 69 69 TYR H H 1 8.19 0.01 . 1 . . . . 68 TYR H . 7285 1 746 . 1 1 69 69 TYR HA H 1 4.83 0.01 . 1 . . . . 68 TYR HA . 7285 1 747 . 1 1 69 69 TYR HB2 H 1 2.61 0.01 . 2 . . . . 68 TYR HB2 . 7285 1 748 . 1 1 69 69 TYR HB3 H 1 3.33 0.01 . 2 . . . . 68 TYR HB3 . 7285 1 749 . 1 1 69 69 TYR HD1 H 1 6.82 0.01 . 1 . . . . 68 TYR HD1 . 7285 1 750 . 1 1 69 69 TYR HD2 H 1 6.82 0.01 . 1 . . . . 68 TYR HD2 . 7285 1 751 . 1 1 69 69 TYR HE1 H 1 6.47 0.01 . 1 . . . . 68 TYR HE1 . 7285 1 752 . 1 1 69 69 TYR HE2 H 1 6.47 0.01 . 1 . . . . 68 TYR HE2 . 7285 1 753 . 1 1 69 69 TYR C C 13 172.5 0.1 . 1 . . . . 68 TYR C . 7285 1 754 . 1 1 69 69 TYR CA C 13 58.48 0.1 . 1 . . . . 68 TYR CA . 7285 1 755 . 1 1 69 69 TYR CB C 13 42.30 0.1 . 1 . . . . 68 TYR CB . 7285 1 756 . 1 1 69 69 TYR CD1 C 13 132.6 0.1 . 1 . . . . 68 TYR CD1 . 7285 1 757 . 1 1 69 69 TYR CD2 C 13 132.6 0.1 . 1 . . . . 68 TYR CD2 . 7285 1 758 . 1 1 69 69 TYR CE1 C 13 117.8 0.1 . 1 . . . . 68 TYR CE1 . 7285 1 759 . 1 1 69 69 TYR CE2 C 13 117.8 0.1 . 1 . . . . 68 TYR CE2 . 7285 1 760 . 1 1 69 69 TYR N N 15 124.4 0.1 . 1 . . . . 68 TYR N . 7285 1 761 . 1 1 70 70 THR H H 1 7.59 0.01 . 1 . . . . 69 THR H . 7285 1 762 . 1 1 70 70 THR HA H 1 5.17 0.01 . 1 . . . . 69 THR HA . 7285 1 763 . 1 1 70 70 THR HB H 1 3.55 0.01 . 1 . . . . 69 THR HB . 7285 1 764 . 1 1 70 70 THR HG21 H 1 1.10 0.01 . 1 . . . . 69 THR HG2 . 7285 1 765 . 1 1 70 70 THR HG22 H 1 1.10 0.01 . 1 . . . . 69 THR HG2 . 7285 1 766 . 1 1 70 70 THR HG23 H 1 1.10 0.01 . 1 . . . . 69 THR HG2 . 7285 1 767 . 1 1 70 70 THR C C 13 172.3 0.1 . 1 . . . . 69 THR C . 7285 1 768 . 1 1 70 70 THR CA C 13 61.32 0.1 . 1 . . . . 69 THR CA . 7285 1 769 . 1 1 70 70 THR CB C 13 72.19 0.1 . 1 . . . . 69 THR CB . 7285 1 770 . 1 1 70 70 THR CG2 C 13 21.46 0.1 . 1 . . . . 69 THR CG2 . 7285 1 771 . 1 1 70 70 THR N N 15 123.8 0.1 . 1 . . . . 69 THR N . 7285 1 772 . 1 1 71 71 ASP H H 1 9.01 0.01 . 1 . . . . 70 ASP H . 7285 1 773 . 1 1 71 71 ASP HA H 1 4.56 0.01 . 1 . . . . 70 ASP HA . 7285 1 774 . 1 1 71 71 ASP HB2 H 1 2.58 0.01 . 2 . . . . 70 ASP HB2 . 7285 1 775 . 1 1 71 71 ASP HB3 H 1 3.10 0.01 . 2 . . . . 70 ASP HB3 . 7285 1 776 . 1 1 71 71 ASP C C 13 177.4 0.1 . 1 . . . . 70 ASP C . 7285 1 777 . 1 1 71 71 ASP CA C 13 52.40 0.1 . 1 . . . . 70 ASP CA . 7285 1 778 . 1 1 71 71 ASP CB C 13 41.60 0.1 . 1 . . . . 70 ASP CB . 7285 1 779 . 1 1 71 71 ASP N N 15 126.8 0.1 . 1 . . . . 70 ASP N . 7285 1 780 . 1 1 72 72 GLY H H 1 8.54 0.01 . 1 . . . . 71 GLY H . 7285 1 781 . 1 1 72 72 GLY HA2 H 1 3.81 0.01 . 2 . . . . 71 GLY HA2 . 7285 1 782 . 1 1 72 72 GLY HA3 H 1 4.75 0.01 . 2 . . . . 71 GLY HA3 . 7285 1 783 . 1 1 72 72 GLY C C 13 175.2 0.1 . 1 . . . . 71 GLY C . 7285 1 784 . 1 1 72 72 GLY CA C 13 46.70 0.1 . 1 . . . . 71 GLY CA . 7285 1 785 . 