data_6824 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6824 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for ORF 7a coded X4 protein of SARS Coronavirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-13 _Entry.Accession_date 2005-09-13 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _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 Thomas Stangler . . . 6824 2 Matthias Stoldt . . . 6824 3 Dieter Willbold . . . 6824 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6824 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 6824 '15N chemical shifts' 80 6824 '1H chemical shifts' 524 6824 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 . . 2007-01-29 2005-09-13 original author . 6824 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6824 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16328780 _Citation.Full_citation . _Citation.Title ; Solution structure of the X4 protein coded by the SARS related coronavirus reveals an immunoglobulin like fold and suggests a binding activity to integrin I domains. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomed. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 281 _Citation.Page_last 293 _Citation.Year 2005 _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 Karen Hanel . . . 6824 1 2 Thomas Stangler . . . 6824 1 3 Matthias Stoldt . . . 6824 1 4 Dieter Willbold . . . 6824 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6824 _Assembly.ID 1 _Assembly.Name 'SARS CoV 7a protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SARS CoV 7a protein' 1 $SARS_CoV_7a_protein . . yes native no no . . . 6824 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 6824 1 2 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 6824 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SARS_CoV_7a_protein _Entity.Sf_category entity _Entity.Sf_framecode SARS_CoV_7a_protein _Entity.Entry_ID 6824 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SARS CoV 7a protein' _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 ; GPELYHYQECVRGTTVLLKE PCPSGTYEGNSPFHPLADNK FALTCTSTHFAFACADGTRH TYQLRARSVSPKLFIRQEEV QQELYSR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XAK . "Structure Of The Sars-Coronavirus Orf7a Accessory Protein" . . . . . 93.10 83 98.77 100.00 3.98e-52 . . . . 6824 1 2 no PDB 1YO4 . "Solution Structure Of The Sars Coronavirus Orf 7a Coded X4 Protein" . . . . . 100.00 87 100.00 100.00 3.35e-57 . . . . 6824 1 3 no DBJ BAC81354 . "hypothetical protein [SARS coronavirus TWH]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 4 no DBJ BAC81368 . "hypothetical protein [SARS coronavirus TWJ]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 5 no DBJ BAC81382 . "hypothetical protein [SARS coronavirus TWK]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 6 no DBJ BAC81396 . "hypothetical protein [SARS coronavirus TWS]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 7 no DBJ BAC81410 . "hypothetical protein [SARS coronavirus TWY]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 8 no GB AAP13449 . "protein X4 [SARS coronavirus Urbani]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 9 no GB AAP13573 . "unknown [SARS coronavirus CUHK-W1]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 10 no GB AAP30036 . "putative uncharacterized protein 4 [SARS coronavirus BJ01]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 11 no GB AAP33703 . "Orf7a [SARS coronavirus Frankfurt 1]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 12 no GB AAP37023 . "unknown [SARS coronavirus TW1]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 13 no REF NP_828857 . "hypothetical protein sars7a [SARS coronavirus]" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 14 no SP P59635 . "RecName: Full=Protein 7a; AltName: Full=Accessory protein 7a; AltName: Full=Protein U122; AltName: Full=Protein X4; Flags: Prec" . . . . . 96.55 122 100.00 100.00 4.29e-55 . . . . 6824 1 15 no SP Q3I5J0 . "RecName: Full=Protein 7a; AltName: Full=Accessory protein 7a; Flags: Precursor [Bat SARS CoV Rp3/2004]" . . . . . 96.55 122 98.81 98.81 2.61e-54 . . . . 6824 1 16 no SP Q3LZX7 . "RecName: Full=Protein 7a; AltName: Full=Accessory protein 7a; Flags: Precursor [Bat coronavirus HKU3]" . . . . . 96.55 122 97.62 98.81 1.25e-53 . . . . 6824 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6824 1 2 . PRO . 6824 1 3 . GLU . 6824 1 4 . LEU . 6824 1 5 . TYR . 6824 1 6 . HIS . 6824 1 7 . TYR . 6824 1 8 . GLN . 6824 1 9 . GLU . 6824 1 10 . CYS . 6824 1 11 . VAL . 6824 1 12 . ARG . 6824 1 13 . GLY . 6824 1 14 . THR . 6824 1 15 . THR . 6824 1 16 . VAL . 6824 1 17 . LEU . 6824 1 18 . LEU . 6824 1 19 . LYS . 6824 1 20 . GLU . 6824 1 21 . PRO . 6824 1 22 . CYS . 6824 1 23 . PRO . 6824 1 24 . SER . 6824 1 25 . GLY . 6824 1 26 . THR . 6824 1 27 . TYR . 6824 1 28 . GLU . 6824 1 29 . GLY . 6824 1 30 . ASN . 6824 1 31 . SER . 6824 1 32 . PRO . 6824 1 33 . PHE . 6824 1 34 . HIS . 6824 1 35 . PRO . 6824 1 36 . LEU . 6824 1 37 . ALA . 6824 1 38 . ASP . 6824 1 39 . ASN . 6824 1 40 . LYS . 6824 1 41 . PHE . 6824 1 42 . ALA . 6824 1 43 . LEU . 6824 1 44 . THR . 6824 1 45 . CYS . 6824 1 46 . THR . 6824 1 47 . SER . 6824 1 48 . THR . 6824 1 49 . HIS . 6824 1 50 . PHE . 6824 1 51 . ALA . 6824 1 52 . PHE . 6824 1 53 . ALA . 6824 1 54 . CYS . 6824 1 55 . ALA . 6824 1 56 . ASP . 6824 1 57 . GLY . 6824 1 58 . THR . 6824 1 59 . ARG . 6824 1 60 . HIS . 6824 1 61 . THR . 6824 1 62 . TYR . 6824 1 63 . GLN . 6824 1 64 . LEU . 6824 1 65 . ARG . 6824 1 66 . ALA . 6824 1 67 . ARG . 6824 1 68 . SER . 6824 1 69 . VAL . 6824 1 70 . SER . 6824 1 71 . PRO . 6824 1 72 . LYS . 6824 1 73 . LEU . 6824 1 74 . PHE . 6824 1 75 . ILE . 6824 1 76 . ARG . 6824 1 77 . GLN . 6824 1 78 . GLU . 6824 1 79 . GLU . 6824 1 80 . VAL . 6824 1 81 . GLN . 6824 1 82 . GLN . 6824 1 83 . GLU . 6824 1 84 . LEU . 6824 1 85 . TYR . 6824 1 86 . SER . 6824 1 87 . ARG . 6824 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6824 1 . PRO 2 2 6824 1 . GLU 3 3 6824 1 . LEU 4 4 6824 1 . TYR 5 5 6824 1 . HIS 6 6 6824 1 . TYR 7 7 6824 1 . GLN 8 8 6824 1 . GLU 9 9 6824 1 . CYS 10 10 6824 1 . VAL 11 11 6824 1 . ARG 12 12 6824 1 . GLY 13 13 6824 1 . THR 14 14 6824 1 . THR 15 15 6824 1 . VAL 16 16 6824 1 . LEU 17 17 6824 1 . LEU 18 18 6824 1 . LYS 19 19 6824 1 . GLU 20 20 6824 1 . PRO 21 21 6824 1 . CYS 22 22 6824 1 . PRO 23 23 6824 1 . SER 24 24 6824 1 . GLY 25 25 6824 1 . THR 26 26 6824 1 . TYR 27 27 6824 1 . GLU 28 28 6824 1 . GLY 29 29 6824 1 . ASN 30 30 6824 1 . SER 31 31 6824 1 . PRO 32 32 6824 1 . PHE 33 33 6824 1 . HIS 34 34 6824 1 . PRO 35 35 6824 1 . LEU 36 36 6824 1 . ALA 37 37 6824 1 . ASP 38 38 6824 1 . ASN 39 39 6824 1 . LYS 40 40 6824 1 . PHE 41 41 6824 1 . ALA 42 42 6824 1 . LEU 43 43 6824 1 . THR 44 44 6824 1 . CYS 45 45 6824 1 . THR 46 46 6824 1 . SER 47 47 6824 1 . THR 48 48 6824 1 . HIS 49 49 6824 1 . PHE 50 50 6824 1 . ALA 51 51 6824 1 . PHE 52 52 6824 1 . ALA 53 53 6824 1 . CYS 54 54 6824 1 . ALA 55 55 6824 1 . ASP 56 56 6824 1 . GLY 57 57 6824 1 . THR 58 58 6824 1 . ARG 59 59 6824 1 . HIS 60 60 6824 1 . THR 61 61 6824 1 . TYR 62 62 6824 1 . GLN 63 63 6824 1 . LEU 64 64 6824 1 . ARG 65 65 6824 1 . ALA 66 66 6824 1 . ARG 67 67 6824 1 . SER 68 68 6824 1 . VAL 69 69 6824 1 . SER 70 70 6824 1 . PRO 71 71 6824 1 . LYS 72 72 6824 1 . LEU 73 73 6824 1 . PHE 74 74 6824 1 . ILE 75 75 6824 1 . ARG 76 76 6824 1 . GLN 77 77 6824 1 . GLU 78 78 6824 1 . GLU 79 79 6824 1 . VAL 80 80 6824 1 . GLN 81 81 6824 1 . GLN 82 82 6824 1 . GLU 83 83 6824 1 . LEU 84 84 6824 1 . TYR 85 85 6824 1 . SER 86 86 6824 1 . ARG 87 87 6824 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 6824 _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 $SARS_CoV_7a_protein . 227859 virus no . 'SARS Coronavirus' . . Viruses 'Not applicable' Coronavirus 'SARS Coronavirus' . . . . . . . . . . . . . . . . . . . . . 6824 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 6824 _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 $SARS_CoV_7a_protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6824 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6824 _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 'SARS CoV 7a protein' '[U-95% 13C; U-98% 15N]' 1 $assembly 1 $SARS_CoV_7a_protein . . 0.4 . . mM . . . . 6824 1 2 'Sodium Acetate' [U-2H] . . . . . . 1 . . mM . . . . 6824 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 6824 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 0.1 mM 6824 1 pH 5 0.1 pH 6824 1 temperature 313 . K 6824 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6824 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 6824 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 6824 _Software.ID 2 _Software.Name CARA _Software.Version 1.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data evaluation' 6824 2 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 6824 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6824 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6824 _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 . . . . . . . . . . . . . . . . . . . . . 