data_6687 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6687 _Entry.Title ; Solution structure of the N-terminal domain (M1-S98) of human centrin 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-13 _Entry.Accession_date 2005-06-13 _Entry.Last_release_date 2006-04-17 _Entry.Original_release_date 2006-04-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 A. Yang . . . 6687 2 S. Miron . . . 6687 3 P. Duchambon . . . 6687 4 L. Assairi . . . 6687 5 Y. Blouquit . . . 6687 6 C. Craescu . T. . 6687 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6687 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 80 6687 '1H chemical shifts' 558 6687 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-17 2005-06-13 original author . 6687 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6687 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16411764 _Citation.Full_citation . _Citation.Title ; The N-terminal domain of human centrin 2 has a closed structure, binds calcium with a very low affinity, and plays a role in the protein self-assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _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 880 _Citation.Page_last 889 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Yang . . . 6687 1 2 S. Miron . . . 6687 1 3 P. Duchambon . . . 6687 1 4 L. Assairi . . . 6687 1 5 Y. Blouquit . . . 6687 1 6 C. Craescu . T. . 6687 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ca2+ binding' 6687 1 'EF-hand domains' 6687 1 'human centrins' 6687 1 self-associations 6687 1 'solution structure' 6687 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_N-HsCen2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_N-HsCen2 _Assembly.Entry_ID 6687 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of human centrin 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6687 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-terminal domain of human centrin 2' 1 $N-HsCen2 . . . native . . . . . 6687 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1ZMZ . . . . . . 6687 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID N-HsCen2 abbreviation 6687 1 'N-terminal domain of human centrin 2' system 6687 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'plays a role in the centriole duplication' 6687 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-HsCen2 _Entity.Sf_category entity _Entity.Sf_framecode N-HsCen2 _Entity.Entry_ID 6687 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human centrin 2' _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 ; MASNFKKANMASSSQRKRMS PKPELTEEQKQEIREAFDLF DADGTGTIDVKELKVAMRAL GFEPKKEEIKKMISEIDKEG TGKMNFGDFLTVMTQKMS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11111.8 _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 1ZMZ . "Solution Structure Of The N-Terminal Domain (M1-S98) Of Human Centrin 2" . . . . . 100.00 98 100.00 100.00 3.24e-62 . . . . 6687 1 2 no REF XP_004871114 . "PREDICTED: centrin-2 isoform X1 [Heterocephalus glaber]" . . . . . 100.00 187 96.94 98.98 3.50e-59 . . . . 6687 1 3 no REF XP_004871115 . "PREDICTED: centrin-2 isoform X2 [Heterocephalus glaber]" . . . . . 90.82 178 97.75 98.88 3.15e-53 . . . . 6687 1 4 no REF XP_004871116 . "PREDICTED: centrin-2 isoform X3 [Heterocephalus glaber]" . . . . . 90.82 178 97.75 98.88 3.15e-53 . . . . 6687 1 5 no REF XP_004871117 . "PREDICTED: centrin-2 isoform X4 [Heterocephalus glaber]" . . . . . 90.82 178 97.75 98.88 3.15e-53 . . . . 6687 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Human centrin 2' common 6687 1 N-HsCen2 abbreviation 6687 1 'N terminal domain of human centrin 2' variant 6687 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 . MET . 6687 1 2 . ALA . 6687 1 3 . SER . 6687 1 4 . ASN . 6687 1 5 . PHE . 6687 1 6 . LYS . 6687 1 7 . LYS . 6687 1 8 . ALA . 6687 1 9 . ASN . 6687 1 10 . MET . 6687 1 11 . ALA . 6687 1 12 . SER . 6687 1 13 . SER . 6687 1 14 . SER . 6687 1 15 . GLN . 6687 1 16 . ARG . 6687 1 17 . LYS . 6687 1 18 . ARG . 6687 1 19 . MET . 6687 1 20 . SER . 6687 1 21 . PRO . 6687 1 22 . LYS . 6687 1 23 . PRO . 6687 1 24 . GLU . 6687 1 25 . LEU . 6687 1 26 . THR . 6687 1 27 . GLU . 6687 1 28 . GLU . 6687 1 29 . GLN . 6687 1 30 . LYS . 6687 1 31 . GLN . 6687 1 32 . GLU . 6687 1 33 . ILE . 6687 1 34 . ARG . 6687 1 35 . GLU . 6687 1 36 . ALA . 6687 1 37 . PHE . 6687 1 38 . ASP . 6687 1 39 . LEU . 6687 1 40 . PHE . 6687 1 41 . ASP . 6687 1 42 . ALA . 6687 1 43 . ASP . 6687 1 44 . GLY . 6687 1 45 . THR . 6687 1 46 . GLY . 6687 1 47 . THR . 6687 1 48 . ILE . 6687 1 49 . ASP . 6687 1 50 . VAL . 6687 1 51 . LYS . 6687 1 52 . GLU . 6687 1 53 . LEU . 6687 1 54 . LYS . 6687 1 55 . VAL . 6687 1 56 . ALA . 6687 1 57 . MET . 6687 1 58 . ARG . 6687 1 59 . ALA . 6687 1 60 . LEU . 6687 1 61 . GLY . 6687 1 62 . PHE . 6687 1 63 . GLU . 6687 1 64 . PRO . 6687 1 65 . LYS . 6687 1 66 . LYS . 6687 1 67 . GLU . 6687 1 68 . GLU . 6687 1 69 . ILE . 6687 1 70 . LYS . 6687 1 71 . LYS . 6687 1 72 . MET . 6687 1 73 . ILE . 6687 1 74 . SER . 6687 1 75 . GLU . 6687 1 76 . ILE . 6687 1 77 . ASP . 6687 1 78 . LYS . 6687 1 79 . GLU . 6687 1 80 . GLY . 6687 1 81 . THR . 6687 1 82 . GLY . 6687 1 83 . LYS . 6687 1 84 . MET . 6687 1 85 . ASN . 6687 1 86 . PHE . 6687 1 87 . GLY . 6687 1 88 . ASP . 6687 1 89 . PHE . 6687 1 90 . LEU . 6687 1 91 . THR . 6687 1 92 . VAL . 6687 1 93 . MET . 6687 1 94 . THR . 6687 1 95 . GLN . 6687 1 96 . LYS . 6687 1 97 . MET . 6687 1 98 . SER . 6687 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6687 1 . ALA 2 2 6687 1 . SER 3 3 6687 1 . ASN 4 4 6687 1 . PHE 5 5 6687 1 . LYS 6 6 6687 1 . LYS 7 7 6687 1 . ALA 8 8 6687 1 . ASN 9 9 6687 1 . MET 10 10 6687 1 . ALA 11 11 6687 1 . SER 12 12 6687 1 . SER 13 13 6687 1 . SER 14 14 6687 1 . GLN 15 15 6687 1 . ARG 16 16 6687 1 . LYS 17 17 6687 1 . ARG 18 18 6687 1 . MET 19 19 6687 1 . SER 20 20 6687 1 . PRO 21 21 6687 1 . LYS 22 22 6687 1 . PRO 23 23 6687 1 . GLU 24 24 6687 1 . LEU 25 25 6687 1 . THR 26 26 6687 1 . GLU 27 27 6687 1 . GLU 28 28 6687 1 . GLN 29 29 6687 1 . LYS 30 30 6687 1 . GLN 31 31 6687 1 . GLU 32 32 6687 1 . ILE 33 33 6687 1 . ARG 34 34 6687 1 . GLU 35 35 6687 1 . ALA 36 36 6687 1 . PHE 37 37 6687 1 . ASP 38 38 6687 1 . LEU 39 39 6687 1 . PHE 40 40 6687 1 . ASP 41 41 6687 1 . ALA 42 42 6687 1 . ASP 43 43 6687 1 . GLY 44 44 6687 1 . THR 45 45 6687 1 . GLY 46 46 6687 1 . THR 47 47 6687 1 . ILE 48 48 6687 1 . ASP 49 49 6687 1 . VAL 50 50 6687 1 . LYS 51 51 6687 1 . GLU 52 52 6687 1 . LEU 53 53 6687 1 . LYS 54 54 6687 1 . VAL 55 55 6687 1 . ALA 56 56 6687 1 . MET 57 57 6687 1 . ARG 58 58 6687 1 . ALA 59 59 6687 1 . LEU 60 60 6687 1 . GLY 61 61 6687 1 . PHE 62 62 6687 1 . GLU 63 63 6687 1 . PRO 64 64 6687 1 . LYS 65 65 6687 1 . LYS 66 66 6687 1 . GLU 67 67 6687 1 . GLU 68 68 6687 1 . ILE 69 69 6687 1 . LYS 70 70 6687 1 . LYS 71 71 6687 1 . MET 72 72 6687 1 . ILE 73 73 6687 1 . SER 74 74 6687 1 . GLU 75 75 6687 1 . ILE 76 76 6687 1 . ASP 77 77 6687 1 . LYS 78 78 6687 1 . GLU 79 79 6687 1 . GLY 80 80 6687 1 . THR 81 81 6687 1 . GLY 82 82 6687 1 . LYS 83 83 6687 1 . MET 84 84 6687 1 . ASN 85 85 6687 1 . PHE 86 86 6687 1 . GLY 87 87 6687 1 . ASP 88 88 6687 1 . PHE 89 89 6687 1 . LEU 90 90 6687 1 . THR 91 91 6687 1 . VAL 92 92 6687 1 . MET 93 93 6687 1 . THR 94 94 6687 1 . GLN 95 95 6687 1 . LYS 96 96 6687 1 . MET 97 97 6687 1 . SER 98 98 6687 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 6687 _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 $N-HsCen2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6687 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 6687 _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 $N-HsCen2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6687 _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 'Human centrin 2' . . . 1 $N-HsCen2 . . . 0.7 1.5 mM . . . . 6687 1 2 'Tris buffer' . . . . . . . 20 . . mM . . . . 6687 1 3 NaCl . . . . . . . 100 . . mM . . . . 6687 1 4 H2O . . . . . . . 93 . . % . . . . 6687 1 5 D2O . . . . . . . 7 . . % . . . . 6687 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6687 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human centrin 2' [U-15N] . . 1 $N-HsCen2 . . 1 . . mM . . . . 6687 2 2 'Tris buffer' . . . . . . . 20 . . mM . . . . 6687 2 3 NaCl . . . . . . . 100 . . mM . . . . 6687 2 4 H2O . . . . . . . 93 . . % . . . . 6687 2 5 D2O . . . . . . . 7 . . % . . . . 6687 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6687 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human centrin 2' . . . 1 $N-HsCen2 . . 1 . . mM . . . . 6687 3 2 'Tris buffer' . . . . . . . 20 . . mM . . . . 6687 3 3 NaCl . . . . . . . 100 . . mM . . . . 6687 3 4 D2O . . . . . . . 100 . . % . . . . 6687 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6687 _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' 100 . mM 6687 1 pH 6.5 0.2 pH 6687 1 pressure 1 . atm 6687 1 temperature 308 1 K 6687 1 stop_ save_ ############################ # Computer software used # ############################ save_DISCOVER _Software.Sf_category software _Software.Sf_framecode DISCOVER _Software.Entry_ID 6687 _Software.ID 1 _Software.Name DISCOVER _Software.Version 2.98 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6687 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6687 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6687 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian UNITY . 500 . . . 6687 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6687 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 3 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 4 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 5 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 6 '2D 15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 7 '2D DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 8 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 9 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6687 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name DQF-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_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 15N NOESY-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_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name TOCSY-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_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 15N 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_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D DQF-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_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 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_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6687 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6687 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6687 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6687 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6687 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6687 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 5 5 PHE HA H 1 4.62 0.01 . 1 . . . . . . . . 6687 1 2 . 1 1 5 5 PHE HB2 H 1 3.18 0.01 . 2 . . . . . . . . 6687 1 3 . 1 1 5 5 PHE HB3 H 1 3.06 0.01 . 2 . . . . . . . . 6687 1 4 . 1 1 5 5 PHE HD1 H 1 7.28 0.01 . 1 . . . . . . . . 6687 1 5 . 1 1 5 5 PHE HD2 H 1 7.28 0.01 . 1 . . . . . . . . 6687 1 6 . 1 1 5 5 PHE HE1 H 1 7.37 0.01 . 1 . . . . . . . . 6687 1 7 . 1 1 5 5 PHE HE2 H 1 7.37 0.01 . 1 . . . . . . . . 6687 1 8 . 1 1 18 18 ARG H H 1 8.15 0.01 . 1 . . . . . . . . 6687 1 9 . 1 1 18 18 ARG HA H 1 3.81 0.01 . 1 . . . . . . . . 6687 1 10 . 1 1 18 18 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 6687 1 11 . 1 1 18 18 ARG HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6687 1 12 . 1 1 18 18 ARG HG2 H 1 1.48 0.01 . 1 . . . . . . . . 6687 1 13 . 1 1 18 18 ARG HG3 H 1 1.48 0.01 . 1 . . . . . . . . 6687 1 14 . 1 1 18 18 ARG N N 15 122.6 0.1 . 1 . . . . . . . . 6687 1 15 . 1 1 19 19 MET H H 1 7.91 0.01 . 1 . . . . . . . . 6687 1 16 . 1 1 19 19 MET HA H 1 4.32 0.01 . 1 . . . . . . . . 6687 1 17 . 1 1 19 19 MET HB2 H 1 2.12 0.01 . 1 . . . . . . . . 6687 1 18 . 1 1 19 19 MET HB3 H 1 2.12 0.01 . 1 . . . . . . . . 6687 1 19 . 1 1 19 19 MET HG2 H 1 2.47 0.01 . 2 . . . . . . . . 6687 1 20 . 1 1 19 19 MET HG3 H 1 2.39 0.01 . 2 . . . . . . . . 6687 1 21 . 1 1 19 19 MET N N 15 116.5 0.1 . 1 . . . . . . . . 6687 1 22 . 1 1 20 20 SER H H 1 8.41 0.01 . 1 . . . . . . . . 6687 1 23 . 1 1 20 20 SER HA H 1 4.79 0.01 . 1 . . . . . . . . 6687 1 24 . 1 1 20 20 SER HB2 H 1 3.88 0.01 . 1 . . . . . . . . 6687 1 25 . 1 1 20 20 SER HB3 H 1 3.88 0.01 . 1 . . . . . . . . 6687 1 26 . 1 1 20 20 SER N N 15 123.5 0.1 . 1 . . . . . . . . 6687 1 27 . 1 1 21 21 PRO HA H 1 4.50 0.01 . 1 . . . . . . . . 6687 1 28 . 1 1 21 21 PRO HB2 H 1 2.31 0.01 . 2 . . . . . . . . 6687 1 29 . 1 1 21 21 PRO HB3 H 1 1.94 0.01 . 2 . . . . . . . . 6687 1 30 . 1 1 21 21 PRO HG2 H 1 2.04 0.01 . 1 . . . . . . . . 6687 1 31 . 1 1 21 21 PRO HG3 H 1 2.04 0.01 . 1 . . . . . . . . 6687 1 32 . 1 1 21 21 PRO HD2 H 1 3.82 0.01 . 2 . . . . . . . . 6687 1 33 . 1 1 21 21 PRO HD3 H 1 3.76 0.01 . 2 . . . . . . . . 6687 1 34 . 1 1 22 22 LYS H H 1 8.77 0.01 . 1 . . . . . . . . 6687 1 35 . 1 1 22 22 LYS HA H 1 4.62 0.01 . 1 . . . . . . . . 6687 1 36 . 1 1 22 22 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 6687 1 37 . 1 1 22 22 LYS HB3 H 1 1.78 0.01 . 1 . . . . . . . . 6687 1 38 . 1 1 22 22 LYS HG2 H 1 1.65 0.01 . 