1 1 72 72 GLY N N 15 105.8 0.1 . 1 . . . . 71 GLY N . 7285 1 786 . 1 1 73 73 ASP H H 1 8.33 0.01 . 1 . . . . 72 ASP H . 7285 1 787 . 1 1 73 73 ASP HA H 1 4.74 0.01 . 1 . . . . 72 ASP HA . 7285 1 788 . 1 1 73 73 ASP HB2 H 1 2.69 0.01 . 2 . . . . 72 ASP HB2 . 7285 1 789 . 1 1 73 73 ASP HB3 H 1 2.97 0.01 . 2 . . . . 72 ASP HB3 . 7285 1 790 . 1 1 73 73 ASP C C 13 175.5 0.1 . 1 . . . . 72 ASP C . 7285 1 791 . 1 1 73 73 ASP CA C 13 55.50 0.1 . 1 . . . . 72 ASP CA . 7285 1 792 . 1 1 73 73 ASP CB C 13 41.90 0.1 . 1 . . . . 72 ASP CB . 7285 1 793 . 1 1 73 73 ASP N N 15 119.1 0.1 . 1 . . . . 72 ASP N . 7285 1 794 . 1 1 74 74 GLY H H 1 7.82 0.01 . 1 . . . . 73 GLY H . 7285 1 795 . 1 1 74 74 GLY HA2 H 1 3.57 0.01 . 2 . . . . 73 GLY HA2 . 7285 1 796 . 1 1 74 74 GLY HA3 H 1 4.31 0.01 . 2 . . . . 73 GLY HA3 . 7285 1 797 . 1 1 74 74 GLY C C 13 170.2 0.1 . 1 . . . . 73 GLY C . 7285 1 798 . 1 1 74 74 GLY CA C 13 44.64 0.1 . 1 . . . . 73 GLY CA . 7285 1 799 . 1 1 74 74 GLY N N 15 108.6 0.1 . 1 . . . . 73 GLY N . 7285 1 800 . 1 1 75 75 ASP H H 1 7.90 0.01 . 1 . . . . 74 ASP H . 7285 1 801 . 1 1 75 75 ASP HA H 1 5.20 0.01 . 1 . . . . 74 ASP HA . 7285 1 802 . 1 1 75 75 ASP HB2 H 1 2.33 0.01 . 2 . . . . 74 ASP HB2 . 7285 1 803 . 1 1 75 75 ASP HB3 H 1 2.43 0.01 . 2 . . . . 74 ASP HB3 . 7285 1 804 . 1 1 75 75 ASP C C 13 172.9 0.1 . 1 . . . . 74 ASP C . 7285 1 805 . 1 1 75 75 ASP CA C 13 53.76 0.1 . 1 . . . . 74 ASP CA . 7285 1 806 . 1 1 75 75 ASP CB C 13 42.39 0.1 . 1 . . . . 74 ASP CB . 7285 1 807 . 1 1 75 75 ASP N N 15 118.9 0.1 . 1 . . . . 74 ASP N . 7285 1 808 . 1 1 76 76 TRP H H 1 9.45 0.01 . 1 . . . . 75 TRP H . 7285 1 809 . 1 1 76 76 TRP HA H 1 5.44 0.01 . 1 . . . . 75 TRP HA . 7285 1 810 . 1 1 76 76 TRP HB2 H 1 3.09 0.01 . 2 . . . . 75 TRP HB2 . 7285 1 811 . 1 1 76 76 TRP HB3 H 1 3.76 0.01 . 2 . . . . 75 TRP HB3 . 7285 1 812 . 1 1 76 76 TRP HD1 H 1 6.94 0.01 . 1 . . . . 75 TRP HD1 . 7285 1 813 . 1 1 76 76 TRP HE1 H 1 10.21 0.01 . 1 . . . . 75 TRP HE1 . 7285 1 814 . 1 1 76 76 TRP HE3 H 1 7.33 0.01 . 1 . . . . 75 TRP HE3 . 7285 1 815 . 1 1 76 76 TRP HZ2 H 1 7.22 0.01 . 1 . . . . 75 TRP HZ2 . 7285 1 816 . 1 1 76 76 TRP HZ3 H 1 6.00 0.01 . 1 . . . . 75 TRP HZ3 . 7285 1 817 . 1 1 76 76 TRP HH2 H 1 6.57 0.01 . 1 . . . . 75 TRP HH2 . 7285 1 818 . 1 1 76 76 TRP C C 13 175.3 0.1 . 1 . . . . 75 TRP C . 7285 1 819 . 1 1 76 76 TRP CA C 13 56.38 0.1 . 1 . . . . 75 TRP CA . 7285 1 820 . 1 1 76 76 TRP CB C 13 34.67 0.1 . 1 . . . . 75 TRP CB . 7285 1 821 . 1 1 76 76 TRP CD1 C 13 129.2 0.1 . 1 . . . . 75 TRP CD1 . 7285 1 822 . 1 1 76 76 TRP CE3 C 13 119.5 0.1 . 1 . . . . 75 TRP CE3 . 7285 1 823 . 1 1 76 76 TRP CZ2 C 13 114.8 0.1 . 1 . . . . 75 TRP CZ2 . 7285 1 824 . 1 1 76 76 TRP CZ3 C 13 120.4 0.1 . 1 . . . . 75 TRP CZ3 . 7285 1 825 . 1 1 76 76 TRP CH2 C 13 123.1 0.1 . 