data_7266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7266 _Entry.Title ; Chemical shift assignments for protein NE1680 from Nitrosomonas europaea: Northeast Structural Genomics Consortium target NeT5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-15 _Entry.Accession_date 2006-08-16 _Entry.Last_release_date 2006-09-05 _Entry.Original_release_date 2006-09-05 _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 John Cort . R. . 7266 2 Adelinda Yee . . . 7266 3 Cheryl Arrowsmith . H. . 7266 4 Michaeal Kennedy . A. . 7266 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . NESGC . 7266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 7266 '15N chemical shifts' 87 7266 '1H chemical shifts' 569 7266 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-09-05 2006-08-15 original author . 7266 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HFQ 'BMRB Entry Tracking System' 7266 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7266 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Chemical shift assignments for protein NE1680 from Nitrosomonas europaea: Northeast Structural Genomics Consortium target NeT5 ; _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Cort . R. . 7266 1 2 Theresa Ramelot . A. . 7266 1 3 Adelinda Yee . . . 7266 1 4 Cheryl Arrowsmith . H. . 7266 1 5 Michaeal Kennedy . A. . 7266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7266 _Assembly.ID 1 _Assembly.Name NE1680 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 NE1680 1 $NE1680 . . no native no no . . . 7266 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID unknown 7266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NE1680 _Entity.Sf_category entity _Entity.Sf_framecode NE1680 _Entity.Entry_ID 7266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NE1680 _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 ; MGSSHHHHHHSSGRENLYFQ GHMQIHVYDTYVKAKDGHVM HFDVFTDVRDDKKAIEFAKQ WLSSIGEEGATVTSEECRFC HSEKAPDEVIEAIKQNGYFI YKMEGCNGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The construct has a non-native 22-residue N-term tag sequence (MGSSHHHHHHSSGRENLYFQGH), and a two-residue C-term cloning artifact (GS). ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The native protein is 85 residues in length, the construct has a total of 24 additional, non-native, residues. ; _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 PDB 2HFQ . "Nmr Structure Of Protein Ne1680 From Nitrosomonas Europaea: Northeast Structural Genomics Consortium Target Net5" . . . . . 100.00 109 100.00 100.00 2.07e-74 . . . . 7266 1 2 no EMBL CAD85591 . "conserved hypothetical protein [Nitrosomonas europaea ATCC 19718]" . . . . . 77.98 85 98.82 100.00 3.34e-55 . . . . 7266 1 3 no REF NP_841712 . "hypothetical protein NE1680 [Nitrosomonas europaea ATCC 19718]" . . . . . 77.98 85 98.82 100.00 3.34e-55 . . . . 7266 1 4 no REF WP_011112234 . "hypothetical protein [Nitrosomonas europaea]" . . . . . 77.98 85 98.82 100.00 3.34e-55 . . . . 7266 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 7266 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID NE1680 . 7266 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 -21 MET . 7266 1 2 -20 GLY . 7266 1 3 -19 SER . 7266 1 4 -18 SER . 7266 1 5 -17 HIS . 7266 1 6 -16 HIS . 7266 1 7 -15 HIS . 7266 1 8 -14 HIS . 7266 1 9 -13 HIS . 7266 1 10 -12 HIS . 7266 1 11 -11 SER . 7266 1 12 -10 SER . 7266 1 13 -9 GLY . 7266 1 14 -8 ARG . 7266 1 15 -7 GLU . 7266 1 16 -6 ASN . 7266 1 17 -5 LEU . 7266 1 18 -4 TYR . 7266 1 19 -3 PHE . 7266 1 20 -2 GLN . 7266 1 21 -1 GLY . 7266 1 22 0 HIS . 7266 1 23 1 MET . 7266 1 24 2 GLN . 7266 1 25 3 ILE . 7266 1 26 4 HIS . 7266 1 27 5 VAL . 7266 1 28 6 TYR . 7266 1 29 7 ASP . 7266 1 30 8 THR . 7266 1 31 9 TYR . 7266 1 32 10 VAL . 7266 1 33 11 LYS . 7266 1 34 12 ALA . 7266 1 35 13 LYS . 7266 1 36 14 ASP . 7266 1 37 15 GLY . 7266 1 38 16 HIS . 7266 1 39 17 VAL . 7266 1 40 18 MET . 7266 1 41 19 HIS . 7266 1 42 20 PHE . 7266 1 43 21 ASP . 7266 1 44 22 VAL . 7266 1 45 23 PHE . 7266 1 46 24 THR . 7266 1 47 25 ASP . 7266 1 48 26 VAL . 7266 1 49 27 ARG . 7266 1 50 28 ASP . 7266 1 51 29 ASP . 7266 1 52 30 LYS . 7266 1 53 31 LYS . 7266 1 54 32 ALA . 7266 1 55 33 ILE . 7266 1 56 34 GLU . 7266 1 57 35 PHE . 7266 1 58 36 ALA . 7266 1 59 37 LYS . 7266 1 60 38 GLN . 7266 1 61 39 TRP . 7266 1 62 40 LEU . 7266 1 63 41 SER . 7266 1 64 42 SER . 7266 1 65 43 ILE . 7266 1 66 44 GLY . 7266 1 67 45 GLU . 7266 1 68 46 GLU . 7266 1 69 47 GLY . 7266 1 70 48 ALA . 7266 1 71 49 THR . 7266 1 72 50 VAL . 7266 1 73 51 THR . 7266 1 74 52 SER . 7266 1 75 53 GLU . 7266 1 76 54 GLU . 7266 1 77 55 CYS . 7266 1 78 56 ARG . 7266 1 79 57 PHE . 7266 1 80 58 CYS . 7266 1 81 59 HIS . 7266 1 82 60 SER . 7266 1 83 61 GLU . 7266 1 84 62 LYS . 7266 1 85 63 ALA . 7266 1 86 64 PRO . 7266 1 87 65 ASP . 7266 1 88 66 GLU . 7266 1 89 67 VAL . 7266 1 90 68 ILE . 7266 1 91 69 GLU . 7266 1 92 70 ALA . 7266 1 93 71 ILE . 7266 1 94 72 LYS . 7266 1 95 73 GLN . 7266 1 96 74 ASN . 7266 1 97 75 GLY . 7266 1 98 76 TYR . 7266 1 99 77 PHE . 7266 1 100 78 ILE . 7266 1 101 79 TYR . 7266 1 102 80 LYS . 7266 1 103 81 MET . 7266 1 104 82 GLU . 7266 1 105 83 GLY . 7266 1 106 84 CYS . 7266 1 107 85 ASN . 7266 1 108 86 GLY . 7266 1 109 87 SER . 7266 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 7266 1 . GLY 2 2 7266 1 . SER 3 3 7266 1 . SER 4 4 7266 1 . HIS 5 5 7266 1 . HIS 6 6 7266 1 . HIS 7 7 7266 1 . HIS 8 8 7266 1 . HIS 9 9 7266 1 . HIS 10 10 7266 1 . SER 11 11 7266 1 . SER 12 12 7266 1 . GLY 13 13 7266 1 . ARG 14 14 7266 1 . GLU 15 15 7266 1 . ASN 16 16 7266 1 . LEU 17 17 7266 1 . TYR 18 18 7266 1 . PHE 19 19 7266 1 . GLN 20 20 7266 1 . GLY 21 21 7266 1 . HIS 22 22 7266 1 . MET 23 23 7266 1 . GLN 24 24 7266 1 . ILE 25 25 7266 1 . HIS 26 26 7266 1 . VAL 27 27 7266 1 . TYR 28 28 7266 1 . ASP 29 29 7266 1 . THR 30 30 7266 1 . TYR 31 31 7266 1 . VAL 32 32 7266 1 . LYS 33 33 7266 1 . ALA 34 34 7266 1 . LYS 35 35 7266 1 . ASP 36 36 7266 1 . GLY 37 37 7266 1 . HIS 38 38 7266 1 . VAL 39 39 7266 1 . MET 40 40 7266 1 . HIS 41 41 7266 1 . PHE 42 42 7266 1 . ASP 43 43 7266 1 . VAL 44 44 7266 1 . PHE 45 45 7266 1 . THR 46 46 7266 1 . ASP 47 47 7266 1 . VAL 48 48 7266 1 . ARG 49 49 7266 1 . ASP 50 50 7266 1 . ASP 51 51 7266 1 . LYS 52 52 7266 1 . LYS 53 53 7266 1 . ALA 54 54 7266 1 . ILE 55 55 7266 1 . GLU 56 56 7266 1 . PHE 57 57 7266 1 . ALA 58 58 7266 1 . LYS 59 59 7266 1 . GLN 60 60 7266 1 . TRP 61 61 7266 1 . LEU 62 62 7266 1 . SER 63 63 7266 1 . SER 64 64 7266 1 . ILE 65 65 7266 1 . GLY 66 66 7266 1 . GLU 67 67 7266 1 . GLU 68 68 7266 1 . GLY 69 69 7266 1 . ALA 70 70 7266 1 . THR 71 71 7266 1 . VAL 72 72 7266 1 . THR 73 73 7266 1 . SER 74 74 7266 1 . GLU 75 75 7266 1 . GLU 76 76 7266 1 . CYS 77 77 7266 1 . ARG 78 78 7266 1 . PHE 79 79 7266 1 . CYS 80 80 7266 1 . HIS 81 81 7266 1 . SER 82 82 7266 1 . GLU 83 83 7266 1 . LYS 84 84 7266 1 . ALA 85 85 7266 1 . PRO 86 86 7266 1 . ASP 87 87 7266 1 . GLU 88 88 7266 1 . VAL 89 89 7266 1 . ILE 90 90 7266 1 . GLU 91 91 7266 1 . ALA 92 92 7266 1 . ILE 93 93 7266 1 . LYS 94 94 7266 1 . GLN 95 95 7266 1 . ASN 96 96 7266 1 . GLY 97 97 7266 1 . TYR 98 98 7266 1 . PHE 99 99 7266 1 . ILE 100 100 7266 1 . TYR 101 101 7266 1 . LYS 102 102 7266 1 . MET 103 103 7266 1 . GLU 104 104 7266 1 . GLY 105 105 7266 1 . CYS 106 106 7266 1 . ASN 107 107 7266 1 . GLY 108 108 7266 1 . SER 109 109 7266 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 7266 _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 $NE1680 . 915 organism no 'Nitrosomonas europaea' 'Nitrosomonas europaea' . . Eubacteria 'Not applicable' Nitrosomonas europaea . . . . . . . . . . . . . . . . . . . . . 7266 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID 1 1 $NE1680 . NCBI . NP_841712.1 . . . . 7266 1 1 1 $NE1680 . SwissProt . Q82U33 . . . . 7266 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 7266 _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 $NE1680 . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 7266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7266 _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 NE1680 '[U-13C; U-15N]' . . 1 $NE1680 . protein 1 . . mM 0.2 . . . 7266 1 2 NaCl . . . . . . salt 450 . . mM 10 . . . 7266 1 3 MOPS . . . . . . buffer 10 . . mM 1 . . . 7266 1 4 'sodium azide' . . . . . . 'antimicrobial agent' 0.01 . . 'w/v %' 0.002 . . . 7266 1 5 H2O . . . . . . solvent 90 . . 'v/v %' . . . . 7266 1 6 D2O . . . . . . solvent 10 . . 'v/v %' . . . . 7266 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 7266 _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 7266 1 temperature 298 1 K 7266 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7266 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 7266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 2 '1H13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 4 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 5 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 6 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 7 CC-NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 8 HC-NH-NOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 9 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 10 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 11 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 12 CBCACOCAHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7266 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HSQC _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 3 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CC-NH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CC-NH-TOCSY _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CC-NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HC-NH-NOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HC-NH-NOCSY _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HC-NH-NOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHA _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBCBCGCDHD _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBCBCGCDHD _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBCBCGCDHD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACOCAHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACOCAHA _NMR_spec_expt.Entry_ID 7266 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CBCACOCAHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7266 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced to external DSS' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7266 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7266 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7266 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 7266 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H15N HSQC' 1 $sample_1 isotropic 7266 1 2 '1H13C HSQC' 1 $sample_1 isotropic 7266 1 3 HNCACB 1 $sample_1 isotropic 7266 1 4 CBCACONH 1 $sample_1 isotropic 7266 1 5 HCCH-COSY 1 $sample_1 isotropic 7266 1 6 HCCH-TOCSY 1 $sample_1 isotropic 7266 1 7 CC-NH-TOCSY 1 $sample_1 isotropic 7266 1 8 HC-NH-NOCSY 1 $sample_1 isotropic 7266 1 9 HNCO 1 $sample_1 isotropic 7266 1 10 HNHA 1 $sample_1 isotropic 7266 1 11 HBCBCGCDHD 1 $sample_1 isotropic 7266 1 12 CBCACOCAHA 1 $sample_1 isotropic 7266 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 23 23 MET H H 1 8.45 0.02 . 