6824 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6824 1 3 H(CCO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6824 1 4 C(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6824 1 5 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6824 1 6 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6824 1 7 1H-13C-HSQC-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6824 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 6824 _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_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6824 _NMR_spec_expt.ID 2 _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_H(CCO)NH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode H(CCO)NH-TOCSY _NMR_spec_expt.Entry_ID 6824 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name H(CCO)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_C(CO)NH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)NH-TOCSY _NMR_spec_expt.Entry_ID 6824 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name C(CO)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_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 6824 _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6824 _NMR_spec_expt.ID 6 _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_1H-13C-HSQC-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C-HSQC-NOESY _NMR_spec_expt.Entry_ID 6824 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 1H-13C-HSQC-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 6824 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6824 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6824 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6824 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 6824 _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 6824 1 2 HNCACB 1 $sample_1 isotropic 6824 1 3 H(CCO)NH-TOCSY 1 $sample_1 isotropic 6824 1 4 C(CO)NH-TOCSY 1 $sample_1 isotropic 6824 1 5 HCCH-COSY 1 $sample_1 isotropic 6824 1 6 HNCO 1 $sample_1 isotropic 6824 1 7 1H-13C-HSQC-NOESY 1 $sample_1 isotropic 6824 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 2 2 PRO HA H 1 4.428 0.000 . 1 . . . . 2 PRO HA . 6824 1 2 . 1 1 2 2 PRO HB2 H 1 2.269 0.000 . 2 . . . . 2 PRO HB2 . 6824 1 3 . 1 1 2 2 PRO HB3 H 1 1.853 0.000 . 2 . . . . 2 PRO HB3 . 6824 1 4 . 1 1 2 2 PRO HG2 H 1 1.971 0.000 . 1 . . . . 2 PRO HG2 . 6824 1 5 . 1 1 2 2 PRO HG3 H 1 1.971 0.000 . 1 . . . . 2 PRO HG3 . 6824 1 6 . 1 1 2 2 PRO HD2 H 1 3.520 0.000 . 1 . . . . 2 PRO HD2 . 6824 1 7 . 1 1 2 2 PRO HD3 H 1 3.52 0.000 . 1 . . . . 2 PRO HD3 . 6824 1 8 . 1 1 2 2 PRO CA C 13 63.330 0.000 . 1 . . . . 2 PRO CA . 6824 1 9 . 1 1 2 2 PRO CB C 13 32.316 0.000 . 1 . . . . 2 PRO CB . 6824 1 10 . 1 1 2 2 PRO CG C 13 26.979 0.000 . 1 . . . . 2 PRO CG . 6824 1 11 . 1 1 2 2 PRO CD C 13 49.616 0.000 . 1 . . . . 2 PRO CD . 6824 1 12 . 1 1 3 3 GLU H H 1 8.325 0.000 . 1 . . . . 3 GLU H . 6824 1 13 . 1 1 3 3 GLU HA H 1 4.707 0.000 . 1 . . . . 3 GLU HA . 6824 1 14 . 1 1 3 3 GLU HB2 H 1 1.894 0.000 . 2 . . . . 3 GLU HB2 . 6824 1 15 . 1 1 3 3 GLU HB3 H 1 1.860 0.000 . 2 . . . . 3 GLU HB3 . 6824 1 16 . 1 1 3 3 GLU HG2 H 1 2.159 0.000 . 2 . . . . 3 GLU HG2 . 6824 1 17 . 1 1 3 3 GLU HG3 H 1 1.927 0.000 . 2 . . . . 3 GLU HG3 . 6824 1 18 . 1 1 3 3 GLU C C 13 173.173 0.000 . 1 . . . . 3 GLU C . 6824 1 19 . 1 1 3 3 GLU CA C 13 55.703 0.000 . 1 . . . . 3 GLU CA . 6824 1 20 . 1 1 3 3 GLU CB C 13 30.905 0.000 . 1 . . . . 3 GLU CB . 6824 1 21 . 1 1 3 3 GLU CG C 13 36.064 0.000 . 1 . . . . 3 GLU CG . 6824 1 22 . 1 1 3 3 GLU N N 15 121.475 0.000 . 1 . . . . 3 GLU N . 6824 1 23 . 1 1 4 4 LEU H H 1 8.251 0.000 . 1 . . . . 4 LEU H . 6824 1 24 . 1 1 4 4 LEU HA H 1 4.411 0.000 . 1 . . . . 4 LEU HA . 6824 1 25 . 1 1 4 4 LEU HB2 H 1 1.279 0.000 . 2 . . . . 4 LEU HB2 . 6824 1 26 . 1 1 4 4 LEU HB3 H 1 1.216 0.000 . 2 . . . . 4 LEU HB3 . 6824 1 27 . 1 1 4 4 LEU HG H 1 1.375 0.000 . 1 . . . . 4 LEU HG . 6824 1 28 . 1 1 4 4 LEU HD11 H 1 0.698 0.000 . 2 . . . . 4 LEU HD1 . 6824 1 29 . 1 1 4 4 LEU HD12 H 1 0.698 0.000 . 2 . . . . 4 LEU HD1 . 6824 1 30 . 1 1 4 4 LEU HD13 H 1 0.698 0.000 . 2 . . . . 4 LEU HD1 . 6824 1 31 . 1 1 4 4 LEU HD21 H 1 0.593 0.000 . 2 . . . . 4 LEU HD2 . 6824 1 32 . 1 1 4 4 LEU HD22 H 1 0.593 0.000 . 2 . . . . 4 LEU HD2 . 6824 1 33 . 1 1 4 4 LEU HD23 H 1 0.593 0.000 . 2 . . . . 4 LEU HD2 . 6824 1 34 . 1 1 4 4 LEU C C 13 173.486 0.000 . 1 . . . . 4 LEU C . 6824 1 35 . 1 1 4 4 LEU CA C 13 54.229 0.000 . 1 . . . . 4 LEU CA . 6824 1 36 . 1 1 4 4 LEU CB C 13 42.897 0.000 . 1 . . . . 4 LEU CB . 6824 1 37 . 1 1 4 4 LEU CG C 13 27.480 0.000 . 1 . . . . 4 LEU CG . 6824 1 38 . 1 1 4 4 LEU CD1 C 13 24.825 0.000 . 2 . . . . 4 LEU CD1 . 6824 1 39 . 1 1 4 4 LEU CD2 C 13 23.561 0.000 . 2 . . . . 4 LEU CD2 . 6824 1 40 . 1 1 4 4 LEU N N 15 125.104 0.000 . 1 . . . . 4 LEU N . 6824 1 41 . 1 1 5 5 TYR H H 1 7.956 0.000 . 1 . . . . 5 TYR H . 6824 1 42 . 1 1 5 5 TYR HA H 1 4.981 0.000 . 1 . . . . 5 TYR HA . 6824 1 43 . 1 1 5 5 TYR HB2 H 1 2.735 0.000 . 2 . . . . 5 TYR HB2 . 6824 1 44 . 1 1 5 5 TYR HB3 H 1 2.734 0.000 . 2 . . . . 5 TYR HB3 . 6824 1 45 . 1 1 5 5 TYR HD1 H 1 6.949 0.000 . 1 . . . . 5 TYR HD1 . 6824 1 46 . 1 1 5 5 TYR HE1 H 1 6.704 0.000 . 1 . . . . 5 TYR HE1 . 6824 1 47 . 1 1 5 5 TYR C C 13 173.886 0.000 . 1 . . . . 5 TYR C . 6824 1 48 . 1 1 5 5 TYR CA C 13 56.844 0.000 . 1 . . . . 5 TYR CA . 6824 1 49 . 1 1 5 5 TYR CB C 13 40.645 0.000 . 1 . . . . 5 TYR CB . 6824 1 50 . 1 1 5 5 TYR CD1 C 13 133.170 0.000 . 1 . . . . 5 TYR CD1 . 6824 1 51 . 1 1 5 5 TYR CE1 C 13 118.020 0.000 . 1 . . . . 5 TYR CE1 . 6824 1 52 . 1 1 5 5 TYR N N 15 122.166 0.000 . 1 . . . . 5 TYR N . 6824 1 53 . 1 1 6 6 HIS H H 1 8.480 0.000 . 1 . . . . 6 HIS H . 6824 1 54 . 1 1 6 6 HIS HB2 H 1 2.795 0.000 . 2 . . . . 6 HIS HB2 . 6824 1 55 . 1 1 6 6 HIS HB3 H 1 2.437 0.000 . 2 . . . . 6 HIS HB3 . 6824 1 56 . 1 1 6 6 HIS HD2 H 1 6.189 0.000 . 1 . . . . 6 HIS HD2 . 6824 1 57 . 1 1 6 6 HIS C C 13 173.911 0.000 . 1 . . . . 6 HIS C . 6824 1 58 . 1 1 6 6 HIS CA C 13 53.732 0.000 . 1 . . . . 6 HIS CA . 6824 1 59 . 1 1 6 6 HIS CB C 13 30.943 0.000 . 1 . . . . 6 HIS CB . 6824 1 60 . 1 1 6 6 HIS N N 15 123.912 0.000 . 1 . . . . 6 HIS N . 6824 1 61 . 1 1 7 7 TYR H H 1 8.647 0.000 . 1 . . . . 7 TYR H . 6824 1 62 . 1 1 7 7 TYR HA H 1 5.339 0.000 . 1 . . . . 7 TYR HA . 6824 1 63 . 1 1 7 7 TYR HB2 H 1 2.932 0.000 . 2 . . . . 7 TYR HB2 . 6824 1 64 . 1 1 7 7 TYR HB3 H 1 2.803 0.000 . 2 . . . . 7 TYR HB3 . 6824 1 65 . 1 1 7 7 TYR HD1 H 1 6.997 0.000 . 1 . . . . 7 TYR HD1 . 6824 1 66 . 1 1 7 7 TYR HE1 H 1 6.696 0.000 . 1 . . . . 7 TYR HE1 . 6824 1 67 . 1 1 7 7 TYR C C 13 176.222 0.000 . 1 . . . . 7 TYR C . 6824 1 68 . 1 1 7 7 TYR CA C 13 56.912 0.000 . 1 . . . . 7 TYR CA . 6824 1 69 . 1 1 7 7 TYR CB C 13 41.100 0.000 . 1 . . . . 7 TYR CB . 6824 1 70 . 1 1 7 7 TYR CE1 C 13 117.876 0.000 . 1 . . . . 7 TYR CE1 . 6824 1 71 . 1 1 7 7 TYR N N 15 125.099 0.000 . 1 . . . . 7 TYR N . 6824 1 72 . 1 1 8 8 GLN H H 1 8.162 0.000 . 1 . . . . 8 GLN H . 6824 1 73 . 1 1 8 8 GLN HA H 1 4.481 0.000 . 1 . . . . 8 GLN HA . 6824 1 74 . 1 1 8 8 GLN HB2 H 1 1.965 0.000 . 2 . . . . 8 GLN HB2 . 6824 1 75 . 1 1 8 8 GLN HB3 H 1 1.922 0.000 . 2 . . . . 8 GLN HB3 . 6824 1 76 . 1 1 8 8 GLN HG2 H 1 2.126 0.000 . 2 . . . . 8 GLN HG2 . 6824 1 77 . 1 1 8 8 GLN HG3 H 1 2.107 0.000 . 2 . . . . 8 GLN HG3 . 6824 1 78 . 1 1 8 8 GLN C C 13 173.748 0.000 . 1 . . . . 8 GLN C . 6824 1 79 . 1 1 8 8 GLN CA C 13 54.924 0.000 . 1 . . . . 8 GLN CA . 6824 1 80 . 1 1 8 8 GLN CB C 13 32.741 0.000 . 1 . . . . 8 GLN CB . 6824 1 81 . 1 1 8 8 GLN CG C 13 33.723 0.000 . 1 . . . . 8 GLN CG . 6824 1 82 . 1 1 8 8 GLN N N 15 125.402 0.000 . 1 . . . . 8 GLN N . 6824 1 83 . 1 1 9 9 GLU H H 1 8.477 0.000 . 1 . . . . 9 GLU H . 6824 1 84 . 1 1 9 9 GLU HA H 1 5.322 0.000 . 1 . . . . 9 GLU HA . 6824 1 85 . 1 1 9 9 GLU HB2 H 1 1.944 0.000 . 1 . . . . 9 GLU HB2 . 6824 1 86 . 1 1 9 9 GLU HG2 H 1 2.405 0.000 . 2 . . . . 9 GLU HG2 . 6824 1 87 . 1 1 9 9 GLU HG3 H 1 2.204 0.000 . 2 . . . . 9 GLU HG3 . 6824 1 88 . 1 1 9 9 GLU C C 13 175.652 0.000 . 1 . . . . 9 GLU C . 6824 1 89 . 1 1 9 9 GLU CA C 13 54.647 0.000 . 1 . . . . 9 GLU CA . 6824 1 90 . 1 1 9 9 GLU CB C 13 31.823 0.000 . 1 . . . . 9 GLU CB . 6824 1 91 . 1 1 9 9 GLU CG C 13 37.056 0.000 . 1 . . . . 9 GLU CG . 6824 1 92 . 1 1 9 9 GLU N N 15 122.770 0.000 . 1 . . . . 9 GLU N . 6824 1 93 . 1 1 10 10 CYS H H 1 8.704 0.000 . 1 . . . . 10 CYS H . 6824 1 94 . 1 1 10 10 CYS HA H 1 4.968 0.000 . 1 . . . . 10 CYS HA . 6824 1 95 . 1 1 10 10 CYS HB2 H 1 3.096 0.000 . 2 . . . . 10 CYS HB2 . 6824 1 96 . 1 1 10 10 CYS HB3 H 1 2.846 0.000 . 2 . . . . 10 CYS HB3 . 6824 1 97 . 1 1 10 10 CYS C C 13 172.910 0.000 . 1 . . . . 10 CYS C . 6824 1 98 . 1 1 10 10 CYS CA C 13 53.028 0.000 . 1 . . . . 10 CYS CA . 6824 1 99 . 1 1 10 10 CYS CB C 13 44.200 0.000 . 1 . . . . 10 CYS CB . 6824 1 100 . 1 1 10 10 CYS N N 15 117.273 0.000 . 1 . . . . 10 CYS N . 6824 1 101 . 1 1 11 11 VAL H H 1 8.721 0.000 . 1 . . . . 11 VAL H . 6824 1 102 . 1 1 11 11 VAL HA H 1 4.173 0.000 . 1 . . . . 11 VAL HA . 6824 1 103 . 1 1 11 11 VAL HB H 1 1.897 0.000 . 1 . . . . 11 VAL HB . 6824 1 104 . 1 1 11 11 VAL HG11 H 1 0.976 0.000 . 2 . . . . 11 VAL HG1 . 6824 1 105 . 1 1 11 11 VAL HG12 H 1 0.976 0.000 . 2 . . . . 11 VAL HG1 . 6824 1 106 . 1 1 11 11 VAL HG13 H 1 0.976 0.000 . 2 . . . . 11 VAL HG1 . 6824 1 107 . 1 1 11 11 VAL HG21 H 1 0.927 0.000 . 2 . . . . 11 VAL HG2 . 6824 1 108 . 1 1 11 11 VAL HG22 H 1 0.927 0.000 . 2 . . . . 11 VAL HG2 . 6824 1 109 . 1 1 11 11 VAL HG23 H 1 0.927 0.000 . 2 . . . . 11 VAL HG2 . 6824 1 110 . 1 1 11 11 VAL C C 13 176.686 0.000 . 1 . . . . 11 VAL C . 6824 1 111 . 1 1 11 11 VAL CA C 13 62.695 0.000 . 1 . . . . 11 VAL CA . 6824 1 112 . 1 1 11 11 VAL CB C 13 31.866 0.000 . 1 . . . . 11 VAL CB . 6824 1 113 . 1 1 11 11 VAL CG1 C 13 21.146 0.000 . 1 . . . . 11 VAL CG1 . 6824 1 114 . 1 1 11 11 VAL CG2 C 13 21.957 0.000 . 1 . . . . 11 VAL CG2 . 6824 1 115 . 1 1 11 11 VAL N N 15 121.291 0.000 . 1 . . . . 11 VAL N . 6824 1 116 . 1 1 12 12 ARG H H 1 8.885 0.000 . 1 . . . . 12 ARG H . 6824 1 117 . 1 1 12 12 ARG HA H 1 3.580 0.000 . 1 . . . . 12 ARG HA . 6824 1 118 . 1 1 12 12 ARG HB2 H 1 1.788 0.000 . 2 . . . . 12 ARG HB2 . 6824 1 119 . 1 1 12 12 ARG HB3 H 1 1.566 0.000 . 2 . . . . 12 ARG HB3 . 6824 1 120 . 1 1 12 12 ARG HG2 H 1 1.577 0.000 . 1 . . . . 12 ARG HG2 . 6824 1 121 . 1 1 12 12 ARG HD2 H 1 3.173 0.000 . 1 . . . . 12 ARG HD2 . 6824 1 122 . 1 1 12 12 ARG C C 13 173.008 0.000 . 1 . . . . 12 ARG C . 6824 1 123 . 1 1 12 12 ARG CA C 13 58.561 0.000 . 1 . . . . 12 ARG CA . 6824 1 124 . 1 1 12 12 ARG CB C 13 30.423 0.000 . 1 . . . . 12 ARG CB . 6824 1 125 . 1 1 12 12 ARG CG C 13 30.281 0.000 . 1 . . . . 12 ARG CG . 