1 . . . . 75 TRP CH2 . 7285 1 826 . 1 1 76 76 TRP N N 15 123.0 0.1 . 1 . . . . 75 TRP N . 7285 1 827 . 1 1 76 76 TRP NE1 N 15 131.6 0.1 . 1 . . . . 75 TRP NE1 . 7285 1 828 . 1 1 77 77 ALA H H 1 9.38 0.01 . 1 . . . . 76 ALA H . 7285 1 829 . 1 1 77 77 ALA HA H 1 5.24 0.01 . 1 . . . . 76 ALA HA . 7285 1 830 . 1 1 77 77 ALA HB1 H 1 1.66 0.01 . 1 . . . . 76 ALA HB . 7285 1 831 . 1 1 77 77 ALA HB2 H 1 1.66 0.01 . 1 . . . . 76 ALA HB . 7285 1 832 . 1 1 77 77 ALA HB3 H 1 1.66 0.01 . 1 . . . . 76 ALA HB . 7285 1 833 . 1 1 77 77 ALA C C 13 173.5 0.1 . 1 . . . . 76 ALA C . 7285 1 834 . 1 1 77 77 ALA CA C 13 51.97 0.1 . 1 . . . . 76 ALA CA . 7285 1 835 . 1 1 77 77 ALA CB C 13 21.95 0.1 . 1 . . . . 76 ALA CB . 7285 1 836 . 1 1 77 77 ALA N N 15 122.7 0.1 . 1 . . . . 76 ALA N . 7285 1 837 . 1 1 78 78 PHE H H 1 7.81 0.01 . 1 . . . . 77 PHE H . 7285 1 838 . 1 1 78 78 PHE HA H 1 4.72 0.01 . 1 . . . . 77 PHE HA . 7285 1 839 . 1 1 78 78 PHE HB2 H 1 1.56 0.01 . 2 . . . . 77 PHE HB2 . 7285 1 840 . 1 1 78 78 PHE HB3 H 1 2.59 0.01 . 2 . . . . 77 PHE HB3 . 7285 1 841 . 1 1 78 78 PHE HD1 H 1 5.84 0.01 . 1 . . . . 77 PHE HD1 . 7285 1 842 . 1 1 78 78 PHE HD2 H 1 5.84 0.01 . 1 . . . . 77 PHE HD2 . 7285 1 843 . 1 1 78 78 PHE HE1 H 1 6.61 0.01 . 1 . . . . 77 PHE HE1 . 7285 1 844 . 1 1 78 78 PHE HE2 H 1 6.61 0.01 . 1 . . . . 77 PHE HE2 . 7285 1 845 . 1 1 78 78 PHE HZ H 1 6.70 0.01 . 1 . . . . 77 PHE HZ . 7285 1 846 . 1 1 78 78 PHE C C 13 174.4 0.1 . 1 . . . . 77 PHE C . 7285 1 847 . 1 1 78 78 PHE CA C 13 57.17 0.1 . 1 . . . . 77 PHE CA . 7285 1 848 . 1 1 78 78 PHE CB C 13 41.11 0.1 . 1 . . . . 77 PHE CB . 7285 1 849 . 1 1 78 78 PHE CD1 C 13 131.2 0.1 . 1 . . . . 77 PHE CD1 . 7285 1 850 . 1 1 78 78 PHE CD2 C 13 131.2 0.1 . 1 . . . . 77 PHE CD2 . 7285 1 851 . 1 1 78 78 PHE CE1 C 13 130.3 0.1 . 1 . . . . 77 PHE CE1 . 7285 1 852 . 1 1 78 78 PHE CE2 C 13 130.3 0.1 . 1 . . . . 77 PHE CE2 . 7285 1 853 . 1 1 78 78 PHE CZ C 13 129.0 0.1 . 1 . . . . 77 PHE CZ . 7285 1 854 . 1 1 78 78 PHE N N 15 120.6 0.1 . 1 . . . . 77 PHE N . 7285 1 855 . 1 1 79 79 GLU H H 1 8.21 0.01 . 1 . . . . 78 GLU H . 7285 1 856 . 1 1 79 79 GLU HA H 1 4.44 0.01 . 1 . . . . 78 GLU HA . 7285 1 857 . 1 1 79 79 GLU HB2 H 1 1.69 0.01 . 2 . . . . 78 GLU HB2 . 7285 1 858 . 1 1 79 79 GLU HB3 H 1 1.91 0.01 . 2 . . . . 78 GLU HB3 . 7285 1 859 . 1 1 79 79 GLU HG2 H 1 2.19 0.01 . 1 . . . . 78 GLU HG2 . 7285 1 860 . 1 1 79 79 GLU HG3 H 1 2.19 0.01 . 1 . . . . 78 GLU HG3 . 7285 1 861 . 1 1 79 79 GLU C C 13 175.4 0.1 . 1 . . . . 78 GLU C . 7285 1 862 . 1 1 79 79 GLU CA C 13 55.04 0.1 . 1 . . . . 78 GLU CA . 7285 1 863 . 1 1 79 79 GLU CB C 13 34.86 0.1 . 1 . . . . 78 GLU CB . 7285 1 864 . 1 1 79 79 GLU CG C 13 37.53 0.1 . 1 . . . . 78 GLU CG . 7285 1 865 . 1 1 79 79 GLU N N 15 125.9 0.1 . 