1 . . . . 1 MET H . 7266 1 2 . 1 1 23 23 MET HA H 1 4.27 0.02 . 1 . . . . 1 MET HA . 7266 1 3 . 1 1 23 23 MET HB2 H 1 1.84 0.02 . 2 . . . . 1 MET HB2 . 7266 1 4 . 1 1 23 23 MET HB3 H 1 2.00 0.02 . 2 . . . . 1 MET HB3 . 7266 1 5 . 1 1 23 23 MET HG2 H 1 2.19 0.02 . 2 . . . . 1 MET HG2 . 7266 1 6 . 1 1 23 23 MET HG3 H 1 2.42 0.02 . 2 . . . . 1 MET HG3 . 7266 1 7 . 1 1 23 23 MET HE1 H 1 1.99 0.02 . 1 . . . . 1 MET HE . 7266 1 8 . 1 1 23 23 MET HE2 H 1 1.99 0.02 . 1 . . . . 1 MET HE . 7266 1 9 . 1 1 23 23 MET HE3 H 1 1.99 0.02 . 1 . . . . 1 MET HE . 7266 1 10 . 1 1 23 23 MET C C 13 174.6 0.2 . 1 . . . . 1 MET C . 7266 1 11 . 1 1 23 23 MET CA C 13 56.0 0.2 . 1 . . . . 1 MET CA . 7266 1 12 . 1 1 23 23 MET CB C 13 34.4 0.2 . 1 . . . . 1 MET CB . 7266 1 13 . 1 1 23 23 MET CG C 13 31.7 0.2 . 1 . . . . 1 MET CG . 7266 1 14 . 1 1 23 23 MET CE C 13 16.8 0.2 . 1 . . . . 1 MET CE . 7266 1 15 . 1 1 23 23 MET N N 15 123.1 0.2 . 1 . . . . 1 MET N . 7266 1 16 . 1 1 24 24 GLN H H 1 8.50 0.02 . 1 . . . . 2 GLN H . 7266 1 17 . 1 1 24 24 GLN HA H 1 4.48 0.02 . 1 . . . . 2 GLN HA . 7266 1 18 . 1 1 24 24 GLN HB2 H 1 1.76 0.02 . 2 . . . . 2 GLN HB2 . 7266 1 19 . 1 1 24 24 GLN HB3 H 1 1.84 0.02 . 2 . . . . 2 GLN HB3 . 7266 1 20 . 1 1 24 24 GLN HG2 H 1 1.94 0.02 . 2 . . . . 2 GLN HG2 . 7266 1 21 . 1 1 24 24 GLN HG3 H 1 2.05 0.02 . 2 . . . . 2 GLN HG3 . 7266 1 22 . 1 1 24 24 GLN HE21 H 1 6.73 0.02 . 2 . . . . 2 GLN HE21 . 7266 1 23 . 1 1 24 24 GLN HE22 H 1 7.31 0.02 . 2 . . . . 2 GLN HE22 . 7266 1 24 . 1 1 24 24 GLN C C 13 175.2 0.2 . 1 . . . . 2 GLN C . 7266 1 25 . 1 1 24 24 GLN CA C 13 55.0 0.2 . 1 . . . . 2 GLN CA . 7266 1 26 . 1 1 24 24 GLN CB C 13 30.5 0.2 . 1 . . . . 2 GLN CB . 7266 1 27 . 1 1 24 24 GLN CG C 13 33.7 0.2 . 1 . . . . 2 GLN CG . 7266 1 28 . 1 1 24 24 GLN N N 15 125.9 0.2 . 1 . . . . 2 GLN N . 7266 1 29 . 1 1 24 24 GLN NE2 N 15 110.9 0.2 . 1 . . . . 2 GLN NE2 . 7266 1 30 . 1 1 25 25 ILE H H 1 8.74 0.02 . 1 . . . . 3 ILE H . 7266 1 31 . 1 1 25 25 ILE HA H 1 4.76 0.02 . 1 . . . . 3 ILE HA . 7266 1 32 . 1 1 25 25 ILE HB H 1 1.62 0.02 . 1 . . . . 3 ILE HB . 7266 1 33 . 1 1 25 25 ILE HG12 H 1 0.53 0.02 . 2 . . . . 3 ILE HG12 . 7266 1 34 . 1 1 25 25 ILE HG13 H 1 0.92 0.02 . 2 . . . . 3 ILE HG13 . 7266 1 35 . 1 1 25 25 ILE HG21 H 1 0.57 0.02 . 1 . . . . 3 ILE HG2 . 7266 1 36 . 1 1 25 25 ILE HG22 H 1 0.57 0.02 . 1 . . . . 3 ILE HG2 . 7266 1 37 . 1 1 25 25 ILE HG23 H 1 0.57 0.02 . 1 . . . . 3 ILE HG2 . 7266 1 38 . 1 1 25 25 ILE HD11 H 1 -0.08 0.02 . 1 . . . . 3 ILE HD1 . 7266 1 39 . 1 1 25 25 ILE HD12 H 1 -0.08 0.02 . 1 . . . . 3 ILE HD1 . 7266 1 40 . 1 1 25 25 ILE HD13 H 1 -0.08 0.02 . 1 . . . . 3 ILE HD1 . 7266 1 41 . 1 1 25 25 ILE C C 13 173.5 0.2 . 1 . . . . 3 ILE C . 7266 1 42 . 1 1 25 25 ILE CA C 13 58.0 0.2 . 1 . . . . 3 ILE CA . 7266 1 43 . 1 1 25 25 ILE CB C 13 41.9 0.2 . 1 . . . . 3 ILE CB . 7266 1 44 . 1 1 25 25 ILE CG1 C 13 26.4 0.2 . 1 . . . . 3 ILE CG1 . 7266 1 45 . 1 1 25 25 ILE CG2 C 13 20.3 0.2 . 1 . . . . 3 ILE CG2 . 7266 1 46 . 1 1 25 25 ILE CD1 C 13 14.2 0.2 . 1 . . . . 3 ILE CD1 . 7266 1 47 . 1 1 25 25 ILE N N 15 115.7 0.2 . 1 . . . . 3 ILE N . 7266 1 48 . 1 1 26 26 HIS H H 1 8.89 0.02 . 1 . . . . 4 HIS H . 7266 1 49 . 1 1 26 26 HIS HA H 1 4.72 0.02 . 1 . . . . 4 HIS HA . 7266 1 50 . 1 1 26 26 HIS HB2 H 1 2.87 0.02 . 2 . . . . 4 HIS HB2 . 7266 1 51 . 1 1 26 26 HIS HB3 H 1 3.22 0.02 . 2 . . . . 4 HIS HB3 . 7266 1 52 . 1 1 26 26 HIS HD2 H 1 6.46 0.02 . 1 . . . . 4 HIS HD2 . 7266 1 53 . 1 1 26 26 HIS C C 13 173.5 0.2 . 1 . . . . 4 HIS C . 7266 1 54 . 1 1 26 26 HIS CA C 13 55.6 0.2 . 1 . . . . 4 HIS CA . 7266 1 55 . 1 1 26 26 HIS CB C 13 32.5 0.2 . 1 . . . . 4 HIS CB . 7266 1 56 . 1 1 26 26 HIS N N 15 122.2 0.2 . 1 . . . . 4 HIS N . 7266 1 57 . 1 1 27 27 VAL H H 1 8.46 0.02 . 1 . . . . 5 VAL H . 7266 1 58 . 1 1 27 27 VAL HA H 1 4.51 0.02 . 1 . . . . 5 VAL HA . 7266 1 59 . 1 1 27 27 VAL HB H 1 1.22 0.02 . 1 . . . . 5 VAL HB . 7266 1 60 . 1 1 27 27 VAL HG11 H 1 0.70 0.02 . 1 . . . . 5 VAL HG1 . 7266 1 61 . 1 1 27 27 VAL HG12 H 1 0.70 0.02 . 1 . . . . 5 VAL HG1 . 7266 1 62 . 1 1 27 27 VAL HG13 H 1 0.70 0.02 . 1 . . . . 5 VAL HG1 . 7266 1 63 . 1 1 27 27 VAL HG21 H 1 0.15 0.02 . 1 . . . . 5 VAL HG2 . 7266 1 64 . 1 1 27 27 VAL HG22 H 1 0.15 0.02 . 1 . . . . 5 VAL HG2 . 7266 1 65 . 1 1 27 27 VAL HG23 H 1 0.15 0.02 . 1 . . . . 5 VAL HG2 . 7266 1 66 . 1 1 27 27 VAL C C 13 174.1 0.2 . 1 . . . . 5 VAL C . 7266 1 67 . 1 1 27 27 VAL CA C 13 62.8 0.2 . 1 . . . . 5 VAL CA . 7266 1 68 . 1 1 27 27 VAL CB C 13 32.6 0.2 . 1 . . . . 5 VAL CB . 7266 1 69 . 1 1 27 27 VAL CG1 C 13 21.1 0.2 . 1 . . . . 5 VAL CG1 . 7266 1 70 . 1 1 27 27 VAL CG2 C 13 20.1 0.2 . 1 . . . . 5 VAL CG2 . 7266 1 71 . 1 1 27 27 VAL N N 15 122.2 0.2 . 1 . . . . 5 VAL N . 7266 1 72 . 1 1 28 28 TYR H H 1 9.32 0.02 . 1 . . . . 6 TYR H . 7266 1 73 . 1 1 28 28 TYR HA H 1 4.72 0.02 . 1 . . . . 6 TYR HA . 7266 1 74 . 1 1 28 28 TYR HB2 H 1 2.67 0.02 . 2 . . . . 6 TYR HB2 . 7266 1 75 . 1 1 28 28 TYR HB3 H 1 2.96 0.02 . 2 . . . . 6 TYR HB3 . 7266 1 76 . 1 1 28 28 TYR HD1 H 1 6.82 0.02 . 3 . . . . 6 TYR HD1 . 7266 1 77 . 1 1 28 28 TYR HD2 H 1 7.36 0.02 . 3 . . . . 6 TYR HD2 . 7266 1 78 . 1 1 28 28 TYR HE1 H 1 6.98 0.02 . 3 . . . . 6 TYR HE1 . 7266 1 79 . 1 1 28 28 TYR C C 13 175.9 0.2 . 1 . . . . 6 TYR C . 7266 1 80 . 1 1 28 28 TYR CA C 13 57.2 0.2 . 1 . . . . 6 TYR CA . 7266 1 81 . 1 1 28 28 TYR CB C 13 39.0 0.2 . 1 . . . . 6 TYR CB . 7266 1 82 . 1 1 28 28 TYR CD1 C 13 133.3 0.2 . 3 . . . . 6 TYR CD1 . 7266 1 83 . 1 1 28 28 TYR CE1 C 13 117.1 0.2 . 3 . . . . 6 TYR CE1 . 7266 1 84 . 1 1 28 28 TYR N N 15 126.9 0.2 . 1 . . . . 6 TYR N . 7266 1 85 . 1 1 29 29 ASP H H 1 8.73 0.02 . 1 . . . . 7 ASP H . 7266 1 86 . 1 1 29 29 ASP HA H 1 5.05 0.02 . 1 . . . . 7 ASP HA . 7266 1 87 . 1 1 29 29 ASP HB2 H 1 2.59 0.02 . 2 . . . . 7 ASP HB2 . 7266 1 88 . 1 1 29 29 ASP HB3 H 1 2.90 0.02 . 2 . . . . 7 ASP HB3 . 7266 1 89 . 1 1 29 29 ASP C C 13 176.7 0.2 . 1 . . . . 7 ASP C . 7266 1 90 . 1 1 29 29 ASP CA C 13 54.6 0.2 . 1 . . . . 7 ASP CA . 7266 1 91 . 1 1 29 29 ASP CB C 13 43.1 0.2 . 1 . . . . 7 ASP CB . 7266 1 92 . 1 1 29 29 ASP N N 15 128.9 0.2 . 1 . . . . 7 ASP N . 7266 1 93 . 1 1 30 30 THR H H 1 8.58 0.02 . 1 . . . . 8 THR H . 7266 1 94 . 1 1 30 30 THR HA H 1 5.69 0.02 . 1 . . . . 8 THR HA . 7266 1 95 . 1 1 30 30 THR HB H 1 2.63 0.02 . 1 . . . . 8 THR HB . 7266 1 96 . 1 1 30 30 THR HG21 H 1 0.62 0.02 . 1 . . . . 8 THR HG2 . 7266 1 97 . 1 1 30 30 THR HG22 H 1 0.62 0.02 . 1 . . . . 8 THR HG2 . 7266 1 98 . 1 1 30 30 THR HG23 H 1 0.62 0.02 . 1 . . . . 8 THR HG2 . 7266 1 99 . 1 1 30 30 THR C C 13 172.4 0.2 . 1 . . . . 8 THR C . 7266 1 100 . 1 1 30 30 THR CA C 13 62.0 0.2 . 1 . . . . 8 THR CA . 7266 1 101 . 1 1 30 30 THR CB C 13 69.0 0.2 . 1 . . . . 8 THR CB . 7266 1 102 . 1 1 30 30 THR CG2 C 13 22.4 0.2 . 1 . . . . 8 THR CG2 . 7266 1 103 . 1 1 30 30 THR N N 15 125.0 0.2 . 1 . . . . 8 THR N . 7266 1 104 . 1 1 31 31 TYR H H 1 8.32 0.02 . 1 . . . . 9 TYR H . 7266 1 105 . 1 1 31 31 TYR HA H 1 5.41 0.02 . 1 . . . . 9 TYR HA . 7266 1 106 . 1 1 31 31 TYR HB2 H 1 2.55 0.02 . 2 . . . . 9 TYR HB2 . 7266 1 107 . 1 1 31 31 TYR HB3 H 1 2.80 0.02 . 2 . . . . 9 TYR HB3 . 7266 1 108 . 1 1 31 31 TYR HD1 H 1 6.91 0.02 . 3 . . . . 9 TYR HD1 . 7266 1 109 . 1 1 31 31 TYR HE1 H 1 6.43 0.02 . 3 . . . . 9 TYR HE1 . 7266 1 110 . 1 1 31 31 TYR C C 13 175.9 0.2 . 1 . . . . 9 TYR C . 7266 1 111 . 1 1 31 31 TYR CA C 13 56.8 0.2 . 1 . . . . 9 TYR CA . 7266 1 112 . 1 1 31 31 TYR CB C 13 41.1 0.2 . 1 . . . . 9 TYR CB . 7266 1 113 . 1 1 31 31 TYR CD1 C 13 132.7 0.2 . 3 . . . . 9 TYR CD1 . 7266 1 114 . 1 1 31 31 TYR CE1 C 13 117.6 0.2 . 3 . . . . 9 TYR CE1 . 7266 1 115 . 1 1 31 31 TYR N N 15 125.8 0.2 . 1 . . . . 9 TYR N . 7266 1 116 . 1 1 32 32 VAL H H 1 8.89 0.02 . 1 . . . . 10 VAL H . 7266 1 117 . 1 1 32 32 VAL HA H 1 4.73 0.02 . 1 . . . . 10 VAL HA . 7266 1 118 . 1 1 32 32 VAL HB H 1 1.98 0.02 . 1 . . . . 10 VAL HB . 7266 1 119 . 1 1 32 32 VAL HG11 H 1 0.93 0.02 . 1 . . . . 10 VAL HG1 . 7266 1 120 . 1 1 32 32 VAL HG12 H 1 0.93 0.02 . 1 . . . . 10 VAL HG1 . 7266 1 121 . 1 1 32 32 VAL HG13 H 1 0.93 0.02 . 1 . . . . 10 VAL HG1 . 7266 1 122 . 1 1 32 32 VAL HG21 H 1 1.01 0.02 . 1 . . . . 10 VAL HG2 . 7266 1 123 . 1 1 32 32 VAL HG22 H 1 1.01 0.02 . 1 . . . . 10 VAL HG2 . 7266 1 124 . 1 1 32 32 VAL HG23 H 1 1.01 0.02 . 1 . . . . 10 VAL HG2 . 7266 1 125 . 1 1 32 32 VAL C C 13 174.2 0.2 . 1 . . . . 10 VAL C . 7266 1 126 . 1 1 32 32 VAL CA C 13 59.3 0.2 . 1 . . . . 10 VAL CA . 7266 1 127 . 1 1 32 32 VAL CB C 13 37.0 0.2 . 1 . . . . 10 VAL CB . 7266 1 128 . 1 1 32 32 VAL CG1 C 13 22.1 0.2 . 1 . . . . 10 VAL CG1 . 7266 1 129 . 1 1 32 32 VAL CG2 C 13 22.6 0.2 . 1 . . . . 10 VAL CG2 . 7266 1 130 . 1 1 32 32 VAL N N 15 118.5 0.2 . 1 . . . . 10 VAL N . 7266 1 131 . 1 1 33 33 LYS H H 1 8.50 0.02 . 1 . . . . 11 LYS H . 7266 1 132 . 1 1 33 33 LYS HA H 1 4.44 0.02 . 1 . . . . 11 LYS HA . 7266 1 133 . 1 1 33 33 LYS HB2 H 1 1.61 0.02 . 2 . . . . 11 LYS HB2 . 7266 1 134 . 1 1 33 33 LYS HB3 H 1 1.69 0.02 . 2 . . . . 11 LYS HB3 . 7266 1 135 . 1 1 33 33 LYS HG2 H 1 1.35 0.02 . 