1 . . . . . . . . 6687 1 39 . 1 1 22 22 LYS HG3 H 1 1.65 0.01 . 1 . . . . . . . . 6687 1 40 . 1 1 22 22 LYS HD2 H 1 1.79 0.01 . 1 . . . . . . . . 6687 1 41 . 1 1 22 22 LYS HD3 H 1 1.79 0.01 . 1 . . . . . . . . 6687 1 42 . 1 1 22 22 LYS HE2 H 1 3.13 0.01 . 1 . . . . . . . . 6687 1 43 . 1 1 22 22 LYS HE3 H 1 3.13 0.01 . 1 . . . . . . . . 6687 1 44 . 1 1 22 22 LYS N N 15 122.1 0.1 . 1 . . . . . . . . 6687 1 45 . 1 1 23 23 PRO HA H 1 4.44 0.01 . 1 . . . . . . . . 6687 1 46 . 1 1 23 23 PRO HB2 H 1 2.28 0.01 . 2 . . . . . . . . 6687 1 47 . 1 1 23 23 PRO HB3 H 1 1.90 0.01 . 2 . . . . . . . . 6687 1 48 . 1 1 23 23 PRO HG2 H 1 2.02 0.01 . 1 . . . . . . . . 6687 1 49 . 1 1 23 23 PRO HG3 H 1 2.02 0.01 . 1 . . . . . . . . 6687 1 50 . 1 1 23 23 PRO HD2 H 1 3.80 0.01 . 2 . . . . . . . . 6687 1 51 . 1 1 23 23 PRO HD3 H 1 3.66 0.01 . 2 . . . . . . . . 6687 1 52 . 1 1 24 24 GLU H H 1 8.22 0.01 . 1 . . . . . . . . 6687 1 53 . 1 1 24 24 GLU HA H 1 4.40 0.01 . 1 . . . . . . . . 6687 1 54 . 1 1 24 24 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 6687 1 55 . 1 1 24 24 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 6687 1 56 . 1 1 24 24 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 6687 1 57 . 1 1 24 24 GLU HG3 H 1 2.29 0.01 . 1 . . . . . . . . 6687 1 58 . 1 1 24 24 GLU N N 15 121.4 0.1 . 1 . . . . . . . . 6687 1 59 . 1 1 25 25 LEU H H 1 8.35 0.01 . 1 . . . . . . . . 6687 1 60 . 1 1 25 25 LEU HA H 1 4.59 0.01 . 1 . . . . . . . . 6687 1 61 . 1 1 25 25 LEU HB2 H 1 1.60 0.01 . 1 . . . . . . . . 6687 1 62 . 1 1 25 25 LEU HB3 H 1 1.60 0.01 . 1 . . . . . . . . 6687 1 63 . 1 1 25 25 LEU HG H 1 1.73 0.01 . 1 . . . . . . . . 6687 1 64 . 1 1 25 25 LEU HD11 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 65 . 1 1 25 25 LEU HD12 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 66 . 1 1 25 25 LEU HD13 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 67 . 1 1 25 25 LEU HD21 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 68 . 1 1 25 25 LEU HD22 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 69 . 1 1 25 25 LEU HD23 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 70 . 1 1 25 25 LEU N N 15 123.6 0.1 . 1 . . . . . . . . 6687 1 71 . 1 1 26 26 THR H H 1 8.75 0.01 . 1 . . . . . . . . 6687 1 72 . 1 1 26 26 THR HA H 1 4.49 0.01 . 1 . . . . . . . . 6687 1 73 . 1 1 26 26 THR HB H 1 4.84 0.01 . 1 . . . . . . . . 6687 1 74 . 1 1 26 26 THR HG21 H 1 1.40 0.01 . 1 . . . . . . . . 6687 1 75 . 1 1 26 26 THR HG22 H 1 1.40 0.01 . 1 . . . . . . . . 6687 1 76 . 1 1 26 26 THR HG23 H 1 1.40 0.01 . 1 . . . . . . . . 6687 1 77 . 1 1 26 26 THR N N 15 113.9 0.1 . 1 . . . . . . . . 6687 1 78 . 1 1 27 27 GLU H H 1 9.02 0.01 . 1 . . . . . . . . 6687 1 79 . 1 1 27 27 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 6687 1 80 . 1 1 27 27 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 6687 1 81 . 1 1 27 27 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 6687 1 82 . 1 1 27 27 GLU HG2 H 1 2.43 0.01 . 1 . . . . . . . . 6687 1 83 . 1 1 27 27 GLU HG3 H 1 2.43 0.01 . 1 . . . . . . . . 6687 1 84 . 1 1 27 27 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 6687 1 85 . 1 1 28 28 GLU H H 1 8.78 0.01 . 1 . . . . . . . . 6687 1 86 . 1 1 28 28 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 6687 1 87 . 1 1 28 28 GLU HB2 H 1 2.11 0.01 . 1 . . . . . . . . 6687 1 88 . 1 1 28 28 GLU HB3 H 1 2.11 0.01 . 1 . . . . . . . . 6687 1 89 . 1 1 28 28 GLU HG2 H 1 2.33 0.01 . 1 . . . . . . . . 6687 1 90 . 1 1 28 28 GLU HG3 H 1 2.33 0.01 . 1 . . . . . . . . 6687 1 91 . 1 1 28 28 GLU N N 15 119.9 0.1 . 1 . . . . . . . . 6687 1 92 . 1 1 29 29 GLN H H 1 7.85 0.01 . 1 . . . . . . . . 6687 1 93 . 1 1 29 29 GLN HA H 1 4.20 0.01 . 1 . . . . . . . . 6687 1 94 . 1 1 29 29 GLN HB2 H 1 2.46 0.01 . 1 . . . . . . . . 6687 1 95 . 1 1 29 29 GLN HB3 H 1 2.46 0.01 . 1 . . . . . . . . 6687 1 96 . 1 1 29 29 GLN HG2 H 1 2.55 0.01 . 1 . . . . . . . . 6687 1 97 . 1 1 29 29 GLN HG3 H 1 2.55 0.01 . 1 . . . . . . . . 6687 1 98 . 1 1 29 29 GLN HE21 H 1 7.62 0.01 . 2 . . . . . . . . 6687 1 99 . 1 1 29 29 GLN HE22 H 1 6.84 0.01 . 2 . . . . . . . . 6687 1 100 . 1 1 29 29 GLN NE2 N 15 113.2 0.1 . 1 . . . . . . . . 6687 1 101 . 1 1 29 29 GLN N N 15 120.6 0.1 . 1 . . . . . . . . 6687 1 102 . 1 1 30 30 LYS H H 1 8.40 0.01 . 1 . . . . . . . . 6687 1 103 . 1 1 30 30 LYS HA H 1 3.87 0.01 . 1 . . . . . . . . 6687 1 104 . 1 1 30 30 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 6687 1 105 . 1 1 30 30 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 6687 1 106 . 1 1 30 30 LYS HG2 H 1 1.35 0.01 . 1 . . . . . . . . 6687 1 107 . 1 1 30 30 LYS HG3 H 1 1.35 0.01 . 1 . . . . . . . . 6687 1 108 . 1 1 30 30 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 6687 1 109 . 1 1 30 30 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 6687 1 110 . 1 1 30 30 LYS N N 15 119.5 0.1 . 1 . . . . . . . . 6687 1 111 . 1 1 31 31 GLN H H 1 8.15 0.01 . 1 . . . . . . . . 6687 1 112 . 1 1 31 31 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 6687 1 113 . 1 1 31 31 GLN HB2 H 1 2.21 0.01 . 1 . . . . . . . . 6687 1 114 . 1 1 31 31 GLN HB3 H 1 2.21 0.01 . 1 . . . . . . . . 6687 1 115 . 1 1 31 31 GLN HG2 H 1 2.49 0.01 . 1 . . . . . . . . 6687 1 116 . 1 1 31 31 GLN HG3 H 1 2.49 0.01 . 1 . . . . . . . . 6687 1 117 . 1 1 31 31 GLN HE21 H 1 7.81 0.01 . 2 . . . . . . . . 6687 1 118 . 1 1 31 31 GLN HE22 H 1 6.80 0.01 . 2 . . . . . . . . 6687 1 119 . 1 1 31 31 GLN NE2 N 15 112.8 0.1 . 1 . . . . . . . . 6687 1 120 . 1 1 31 31 GLN N N 15 120.2 0.1 . 1 . . . . . . . . 6687 1 121 . 1 1 32 32 GLU H H 1 7.91 0.01 . 1 . . . . . . . . 6687 1 122 . 1 1 32 32 GLU HA H 1 3.88 0.01 . 1 . . . . . . . . 6687 1 123 . 1 1 32 32 GLU HB2 H 1 2.07 0.01 . 1 . . . . . . . . 6687 1 124 . 1 1 32 32 GLU HB3 H 1 2.07 0.01 . 1 . . . . . . . . 6687 1 125 . 1 1 32 32 GLU HG2 H 1 2.36 0.01 . 1 . . . . . . . . 6687 1 126 . 1 1 32 32 GLU HG3 H 1 2.36 0.01 . 1 . . . . . . . . 6687 1 127 . 1 1 32 32 GLU N N 15 122.4 0.1 . 1 . . . . . . . . 6687 1 128 . 1 1 33 33 ILE H H 1 8.09 0.01 . 1 . . . . . . . . 6687 1 129 . 1 1 33 33 ILE HA H 1 4.01 0.01 . 1 . . . . . . . . 6687 1 130 . 1 1 33 33 ILE HB H 1 2.12 0.01 . 1 . . . . . . . . 6687 1 131 . 1 1 33 33 ILE HG21 H 1 1.07 0.01 . 1 . . . . . . . . 6687 1 132 . 1 1 33 33 ILE HG22 H 1 1.07 0.01 . 1 . . . . . . . . 6687 1 133 . 1 1 33 33 ILE HG23 H 1 1.07 0.01 . 1 . . . . . . . . 6687 1 134 . 1 1 33 33 ILE HG12 H 1 2.00 0.01 . 2 . . . . . . . . 6687 1 135 . 1 1 33 33 ILE HG13 H 1 0.94 0.01 . 2 . . . . . . . . 6687 1 136 . 1 1 33 33 ILE HD11 H 1 0.76 0.01 . 1 . . . . . . . . 6687 1 137 . 1 1 33 33 ILE HD12 H 1 0.76 0.01 . 1 . . . . . . . . 6687 1 138 . 1 1 33 33 ILE HD13 H 1 0.76 0.01 . 1 . . . . . . . . 6687 1 139 . 