1 . . . . 78 GLU N . 7285 1 866 . 1 1 80 80 ASN H H 1 9.32 0.01 . 1 . . . . 79 ASN H . 7285 1 867 . 1 1 80 80 ASN HA H 1 4.20 0.01 . 1 . . . . 79 ASN HA . 7285 1 868 . 1 1 80 80 ASN HB2 H 1 2.69 0.01 . 2 . . . . 79 ASN HB2 . 7285 1 869 . 1 1 80 80 ASN HB3 H 1 2.90 0.01 . 2 . . . . 79 ASN HB3 . 7285 1 870 . 1 1 80 80 ASN HD21 H 1 6.86 0.01 . 2 . . . . 79 ASN HD21 . 7285 1 871 . 1 1 80 80 ASN HD22 H 1 7.72 0.01 . 2 . . . . 79 ASN HD22 . 7285 1 872 . 1 1 80 80 ASN C C 13 175.5 0.1 . 1 . . . . 79 ASN C . 7285 1 873 . 1 1 80 80 ASN CA C 13 54.07 0.1 . 1 . . . . 79 ASN CA . 7285 1 874 . 1 1 80 80 ASN CB C 13 37.22 0.1 . 1 . . . . 79 ASN CB . 7285 1 875 . 1 1 80 80 ASN N N 15 122.1 0.1 . 1 . . . . 79 ASN N . 7285 1 876 . 1 1 80 80 ASN ND2 N 15 114.4 0.1 . 1 . . . . 79 ASN ND2 . 7285 1 877 . 1 1 81 81 GLY H H 1 8.19 0.01 . 1 . . . . 80 GLY H . 7285 1 878 . 1 1 81 81 GLY HA2 H 1 3.33 0.01 . 2 . . . . 80 GLY HA2 . 7285 1 879 . 1 1 81 81 GLY HA3 H 1 3.89 0.01 . 2 . . . . 80 GLY HA3 . 7285 1 880 . 1 1 81 81 GLY C C 13 172.9 0.1 . 1 . . . . 80 GLY C . 7285 1 881 . 1 1 81 81 GLY CA C 13 45.82 0.1 . 1 . . . . 80 GLY CA . 7285 1 882 . 1 1 81 81 GLY N N 15 102.2 0.1 . 1 . . . . 80 GLY N . 7285 1 883 . 1 1 82 82 ASN H H 1 6.99 0.01 . 1 . . . . 81 ASN H . 7285 1 884 . 1 1 82 82 ASN HA H 1 4.62 0.01 . 1 . . . . 81 ASN HA . 7285 1 885 . 1 1 82 82 ASN HB2 H 1 2.44 0.01 . 2 . . . . 81 ASN HB2 . 7285 1 886 . 1 1 82 82 ASN HB3 H 1 2.75 0.01 . 2 . . . . 81 ASN HB3 . 7285 1 887 . 1 1 82 82 ASN HD21 H 1 7.00 0.01 . 2 . . . . 81 ASN HD21 . 7285 1 888 . 1 1 82 82 ASN HD22 H 1 7.57 0.01 . 2 . . . . 81 ASN HD22 . 7285 1 889 . 1 1 82 82 ASN C C 13 172.9 0.1 . 1 . . . . 81 ASN C . 7285 1 890 . 1 1 82 82 ASN CA C 13 51.44 0.1 . 1 . . . . 81 ASN CA . 7285 1 891 . 1 1 82 82 ASN CB C 13 42.74 0.1 . 1 . . . . 81 ASN CB . 7285 1 892 . 1 1 82 82 ASN N N 15 117.4 0.1 . 1 . . . . 81 ASN N . 7285 1 893 . 1 1 82 82 ASN ND2 N 15 113.4 0.1 . 1 . . . . 81 ASN ND2 . 7285 1 894 . 1 1 83 83 TRP H H 1 8.18 0.01 . 1 . . . . 82 TRP H . 7285 1 895 . 1 1 83 83 TRP HA H 1 4.90 0.01 . 1 . . . . 82 TRP HA . 7285 1 896 . 1 1 83 83 TRP HB2 H 1 2.72 0.01 . 2 . . . . 82 TRP HB2 . 7285 1 897 . 1 1 83 83 TRP HB3 H 1 2.95 0.01 . 2 . . . . 82 TRP HB3 . 7285 1 898 . 1 1 83 83 TRP HD1 H 1 7.07 0.01 . 1 . . . . 82 TRP HD1 . 7285 1 899 . 1 1 83 83 TRP HE1 H 1 9.91 0.01 . 1 . . . . 82 TRP HE1 . 7285 1 900 . 1 1 83 83 TRP HE3 H 1 6.98 0.01 . 1 . . . . 82 TRP HE3 . 7285 1 901 . 1 1 83 83 TRP HZ2 H 1 7.31 0.01 . 1 . . . . 82 TRP HZ2 . 7285 1 902 . 1 1 83 83 TRP HZ3 H 1 6.99 0.01 . 1 . . . . 82 TRP HZ3 . 7285 1 903 . 1 1 83 83 TRP HH2 H 1 7.04 0.01 . 1 . . . . 82 TRP HH2 . 7285 1 904 . 1 1 83 83 TRP C C 13 175.8 0.1 . 1 . . . . 82 TRP C . 7285 1 905 . 1 1 83 83 TRP CA C 13 58.13 0.1 . 1 . . . . 