2 . . . . 11 LYS HG2 . 7266 1 136 . 1 1 33 33 LYS HG3 H 1 1.39 0.02 . 2 . . . . 11 LYS HG3 . 7266 1 137 . 1 1 33 33 LYS HD2 H 1 1.64 0.02 . 2 . . . . 11 LYS HD2 . 7266 1 138 . 1 1 33 33 LYS HD3 H 1 1.67 0.02 . 2 . . . . 11 LYS HD3 . 7266 1 139 . 1 1 33 33 LYS HE2 H 1 2.95 0.02 . 2 . . . . 11 LYS HE2 . 7266 1 140 . 1 1 33 33 LYS HE3 H 1 2.97 0.02 . 2 . . . . 11 LYS HE3 . 7266 1 141 . 1 1 33 33 LYS C C 13 175.5 0.2 . 1 . . . . 11 LYS C . 7266 1 142 . 1 1 33 33 LYS CA C 13 56.0 0.2 . 1 . . . . 11 LYS CA . 7266 1 143 . 1 1 33 33 LYS CB C 13 32.8 0.2 . 1 . . . . 11 LYS CB . 7266 1 144 . 1 1 33 33 LYS CG C 13 24.5 0.2 . 1 . . . . 11 LYS CG . 7266 1 145 . 1 1 33 33 LYS CD C 13 29.0 0.2 . 1 . . . . 11 LYS CD . 7266 1 146 . 1 1 33 33 LYS CE C 13 42.1 0.2 . 1 . . . . 11 LYS CE . 7266 1 147 . 1 1 33 33 LYS N N 15 125.0 0.2 . 1 . . . . 11 LYS N . 7266 1 148 . 1 1 34 34 ALA H H 1 8.67 0.02 . 1 . . . . 12 ALA H . 7266 1 149 . 1 1 34 34 ALA HA H 1 4.14 0.02 . 1 . . . . 12 ALA HA . 7266 1 150 . 1 1 34 34 ALA HB1 H 1 1.20 0.02 . 1 . . . . 12 ALA HB . 7266 1 151 . 1 1 34 34 ALA HB2 H 1 1.20 0.02 . 1 . . . . 12 ALA HB . 7266 1 152 . 1 1 34 34 ALA HB3 H 1 1.20 0.02 . 1 . . . . 12 ALA HB . 7266 1 153 . 1 1 34 34 ALA C C 13 179.3 0.2 . 1 . . . . 12 ALA C . 7266 1 154 . 1 1 34 34 ALA CA C 13 51.3 0.2 . 1 . . . . 12 ALA CA . 7266 1 155 . 1 1 34 34 ALA CB C 13 20.6 0.2 . 1 . . . . 12 ALA CB . 7266 1 156 . 1 1 34 34 ALA N N 15 128.7 0.2 . 1 . . . . 12 ALA N . 7266 1 157 . 1 1 35 35 LYS H H 1 10.52 0.02 . 1 . . . . 13 LYS H . 7266 1 158 . 1 1 35 35 LYS HA H 1 3.99 0.02 . 1 . . . . 13 LYS HA . 7266 1 159 . 1 1 35 35 LYS HB2 H 1 1.90 0.02 . 2 . . . . 13 LYS HB2 . 7266 1 160 . 1 1 35 35 LYS HB3 H 1 1.97 0.02 . 2 . . . . 13 LYS HB3 . 7266 1 161 . 1 1 35 35 LYS HG2 H 1 1.50 0.02 . 2 . . . . 13 LYS HG2 . 7266 1 162 . 1 1 35 35 LYS HG3 H 1 1.63 0.02 . 2 . . . . 13 LYS HG3 . 7266 1 163 . 1 1 35 35 LYS HD2 H 1 1.68 0.02 . 2 . . . . 13 LYS HD2 . 7266 1 164 . 1 1 35 35 LYS HD3 H 1 1.70 0.02 . 2 . . . . 13 LYS HD3 . 7266 1 165 . 1 1 35 35 LYS HE2 H 1 2.97 0.02 . 2 . . . . 13 LYS HE2 . 7266 1 166 . 1 1 35 35 LYS HE3 H 1 2.99 0.02 . 2 . . . . 13 LYS HE3 . 7266 1 167 . 1 1 35 35 LYS C C 13 178.3 0.2 . 1 . . . . 13 LYS C . 7266 1 168 . 1 1 35 35 LYS CA C 13 59.9 0.2 . 1 . . . . 13 LYS CA . 7266 1 169 . 1 1 35 35 LYS CB C 13 31.8 0.2 . 1 . . . . 13 LYS CB . 7266 1 170 . 1 1 35 35 LYS CG C 13 24.3 0.2 . 1 . . . . 13 LYS CG . 7266 1 171 . 1 1 35 35 LYS CD C 13 29.4 0.2 . 1 . . . . 13 LYS CD . 7266 1 172 . 1 1 35 35 LYS CE C 13 42.3 0.2 . 1 . . . . 13 LYS CE . 7266 1 173 . 1 1 35 35 LYS N N 15 125.5 0.2 . 1 . . . . 13 LYS N . 7266 1 174 . 1 1 36 36 ASP H H 1 8.23 0.02 . 1 . . . . 14 ASP H . 7266 1 175 . 1 1 36 36 ASP HA H 1 4.55 0.02 . 1 . . . . 14 ASP HA . 7266 1 176 . 1 1 36 36 ASP HB2 H 1 2.67 0.02 . 2 . . . . 14 ASP HB2 . 7266 1 177 . 1 1 36 36 ASP HB3 H 1 3.20 0.02 . 2 . . . . 14 ASP HB3 . 7266 1 178 . 1 1 36 36 ASP C C 13 177.4 0.2 . 1 . . . . 14 ASP C . 7266 1 179 . 1 1 36 36 ASP CA C 13 53.5 0.2 . 1 . . . . 14 ASP CA . 7266 1 180 . 1 1 36 36 ASP CB C 13 39.8 0.2 . 1 . . . . 14 ASP CB . 7266 1 181 . 1 1 36 36 ASP N N 15 116.1 0.2 . 1 . . . . 14 ASP N . 7266 1 182 . 1 1 37 37 GLY H H 1 8.31 0.02 . 1 . . . . 15 GLY H . 7266 1 183 . 1 1 37 37 GLY HA2 H 1 3.50 0.02 . 2 . . . . 15 GLY HA2 . 7266 1 184 . 1 1 37 37 GLY HA3 H 1 4.45 0.02 . 2 . . . . 15 GLY HA3 . 7266 1 185 . 1 1 37 37 GLY C C 13 174.2 0.2 . 1 . . . . 15 GLY C . 7266 1 186 . 1 1 37 37 GLY CA C 13 45.2 0.2 . 1 . . . . 15 GLY CA . 7266 1 187 . 1 1 37 37 GLY N N 15 108.4 0.2 . 1 . . . . 15 GLY N . 7266 1 188 . 1 1 38 38 HIS H H 1 8.02 0.02 . 1 . . . . 16 HIS H . 7266 1 189 . 1 1 38 38 HIS HA H 1 4.86 0.02 . 1 . . . . 16 HIS HA . 7266 1 190 . 1 1 38 38 HIS HB2 H 1 3.07 0.02 . 2 . . . . 16 HIS HB2 . 7266 1 191 . 1 1 38 38 HIS HB3 H 1 3.59 0.02 . 2 . . . . 16 HIS HB3 . 7266 1 192 . 1 1 38 38 HIS HD2 H 1 7.18 0.02 . 1 . . . . 16 HIS HD2 . 7266 1 193 . 1 1 38 38 HIS C C 13 172.4 0.2 . 1 . . . . 16 HIS C . 7266 1 194 . 1 1 38 38 HIS CA C 13 55.3 0.2 . 1 . . . . 16 HIS CA . 7266 1 195 . 1 1 38 38 HIS CB C 13 28.3 0.2 . 1 . . . . 16 HIS CB . 7266 1 196 . 1 1 38 38 HIS CD2 C 13 121.0 0.2 . 1 . . . . 16 HIS CD2 . 7266 1 197 . 1 1 38 38 HIS N N 15 119.7 0.2 . 1 . . . . 16 HIS N . 7266 1 198 . 1 1 39 39 VAL H H 1 8.62 0.02 . 1 . . . . 17 VAL H . 7266 1 199 . 1 1 39 39 VAL HA H 1 4.28 0.02 . 1 . . . . 17 VAL HA . 7266 1 200 . 1 1 39 39 VAL HB H 1 2.00 0.02 . 1 . . . . 17 VAL HB . 7266 1 201 . 1 1 39 39 VAL HG11 H 1 0.97 0.02 . 1 . . . . 17 VAL HG1 . 7266 1 202 . 1 1 39 39 VAL HG12 H 1 0.97 0.02 . 1 . . . . 17 VAL HG1 . 7266 1 203 . 1 1 39 39 VAL HG13 H 1 0.97 0.02 . 1 . . . . 17 VAL HG1 . 7266 1 204 . 1 1 39 39 VAL HG21 H 1 0.98 0.02 . 1 . . . . 17 VAL HG2 . 7266 1 205 . 1 1 39 39 VAL HG22 H 1 0.98 0.02 . 1 . . . . 17 VAL HG2 . 7266 1 206 . 1 1 39 39 VAL HG23 H 1 0.98 0.02 . 1 . . . . 17 VAL HG2 . 7266 1 207 . 1 1 39 39 VAL C C 13 176.0 0.2 . 1 . . . . 17 VAL C . 7266 1 208 . 1 1 39 39 VAL CA C 13 62.7 0.2 . 1 . . . . 17 VAL CA . 7266 1 209 . 1 1 39 39 VAL CB C 13 32.9 0.2 . 1 . . . . 17 VAL CB . 7266 1 210 . 1 1 39 39 VAL CG1 C 13 21.8 0.2 . 1 . . . . 17 VAL CG1 . 7266 1 211 . 1 1 39 39 VAL CG2 C 13 22.3 0.2 . 1 . . . . 17 VAL CG2 . 7266 1 212 . 1 1 39 39 VAL N N 15 122.2 0.2 . 1 . . . . 17 VAL N . 7266 1 213 . 1 1 40 40 MET H H 1 9.36 0.02 . 1 . . . . 18 MET H . 7266 1 214 . 1 1 40 40 MET HA H 1 4.78 0.02 . 1 . . . . 18 MET HA . 7266 1 215 . 1 1 40 40 MET HB2 H 1 2.27 0.02 . 2 . . . . 18 MET HB2 . 7266 1 216 . 1 1 40 40 MET HB3 H 1 2.16 0.02 . 2 . . . . 18 MET HB3 . 7266 1 217 . 1 1 40 40 MET HG2 H 1 2.11 0.02 . 2 . . . . 18 MET HG2 . 7266 1 218 . 1 1 40 40 MET HG3 H 1 2.57 0.02 . 2 . . . . 18 MET HG3 . 7266 1 219 . 1 1 40 40 MET HE1 H 1 1.94 0.02 . 1 . . . . 18 MET HE . 7266 1 220 . 1 1 40 40 MET HE2 H 1 1.94 0.02 . 1 . . . . 18 MET HE . 7266 1 221 . 1 1 40 40 MET HE3 H 1 1.94 0.02 . 1 . . . . 18 MET HE . 7266 1 222 . 1 1 40 40 MET C C 13 173.5 0.2 . 1 . . . . 18 MET C . 7266 1 223 . 1 1 40 40 MET CA C 13 54.9 0.2 . 1 . . . . 18 MET CA . 7266 1 224 . 1 1 40 40 MET CB C 13 35.5 0.2 . 1 . . . . 18 MET CB . 7266 1 225 . 1 1 40 40 MET CG C 13 31.4 0.2 . 1 . . . . 18 MET CG . 7266 1 226 . 1 1 40 40 MET CE C 13 17.1 0.2 . 1 . . . . 18 MET CE . 7266 1 227 . 1 1 40 40 MET N N 15 126.8 0.2 . 1 . . . . 18 MET N . 7266 1 228 . 1 1 41 41 HIS H H 1 9.10 0.02 . 1 . . . . 19 HIS H . 7266 1 229 . 1 1 41 41 HIS HA H 1 5.70 0.02 . 1 . . . . 19 HIS HA . 7266 1 230 . 1 1 41 41 HIS HB2 H 1 2.60 0.02 . 2 . . . . 19 HIS HB2 . 7266 1 231 . 1 1 41 41 HIS HB3 H 1 3.51 0.02 . 2 . . . . 19 HIS HB3 . 7266 1 232 . 1 1 41 41 HIS HD2 H 1 6.53 0.02 . 1 . . . . 19 HIS HD2 . 7266 1 233 . 1 1 41 41 HIS C C 13 172.4 0.2 . 1 . . . . 19 HIS C . 7266 1 234 . 1 1 41 41 HIS CA C 13 51.1 0.2 . 1 . . . . 19 HIS CA . 7266 1 235 . 1 1 41 41 HIS CB C 13 31.1 0.2 . 1 . . . . 19 HIS CB . 7266 1 236 . 1 1 41 41 HIS CD2 C 13 120.3 0.2 . 1 . . . . 19 HIS CD2 . 7266 1 237 . 1 1 41 41 HIS N N 15 122.4 0.2 . 1 . . . . 19 HIS N . 7266 1 238 . 1 1 42 42 PHE H H 1 8.76 0.02 . 1 . . . . 20 PHE H . 7266 1 239 . 1 1 42 42 PHE HA H 1 4.66 0.02 . 1 . . . . 20 PHE HA . 7266 1 240 . 1 1 42 42 PHE HB2 H 1 2.43 0.02 . 2 . . . . 20 PHE HB2 . 7266 1 241 . 1 1 42 42 PHE HB3 H 1 3.07 0.02 . 2 . . . . 20 PHE HB3 . 7266 1 242 . 1 1 42 42 PHE HD1 H 1 6.65 0.02 . 3 . . . . 20 PHE HD1 . 7266 1 243 . 1 1 42 42 PHE HE1 H 1 7.06 0.02 . 3 . . . . 20 PHE HE1 . 7266 1 244 . 1 1 42 42 PHE HZ H 1 7.12 0.02 . 1 . . . . 20 PHE HZ . 7266 1 245 . 1 1 42 42 PHE C C 13 171.9 0.2 . 1 . . . . 20 PHE C . 7266 1 246 . 1 1 42 42 PHE CA C 13 55.5 0.2 . 1 . . . . 20 PHE CA . 7266 1 247 . 1 1 42 42 PHE CB C 13 40.4 0.2 . 1 . . . . 20 PHE CB . 7266 1 248 . 1 1 42 42 PHE CD1 C 13 133.4 0.2 . 3 . . . . 20 PHE CD1 . 7266 1 249 . 1 1 42 42 PHE CE1 C 13 129.9 0.2 . 3 . . . . 20 PHE CE1 . 7266 1 250 . 1 1 42 42 PHE CZ C 13 128.7 0.2 . 1 . . . . 20 PHE CZ . 7266 1 251 . 1 1 42 42 PHE N N 15 123.1 0.2 . 1 . . . . 20 PHE N . 7266 1 252 . 1 1 43 43 ASP H H 1 9.02 0.02 . 1 . . . . 21 ASP H . 7266 1 253 . 1 1 43 43 ASP HA H 1 6.08 0.02 . 1 . . . . 21 ASP HA . 7266 1 254 . 1 1 43 43 ASP HB2 H 1 2.58 0.02 . 2 . . . . 21 ASP HB2 . 7266 1 255 . 1 1 43 43 ASP HB3 H 1 2.64 0.02 . 2 . . . . 21 ASP HB3 . 7266 1 256 . 1 1 43 43 ASP C C 13 176.0 0.2 . 1 . . . . 21 ASP C . 7266 1 257 . 1 1 43 43 ASP CA C 13 51.4 0.2 . 1 . . . . 21 ASP CA . 7266 1 258 . 1 1 43 43 ASP CB C 13 43.2 0.2 . 1 . . . . 21 ASP CB . 7266 1 259 . 1 1 43 43 ASP N N 15 116.1 0.2 . 1 . . . . 21 ASP N . 7266 1 260 . 1 1 44 44 VAL H H 1 9.20 0.02 . 1 . . . . 22 VAL H . 7266 1 261 . 1 1 44 44 VAL HA H 1 4.57 0.02 . 1 . . . . 22 VAL HA . 7266 1 262 . 1 1 44 44 VAL HB H 1 2.24 0.02 . 1 . . . . 22 VAL HB . 7266 1 263 . 1 1 44 44 VAL HG11 H 1 1.06 0.02 . 1 . . . . 22 VAL HG1 . 7266 1 264 . 1 1 44 44 VAL HG12 H 1 1.06 0.02 . 1 . . . . 22 VAL HG1 . 7266 1 265 . 1 1 44 44 VAL HG13 H 1 1.06 0.02 . 1 . . . . 22 VAL HG1 . 7266 1 266 . 1 1 44 44 VAL HG21 H 1 1.04 0.02 . 1 . . . . 22 VAL HG2 . 7266 1 267 . 1 1 44 44 VAL HG22 H 1 1.04 0.02 . 1 . . . . 22 VAL HG2 . 7266 1 268 . 1 1 44 44 VAL HG23 H 1 1.04 0.02 . 1 . . . . 22 VAL HG2 . 7266 1 269 . 1 1 44 44 VAL C C 13 175.9 0.2 . 1 . . . . 22 VAL C . 7266 1 270 . 1 1 44 44 VAL CA C 13 61.8 0.2 . 1 . . . . 22 VAL CA . 7266 1 271 . 1 1 44 44 VAL CB C 13 33.7 0.2 . 1 . . . . 22 VAL CB . 7266 1 272 . 1 1 44 44 VAL CG1 C 13 21.8 0.2 . 1 . . . . 22 VAL CG1 . 7266 1 273 . 1 1 44 44 VAL CG2 C 13 20.7 0.2 . 1 . . . . 22 VAL CG2 . 7266 1 274 . 1 1 44 44 VAL N N 15 121.5 0.2 . 1 . . . . 22 VAL N . 7266 1 275 . 1 1 45 45 PHE H H 1 9.64 0.02 . 1 . . . . 23 PHE H . 7266 1 276 . 1 1 45 45 PHE HA H 1 6.20 0.02 . 1 . . . . 23 PHE HA . 7266 1 277 . 1 1 45 45 PHE HB2 H 1 2.90 0.02 . 2 . . . . 23 PHE HB2 . 7266 1 278 . 1 1 45 45 PHE HB3 H 1 3.64 0.02 . 2 . . . . 23 PHE HB3 . 7266 1 279 . 1 1 45 45 PHE HD1 H 1 7.00 0.02 . 3 . . . . 23 PHE HD1 . 7266 1 280 . 1 1 45 45 PHE HE1 H 1 7.15 0.02 . 3 . . . . 23 PHE HE1 . 7266 1 281 . 1 1 45 45 PHE C C 13 176.4 0.2 . 1 . . . . 23 PHE C . 7266 1 282 . 1 1 45 45 PHE CA C 13 52.7 0.2 . 1 . . . . 23 PHE CA . 7266 1 283 . 1 1 45 45 PHE CB C 13 40.4 0.2 . 