1 1 33 33 ILE N N 15 120.8 0.1 . 1 . . . . . . . . 6687 1 140 . 1 1 34 34 ARG H H 1 8.29 0.01 . 1 . . . . . . . . 6687 1 141 . 1 1 34 34 ARG HA H 1 4.14 0.01 . 1 . . . . . . . . 6687 1 142 . 1 1 34 34 ARG HB2 H 1 2.09 0.01 . 1 . . . . . . . . 6687 1 143 . 1 1 34 34 ARG HB3 H 1 2.09 0.01 . 1 . . . . . . . . 6687 1 144 . 1 1 34 34 ARG HG2 H 1 1.71 0.01 . 1 . . . . . . . . 6687 1 145 . 1 1 34 34 ARG HG3 H 1 1.71 0.01 . 1 . . . . . . . . 6687 1 146 . 1 1 34 34 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 6687 1 147 . 1 1 34 34 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 6687 1 148 . 1 1 34 34 ARG N N 15 122.0 0.1 . 1 . . . . . . . . 6687 1 149 . 1 1 35 35 GLU H H 1 8.40 0.01 . 1 . . . . . . . . 6687 1 150 . 1 1 35 35 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 6687 1 151 . 1 1 35 35 GLU HB2 H 1 2.21 0.01 . 1 . . . . . . . . 6687 1 152 . 1 1 35 35 GLU HB3 H 1 2.21 0.01 . 1 . . . . . . . . 6687 1 153 . 1 1 35 35 GLU HG2 H 1 2.60 0.01 . 1 . . . . . . . . 6687 1 154 . 1 1 35 35 GLU HG3 H 1 2.60 0.01 . 1 . . . . . . . . 6687 1 155 . 1 1 35 35 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 6687 1 156 . 1 1 36 36 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 6687 1 157 . 1 1 36 36 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 6687 1 158 . 1 1 36 36 ALA HB1 H 1 1.78 0.01 . 1 . . . . . . . . 6687 1 159 . 1 1 36 36 ALA HB2 H 1 1.78 0.01 . 1 . . . . . . . . 6687 1 160 . 1 1 36 36 ALA HB3 H 1 1.78 0.01 . 1 . . . . . . . . 6687 1 161 . 1 1 36 36 ALA N N 15 121.6 0.1 . 1 . . . . . . . . 6687 1 162 . 1 1 37 37 PHE H H 1 8.10 0.01 . 1 . . . . . . . . 6687 1 163 . 1 1 37 37 PHE HA H 1 3.69 0.01 . 1 . . . . . . . . 6687 1 164 . 1 1 37 37 PHE HB2 H 1 3.43 0.01 . 2 . . . . . . . . 6687 1 165 . 1 1 37 37 PHE HB3 H 1 3.14 0.01 . 2 . . . . . . . . 6687 1 166 . 1 1 37 37 PHE HD1 H 1 6.78 0.01 . 1 . . . . . . . . 6687 1 167 . 1 1 37 37 PHE HD2 H 1 6.78 0.01 . 1 . . . . . . . . 6687 1 168 . 1 1 37 37 PHE HE1 H 1 7.01 0.01 . 1 . . . . . . . . 6687 1 169 . 1 1 37 37 PHE HE2 H 1 7.01 0.01 . 1 . . . . . . . . 6687 1 170 . 1 1 37 37 PHE HZ H 1 7.24 0.01 . 1 . . . . . . . . 6687 1 171 . 1 1 37 37 PHE N N 15 118.2 0.1 . 1 . . . . . . . . 6687 1 172 . 1 1 38 38 ASP H H 1 8.73 0.01 . 1 . . . . . . . . 6687 1 173 . 1 1 38 38 ASP HA H 1 4.35 0.01 . 1 . . . . . . . . 6687 1 174 . 1 1 38 38 ASP HB2 H 1 2.76 0.01 . 2 . . . . . . . . 6687 1 175 . 1 1 38 38 ASP HB3 H 1 2.68 0.01 . 2 . . . . . . . . 6687 1 176 . 1 1 38 38 ASP N N 15 117.5 0.1 . 1 . . . . . . . . 6687 1 177 . 1 1 39 39 LEU H H 1 7.43 0.01 . 1 . . . . . . . . 6687 1 178 . 1 1 39 39 LEU HA H 1 3.85 0.01 . 1 . . . . . . . . 6687 1 179 . 1 1 39 39 LEU HB2 H 1 1.10 0.01 . 2 . . . . . . . . 6687 1 180 . 1 1 39 39 LEU HB3 H 1 1.01 0.01 . 2 . . . . . . . . 6687 1 181 . 1 1 39 39 LEU HG H 1 1.52 0.01 . 1 . . . . . . . . 6687 1 182 . 1 1 39 39 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 6687 1 183 . 1 1 39 39 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 6687 1 184 . 1 1 39 39 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 6687 1 185 . 1 1 39 39 LEU HD21 H 1 0.71 0.01 . 2 . . . . . . . . 6687 1 186 . 1 1 39 39 LEU HD22 H 1 0.71 0.01 . 2 . . . . . . . . 6687 1 187 . 1 1 39 39 LEU HD23 H 1 0.71 0.01 . 2 . . . . . . . . 6687 1 188 . 1 1 39 39 LEU N N 15 120.7 0.1 . 1 . . . . . . . . 6687 1 189 . 1 1 40 40 PHE H H 1 7.38 0.01 . 1 . . . . . . . . 6687 1 190 . 1 1 40 40 PHE HA H 1 4.38 0.01 . 1 . . . . . . . . 6687 1 191 . 1 1 40 40 PHE HB2 H 1 3.24 0.01 . 2 . . . . . . . . 6687 1 192 . 1 1 40 40 PHE HB3 H 1 2.56 0.01 . 2 . . . . . . . . 6687 1 193 . 1 1 40 40 PHE HD1 H 1 7.38 0.01 . 1 . . . . . . . . 6687 1 194 . 1 1 40 40 PHE HD2 H 1 7.38 0.01 . 1 . . . . . . . . 6687 1 195 . 1 1 40 40 PHE HE1 H 1 7.24 0.01 . 1 . . . . . . . . 6687 1 196 . 1 1 40 40 PHE HE2 H 1 7.24 0.01 . 1 . . . . . . . . 6687 1 197 . 1 1 40 40 PHE HZ H 1 7.05 0.01 . 1 . . . . . . . . 6687 1 198 . 1 1 40 40 PHE N N 15 115.0 0.1 . 1 . . . . . . . . 6687 1 199 . 1 1 41 41 ASP H H 1 7.51 0.01 . 1 . . . . . . . . 6687 1 200 . 1 1 41 41 ASP HA H 1 4.92 0.01 . 1 . . . . . . . . 6687 1 201 . 1 1 41 41 ASP HB2 H 1 2.77 0.01 . 2 . . . . . . . . 6687 1 202 . 1 1 41 41 ASP HB3 H 1 2.14 0.01 . 2 . . . . . . . . 6687 1 203 . 1 1 41 41 ASP N N 15 123.0 0.1 . 1 . . . . . . . . 6687 1 204 . 1 1 42 42 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 6687 1 205 . 1 1 42 42 ALA HA H 1 4.09 0.01 . 1 . . . . . . . . 6687 1 206 . 1 1 42 42 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 6687 1 207 . 1 1 42 42 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 6687 1 208 . 1 1 42 42 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 6687 1 209 . 1 1 42 42 ALA N N 15 127.1 0.1 . 1 . . . . . . . . 6687 1 210 . 1 1 43 43 ASP H H 1 8.50 0.01 . 1 . . . . . . . . 6687 1 211 . 1 1 43 43 ASP HA H 1 4.79 0.01 . 1 . . . . . . . . 6687 1 212 . 1 1 43 43 ASP HB2 H 1 2.80 0.01 . 1 . . . . . . . . 6687 1 213 . 1 1 43 43 ASP HB3 H 1 2.80 0.01 . 1 . . . . . . . . 6687 1 214 . 1 1 43 43 ASP N N 15 115.1 0.1 . 1 . . . . . . . . 6687 1 215 . 1 1 44 44 GLY H H 1 7.99 0.01 . 1 . . . . . . . . 6687 1 216 . 1 1 44 44 GLY HA2 H 1 4.66 0.01 . 1 . . . . . . . . 6687 1 217 . 1 1 44 44 GLY HA3 H 1 3.92 0.01 . 1 . . . . . . . . 6687 1 218 . 1 1 44 44 GLY N N 15 111.5 0.1 . 1 . . . . . . . . 6687 1 219 . 1 1 45 45 THR H H 1 9.22 0.01 . 1 . . . . . . . . 6687 1 220 . 1 1 45 45 THR HA H 1 4.35 0.01 . 1 . . . . . . . . 6687 1 221 . 1 1 45 45 THR HB H 1 4.43 0.01 . 1 . . . . . . . . 6687 1 222 . 1 1 45 45 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 6687 1 223 . 1 1 45 45 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 6687 1 224 . 1 1 45 45 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 6687 1 225 . 1 1 45 45 THR N N 15 113.3 0.1 . 1 . . . . . . . . 6687 1 226 . 1 1 46 46 GLY H H 1 10.63 0.01 . 1 . . . . . . . . 6687 1 227 . 1 1 46 46 GLY HA2 H 1 4.39 0.01 . 1 . . . . . . . . 6687 1 228 . 1 1 46 46 GLY HA3 H 1 3.88 0.01 . 1 . . . . . . . . 6687 1 229 . 1 1 46 46 GLY N N 15 115.9 0.1 . 1 . . . . . . . . 6687 1 230 . 1 1 47 47 THR H H 1 7.74 0.01 . 1 . . . . . . . . 6687 1 231 . 1 1 47 47 THR HA H 1 5.43 0.01 . 1 . . . . . . . . 6687 1 232 . 1 1 47 47 THR HB H 1 3.95 0.01 . 1 . . . . . . . . 6687 1 233 . 1 1 47 47 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 6687 1 234 . 1 1 47 47 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 6687 1 235 . 1 1 47 47 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 6687 1 236 . 1 1 47 47 THR N N 15 111.6 0.1 . 1 . . . . . . . . 6687 1 237 . 1 1 48 48 ILE H H 1 8.51 0.01 . 1 . . . . . . . . 6687 1 238 . 1 1 48 48 ILE HA H 1 4.66 0.01 . 1 . . . . . . . . 6687 1 239 . 1 1 48 48 ILE HB H 1 1.65 0.01 . 