82 TRP CA . 7285 1 906 . 1 1 83 83 TRP CB C 13 30.33 0.1 . 1 . . . . 82 TRP CB . 7285 1 907 . 1 1 83 83 TRP CD1 C 13 127.0 0.1 . 1 . . . . 82 TRP CD1 . 7285 1 908 . 1 1 83 83 TRP CZ2 C 13 114.6 0.1 . 1 . . . . 82 TRP CZ2 . 7285 1 909 . 1 1 83 83 TRP CZ3 C 13 121.8 0.1 . 1 . . . . 82 TRP CZ3 . 7285 1 910 . 1 1 83 83 TRP CH2 C 13 124.5 0.1 . 1 . . . . 82 TRP CH2 . 7285 1 911 . 1 1 83 83 TRP N N 15 121.5 0.1 . 1 . . . . 82 TRP N . 7285 1 912 . 1 1 83 83 TRP NE1 N 15 129.1 0.1 . 1 . . . . 82 TRP NE1 . 7285 1 913 . 1 1 84 84 CYS H H 1 9.77 0.01 . 1 . . . . 83 CYS H . 7285 1 914 . 1 1 84 84 CYS HA H 1 5.46 0.01 . 1 . . . . 83 CYS HA . 7285 1 915 . 1 1 84 84 CYS HB2 H 1 2.96 0.01 . 2 . . . . 83 CYS HB2 . 7285 1 916 . 1 1 84 84 CYS HB3 H 1 3.13 0.01 . 2 . . . . 83 CYS HB3 . 7285 1 917 . 1 1 84 84 CYS C C 13 173.7 0.1 . 1 . . . . 83 CYS C . 7285 1 918 . 1 1 84 84 CYS CA C 13 53.07 0.1 . 1 . . . . 83 CYS CA . 7285 1 919 . 1 1 84 84 CYS CB C 13 45.54 0.1 . 1 . . . . 83 CYS CB . 7285 1 920 . 1 1 84 84 CYS N N 15 118.1 0.1 . 1 . . . . 83 CYS N . 7285 1 921 . 1 1 85 85 GLY H H 1 9.41 0.01 . 1 . . . . 84 GLY H . 7285 1 922 . 1 1 85 85 GLY HA2 H 1 3.85 0.01 . 2 . . . . 84 GLY HA2 . 7285 1 923 . 1 1 85 85 GLY HA3 H 1 4.06 0.01 . 2 . . . . 84 GLY HA3 . 7285 1 924 . 1 1 85 85 GLY C C 13 173.5 0.1 . 1 . . . . 84 GLY C . 7285 1 925 . 1 1 85 85 GLY CA C 13 45.33 0.1 . 1 . . . . 84 GLY CA . 7285 1 926 . 1 1 85 85 GLY N N 15 107.8 0.1 . 1 . . . . 84 GLY N . 7285 1 927 . 1 1 86 86 ILE H H 1 7.58 0.01 . 1 . . . . 85 ILE H . 7285 1 928 . 1 1 86 86 ILE HA H 1 4.02 0.01 . 1 . . . . 85 ILE HA . 7285 1 929 . 1 1 86 86 ILE HB H 1 1.72 0.01 . 1 . . . . 85 ILE HB . 7285 1 930 . 1 1 86 86 ILE HG12 H 1 1.04 0.01 . 2 . . . . 85 ILE HG12 . 7285 1 931 . 1 1 86 86 ILE HG13 H 1 1.23 0.01 . 2 . . . . 85 ILE HG13 . 7285 1 932 . 1 1 86 86 ILE HG21 H 1 0.94 0.01 . 1 . . . . 85 ILE HG2 . 7285 1 933 . 1 1 86 86 ILE HG22 H 1 0.94 0.01 . 1 . . . . 85 ILE HG2 . 7285 1 934 . 1 1 86 86 ILE HG23 H 1 0.94 0.01 . 1 . . . . 85 ILE HG2 . 7285 1 935 . 1 1 86 86 ILE HD11 H 1 0.45 0.01 . 1 . . . . 85 ILE HD1 . 7285 1 936 . 1 1 86 86 ILE HD12 H 1 0.45 0.01 . 1 . . . . 85 ILE HD1 . 7285 1 937 . 1 1 86 86 ILE HD13 H 1 0.45 0.01 . 1 . . . . 85 ILE HD1 . 7285 1 938 . 1 1 86 86 ILE C C 13 177.9 0.1 . 1 . . . . 85 ILE C . 7285 1 939 . 1 1 86 86 ILE CA C 13 58.98 0.1 . 1 . . . . 85 ILE CA . 7285 1 940 . 1 1 86 86 ILE CB C 13 35.41 0.1 . 1 . . . . 85 ILE CB . 7285 1 941 . 1 1 86 86 ILE CG1 C 13 26.84 0.1 . 1 . . . . 85 ILE CG1 . 7285 1 942 . 1 1 86 86 ILE CG2 C 13 17.20 0.1 . 1 . . . . 85 ILE CG2 . 7285 1 943 . 1 1 86 86 ILE CD1 C 13 9.27 0.1 . 1 . . . . 85 ILE CD1 . 7285 1 944 . 1 1 86 86 ILE N N 15 128.8 0.1 . 1 . . . . 85 ILE N . 7285 1 945 . 1 1 87 87 LYS H H 1 9.63 0.01 . 1 . . . . 