1 . . . . 23 PHE CB . 7266 1 284 . 1 1 45 45 PHE CD1 C 13 129.7 0.2 . 3 . . . . 23 PHE CD1 . 7266 1 285 . 1 1 45 45 PHE CE1 C 13 131.3 0.2 . 3 . . . . 23 PHE CE1 . 7266 1 286 . 1 1 45 45 PHE N N 15 126.6 0.2 . 1 . . . . 23 PHE N . 7266 1 287 . 1 1 46 46 THR H H 1 9.40 0.02 . 1 . . . . 24 THR H . 7266 1 288 . 1 1 46 46 THR HA H 1 5.16 0.02 . 1 . . . . 24 THR HA . 7266 1 289 . 1 1 46 46 THR HB H 1 4.89 0.02 . 1 . . . . 24 THR HB . 7266 1 290 . 1 1 46 46 THR HG21 H 1 1.55 0.02 . 1 . . . . 24 THR HG2 . 7266 1 291 . 1 1 46 46 THR HG22 H 1 1.55 0.02 . 1 . . . . 24 THR HG2 . 7266 1 292 . 1 1 46 46 THR HG23 H 1 1.55 0.02 . 1 . . . . 24 THR HG2 . 7266 1 293 . 1 1 46 46 THR C C 13 173.3 0.2 . 1 . . . . 24 THR C . 7266 1 294 . 1 1 46 46 THR CA C 13 60.8 0.2 . 1 . . . . 24 THR CA . 7266 1 295 . 1 1 46 46 THR CB C 13 70.9 0.2 . 1 . . . . 24 THR CB . 7266 1 296 . 1 1 46 46 THR CG2 C 13 21.5 0.2 . 1 . . . . 24 THR CG2 . 7266 1 297 . 1 1 46 46 THR N N 15 112.9 0.2 . 1 . . . . 24 THR N . 7266 1 298 . 1 1 47 47 ASP H H 1 8.89 0.02 . 1 . . . . 25 ASP H . 7266 1 299 . 1 1 47 47 ASP HA H 1 5.02 0.02 . 1 . . . . 25 ASP HA . 7266 1 300 . 1 1 47 47 ASP HB2 H 1 2.58 0.02 . 2 . . . . 25 ASP HB2 . 7266 1 301 . 1 1 47 47 ASP HB3 H 1 3.11 0.02 . 2 . . . . 25 ASP HB3 . 7266 1 302 . 1 1 47 47 ASP C C 13 175.8 0.2 . 1 . . . . 25 ASP C . 7266 1 303 . 1 1 47 47 ASP CA C 13 54.2 0.2 . 1 . . . . 25 ASP CA . 7266 1 304 . 1 1 47 47 ASP CB C 13 40.5 0.2 . 1 . . . . 25 ASP CB . 7266 1 305 . 1 1 47 47 ASP N N 15 118.7 0.2 . 1 . . . . 25 ASP N . 7266 1 306 . 1 1 48 48 VAL H H 1 7.68 0.02 . 1 . . . . 26 VAL H . 7266 1 307 . 1 1 48 48 VAL HA H 1 4.37 0.02 . 1 . . . . 26 VAL HA . 7266 1 308 . 1 1 48 48 VAL HB H 1 2.07 0.02 . 1 . . . . 26 VAL HB . 7266 1 309 . 1 1 48 48 VAL HG11 H 1 0.96 0.02 . 1 . . . . 26 VAL HG1 . 7266 1 310 . 1 1 48 48 VAL HG12 H 1 0.96 0.02 . 1 . . . . 26 VAL HG1 . 7266 1 311 . 1 1 48 48 VAL HG13 H 1 0.96 0.02 . 1 . . . . 26 VAL HG1 . 7266 1 312 . 1 1 48 48 VAL HG21 H 1 1.00 0.02 . 1 . . . . 26 VAL HG2 . 7266 1 313 . 1 1 48 48 VAL HG22 H 1 1.00 0.02 . 1 . . . . 26 VAL HG2 . 7266 1 314 . 1 1 48 48 VAL HG23 H 1 1.00 0.02 . 1 . . . . 26 VAL HG2 . 7266 1 315 . 1 1 48 48 VAL CA C 13 60.4 0.2 . 1 . . . . 26 VAL CA . 7266 1 316 . 1 1 48 48 VAL CB C 13 35.1 0.2 . 1 . . . . 26 VAL CB . 7266 1 317 . 1 1 48 48 VAL CG1 C 13 21.0 0.2 . 1 . . . . 26 VAL CG1 . 7266 1 318 . 1 1 48 48 VAL CG2 C 13 20.4 0.2 . 1 . . . . 26 VAL CG2 . 7266 1 319 . 1 1 48 48 VAL N N 15 117.2 0.2 . 1 . . . . 26 VAL N . 7266 1 320 . 1 1 49 49 ARG HA H 1 4.03 0.02 . 1 . . . . 27 ARG HA . 7266 1 321 . 1 1 49 49 ARG HB2 H 1 0.19 0.02 . 2 . . . . 27 ARG HB2 . 7266 1 322 . 1 1 49 49 ARG HB3 H 1 1.49 0.02 . 2 . . . . 27 ARG HB3 . 7266 1 323 . 1 1 49 49 ARG HG2 H 1 0.91 0.02 . 2 . . . . 27 ARG HG2 . 7266 1 324 . 1 1 49 49 ARG HG3 H 1 1.10 0.02 . 2 . . . . 27 ARG HG3 . 7266 1 325 . 1 1 49 49 ARG HD2 H 1 2.25 0.02 . 2 . . . . 27 ARG HD2 . 7266 1 326 . 1 1 49 49 ARG HD3 H 1 2.27 0.02 . 2 . . . . 27 ARG HD3 . 7266 1 327 . 1 1 49 49 ARG C C 13 174.0 0.2 . 1 . . . . 27 ARG C . 7266 1 328 . 1 1 49 49 ARG CA C 13 54.9 0.2 . 1 . . . . 27 ARG CA . 7266 1 329 . 1 1 49 49 ARG CB C 13 26.9 0.2 . 1 . . . . 27 ARG CB . 7266 1 330 . 1 1 49 49 ARG CG C 13 26.6 0.2 . 1 . . . . 27 ARG CG . 7266 1 331 . 1 1 49 49 ARG CD C 13 42.2 0.2 . 1 . . . . 27 ARG CD . 7266 1 332 . 1 1 50 50 ASP H H 1 7.13 0.02 . 1 . . . . 28 ASP H . 7266 1 333 . 1 1 50 50 ASP HA H 1 4.56 0.02 . 1 . . . . 28 ASP HA . 7266 1 334 . 1 1 50 50 ASP HB2 H 1 2.47 0.02 . 2 . . . . 28 ASP HB2 . 7266 1 335 . 1 1 50 50 ASP HB3 H 1 2.65 0.02 . 2 . . . . 28 ASP HB3 . 7266 1 336 . 1 1 50 50 ASP C C 13 175.3 0.2 . 1 . . . . 28 ASP C . 7266 1 337 . 1 1 50 50 ASP CA C 13 54.1 0.2 . 1 . . . . 28 ASP CA . 7266 1 338 . 1 1 50 50 ASP CB C 13 41.6 0.2 . 1 . . . . 28 ASP CB . 7266 1 339 . 1 1 50 50 ASP N N 15 127.6 0.2 . 1 . . . . 28 ASP N . 7266 1 340 . 1 1 51 51 ASP H H 1 9.00 0.02 . 1 . . . . 29 ASP H . 7266 1 341 . 1 1 51 51 ASP HA H 1 4.26 0.02 . 1 . . . . 29 ASP HA . 7266 1 342 . 1 1 51 51 ASP HB2 H 1 2.70 0.02 . 2 . . . . 29 ASP HB2 . 7266 1 343 . 1 1 51 51 ASP HB3 H 1 3.09 0.02 . 2 . . . . 29 ASP HB3 . 7266 1 344 . 1 1 51 51 ASP C C 13 177.4 0.2 . 1 . . . . 29 ASP C . 7266 1 345 . 1 1 51 51 ASP CA C 13 57.2 0.2 . 1 . . . . 29 ASP CA . 7266 1 346 . 1 1 51 51 ASP CB C 13 39.7 0.2 . 1 . . . . 29 ASP CB . 7266 1 347 . 1 1 51 51 ASP N N 15 128.0 0.2 . 1 . . . . 29 ASP N . 7266 1 348 . 1 1 52 52 LYS H H 1 7.86 0.02 . 1 . . . . 30 LYS H . 7266 1 349 . 1 1 52 52 LYS HA H 1 3.98 0.02 . 1 . . . . 30 LYS HA . 7266 1 350 . 1 1 52 52 LYS HB2 H 1 1.78 0.02 . 2 . . . . 30 LYS HB2 . 7266 1 351 . 1 1 52 52 LYS HB3 H 1 1.87 0.02 . 2 . . . . 30 LYS HB3 . 7266 1 352 . 1 1 52 52 LYS HG2 H 1 1.36 0.02 . 2 . . . . 30 LYS HG2 . 7266 1 353 . 1 1 52 52 LYS HG3 H 1 1.53 0.02 . 2 . . . . 30 LYS HG3 . 7266 1 354 . 1 1 52 52 LYS HD2 H 1 1.66 0.02 . 2 . . . . 30 LYS HD2 . 7266 1 355 . 1 1 52 52 LYS HD3 H 1 1.69 0.02 . 2 . . . . 30 LYS HD3 . 7266 1 356 . 1 1 52 52 LYS HE2 H 1 2.98 0.02 . 2 . . . . 30 LYS HE2 . 7266 1 357 . 1 1 52 52 LYS HE3 H 1 3.00 0.02 . 2 . . . . 30 LYS HE3 . 7266 1 358 . 1 1 52 52 LYS C C 13 179.6 0.2 . 1 . . . . 30 LYS C . 7266 1 359 . 1 1 52 52 LYS CA C 13 59.1 0.2 . 1 . . . . 30 LYS CA . 7266 1 360 . 1 1 52 52 LYS CB C 13 32.1 0.2 . 1 . . . . 30 LYS CB . 7266 1 361 . 1 1 52 52 LYS CG C 13 25.1 0.2 . 1 . . . . 30 LYS CG . 7266 1 362 . 1 1 52 52 LYS CD C 13 28.8 0.2 . 1 . . . . 30 LYS CD . 7266 1 363 . 1 1 52 52 LYS CE C 13 42.2 0.2 . 1 . . . . 30 LYS CE . 7266 1 364 . 1 1 52 52 LYS N N 15 117.5 0.2 . 1 . . . . 30 LYS N . 7266 1 365 . 1 1 53 53 LYS H H 1 7.69 0.02 . 1 . . . . 31 LYS H . 7266 1 366 . 1 1 53 53 LYS HA H 1 3.55 0.02 . 1 . . . . 31 LYS HA . 7266 1 367 . 1 1 53 53 LYS HB2 H 1 1.35 0.02 . 2 . . . . 31 LYS HB2 . 7266 1 368 . 1 1 53 53 LYS HB3 H 1 1.49 0.02 . 2 . . . . 31 LYS HB3 . 7266 1 369 . 1 1 53 53 LYS HG2 H 1 1.04 0.02 . 2 . . . . 31 LYS HG2 . 7266 1 370 . 1 1 53 53 LYS HG3 H 1 1.06 0.02 . 2 . . . . 31 LYS HG3 . 7266 1 371 . 1 1 53 53 LYS HD2 H 1 1.43 0.02 . 2 . . . . 31 LYS HD2 . 7266 1 372 . 1 1 53 53 LYS HD3 H 1 1.51 0.02 . 2 . . . . 31 LYS HD3 . 7266 1 373 . 1 1 53 53 LYS HE2 H 1 2.80 0.02 . 2 . . . . 31 LYS HE2 . 7266 1 374 . 1 1 53 53 LYS HE3 H 1 2.84 0.02 . 2 . . . . 31 LYS HE3 . 7266 1 375 . 1 1 53 53 LYS C C 13 177.1 0.2 . 1 . . . . 31 LYS C . 7266 1 376 . 1 1 53 53 LYS CA C 13 58.0 0.2 . 1 . . . . 31 LYS CA . 7266 1 377 . 1 1 53 53 LYS CB C 13 31.4 0.2 . 1 . . . . 31 LYS CB . 7266 1 378 . 1 1 53 53 LYS CG C 13 24.4 0.2 . 1 . . . . 31 LYS CG . 7266 1 379 . 1 1 53 53 LYS CD C 13 28.4 0.2 . 1 . . . . 31 LYS CD . 7266 1 380 . 1 1 53 53 LYS CE C 13 41.9 0.2 . 1 . . . . 31 LYS CE . 7266 1 381 . 1 1 53 53 LYS N N 15 121.7 0.2 . 1 . . . . 31 LYS N . 7266 1 382 . 1 1 54 54 ALA H H 1 7.49 0.02 . 1 . . . . 32 ALA H . 7266 1 383 . 1 1 54 54 ALA HA H 1 3.59 0.02 . 1 . . . . 32 ALA HA . 7266 1 384 . 1 1 54 54 ALA HB1 H 1 0.36 0.02 . 1 . . . . 32 ALA HB . 7266 1 385 . 1 1 54 54 ALA HB2 H 1 0.36 0.02 . 1 . . . . 32 ALA HB . 7266 1 386 . 1 1 54 54 ALA HB3 H 1 0.36 0.02 . 1 . . . . 32 ALA HB . 7266 1 387 . 1 1 54 54 ALA C C 13 178.6 0.2 . 1 . . . . 32 ALA C . 7266 1 388 . 1 1 54 54 ALA CA C 13 56.1 0.2 . 1 . . . . 32 ALA CA . 7266 1 389 . 1 1 54 54 ALA CB C 13 16.1 0.2 . 1 . . . . 32 ALA CB . 7266 1 390 . 1 1 54 54 ALA N N 15 119.5 0.2 . 1 . . . . 32 ALA N . 7266 1 391 . 1 1 55 55 ILE H H 1 6.82 0.02 . 1 . . . . 33 ILE H . 7266 1 392 . 1 1 55 55 ILE HA H 1 3.44 0.02 . 1 . . . . 33 ILE HA . 7266 1 393 . 1 1 55 55 ILE HB H 1 1.79 0.02 . 1 . . . . 33 ILE HB . 7266 1 394 . 1 1 55 55 ILE HG12 H 1 0.68 0.02 . 2 . . . . 33 ILE HG12 . 7266 1 395 . 1 1 55 55 ILE HG13 H 1 1.73 0.02 . 2 . . . . 33 ILE HG13 . 7266 1 396 . 1 1 55 55 ILE HG21 H 1 0.79 0.02 . 1 . . . . 33 ILE HG2 . 7266 1 397 . 1 1 55 55 ILE HG22 H 1 0.79 0.02 . 1 . . . . 33 ILE HG2 . 7266 1 398 . 1 1 55 55 ILE HG23 H 1 0.79 0.02 . 1 . . . . 33 ILE HG2 . 7266 1 399 . 1 1 55 55 ILE HD11 H 1 0.84 0.02 . 1 . . . . 33 ILE HD1 . 7266 1 400 . 1 1 55 55 ILE HD12 H 1 0.84 0.02 . 1 . . . . 33 ILE HD1 . 7266 1 401 . 1 1 55 55 ILE HD13 H 1 0.84 0.02 . 1 . . . . 33 ILE HD1 . 7266 1 402 . 1 1 55 55 ILE C C 13 177.4 0.2 . 1 . . . . 33 ILE C . 7266 1 403 . 1 1 55 55 ILE CA C 13 65.2 0.2 . 1 . . . . 33 ILE CA . 7266 1 404 . 1 1 55 55 ILE CB C 13 38.7 0.2 . 1 . . . . 33 ILE CB . 7266 1 405 . 1 1 55 55 ILE CG1 C 13 30.8 0.2 . 1 . . . . 33 ILE CG1 . 7266 1 406 . 1 1 55 55 ILE CG2 C 13 17.5 0.2 . 1 . . . . 33 ILE CG2 . 7266 1 407 . 1 1 55 55 ILE CD1 C 13 14.3 0.2 . 1 . . . . 33 ILE CD1 . 7266 1 408 . 1 1 55 55 ILE N N 15 115.4 0.2 . 1 . . . . 33 ILE N . 7266 1 409 . 1 1 56 56 GLU H H 1 7.26 0.02 . 1 . . . . 34 GLU H . 7266 1 410 . 1 1 56 56 GLU HA H 1 3.86 0.02 . 1 . . . . 34 GLU HA . 7266 1 411 . 1 1 56 56 GLU HB2 H 1 1.87 0.02 . 2 . . . . 34 GLU HB2 . 7266 1 412 . 1 1 56 56 GLU HB3 H 1 1.92 0.02 . 2 . . . . 34 GLU HB3 . 7266 1 413 . 1 1 56 56 GLU HG2 H 1 2.11 0.02 . 2 . . . . 34 GLU HG2 . 7266 1 414 . 1 1 56 56 GLU HG3 H 1 2.25 0.02 . 2 . . . . 34 GLU HG3 . 7266 1 415 . 1 1 56 56 GLU C C 13 180.1 0.2 . 1 . . . . 34 GLU C . 7266 1 416 . 1 1 56 56 GLU CA C 13 59.3 0.2 . 1 . . . . 34 GLU CA . 7266 1 417 . 1 1 56 56 GLU CB C 13 28.8 0.2 . 1 . . . . 34 GLU CB . 7266 1 418 . 1 1 56 56 GLU CG C 13 36.0 0.2 . 1 . . . . 34 GLU CG . 7266 1 419 . 1 1 56 56 GLU N N 15 119.1 0.2 . 1 . . . . 34 GLU N . 7266 1 420 . 1 1 57 57 PHE H H 1 8.41 0.02 . 1 . . . . 35 PHE H . 7266 1 421 . 1 1 57 57 PHE HA H 1 4.18 0.02 . 1 . . . . 35 PHE HA . 7266 1 422 . 1 1 57 57 PHE HB2 H 1 1.71 0.02 . 2 . . . . 35 PHE HB2 . 7266 1 423 . 1 1 57 57 PHE HB3 H 1 2.68 0.02 . 2 . . . . 35 PHE HB3 . 7266 1 424 . 1 1 57 57 PHE HD1 H 1 6.78 0.02 . 3 . . . . 35 PHE HD1 . 7266 1 425 . 1 1 57 57 PHE HE1 H 1 7.42 0.02 . 3 . . . . 35 PHE HE1 . 7266 1 426 . 1 1 57 57 PHE HZ H 1 7.40 0.02 . 1 . . . . 35 PHE HZ . 7266 1 427 . 1 1 57 57 PHE C C 13 177.7 0.2 . 1 . . . . 35 PHE C . 7266 1 428 . 1 1 57 57 PHE CA C 13 58.0 0.2 . 1 . . . . 35 PHE CA . 7266 1 429 . 1 1 57 57 PHE CB C 13 37.2 0.2 . 1 . . . . 35 PHE CB . 7266 1 430 . 1 1 57 57 PHE CD1 C 13 130.9 0.2 . 3 . . . . 35 PHE CD1 . 7266 1 431 . 