1 . . . . . . . . 6687 1 240 . 1 1 48 48 ILE HG21 H 1 0.08 0.01 . 1 . . . . . . . . 6687 1 241 . 1 1 48 48 ILE HG22 H 1 0.08 0.01 . 1 . . . . . . . . 6687 1 242 . 1 1 48 48 ILE HG23 H 1 0.08 0.01 . 1 . . . . . . . . 6687 1 243 . 1 1 48 48 ILE HG12 H 1 1.06 0.01 . 2 . . . . . . . . 6687 1 244 . 1 1 48 48 ILE HG13 H 1 0.71 0.01 . 2 . . . . . . . . 6687 1 245 . 1 1 48 48 ILE HD11 H 1 0.21 0.01 . 1 . . . . . . . . 6687 1 246 . 1 1 48 48 ILE HD12 H 1 0.21 0.01 . 1 . . . . . . . . 6687 1 247 . 1 1 48 48 ILE HD13 H 1 0.21 0.01 . 1 . . . . . . . . 6687 1 248 . 1 1 48 48 ILE N N 15 114.2 0.1 . 1 . . . . . . . . 6687 1 249 . 1 1 49 49 ASP H H 1 8.57 0.01 . 1 . . . . . . . . 6687 1 250 . 1 1 49 49 ASP HA H 1 4.95 0.01 . 1 . . . . . . . . 6687 1 251 . 1 1 49 49 ASP HB2 H 1 2.81 0.01 . 2 . . . . . . . . 6687 1 252 . 1 1 49 49 ASP HB3 H 1 2.61 0.01 . 2 . . . . . . . . 6687 1 253 . 1 1 49 49 ASP N N 15 123.8 0.1 . 1 . . . . . . . . 6687 1 254 . 1 1 50 50 VAL H H 1 8.45 0.01 . 1 . . . . . . . . 6687 1 255 . 1 1 50 50 VAL HA H 1 3.80 0.01 . 1 . . . . . . . . 6687 1 256 . 1 1 50 50 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 6687 1 257 . 1 1 50 50 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . 6687 1 258 . 1 1 50 50 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . 6687 1 259 . 1 1 50 50 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . 6687 1 260 . 1 1 50 50 VAL HG21 H 1 0.92 0.01 . 2 . . . . . . . . 6687 1 261 . 1 1 50 50 VAL HG22 H 1 0.92 0.01 . 2 . . . . . . . . 6687 1 262 . 1 1 50 50 VAL HG23 H 1 0.92 0.01 . 2 . . . . . . . . 6687 1 263 . 1 1 50 50 VAL N N 15 123.3 0.1 . 1 . . . . . . . . 6687 1 264 . 1 1 51 51 LYS H H 1 8.97 0.01 . 1 . . . . . . . . 6687 1 265 . 1 1 51 51 LYS HA H 1 4.16 0.01 . 1 . . . . . . . . 6687 1 266 . 1 1 51 51 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 6687 1 267 . 1 1 51 51 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 6687 1 268 . 1 1 51 51 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 6687 1 269 . 1 1 51 51 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 6687 1 270 . 1 1 51 51 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 6687 1 271 . 1 1 51 51 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 6687 1 272 . 1 1 51 51 LYS N N 15 121.7 0.1 . 1 . . . . . . . . 6687 1 273 . 1 1 52 52 GLU H H 1 8.07 0.01 . 1 . . . . . . . . 6687 1 274 . 1 1 52 52 GLU HA H 1 4.53 0.01 . 1 . . . . . . . . 6687 1 275 . 1 1 52 52 GLU HB2 H 1 1.82 0.01 . 1 . . . . . . . . 6687 1 276 . 1 1 52 52 GLU HB3 H 1 1.82 0.01 . 1 . . . . . . . . 6687 1 277 . 1 1 52 52 GLU HG2 H 1 2.27 0.01 . 1 . . . . . . . . 6687 1 278 . 1 1 52 52 GLU HG3 H 1 2.27 0.01 . 1 . . . . . . . . 6687 1 279 . 1 1 52 52 GLU N N 15 118.4 0.1 . 1 . . . . . . . . 6687 1 280 . 1 1 53 53 LEU H H 1 7.73 0.01 . 1 . . . . . . . . 6687 1 281 . 1 1 53 53 LEU HA H 1 3.80 0.01 . 1 . . . . . . . . 6687 1 282 . 1 1 53 53 LEU HB2 H 1 1.90 0.01 . 1 . . . . . . . . 6687 1 283 . 1 1 53 53 LEU HB3 H 1 1.90 0.01 . 1 . . . . . . . . 6687 1 284 . 1 1 53 53 LEU HG H 1 1.61 0.01 . 1 . . . . . . . . 6687 1 285 . 1 1 53 53 LEU HD11 H 1 1.03 0.01 . 2 . . . . . . . . 6687 1 286 . 1 1 53 53 LEU HD12 H 1 1.03 0.01 . 2 . . . . . . . . 6687 1 287 . 1 1 53 53 LEU HD13 H 1 1.03 0.01 . 2 . . . . . . . . 6687 1 288 . 1 1 53 53 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 6687 1 289 . 1 1 53 53 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 6687 1 290 . 1 1 53 53 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 6687 1 291 . 1 1 53 53 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 6687 1 292 . 1 1 54 54 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 6687 1 293 . 1 1 54 54 LYS HA H 1 3.83 0.01 . 1 . . . . . . . . 6687 1 294 . 1 1 54 54 LYS HB2 H 1 1.86 0.01 . 1 . . . . . . . . 6687 1 295 . 1 1 54 54 LYS HB3 H 1 1.86 0.01 . 1 . . . . . . . . 6687 1 296 . 1 1 54 54 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 6687 1 297 . 1 1 54 54 LYS HG3 H 1 1.38 0.01 . 1 . . . . . . . . 6687 1 298 . 1 1 54 54 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 6687 1 299 . 1 1 54 54 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 6687 1 300 . 1 1 54 54 LYS N N 15 116.0 0.1 . 1 . . . . . . . . 6687 1 301 . 1 1 55 55 VAL H H 1 7.12 0.01 . 1 . . . . . . . . 6687 1 302 . 1 1 55 55 VAL HA H 1 3.76 0.01 . 1 . . . . . . . . 6687 1 303 . 1 1 55 55 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . 6687 1 304 . 1 1 55 55 VAL HG11 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 305 . 1 1 55 55 VAL HG12 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 306 . 1 1 55 55 VAL HG13 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 307 . 1 1 55 55 VAL HG21 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 308 . 1 1 55 55 VAL HG22 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 309 . 1 1 55 55 VAL HG23 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 310 . 1 1 55 55 VAL N N 15 118.5 0.1 . 1 . . . . . . . . 6687 1 311 . 1 1 56 56 ALA H H 1 8.04 0.01 . 1 . . . . . . . . 6687 1 312 . 1 1 56 56 ALA HA H 1 4.06 0.01 . 1 . . . . . . . . 6687 1 313 . 1 1 56 56 ALA HB1 H 1 1.10 0.01 . 1 . . . . . . . . 6687 1 314 . 1 1 56 56 ALA HB2 H 1 1.10 0.01 . 1 . . . . . . . . 6687 1 315 . 1 1 56 56 ALA HB3 H 1 1.10 0.01 . 1 . . . . . . . . 6687 1 316 . 1 1 56 56 ALA N N 15 126.0 0.1 . 1 . . . . . . . . 6687 1 317 . 1 1 57 57 MET H H 1 8.37 0.01 . 1 . . . . . . . . 6687 1 318 . 1 1 57 57 MET HA H 1 4.15 0.01 . 1 . . . . . . . . 6687 1 319 . 1 1 57 57 MET HB2 H 1 2.15 0.01 . 1 . . . . . . . . 6687 1 320 . 1 1 57 57 MET HB3 H 1 2.15 0.01 . 1 . . . . . . . . 6687 1 321 . 1 1 57 57 MET HG2 H 1 2.51 0.01 . 1 . . . . . . . . 6687 1 322 . 1 1 57 57 MET HG3 H 1 2.51 0.01 . 1 . . . . . . . . 6687 1 323 . 1 1 57 57 MET HE1 H 1 2.92 0.01 . 1 . . . . . . . . 6687 1 324 . 1 1 57 57 MET HE2 H 1 2.92 0.01 . 1 . . . . . . . . 6687 1 325 . 1 1 57 57 MET HE3 H 1 2.92 0.01 . 1 . . . . . . . . 6687 1 326 . 1 1 57 57 MET N N 15 114.6 0.1 . 1 . . . . . . . . 6687 1 327 . 1 1 58 58 ARG H H 1 7.94 0.01 . 1 . . . . . . . . 6687 1 328 . 1 1 58 58 ARG HA H 1 4.49 0.01 . 1 . . . . . . . . 6687 1 329 . 1 1 58 58 ARG HB2 H 1 2.06 0.01 . 2 . . . . . . . . 6687 1 330 . 1 1 58 58 ARG HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6687 1 331 . 1 1 58 58 ARG HG2 H 1 1.79 0.01 . 1 . . . . . . . . 6687 1 332 . 1 1 58 58 ARG HG3 H 1 1.79 0.01 . 1 . . . . . . . . 6687 1 333 . 1 1 58 58 ARG HD2 H 1 3.25 0.01 . 1 . . . . . . . . 6687 1 334 . 1 1 58 58 ARG HD3 H 1 3.25 0.01 . 1 . . . . . . . . 6687 1 335 . 1 1 58 58 ARG N N 15 121.6 0.1 . 1 . . . . . . . . 6687 1 336 . 1 1 59 59 ALA H H 1 8.24 0.01 . 1 . . . . . . . . 6687 1 337 . 1 1 59 59 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 6687 1 338 . 