86 LYS H . 7285 1 946 . 1 1 87 87 LYS HA H 1 4.27 0.01 . 1 . . . . 86 LYS HA . 7285 1 947 . 1 1 87 87 LYS HB2 H 1 2.00 0.01 . 2 . . . . 86 LYS HB2 . 7285 1 948 . 1 1 87 87 LYS HB3 H 1 2.06 0.01 . 2 . . . . 86 LYS HB3 . 7285 1 949 . 1 1 87 87 LYS HG2 H 1 1.64 0.01 . 2 . . . . 86 LYS HG2 . 7285 1 950 . 1 1 87 87 LYS HG3 H 1 1.69 0.01 . 2 . . . . 86 LYS HG3 . 7285 1 951 . 1 1 87 87 LYS HD2 H 1 1.43 0.01 . 2 . . . . 86 LYS HD2 . 7285 1 952 . 1 1 87 87 LYS HD3 H 1 1.61 0.01 . 2 . . . . 86 LYS HD3 . 7285 1 953 . 1 1 87 87 LYS HE2 H 1 2.86 0.01 . 2 . . . . 86 LYS HE2 . 7285 1 954 . 1 1 87 87 LYS HE3 H 1 2.95 0.01 . 2 . . . . 86 LYS HE3 . 7285 1 955 . 1 1 87 87 LYS C C 13 178.4 0.1 . 1 . . . . 86 LYS C . 7285 1 956 . 1 1 87 87 LYS CA C 13 57.75 0.1 . 1 . . . . 86 LYS CA . 7285 1 957 . 1 1 87 87 LYS CB C 13 33.32 0.1 . 1 . . . . 86 LYS CB . 7285 1 958 . 1 1 87 87 LYS CG C 13 29.84 0.1 . 1 . . . . 86 LYS CG . 7285 1 959 . 1 1 87 87 LYS CD C 13 27.30 0.1 . 1 . . . . 86 LYS CD . 7285 1 960 . 1 1 87 87 LYS CE C 13 41.86 0.1 . 1 . . . . 86 LYS CE . 7285 1 961 . 1 1 87 87 LYS N N 15 130.1 0.1 . 1 . . . . 86 LYS N . 7285 1 962 . 1 1 88 88 ASN H H 1 8.49 0.01 . 1 . . . . 87 ASN H . 7285 1 963 . 1 1 88 88 ASN HA H 1 4.35 0.01 . 1 . . . . 87 ASN HA . 7285 1 964 . 1 1 88 88 ASN HB2 H 1 2.70 0.01 . 2 . . . . 87 ASN HB2 . 7285 1 965 . 1 1 88 88 ASN HB3 H 1 2.77 0.01 . 2 . . . . 87 ASN HB3 . 7285 1 966 . 1 1 88 88 ASN HD21 H 1 7.04 0.01 . 2 . . . . 87 ASN HD21 . 7285 1 967 . 1 1 88 88 ASN HD22 H 1 7.62 0.01 . 2 . . . . 87 ASN HD22 . 7285 1 968 . 1 1 88 88 ASN C C 13 177.6 0.1 . 1 . . . . 87 ASN C . 7285 1 969 . 1 1 88 88 ASN CA C 13 56.13 0.1 . 1 . . . . 87 ASN CA . 7285 1 970 . 1 1 88 88 ASN CB C 13 37.51 0.1 . 1 . . . . 87 ASN CB . 7285 1 971 . 1 1 88 88 ASN N N 15 123.0 0.1 . 1 . . . . 87 ASN N . 7285 1 972 . 1 1 88 88 ASN ND2 N 15 112.8 0.1 . 1 . . . . 87 ASN ND2 . 7285 1 973 . 1 1 89 89 SER H H 1 8.55 0.01 . 1 . . . . 88 SER H . 7285 1 974 . 1 1 89 89 SER HA H 1 4.21 0.01 . 1 . . . . 88 SER HA . 7285 1 975 . 1 1 89 89 SER HB2 H 1 3.85 0.01 . 2 . . . . 88 SER HB2 . 7285 1 976 . 1 1 89 89 SER HB3 H 1 4.02 0.01 . 2 . . . . 88 SER HB3 . 7285 1 977 . 1 1 89 89 SER C C 13 176.1 0.1 . 1 . . . . 88 SER C . 7285 1 978 . 1 1 89 89 SER CA C 13 59.69 0.1 . 1 . . . . 88 SER CA . 7285 1 979 . 1 1 89 89 SER CB C 13 62.23 0.1 . 1 . . . . 88 SER CB . 7285 1 980 . 1 1 89 89 SER N N 15 113.7 0.1 . 1 . . . . 88 SER N . 7285 1 981 . 1 1 90 90 CYS H H 1 7.66 0.01 . 1 . . . . 89 CYS H . 7285 1 982 . 1 1 90 90 CYS HA H 1 4.40 0.01 . 1 . . . . 89 CYS HA . 7285 1 983 . 1 1 90 90 CYS HB2 H 1 2.96 0.01 . 2 . . . . 89 CYS HB2 . 7285 1 984 . 1 1 90 90 CYS HB3 H 1 3.04 0.01 . 2 . . . . 89 CYS HB3 . 7285 1 985 . 1 1 90 90 CYS C C 13 175.7 0.1 . 1 . . . . 89 CYS C . 