6824 1 126 . 1 1 12 12 ARG CD C 13 43.475 0.000 . 1 . . . . 12 ARG CD . 6824 1 127 . 1 1 12 12 ARG N N 15 130.878 0.000 . 1 . . . . 12 ARG N . 6824 1 128 . 1 1 13 13 GLY H H 1 8.787 0.000 . 1 . . . . 13 GLY H . 6824 1 129 . 1 1 13 13 GLY HA2 H 1 3.572 0.000 . 2 . . . . 13 GLY HA2 . 6824 1 130 . 1 1 13 13 GLY HA3 H 1 4.361 0.0 . 2 . . . . 13 GLY HA3 . 6824 1 131 . 1 1 13 13 GLY C C 13 172.829 0.000 . 1 . . . . 13 GLY C . 6824 1 132 . 1 1 13 13 GLY CA C 13 45.397 0.000 . 1 . . . . 13 GLY CA . 6824 1 133 . 1 1 13 13 GLY N N 15 112.532 0.000 . 1 . . . . 13 GLY N . 6824 1 134 . 1 1 14 14 THR H H 1 7.755 0.000 . 1 . . . . 14 THR H . 6824 1 135 . 1 1 14 14 THR HA H 1 4.599 0.000 . 1 . . . . 14 THR HA . 6824 1 136 . 1 1 14 14 THR HB H 1 4.361 0.000 . 1 . . . . 14 THR HB . 6824 1 137 . 1 1 14 14 THR HG21 H 1 1.211 0.000 . 1 . . . . 14 THR HG2 . 6824 1 138 . 1 1 14 14 THR HG22 H 1 1.211 0.000 . 1 . . . . 14 THR HG2 . 6824 1 139 . 1 1 14 14 THR HG23 H 1 1.211 0.000 . 1 . . . . 14 THR HG2 . 6824 1 140 . 1 1 14 14 THR C C 13 174.140 0.000 . 1 . . . . 14 THR C . 6824 1 141 . 1 1 14 14 THR CA C 13 61.473 0.000 . 1 . . . . 14 THR CA . 6824 1 142 . 1 1 14 14 THR CB C 13 71.745 0.000 . 1 . . . . 14 THR CB . 6824 1 143 . 1 1 14 14 THR CG2 C 13 21.796 0.000 . 1 . . . . 14 THR CG2 . 6824 1 144 . 1 1 14 14 THR N N 15 110.985 0.000 . 1 . . . . 14 THR N . 6824 1 145 . 1 1 15 15 THR H H 1 8.561 0.000 . 1 . . . . 15 THR H . 6824 1 146 . 1 1 15 15 THR HA H 1 4.466 0.000 . 1 . . . . 15 THR HA . 6824 1 147 . 1 1 15 15 THR HB H 1 3.884 0.000 . 1 . . . . 15 THR HB . 6824 1 148 . 1 1 15 15 THR HG21 H 1 0.990 0.000 . 1 . . . . 15 THR HG2 . 6824 1 149 . 1 1 15 15 THR HG22 H 1 0.990 0.000 . 1 . . . . 15 THR HG2 . 6824 1 150 . 1 1 15 15 THR HG23 H 1 0.990 0.000 . 1 . . . . 15 THR HG2 . 6824 1 151 . 1 1 15 15 THR C C 13 175.288 0.000 . 1 . . . . 15 THR C . 6824 1 152 . 1 1 15 15 THR CA C 13 63.466 0.000 . 1 . . . . 15 THR CA . 6824 1 153 . 1 1 15 15 THR CB C 13 69.614 0.000 . 1 . . . . 15 THR CB . 6824 1 154 . 1 1 15 15 THR CG2 C 13 22.167 0.000 . 1 . . . . 15 THR CG2 . 6824 1 155 . 1 1 15 15 THR N N 15 117.581 0.000 . 1 . . . . 15 THR N . 6824 1 156 . 1 1 16 16 VAL H H 1 9.230 0.000 . 1 . . . . 16 VAL H . 6824 1 157 . 1 1 16 16 VAL HA H 1 4.139 0.000 . 1 . . . . 16 VAL HA . 6824 1 158 . 1 1 16 16 VAL HB H 1 1.899 0.000 . 1 . . . . 16 VAL HB . 6824 1 159 . 1 1 16 16 VAL HG11 H 1 0.865 0.000 . 2 . . . . 16 VAL HG1 . 6824 1 160 . 1 1 16 16 VAL HG12 H 1 0.865 0.000 . 2 . . . . 16 VAL HG1 . 6824 1 161 . 1 1 16 16 VAL HG13 H 1 0.865 0.000 . 2 . . . . 16 VAL HG1 . 6824 1 162 . 1 1 16 16 VAL HG21 H 1 0.767 0.000 . 2 . . . . 16 VAL HG2 . 6824 1 163 . 1 1 16 16 VAL HG22 H 1 0.767 0.000 . 2 . . . . 16 VAL HG2 . 6824 1 164 . 1 1 16 16 VAL HG23 H 1 0.767 0.000 . 2 . . . . 16 VAL HG2 . 6824 1 165 . 1 1 16 16 VAL C C 13 175.075 0.000 . 1 . . . . 16 VAL C . 6824 1 166 . 1 1 16 16 VAL CA C 13 61.132 0.000 . 1 . . . . 16 VAL CA . 6824 1 167 . 1 1 16 16 VAL CB C 13 33.618 0.000 . 1 . . . . 16 VAL CB . 6824 1 168 . 1 1 16 16 VAL CG1 C 13 21.357 0.000 . 1 . . . . 16 VAL CG1 . 6824 1 169 . 1 1 16 16 VAL CG2 C 13 20.934 0.000 . 1 . . . . 16 VAL CG2 . 6824 1 170 . 1 1 16 16 VAL N N 15 129.031 0.000 . 1 . . . . 16 VAL N . 6824 1 171 . 1 1 17 17 LEU H H 1 8.060 0.000 . 1 . . . . 17 LEU H . 6824 1 172 . 1 1 17 17 LEU HA H 1 4.853 0.000 . 1 . . . . 17 LEU HA . 6824 1 173 . 1 1 17 17 LEU HB2 H 1 1.462 0.000 . 2 . . . . 17 LEU HB2 . 6824 1 174 . 1 1 17 17 LEU HB3 H 1 1.260 0.000 . 2 . . . . 17 LEU HB3 . 6824 1 175 . 1 1 17 17 LEU HG H 1 1.387 0.000 . 1 . . . . 17 LEU HG . 6824 1 176 . 1 1 17 17 LEU HD11 H 1 0.742 0.000 . 2 . . . . 17 LEU HD1 . 6824 1 177 . 1 1 17 17 LEU HD12 H 1 0.742 0.000 . 2 . . . . 17 LEU HD1 . 6824 1 178 . 1 1 17 17 LEU HD13 H 1 0.742 0.000 . 2 . . . . 17 LEU HD1 . 6824 1 179 . 1 1 17 17 LEU HD21 H 1 0.692 0.000 . 2 . . . . 17 LEU HD2 . 6824 1 180 . 1 1 17 17 LEU HD22 H 1 0.692 0.000 . 2 . . . . 17 LEU HD2 . 6824 1 181 . 1 1 17 17 LEU HD23 H 1 0.692 0.000 . 2 . . . . 17 LEU HD2 . 6824 1 182 . 1 1 17 17 LEU C C 13 175.701 0.000 . 1 . . . . 17 LEU C . 6824 1 183 . 1 1 17 17 LEU CA C 13 53.669 0.000 . 1 . . . . 17 LEU CA . 6824 1 184 . 1 1 17 17 LEU CB C 13 43.641 0.000 . 1 . . . . 17 LEU CB . 6824 1 185 . 1 1 17 17 LEU CG C 13 27.589 0.000 . 1 . . . . 17 LEU CG . 6824 1 186 . 1 1 17 17 LEU CD1 C 13 24.941 0.000 . 2 . . . . 17 LEU CD1 . 6824 1 187 . 1 1 17 17 LEU CD2 C 13 24.817 0.000 . 2 . . . . 17 LEU CD2 . 6824 1 188 . 1 1 17 17 LEU N N 15 126.745 0.000 . 1 . . . . 17 LEU N . 6824 1 189 . 1 1 18 18 LEU H H 1 8.457 0.000 . 1 . . . . 18 LEU H . 6824 1 190 . 1 1 18 18 LEU HA H 1 4.425 0.000 . 1 . . . . 18 LEU HA . 6824 1 191 . 1 1 18 18 LEU HB2 H 1 0.897 0.000 . 1 . . . . 18 LEU HB2 . 6824 1 192 . 1 1 18 18 LEU HB3 H 1 0.309 0.000 . 1 . . . . 18 LEU HB3 . 6824 1 193 . 1 1 18 18 LEU HG H 1 1.139 0.000 . 1 . . . . 18 LEU HG . 6824 1 194 . 1 1 18 18 LEU HD11 H 1 0.696 0.000 . 2 . . . . 18 LEU HD1 . 6824 1 195 . 1 1 18 18 LEU HD12 H 1 0.696 0.000 . 2 . . . . 18 LEU HD1 . 6824 1 196 . 1 1 18 18 LEU HD13 H 1 0.696 0.000 . 2 . . . . 18 LEU HD1 . 6824 1 197 . 1 1 18 18 LEU HD21 H 1 0.523 0.000 . 2 . . . . 18 LEU HD2 . 6824 1 198 . 1 1 18 18 LEU HD22 H 1 0.523 0.000 . 2 . . . . 18 LEU HD2 . 6824 1 199 . 1 1 18 18 LEU HD23 H 1 0.523 0.000 . 2 . . . . 18 LEU HD2 . 6824 1 200 . 1 1 18 18 LEU C C 13 172.649 0.000 . 1 . . . . 18 LEU C . 6824 1 201 . 1 1 18 18 LEU CA C 13 53.178 0.000 . 1 . . . . 18 LEU CA . 6824 1 202 . 1 1 18 18 LEU CB C 13 45.148 0.000 . 1 . . . . 18 LEU CB . 6824 1 203 . 1 1 18 18 LEU CG C 13 27.267 0.000 . 1 . . . . 18 LEU CG . 6824 1 204 . 1 1 18 18 LEU CD1 C 13 24.297 0.000 . 2 . . . . 18 LEU CD1 . 6824 1 205 . 1 1 18 18 LEU CD2 C 13 26.000 0.000 . 2 . . . . 18 LEU CD2 . 6824 1 206 . 1 1 18 18 LEU N N 15 125.763 0.000 . 1 . . . . 18 LEU N . 6824 1 207 . 1 1 19 19 LYS H H 1 7.927 0.000 . 1 . . . . 19 LYS H . 6824 1 208 . 1 1 19 19 LYS HA H 1 4.444 0.000 . 1 . . . . 19 LYS HA . 6824 1 209 . 1 1 19 19 LYS HB2 H 1 1.663 0.000 . 2 . . . . 19 LYS HB2 . 6824 1 210 . 1 1 19 19 LYS HB3 H 1 1.514 0.000 . 2 . . . . 19 LYS HB3 . 6824 1 211 . 1 1 19 19 LYS HG2 H 1 1.389 0.000 . 1 . . . . 19 LYS HG2 . 6824 1 212 . 1 1 19 19 LYS HD2 H 1 1.574 0.000 . 2 . . . . 19 LYS HD2 . 6824 1 213 . 1 1 19 19 LYS HD3 H 1 1.662 0.000 . 2 . . . . 19 LYS HD3 . 6824 1 214 . 1 1 19 19 LYS HE2 H 1 2.950 0.000 . 1 . . . . 19 LYS HE2 . 6824 1 215 . 1 1 19 19 LYS C C 13 174.070 0.000 . 1 . . . . 19 LYS C . 6824 1 216 . 1 1 19 19 LYS CA C 13 54.996 0.000 . 1 . . . . 19 LYS CA . 6824 1 217 . 1 1 19 19 LYS CB C 13 33.584 0.000 . 1 . . . . 19 LYS CB . 6824 1 218 . 1 1 19 19 LYS CG C 13 24.760 0.000 . 1 . . . . 19 LYS CG . 6824 1 219 . 1 1 19 19 LYS CD C 13 29.206 0.000 . 1 . . . . 19 LYS CD . 6824 1 220 . 1 1 19 19 LYS CE C 13 42.246 0.000 . 1 . . . . 19 LYS CE . 6824 1 221 . 1 1 19 19 LYS N N 15 119.441 0.000 . 1 . . . . 19 LYS N . 6824 1 222 . 1 1 20 20 GLU H H 1 8.567 0.000 . 1 . . . . 20 GLU H . 6824 1 223 . 1 1 20 20 GLU HA H 1 3.697 0.000 . 1 . . . . 20 GLU HA . 6824 1 224 . 1 1 20 20 GLU HB2 H 1 1.744 0.000 . 1 . . . . 20 GLU HB2 . 6824 1 225 . 1 1 20 20 GLU HG2 H 1 2.099 0.000 . 2 . . . . 20 GLU HG2 . 6824 1 226 . 1 1 20 20 GLU HG3 H 1 1.998 0.000 . 2 . . . . 20 GLU HG3 . 6824 1 227 . 1 1 20 20 GLU C C 13 171.987 0.000 . 1 . . . . 20 GLU C . 6824 1 228 . 1 1 20 20 GLU CA C 13 54.837 0.000 . 1 . . . . 20 GLU CA . 6824 1 229 . 1 1 20 20 GLU CB C 13 28.935 0.000 . 1 . . . . 20 GLU CB . 6824 1 230 . 1 1 20 20 GLU CG C 13 35.712 0.000 . 1 . . . . 20 GLU CG . 6824 1 231 . 1 1 20 20 GLU N N 15 125.028 0.000 . 1 . . . . 20 GLU N . 6824 1 232 . 1 1 21 21 PRO HA H 1 4.125 0.000 . 1 . . . . 21 PRO HA . 6824 1 233 . 1 1 21 21 PRO HB2 H 1 1.602 0.000 . 2 . . . . 21 PRO HB2 . 6824 1 234 . 1 1 21 21 PRO HB3 H 1 0.677 0.000 . 2 . . . . 21 PRO HB3 . 6824 1 235 . 1 1 21 21 PRO HG2 H 1 1.453 0.000 . 2 . . . . 21 PRO HG2 . 6824 1 236 . 1 1 21 21 PRO HG3 H 1 1.613 0.000 . 2 . . . . 21 PRO HG3 . 6824 1 237 . 1 1 21 21 PRO HD2 H 1 3.215 0.000 . 2 . . . . 21 PRO HD2 . 6824 1 238 . 1 1 21 21 PRO HD3 H 1 2.311 0.000 . 2 . . . . 21 PRO HD3 . 6824 1 239 . 1 1 21 21 PRO CA C 13 63.681 0.000 . 1 . . . . 21 PRO CA . 6824 1 240 . 1 1 21 21 PRO CB C 13 30.588 0.000 . 1 . . . . 21 PRO CB . 6824 1 241 . 1 1 21 21 PRO CG C 13 27.649 0.000 . 1 . . . . 21 PRO CG . 6824 1 242 . 1 1 21 21 PRO CD C 13 49.460 0.000 . 1 . . . . 21 PRO CD . 6824 1 243 . 1 1 22 22 CYS H H 1 6.814 0.000 . 1 . . . . 22 CYS H . 6824 1 244 . 1 1 22 22 CYS HA H 1 4.955 0.000 . 1 . . . . 22 CYS HA . 6824 1 245 . 1 1 22 22 CYS HB2 H 1 3.740 0.000 . 2 . . . . 22 CYS HB2 . 6824 1 246 . 1 1 22 22 CYS HB3 H 1 3.236 0.000 . 2 . . . . 22 CYS HB3 . 6824 1 247 . 1 1 22 22 CYS C C 13 173.793 0.000 . 1 . . . . 22 CYS C . 6824 1 248 . 1 1 22 22 CYS CA C 13 52.146 0.000 . 1 . . . . 22 CYS CA . 6824 1 249 . 1 1 22 22 CYS CB C 13 45.986 0.000 . 1 . . . . 22 CYS CB . 6824 1 250 . 1 1 22 22 CYS N N 15 113.372 0.000 . 1 . . . . 22 CYS N . 6824 1 251 . 1 1 23 23 PRO HA H 1 4.414 0.000 . 1 . . . . 23 PRO HA . 6824 1 252 . 1 1 23 23 PRO HB2 H 1 2.270 0.000 . 2 . . . . 23 PRO HB2 . 6824 1 253 . 1 1 23 23 PRO HB3 H 1 1.957 0.000 . 2 . . . . 23 PRO HB3 . 6824 1 254 . 1 1 23 23 PRO HG2 H 1 2.064 0.000 . 2 . . . . 23 PRO HG2 . 6824 1 255 . 1 1 23 23 PRO HG3 H 1 1.960 0.000 . 2 . . . . 23 PRO HG3 . 6824 1 256 . 1 1 23 23 PRO HD2 H 1 3.667 0.000 . 2 . . . . 23 PRO HD2 . 6824 1 257 . 1 1 23 23 PRO HD3 H 1 3.707 0.000 . 2 . . . . 23 PRO HD3 . 6824 1 258 . 1 1 23 23 PRO CA C 13 63.643 0.000 . 1 . . . . 23 PRO CA . 6824 1 259 . 1 1 23 23 PRO CB C 13 31.902 0.000 . 1 . . . . 23 PRO CB . 6824 1 260 . 1 1 23 23 PRO CG C 13 27.331 0.000 . 1 . . . . 23 PRO CG . 6824 1 261 . 1 1 23 23 PRO CD C 13 50.442 0.000 . 1 . . . . 23 PRO CD . 6824 1 262 . 1 1 24 24 SER H H 1 8.322 0.000 . 1 . . . . 24 SER H . 6824 1 263 . 1 1 24 24 SER HA H 1 4.375 0.000 . 