1 1 57 57 PHE CE1 C 13 131.3 0.2 . 3 . . . . 35 PHE CE1 . 7266 1 432 . 1 1 57 57 PHE CZ C 13 129.7 0.2 . 1 . . . . 35 PHE CZ . 7266 1 433 . 1 1 57 57 PHE N N 15 120.5 0.2 . 1 . . . . 35 PHE N . 7266 1 434 . 1 1 58 58 ALA H H 1 8.38 0.02 . 1 . . . . 36 ALA H . 7266 1 435 . 1 1 58 58 ALA HA H 1 4.05 0.02 . 1 . . . . 36 ALA HA . 7266 1 436 . 1 1 58 58 ALA HB1 H 1 1.70 0.02 . 1 . . . . 36 ALA HB . 7266 1 437 . 1 1 58 58 ALA HB2 H 1 1.70 0.02 . 1 . . . . 36 ALA HB . 7266 1 438 . 1 1 58 58 ALA HB3 H 1 1.70 0.02 . 1 . . . . 36 ALA HB . 7266 1 439 . 1 1 58 58 ALA C C 13 179.6 0.2 . 1 . . . . 36 ALA C . 7266 1 440 . 1 1 58 58 ALA CA C 13 56.1 0.2 . 1 . . . . 36 ALA CA . 7266 1 441 . 1 1 58 58 ALA CB C 13 17.9 0.2 . 1 . . . . 36 ALA CB . 7266 1 442 . 1 1 58 58 ALA N N 15 121.1 0.2 . 1 . . . . 36 ALA N . 7266 1 443 . 1 1 59 59 LYS H H 1 8.48 0.02 . 1 . . . . 37 LYS H . 7266 1 444 . 1 1 59 59 LYS HA H 1 3.95 0.02 . 1 . . . . 37 LYS HA . 7266 1 445 . 1 1 59 59 LYS HB2 H 1 1.96 0.02 . 2 . . . . 37 LYS HB2 . 7266 1 446 . 1 1 59 59 LYS HB3 H 1 1.98 0.02 . 2 . . . . 37 LYS HB3 . 7266 1 447 . 1 1 59 59 LYS HG2 H 1 1.42 0.02 . 2 . . . . 37 LYS HG2 . 7266 1 448 . 1 1 59 59 LYS HG3 H 1 1.76 0.02 . 2 . . . . 37 LYS HG3 . 7266 1 449 . 1 1 59 59 LYS HD2 H 1 1.74 0.02 . 2 . . . . 37 LYS HD2 . 7266 1 450 . 1 1 59 59 LYS HD3 H 1 1.77 0.02 . 2 . . . . 37 LYS HD3 . 7266 1 451 . 1 1 59 59 LYS HE2 H 1 3.05 0.02 . 2 . . . . 37 LYS HE2 . 7266 1 452 . 1 1 59 59 LYS HE3 H 1 3.07 0.02 . 2 . . . . 37 LYS HE3 . 7266 1 453 . 1 1 59 59 LYS C C 13 179.6 0.2 . 1 . . . . 37 LYS C . 7266 1 454 . 1 1 59 59 LYS CA C 13 60.5 0.2 . 1 . . . . 37 LYS CA . 7266 1 455 . 1 1 59 59 LYS CB C 13 32.4 0.2 . 1 . . . . 37 LYS CB . 7266 1 456 . 1 1 59 59 LYS CG C 13 26.0 0.2 . 1 . . . . 37 LYS CG . 7266 1 457 . 1 1 59 59 LYS CD C 13 29.6 0.2 . 1 . . . . 37 LYS CD . 7266 1 458 . 1 1 59 59 LYS CE C 13 41.8 0.2 . 1 . . . . 37 LYS CE . 7266 1 459 . 1 1 59 59 LYS N N 15 115.5 0.2 . 1 . . . . 37 LYS N . 7266 1 460 . 1 1 60 60 GLN H H 1 8.45 0.02 . 1 . . . . 38 GLN H . 7266 1 461 . 1 1 60 60 GLN HA H 1 4.08 0.02 . 1 . . . . 38 GLN HA . 7266 1 462 . 1 1 60 60 GLN HB2 H 1 2.30 0.02 . 2 . . . . 38 GLN HB2 . 7266 1 463 . 1 1 60 60 GLN HB3 H 1 2.40 0.02 . 2 . . . . 38 GLN HB3 . 7266 1 464 . 1 1 60 60 GLN HG2 H 1 2.45 0.02 . 2 . . . . 38 GLN HG2 . 7266 1 465 . 1 1 60 60 GLN HG3 H 1 2.66 0.02 . 2 . . . . 38 GLN HG3 . 7266 1 466 . 1 1 60 60 GLN HE21 H 1 7.06 0.02 . 2 . . . . 38 GLN HE21 . 7266 1 467 . 1 1 60 60 GLN HE22 H 1 7.62 0.02 . 2 . . . . 38 GLN HE22 . 7266 1 468 . 1 1 60 60 GLN C C 13 179.5 0.2 . 1 . . . . 38 GLN C . 7266 1 469 . 1 1 60 60 GLN CA C 13 59.3 0.2 . 1 . . . . 38 GLN CA . 7266 1 470 . 1 1 60 60 GLN CB C 13 28.5 0.2 . 1 . . . . 38 GLN CB . 7266 1 471 . 1 1 60 60 GLN CG C 13 34.1 0.2 . 1 . . . . 38 GLN CG . 7266 1 472 . 1 1 60 60 GLN N N 15 122.1 0.2 . 1 . . . . 38 GLN N . 7266 1 473 . 1 1 60 60 GLN NE2 N 15 111.2 0.2 . 1 . . . . 38 GLN NE2 . 7266 1 474 . 1 1 61 61 TRP H H 1 8.66 0.02 . 1 . . . . 39 TRP H . 7266 1 475 . 1 1 61 61 TRP HA H 1 4.26 0.02 . 1 . . . . 39 TRP HA . 7266 1 476 . 1 1 61 61 TRP HB2 H 1 3.18 0.02 . 2 . . . . 39 TRP HB2 . 7266 1 477 . 1 1 61 61 TRP HB3 H 1 3.27 0.02 . 2 . . . . 39 TRP HB3 . 7266 1 478 . 1 1 61 61 TRP HD1 H 1 7.19 0.02 . 1 . . . . 39 TRP HD1 . 7266 1 479 . 1 1 61 61 TRP HE1 H 1 9.91 0.02 . 1 . . . . 39 TRP HE1 . 7266 1 480 . 1 1 61 61 TRP HE3 H 1 6.58 0.02 . 1 . . . . 39 TRP HE3 . 7266 1 481 . 1 1 61 61 TRP HZ2 H 1 7.06 0.02 . 1 . . . . 39 TRP HZ2 . 7266 1 482 . 1 1 61 61 TRP HZ3 H 1 5.41 0.02 . 1 . . . . 39 TRP HZ3 . 7266 1 483 . 1 1 61 61 TRP HH2 H 1 6.47 0.02 . 1 . . . . 39 TRP HH2 . 7266 1 484 . 1 1 61 61 TRP C C 13 179.9 0.2 . 1 . . . . 39 TRP C . 7266 1 485 . 1 1 61 61 TRP CA C 13 62.2 0.2 . 1 . . . . 39 TRP CA . 7266 1 486 . 1 1 61 61 TRP CB C 13 27.2 0.2 . 1 . . . . 39 TRP CB . 7266 1 487 . 1 1 61 61 TRP CD1 C 13 126.2 0.2 . 1 . . . . 39 TRP CD1 . 7266 1 488 . 1 1 61 61 TRP CE3 C 13 119.0 0.2 . 1 . . . . 39 TRP CE3 . 7266 1 489 . 1 1 61 61 TRP CZ2 C 13 113.1 0.2 . 1 . . . . 39 TRP CZ2 . 7266 1 490 . 1 1 61 61 TRP CZ3 C 13 121.5 0.2 . 1 . . . . 39 TRP CZ3 . 7266 1 491 . 1 1 61 61 TRP CH2 C 13 123.0 0.2 . 1 . . . . 39 TRP CH2 . 7266 1 492 . 1 1 61 61 TRP N N 15 123.0 0.2 . 1 . . . . 39 TRP N . 7266 1 493 . 1 1 61 61 TRP NE1 N 15 129.5 0.2 . 1 . . . . 39 TRP NE1 . 7266 1 494 . 1 1 62 62 LEU H H 1 8.82 0.02 . 1 . . . . 40 LEU H . 7266 1 495 . 1 1 62 62 LEU HA H 1 3.18 0.02 . 1 . . . . 40 LEU HA . 7266 1 496 . 1 1 62 62 LEU HB2 H 1 1.37 0.02 . 2 . . . . 40 LEU HB2 . 7266 1 497 . 1 1 62 62 LEU HB3 H 1 1.83 0.02 . 2 . . . . 40 LEU HB3 . 7266 1 498 . 1 1 62 62 LEU HG H 1 1.92 0.02 . 1 . . . . 40 LEU HG . 7266 1 499 . 1 1 62 62 LEU HD11 H 1 0.92 0.02 . 1 . . . . 40 LEU HD1 . 7266 1 500 . 1 1 62 62 LEU HD12 H 1 0.92 0.02 . 1 . . . . 40 LEU HD1 . 7266 1 501 . 1 1 62 62 LEU HD13 H 1 0.92 0.02 . 1 . . . . 40 LEU HD1 . 7266 1 502 . 1 1 62 62 LEU HD21 H 1 0.62 0.02 . 1 . . . . 40 LEU HD2 . 7266 1 503 . 1 1 62 62 LEU HD22 H 1 0.62 0.02 . 1 . . . . 40 LEU HD2 . 7266 1 504 . 1 1 62 62 LEU HD23 H 1 0.62 0.02 . 1 . . . . 40 LEU HD2 . 7266 1 505 . 1 1 62 62 LEU C C 13 179.4 0.2 . 1 . . . . 40 LEU C . 7266 1 506 . 1 1 62 62 LEU CA C 13 57.3 0.2 . 1 . . . . 40 LEU CA . 7266 1 507 . 1 1 62 62 LEU CB C 13 40.4 0.2 . 1 . . . . 40 LEU CB . 7266 1 508 . 1 1 62 62 LEU CG C 13 27.2 0.2 . 1 . . . . 40 LEU CG . 7266 1 509 . 1 1 62 62 LEU CD1 C 13 27.9 0.2 . 1 . . . . 40 LEU CD1 . 7266 1 510 . 1 1 62 62 LEU CD2 C 13 24.0 0.2 . 1 . . . . 40 LEU CD2 . 7266 1 511 . 1 1 62 62 LEU N N 15 120.7 0.2 . 1 . . . . 40 LEU N . 7266 1 512 . 1 1 63 63 SER H H 1 8.29 0.02 . 1 . . . . 41 SER H . 7266 1 513 . 1 1 63 63 SER HA H 1 3.85 0.02 . 1 . . . . 41 SER HA . 7266 1 514 . 1 1 63 63 SER HB2 H 1 3.96 0.02 . 2 . . . . 41 SER HB2 . 7266 1 515 . 1 1 63 63 SER HB3 H 1 4.04 0.02 . 2 . . . . 41 SER HB3 . 7266 1 516 . 1 1 63 63 SER C C 13 176.9 0.2 . 1 . . . . 41 SER C . 7266 1 517 . 1 1 63 63 SER CA C 13 62.3 0.2 . 1 . . . . 41 SER CA . 7266 1 518 . 1 1 63 63 SER CB C 13 62.4 0.2 . 1 . . . . 41 SER CB . 7266 1 519 . 1 1 63 63 SER N N 15 114.3 0.2 . 1 . . . . 41 SER N . 7266 1 520 . 1 1 64 64 SER H H 1 7.78 0.02 . 1 . . . . 42 SER H . 7266 1 521 . 1 1 64 64 SER HA H 1 4.33 0.02 . 1 . . . . 42 SER HA . 7266 1 522 . 1 1 64 64 SER HB2 H 1 3.96 0.02 . 2 . . . . 42 SER HB2 . 7266 1 523 . 1 1 64 64 SER HB3 H 1 4.03 0.02 . 2 . . . . 42 SER HB3 . 7266 1 524 . 1 1 64 64 SER C C 13 175.1 0.2 . 1 . . . . 42 SER C . 7266 1 525 . 1 1 64 64 SER CA C 13 61.0 0.2 . 1 . . . . 42 SER CA . 7266 1 526 . 1 1 64 64 SER CB C 13 63.3 0.2 . 1 . . . . 42 SER CB . 7266 1 527 . 1 1 64 64 SER N N 15 119.1 0.2 . 1 . . . . 42 SER N . 7266 1 528 . 1 1 65 65 ILE H H 1 6.79 0.02 . 1 . . . . 43 ILE H . 7266 1 529 . 1 1 65 65 ILE HA H 1 4.52 0.02 . 1 . . . . 43 ILE HA . 7266 1 530 . 1 1 65 65 ILE HB H 1 1.96 0.02 . 1 . . . . 43 ILE HB . 7266 1 531 . 1 1 65 65 ILE HG12 H 1 0.29 0.02 . 2 . . . . 43 ILE HG12 . 7266 1 532 . 1 1 65 65 ILE HG13 H 1 0.71 0.02 . 2 . . . . 43 ILE HG13 . 7266 1 533 . 1 1 65 65 ILE HG21 H 1 0.36 0.02 . 1 . . . . 43 ILE HG2 . 7266 1 534 . 1 1 65 65 ILE HG22 H 1 0.36 0.02 . 1 . . . . 43 ILE HG2 . 7266 1 535 . 1 1 65 65 ILE HG23 H 1 0.36 0.02 . 1 . . . . 43 ILE HG2 . 7266 1 536 . 1 1 65 65 ILE HD11 H 1 0.05 0.02 . 1 . . . . 43 ILE HD1 . 7266 1 537 . 1 1 65 65 ILE HD12 H 1 0.05 0.02 . 1 . . . . 43 ILE HD1 . 7266 1 538 . 1 1 65 65 ILE HD13 H 1 0.05 0.02 . 1 . . . . 43 ILE HD1 . 7266 1 539 . 1 1 65 65 ILE C C 13 176.4 0.2 . 1 . . . . 43 ILE C . 7266 1 540 . 1 1 65 65 ILE CA C 13 60.8 0.2 . 1 . . . . 43 ILE CA . 7266 1 541 . 1 1 65 65 ILE CB C 13 37.8 0.2 . 1 . . . . 43 ILE CB . 7266 1 542 . 1 1 65 65 ILE CG1 C 13 26.4 0.2 . 1 . . . . 43 ILE CG1 . 7266 1 543 . 1 1 65 65 ILE CG2 C 13 17.4 0.2 . 1 . . . . 43 ILE CG2 . 7266 1 544 . 1 1 65 65 ILE CD1 C 13 14.8 0.2 . 1 . . . . 43 ILE CD1 . 7266 1 545 . 1 1 65 65 ILE N N 15 113.8 0.2 . 1 . . . . 43 ILE N . 7266 1 546 . 1 1 66 66 GLY H H 1 7.51 0.02 . 1 . . . . 44 GLY H . 7266 1 547 . 1 1 66 66 GLY HA2 H 1 3.88 0.02 . 2 . . . . 44 GLY HA2 . 7266 1 548 . 1 1 66 66 GLY HA3 H 1 4.23 0.02 . 2 . . . . 44 GLY HA3 . 7266 1 549 . 1 1 66 66 GLY C C 13 175.0 0.2 . 1 . . . . 44 GLY C . 7266 1 550 . 1 1 66 66 GLY CA C 13 46.1 0.2 . 1 . . . . 44 GLY CA . 7266 1 551 . 1 1 66 66 GLY N N 15 108.6 0.2 . 1 . . . . 44 GLY N . 7266 1 552 . 1 1 67 67 GLU H H 1 7.99 0.02 . 1 . . . . 45 GLU H . 7266 1 553 . 1 1 67 67 GLU HA H 1 4.56 0.02 . 1 . . . . 45 GLU HA . 7266 1 554 . 1 1 67 67 GLU HB2 H 1 1.26 0.02 . 2 . . . . 45 GLU HB2 . 7266 1 555 . 1 1 67 67 GLU HB3 H 1 2.24 0.02 . 2 . . . . 45 GLU HB3 . 7266 1 556 . 1 1 67 67 GLU HG2 H 1 1.79 0.02 . 2 . . . . 45 GLU HG2 . 7266 1 557 . 1 1 67 67 GLU HG3 H 1 1.95 0.02 . 2 . . . . 45 GLU HG3 . 7266 1 558 . 1 1 67 67 GLU C C 13 176.2 0.2 . 1 . . . . 45 GLU C . 7266 1 559 . 1 1 67 67 GLU CA C 13 53.7 0.2 . 1 . . . . 45 GLU CA . 7266 1 560 . 1 1 67 67 GLU CB C 13 27.9 0.2 . 1 . . . . 45 GLU CB . 7266 1 561 . 1 1 67 67 GLU CG C 13 33.7 0.2 . 1 . . . . 45 GLU CG . 7266 1 562 . 1 1 67 67 GLU N N 15 120.9 0.2 . 1 . . . . 45 GLU N . 7266 1 563 . 1 1 68 68 GLU H H 1 8.40 0.02 . 1 . . . . 46 GLU H . 7266 1 564 . 1 1 68 68 GLU HA H 1 4.07 0.02 . 1 . . . . 46 GLU HA . 7266 1 565 . 1 1 68 68 GLU HB2 H 1 2.00 0.02 . 2 . . . . 46 GLU HB2 . 7266 1 566 . 1 1 68 68 GLU HB3 H 1 2.04 0.02 . 2 . . . . 46 GLU HB3 . 7266 1 567 . 1 1 68 68 GLU HG2 H 1 2.18 0.02 . 2 . . . . 46 GLU HG2 . 7266 1 568 . 1 1 68 68 GLU HG3 H 1 2.28 0.02 . 2 . . . . 46 GLU HG3 . 7266 1 569 . 1 1 68 68 GLU CA C 13 58.1 0.2 . 1 . . . . 46 GLU CA . 7266 1 570 . 1 1 68 68 GLU CB C 13 29.4 0.2 . 1 . . . . 46 GLU CB . 7266 1 571 . 1 1 68 68 GLU CG C 13 35.6 0.2 . 1 . . . . 46 GLU CG . 7266 1 572 . 1 1 68 68 GLU N N 15 119.9 0.2 . 1 . . . . 46 GLU N . 7266 1 573 . 1 1 69 69 GLY HA2 H 1 3.78 0.02 . 2 . . . . 47 GLY HA2 . 7266 1 574 . 1 1 69 69 GLY HA3 H 1 3.94 0.02 . 2 . . . . 47 GLY HA3 . 7266 1 575 . 1 1 69 69 GLY C C 13 174.4 0.2 . 1 . . . . 47 GLY C . 7266 1 576 . 1 1 69 69 GLY CA C 13 44.8 0.2 . 1 . . . . 47 GLY CA . 7266 1 577 . 1 1 70 70 ALA H H 1 7.20 0.02 . 1 . . . . 48 ALA H . 7266 1 578 . 1 1 70 70 ALA HA H 1 4.25 0.02 . 1 . . . . 