7285 1 986 . 1 1 90 90 CYS CA C 13 57.32 0.1 . 1 . . . . 89 CYS CA . 7285 1 987 . 1 1 90 90 CYS CB C 13 36.87 0.1 . 1 . . . . 89 CYS CB . 7285 1 988 . 1 1 90 90 CYS N N 15 120.4 0.1 . 1 . . . . 89 CYS N . 7285 1 989 . 1 1 91 91 LYS H H 1 7.64 0.01 . 1 . . . . 90 LYS H . 7285 1 990 . 1 1 91 91 LYS HA H 1 4.33 0.01 . 1 . . . . 90 LYS HA . 7285 1 991 . 1 1 91 91 LYS HB2 H 1 1.76 0.01 . 2 . . . . 90 LYS HB2 . 7285 1 992 . 1 1 91 91 LYS HB3 H 1 1.88 0.01 . 2 . . . . 90 LYS HB3 . 7285 1 993 . 1 1 91 91 LYS HG2 H 1 1.39 0.01 . 1 . . . . 90 LYS HG2 . 7285 1 994 . 1 1 91 91 LYS HG3 H 1 1.39 0.01 . 1 . . . . 90 LYS HG3 . 7285 1 995 . 1 1 91 91 LYS HD2 H 1 1.61 0.01 . 1 . . . . 90 LYS HD2 . 7285 1 996 . 1 1 91 91 LYS HD3 H 1 1.61 0.01 . 1 . . . . 90 LYS HD3 . 7285 1 997 . 1 1 91 91 LYS HE2 H 1 2.92 0.01 . 1 . . . . 90 LYS HE2 . 7285 1 998 . 1 1 91 91 LYS HE3 H 1 2.92 0.01 . 1 . . . . 90 LYS HE3 . 7285 1 999 . 1 1 91 91 LYS C C 13 176.2 0.1 . 1 . . . . 90 LYS C . 7285 1 1000 . 1 1 91 91 LYS CA C 13 56.41 0.1 . 1 . . . . 90 LYS CA . 7285 1 1001 . 1 1 91 91 LYS CB C 13 32.83 0.1 . 1 . . . . 90 LYS CB . 7285 1 1002 . 1 1 91 91 LYS CG C 13 24.63 0.1 . 1 . . . . 90 LYS CG . 7285 1 1003 . 1 1 91 91 LYS CD C 13 29.02 0.1 . 1 . . . . 90 LYS CD . 7285 1 1004 . 1 1 91 91 LYS CE C 13 42.18 0.1 . 1 . . . . 90 LYS CE . 7285 1 1005 . 1 1 91 91 LYS N N 15 118.3 0.1 . 1 . . . . 90 LYS N . 7285 1 1006 . 1 1 92 92 GLN H H 1 7.87 0.01 . 1 . . . . 91 GLN H . 7285 1 1007 . 1 1 92 92 GLN HA H 1 4.30 0.01 . 1 . . . . 91 GLN HA . 7285 1 1008 . 1 1 92 92 GLN HB2 H 1 2.08 0.01 . 1 . . . . 91 GLN HB2 . 7285 1 1009 . 1 1 92 92 GLN HB3 H 1 2.08 0.01 . 1 . . . . 91 GLN HB3 . 7285 1 1010 . 1 1 92 92 GLN HG2 H 1 2.31 0.01 . 1 . . . . 91 GLN HG2 . 7285 1 1011 . 1 1 92 92 GLN HG3 H 1 2.31 0.01 . 1 . . . . 91 GLN HG3 . 7285 1 1012 . 1 1 92 92 GLN HE21 H 1 6.82 0.01 . 2 . . . . 91 GLN HE21 . 7285 1 1013 . 1 1 92 92 GLN HE22 H 1 7.49 0.01 . 2 . . . . 91 GLN HE22 . 7285 1 1014 . 1 1 92 92 GLN C C 13 175.6 0.1 . 1 . . . . 91 GLN C . 7285 1 1015 . 1 1 92 92 GLN CA C 13 55.52 0.1 . 1 . . . . 91 GLN CA . 7285 1 1016 . 1 1 92 92 GLN CB C 13 29.47 0.1 . 1 . . . . 91 GLN CB . 7285 1 1017 . 1 1 92 92 GLN CG C 13 33.78 0.1 . 1 . . . . 91 GLN CG . 7285 1 1018 . 1 1 92 92 GLN N N 15 119.8 0.1 . 1 . . . . 91 GLN N . 7285 1 1019 . 1 1 92 92 GLN NE2 N 15 112.3 0.1 . 1 . . . . 91 GLN NE2 . 7285 1 1020 . 1 1 93 93 GLN H H 1 8.25 0.01 . 1 . . . . 92 GLN H . 7285 1 1021 . 1 1 93 93 GLN HA H 1 4.55 0.01 . 1 . . . . 92 GLN HA . 7285 1 1022 . 1 1 93 93 GLN HB2 H 1 1.88 0.01 . 2 . . . . 92 GLN HB2 . 7285 1 1023 . 1 1 93 93 GLN HB3 H 1 2.06 0.01 . 2 . . . . 92 GLN HB3 . 7285 1 1024 . 1 1 93 93 GLN HG2 H 1 2.35 0.01 . 1 . . . . 92 GLN HG2 . 7285 1 1025 . 1 1 93 93 GLN HG3 H 1 2.35 0.01 . 