1 1 59 59 ALA HB1 H 1 1.75 0.01 . 1 . . . . . . . . 6687 1 339 . 1 1 59 59 ALA HB2 H 1 1.75 0.01 . 1 . . . . . . . . 6687 1 340 . 1 1 59 59 ALA HB3 H 1 1.75 0.01 . 1 . . . . . . . . 6687 1 341 . 1 1 59 59 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 6687 1 342 . 1 1 60 60 LEU H H 1 7.38 0.01 . 1 . . . . . . . . 6687 1 343 . 1 1 60 60 LEU HA H 1 4.50 0.01 . 1 . . . . . . . . 6687 1 344 . 1 1 60 60 LEU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 6687 1 345 . 1 1 60 60 LEU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 6687 1 346 . 1 1 60 60 LEU HG H 1 1.91 0.01 . 1 . . . . . . . . 6687 1 347 . 1 1 60 60 LEU HD11 H 1 1.16 0.01 . 2 . . . . . . . . 6687 1 348 . 1 1 60 60 LEU HD12 H 1 1.16 0.01 . 2 . . . . . . . . 6687 1 349 . 1 1 60 60 LEU HD13 H 1 1.16 0.01 . 2 . . . . . . . . 6687 1 350 . 1 1 60 60 LEU HD21 H 1 1.06 0.01 . 2 . . . . . . . . 6687 1 351 . 1 1 60 60 LEU HD22 H 1 1.06 0.01 . 2 . . . . . . . . 6687 1 352 . 1 1 60 60 LEU HD23 H 1 1.06 0.01 . 2 . . . . . . . . 6687 1 353 . 1 1 60 60 LEU N N 15 117.2 0.1 . 1 . . . . . . . . 6687 1 354 . 1 1 61 61 GLY H H 1 7.95 0.01 . 1 . . . . . . . . 6687 1 355 . 1 1 61 61 GLY HA2 H 1 4.08 0.01 . 1 . . . . . . . . 6687 1 356 . 1 1 61 61 GLY HA3 H 1 3.71 0.01 . 1 . . . . . . . . 6687 1 357 . 1 1 61 61 GLY N N 15 106.8 0.1 . 1 . . . . . . . . 6687 1 358 . 1 1 62 62 PHE H H 1 7.99 0.01 . 1 . . . . . . . . 6687 1 359 . 1 1 62 62 PHE HA H 1 4.71 0.01 . 1 . . . . . . . . 6687 1 360 . 1 1 62 62 PHE HB2 H 1 3.02 0.01 . 2 . . . . . . . . 6687 1 361 . 1 1 62 62 PHE HB3 H 1 2.63 0.01 . 2 . . . . . . . . 6687 1 362 . 1 1 62 62 PHE HD1 H 1 7.18 0.01 . 1 . . . . . . . . 6687 1 363 . 1 1 62 62 PHE HD2 H 1 7.18 0.01 . 1 . . . . . . . . 6687 1 364 . 1 1 62 62 PHE HE1 H 1 7.28 0.01 . 1 . . . . . . . . 6687 1 365 . 1 1 62 62 PHE HE2 H 1 7.28 0.01 . 1 . . . . . . . . 6687 1 366 . 1 1 62 62 PHE HZ H 1 7.38 0.01 . 1 . . . . . . . . 6687 1 367 . 1 1 62 62 PHE N N 15 120.5 0.1 . 1 . . . . . . . . 6687 1 368 . 1 1 63 63 GLU H H 1 8.54 0.01 . 1 . . . . . . . . 6687 1 369 . 1 1 63 63 GLU HA H 1 4.77 0.01 . 1 . . . . . . . . 6687 1 370 . 1 1 63 63 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 6687 1 371 . 1 1 63 63 GLU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 6687 1 372 . 1 1 63 63 GLU HG2 H 1 2.19 0.01 . 2 . . . . . . . . 6687 1 373 . 1 1 63 63 GLU HG3 H 1 2.16 0.01 . 2 . . . . . . . . 6687 1 374 . 1 1 63 63 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 6687 1 375 . 1 1 64 64 PRO HA H 1 4.61 0.01 . 1 . . . . . . . . 6687 1 376 . 1 1 64 64 PRO HB2 H 1 2.16 0.01 . 1 . . . . . . . . 6687 1 377 . 1 1 64 64 PRO HB3 H 1 2.16 0.01 . 1 . . . . . . . . 6687 1 378 . 1 1 64 64 PRO HG2 H 1 1.98 0.01 . 1 . . . . . . . . 6687 1 379 . 1 1 64 64 PRO HG3 H 1 1.98 0.01 . 1 . . . . . . . . 6687 1 380 . 1 1 64 64 PRO HD2 H 1 3.73 0.01 . 2 . . . . . . . . 6687 1 381 . 1 1 64 64 PRO HD3 H 1 3.60 0.01 . 2 . . . . . . . . 6687 1 382 . 1 1 67 67 GLU H H 1 9.41 0.01 . 1 . . . . . . . . 6687 1 383 . 1 1 67 67 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . 6687 1 384 . 1 1 67 67 GLU HB2 H 1 2.08 0.01 . 1 . . . . . . . . 6687 1 385 . 1 1 67 67 GLU HB3 H 1 2.08 0.01 . 1 . . . . . . . . 6687 1 386 . 1 1 67 67 GLU HG2 H 1 2.39 0.01 . 1 . . . . . . . . 6687 1 387 . 1 1 67 67 GLU HG3 H 1 2.39 0.01 . 1 . . . . . . . . 6687 1 388 . 1 1 67 67 GLU N N 15 118.9 0.1 . 1 . . . . . . . . 6687 1 389 . 1 1 68 68 GLU H H 1 9.41 0.01 . 1 . . . . . . . . 6687 1 390 . 1 1 68 68 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . 6687 1 391 . 1 1 68 68 GLU HB2 H 1 2.08 0.01 . 1 . . . . . . . . 6687 1 392 . 1 1 68 68 GLU HB3 H 1 2.08 0.01 . 1 . . . . . . . . 6687 1 393 . 1 1 68 68 GLU HG2 H 1 2.39 0.01 . 1 . . . . . . . . 6687 1 394 . 1 1 68 68 GLU HG3 H 1 2.39 0.01 . 1 . . . . . . . . 6687 1 395 . 1 1 68 68 GLU N N 15 118.9 0.1 . 1 . . . . . . . . 6687 1 396 . 1 1 69 69 ILE H H 1 7.89 0.01 . 1 . . . . . . . . 6687 1 397 . 1 1 69 69 ILE HA H 1 3.83 0.01 . 1 . . . . . . . . 6687 1 398 . 1 1 69 69 ILE HB H 1 2.03 0.01 . 1 . . . . . . . . 6687 1 399 . 1 1 69 69 ILE HG21 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 400 . 1 1 69 69 ILE HG22 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 401 . 1 1 69 69 ILE HG23 H 1 0.98 0.01 . 1 . . . . . . . . 6687 1 402 . 1 1 69 69 ILE HG12 H 1 1.53 0.01 . 2 . . . . . . . . 6687 1 403 . 1 1 69 69 ILE HG13 H 1 1.28 0.01 . 2 . . . . . . . . 6687 1 404 . 1 1 69 69 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 405 . 1 1 69 69 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 406 . 1 1 69 69 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 6687 1 407 . 1 1 69 69 ILE N N 15 120.7 0.1 . 1 . . . . . . . . 6687 1 408 . 1 1 70 70 LYS H H 1 7.78 0.01 . 1 . . . . . . . . 6687 1 409 . 1 1 70 70 LYS HA H 1 3.94 0.01 . 1 . . . . . . . . 6687 1 410 . 1 1 70 70 LYS HB2 H 1 1.89 0.01 . 1 . . . . . . . . 6687 1 411 . 1 1 70 70 LYS HB3 H 1 1.89 0.01 . 1 . . . . . . . . 6687 1 412 . 1 1 70 70 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 6687 1 413 . 1 1 70 70 LYS HG3 H 1 1.44 0.01 . 2 . . . . . . . . 6687 1 414 . 1 1 70 70 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 6687 1 415 . 1 1 70 70 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 6687 1 416 . 1 1 70 70 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 6687 1 417 . 1 1 71 71 LYS H H 1 7.50 0.01 . 1 . . . . . . . . 6687 1 418 . 1 1 71 71 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 6687 1 419 . 1 1 71 71 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 6687 1 420 . 1 1 71 71 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 6687 1 421 . 1 1 71 71 LYS HG2 H 1 1.53 0.01 . 1 . . . . . . . . 6687 1 422 . 1 1 71 71 LYS HG3 H 1 1.53 0.01 . 1 . . . . . . . . 6687 1 423 . 1 1 71 71 LYS N N 15 120.1 0.1 . 1 . . . . . . . . 6687 1 424 . 1 1 72 72 MET H H 1 8.21 0.01 . 1 . . . . . . . . 6687 1 425 . 1 1 72 72 MET HA H 1 4.15 0.01 . 1 . . . . . . . . 6687 1 426 . 1 1 72 72 MET HB2 H 1 2.23 0.01 . 1 . . . . . . . . 6687 1 427 . 1 1 72 72 MET HB3 H 1 2.23 0.01 . 1 . . . . . . . . 6687 1 428 . 1 1 72 72 MET HG2 H 1 2.52 0.01 . 1 . . . . . . . . 6687 1 429 . 1 1 72 72 MET HG3 H 1 2.52 0.01 . 1 . . . . . . . . 6687 1 430 . 1 1 72 72 MET HE1 H 1 2.80 0.01 . 1 . . . . . . . . 6687 1 431 . 1 1 72 72 MET HE2 H 1 2.80 0.01 . 1 . . . . . . . . 6687 1 432 . 1 1 72 72 MET HE3 H 1 2.80 0.01 . 1 . . . . . . . . 6687 1 433 . 1 1 72 72 MET N N 15 119.7 0.1 . 1 . . . . . . . . 6687 1 434 . 1 1 73 73 ILE H H 1 8.43 0.01 . 1 . . . . . . . . 6687 1 435 . 1 1 73 73 ILE HA H 1 3.58 0.01 . 1 . . . . . . . . 6687 1 436 . 1 1 73 73 ILE HB H 1 1.91 0.01 . 1 . . . . . . . . 6687 1 437 . 