48 ALA HA . 7266 1 579 . 1 1 70 70 ALA HB1 H 1 1.34 0.02 . 1 . . . . 48 ALA HB . 7266 1 580 . 1 1 70 70 ALA HB2 H 1 1.34 0.02 . 1 . . . . 48 ALA HB . 7266 1 581 . 1 1 70 70 ALA HB3 H 1 1.34 0.02 . 1 . . . . 48 ALA HB . 7266 1 582 . 1 1 70 70 ALA C C 13 177.6 0.2 . 1 . . . . 48 ALA C . 7266 1 583 . 1 1 70 70 ALA CA C 13 52.7 0.2 . 1 . . . . 48 ALA CA . 7266 1 584 . 1 1 70 70 ALA CB C 13 19.3 0.2 . 1 . . . . 48 ALA CB . 7266 1 585 . 1 1 70 70 ALA N N 15 123.7 0.2 . 1 . . . . 48 ALA N . 7266 1 586 . 1 1 71 71 THR H H 1 8.77 0.02 . 1 . . . . 49 THR H . 7266 1 587 . 1 1 71 71 THR HA H 1 4.16 0.02 . 1 . . . . 49 THR HA . 7266 1 588 . 1 1 71 71 THR HB H 1 4.01 0.02 . 1 . . . . 49 THR HB . 7266 1 589 . 1 1 71 71 THR HG21 H 1 1.19 0.02 . 1 . . . . 49 THR HG2 . 7266 1 590 . 1 1 71 71 THR HG22 H 1 1.19 0.02 . 1 . . . . 49 THR HG2 . 7266 1 591 . 1 1 71 71 THR HG23 H 1 1.19 0.02 . 1 . . . . 49 THR HG2 . 7266 1 592 . 1 1 71 71 THR C C 13 173.9 0.2 . 1 . . . . 49 THR C . 7266 1 593 . 1 1 71 71 THR CA C 13 63.4 0.2 . 1 . . . . 49 THR CA . 7266 1 594 . 1 1 71 71 THR CB C 13 69.4 0.2 . 1 . . . . 49 THR CB . 7266 1 595 . 1 1 71 71 THR CG2 C 13 21.8 0.2 . 1 . . . . 49 THR CG2 . 7266 1 596 . 1 1 71 71 THR N N 15 120.3 0.2 . 1 . . . . 49 THR N . 7266 1 597 . 1 1 72 72 VAL H H 1 8.44 0.02 . 1 . . . . 50 VAL H . 7266 1 598 . 1 1 72 72 VAL HA H 1 4.15 0.02 . 1 . . . . 50 VAL HA . 7266 1 599 . 1 1 72 72 VAL HB H 1 2.01 0.02 . 1 . . . . 50 VAL HB . 7266 1 600 . 1 1 72 72 VAL HG11 H 1 0.92 0.02 . 1 . . . . 50 VAL HG1 . 7266 1 601 . 1 1 72 72 VAL HG12 H 1 0.92 0.02 . 1 . . . . 50 VAL HG1 . 7266 1 602 . 1 1 72 72 VAL HG13 H 1 0.92 0.02 . 1 . . . . 50 VAL HG1 . 7266 1 603 . 1 1 72 72 VAL HG21 H 1 0.78 0.02 . 1 . . . . 50 VAL HG2 . 7266 1 604 . 1 1 72 72 VAL HG22 H 1 0.78 0.02 . 1 . . . . 50 VAL HG2 . 7266 1 605 . 1 1 72 72 VAL HG23 H 1 0.78 0.02 . 1 . . . . 50 VAL HG2 . 7266 1 606 . 1 1 72 72 VAL C C 13 172.8 0.2 . 1 . . . . 50 VAL C . 7266 1 607 . 1 1 72 72 VAL CA C 13 62.9 0.2 . 1 . . . . 50 VAL CA . 7266 1 608 . 1 1 72 72 VAL CB C 13 33.3 0.2 . 1 . . . . 50 VAL CB . 7266 1 609 . 1 1 72 72 VAL CG1 C 13 22.5 0.2 . 1 . . . . 50 VAL CG1 . 7266 1 610 . 1 1 72 72 VAL CG2 C 13 21.1 0.2 . 1 . . . . 50 VAL CG2 . 7266 1 611 . 1 1 72 72 VAL N N 15 126.2 0.2 . 1 . . . . 50 VAL N . 7266 1 612 . 1 1 73 73 THR H H 1 9.47 0.02 . 1 . . . . 51 THR H . 7266 1 613 . 1 1 73 73 THR HA H 1 4.92 0.02 . 1 . . . . 51 THR HA . 7266 1 614 . 1 1 73 73 THR HB H 1 4.64 0.02 . 1 . . . . 51 THR HB . 7266 1 615 . 1 1 73 73 THR HG21 H 1 1.22 0.02 . 1 . . . . 51 THR HG2 . 7266 1 616 . 1 1 73 73 THR HG22 H 1 1.22 0.02 . 1 . . . . 51 THR HG2 . 7266 1 617 . 1 1 73 73 THR HG23 H 1 1.22 0.02 . 1 . . . . 51 THR HG2 . 7266 1 618 . 1 1 73 73 THR C C 13 175.2 0.2 . 1 . . . . 51 THR C . 7266 1 619 . 1 1 73 73 THR CA C 13 60.3 0.2 . 1 . . . . 51 THR CA . 7266 1 620 . 1 1 73 73 THR CB C 13 73.3 0.2 . 1 . . . . 51 THR CB . 7266 1 621 . 1 1 73 73 THR CG2 C 13 21.4 0.2 . 1 . . . . 51 THR CG2 . 7266 1 622 . 1 1 73 73 THR N N 15 120.9 0.2 . 1 . . . . 51 THR N . 7266 1 623 . 1 1 74 74 SER H H 1 8.89 0.02 . 1 . . . . 52 SER H . 7266 1 624 . 1 1 74 74 SER HA H 1 4.52 0.02 . 1 . . . . 52 SER HA . 7266 1 625 . 1 1 74 74 SER HB2 H 1 4.00 0.02 . 2 . . . . 52 SER HB2 . 7266 1 626 . 1 1 74 74 SER HB3 H 1 4.10 0.02 . 2 . . . . 52 SER HB3 . 7266 1 627 . 1 1 74 74 SER C C 13 174.8 0.2 . 1 . . . . 52 SER C . 7266 1 628 . 1 1 74 74 SER CA C 13 60.9 0.2 . 1 . . . . 52 SER CA . 7266 1 629 . 1 1 74 74 SER CB C 13 62.8 0.2 . 1 . . . . 52 SER CB . 7266 1 630 . 1 1 74 74 SER N N 15 115.8 0.2 . 1 . . . . 52 SER N . 7266 1 631 . 1 1 75 75 GLU H H 1 8.10 0.02 . 1 . . . . 53 GLU H . 7266 1 632 . 1 1 75 75 GLU HA H 1 4.12 0.02 . 1 . . . . 53 GLU HA . 7266 1 633 . 1 1 75 75 GLU HB2 H 1 1.77 0.02 . 2 . . . . 53 GLU HB2 . 7266 1 634 . 1 1 75 75 GLU HB3 H 1 1.94 0.02 . 2 . . . . 53 GLU HB3 . 7266 1 635 . 1 1 75 75 GLU HG2 H 1 2.16 0.02 . 2 . . . . 53 GLU HG2 . 7266 1 636 . 1 1 75 75 GLU HG3 H 1 2.27 0.02 . 2 . . . . 53 GLU HG3 . 7266 1 637 . 1 1 75 75 GLU C C 13 177.4 0.2 . 1 . . . . 53 GLU C . 7266 1 638 . 1 1 75 75 GLU CA C 13 58.1 0.2 . 1 . . . . 53 GLU CA . 7266 1 639 . 1 1 75 75 GLU CB C 13 29.4 0.2 . 1 . . . . 53 GLU CB . 7266 1 640 . 1 1 75 75 GLU CG C 13 36.4 0.2 . 1 . . . . 53 GLU CG . 7266 1 641 . 1 1 75 75 GLU N N 15 119.1 0.2 . 1 . . . . 53 GLU N . 7266 1 642 . 1 1 76 76 GLU H H 1 7.47 0.02 . 1 . . . . 54 GLU H . 7266 1 643 . 1 1 76 76 GLU HA H 1 4.43 0.02 . 1 . . . . 54 GLU HA . 7266 1 644 . 1 1 76 76 GLU HB2 H 1 2.30 0.02 . 2 . . . . 54 GLU HB2 . 7266 1 645 . 1 1 76 76 GLU HB3 H 1 2.51 0.02 . 2 . . . . 54 GLU HB3 . 7266 1 646 . 1 1 76 76 GLU HG2 H 1 2.32 0.02 . 2 . . . . 54 GLU HG2 . 7266 1 647 . 1 1 76 76 GLU HG3 H 1 2.85 0.02 . 2 . . . . 54 GLU HG3 . 7266 1 648 . 1 1 76 76 GLU C C 13 175.1 0.2 . 1 . . . . 54 GLU C . 7266 1 649 . 1 1 76 76 GLU CA C 13 60.0 0.2 . 1 . . . . 54 GLU CA . 7266 1 650 . 1 1 76 76 GLU CB C 13 31.6 0.2 . 1 . . . . 54 GLU CB . 7266 1 651 . 1 1 76 76 GLU CG C 13 38.5 0.2 . 1 . . . . 54 GLU CG . 7266 1 652 . 1 1 76 76 GLU N N 15 118.1 0.2 . 1 . . . . 54 GLU N . 7266 1 653 . 1 1 77 77 CYS H H 1 7.76 0.02 . 1 . . . . 55 CYS H . 7266 1 654 . 1 1 77 77 CYS HA H 1 4.88 0.02 . 1 . . . . 55 CYS HA . 7266 1 655 . 1 1 77 77 CYS HB2 H 1 2.29 0.02 . 2 . . . . 55 CYS HB2 . 7266 1 656 . 1 1 77 77 CYS HB3 H 1 2.50 0.02 . 2 . . . . 55 CYS HB3 . 7266 1 657 . 1 1 77 77 CYS C C 13 172.7 0.2 . 1 . . . . 55 CYS C . 7266 1 658 . 1 1 77 77 CYS CA C 13 57.9 0.2 . 1 . . . . 55 CYS CA . 7266 1 659 . 1 1 77 77 CYS CB C 13 28.0 0.2 . 1 . . . . 55 CYS CB . 7266 1 660 . 1 1 77 77 CYS N N 15 121.2 0.2 . 1 . . . . 55 CYS N . 7266 1 661 . 1 1 78 78 ARG H H 1 8.33 0.02 . 1 . . . . 56 ARG H . 7266 1 662 . 1 1 78 78 ARG HA H 1 4.95 0.02 . 1 . . . . 56 ARG HA . 7266 1 663 . 1 1 78 78 ARG HB2 H 1 1.75 0.02 . 2 . . . . 56 ARG HB2 . 7266 1 664 . 1 1 78 78 ARG HB3 H 1 1.85 0.02 . 2 . . . . 56 ARG HB3 . 7266 1 665 . 1 1 78 78 ARG HG2 H 1 1.59 0.02 . 2 . . . . 56 ARG HG2 . 7266 1 666 . 1 1 78 78 ARG HG3 H 1 1.79 0.02 . 2 . . . . 56 ARG HG3 . 7266 1 667 . 1 1 78 78 ARG HD2 H 1 3.19 0.02 . 2 . . . . 56 ARG HD2 . 7266 1 668 . 1 1 78 78 ARG HD3 H 1 3.24 0.02 . 2 . . . . 56 ARG HD3 . 7266 1 669 . 1 1 78 78 ARG C C 13 175.3 0.2 . 1 . . . . 56 ARG C . 7266 1 670 . 1 1 78 78 ARG CA C 13 54.4 0.2 . 1 . . . . 56 ARG CA . 7266 1 671 . 1 1 78 78 ARG CB C 13 33.8 0.2 . 1 . . . . 56 ARG CB . 7266 1 672 . 1 1 78 78 ARG CG C 13 26.6 0.2 . 1 . . . . 56 ARG CG . 7266 1 673 . 1 1 78 78 ARG CD C 13 43.5 0.2 . 1 . . . . 56 ARG CD . 7266 1 674 . 1 1 78 78 ARG N N 15 124.4 0.2 . 1 . . . . 56 ARG N . 7266 1 675 . 1 1 79 79 PHE H H 1 9.28 0.02 . 1 . . . . 57 PHE H . 7266 1 676 . 1 1 79 79 PHE HA H 1 3.45 0.02 . 1 . . . . 57 PHE HA . 7266 1 677 . 1 1 79 79 PHE HB2 H 1 2.63 0.02 . 2 . . . . 57 PHE HB2 . 7266 1 678 . 1 1 79 79 PHE HB3 H 1 2.93 0.02 . 2 . . . . 57 PHE HB3 . 7266 1 679 . 1 1 79 79 PHE HD1 H 1 6.49 0.02 . 3 . . . . 57 PHE HD1 . 7266 1 680 . 1 1 79 79 PHE HE1 H 1 7.14 0.02 . 3 . . . . 57 PHE HE1 . 7266 1 681 . 1 1 79 79 PHE HZ H 1 7.39 0.02 . 1 . . . . 57 PHE HZ . 7266 1 682 . 1 1 79 79 PHE C C 13 174.6 0.2 . 1 . . . . 57 PHE C . 7266 1 683 . 1 1 79 79 PHE CA C 13 60.1 0.2 . 1 . . . . 57 PHE CA . 7266 1 684 . 1 1 79 79 PHE CB C 13 38.5 0.2 . 1 . . . . 57 PHE CB . 7266 1 685 . 1 1 79 79 PHE CD1 C 13 131.0 0.2 . 3 . . . . 57 PHE CD1 . 7266 1 686 . 1 1 79 79 PHE CE1 C 13 131.2 0.2 . 3 . . . . 57 PHE CE1 . 7266 1 687 . 1 1 79 79 PHE CZ C 13 129.7 0.2 . 1 . . . . 57 PHE CZ . 7266 1 688 . 1 1 79 79 PHE N N 15 125.9 0.2 . 1 . . . . 57 PHE N . 7266 1 689 . 1 1 80 80 CYS H H 1 8.51 0.02 . 1 . . . . 58 CYS H . 7266 1 690 . 1 1 80 80 CYS HA H 1 4.37 0.02 . 1 . . . . 58 CYS HA . 7266 1 691 . 1 1 80 80 CYS HB2 H 1 2.51 0.02 . 2 . . . . 58 CYS HB2 . 7266 1 692 . 1 1 80 80 CYS HB3 H 1 2.57 0.02 . 2 . . . . 58 CYS HB3 . 7266 1 693 . 1 1 80 80 CYS C C 13 173.6 0.2 . 1 . . . . 58 CYS C . 7266 1 694 . 1 1 80 80 CYS CA C 13 60.0 0.2 . 1 . . . . 58 CYS CA . 7266 1 695 . 1 1 80 80 CYS CB C 13 29.2 0.2 . 1 . . . . 58 CYS CB . 7266 1 696 . 1 1 80 80 CYS N N 15 129.0 0.2 . 1 . . . . 58 CYS N . 7266 1 697 . 1 1 81 81 HIS H H 1 6.36 0.02 . 1 . . . . 59 HIS H . 7266 1 698 . 1 1 81 81 HIS HA H 1 4.43 0.02 . 1 . . . . 59 HIS HA . 7266 1 699 . 1 1 81 81 HIS HB2 H 1 3.12 0.02 . 2 . . . . 59 HIS HB2 . 7266 1 700 . 1 1 81 81 HIS HB3 H 1 3.37 0.02 . 2 . . . . 59 HIS HB3 . 7266 1 701 . 1 1 81 81 HIS HD2 H 1 6.53 0.02 . 1 . . . . 59 HIS HD2 . 7266 1 702 . 1 1 81 81 HIS C C 13 171.6 0.2 . 1 . . . . 59 HIS C . 7266 1 703 . 1 1 81 81 HIS CA C 13 56.3 0.2 . 1 . . . . 59 HIS CA . 7266 1 704 . 1 1 81 81 HIS CB C 13 30.6 0.2 . 1 . . . . 59 HIS CB . 7266 1 705 . 1 1 81 81 HIS CD2 C 13 118.7 0.2 . 1 . . . . 59 HIS CD2 . 7266 1 706 . 1 1 81 81 HIS N N 15 110.8 0.2 . 1 . . . . 59 HIS N . 7266 1 707 . 1 1 82 82 SER H H 1 8.70 0.02 . 1 . . . . 60 SER H . 7266 1 708 . 1 1 82 82 SER HA H 1 5.51 0.02 . 1 . . . . 60 SER HA . 7266 1 709 . 1 1 82 82 SER HB2 H 1 3.51 0.02 . 2 . . . . 60 SER HB2 . 7266 1 710 . 1 1 82 82 SER HB3 H 1 3.80 0.02 . 2 . . . . 60 SER HB3 . 7266 1 711 . 1 1 82 82 SER C C 13 173.5 0.2 . 1 . . . . 60 SER C . 7266 1 712 . 1 1 82 82 SER CA C 13 57.1 0.2 . 1 . . . . 60 SER CA . 7266 1 713 . 1 1 82 82 SER CB C 13 64.2 0.2 . 1 . . . . 60 SER CB . 7266 1 714 . 1 1 82 82 SER N N 15 116.0 0.2 . 1 . . . . 60 SER N . 7266 1 715 . 1 1 83 83 GLU H H 1 8.76 0.02 . 1 . . . . 61 GLU H . 7266 1 716 . 1 1 83 83 GLU HA H 1 4.80 0.02 . 1 . . . . 61 GLU HA . 7266 1 717 . 1 1 83 83 GLU HB2 H 1 1.98 0.02 . 1 . . . . 61 GLU HB2 . 7266 1 718 . 1 1 83 83 GLU HB3 H 1 2.24 0.02 . 1 . . . . 61 GLU HB3 . 7266 1 719 . 1 1 83 83 GLU HG2 H 1 1.50 0.02 . 1 . . . . 61 GLU HG2 . 7266 1 720 . 1 1 83 83 GLU HG3 H 1 1.68 0.02 . 1 . . . . 61 GLU HG3 . 7266 1 721 . 1 1 83 83 GLU C C 13 173.5 0.2 . 1 . . . . 61 GLU C . 7266 1 722 . 1 1 83 83 GLU CA C 13 54.7 0.2 . 1 . . . . 61 GLU CA . 7266 1 723 . 1 1 83 83 GLU CB C 13 33.5 0.2 . 1 . . . . 61 GLU CB . 7266 1 724 . 1 1 83 83 GLU CG C 13 33.0 0.2 . 1 . . . . 61 GLU CG . 7266 1 725 . 1 1 83 83 GLU N N 15 117.5 0.2 . 1 . . . . 61 GLU N . 7266 1 726 . 1 1 84 84 LYS H H 1 8.45 0.02 . 1 . . . . 62 LYS H . 