1 . . . . 92 GLN HG3 . 7285 1 1026 . 1 1 93 93 GLN HE21 H 1 6.79 0.01 . 2 . . . . 92 GLN HE21 . 7285 1 1027 . 1 1 93 93 GLN HE22 H 1 7.47 0.01 . 2 . . . . 92 GLN HE22 . 7285 1 1028 . 1 1 93 93 GLN C C 13 174.0 0.1 . 1 . . . . 92 GLN C . 7285 1 1029 . 1 1 93 93 GLN CA C 13 53.77 0.1 . 1 . . . . 92 GLN CA . 7285 1 1030 . 1 1 93 93 GLN CB C 13 28.72 0.1 . 1 . . . . 92 GLN CB . 7285 1 1031 . 1 1 93 93 GLN CG C 13 33.47 0.1 . 1 . . . . 92 GLN CG . 7285 1 1032 . 1 1 93 93 GLN N N 15 122.3 0.1 . 1 . . . . 92 GLN N . 7285 1 1033 . 1 1 93 93 GLN NE2 N 15 112.1 0.1 . 1 . . . . 92 GLN NE2 . 7285 1 1034 . 1 1 94 94 PRO HA H 1 4.34 0.01 . 1 . . . . 93 PRO HA . 7285 1 1035 . 1 1 94 94 PRO HB2 H 1 2.20 0.01 . 2 . . . . 93 PRO HB2 . 7285 1 1036 . 1 1 94 94 PRO HB3 H 1 1.83 0.01 . 2 . . . . 93 PRO HB3 . 7285 1 1037 . 1 1 94 94 PRO HG2 H 1 1.93 0.01 . 1 . . . . 93 PRO HG2 . 7285 1 1038 . 1 1 94 94 PRO HG3 H 1 1.93 0.01 . 1 . . . . 93 PRO HG3 . 7285 1 1039 . 1 1 94 94 PRO HD2 H 1 3.58 0.01 . 2 . . . . 93 PRO HD2 . 7285 1 1040 . 1 1 94 94 PRO HD3 H 1 3.68 0.01 . 2 . . . . 93 PRO HD3 . 7285 1 1041 . 1 1 94 94 PRO C C 13 176.9 0.1 . 1 . . . . 93 PRO C . 7285 1 1042 . 1 1 94 94 PRO CA C 13 63.24 0.1 . 1 . . . . 93 PRO CA . 7285 1 1043 . 1 1 94 94 PRO CB C 13 31.99 0.1 . 1 . . . . 93 PRO CB . 7285 1 1044 . 1 1 94 94 PRO CG C 13 27.36 0.1 . 1 . . . . 93 PRO CG . 7285 1 1045 . 1 1 94 94 PRO CD C 13 50.54 0.1 . 1 . . . . 93 PRO CD . 7285 1 1046 . 1 1 95 95 GLN H H 1 8.50 0.01 . 1 . . . . 94 GLN H . 7285 1 1047 . 1 1 95 95 GLN HA H 1 4.27 0.01 . 1 . . . . 94 GLN HA . 7285 1 1048 . 1 1 95 95 GLN HB2 H 1 2.06 0.01 . 1 . . . . 94 GLN HB2 . 7285 1 1049 . 1 1 95 95 GLN HB3 H 1 2.06 0.01 . 1 . . . . 94 GLN HB3 . 7285 1 1050 . 1 1 95 95 GLN HG2 H 1 2.34 0.01 . 1 . . . . 94 GLN HG2 . 7285 1 1051 . 1 1 95 95 GLN HG3 H 1 2.34 0.01 . 1 . . . . 94 GLN HG3 . 7285 1 1052 . 1 1 95 95 GLN C C 13 175.7 0.1 . 1 . . . . 94 GLN C . 7285 1 1053 . 1 1 95 95 GLN CA C 13 55.85 0.1 . 1 . . . . 94 GLN CA . 7285 1 1054 . 1 1 95 95 GLN CB C 13 29.67 0.1 . 1 . . . . 94 GLN CB . 7285 1 1055 . 1 1 95 95 GLN CG C 13 33.74 0.1 . 1 . . . . 94 GLN CG . 7285 1 1056 . 1 1 95 95 GLN N N 15 120.5 0.1 . 1 . . . . 94 GLN N . 7285 1 1057 . 1 1 96 96 ASN H H 1 8.41 0.01 . 1 . . . . 95 ASN H . 7285 1 1058 . 1 1 96 96 ASN HA H 1 4.67 0.01 . 1 . . . . 95 ASN HA . 7285 1 1059 . 1 1 96 96 ASN HB2 H 1 2.72 0.01 . 2 . . . . 95 ASN HB2 . 7285 1 1060 . 1 1 96 96 ASN HB3 H 1 2.80 0.01 . 2 . . . . 95 ASN HB3 . 7285 1 1061 . 1 1 96 96 ASN C C 13 174.9 0.1 . 1 . . . . 95 ASN C . 7285 1 1062 . 1 1 96 96 ASN CA C 13 54.30 0.1 . 1 . . . . 95 ASN CA . 7285 1 1063 . 1 1 96 96 ASN CB C 13 38.83 0.1 . 1 . . . . 95 ASN CB . 7285 1 1064 . 1 1 96 96 ASN N N 15 119.8 0.1 . 1 . . . . 95 ASN N . 7285 1 stop_ save_