1 . . . . 24 SER HA . 6824 1 264 . 1 1 24 24 SER HB2 H 1 3.992 0.000 . 2 . . . . 24 SER HB2 . 6824 1 265 . 1 1 24 24 SER HB3 H 1 3.901 0.000 . 2 . . . . 24 SER HB3 . 6824 1 266 . 1 1 24 24 SER C C 13 172.059 0.000 . 1 . . . . 24 SER C . 6824 1 267 . 1 1 24 24 SER CA C 13 58.227 0.000 . 1 . . . . 24 SER CA . 6824 1 268 . 1 1 24 24 SER CB C 13 62.962 0.000 . 1 . . . . 24 SER CB . 6824 1 269 . 1 1 24 24 SER N N 15 113.670 0.000 . 1 . . . . 24 SER N . 6824 1 270 . 1 1 25 25 GLY H H 1 8.220 0.000 . 1 . . . . 25 GLY H . 6824 1 271 . 1 1 25 25 GLY HA2 H 1 3.777 0.000 . 2 . . . . 25 GLY HA2 . 6824 1 272 . 1 1 25 25 GLY HA3 H 1 4.41 0.0 . 2 . . . . 25 GLY HA3 . 6824 1 273 . 1 1 25 25 GLY C C 13 174.288 0.000 . 1 . . . . 25 GLY C . 6824 1 274 . 1 1 25 25 GLY CA C 13 45.879 0.000 . 1 . . . . 25 GLY CA . 6824 1 275 . 1 1 25 25 GLY N N 15 109.287 0.000 . 1 . . . . 25 GLY N . 6824 1 276 . 1 1 26 26 THR H H 1 8.380 0.000 . 1 . . . . 26 THR H . 6824 1 277 . 1 1 26 26 THR HA H 1 4.447 0.000 . 1 . . . . 26 THR HA . 6824 1 278 . 1 1 26 26 THR HB H 1 3.989 0.000 . 1 . . . . 26 THR HB . 6824 1 279 . 1 1 26 26 THR HG21 H 1 1.132 0.000 . 1 . . . . 26 THR HG2 . 6824 1 280 . 1 1 26 26 THR HG22 H 1 1.132 0.000 . 1 . . . . 26 THR HG2 . 6824 1 281 . 1 1 26 26 THR HG23 H 1 1.132 0.000 . 1 . . . . 26 THR HG2 . 6824 1 282 . 1 1 26 26 THR C C 13 175.809 0.000 . 1 . . . . 26 THR C . 6824 1 283 . 1 1 26 26 THR CA C 13 61.435 0.000 . 1 . . . . 26 THR CA . 6824 1 284 . 1 1 26 26 THR CB C 13 70.903 0.000 . 1 . . . . 26 THR CB . 6824 1 285 . 1 1 26 26 THR CG2 C 13 21.648 0.000 . 1 . . . . 26 THR CG2 . 6824 1 286 . 1 1 26 26 THR N N 15 115.657 0.000 . 1 . . . . 26 THR N . 6824 1 287 . 1 1 27 27 TYR H H 1 8.263 0.000 . 1 . . . . 27 TYR H . 6824 1 288 . 1 1 27 27 TYR HA H 1 4.097 0.000 . 1 . . . . 27 TYR HA . 6824 1 289 . 1 1 27 27 TYR HB2 H 1 2.159 0.000 . 2 . . . . 27 TYR HB2 . 6824 1 290 . 1 1 27 27 TYR HB3 H 1 1.982 0.000 . 2 . . . . 27 TYR HB3 . 6824 1 291 . 1 1 27 27 TYR HD1 H 1 6.280 0.000 . 1 . . . . 27 TYR HD1 . 6824 1 292 . 1 1 27 27 TYR HE1 H 1 6.150 0.000 . 1 . . . . 27 TYR HE1 . 6824 1 293 . 1 1 27 27 TYR C C 13 175.577 0.000 . 1 . . . . 27 TYR C . 6824 1 294 . 1 1 27 27 TYR CA C 13 57.732 0.000 . 1 . . . . 27 TYR CA . 6824 1 295 . 1 1 27 27 TYR CB C 13 39.148 0.000 . 1 . . . . 27 TYR CB . 6824 1 296 . 1 1 27 27 TYR CD1 C 13 133.097 0.000 . 1 . . . . 27 TYR CD1 . 6824 1 297 . 1 1 27 27 TYR CE1 C 13 118.490 0.000 . 1 . . . . 27 TYR CE1 . 6824 1 298 . 1 1 27 27 TYR N N 15 127.889 0.000 . 1 . . . . 27 TYR N . 6824 1 299 . 1 1 28 28 GLU H H 1 8.296 0.000 . 1 . . . . 28 GLU H . 6824 1 300 . 1 1 28 28 GLU HA H 1 4.339 0.000 . 1 . . . . 28 GLU HA . 6824 1 301 . 1 1 28 28 GLU HB2 H 1 1.764 0.000 . 2 . . . . 28 GLU HB2 . 6824 1 302 . 1 1 28 28 GLU HB3 H 1 1.725 0.000 . 2 . . . . 28 GLU HB3 . 6824 1 303 . 1 1 28 28 GLU HG2 H 1 2.037 0.000 . 2 . . . . 28 GLU HG2 . 6824 1 304 . 1 1 28 28 GLU HG3 H 1 1.959 0.000 . 2 . . . . 28 GLU HG3 . 6824 1 305 . 1 1 28 28 GLU C C 13 174.176 0.000 . 1 . . . . 28 GLU C . 6824 1 306 . 1 1 28 28 GLU CA C 13 54.736 0.000 . 1 . . . . 28 GLU CA . 6824 1 307 . 1 1 28 28 GLU CB C 13 31.705 0.000 . 1 . . . . 28 GLU CB . 6824 1 308 . 1 1 28 28 GLU CG C 13 35.585 0.000 . 1 . . . . 28 GLU CG . 6824 1 309 . 1 1 28 28 GLU N N 15 127.843 0.000 . 1 . . . . 28 GLU N . 6824 1 310 . 1 1 29 29 GLY H H 1 7.658 0.000 . 1 . . . . 29 GLY H . 6824 1 311 . 1 1 29 29 GLY HA2 H 1 3.846 0.000 . 2 . . . . 29 GLY HA2 . 6824 1 312 . 1 1 29 29 GLY HA3 H 1 4.078 0.0 . 2 . . . . 29 GLY HA3 . 6824 1 313 . 1 1 29 29 GLY C C 13 174.009 0.000 . 1 . . . . 29 GLY C . 6824 1 314 . 1 1 29 29 GLY CA C 13 45.335 0.000 . 1 . . . . 29 GLY CA . 6824 1 315 . 1 1 29 29 GLY N N 15 111.006 0.000 . 1 . . . . 29 GLY N . 6824 1 316 . 1 1 30 30 ASN H H 1 8.499 0.000 . 1 . . . . 30 ASN H . 6824 1 317 . 1 1 30 30 ASN HA H 1 4.830 0.000 . 1 . . . . 30 ASN HA . 6824 1 318 . 1 1 30 30 ASN HB2 H 1 2.839 0.000 . 1 . . . . 30 ASN HB2 . 6824 1 319 . 1 1 30 30 ASN CA C 13 53.816 0.000 . 1 . . . . 30 ASN CA . 6824 1 320 . 1 1 30 30 ASN CB C 13 39.477 0.000 . 1 . . . . 30 ASN CB . 6824 1 321 . 1 1 30 30 ASN N N 15 117.091 0.000 . 1 . . . . 30 ASN N . 6824 1 322 . 1 1 31 31 SER H H 1 8.001 0.000 . 1 . . . . 31 SER H . 6824 1 323 . 1 1 31 31 SER HA H 1 4.757 0.000 . 1 . . . . 31 SER HA . 6824 1 324 . 1 1 31 31 SER HB2 H 1 3.793 0.000 . 2 . . . . 31 SER HB2 . 6824 1 325 . 1 1 31 31 SER HB3 H 1 3.684 0.000 . 2 . . . . 31 SER HB3 . 6824 1 326 . 1 1 31 31 SER C C 13 172.952 0.000 . 1 . . . . 31 SER C . 6824 1 327 . 1 1 31 31 SER CA C 13 57.000 0.000 . 1 . . . . 31 SER CA . 6824 1 328 . 1 1 31 31 SER CB C 13 63.414 0.000 . 1 . . . . 31 SER CB . 6824 1 329 . 1 1 31 31 SER N N 15 116.506 0.000 . 1 . . . . 31 SER N . 6824 1 330 . 1 1 32 32 PRO HA H 1 4.302 0.000 . 1 . . . . 32 PRO HA . 6824 1 331 . 1 1 32 32 PRO HB2 H 1 2.154 0.000 . 2 . . . . 32 PRO HB2 . 6824 1 332 . 1 1 32 32 PRO HB3 H 1 1.663 0.000 . 2 . . . . 32 PRO HB3 . 6824 1 333 . 1 1 32 32 PRO HG2 H 1 1.924 0.000 . 1 . . . . 32 PRO HG2 . 6824 1 334 . 1 1 32 32 PRO HD2 H 1 3.583 0.000 . 2 . . . . 32 PRO HD2 . 6824 1 335 . 1 1 32 32 PRO HD3 H 1 3.825 0.000 . 2 . . . . 32 PRO HD3 . 6824 1 336 . 1 1 32 32 PRO CA C 13 63.474 0.000 . 1 . . . . 32 PRO CA . 6824 1 337 . 1 1 32 32 PRO CB C 13 32.026 0.000 . 1 . . . . 32 PRO CB . 6824 1 338 . 1 1 32 32 PRO CG C 13 27.331 0.000 . 1 . . . . 32 PRO CG . 6824 1 339 . 1 1 32 32 PRO CD C 13 50.776 0.000 . 1 . . . . 32 PRO CD . 6824 1 340 . 1 1 33 33 PHE H H 1 7.868 0.000 . 1 . . . . 33 PHE H . 6824 1 341 . 1 1 33 33 PHE HA H 1 4.468 0.000 . 1 . . . . 33 PHE HA . 6824 1 342 . 1 1 33 33 PHE HB2 H 1 2.344 0.000 . 1 . . . . 33 PHE HB2 . 6824 1 343 . 1 1 33 33 PHE HD1 H 1 6.656 0.000 . 1 . . . . 33 PHE HD1 . 6824 1 344 . 1 1 33 33 PHE CA C 13 56.031 0.000 . 1 . . . . 33 PHE CA . 6824 1 345 . 1 1 33 33 PHE CB C 13 41.028 0.000 . 1 . . . . 33 PHE CB . 6824 1 346 . 1 1 33 33 PHE N N 15 122.111 0.000 . 1 . . . . 33 PHE N . 6824 1 347 . 1 1 34 34 HIS H H 1 8.356 0.000 . 1 . . . . 34 HIS H . 6824 1 348 . 1 1 34 34 HIS HA H 1 5.009 0.000 . 1 . . . . 34 HIS HA . 6824 1 349 . 1 1 34 34 HIS HB2 H 1 2.998 0.000 . 2 . . . . 34 HIS HB2 . 6824 1 350 . 1 1 34 34 HIS HB3 H 1 3.117 0.000 . 2 . . . . 34 HIS HB3 . 6824 1 351 . 1 1 34 34 HIS C C 13 174.516 0.000 . 1 . . . . 34 HIS C . 6824 1 352 . 1 1 34 34 HIS CA C 13 52.013 0.000 . 1 . . . . 34 HIS CA . 6824 1 353 . 1 1 34 34 HIS CB C 13 29.770 0.000 . 1 . . . . 34 HIS CB . 6824 1 354 . 1 1 34 34 HIS N N 15 122.357 0.000 . 1 . . . . 34 HIS N . 6824 1 355 . 1 1 35 35 PRO HA H 1 4.367 0.000 . 1 . . . . 35 PRO HA . 6824 1 356 . 1 1 35 35 PRO HB2 H 1 2.210 0.000 . 2 . . . . 35 PRO HB2 . 6824 1 357 . 1 1 35 35 PRO HB3 H 1 1.982 0.000 . 2 . . . . 35 PRO HB3 . 6824 1 358 . 1 1 35 35 PRO HG2 H 1 2.007 0.000 . 2 . . . . 35 PRO HG2 . 6824 1 359 . 1 1 35 35 PRO HG3 H 1 1.882 0.000 . 2 . . . . 35 PRO HG3 . 6824 1 360 . 1 1 35 35 PRO HD2 H 1 3.579 0.000 . 2 . . . . 35 PRO HD2 . 6824 1 361 . 1 1 35 35 PRO HD3 H 1 3.123 0.000 . 2 . . . . 35 PRO HD3 . 6824 1 362 . 1 1 35 35 PRO CA C 13 63.170 0.000 . 1 . . . . 35 PRO CA . 6824 1 363 . 1 1 35 35 PRO CB C 13 32.507 0.000 . 1 . . . . 35 PRO CB . 6824 1 364 . 1 1 35 35 PRO CG C 13 26.760 0.000 . 1 . . . . 35 PRO CG . 6824 1 365 . 1 1 35 35 PRO CD C 13 50.781 0.000 . 1 . . . . 35 PRO CD . 6824 1 366 . 1 1 36 36 LEU H H 1 8.353 0.000 . 1 . . . . 36 LEU H . 6824 1 367 . 1 1 36 36 LEU HA H 1 4.604 0.000 . 1 . . . . 36 LEU HA . 6824 1 368 . 1 1 36 36 LEU HB2 H 1 1.568 0.000 . 2 . . . . 36 LEU HB2 . 6824 1 369 . 1 1 36 36 LEU HB3 H 1 1.381 0.000 . 2 . . . . 36 LEU HB3 . 6824 1 370 . 1 1 36 36 LEU HG H 1 1.504 0.000 . 1 . . . . 36 LEU HG . 6824 1 371 . 1 1 36 36 LEU HD11 H 1 0.747 0.000 . 2 . . . . 36 LEU HD1 . 6824 1 372 . 1 1 36 36 LEU HD12 H 1 0.747 0.000 . 2 . . . . 36 LEU HD1 . 6824 1 373 . 1 1 36 36 LEU HD13 H 1 0.747 0.000 . 2 . . . . 36 LEU HD1 . 6824 1 374 . 1 1 36 36 LEU HD21 H 1 0.698 0.000 . 2 . . . . 36 LEU HD2 . 6824 1 375 . 1 1 36 36 LEU HD22 H 1 0.698 0.000 . 2 . . . . 36 LEU HD2 . 6824 1 376 . 1 1 36 36 LEU HD23 H 1 0.698 0.000 . 2 . . . . 36 LEU HD2 . 6824 1 377 . 1 1 36 36 LEU C C 13 172.702 0.000 . 1 . . . . 36 LEU C . 6824 1 378 . 1 1 36 36 LEU CA C 13 53.369 0.000 . 1 . . . . 36 LEU CA . 6824 1 379 . 1 1 36 36 LEU CB C 13 45.250 0.000 . 1 . . . . 36 LEU CB . 6824 1 380 . 1 1 36 36 LEU CG C 13 26.950 0.000 . 1 . . . . 36 LEU CG . 6824 1 381 . 1 1 36 36 LEU CD1 C 13 23.151 0.000 . 2 . . . . 36 LEU CD1 . 6824 1 382 . 1 1 36 36 LEU CD2 C 13 26.462 0.000 . 2 . . . . 36 LEU CD2 . 6824 1 383 . 1 1 36 36 LEU N N 15 122.829 0.000 . 1 . . . . 36 LEU N . 6824 1 384 . 1 1 37 37 ALA H H 1 7.761 0.000 . 1 . . . . 37 ALA H . 6824 1 385 . 1 1 37 37 ALA HA H 1 4.225 0.000 . 1 . . . . 37 ALA HA . 6824 1 386 . 1 1 37 37 ALA HB1 H 1 1.346 0.000 . 1 . . . . 37 ALA HB . 6824 1 387 . 1 1 37 37 ALA HB2 H 1 1.346 0.000 . 1 . . . . 37 ALA HB . 6824 1 388 . 1 1 37 37 ALA HB3 H 1 1.346 0.000 . 1 . . . . 37 ALA HB . 6824 1 389 . 1 1 37 37 ALA C C 13 172.591 0.000 . 1 . . . . 37 ALA C . 6824 1 390 . 1 1 37 37 ALA CA C 13 52.685 0.000 . 1 . . . . 37 ALA CA . 6824 1 391 . 1 1 37 37 ALA CB C 13 19.374 0.000 . 1 . . . . 37 ALA CB . 6824 1 392 . 1 1 37 37 ALA N N 15 120.577 0.000 . 1 . . . . 37 ALA N . 6824 1 393 . 1 1 38 38 ASP H H 1 8.589 0.000 . 1 . . . . 38 ASP H . 6824 1 394 . 1 1 38 38 ASP HA H 1 4.254 0.000 . 1 . . . . 38 ASP HA . 6824 1 395 . 1 1 38 38 ASP HB2 H 1 2.787 0.000 . 2 . . . . 38 ASP HB2 . 6824 1 396 . 1 1 38 38 ASP HB3 H 1 2.569 0.000 . 2 . . . . 38 ASP HB3 . 6824 1 397 . 1 1 38 38 ASP C C 13 171.467 0.000 . 1 . . . . 38 ASP C . 6824 1 398 . 1 1 38 38 ASP CA C 13 55.065 0.000 . 1 . . . . 38 ASP CA . 6824 1 399 . 1 1 38 38 ASP CB C 13 39.540 0.000 . 1 . . . . 38 ASP CB . 6824 1 400 . 1 1 38 38 ASP N N 15 115.652 0.000 . 1 . . . . 38 ASP N . 6824 1 401 . 1 1 39 39 ASN H H 1 8.550 0.000 . 1 . . . . 