1 1 73 73 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 6687 1 438 . 1 1 73 73 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 6687 1 439 . 1 1 73 73 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 6687 1 440 . 1 1 73 73 ILE HG12 H 1 0.97 0.01 . 2 . . . . . . . . 6687 1 441 . 1 1 73 73 ILE HG13 H 1 1.28 0.01 . 2 . . . . . . . . 6687 1 442 . 1 1 73 73 ILE HD11 H 1 0.84 0.01 . 1 . . . . . . . . 6687 1 443 . 1 1 73 73 ILE HD12 H 1 0.84 0.01 . 1 . . . . . . . . 6687 1 444 . 1 1 73 73 ILE HD13 H 1 0.84 0.01 . 1 . . . . . . . . 6687 1 445 . 1 1 73 73 ILE N N 15 120.7 0.1 . 1 . . . . . . . . 6687 1 446 . 1 1 74 74 SER H H 1 7.73 0.01 . 1 . . . . . . . . 6687 1 447 . 1 1 74 74 SER HA H 1 4.26 0.01 . 1 . . . . . . . . 6687 1 448 . 1 1 74 74 SER HB2 H 1 4.02 0.01 . 1 . . . . . . . . 6687 1 449 . 1 1 74 74 SER HB3 H 1 4.02 0.01 . 1 . . . . . . . . 6687 1 450 . 1 1 74 74 SER N N 15 115.1 0.1 . 1 . . . . . . . . 6687 1 451 . 1 1 75 75 GLU H H 1 7.55 0.01 . 1 . . . . . . . . 6687 1 452 . 1 1 75 75 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 6687 1 453 . 1 1 75 75 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 6687 1 454 . 1 1 75 75 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 6687 1 455 . 1 1 75 75 GLU HG2 H 1 2.42 0.01 . 1 . . . . . . . . 6687 1 456 . 1 1 75 75 GLU HG3 H 1 2.42 0.01 . 1 . . . . . . . . 6687 1 457 . 1 1 75 75 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 6687 1 458 . 1 1 76 76 ILE H H 1 7.92 0.01 . 1 . . . . . . . . 6687 1 459 . 1 1 76 76 ILE HA H 1 4.17 0.01 . 1 . . . . . . . . 6687 1 460 . 1 1 76 76 ILE HB H 1 1.86 0.01 . 1 . . . . . . . . 6687 1 461 . 1 1 76 76 ILE HG21 H 1 0.99 0.01 . 1 . . . . . . . . 6687 1 462 . 1 1 76 76 ILE HG22 H 1 0.99 0.01 . 1 . . . . . . . . 6687 1 463 . 1 1 76 76 ILE HG23 H 1 0.99 0.01 . 1 . . . . . . . . 6687 1 464 . 1 1 76 76 ILE HG12 H 1 1.67 0.01 . 2 . . . . . . . . 6687 1 465 . 1 1 76 76 ILE HG13 H 1 1.24 0.01 . 2 . . . . . . . . 6687 1 466 . 1 1 76 76 ILE HD11 H 1 0.85 0.01 . 1 . . . . . . . . 6687 1 467 . 1 1 76 76 ILE HD12 H 1 0.85 0.01 . 1 . . . . . . . . 6687 1 468 . 1 1 76 76 ILE HD13 H 1 0.85 0.01 . 1 . . . . . . . . 6687 1 469 . 1 1 76 76 ILE N N 15 117.3 0.1 . 1 . . . . . . . . 6687 1 470 . 1 1 77 77 ASP H H 1 8.45 0.01 . 1 . . . . . . . . 6687 1 471 . 1 1 77 77 ASP HA H 1 5.20 0.01 . 1 . . . . . . . . 6687 1 472 . 1 1 77 77 ASP HB2 H 1 2.92 0.01 . 2 . . . . . . . . 6687 1 473 . 1 1 77 77 ASP HB3 H 1 2.37 0.01 . 2 . . . . . . . . 6687 1 474 . 1 1 77 77 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 6687 1 475 . 1 1 78 78 LYS H H 1 8.01 0.01 . 1 . . . . . . . . 6687 1 476 . 1 1 78 78 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 6687 1 477 . 1 1 78 78 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 6687 1 478 . 1 1 78 78 LYS HB3 H 1 1.92 0.01 . 1 . . . . . . . . 6687 1 479 . 1 1 78 78 LYS HG2 H 1 1.53 0.01 . 1 . . . . . . . . 6687 1 480 . 1 1 78 78 LYS HG3 H 1 1.53 0.01 . 1 . . . . . . . . 6687 1 481 . 1 1 78 78 LYS HD2 H 1 1.79 0.01 . 1 . . . . . . . . 6687 1 482 . 1 1 78 78 LYS HD3 H 1 1.79 0.01 . 1 . . . . . . . . 6687 1 483 . 1 1 78 78 LYS N N 15 123.0 0.1 . 1 . . . . . . . . 6687 1 484 . 1 1 79 79 GLU H H 1 8.71 0.01 . 1 . . . . . . . . 6687 1 485 . 1 1 79 79 GLU HA H 1 4.41 0.01 . 1 . . . . . . . . 6687 1 486 . 1 1 79 79 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 6687 1 487 . 1 1 79 79 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 6687 1 488 . 1 1 79 79 GLU HG2 H 1 2.35 0.01 . 2 . . . . . . . . 6687 1 489 . 1 1 79 79 GLU HG3 H 1 2.31 0.01 . 2 . . . . . . . . 6687 1 490 . 1 1 79 79 GLU N N 15 116.7 0.1 . 1 . . . . . . . . 6687 1 491 . 1 1 80 80 GLY H H 1 7.89 0.01 . 1 . . . . . . . . 6687 1 492 . 1 1 80 80 GLY HA2 H 1 3.95 0.01 . 2 . . . . . . . . 6687 1 493 . 1 1 80 80 GLY HA3 H 1 3.88 0.01 . 2 . . . . . . . . 6687 1 494 . 1 1 80 80 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 6687 1 495 . 1 1 81 81 THR H H 1 9.24 0.01 . 1 . . . . . . . . 6687 1 496 . 1 1 81 81 THR HA H 1 4.26 0.01 . 1 . . . . . . . . 6687 1 497 . 1 1 81 81 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 6687 1 498 . 1 1 81 81 THR HG21 H 1 1.30 0.01 . 1 . . . . . . . . 6687 1 499 . 1 1 81 81 THR HG22 H 1 1.30 0.01 . 1 . . . . . . . . 6687 1 500 . 1 1 81 81 THR HG23 H 1 1.30 0.01 . 1 . . . . . . . . 6687 1 501 . 1 1 81 81 THR N N 15 114.3 0.1 . 1 . . . . . . . . 6687 1 502 . 1 1 82 82 GLY H H 1 10.37 0.01 . 1 . . . . . . . . 6687 1 503 . 1 1 82 82 GLY HA2 H 1 4.23 0.01 . 2 . . . . . . . . 6687 1 504 . 1 1 82 82 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 6687 1 505 . 1 1 82 82 GLY N N 15 114.1 0.1 . 1 . . . . . . . . 6687 1 506 . 1 1 83 83 LYS H H 1 7.92 0.01 . 1 . . . . . . . . 6687 1 507 . 1 1 83 83 LYS HA H 1 5.21 0.01 . 1 . . . . . . . . 6687 1 508 . 1 1 83 83 LYS HB2 H 1 1.73 0.01 . 1 . . . . . . . . 6687 1 509 . 1 1 83 83 LYS HB3 H 1 1.73 0.01 . 1 . . . . . . . . 6687 1 510 . 1 1 83 83 LYS HG2 H 1 1.39 0.01 . 1 . . . . . . . . 6687 1 511 . 1 1 83 83 LYS HG3 H 1 1.39 0.01 . 1 . . . . . . . . 6687 1 512 . 1 1 83 83 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 6687 1 513 . 1 1 83 83 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 6687 1 514 . 1 1 83 83 LYS N N 15 121.0 0.1 . 1 . . . . . . . . 6687 1 515 . 1 1 84 84 MET H H 1 8.96 0.01 . 1 . . . . . . . . 6687 1 516 . 1 1 84 84 MET HA H 1 4.95 0.01 . 1 . . . . . . . . 6687 1 517 . 1 1 84 84 MET HB2 H 1 2.11 0.01 . 2 . . . . . . . . 6687 1 518 . 1 1 84 84 MET HB3 H 1 1.98 0.01 . 2 . . . . . . . . 6687 1 519 . 1 1 84 84 MET HG2 H 1 2.58 0.01 . 1 . . . . . . . . 6687 1 520 . 1 1 84 84 MET HG3 H 1 2.58 0.01 . 1 . . . . . . . . 6687 1 521 . 1 1 84 84 MET HE1 H 1 2.50 0.01 . 1 . . . . . . . . 6687 1 522 . 1 1 84 84 MET HE2 H 1 2.50 0.01 . 1 . . . . . . . . 6687 1 523 . 1 1 84 84 MET HE3 H 1 2.50 0.01 . 1 . . . . . . . . 6687 1 524 . 1 1 84 84 MET N N 15 118.4 0.1 . 1 . . . . . . . . 6687 1 525 . 1 1 85 85 ASN H H 1 9.26 0.01 . 1 . . . . . . . . 6687 1 526 . 1 1 85 85 ASN HA H 1 5.57 0.01 . 1 . . . . . . . . 6687 1 527 . 1 1 85 85 ASN HB2 H 1 3.33 0.01 . 2 . . . . . . . . 6687 1 528 . 1 1 85 85 ASN HB3 H 1 2.94 0.01 . 2 . . . . . . . . 6687 1 529 . 1 1 85 85 ASN HD21 H 1 7.54 0.01 . 2 . . . . . . . . 6687 1 530 . 1 1 85 85 ASN HD22 H 1 6.82 0.01 . 2 . . . . . . . . 6687 1 531 . 1 1 85 85 ASN N N 15 122.1 0.1 . 1 . . . . . . . . 6687 1 532 . 1 1 85 85 ASN ND2 N 15 112.8 0.1 . 1 . . . . . . . . 6687 1 533 . 1 1 86 86 PHE H H 1 8.53 0.01 . 1 . . . . . . . . 6687 1 534 . 1 1 86 86 PHE HA H 1 4.69 0.01 . 1 . . . . . . . . 6687 1 535 . 1 1 86 86 PHE HB2 H 1 3.42 0.01 . 2 . . . . . . . . 6687 1 536 . 1 1 86 86 PHE HB3 H 1 2.31 0.01 . 2 . . . . . . . . 6687 1 537 . 1 1 86 86 PHE HD1 H 1 6.61 0.01 . 1 . . . . . . . . 