7266 1 727 . 1 1 84 84 LYS HA H 1 4.31 0.02 . 1 . . . . 62 LYS HA . 7266 1 728 . 1 1 84 84 LYS HB2 H 1 1.54 0.02 . 2 . . . . 62 LYS HB2 . 7266 1 729 . 1 1 84 84 LYS HB3 H 1 1.61 0.02 . 2 . . . . 62 LYS HB3 . 7266 1 730 . 1 1 84 84 LYS HG2 H 1 1.22 0.02 . 2 . . . . 62 LYS HG2 . 7266 1 731 . 1 1 84 84 LYS HG3 H 1 1.27 0.02 . 2 . . . . 62 LYS HG3 . 7266 1 732 . 1 1 84 84 LYS HD2 H 1 1.38 0.02 . 2 . . . . 62 LYS HD2 . 7266 1 733 . 1 1 84 84 LYS HD3 H 1 1.46 0.02 . 2 . . . . 62 LYS HD3 . 7266 1 734 . 1 1 84 84 LYS HE2 H 1 2.70 0.02 . 2 . . . . 62 LYS HE2 . 7266 1 735 . 1 1 84 84 LYS HE3 H 1 2.72 0.02 . 2 . . . . 62 LYS HE3 . 7266 1 736 . 1 1 84 84 LYS C C 13 177.1 0.2 . 1 . . . . 62 LYS C . 7266 1 737 . 1 1 84 84 LYS CA C 13 56.7 0.2 . 1 . . . . 62 LYS CA . 7266 1 738 . 1 1 84 84 LYS CB C 13 32.9 0.2 . 1 . . . . 62 LYS CB . 7266 1 739 . 1 1 84 84 LYS CG C 13 24.8 0.2 . 1 . . . . 62 LYS CG . 7266 1 740 . 1 1 84 84 LYS CD C 13 29.1 0.2 . 1 . . . . 62 LYS CD . 7266 1 741 . 1 1 84 84 LYS CE C 13 42.0 0.2 . 1 . . . . 62 LYS CE . 7266 1 742 . 1 1 84 84 LYS N N 15 120.9 0.2 . 1 . . . . 62 LYS N . 7266 1 743 . 1 1 85 85 ALA H H 1 8.65 0.02 . 1 . . . . 63 ALA H . 7266 1 744 . 1 1 85 85 ALA HA H 1 4.18 0.02 . 1 . . . . 63 ALA HA . 7266 1 745 . 1 1 85 85 ALA HB1 H 1 1.03 0.02 . 1 . . . . 63 ALA HB . 7266 1 746 . 1 1 85 85 ALA HB2 H 1 1.03 0.02 . 1 . . . . 63 ALA HB . 7266 1 747 . 1 1 85 85 ALA HB3 H 1 1.03 0.02 . 1 . . . . 63 ALA HB . 7266 1 748 . 1 1 85 85 ALA C C 13 174.8 0.2 . 1 . . . . 63 ALA C . 7266 1 749 . 1 1 85 85 ALA CA C 13 50.1 0.2 . 1 . . . . 63 ALA CA . 7266 1 750 . 1 1 85 85 ALA CB C 13 19.7 0.2 . 1 . . . . 63 ALA CB . 7266 1 751 . 1 1 85 85 ALA N N 15 127.9 0.2 . 1 . . . . 63 ALA N . 7266 1 752 . 1 1 86 86 PRO HA H 1 4.48 0.02 . 1 . . . . 64 PRO HA . 7266 1 753 . 1 1 86 86 PRO HB2 H 1 1.84 0.02 . 2 . . . . 64 PRO HB2 . 7266 1 754 . 1 1 86 86 PRO HB3 H 1 2.39 0.02 . 2 . . . . 64 PRO HB3 . 7266 1 755 . 1 1 86 86 PRO HG2 H 1 1.84 0.02 . 2 . . . . 64 PRO HG2 . 7266 1 756 . 1 1 86 86 PRO HG3 H 1 1.89 0.02 . 2 . . . . 64 PRO HG3 . 7266 1 757 . 1 1 86 86 PRO HD2 H 1 3.12 0.02 . 2 . . . . 64 PRO HD2 . 7266 1 758 . 1 1 86 86 PRO HD3 H 1 3.67 0.02 . 2 . . . . 64 PRO HD3 . 7266 1 759 . 1 1 86 86 PRO C C 13 177.0 0.2 . 1 . . . . 64 PRO C . 7266 1 760 . 1 1 86 86 PRO CA C 13 62.2 0.2 . 1 . . . . 64 PRO CA . 7266 1 761 . 1 1 86 86 PRO CB C 13 32.5 0.2 . 1 . . . . 64 PRO CB . 7266 1 762 . 1 1 86 86 PRO CG C 13 27.3 0.2 . 1 . . . . 64 PRO CG . 7266 1 763 . 1 1 86 86 PRO CD C 13 50.6 0.2 . 1 . . . . 64 PRO CD . 7266 1 764 . 1 1 87 87 ASP H H 1 8.68 0.02 . 1 . . . . 65 ASP H . 7266 1 765 . 1 1 87 87 ASP HA H 1 4.16 0.02 . 1 . . . . 65 ASP HA . 7266 1 766 . 1 1 87 87 ASP HB2 H 1 2.48 0.02 . 2 . . . . 65 ASP HB2 . 7266 1 767 . 1 1 87 87 ASP HB3 H 1 2.63 0.02 . 2 . . . . 65 ASP HB3 . 7266 1 768 . 1 1 87 87 ASP C C 13 178.4 0.2 . 1 . . . . 65 ASP C . 7266 1 769 . 1 1 87 87 ASP CA C 13 57.9 0.2 . 1 . . . . 65 ASP CA . 7266 1 770 . 1 1 87 87 ASP CB C 13 40.7 0.2 . 1 . . . . 65 ASP CB . 7266 1 771 . 1 1 87 87 ASP N N 15 123.2 0.2 . 1 . . . . 65 ASP N . 7266 1 772 . 1 1 88 88 GLU H H 1 9.51 0.02 . 1 . . . . 66 GLU H . 7266 1 773 . 1 1 88 88 GLU HA H 1 4.10 0.02 . 1 . . . . 66 GLU HA . 7266 1 774 . 1 1 88 88 GLU HB2 H 1 1.95 0.02 . 2 . . . . 66 GLU HB2 . 7266 1 775 . 1 1 88 88 GLU HB3 H 1 1.97 0.02 . 2 . . . . 66 GLU HB3 . 7266 1 776 . 1 1 88 88 GLU HG2 H 1 2.13 0.02 . 2 . . . . 66 GLU HG2 . 7266 1 777 . 1 1 88 88 GLU HG3 H 1 2.24 0.02 . 2 . . . . 66 GLU HG3 . 7266 1 778 . 1 1 88 88 GLU C C 13 177.9 0.2 . 1 . . . . 66 GLU C . 7266 1 779 . 1 1 88 88 GLU CA C 13 59.1 0.2 . 1 . . . . 66 GLU CA . 7266 1 780 . 1 1 88 88 GLU CB C 13 28.8 0.2 . 1 . . . . 66 GLU CB . 7266 1 781 . 1 1 88 88 GLU CG C 13 36.1 0.2 . 1 . . . . 66 GLU CG . 7266 1 782 . 1 1 88 88 GLU N N 15 115.8 0.2 . 1 . . . . 66 GLU N . 7266 1 783 . 1 1 89 89 VAL H H 1 7.11 0.02 . 1 . . . . 67 VAL H . 7266 1 784 . 1 1 89 89 VAL HA H 1 3.79 0.02 . 1 . . . . 67 VAL HA . 7266 1 785 . 1 1 89 89 VAL HB H 1 1.80 0.02 . 1 . . . . 67 VAL HB . 7266 1 786 . 1 1 89 89 VAL HG11 H 1 0.18 0.02 . 1 . . . . 67 VAL HG1 . 7266 1 787 . 1 1 89 89 VAL HG12 H 1 0.18 0.02 . 1 . . . . 67 VAL HG1 . 7266 1 788 . 1 1 89 89 VAL HG13 H 1 0.18 0.02 . 1 . . . . 67 VAL HG1 . 7266 1 789 . 1 1 89 89 VAL HG21 H 1 0.54 0.02 . 1 . . . . 67 VAL HG2 . 7266 1 790 . 1 1 89 89 VAL HG22 H 1 0.54 0.02 . 1 . . . . 67 VAL HG2 . 7266 1 791 . 1 1 89 89 VAL HG23 H 1 0.54 0.02 . 1 . . . . 67 VAL HG2 . 7266 1 792 . 1 1 89 89 VAL C C 13 175.8 0.2 . 1 . . . . 67 VAL C . 7266 1 793 . 1 1 89 89 VAL CA C 13 62.0 0.2 . 1 . . . . 67 VAL CA . 7266 1 794 . 1 1 89 89 VAL CB C 13 32.0 0.2 . 1 . . . . 67 VAL CB . 7266 1 795 . 1 1 89 89 VAL CG1 C 13 21.0 0.2 . 1 . . . . 67 VAL CG1 . 7266 1 796 . 1 1 89 89 VAL CG2 C 13 20.3 0.2 . 1 . . . . 67 VAL CG2 . 7266 1 797 . 1 1 89 89 VAL N N 15 114.2 0.2 . 1 . . . . 67 VAL N . 7266 1 798 . 1 1 90 90 ILE H H 1 7.04 0.02 . 1 . . . . 68 ILE H . 7266 1 799 . 1 1 90 90 ILE HA H 1 3.33 0.02 . 1 . . . . 68 ILE HA . 7266 1 800 . 1 1 90 90 ILE HB H 1 1.81 0.02 . 1 . . . . 68 ILE HB . 7266 1 801 . 1 1 90 90 ILE HG12 H 1 1.05 0.02 . 2 . . . . 68 ILE HG12 . 7266 1 802 . 1 1 90 90 ILE HG13 H 1 1.62 0.02 . 2 . . . . 68 ILE HG13 . 7266 1 803 . 1 1 90 90 ILE HG21 H 1 0.81 0.02 . 1 . . . . 68 ILE HG2 . 7266 1 804 . 1 1 90 90 ILE HG22 H 1 0.81 0.02 . 1 . . . . 68 ILE HG2 . 7266 1 805 . 1 1 90 90 ILE HG23 H 1 0.81 0.02 . 1 . . . . 68 ILE HG2 . 7266 1 806 . 1 1 90 90 ILE HD11 H 1 0.79 0.02 . 1 . . . . 68 ILE HD1 . 7266 1 807 . 1 1 90 90 ILE HD12 H 1 0.79 0.02 . 1 . . . . 68 ILE HD1 . 7266 1 808 . 1 1 90 90 ILE HD13 H 1 0.79 0.02 . 1 . . . . 68 ILE HD1 . 7266 1 809 . 1 1 90 90 ILE C C 13 177.5 0.2 . 1 . . . . 68 ILE C . 7266 1 810 . 1 1 90 90 ILE CA C 13 65.4 0.2 . 1 . . . . 68 ILE CA . 7266 1 811 . 1 1 90 90 ILE CB C 13 37.9 0.2 . 1 . . . . 68 ILE CB . 7266 1 812 . 1 1 90 90 ILE CG1 C 13 28.6 0.2 . 1 . . . . 68 ILE CG1 . 7266 1 813 . 1 1 90 90 ILE CG2 C 13 17.1 0.2 . 1 . . . . 68 ILE CG2 . 7266 1 814 . 1 1 90 90 ILE CD1 C 13 12.9 0.2 . 1 . . . . 68 ILE CD1 . 7266 1 815 . 1 1 90 90 ILE N N 15 120.7 0.2 . 1 . . . . 68 ILE N . 7266 1 816 . 1 1 91 91 GLU H H 1 8.40 0.02 . 1 . . . . 69 GLU H . 7266 1 817 . 1 1 91 91 GLU HA H 1 3.89 0.02 . 1 . . . . 69 GLU HA . 7266 1 818 . 1 1 91 91 GLU HB2 H 1 1.88 0.02 . 2 . . . . 69 GLU HB2 . 7266 1 819 . 1 1 91 91 GLU HB3 H 1 1.96 0.02 . 2 . . . . 69 GLU HB3 . 7266 1 820 . 1 1 91 91 GLU HG2 H 1 2.22 0.02 . 2 . . . . 69 GLU HG2 . 7266 1 821 . 1 1 91 91 GLU HG3 H 1 2.26 0.02 . 2 . . . . 69 GLU HG3 . 7266 1 822 . 1 1 91 91 GLU C C 13 178.5 0.2 . 1 . . . . 69 GLU C . 7266 1 823 . 1 1 91 91 GLU CA C 13 59.6 0.2 . 1 . . . . 69 GLU CA . 7266 1 824 . 1 1 91 91 GLU CB C 13 28.8 0.2 . 1 . . . . 69 GLU CB . 7266 1 825 . 1 1 91 91 GLU CG C 13 36.0 0.2 . 1 . . . . 69 GLU CG . 7266 1 826 . 1 1 91 91 GLU N N 15 118.6 0.2 . 1 . . . . 69 GLU N . 7266 1 827 . 1 1 92 92 ALA H H 1 7.76 0.02 . 1 . . . . 70 ALA H . 7266 1 828 . 1 1 92 92 ALA HA H 1 4.09 0.02 . 1 . . . . 70 ALA HA . 7266 1 829 . 1 1 92 92 ALA HB1 H 1 1.65 0.02 . 1 . . . . 70 ALA HB . 7266 1 830 . 1 1 92 92 ALA HB2 H 1 1.65 0.02 . 1 . . . . 70 ALA HB . 7266 1 831 . 1 1 92 92 ALA HB3 H 1 1.65 0.02 . 1 . . . . 70 ALA HB . 7266 1 832 . 1 1 92 92 ALA C C 13 180.0 0.2 . 1 . . . . 70 ALA C . 7266 1 833 . 1 1 92 92 ALA CA C 13 55.2 0.2 . 1 . . . . 70 ALA CA . 7266 1 834 . 1 1 92 92 ALA CB C 13 19.0 0.2 . 1 . . . . 70 ALA CB . 7266 1 835 . 1 1 92 92 ALA N N 15 121.8 0.2 . 1 . . . . 70 ALA N . 7266 1 836 . 1 1 93 93 ILE H H 1 7.92 0.02 . 1 . . . . 71 ILE H . 7266 1 837 . 1 1 93 93 ILE HA H 1 3.36 0.02 . 1 . . . . 71 ILE HA . 7266 1 838 . 1 1 93 93 ILE HB H 1 1.72 0.02 . 1 . . . . 71 ILE HB . 7266 1 839 . 1 1 93 93 ILE HG12 H 1 0.67 0.02 . 2 . . . . 71 ILE HG12 . 7266 1 840 . 1 1 93 93 ILE HG13 H 1 1.80 0.02 . 2 . . . . 71 ILE HG13 . 7266 1 841 . 1 1 93 93 ILE HG21 H 1 0.73 0.02 . 1 . . . . 71 ILE HG2 . 7266 1 842 . 1 1 93 93 ILE HG22 H 1 0.73 0.02 . 1 . . . . 71 ILE HG2 . 7266 1 843 . 1 1 93 93 ILE HG23 H 1 0.73 0.02 . 1 . . . . 71 ILE HG2 . 7266 1 844 . 1 1 93 93 ILE HD11 H 1 0.66 0.02 . 1 . . . . 71 ILE HD1 . 7266 1 845 . 1 1 93 93 ILE HD12 H 1 0.66 0.02 . 1 . . . . 71 ILE HD1 . 7266 1 846 . 1 1 93 93 ILE HD13 H 1 0.66 0.02 . 1 . . . . 71 ILE HD1 . 7266 1 847 . 1 1 93 93 ILE C C 13 179.5 0.2 . 1 . . . . 71 ILE C . 7266 1 848 . 1 1 93 93 ILE CA C 13 64.8 0.2 . 1 . . . . 71 ILE CA . 7266 1 849 . 1 1 93 93 ILE CB C 13 37.3 0.2 . 1 . . . . 71 ILE CB . 7266 1 850 . 1 1 93 93 ILE CG1 C 13 30.5 0.2 . 1 . . . . 71 ILE CG1 . 7266 1 851 . 1 1 93 93 ILE CG2 C 13 17.3 0.2 . 1 . . . . 71 ILE CG2 . 7266 1 852 . 1 1 93 93 ILE CD1 C 13 15.2 0.2 . 1 . . . . 71 ILE CD1 . 7266 1 853 . 1 1 93 93 ILE N N 15 118.4 0.2 . 1 . . . . 71 ILE N . 7266 1 854 . 1 1 94 94 LYS H H 1 8.55 0.02 . 1 . . . . 72 LYS H . 7266 1 855 . 1 1 94 94 LYS HA H 1 3.94 0.02 . 1 . . . . 72 LYS HA . 7266 1 856 . 1 1 94 94 LYS HB2 H 1 1.79 0.02 . 2 . . . . 72 LYS HB2 . 7266 1 857 . 1 1 94 94 LYS HB3 H 1 1.88 0.02 . 2 . . . . 72 LYS HB3 . 7266 1 858 . 1 1 94 94 LYS HG2 H 1 1.34 0.02 . 2 . . . . 72 LYS HG2 . 7266 1 859 . 1 1 94 94 LYS HG3 H 1 1.52 0.02 . 2 . . . . 72 LYS HG3 . 7266 1 860 . 1 1 94 94 LYS HD2 H 1 1.56 0.02 . 2 . . . . 72 LYS HD2 . 7266 1 861 . 1 1 94 94 LYS HD3 H 1 1.58 0.02 . 2 . . . . 72 LYS HD3 . 7266 1 862 . 1 1 94 94 LYS HE2 H 1 2.81 0.02 . 2 . . . . 72 LYS HE2 . 7266 1 863 . 1 1 94 94 LYS HE3 H 1 2.83 0.02 . 2 . . . . 72 LYS HE3 . 7266 1 864 . 1 1 94 94 LYS C C 13 178.3 0.2 . 1 . . . . 72 LYS C . 7266 1 865 . 1 1 94 94 LYS CA C 13 59.7 0.2 . 1 . . . . 72 LYS CA . 7266 1 866 . 1 1 94 94 LYS CB C 13 32.2 0.2 . 1 . . . . 72 LYS CB . 7266 1 867 . 1 1 94 94 LYS CG C 13 25.0 0.2 . 1 . . . . 72 LYS CG . 7266 1 868 . 1 1 94 94 LYS CD C 13 29.2 0.2 . 1 . . . . 72 LYS CD . 7266 1 869 . 1 1 94 94 LYS CE C 13 42.0 0.2 . 1 . . . . 72 LYS CE . 7266 1 870 . 1 1 94 94 LYS N N 15 121.8 0.2 . 1 . . . . 72 LYS N . 7266 1 871 . 1 1 95 95 GLN H H 1 7.90 0.02 . 1 . . . . 73 GLN H . 7266 1 872 . 1 1 95 95 GLN HA H 1 4.14 0.02 . 1 . . . . 73 GLN HA . 7266 1 873 . 1 1 95 95 GLN HB2 H 1 1.98 0.02 . 2 . . . . 73 GLN HB2 . 7266 1 874 . 1 1 95 95 GLN HB3 H 1 2.03 0.02 . 