39 ASN H . 6824 1 402 . 1 1 39 39 ASN HA H 1 4.389 0.000 . 1 . . . . 39 ASN HA . 6824 1 403 . 1 1 39 39 ASN HB2 H 1 2.951 0.000 . 2 . . . . 39 ASN HB2 . 6824 1 404 . 1 1 39 39 ASN HB3 H 1 2.851 0.000 . 2 . . . . 39 ASN HB3 . 6824 1 405 . 1 1 39 39 ASN C C 13 173.312 0.000 . 1 . . . . 39 ASN C . 6824 1 406 . 1 1 39 39 ASN CA C 13 54.762 0.000 . 1 . . . . 39 ASN CA . 6824 1 407 . 1 1 39 39 ASN CB C 13 37.462 0.000 . 1 . . . . 39 ASN CB . 6824 1 408 . 1 1 39 39 ASN N N 15 111.346 0.000 . 1 . . . . 39 ASN N . 6824 1 409 . 1 1 40 40 LYS H H 1 7.031 0.000 . 1 . . . . 40 LYS H . 6824 1 410 . 1 1 40 40 LYS HA H 1 5.135 0.000 . 1 . . . . 40 LYS HA . 6824 1 411 . 1 1 40 40 LYS HB2 H 1 1.575 0.000 . 2 . . . . 40 LYS HB2 . 6824 1 412 . 1 1 40 40 LYS HG2 H 1 1.414 0.000 . 2 . . . . 40 LYS HG2 . 6824 1 413 . 1 1 40 40 LYS HG3 H 1 1.152 0.000 . 1 . . . . 40 LYS HG3 . 6824 1 414 . 1 1 40 40 LYS HD2 H 1 1.502 0.000 . 1 . . . . 40 LYS HD2 . 6824 1 415 . 1 1 40 40 LYS HE2 H 1 2.831 0.000 . 2 . . . . 40 LYS HE2 . 6824 1 416 . 1 1 40 40 LYS HE3 H 1 2.879 0.000 . 2 . . . . 40 LYS HE3 . 6824 1 417 . 1 1 40 40 LYS C C 13 174.829 0.000 . 1 . . . . 40 LYS C . 6824 1 418 . 1 1 40 40 LYS CA C 13 55.069 0.000 . 1 . . . . 40 LYS CA . 6824 1 419 . 1 1 40 40 LYS CB C 13 36.334 0.000 . 1 . . . . 40 LYS CB . 6824 1 420 . 1 1 40 40 LYS CG C 13 25.363 0.000 . 1 . . . . 40 LYS CG . 6824 1 421 . 1 1 40 40 LYS CD C 13 29.490 0.000 . 1 . . . . 40 LYS CD . 6824 1 422 . 1 1 40 40 LYS CE C 13 42.188 0.000 . 1 . . . . 40 LYS CE . 6824 1 423 . 1 1 40 40 LYS N N 15 116.464 0.000 . 1 . . . . 40 LYS N . 6824 1 424 . 1 1 41 41 PHE H H 1 8.914 0.000 . 1 . . . . 41 PHE H . 6824 1 425 . 1 1 41 41 PHE HA H 1 4.908 0.000 . 1 . . . . 41 PHE HA . 6824 1 426 . 1 1 41 41 PHE HB2 H 1 2.845 0.000 . 2 . . . . 41 PHE HB2 . 6824 1 427 . 1 1 41 41 PHE HB3 H 1 2.431 0.000 . 2 . . . . 41 PHE HB3 . 6824 1 428 . 1 1 41 41 PHE HD1 H 1 6.687 0.000 . 1 . . . . 41 PHE HD1 . 6824 1 429 . 1 1 41 41 PHE HE1 H 1 6.654 0.000 . 1 . . . . 41 PHE HE1 . 6824 1 430 . 1 1 41 41 PHE C C 13 173.867 0.000 . 1 . . . . 41 PHE C . 6824 1 431 . 1 1 41 41 PHE CA C 13 56.406 0.000 . 1 . . . . 41 PHE CA . 6824 1 432 . 1 1 41 41 PHE CB C 13 41.503 0.000 . 1 . . . . 41 PHE CB . 6824 1 433 . 1 1 41 41 PHE CD1 C 13 132.424 0.000 . 1 . . . . 41 PHE CD1 . 6824 1 434 . 1 1 41 41 PHE CE1 C 13 130.847 0.000 . 1 . . . . 41 PHE CE1 . 6824 1 435 . 1 1 41 41 PHE N N 15 117.268 0.000 . 1 . . . . 41 PHE N . 6824 1 436 . 1 1 42 42 ALA H H 1 8.310 0.000 . 1 . . . . 42 ALA H . 6824 1 437 . 1 1 42 42 ALA HA H 1 5.488 0.000 . 1 . . . . 42 ALA HA . 6824 1 438 . 1 1 42 42 ALA HB1 H 1 1.113 0.000 . 1 . . . . 42 ALA HB . 6824 1 439 . 1 1 42 42 ALA HB2 H 1 1.113 0.000 . 1 . . . . 42 ALA HB . 6824 1 440 . 1 1 42 42 ALA HB3 H 1 1.113 0.000 . 1 . . . . 42 ALA HB . 6824 1 441 . 1 1 42 42 ALA C C 13 177.241 0.000 . 1 . . . . 42 ALA C . 6824 1 442 . 1 1 42 42 ALA CA C 13 49.885 0.000 . 1 . . . . 42 ALA CA . 6824 1 443 . 1 1 42 42 ALA CB C 13 22.940 0.000 . 1 . . . . 42 ALA CB . 6824 1 444 . 1 1 42 42 ALA N N 15 121.624 0.000 . 1 . . . . 42 ALA N . 6824 1 445 . 1 1 43 43 LEU H H 1 8.512 0.000 . 1 . . . . 43 LEU H . 6824 1 446 . 1 1 43 43 LEU HA H 1 4.678 0.000 . 1 . . . . 43 LEU HA . 6824 1 447 . 1 1 43 43 LEU HB2 H 1 1.575 0.000 . 2 . . . . 43 LEU HB2 . 6824 1 448 . 1 1 43 43 LEU HB3 H 1 1.356 0.000 . 2 . . . . 43 LEU HB3 . 6824 1 449 . 1 1 43 43 LEU HG H 1 1.425 0.000 . 1 . . . . 43 LEU HG . 6824 1 450 . 1 1 43 43 LEU HD11 H 1 0.590 0.000 . 2 . . . . 43 LEU HD1 . 6824 1 451 . 1 1 43 43 LEU HD12 H 1 0.590 0.000 . 2 . . . . 43 LEU HD1 . 6824 1 452 . 1 1 43 43 LEU HD13 H 1 0.590 0.000 . 2 . . . . 43 LEU HD1 . 6824 1 453 . 1 1 43 43 LEU HD21 H 1 0.541 0.000 . 2 . . . . 43 LEU HD2 . 6824 1 454 . 1 1 43 43 LEU HD22 H 1 0.541 0.000 . 2 . . . . 43 LEU HD2 . 6824 1 455 . 1 1 43 43 LEU HD23 H 1 0.541 0.000 . 2 . . . . 43 LEU HD2 . 6824 1 456 . 1 1 43 43 LEU C C 13 172.000 0.000 . 1 . . . . 43 LEU C . 6824 1 457 . 1 1 43 43 LEU CA C 13 54.305 0.000 . 1 . . . . 43 LEU CA . 6824 1 458 . 1 1 43 43 LEU CB C 13 45.587 0.000 . 1 . . . . 43 LEU CB . 6824 1 459 . 1 1 43 43 LEU CG C 13 27.209 0.000 . 1 . . . . 43 LEU CG . 6824 1 460 . 1 1 43 43 LEU CD1 C 13 25.383 0.000 . 2 . . . . 43 LEU CD1 . 6824 1 461 . 1 1 43 43 LEU CD2 C 13 26.562 0.000 . 2 . . . . 43 LEU CD2 . 6824 1 462 . 1 1 43 43 LEU N N 15 119.665 0.000 . 1 . . . . 43 LEU N . 6824 1 463 . 1 1 44 44 THR H H 1 8.448 0.000 . 1 . . . . 44 THR H . 6824 1 464 . 1 1 44 44 THR HA H 1 4.271 0.000 . 1 . . . . 44 THR HA . 6824 1 465 . 1 1 44 44 THR HB H 1 3.865 0.000 . 1 . . . . 44 THR HB . 6824 1 466 . 1 1 44 44 THR HG21 H 1 1.087 0.000 . 1 . . . . 44 THR HG2 . 6824 1 467 . 1 1 44 44 THR HG22 H 1 1.087 0.000 . 1 . . . . 44 THR HG2 . 6824 1 468 . 1 1 44 44 THR HG23 H 1 1.087 0.000 . 1 . . . . 44 THR HG2 . 6824 1 469 . 1 1 44 44 THR C C 13 172.938 0.000 . 1 . . . . 44 THR C . 6824 1 470 . 1 1 44 44 THR CA C 13 63.570 0.000 . 1 . . . . 44 THR CA . 6824 1 471 . 1 1 44 44 THR CB C 13 69.048 0.000 . 1 . . . . 44 THR CB . 6824 1 472 . 1 1 44 44 THR CG2 C 13 22.093 0.000 . 1 . . . . 44 THR CG2 . 6824 1 473 . 1 1 44 44 THR N N 15 118.275 0.000 . 1 . . . . 44 THR N . 6824 1 474 . 1 1 45 45 CYS H H 1 9.100 0.000 . 1 . . . . 45 CYS H . 6824 1 475 . 1 1 45 45 CYS HA H 1 4.137 0.000 . 1 . . . . 45 CYS HA . 6824 1 476 . 1 1 45 45 CYS HB2 H 1 3.133 0.000 . 2 . . . . 45 CYS HB2 . 6824 1 477 . 1 1 45 45 CYS HB3 H 1 2.737 0.000 . 2 . . . . 45 CYS HB3 . 6824 1 478 . 1 1 45 45 CYS C C 13 174.434 0.000 . 1 . . . . 45 CYS C . 6824 1 479 . 1 1 45 45 CYS CA C 13 58.558 0.000 . 1 . . . . 45 CYS CA . 6824 1 480 . 1 1 45 45 CYS CB C 13 40.507 0.000 . 1 . . . . 45 CYS CB . 6824 1 481 . 1 1 45 45 CYS N N 15 123.279 0.000 . 1 . . . . 45 CYS N . 6824 1 482 . 1 1 46 46 THR H H 1 7.431 0.000 . 1 . . . . 46 THR H . 6824 1 483 . 1 1 46 46 THR HA H 1 4.197 0.000 . 1 . . . . 46 THR HA . 6824 1 484 . 1 1 46 46 THR HB H 1 4.091 0.000 . 1 . . . . 46 THR HB . 6824 1 485 . 1 1 46 46 THR HG21 H 1 1.087 0.000 . 1 . . . . 46 THR HG2 . 6824 1 486 . 1 1 46 46 THR HG22 H 1 1.087 0.000 . 1 . . . . 46 THR HG2 . 6824 1 487 . 1 1 46 46 THR HG23 H 1 1.087 0.000 . 1 . . . . 46 THR HG2 . 6824 1 488 . 1 1 46 46 THR C C 13 175.381 0.000 . 1 . . . . 46 THR C . 6824 1 489 . 1 1 46 46 THR CA C 13 60.341 0.000 . 1 . . . . 46 THR CA . 6824 1 490 . 1 1 46 46 THR CB C 13 70.699 0.000 . 1 . . . . 46 THR CB . 6824 1 491 . 1 1 46 46 THR CG2 C 13 20.685 0.000 . 1 . . . . 46 THR CG2 . 6824 1 492 . 1 1 46 46 THR N N 15 125.169 0.000 . 1 . . . . 46 THR N . 6824 1 493 . 1 1 47 47 SER H H 1 8.243 0.000 . 1 . . . . 47 SER H . 6824 1 494 . 1 1 47 47 SER HA H 1 5.097 0.000 . 1 . . . . 47 SER HA . 6824 1 495 . 1 1 47 47 SER HB2 H 1 4.089 0.000 . 2 . . . . 47 SER HB2 . 6824 1 496 . 1 1 47 47 SER HB3 H 1 4.043 0.000 . 2 . . . . 47 SER HB3 . 6824 1 497 . 1 1 47 47 SER C C 13 177.177 0.000 . 1 . . . . 47 SER C . 6824 1 498 . 1 1 47 47 SER CA C 13 58.661 0.000 . 1 . . . . 47 SER CA . 6824 1 499 . 1 1 47 47 SER CB C 13 62.617 0.000 . 1 . . . . 47 SER CB . 6824 1 500 . 1 1 47 47 SER N N 15 118.143 0.000 . 1 . . . . 47 SER N . 6824 1 501 . 1 1 48 48 THR H H 1 8.430 0.000 . 1 . . . . 48 THR H . 6824 1 502 . 1 1 48 48 THR HA H 1 4.837 0.000 . 1 . . . . 48 THR HA . 6824 1 503 . 1 1 48 48 THR HB H 1 4.201 0.000 . 1 . . . . 48 THR HB . 6824 1 504 . 1 1 48 48 THR HG21 H 1 1.212 0.000 . 1 . . . . 48 THR HG2 . 6824 1 505 . 1 1 48 48 THR HG22 H 1 1.212 0.000 . 1 . . . . 48 THR HG2 . 6824 1 506 . 1 1 48 48 THR HG23 H 1 1.212 0.000 . 1 . . . . 48 THR HG2 . 6824 1 507 . 1 1 48 48 THR C C 13 174.743 0.000 . 1 . . . . 48 THR C . 6824 1 508 . 1 1 48 48 THR CA C 13 60.736 0.000 . 1 . . . . 48 THR CA . 6824 1 509 . 1 1 48 48 THR CB C 13 68.647 0.000 . 1 . . . . 48 THR CB . 6824 1 510 . 1 1 48 48 THR CG2 C 13 18.684 0.000 . 1 . . . . 48 THR CG2 . 6824 1 511 . 1 1 48 48 THR N N 15 121.993 0.000 . 1 . . . . 48 THR N . 6824 1 512 . 1 1 49 49 HIS H H 1 8.166 0.000 . 1 . . . . 49 HIS H . 6824 1 513 . 1 1 49 49 HIS HA H 1 5.841 0.000 . 1 . . . . 49 HIS HA . 6824 1 514 . 1 1 49 49 HIS HB2 H 1 3.276 0.000 . 1 . . . . 49 HIS HB2 . 6824 1 515 . 1 1 49 49 HIS C C 13 177.761 0.000 . 1 . . . . 49 HIS C . 6824 1 516 . 1 1 49 49 HIS CA C 13 54.261 0.000 . 1 . . . . 49 HIS CA . 6824 1 517 . 1 1 49 49 HIS CB C 13 32.602 0.000 . 1 . . . . 49 HIS CB . 6824 1 518 . 1 1 49 49 HIS N N 15 119.418 0.000 . 1 . . . . 49 HIS N . 6824 1 519 . 1 1 50 50 PHE H H 1 8.669 0.000 . 1 . . . . 50 PHE H . 6824 1 520 . 1 1 50 50 PHE HA H 1 4.980 0.000 . 1 . . . . 50 PHE HA . 6824 1 521 . 1 1 50 50 PHE HB2 H 1 3.350 0.000 . 2 . . . . 50 PHE HB2 . 6824 1 522 . 1 1 50 50 PHE HB3 H 1 3.024 0.000 . 2 . . . . 50 PHE HB3 . 6824 1 523 . 1 1 50 50 PHE HD1 H 1 6.813 0.000 . 1 . . . . 50 PHE HD1 . 6824 1 524 . 1 1 50 50 PHE HE1 H 1 6.723 0.000 . 1 . . . . 50 PHE HE1 . 6824 1 525 . 1 1 50 50 PHE HZ H 1 6.614 0.000 . 1 . . . . 50 PHE HZ . 6824 1 526 . 1 1 50 50 PHE C C 13 175.134 0.000 . 1 . . . . 50 PHE C . 6824 1 527 . 1 1 50 50 PHE CA C 13 56.788 0.000 . 1 . . . . 50 PHE CA . 6824 1 528 . 1 1 50 50 PHE CB C 13 40.332 0.000 . 1 . . . . 50 PHE CB . 6824 1 529 . 1 1 50 50 PHE CD1 C 13 132.360 0.000 . 1 . . . . 50 PHE CD1 . 6824 1 530 . 1 1 50 50 PHE CE1 C 13 130.949 0.000 . 1 . . . . 50 PHE CE1 . 6824 1 531 . 1 1 50 50 PHE CZ C 13 129.346 0.000 . 1 . . . . 50 PHE CZ . 6824 1 532 . 1 1 50 50 PHE N N 15 118.476 0.000 . 1 . . . . 50 PHE N . 6824 1 533 . 1 1 51 51 ALA H H 1 8.787 0.000 . 1 . . . . 51 ALA H . 6824 1 534 . 1 1 51 51 ALA HA H 1 5.775 0.000 . 1 . . . . 51 ALA HA . 6824 1 535 . 1 1 51 51 ALA HB1 H 1 1.402 0.000 . 1 . . . . 51 ALA HB . 6824 1 536 . 1 1 51 51 ALA HB2 H 1 1.402 0.000 . 1 . . . . 51 ALA HB . 6824 1 537 . 1 1 51 51 ALA HB3 H 1 1.402 0.000 . 1 . . . . 51 ALA HB . 6824 1 538 . 1 1 51 51 ALA C C 13 176.753 0.000 . 1 . . . . 51 ALA C . 6824 1 539 . 1 1 51 51 ALA CA C 13 50.831 0.000 . 1 . . . . 51 ALA CA . 