6687 1 538 . 1 1 86 86 PHE HD2 H 1 6.61 0.01 . 1 . . . . . . . . 6687 1 539 . 1 1 86 86 PHE HE1 H 1 7.21 0.01 . 1 . . . . . . . . 6687 1 540 . 1 1 86 86 PHE HE2 H 1 7.21 0.01 . 1 . . . . . . . . 6687 1 541 . 1 1 86 86 PHE HZ H 1 7.16 0.01 . 1 . . . . . . . . 6687 1 542 . 1 1 86 86 PHE N N 15 120.3 0.1 . 1 . . . . . . . . 6687 1 543 . 1 1 87 87 GLY H H 1 8.43 0.01 . 1 . . . . . . . . 6687 1 544 . 1 1 87 87 GLY HA2 H 1 3.84 0.01 . 2 . . . . . . . . 6687 1 545 . 1 1 87 87 GLY HA3 H 1 3.44 0.01 . 2 . . . . . . . . 6687 1 546 . 1 1 87 87 GLY N N 15 107.4 0.1 . 1 . . . . . . . . 6687 1 547 . 1 1 88 88 ASP H H 1 8.03 0.01 . 1 . . . . . . . . 6687 1 548 . 1 1 88 88 ASP HA H 1 4.47 0.01 . 1 . . . . . . . . 6687 1 549 . 1 1 88 88 ASP HB2 H 1 3.02 0.01 . 2 . . . . . . . . 6687 1 550 . 1 1 88 88 ASP HB3 H 1 2.63 0.01 . 2 . . . . . . . . 6687 1 551 . 1 1 88 88 ASP N N 15 122.7 0.1 . 1 . . . . . . . . 6687 1 552 . 1 1 89 89 PHE H H 1 7.91 0.01 . 1 . . . . . . . . 6687 1 553 . 1 1 89 89 PHE HA H 1 4.16 0.01 . 1 . . . . . . . . 6687 1 554 . 1 1 89 89 PHE HB2 H 1 3.14 0.01 . 2 . . . . . . . . 6687 1 555 . 1 1 89 89 PHE HB3 H 1 3.05 0.01 . 2 . . . . . . . . 6687 1 556 . 1 1 89 89 PHE HD1 H 1 7.11 0.01 . 1 . . . . . . . . 6687 1 557 . 1 1 89 89 PHE HD2 H 1 7.11 0.01 . 1 . . . . . . . . 6687 1 558 . 1 1 89 89 PHE HE1 H 1 7.42 0.01 . 1 . . . . . . . . 6687 1 559 . 1 1 89 89 PHE HE2 H 1 7.42 0.01 . 1 . . . . . . . . 6687 1 560 . 1 1 89 89 PHE HZ H 1 7.42 0.01 . 1 . . . . . . . . 6687 1 561 . 1 1 89 89 PHE N N 15 122.5 0.1 . 1 . . . . . . . . 6687 1 562 . 1 1 90 90 LEU H H 1 8.81 0.01 . 1 . . . . . . . . 6687 1 563 . 1 1 90 90 LEU HA H 1 3.56 0.01 . 1 . . . . . . . . 6687 1 564 . 1 1 90 90 LEU HB2 H 1 1.48 0.01 . 1 . . . . . . . . 6687 1 565 . 1 1 90 90 LEU HB3 H 1 1.48 0.01 . 1 . . . . . . . . 6687 1 566 . 1 1 90 90 LEU HG H 1 1.24 0.01 . 1 . . . . . . . . 6687 1 567 . 1 1 90 90 LEU HD11 H 1 1.08 0.01 . 2 . . . . . . . . 6687 1 568 . 1 1 90 90 LEU HD12 H 1 1.08 0.01 . 2 . . . . . . . . 6687 1 569 . 1 1 90 90 LEU HD13 H 1 1.08 0.01 . 2 . . . . . . . . 6687 1 570 . 1 1 90 90 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . 6687 1 571 . 1 1 90 90 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . 6687 1 572 . 1 1 90 90 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . 6687 1 573 . 1 1 90 90 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 6687 1 574 . 1 1 91 91 THR H H 1 8.01 0.01 . 1 . . . . . . . . 6687 1 575 . 1 1 91 91 THR HA H 1 3.77 0.01 . 1 . . . . . . . . 6687 1 576 . 1 1 91 91 THR HB H 1 4.43 0.01 . 1 . . . . . . . . 6687 1 577 . 1 1 91 91 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 6687 1 578 . 1 1 91 91 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 6687 1 579 . 1 1 91 91 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 6687 1 580 . 1 1 91 91 THR N N 15 119.2 0.1 . 1 . . . . . . . . 6687 1 581 . 1 1 92 92 VAL H H 1 7.71 0.01 . 1 . . . . . . . . 6687 1 582 . 1 1 92 92 VAL HA H 1 3.76 0.01 . 1 . . . . . . . . 6687 1 583 . 1 1 92 92 VAL HB H 1 2.09 0.01 . 1 . . . . . . . . 6687 1 584 . 1 1 92 92 VAL HG11 H 1 1.03 0.01 . 1 . . . . . . . . 6687 1 585 . 1 1 92 92 VAL HG12 H 1 1.03 0.01 . 1 . . . . . . . . 6687 1 586 . 1 1 92 92 VAL HG13 H 1 1.03 0.01 . 1 . . . . . . . . 6687 1 587 . 1 1 92 92 VAL HG21 H 1 0.92 0.01 . 1 . . . . . . . . 6687 1 588 . 1 1 92 92 VAL HG22 H 1 0.92 0.01 . 1 . . . . . . . . 6687 1 589 . 1 1 92 92 VAL HG23 H 1 0.92 0.01 . 1 . . . . . . . . 6687 1 590 . 1 1 92 92 VAL N N 15 120.8 0.1 . 1 . . . . . . . . 6687 1 591 . 1 1 93 93 MET H H 1 8.11 0.01 . 1 . . . . . . . . 6687 1 592 . 1 1 93 93 MET HA H 1 4.21 0.01 . 1 . . . . . . . . 6687 1 593 . 1 1 93 93 MET HB2 H 1 1.69 0.01 . 1 . . . . . . . . 6687 1 594 . 1 1 93 93 MET HB3 H 1 1.69 0.01 . 1 . . . . . . . . 6687 1 595 . 1 1 93 93 MET HG2 H 1 1.78 0.01 . 1 . . . . . . . . 6687 1 596 . 1 1 93 93 MET HG3 H 1 1.78 0.01 . 1 . . . . . . . . 6687 1 597 . 1 1 93 93 MET HE1 H 1 2.16 0.01 . 1 . . . . . . . . 6687 1 598 . 1 1 93 93 MET HE2 H 1 2.16 0.01 . 1 . . . . . . . . 6687 1 599 . 1 1 93 93 MET HE3 H 1 2.16 0.01 . 1 . . . . . . . . 6687 1 600 . 1 1 93 93 MET N N 15 117.6 0.1 . 1 . . . . . . . . 6687 1 601 . 1 1 94 94 THR H H 1 8.23 0.01 . 1 . . . . . . . . 6687 1 602 . 1 1 94 94 THR HA H 1 3.84 0.01 . 1 . . . . . . . . 6687 1 603 . 1 1 94 94 THR HB H 1 4.29 0.01 . 1 . . . . . . . . 6687 1 604 . 1 1 94 94 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 6687 1 605 . 1 1 94 94 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 6687 1 606 . 1 1 94 94 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 6687 1 607 . 1 1 94 94 THR N N 15 115.3 0.1 . 1 . . . . . . . . 6687 1 608 . 1 1 95 95 GLN H H 1 7.40 0.01 . 1 . . . . . . . . 6687 1 609 . 1 1 95 95 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 6687 1 610 . 1 1 95 95 GLN HB2 H 1 2.16 0.01 . 1 . . . . . . . . 6687 1 611 . 1 1 95 95 GLN HB3 H 1 2.16 0.01 . 1 . . . . . . . . 6687 1 612 . 1 1 95 95 GLN HG2 H 1 2.50 0.01 . 2 . . . . . . . . 6687 1 613 . 1 1 95 95 GLN HG3 H 1 2.41 0.01 . 2 . . . . . . . . 6687 1 614 . 1 1 95 95 GLN HE21 H 1 7.30 0.01 . 2 . . . . . . . . 6687 1 615 . 1 1 95 95 GLN HE22 H 1 6.86 0.01 . 2 . . . . . . . . 6687 1 616 . 1 1 95 95 GLN NE2 N 15 112.0 0.1 . 1 . . . . . . . . 6687 1 617 . 1 1 95 95 GLN N N 15 119.9 0.1 . 1 . . . . . . . . 6687 1 618 . 1 1 96 96 LYS H H 1 7.50 0.01 . 1 . . . . . . . . 6687 1 619 . 1 1 96 96 LYS HA H 1 4.18 0.01 . 1 . . . . . . . . 6687 1 620 . 1 1 96 96 LYS HB2 H 1 1.50 0.01 . 1 . . . . . . . . 6687 1 621 . 1 1 96 96 LYS HB3 H 1 1.50 0.01 . 1 . . . . . . . . 6687 1 622 . 1 1 96 96 LYS HG2 H 1 1.29 0.01 . 1 . . . . . . . . 6687 1 623 . 1 1 96 96 LYS HG3 H 1 1.29 0.01 . 1 . . . . . . . . 6687 1 624 . 1 1 96 96 LYS HD2 H 1 1.07 0.01 . 1 . . . . . . . . 6687 1 625 . 1 1 96 96 LYS HD3 H 1 1.07 0.01 . 1 . . . . . . . . 6687 1 626 . 1 1 96 96 LYS N N 15 118.0 0.1 . 1 . . . . . . . . 6687 1 627 . 1 1 97 97 MET H H 1 7.71 0.01 . 1 . . . . . . . . 6687 1 628 . 1 1 97 97 MET HA H 1 4.42 0.01 . 1 . . . . . . . . 6687 1 629 . 1 1 97 97 MET HB2 H 1 1.87 0.01 . 1 . . . . . . . . 6687 1 630 . 1 1 97 97 MET HB3 H 1 1.87 0.01 . 1 . . . . . . . . 6687 1 631 . 1 1 97 97 MET HG2 H 1 2.55 0.01 . 2 . . . . . . . . 6687 1 632 . 1 1 97 97 MET HG3 H 1 2.26 0.01 . 2 . . . . . . . . 6687 1 633 . 1 1 97 97 MET N N 15 118.4 0.1 . 1 . . . . . . . . 6687 1 634 . 1 1 98 98 SER H H 1 7.51 0.01 . 1 . . . . . . . . 6687 1 635 . 1 1 98 98 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 6687 1 636 . 1 1 98 98 SER HB2 H 1 3.90 0.01 . 1 . . . . . . . . 6687 1 637 . 1 1 98 98 SER HB3 H 1 3.90 0.01 . 1 . . . . . . . . 6687 1 638 . 1 1 98 98 SER N N 15 121.4 0.1 . 1 . . . . . . . . 6687 1 stop_ save_