2 . . . . 73 GLN HB3 . 7266 1 875 . 1 1 95 95 GLN HG2 H 1 2.36 0.02 . 2 . . . . 73 GLN HG2 . 7266 1 876 . 1 1 95 95 GLN HG3 H 1 2.43 0.02 . 2 . . . . 73 GLN HG3 . 7266 1 877 . 1 1 95 95 GLN HE21 H 1 6.77 0.02 . 2 . . . . 73 GLN HE21 . 7266 1 878 . 1 1 95 95 GLN HE22 H 1 7.55 0.02 . 2 . . . . 73 GLN HE22 . 7266 1 879 . 1 1 95 95 GLN C C 13 177.4 0.2 . 1 . . . . 73 GLN C . 7266 1 880 . 1 1 95 95 GLN CA C 13 58.3 0.2 . 1 . . . . 73 GLN CA . 7266 1 881 . 1 1 95 95 GLN CB C 13 29.7 0.2 . 1 . . . . 73 GLN CB . 7266 1 882 . 1 1 95 95 GLN CG C 13 33.5 0.2 . 1 . . . . 73 GLN CG . 7266 1 883 . 1 1 95 95 GLN N N 15 115.1 0.2 . 1 . . . . 73 GLN N . 7266 1 884 . 1 1 95 95 GLN NE2 N 15 111.9 0.2 . 1 . . . . 73 GLN NE2 . 7266 1 885 . 1 1 96 96 ASN H H 1 8.39 0.02 . 1 . . . . 74 ASN H . 7266 1 886 . 1 1 96 96 ASN HA H 1 4.95 0.02 . 1 . . . . 74 ASN HA . 7266 1 887 . 1 1 96 96 ASN HB2 H 1 2.48 0.02 . 2 . . . . 74 ASN HB2 . 7266 1 888 . 1 1 96 96 ASN HB3 H 1 2.57 0.02 . 2 . . . . 74 ASN HB3 . 7266 1 889 . 1 1 96 96 ASN HD21 H 1 6.99 0.02 . 2 . . . . 74 ASN HD21 . 7266 1 890 . 1 1 96 96 ASN HD22 H 1 7.42 0.02 . 2 . . . . 74 ASN HD22 . 7266 1 891 . 1 1 96 96 ASN C C 13 175.5 0.2 . 1 . . . . 74 ASN C . 7266 1 892 . 1 1 96 96 ASN CA C 13 53.7 0.2 . 1 . . . . 74 ASN CA . 7266 1 893 . 1 1 96 96 ASN CB C 13 41.2 0.2 . 1 . . . . 74 ASN CB . 7266 1 894 . 1 1 96 96 ASN N N 15 113.1 0.2 . 1 . . . . 74 ASN N . 7266 1 895 . 1 1 96 96 ASN ND2 N 15 114.1 0.2 . 1 . . . . 74 ASN ND2 . 7266 1 896 . 1 1 97 97 GLY H H 1 8.47 0.02 . 1 . . . . 75 GLY H . 7266 1 897 . 1 1 97 97 GLY HA2 H 1 3.77 0.02 . 2 . . . . 75 GLY HA2 . 7266 1 898 . 1 1 97 97 GLY HA3 H 1 4.33 0.02 . 2 . . . . 75 GLY HA3 . 7266 1 899 . 1 1 97 97 GLY C C 13 171.5 0.2 . 1 . . . . 75 GLY C . 7266 1 900 . 1 1 97 97 GLY CA C 13 45.4 0.2 . 1 . . . . 75 GLY CA . 7266 1 901 . 1 1 97 97 GLY N N 15 109.5 0.2 . 1 . . . . 75 GLY N . 7266 1 902 . 1 1 98 98 TYR H H 1 6.68 0.02 . 1 . . . . 76 TYR H . 7266 1 903 . 1 1 98 98 TYR HA H 1 5.41 0.02 . 1 . . . . 76 TYR HA . 7266 1 904 . 1 1 98 98 TYR HB2 H 1 2.31 0.02 . 2 . . . . 76 TYR HB2 . 7266 1 905 . 1 1 98 98 TYR HB3 H 1 2.42 0.02 . 2 . . . . 76 TYR HB3 . 7266 1 906 . 1 1 98 98 TYR HD1 H 1 6.00 0.02 . 3 . . . . 76 TYR HD1 . 7266 1 907 . 1 1 98 98 TYR HE1 H 1 6.54 0.02 . 3 . . . . 76 TYR HE1 . 7266 1 908 . 1 1 98 98 TYR C C 13 171.8 0.2 . 1 . . . . 76 TYR C . 7266 1 909 . 1 1 98 98 TYR CA C 13 55.2 0.2 . 1 . . . . 76 TYR CA . 7266 1 910 . 1 1 98 98 TYR CB C 13 40.2 0.2 . 1 . . . . 76 TYR CB . 7266 1 911 . 1 1 98 98 TYR CD1 C 13 133.2 0.2 . 3 . . . . 76 TYR CD1 . 7266 1 912 . 1 1 98 98 TYR CE1 C 13 117.1 0.2 . 3 . . . . 76 TYR CE1 . 7266 1 913 . 1 1 98 98 TYR N N 15 111.6 0.2 . 1 . . . . 76 TYR N . 7266 1 914 . 1 1 99 99 PHE H H 1 8.72 0.02 . 1 . . . . 77 PHE H . 7266 1 915 . 1 1 99 99 PHE HA H 1 4.34 0.02 . 1 . . . . 77 PHE HA . 7266 1 916 . 1 1 99 99 PHE HB2 H 1 2.66 0.02 . 2 . . . . 77 PHE HB2 . 7266 1 917 . 1 1 99 99 PHE HB3 H 1 2.95 0.02 . 2 . . . . 77 PHE HB3 . 7266 1 918 . 1 1 99 99 PHE HD1 H 1 6.75 0.02 . 3 . . . . 77 PHE HD1 . 7266 1 919 . 1 1 99 99 PHE HE1 H 1 7.01 0.02 . 3 . . . . 77 PHE HE1 . 7266 1 920 . 1 1 99 99 PHE C C 13 172.3 0.2 . 1 . . . . 77 PHE C . 7266 1 921 . 1 1 99 99 PHE CA C 13 56.6 0.2 . 1 . . . . 77 PHE CA . 7266 1 922 . 1 1 99 99 PHE CB C 13 44.1 0.2 . 1 . . . . 77 PHE CB . 7266 1 923 . 1 1 99 99 PHE CD1 C 13 131.8 0.2 . 3 . . . . 77 PHE CD1 . 7266 1 924 . 1 1 99 99 PHE CE1 C 13 129.7 0.2 . 3 . . . . 77 PHE CE1 . 7266 1 925 . 1 1 99 99 PHE N N 15 119.5 0.2 . 1 . . . . 77 PHE N . 7266 1 926 . 1 1 100 100 ILE H H 1 7.34 0.02 . 1 . . . . 78 ILE H . 7266 1 927 . 1 1 100 100 ILE HA H 1 4.45 0.02 . 1 . . . . 78 ILE HA . 7266 1 928 . 1 1 100 100 ILE HB H 1 0.86 0.02 . 1 . . . . 78 ILE HB . 7266 1 929 . 1 1 100 100 ILE HG12 H 1 0.13 0.02 . 2 . . . . 78 ILE HG12 . 7266 1 930 . 1 1 100 100 ILE HG13 H 1 1.03 0.02 . 2 . . . . 78 ILE HG13 . 7266 1 931 . 1 1 100 100 ILE HG21 H 1 -0.91 0.02 . 1 . . . . 78 ILE HG2 . 7266 1 932 . 1 1 100 100 ILE HG22 H 1 -0.91 0.02 . 1 . . . . 78 ILE HG2 . 7266 1 933 . 1 1 100 100 ILE HG23 H 1 -0.91 0.02 . 1 . . . . 78 ILE HG2 . 7266 1 934 . 1 1 100 100 ILE HD11 H 1 0.41 0.02 . 1 . . . . 78 ILE HD1 . 7266 1 935 . 1 1 100 100 ILE HD12 H 1 0.41 0.02 . 1 . . . . 78 ILE HD1 . 7266 1 936 . 1 1 100 100 ILE HD13 H 1 0.41 0.02 . 1 . . . . 78 ILE HD1 . 7266 1 937 . 1 1 100 100 ILE C C 13 173.0 0.2 . 1 . . . . 78 ILE C . 7266 1 938 . 1 1 100 100 ILE CA C 13 56.7 0.2 . 1 . . . . 78 ILE CA . 7266 1 939 . 1 1 100 100 ILE CB C 13 35.9 0.2 . 1 . . . . 78 ILE CB . 7266 1 940 . 1 1 100 100 ILE CG1 C 13 24.1 0.2 . 1 . . . . 78 ILE CG1 . 7266 1 941 . 1 1 100 100 ILE CG2 C 13 14.7 0.2 . 1 . . . . 78 ILE CG2 . 7266 1 942 . 1 1 100 100 ILE CD1 C 13 10.1 0.2 . 1 . . . . 78 ILE CD1 . 7266 1 943 . 1 1 100 100 ILE N N 15 127.5 0.2 . 1 . . . . 78 ILE N . 7266 1 944 . 1 1 101 101 TYR H H 1 8.60 0.02 . 1 . . . . 79 TYR H . 7266 1 945 . 1 1 101 101 TYR HA H 1 4.46 0.02 . 1 . . . . 79 TYR HA . 7266 1 946 . 1 1 101 101 TYR HB2 H 1 2.09 0.02 . 2 . . . . 79 TYR HB2 . 7266 1 947 . 1 1 101 101 TYR HB3 H 1 2.70 0.02 . 2 . . . . 79 TYR HB3 . 7266 1 948 . 1 1 101 101 TYR HD1 H 1 7.08 0.02 . 3 . . . . 79 TYR HD1 . 7266 1 949 . 1 1 101 101 TYR HE1 H 1 6.88 0.02 . 3 . . . . 79 TYR HE1 . 7266 1 950 . 1 1 101 101 TYR C C 13 174.4 0.2 . 1 . . . . 79 TYR C . 7266 1 951 . 1 1 101 101 TYR CA C 13 55.7 0.2 . 1 . . . . 79 TYR CA . 7266 1 952 . 1 1 101 101 TYR CB C 13 40.0 0.2 . 1 . . . . 79 TYR CB . 7266 1 953 . 1 1 101 101 TYR CD1 C 13 132.9 0.2 . 3 . . . . 79 TYR CD1 . 7266 1 954 . 1 1 101 101 TYR CE1 C 13 118.5 0.2 . 3 . . . . 79 TYR CE1 . 7266 1 955 . 1 1 101 101 TYR N N 15 129.2 0.2 . 1 . . . . 79 TYR N . 7266 1 956 . 1 1 102 102 LYS H H 1 8.10 0.02 . 1 . . . . 80 LYS H . 7266 1 957 . 1 1 102 102 LYS HA H 1 3.70 0.02 . 1 . . . . 80 LYS HA . 7266 1 958 . 1 1 102 102 LYS HB2 H 1 1.55 0.02 . 2 . . . . 80 LYS HB2 . 7266 1 959 . 1 1 102 102 LYS HB3 H 1 1.63 0.02 . 2 . . . . 80 LYS HB3 . 7266 1 960 . 1 1 102 102 LYS HG2 H 1 1.04 0.02 . 2 . . . . 80 LYS HG2 . 7266 1 961 . 1 1 102 102 LYS HG3 H 1 1.06 0.02 . 2 . . . . 80 LYS HG3 . 7266 1 962 . 1 1 102 102 LYS HD2 H 1 1.59 0.02 . 2 . . . . 80 LYS HD2 . 7266 1 963 . 1 1 102 102 LYS HD3 H 1 1.77 0.02 . 2 . . . . 80 LYS HD3 . 7266 1 964 . 1 1 102 102 LYS HE2 H 1 2.83 0.02 . 2 . . . . 80 LYS HE2 . 7266 1 965 . 1 1 102 102 LYS HE3 H 1 2.85 0.02 . 2 . . . . 80 LYS HE3 . 7266 1 966 . 1 1 102 102 LYS C C 13 175.8 0.2 . 1 . . . . 80 LYS C . 7266 1 967 . 1 1 102 102 LYS CA C 13 58.6 0.2 . 1 . . . . 80 LYS CA . 7266 1 968 . 1 1 102 102 LYS CB C 13 33.1 0.2 . 1 . . . . 80 LYS CB . 7266 1 969 . 1 1 102 102 LYS CG C 13 25.3 0.2 . 1 . . . . 80 LYS CG . 7266 1 970 . 1 1 102 102 LYS CD C 13 29.4 0.2 . 1 . . . . 80 LYS CD . 7266 1 971 . 1 1 102 102 LYS CE C 13 41.4 0.2 . 1 . . . . 80 LYS CE . 7266 1 972 . 1 1 102 102 LYS N N 15 128.1 0.2 . 1 . . . . 80 LYS N . 7266 1 973 . 1 1 103 103 MET H H 1 7.80 0.02 . 1 . . . . 81 MET H . 7266 1 974 . 1 1 103 103 MET HA H 1 4.48 0.02 . 1 . . . . 81 MET HA . 7266 1 975 . 1 1 103 103 MET HB2 H 1 2.14 0.02 . 2 . . . . 81 MET HB2 . 7266 1 976 . 1 1 103 103 MET HB3 H 1 2.27 0.02 . 2 . . . . 81 MET HB3 . 7266 1 977 . 1 1 103 103 MET HG2 H 1 1.36 0.02 . 2 . . . . 81 MET HG2 . 7266 1 978 . 1 1 103 103 MET HG3 H 1 1.81 0.02 . 2 . . . . 81 MET HG3 . 7266 1 979 . 1 1 103 103 MET HE1 H 1 1.36 0.02 . 1 . . . . 81 MET HE . 7266 1 980 . 1 1 103 103 MET HE2 H 1 1.36 0.02 . 1 . . . . 81 MET HE . 7266 1 981 . 1 1 103 103 MET HE3 H 1 1.36 0.02 . 1 . . . . 81 MET HE . 7266 1 982 . 1 1 103 103 MET C C 13 175.3 0.2 . 1 . . . . 81 MET C . 7266 1 983 . 1 1 103 103 MET CA C 13 54.9 0.2 . 1 . . . . 81 MET CA . 7266 1 984 . 1 1 103 103 MET CB C 13 33.0 0.2 . 1 . . . . 81 MET CB . 7266 1 985 . 1 1 103 103 MET CG C 13 32.9 0.2 . 1 . . . . 81 MET CG . 7266 1 986 . 1 1 103 103 MET CE C 13 16.9 0.2 . 1 . . . . 81 MET CE . 7266 1 987 . 1 1 103 103 MET N N 15 122.7 0.2 . 1 . . . . 81 MET N . 7266 1 988 . 1 1 104 104 GLU H H 1 9.41 0.02 . 1 . . . . 82 GLU H . 7266 1 989 . 1 1 104 104 GLU HA H 1 4.39 0.02 . 1 . . . . 82 GLU HA . 7266 1 990 . 1 1 104 104 GLU HB2 H 1 2.23 0.02 . 2 . . . . 82 GLU HB2 . 7266 1 991 . 1 1 104 104 GLU HB3 H 1 2.29 0.02 . 2 . . . . 82 GLU HB3 . 7266 1 992 . 1 1 104 104 GLU HG2 H 1 2.52 0.02 . 2 . . . . 82 GLU HG2 . 7266 1 993 . 1 1 104 104 GLU HG3 H 1 2.60 0.02 . 2 . . . . 82 GLU HG3 . 7266 1 994 . 1 1 104 104 GLU C C 13 176.4 0.2 . 1 . . . . 82 GLU C . 7266 1 995 . 1 1 104 104 GLU CA C 13 58.7 0.2 . 1 . . . . 82 GLU CA . 7266 1 996 . 1 1 104 104 GLU CB C 13 29.1 0.2 . 1 . . . . 82 GLU CB . 7266 1 997 . 1 1 104 104 GLU CG C 13 36.0 0.2 . 1 . . . . 82 GLU CG . 7266 1 998 . 1 1 104 104 GLU N N 15 123.5 0.2 . 1 . . . . 82 GLU N . 7266 1 999 . 1 1 105 105 GLY H H 1 8.88 0.02 . 1 . . . . 83 GLY H . 7266 1 1000 . 1 1 105 105 GLY HA2 H 1 4.11 0.02 . 2 . . . . 83 GLY HA2 . 7266 1 1001 . 1 1 105 105 GLY HA3 H 1 5.09 0.02 . 2 . . . . 83 GLY HA3 . 7266 1 1002 . 1 1 105 105 GLY C C 13 176.0 0.2 . 1 . . . . 83 GLY C . 7266 1 1003 . 1 1 105 105 GLY CA C 13 45.9 0.2 . 1 . . . . 83 GLY CA . 7266 1 1004 . 1 1 105 105 GLY N N 15 108.1 0.2 . 1 . . . . 83 GLY N . 7266 1 1005 . 1 1 106 106 CYS H H 1 7.83 0.02 . 1 . . . . 84 CYS H . 7266 1 1006 . 1 1 106 106 CYS HA H 1 4.79 0.02 . 1 . . . . 84 CYS HA . 7266 1 1007 . 1 1 106 106 CYS HB2 H 1 2.92 0.02 . 2 . . . . 84 CYS HB2 . 7266 1 1008 . 1 1 106 106 CYS HB3 H 1 3.12 0.02 . 2 . . . . 84 CYS HB3 . 7266 1 1009 . 1 1 106 106 CYS CA C 13 59.1 0.2 . 1 . . . . 84 CYS CA . 7266 1 1010 . 1 1 106 106 CYS CB C 13 28.7 0.2 . 1 . . . . 84 CYS CB . 7266 1 1011 . 1 1 106 106 CYS N N 15 116.6 0.2 . 1 . . . . 84 CYS N . 7266 1 1012 . 1 1 107 107 ASN H H 1 8.41 0.02 . 1 . . . . 85 ASN H . 7266 1 1013 . 1 1 107 107 ASN HA H 1 4.53 0.02 . 1 . . . . 85 ASN HA . 7266 1 1014 . 1 1 107 107 ASN HB2 H 1 2.76 0.02 . 2 . . . . 85 ASN HB2 . 7266 1 1015 . 1 1 107 107 ASN HB3 H 1 2.85 0.02 . 2 . . . . 85 ASN HB3 . 7266 1 1016 . 1 1 107 107 ASN CA C 13 54.8 0.2 . 1 . . . . 85 ASN CA . 7266 1 1017 . 1 1 107 107 ASN CB C 13 40.8 0.2 . 1 . . . . 85 ASN CB . 7266 1 1018 . 1 1 107 107 ASN N N 15 125.5 0.2 . 1 . . . . 85 ASN N . 7266 1 stop_ save_