6824 1 540 . 1 1 51 51 ALA CB C 13 23.462 0.000 . 1 . . . . 51 ALA CB . 6824 1 541 . 1 1 51 51 ALA N N 15 121.732 0.000 . 1 . . . . 51 ALA N . 6824 1 542 . 1 1 52 52 PHE H H 1 9.343 0.000 . 1 . . . . 52 PHE H . 6824 1 543 . 1 1 52 52 PHE HA H 1 5.171 0.000 . 1 . . . . 52 PHE HA . 6824 1 544 . 1 1 52 52 PHE HB2 H 1 3.000 0.000 . 2 . . . . 52 PHE HB2 . 6824 1 545 . 1 1 52 52 PHE HB3 H 1 2.785 0.000 . 2 . . . . 52 PHE HB3 . 6824 1 546 . 1 1 52 52 PHE HD1 H 1 6.912 0.000 . 1 . . . . 52 PHE HD1 . 6824 1 547 . 1 1 52 52 PHE HE1 H 1 6.463 0.000 . 1 . . . . 52 PHE HE1 . 6824 1 548 . 1 1 52 52 PHE C C 13 173.290 0.000 . 1 . . . . 52 PHE C . 6824 1 549 . 1 1 52 52 PHE CA C 13 57.341 0.000 . 1 . . . . 52 PHE CA . 6824 1 550 . 1 1 52 52 PHE CB C 13 44.485 0.000 . 1 . . . . 52 PHE CB . 6824 1 551 . 1 1 52 52 PHE CD1 C 13 131.325 0.000 . 1 . . . . 52 PHE CD1 . 6824 1 552 . 1 1 52 52 PHE CE1 C 13 129.638 0.000 . 1 . . . . 52 PHE CE1 . 6824 1 553 . 1 1 52 52 PHE N N 15 118.712 0.000 . 1 . . . . 52 PHE N . 6824 1 554 . 1 1 53 53 ALA H H 1 8.815 0.000 . 1 . . . . 53 ALA H . 6824 1 555 . 1 1 53 53 ALA HA H 1 4.937 0.000 . 1 . . . . 53 ALA HA . 6824 1 556 . 1 1 53 53 ALA HB1 H 1 1.357 0.000 . 1 . . . . 53 ALA HB . 6824 1 557 . 1 1 53 53 ALA HB2 H 1 1.357 0.000 . 1 . . . . 53 ALA HB . 6824 1 558 . 1 1 53 53 ALA HB3 H 1 1.357 0.000 . 1 . . . . 53 ALA HB . 6824 1 559 . 1 1 53 53 ALA C C 13 174.400 0.000 . 1 . . . . 53 ALA C . 6824 1 560 . 1 1 53 53 ALA CA C 13 51.067 0.000 . 1 . . . . 53 ALA CA . 6824 1 561 . 1 1 53 53 ALA CB C 13 19.962 0.000 . 1 . . . . 53 ALA CB . 6824 1 562 . 1 1 53 53 ALA N N 15 127.318 0.000 . 1 . . . . 53 ALA N . 6824 1 563 . 1 1 54 54 CYS H H 1 8.709 0.000 . 1 . . . . 54 CYS H . 6824 1 564 . 1 1 54 54 CYS HA H 1 5.014 0.000 . 1 . . . . 54 CYS HA . 6824 1 565 . 1 1 54 54 CYS HB2 H 1 3.472 0.000 . 1 . . . . 54 CYS HB2 . 6824 1 566 . 1 1 54 54 CYS C C 13 171.432 0.000 . 1 . . . . 54 CYS C . 6824 1 567 . 1 1 54 54 CYS CA C 13 55.069 0.000 . 1 . . . . 54 CYS CA . 6824 1 568 . 1 1 54 54 CYS CB C 13 42.870 0.000 . 1 . . . . 54 CYS CB . 6824 1 569 . 1 1 54 54 CYS N N 15 121.973 0.000 . 1 . . . . 54 CYS N . 6824 1 570 . 1 1 55 55 ALA H H 1 8.795 0.000 . 1 . . . . 55 ALA H . 6824 1 571 . 1 1 55 55 ALA HA H 1 4.170 0.000 . 1 . . . . 55 ALA HA . 6824 1 572 . 1 1 55 55 ALA HB1 H 1 1.478 0.000 . 1 . . . . 55 ALA HB . 6824 1 573 . 1 1 55 55 ALA HB2 H 1 1.478 0.000 . 1 . . . . 55 ALA HB . 6824 1 574 . 1 1 55 55 ALA HB3 H 1 1.478 0.000 . 1 . . . . 55 ALA HB . 6824 1 575 . 1 1 55 55 ALA C C 13 171.948 0.000 . 1 . . . . 55 ALA C . 6824 1 576 . 1 1 55 55 ALA CA C 13 55.069 0.000 . 1 . . . . 55 ALA CA . 6824 1 577 . 1 1 55 55 ALA CB C 13 18.360 0.000 . 1 . . . . 55 ALA CB . 6824 1 578 . 1 1 55 55 ALA N N 15 126.200 0.000 . 1 . . . . 55 ALA N . 6824 1 579 . 1 1 56 56 ASP H H 1 7.834 0.000 . 1 . . . . 56 ASP H . 6824 1 580 . 1 1 56 56 ASP HA H 1 4.474 0.000 . 1 . . . . 56 ASP HA . 6824 1 581 . 1 1 56 56 ASP HB2 H 1 3.091 0.000 . 2 . . . . 56 ASP HB2 . 6824 1 582 . 1 1 56 56 ASP HB3 H 1 2.620 0.000 . 2 . . . . 56 ASP HB3 . 6824 1 583 . 1 1 56 56 ASP C C 13 171.008 0.000 . 1 . . . . 56 ASP C . 6824 1 584 . 1 1 56 56 ASP CA C 13 53.710 0.000 . 1 . . . . 56 ASP CA . 6824 1 585 . 1 1 56 56 ASP CB C 13 40.058 0.000 . 1 . . . . 56 ASP CB . 6824 1 586 . 1 1 56 56 ASP N N 15 114.651 0.000 . 1 . . . . 56 ASP N . 6824 1 587 . 1 1 57 57 GLY H H 1 7.996 0.000 . 1 . . . . 57 GLY H . 6824 1 588 . 1 1 57 57 GLY HA2 H 1 3.688 0.000 . 2 . . . . 57 GLY HA2 . 6824 1 589 . 1 1 57 57 GLY HA3 H 1 4.396 0.0 . 2 . . . . 57 GLY HA3 . 6824 1 590 . 1 1 57 57 GLY C C 13 171.887 0.000 . 1 . . . . 57 GLY C . 6824 1 591 . 1 1 57 57 GLY CA C 13 45.108 0.000 . 1 . . . . 57 GLY CA . 6824 1 592 . 1 1 57 57 GLY N N 15 108.037 0.000 . 1 . . . . 57 GLY N . 6824 1 593 . 1 1 58 58 THR H H 1 8.068 0.000 . 1 . . . . 58 THR H . 6824 1 594 . 1 1 58 58 THR HA H 1 4.218 0.000 . 1 . . . . 58 THR HA . 6824 1 595 . 1 1 58 58 THR HB H 1 3.999 0.000 . 1 . . . . 58 THR HB . 6824 1 596 . 1 1 58 58 THR HG21 H 1 1.030 0.000 . 1 . . . . 58 THR HG2 . 6824 1 597 . 1 1 58 58 THR HG22 H 1 1.030 0.000 . 1 . . . . 58 THR HG2 . 6824 1 598 . 1 1 58 58 THR HG23 H 1 1.030 0.000 . 1 . . . . 58 THR HG2 . 6824 1 599 . 1 1 58 58 THR C C 13 173.766 0.000 . 1 . . . . 58 THR C . 6824 1 600 . 1 1 58 58 THR CA C 13 63.598 0.000 . 1 . . . . 58 THR CA . 6824 1 601 . 1 1 58 58 THR CB C 13 69.859 0.000 . 1 . . . . 58 THR CB . 6824 1 602 . 1 1 58 58 THR CG2 C 13 22.093 0.000 . 1 . . . . 58 THR CG2 . 6824 1 603 . 1 1 58 58 THR N N 15 116.932 0.000 . 1 . . . . 58 THR N . 6824 1 604 . 1 1 59 59 ARG H H 1 8.305 0.000 . 1 . . . . 59 ARG H . 6824 1 605 . 1 1 59 59 ARG HA H 1 5.197 0.000 . 1 . . . . 59 ARG HA . 6824 1 606 . 1 1 59 59 ARG HB2 H 1 1.733 0.000 . 2 . . . . 59 ARG HB2 . 6824 1 607 . 1 1 59 59 ARG HB3 H 1 1.663 0.000 . 2 . . . . 59 ARG HB3 . 6824 1 608 . 1 1 59 59 ARG HG2 H 1 1.543 0.000 . 2 . . . . 59 ARG HG2 . 6824 1 609 . 1 1 59 59 ARG HG3 H 1 1.428 0.000 . 2 . . . . 59 ARG HG3 . 6824 1 610 . 1 1 59 59 ARG HD2 H 1 3.178 0.000 . 2 . . . . 59 ARG HD2 . 6824 1 611 . 1 1 59 59 ARG HD3 H 1 3.098 0.000 . 2 . . . . 59 ARG HD3 . 6824 1 612 . 1 1 59 59 ARG C C 13 175.458 0.000 . 1 . . . . 59 ARG C . 6824 1 613 . 1 1 59 59 ARG CA C 13 55.294 0.000 . 1 . . . . 59 ARG CA . 6824 1 614 . 1 1 59 59 ARG CB C 13 33.421 0.000 . 1 . . . . 59 ARG CB . 6824 1 615 . 1 1 59 59 ARG CG C 13 28.236 0.000 . 1 . . . . 59 ARG CG . 6824 1 616 . 1 1 59 59 ARG CD C 13 43.394 0.000 . 1 . . . . 59 ARG CD . 6824 1 617 . 1 1 59 59 ARG N N 15 124.848 0.000 . 1 . . . . 59 ARG N . 6824 1 618 . 1 1 60 60 HIS H H 1 9.134 0.000 . 1 . . . . 60 HIS H . 6824 1 619 . 1 1 60 60 HIS HA H 1 5.204 0.000 . 1 . . . . 60 HIS HA . 6824 1 620 . 1 1 60 60 HIS HB2 H 1 3.293 0.000 . 2 . . . . 60 HIS HB2 . 6824 1 621 . 1 1 60 60 HIS HB3 H 1 2.949 0.000 . 2 . . . . 60 HIS HB3 . 6824 1 622 . 1 1 60 60 HIS HD2 H 1 7.048 0.000 . 1 . . . . 60 HIS HD2 . 6824 1 623 . 1 1 60 60 HIS C C 13 174.198 0.000 . 1 . . . . 60 HIS C . 6824 1 624 . 1 1 60 60 HIS CA C 13 55.274 0.000 . 1 . . . . 60 HIS CA . 6824 1 625 . 1 1 60 60 HIS CB C 13 35.146 0.000 . 1 . . . . 60 HIS CB . 6824 1 626 . 1 1 60 60 HIS N N 15 124.779 0.000 . 1 . . . . 60 HIS N . 6824 1 627 . 1 1 61 61 THR H H 1 9.049 0.000 . 1 . . . . 61 THR H . 6824 1 628 . 1 1 61 61 THR HA H 1 4.861 0.000 . 1 . . . . 61 THR HA . 6824 1 629 . 1 1 61 61 THR HB H 1 3.921 0.000 . 1 . . . . 61 THR HB . 6824 1 630 . 1 1 61 61 THR HG21 H 1 1.176 0.000 . 1 . . . . 61 THR HG2 . 6824 1 631 . 1 1 61 61 THR HG22 H 1 1.176 0.000 . 1 . . . . 61 THR HG2 . 6824 1 632 . 1 1 61 61 THR HG23 H 1 1.176 0.000 . 1 . . . . 61 THR HG2 . 6824 1 633 . 1 1 61 61 THR C C 13 173.697 0.000 . 1 . . . . 61 THR C . 6824 1 634 . 1 1 61 61 THR CA C 13 61.987 0.000 . 1 . . . . 61 THR CA . 6824 1 635 . 1 1 61 61 THR CB C 13 70.387 0.000 . 1 . . . . 61 THR CB . 6824 1 636 . 1 1 61 61 THR CG2 C 13 22.241 0.000 . 1 . . . . 61 THR CG2 . 6824 1 637 . 1 1 61 61 THR N N 15 119.630 0.000 . 1 . . . . 61 THR N . 6824 1 638 . 1 1 62 62 TYR H H 1 9.213 0.000 . 1 . . . . 62 TYR H . 6824 1 639 . 1 1 62 62 TYR HA H 1 4.987 0.000 . 1 . . . . 62 TYR HA . 6824 1 640 . 1 1 62 62 TYR HB2 H 1 1.802 0.000 . 2 . . . . 62 TYR HB2 . 6824 1 641 . 1 1 62 62 TYR HB3 H 1 1.183 0.000 . 2 . . . . 62 TYR HB3 . 6824 1 642 . 1 1 62 62 TYR HD1 H 1 6.694 0.000 . 1 . . . . 62 TYR HD1 . 6824 1 643 . 1 1 62 62 TYR HE1 H 1 6.452 0.000 . 1 . . . . 62 TYR HE1 . 6824 1 644 . 1 1 62 62 TYR C C 13 176.160 0.000 . 1 . . . . 62 TYR C . 6824 1 645 . 1 1 62 62 TYR CA C 13 56.445 0.000 . 1 . . . . 62 TYR CA . 6824 1 646 . 1 1 62 62 TYR CB C 13 41.309 0.000 . 1 . . . . 62 TYR CB . 6824 1 647 . 1 1 62 62 TYR CD1 C 13 133.425 0.000 . 1 . . . . 62 TYR CD1 . 6824 1 648 . 1 1 62 62 TYR CE1 C 13 117.310 0.000 . 1 . . . . 62 TYR CE1 . 6824 1 649 . 1 1 62 62 TYR N N 15 124.516 0.000 . 1 . . . . 62 TYR N . 6824 1 650 . 1 1 63 63 GLN H H 1 8.395 0.000 . 1 . . . . 63 GLN H . 6824 1 651 . 1 1 63 63 GLN HA H 1 4.854 0.000 . 1 . . . . 63 GLN HA . 6824 1 652 . 1 1 63 63 GLN HB2 H 1 2.204 0.000 . 2 . . . . 63 GLN HB2 . 6824 1 653 . 1 1 63 63 GLN HB3 H 1 2.070 0.000 . 2 . . . . 63 GLN HB3 . 6824 1 654 . 1 1 63 63 GLN HG2 H 1 2.244 0.000 . 1 . . . . 63 GLN HG2 . 6824 1 655 . 1 1 63 63 GLN C C 13 173.857 0.000 . 1 . . . . 63 GLN C . 6824 1 656 . 1 1 63 63 GLN CA C 13 54.785 0.000 . 1 . . . . 63 GLN CA . 6824 1 657 . 1 1 63 63 GLN CB C 13 31.658 0.000 . 1 . . . . 63 GLN CB . 6824 1 658 . 1 1 63 63 GLN CG C 13 33.934 0.000 . 1 . . . . 63 GLN CG . 6824 1 659 . 1 1 63 63 GLN N N 15 120.542 0.000 . 1 . . . . 63 GLN N . 6824 1 660 . 1 1 64 64 LEU H H 1 8.699 0.000 . 1 . . . . 64 LEU H . 6824 1 661 . 1 1 64 64 LEU HA H 1 5.361 0.000 . 1 . . . . 64 LEU HA . 6824 1 662 . 1 1 64 64 LEU HB2 H 1 1.914 0.000 . 2 . . . . 64 LEU HB2 . 6824 1 663 . 1 1 64 64 LEU HB3 H 1 1.749 0.000 . 2 . . . . 64 LEU HB3 . 6824 1 664 . 1 1 64 64 LEU HG H 1 1.751 0.000 . 1 . . . . 64 LEU HG . 6824 1 665 . 1 1 64 64 LEU HD11 H 1 0.948 0.000 . 2 . . . . 64 LEU HD1 . 6824 1 666 . 1 1 64 64 LEU HD12 H 1 0.948 0.000 . 2 . . . . 64 LEU HD1 . 6824 1 667 . 1 1 64 64 LEU HD13 H 1 0.948 0.000 . 2 . . . . 64 LEU HD1 . 6824 1 668 . 1 1 64 64 LEU HD21 H 1 0.926 0.000 . 2 . . . . 64 LEU HD2 . 6824 1 669 . 1 1 64 64 LEU HD22 H 1 0.926 0.000 . 2 . . . . 64 LEU HD2 . 6824 1 670 . 1 1 64 64 LEU HD23 H 1 0.926 0.000 . 2 . . . . 64 LEU HD2 . 6824 1 671 . 1 1 64 64 LEU C C 13 175.003 0.000 . 1 . . . . 64 LEU C . 6824 1 672 . 1 1 64 64 LEU CA C 13 53.136 0.000 . 1 . . . . 64 LEU CA . 6824 1 673 . 1 1 64 64 LEU CB C 13 44.439 0.000 . 1 . . . . 64 LEU CB . 6824 1 674 . 1 1 64 64 LEU CG C 13 28.156 0.000 . 1 . . . . 64 LEU CG . 6824 1 675 . 1 1 64 64 LEU CD1 C 13 25.169 0.000 . 2 . . . . 64 LEU CD1 . 6824 1 676 . 1 1 64 64 LEU CD2 C 13 24.982 0.000 . 2 . . . . 64 LEU CD2 . 6824 1 677 . 1 1 64 64 LEU N N 15 126.058 0.000 . 1 . . . . 64 LEU N . 6824 1 678 . 1 1 65 65 ARG H H 1 8.415 0.000 . 1 . . . . 65 ARG H . 6824 1 679 . 1 1 65 65 ARG HA H 1 4.717 0.000 . 1 . . . . 65 ARG HA . 6824 1 680 . 1 1 65 65 ARG HB2 H 1 1.816 0.000 . 2 . . . . 65 ARG HB2 . 6824 1 681 . 1 1 65 65 ARG HB3 H 1 1.696 0.000 . 2 . . . . 65 ARG HB3 . 6824 1 682 . 1 1 65 65 ARG HG2 H 1 1.660 0.000 . 2 . . . . 65 ARG HG2 . 6824 1 683 . 1 1 65 65 ARG HG3 H 1 1.535 0.000 . 2 . . . . 65 ARG HG3 . 6824 1 684 . 1 1 65 65 ARG HD2 H 1 3.267 0.000 . 1 . . . . 65 ARG HD2 . 6824 1 685 . 1 1 65 65 ARG C C 13 171.894 0.000 . 1 . . . . 65 ARG C . 6824 1 686 . 1 1 65 65 ARG CA C 13 54.668 0.000 . 1 . . . . 65 ARG CA . 6824 1 687 . 1 1 65 65 ARG CB C 13 32.877 0.000 . 1 . . . . 65 ARG CB . 6824 1 688 . 1 1 65 65 ARG CG C 13 27.384 0.000 . 1 . . . . 65 ARG CG . 6824 1 689 . 1 1 65 65 ARG CD C 13 43.458 0.000 . 1 . . . . 65 ARG CD . 6824 1 690 . 1 1 65 65 ARG N N 15 125.258 0.000 . 1 . . . . 65 ARG N . 6824 1 691 . 1 1 66 66 ALA H H 1 8.174 0.000 . 1 . . . . 66 ALA H . 6824 1 692 . 1 1 66 66 ALA HA H 1 4.781 0.000 . 1 . . . . 66 ALA HA . 6824 1 693 . 1 1 66 66 ALA HB1 H 1 1.102 0.000 . 1 . . . . 66 ALA HB . 6824 1 694 . 1 1 66 66 ALA HB2 H 1 1.102 0.000 . 1 . . . . 66 ALA HB . 6824 1 695 . 1 1 66 66 ALA HB3 H 1 1.102 0.000 . 1 . . . . 66 ALA HB . 6824 1 696 . 1 1 66 66 ALA C C 13 174.900 0.000 . 1 . . . . 66 ALA C . 6824 1 697 . 1 1 66 66 ALA CA C 13 51.068 0.000 . 1 . . . . 66 ALA CA . 6824 1 698 . 1 1 66 66 ALA CB C 13 20.794 0.000 . 1 . . . . 66 ALA CB . 6824 1 699 . 1 1 66 66 ALA N N 15 128.485 0.000 . 1 . . . . 66 ALA N . 6824 1 700 . 1 1 67 67 ARG H H 1 9.065 0.000 . 1 . . . . 67 ARG H . 6824 1 701 . 1 1 67 67 ARG HA H 1 4.672 0.000 . 1 . . . . 67 ARG HA . 6824 1 702 . 1 1 67 67 ARG HB2 H 1 1.872 0.000 . 2 . . . . 67 ARG HB2 . 6824 1 703 . 1 1 67 67 ARG HB3 H 1 1.716 0.000 . 2 . . . . 67 ARG HB3 . 6824 1 704 . 1 1 67 67 ARG HG2 H 1 1.588 0.000 . 1 . . . . 67 ARG HG2 . 6824 1 705 . 1 1 67 67 ARG HD2 H 1 3.115 0.000 . 1 . . . . 67 ARG HD2 . 6824 1 706 . 1 1 67 67 ARG C C 13 171.242 0.000 . 1 . . . . 67 ARG C . 6824 1 707 . 1 1 67 67 ARG CA C 13 54.449 0.000 . 1 . . . . 67 ARG CA . 6824 1 708 . 1 1 67 67 ARG CB C 13 32.810 0.000 . 1 . . . . 67 ARG CB . 6824 1 709 . 1 1 67 67 ARG CG C 13 26.681 0.000 . 1 . . . . 67 ARG CG . 6824 1 710 . 1 1 67 67 ARG CD C 13 43.352 0.000 . 1 . . . . 67 ARG CD . 6824 1 711 . 1 1 67 67 ARG N N 15 122.297 0.000 . 1 . . . . 67 ARG N . 6824 1 712 . 1 1 68 68 SER H H 1 8.634 0.000 . 1 . . . . 68 SER H . 6824 1 713 . 1 1 68 68 SER HA H 1 4.632 0.000 . 1 . . . . 68 SER HA . 6824 1 714 . 1 1 68 68 SER HB2 H 1 3.889 0.000 . 2 . . . . 68 SER HB2 . 6824 1 715 . 1 1 68 68 SER HB3 H 1 3.844 0.000 . 2 . . . . 68 SER HB3 . 6824 1 716 . 1 1 68 68 SER CA C 13 58.331 0.000 . 1 . . . . 68 SER CA . 6824 1 717 . 1 1 68 68 SER CB C 13 64.114 0.000 . 1 . . . . 68 SER CB . 6824 1 718 . 1 1 68 68 SER N N 15 118.050 0.000 . 1 . . . . 68 SER N . 6824 1 719 . 1 1 69 69 VAL H H 1 8.106 0.000 . 1 . . . . 69 VAL H . 6824 1 720 . 1 1 69 69 VAL HA H 1 4.194 0.000 . 1 . . . . 69 VAL HA . 6824 1 721 . 1 1 69 69 VAL HB H 1 2.069 0.000 . 1 . . . . 69 VAL HB . 6824 1 722 . 1 1 69 69 VAL HG11 H 1 0.913 0.0 . 1 . . . . 69 VAL HG1 . 6824 1 723 . 1 1 69 69 VAL HG12 H 1 0.913 0.0 . 1 . . . . 69 VAL HG1 . 6824 1 724 . 1 1 69 69 VAL HG13 H 1 0.913 0.0 . 1 . . . . 69 VAL HG1 . 6824 1 725 . 1 1 69 69 VAL HG21 H 1 0.913 0.0 . 1 . . . . 69 VAL HG2 . 6824 1 726 . 1 1 69 69 VAL HG22 H 1 0.913 0.0 . 1 . . . . 69 VAL HG2 . 6824 1 727 . 1 1 69 69 VAL HG23 H 1 0.913 0.0 . 1 . . . . 69 VAL HG2 . 6824 1 728 . 1 1 69 69 VAL C C 13 174.707 0.000 . 1 . . . . 69 VAL C . 6824 1 729 . 1 1 69 69 VAL CA C 13 61.898 0.000 . 1 . . . . 69 VAL CA . 6824 1 730 . 1 1 69 69 VAL CB C 13 33.465 0.000 . 1 . . . . 69 VAL CB . 6824 1 731 . 1 1 69 69 VAL CG1 C 13 21.216 0.000 . 1 . . . . 69 VAL CG1 . 6824 1 732 . 1 1 69 69 VAL CG2 C 13 20.511 0.000 . 1 . . . . 69 VAL CG2 . 6824 1 733 . 1 1 69 69 VAL N N 15 120.152 0.000 . 1 . . . . 69 VAL N . 6824 1 734 . 1 1 70 70 SER H H 1 8.229 0.000 . 1 . . . . 70 SER H . 6824 1 735 . 1 1 70 70 SER HA H 1 4.734 0.000 . 1 . . . . 70 SER HA . 6824 1 736 . 1 1 70 70 SER HB2 H 1 3.855 0.000 . 2 . . . . 70 SER HB2 . 6824 1 737 . 1 1 70 70 SER HB3 H 1 3.820 0.000 . 2 . . . . 70 SER HB3 . 6824 1 738 . 1 1 70 70 SER C C 13 173.330 0.000 . 1 . . . . 70 SER C . 6824 1 739 . 1 1 70 70 SER CA C 13 56.254 0.000 . 1 . . . . 70 SER CA . 6824 1 740 . 1 1 70 70 SER CB C 13 63.790 0.000 . 1 . . . . 70 SER CB . 6824 1 741 . 1 1 70 70 SER N N 15 119.910 0.000 . 1 . . . . 70 SER N . 6824 1 742 . 1 1 71 71 PRO HA H 1 4.383 0.000 . 1 . . . . 71 PRO HA . 6824 1 743 . 1 1 71 71 PRO HB2 H 1 2.273 0.000 . 2 . . . . 71 PRO HB2 . 6824 1 744 . 1 1 71 71 PRO HB3 H 1 1.896 0.000 . 2 . . . . 71 PRO HB3 . 6824 1 745 . 1 1 71 71 PRO HG2 H 1 1.982 0.000 . 1 . . . . 71 PRO HG2 . 6824 1 746 . 1 1 71 71 PRO HD2 H 1 3.803 0.000 . 2 . . . . 71 PRO HD2 . 6824 1 747 . 1 1 71 71 PRO HD3 H 1 3.741 0.000 . 2 . . . . 71 PRO HD3 . 6824 1 748 . 1 1 71 71 PRO CA C 13 63.627 0.000 . 1 . . . . 71 PRO CA . 6824 1 749 . 1 1 71 71 PRO CB C 13 32.214 0.000 . 1 . . . . 71 PRO CB . 6824 1 750 . 1 1 71 71 PRO CG C 13 27.191 0.000 . 1 . . . . 71 PRO CG . 6824 1 751 . 1 1 71 71 PRO CD C 13 50.830 0.000 . 1 . . . . 71 PRO CD . 6824 1 752 . 1 1 72 72 LYS H H 1 8.042 0.000 . 1 . . . . 72 LYS H . 6824 1 753 . 1 1 72 72 LYS HA H 1 4.200 0.000 . 1 . . . . 72 LYS HA . 6824 1 754 . 1 1 72 72 LYS HB2 H 1 1.731 0.000 . 2 . . . . 72 LYS HB2 . 6824 1 755 . 1 1 72 72 LYS HB3 H 1 1.658 0.000 . 2 . . . . 72 LYS HB3 . 6824 1 756 . 1 1 72 72 LYS HG2 H 1 1.384 0.000 . 2 . . . . 72 LYS HG2 . 6824 1 757 . 1 1 72 72 LYS HG3 H 1 1.326 0.000 . 2 . . . . 72 LYS HG3 . 6824 1 758 . 1 1 72 72 LYS HD2 H 1 1.648 0.000 . 2 . . . . 72 LYS HD2 . 6824 1 759 . 1 1 72 72 LYS HD3 H 1 1.586 0.000 . 2 . . . . 72 LYS HD3 . 6824 1 760 . 1 1 72 72 LYS HZ1 H 1 2.957 0.000 . 1 . . . . 72 LYS HZ . 6824 1 761 . 1 1 72 72 LYS HZ2 H 1 2.957 0.000 . 1 . . . . 72 LYS HZ . 6824 1 762 . 1 1 72 72 LYS HZ3 H 1 2.957 0.000 . 1 . . . . 72 LYS HZ . 6824 1 763 . 1 1 72 72 LYS C C 13 172.002 0.000 . 1 . . . . 72 LYS C . 6824 1 764 . 1 1 72 72 LYS CA C 13 56.530 0.000 . 1 . . . . 72 LYS CA . 6824 1 765 . 1 1 72 72 LYS CB C 13 32.922 0.000 . 1 . . . . 72 LYS CB . 6824 1 766 . 1 1 72 72 LYS CG C 13 24.820 0.000 . 1 . . . . 72 LYS CG . 6824 1 767 . 1 1 72 72 LYS CD C 13 29.047 0.000 . 1 . . . . 72 LYS CD . 6824 1 768 . 1 1 72 72 LYS CE C 13 42.186 0.000 . 1 . . . . 72 LYS CE . 6824 1 769 . 1 1 72 72 LYS N N 15 119.570 0.000 . 1 . . . . 72 LYS N . 6824 1 770 . 1 1 73 73 LEU H H 1 7.854 0.000 . 1 . . . . 73 LEU H . 6824 1 771 . 1 1 73 73 LEU HA H 1 4.273 0.000 . 1 . . . . 73 LEU HA . 6824 1 772 . 1 1 73 73 LEU HB2 H 1 1.512 0.000 . 2 . . . . 73 LEU HB2 . 6824 1 773 . 1 1 73 73 LEU HB3 H 1 1.438 0.000 . 2 . . . . 73 LEU HB3 . 6824 1 774 . 1 1 73 73 LEU HG H 1 1.456 0.000 . 1 . . . . 73 LEU HG . 6824 1 775 . 1 1 73 73 LEU HD11 H 1 0.763 0.000 . 2 . . . . 73 LEU HD1 . 6824 1 776 . 1 1 73 73 LEU HD12 H 1 0.763 0.000 . 2 . . . . 73 LEU HD1 . 6824 1 777 . 1 1 73 73 LEU HD13 H 1 0.763 0.000 . 2 . . . . 73 LEU HD1 . 6824 1 778 . 1 1 73 73 LEU HD21 H 1 0.828 0.000 . 2 . . . . 73 LEU HD2 . 6824 1 779 . 1 1 73 73 LEU HD22 H 1 0.828 0.000 . 2 . . . . 73 LEU HD2 . 6824 1 780 . 1 1 73 73 LEU HD23 H 1 0.828 0.000 . 2 . . . . 73 LEU HD2 . 6824 1 781 . 1 1 73 73 LEU C C 13 172.661 0.000 . 1 . . . . 73 LEU C . 6824 1 782 . 1 1 73 73 LEU CA C 13 55.193 0.000 . 1 . . . . 73 LEU CA . 6824 1 783 . 1 1 73 73 LEU CB C 13 42.779 0.000 . 1 . . . . 73 LEU CB . 6824 1 784 . 1 1 73 73 LEU CG C 13 26.887 0.000 . 1 . . . . 73 LEU CG . 6824 1 785 . 1 1 73 73 LEU CD1 C 13 23.632 0.000 . 2 . . . . 73 LEU CD1 . 6824 1 786 . 1 1 73 73 LEU CD2 C 13 24.918 0.000 . 2 . . . . 73 LEU CD2 . 6824 1 787 . 1 1 73 73 LEU N N 15 121.892 0.000 . 1 . . . . 73 LEU N . 6824 1 788 . 1 1 74 74 PHE H H 1 8.016 0.000 . 1 . . . . 74 PHE H . 6824 1 789 . 1 1 74 74 PHE HA H 1 4.627 0.000 . 1 . . . . 74 PHE HA . 6824 1 790 . 1 1 74 74 PHE HB2 H 1 3.095 0.000 . 2 . . . . 74 PHE HB2 . 6824 1 791 . 1 1 74 74 PHE HB3 H 1 2.984 0.000 . 2 . . . . 74 PHE HB3 . 6824 1 792 . 1 1 74 74 PHE HD1 H 1 7.194 0.000 . 1 . . . . 74 PHE HD1 . 6824 1 793 . 1 1 74 74 PHE HE1 H 1 7.304 0.000 . 1 . . . . 74 PHE HE1 . 6824 1 794 . 1 1 74 74 PHE HZ H 1 7.269 0.000 . 1 . . . . 74 PHE HZ . 6824 1 795 . 1 1 74 74 PHE C C 13 172.268 0.000 . 1 . . . . 74 PHE C . 6824 1 796 . 1 1 74 74 PHE CA C 13 57.522 0.000 . 1 . . . . 74 PHE CA . 6824 1 797 . 1 1 74 74 PHE CB C 13 39.564 0.000 . 1 . . . . 74 PHE CB . 6824 1 798 . 1 1 74 74 PHE CD1 C 13 131.930 0.000 . 1 . . . . 74 PHE CD1 . 6824 1 799 . 1 1 74 74 PHE CE1 C 13 131.410 0.000 . 1 . . . . 74 PHE CE1 . 6824 1 800 . 1 1 74 74 PHE CZ C 13 129.820 0.000 . 1 . . . . 74 PHE CZ . 6824 1 801 . 1 1 74 74 PHE N N 15 120.531 0.000 . 1 . . . . 74 PHE N . 6824 1 802 . 1 1 75 75 ILE H H 1 7.862 0.000 . 1 . . . . 75 ILE H . 6824 1 803 . 1 1 75 75 ILE HA H 1 4.123 0.000 . 1 . . . . 75 ILE HA . 6824 1 804 . 1 1 75 75 ILE HB H 1 1.773 0.000 . 1 . . . . 75 ILE HB . 6824 1 805 . 1 1 75 75 ILE HG12 H 1 1.385 0.000 . 2 . . . . 75 ILE HG12 . 6824 1 806 . 1 1 75 75 ILE HG13 H 1 1.101 0.000 . 2 . . . . 75 ILE HG13 . 6824 1 807 . 1 1 75 75 ILE HG21 H 1 0.833 0.0 . 1 . . . . 75 ILE HG2 . 6824 1 808 . 1 1 75 75 ILE HG22 H 1 0.833 0.0 . 1 . . . . 75 ILE HG2 . 6824 1 809 . 1 1 75 75 ILE HG23 H 1 0.833 0.0 . 1 . . . . 75 ILE HG2 . 6824 1 810 . 1 1 75 75 ILE HD11 H 1 0.809 0.000 . 1 . . . . 75 ILE HD1 . 6824 1 811 . 1 1 75 75 ILE HD12 H 1 0.809 0.000 . 1 . . . . 75 ILE HD1 . 6824 1 812 . 1 1 75 75 ILE HD13 H 1 0.809 0.000 . 1 . . . . 75 ILE HD1 . 6824 1 813 . 1 1 75 75 ILE C C 13 173.646 0.000 . 1 . . . . 75 ILE C . 6824 1 814 . 1 1 75 75 ILE CA C 13 60.933 0.000 . 1 . . . . 75 ILE CA . 6824 1 815 . 1 1 75 75 ILE CB C 13 39.177 0.000 . 1 . . . . 75 ILE CB . 6824 1 816 . 1 1 75 75 ILE CG1 C 13 27.204 0.000 . 1 . . . . 75 ILE CG1 . 6824 1 817 . 1 1 75 75 ILE CG2 C 13 17.472 0.000 . 1 . . . . 75 ILE CG2 . 6824 1 818 . 1 1 75 75 ILE CD1 C 13 12.837 0.000 . 1 . . . . 75 ILE CD1 . 6824 1 819 . 1 1 75 75 ILE N N 15 122.275 0.000 . 1 . . . . 75 ILE N . 6824 1 820 . 1 1 76 76 ARG H H 1 8.244 0.000 . 1 . . . . 76 ARG H . 6824 1 821 . 1 1 76 76 ARG HA H 1 4.288 0.000 . 1 . . . . 76 ARG HA . 6824 1 822 . 1 1 76 76 ARG HB2 H 1 1.876 0.000 . 2 . . . . 76 ARG HB2 . 6824 1 823 . 1 1 76 76 ARG HB3 H 1 1.741 0.000 . 2 . . . . 76 ARG HB3 . 6824 1 824 . 1 1 76 76 ARG HG2 H 1 1.628 0.000 . 2 . . . . 76 ARG HG2 . 6824 1 825 . 1 1 76 76 ARG HG3 H 1 1.598 0.000 . 2 . . . . 76 ARG HG3 . 6824 1 826 . 1 1 76 76 ARG HD2 H 1 3.204 0.000 . 1 . . . . 76 ARG HD2 . 6824 1 827 . 1 1 76 76 ARG C C 13 173.175 0.000 . 1 . . . . 76 ARG C . 6824 1 828 . 1 1 76 76 ARG CA C 13 56.184 0.000 . 1 . . . . 76 ARG CA . 6824 1 829 . 1 1 76 76 ARG CB C 13 30.880 0.000 . 1 . . . . 76 ARG CB . 6824 1 830 . 1 1 76 76 ARG CG C 13 27.331 0.000 . 1 . . . . 76 ARG CG . 6824 1 831 . 1 1 76 76 ARG CD C 13 43.394 0.000 . 1 . . . . 76 ARG CD . 6824 1 832 . 1 1 76 76 ARG N N 15 124.492 0.000 . 1 . . . . 76 ARG N . 6824 1 833 . 1 1 77 77 GLN H H 1 8.420 0.000 . 1 . . . . 77 GLN H . 6824 1 834 . 1 1 77 77 GLN HA H 1 4.231 0.000 . 1 . . . . 77 GLN HA . 6824 1 835 . 1 1 77 77 GLN HB2 H 1 2.063 0.000 . 2 . . . . 77 GLN HB2 . 6824 1 836 . 1 1 77 77 GLN HB3 H 1 1.965 0.000 . 2 . . . . 77 GLN HB3 . 6824 1 837 . 1 1 77 77 GLN HG2 H 1 2.336 0.000 . 1 . . . . 77 GLN HG2 . 6824 1 838 . 1 1 77 77 GLN C C 13 172.603 0.000 . 1 . . . . 77 GLN C . 6824 1 839 . 1 1 77 77 GLN CA C 13 56.746 0.000 . 1 . . . . 77 GLN CA . 6824 1 840 . 1 1 77 77 GLN CB C 13 29.386 0.000 . 1 . . . . 77 GLN CB . 6824 1 841 . 1 1 77 77 GLN CG C 13 33.807 0.000 . 1 . . . . 77 GLN CG . 6824 1 842 . 1 1 77 77 GLN N N 15 122.225 0.000 . 1 . . . . 77 GLN N . 6824 1 843 . 1 1 78 78 GLU H H 1 8.593 0.000 . 1 . . . . 78 GLU H . 6824 1 844 . 1 1 78 78 GLU HA H 1 4.242 0.000 . 1 . . . . 78 GLU HA . 6824 1 845 . 1 1 78 78 GLU HB2 H 1 2.047 0.000 . 2 . . . . 78 GLU HB2 . 6824 1 846 . 1 1 78 78 GLU HB3 H 1 1.924 0.000 . 2 . . . . 78 GLU HB3 . 6824 1 847 . 1 1 78 78 GLU HG2 H 1 2.247 0.000 . 1 . . . . 78 GLU HG2 . 6824 1 848 . 1 1 78 78 GLU C C 13 172.704 0.000 . 1 . . . . 78 GLU C . 6824 1 849 . 1 1 78 78 GLU CA C 13 57.282 0.000 . 1 . . . . 78 GLU CA . 6824 1 850 . 1 1 78 78 GLU CB C 13 30.153 0.000 . 1 . . . . 78 GLU CB . 6824 1 851 . 1 1 78 78 GLU CG C 13 36.220 0.000 . 1 . . . . 78 GLU CG . 6824 1 852 . 1 1 78 78 GLU N N 15 120.918 0.000 . 1 . . . . 78 GLU N . 6824 1 853 . 1 1 79 79 GLU H H 1 8.213 0.000 . 1 . . . . 79 GLU H . 6824 1 854 . 1 1 79 79 GLU HA H 1 4.289 0.000 . 1 . . . . 79 GLU HA . 6824 1 855 . 1 1 79 79 GLU HB2 H 1 2.070 0.000 . 2 . . . . 79 GLU HB2 . 6824 1 856 . 1 1 79 79 GLU HB3 H 1 1.957 0.000 . 2 . . . . 79 GLU HB3 . 6824 1 857 . 1 1 79 79 GLU HG2 H 1 2.236 0.000 . 1 . . . . 79 GLU HG2 . 6824 1 858 . 1 1 79 79 GLU C C 13 172.257 0.000 . 1 . . . . 79 GLU C . 6824 1 859 . 1 1 79 79 GLU CA C 13 56.833 0.000 . 1 . . . . 79 GLU CA . 6824 1 860 . 1 1 79 79 GLU CB C 13 30.422 0.000 . 1 . . . . 79 GLU CB . 6824 1 861 . 1 1 79 79 GLU CG C 13 36.347 0.000 . 1 . . . . 79 GLU CG . 6824 1 862 . 1 1 79 79 GLU N N 15 121.010 0.000 . 1 . . . . 79 GLU N . 6824 1 863 . 1 1 80 80 VAL H H 1 7.939 0.000 . 1 . . . . 80 VAL H . 6824 1 864 . 1 1 80 80 VAL HA H 1 4.052 0.000 . 1 . . . . 80 VAL HA . 6824 1 865 . 1 1 80 80 VAL HB H 1 2.054 0.000 . 1 . . . . 80 VAL HB . 6824 1 866 . 1 1 80 80 VAL HG11 H 1 0.894 0.0 . 1 . . . . 80 VAL HG1 . 6824 1 867 . 1 1 80 80 VAL HG12 H 1 0.894 0.0 . 1 . . . . 80 VAL HG1 . 6824 1 868 . 1 1 80 80 VAL HG13 H 1 0.894 0.0 . 1 . . . . 80 VAL HG1 . 6824 1 869 . 1 1 80 80 VAL HG21 H 1 0.894 0.0 . 1 . . . . 80 VAL HG2 . 6824 1 870 . 1 1 80 80 VAL HG22 H 1 0.894 0.0 . 1 . . . . 80 VAL HG2 . 6824 1 871 . 1 1 80 80 VAL HG23 H 1 0.894 0.0 . 1 . . . . 80 VAL HG2 . 6824 1 872 . 1 1 80 80 VAL C C 13 172.246 0.000 . 1 . . . . 80 VAL C . 6824 1 873 . 1 1 80 80 VAL CA C 13 62.682 0.000 . 1 . . . . 80 VAL CA . 6824 1 874 . 1 1 80 80 VAL CB C 13 32.820 0.000 . 1 . . . . 80 VAL CB . 6824 1 875 . 1 1 80 80 VAL CG1 C 13 20.722 0.000 . 1 . . . . 80 VAL CG1 . 6824 1 876 . 1 1 80 80 VAL N N 15 120.495 0.000 . 1 . . . . 80 VAL N . 6824 1 877 . 1 1 81 81 GLN H H 1 8.283 0.000 . 1 . . . . 81 GLN H . 6824 1 878 . 1 1 81 81 GLN HA H 1 4.319 0.000 . 1 . . . . 81 GLN HA . 6824 1 879 . 1 1 81 81 GLN HB2 H 1 2.075 0.000 . 2 . . . . 81 GLN HB2 . 6824 1 880 . 1 1 81 81 GLN HB3 H 1 1.974 0.000 . 2 . . . . 81 GLN HB3 . 6824 1 881 . 1 1 81 81 GLN HG2 H 1 2.337 0.000 . 1 . . . . 81 GLN HG2 . 6824 1 882 . 1 1 81 81 GLN C C 13 172.614 0.000 . 1 . . . . 81 GLN C . 6824 1 883 . 1 1 81 81 GLN CA C 13 56.126 0.000 . 1 . . . . 81 GLN CA . 6824 1 884 . 1 1 81 81 GLN CB C 13 29.418 0.000 . 1 . . . . 81 GLN CB . 6824 1 885 . 1 1 81 81 GLN CG C 13 33.807 0.000 . 1 . . . . 81 GLN CG . 6824 1 886 . 1 1 81 81 GLN N N 15 123.405 0.000 . 1 . . . . 81 GLN N . 6824 1 887 . 1 1 82 82 GLN H H 1 8.246 0.000 . 1 . . . . 82 GLN H . 6824 1 888 . 1 1 82 82 GLN HA H 1 4.259 0.000 . 1 . . . . 82 GLN HA . 6824 1 889 . 1 1 82 82 GLN HB2 H 1 2.032 0.000 . 2 . . . . 82 GLN HB2 . 6824 1 890 . 1 1 82 82 GLN HB3 H 1 1.955 0.000 . 2 . . . . 82 GLN HB3 . 6824 1 891 . 1 1 82 82 GLN HG2 H 1 2.329 0.000 . 1 . . . . 82 GLN HG2 . 6824 1 892 . 1 1 82 82 GLN C C 13 172.849 0.000 . 1 . . . . 82 GLN C . 6824 1 893 . 1 1 82 82 GLN CA C 13 56.340 0.000 . 1 . . . . 82 GLN CA . 6824 1 894 . 1 1 82 82 GLN CB C 13 29.681 0.000 . 1 . . . . 82 GLN CB . 6824 1 895 . 1 1 82 82 GLN N N 15 121.239 0.000 . 1 . . . . 82 GLN N . 6824 1 896 . 1 1 83 83 GLU H H 1 8.365 0.000 . 1 . . . . 83 GLU H . 6824 1 897 . 1 1 83 83 GLU HA H 1 4.229 0.000 . 1 . . . . 83 GLU HA . 6824 1 898 . 1 1 83 83 GLU HB2 H 1 1.943 0.000 . 2 . . . . 83 GLU HB2 . 6824 1 899 . 1 1 83 83 GLU HB3 H 1 1.896 0.000 . 2 . . . . 83 GLU HB3 . 6824 1 900 . 1 1 83 83 GLU HG2 H 1 2.212 0.000 . 1 . . . . 83 GLU HG2 . 6824 1 901 . 1 1 83 83 GLU C C 13 172.801 0.000 . 1 . . . . 83 GLU C . 6824 1 902 . 1 1 83 83 GLU CA C 13 56.840 0.000 . 1 . . . . 83 GLU CA . 6824 1 903 . 1 1 83 83 GLU CB C 13 30.114 0.000 . 1 . . . . 83 GLU CB . 6824 1 904 . 1 1 83 83 GLU CG C 13 36.220 0.000 . 1 . . . . 83 GLU CG . 6824 1 905 . 1 1 83 83 GLU N N 15 121.572 0.000 . 1 . . . . 83 GLU N . 6824 1 906 . 1 1 84 84 LEU H H 1 8.020 0.000 . 1 . . . . 84 LEU H . 6824 1 907 . 1 1 84 84 LEU HA H 1 4.219 0.000 . 1 . . . . 84 LEU HA . 6824 1 908 . 1 1 84 84 LEU HB2 H 1 1.464 0.000 . 2 . . . . 84 LEU HB2 . 6824 1 909 . 1 1 84 84 LEU HB3 H 1 1.356 0.000 . 2 . . . . 84 LEU HB3 . 6824 1 910 . 1 1 84 84 LEU HG H 1 1.895 0.000 . 1 . . . . 84 LEU HG . 6824 1 911 . 1 1 84 84 LEU HD11 H 1 0.867 0.000 . 2 . . . . 84 LEU HD1 . 6824 1 912 . 1 1 84 84 LEU HD12 H 1 0.867 0.000 . 2 . . . . 84 LEU HD1 . 6824 1 913 . 1 1 84 84 LEU HD13 H 1 0.867 0.000 . 2 . . . . 84 LEU HD1 . 6824 1 914 . 1 1 84 84 LEU HD21 H 1 0.762 0.000 . 2 . . . . 84 LEU HD2 . 6824 1 915 . 1 1 84 84 LEU HD22 H 1 0.762 0.000 . 2 . . . . 84 LEU HD2 . 6824 1 916 . 1 1 84 84 LEU HD23 H 1 0.762 0.000 . 2 . . . . 84 LEU HD2 . 6824 1 917 . 1 1 84 84 LEU C C 13 172.514 0.000 . 1 . . . . 84 LEU C . 6824 1 918 . 1 1 84 84 LEU CA C 13 55.492 0.000 . 1 . . . . 84 LEU CA . 6824 1 919 . 1 1 84 84 LEU CB C 13 42.580 0.000 . 1 . . . . 84 LEU CB . 6824 1 920 . 1 1 84 84 LEU CD1 C 13 21.363 0.000 . 2 . . . . 84 LEU CD1 . 6824 1 921 . 1 1 84 84 LEU CD2 C 13 21.045 0.000 . 2 . . . . 84 LEU CD2 . 6824 1 922 . 1 1 84 84 LEU N N 15 122.274 0.000 . 1 . . . . 84 LEU N . 6824 1 923 . 1 1 85 85 TYR H H 1 7.908 0.000 . 1 . . . . 85 TYR H . 6824 1 924 . 1 1 85 85 TYR HA H 1 4.616 0.000 . 1 . . . . 85 TYR HA . 6824 1 925 . 1 1 85 85 TYR HB2 H 1 3.090 0.000 . 2 . . . . 85 TYR HB2 . 6824 1 926 . 1 1 85 85 TYR HB3 H 1 2.899 0.000 . 2 . . . . 85 TYR HB3 . 6824 1 927 . 1 1 85 85 TYR HD1 H 1 7.079 0.000 . 1 . . . . 85 TYR HD1 . 6824 1 928 . 1 1 85 85 TYR HE1 H 1 6.776 0.000 . 1 . . . . 85 TYR HE1 . 6824 1 929 . 1 1 85 85 TYR C C 13 171.882 0.000 . 1 . . . . 85 TYR C . 6824 1 930 . 1 1 85 85 TYR CA C 13 57.582 0.000 . 1 . . . . 85 TYR CA . 6824 1 931 . 1 1 85 85 TYR CB C 13 38.904 0.000 . 1 . . . . 85 TYR CB . 6824 1 932 . 1 1 85 85 TYR CD1 C 13 133.260 0.000 . 1 . . . . 85 TYR CD1 . 6824 1 933 . 1 1 85 85 TYR CE1 C 13 118.302 0.000 . 1 . . . . 85 TYR CE1 . 6824 1 934 . 1 1 85 85 TYR N N 15 119.482 0.000 . 1 . . . . 85 TYR N . 6824 1 935 . 1 1 86 86 SER H H 1 8.022 0.000 . 1 . . . . 86 SER H . 6824 1 936 . 1 1 86 86 SER HA H 1 4.422 0.000 . 1 . . . . 86 SER HA . 6824 1 937 . 1 1 86 86 SER HB2 H 1 3.808 0.000 . 1 . . . . 86 SER HB2 . 6824 1 938 . 1 1 86 86 SER C C 13 173.161 0.000 . 1 . . . . 86 SER C . 6824 1 939 . 1 1 86 86 SER CA C 13 58.282 0.000 . 1 . . . . 86 SER CA . 6824 1 940 . 1 1 86 86 SER CB C 13 64.102 0.000 . 1 . . . . 86 SER CB . 6824 1 941 . 1 1 86 86 SER N N 15 117.213 0.000 . 1 . . . . 86 SER N . 6824 1 942 . 1 1 87 87 ARG H H 1 7.795 0.000 . 1 . . . . 87 ARG H . 6824 1 943 . 1 1 87 87 ARG HA H 1 4.168 0.000 . 1 . . . . 87 ARG HA . 6824 1 944 . 1 1 87 87 ARG HB2 H 1 1.834 0.000 . 2 . . . . 87 ARG HB2 . 6824 1 945 . 1 1 87 87 ARG HB3 H 1 1.692 0.000 . 2 . . . . 87 ARG HB3 . 6824 1 946 . 1 1 87 87 ARG HG2 H 1 1.568 0.000 . 1 . . . . 87 ARG HG2 . 6824 1 947 . 1 1 87 87 ARG HD2 H 1 3.166 0.000 . 1 . . . . 87 ARG HD2 . 6824 1 948 . 1 1 87 87 ARG C C 13 175.489 0.000 . 1 . . . . 87 ARG C . 6824 1 949 . 1 1 87 87 ARG CA C 13 57.577 0.000 . 1 . . . . 87 ARG CA . 6824 1 950 . 1 1 87 87 ARG CB C 13 31.689 0.000 . 1 . . . . 87 ARG CB . 6824 1 951 . 1 1 87 87 ARG CG C 13 27.137 0.000 . 1 . . . . 87 ARG CG . 6824 1 952 . 1 1 87 87 ARG CD C 13 43.394 0.000 . 1 . . . . 87 ARG CD . 6824 1 953 . 1 1 87 87 ARG N N 15 127.755 0.000 . 1 . . . . 87 ARG N . 6824 1 stop_ save_