data_4869 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4869 _Entry.Title ; HMG PROTEIN NHP6A FROM SACCHAROMYCES CEREVISIAE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-19 _Entry.Accession_date 2000-10-19 _Entry.Last_release_date 2001-11-14 _Entry.Original_release_date 2001-11-14 _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 F. Allain . H.T. . 4869 2 Y. Yen . M. . 4869 3 J. Masse . E. . 4869 4 P. Schultze . . . 4869 5 T. Dieckmann . . . 4869 6 R. Johnson . C. . 4869 7 J. Feigon . . . 4869 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4869 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 548 4869 '13C chemical shifts' 249 4869 '15N chemical shifts' 83 4869 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 . . 2001-11-14 2000-10-19 original author . 4869 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4869 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99246280 _Citation.DOI . _Citation.PubMed_ID 10228169 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Hmg Protein Nhp6A and its Interaction with DNA Reveals the Structural Determinants for Non-sequence-specific Binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 9 _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 2563 _Citation.Page_last 2579 _Citation.Year 1999 _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 F. Allain . H.T. . 4869 1 2 Y. Yen . M. . 4869 1 3 J. Masse . M. . 4869 1 4 P. Schultze . . . 4869 1 5 T. Dieckmann . . . 4869 1 6 R. Johnson . C. . 4869 1 7 J. Feigon . . . 4869 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HMG BOX' 4869 1 'DNA BENDING' 4869 1 'DNA RECOGNITION' 4869 1 CHROMATIN 4869 1 NMR 4869 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_nhp6a _Assembly.Sf_category assembly _Assembly.Sf_framecode system_nhp6a _Assembly.Entry_ID 4869 _Assembly.ID 1 _Assembly.Name 'NON HISTONE PROTEIN 6 A' _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 4869 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 nhp6a 1 $nhp6a . . . native . . . . . 4869 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 1CG7 . . . . . . 4869 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'NON HISTONE PROTEIN 6 A' system 4869 1 nhp6a abbreviation 4869 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nhp6a _Entity.Sf_category entity _Entity.Sf_framecode nhp6a _Entity.Entry_ID 4869 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PROTEIN (NON HISTONE PROTEIN 6 A)' _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 ; MVTPREPKKRTTRKKKDPNA PKRALSAYMFFANENRDIVR SENPDITFGQVGKKLGEKWK ALTPEEKQPYEAKAQADKKR YESEKELYNATLA ; _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 93 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1CG7 . "Hmg Protein Nhp6a From Saccharomyces Cerevisiae" . . . . . 98.92 93 100.00 100.00 2.93e-58 . . . . 4869 1 2 no PDB 1J5N . "Solution Structure Of The Non-Sequence-Specific Hmgb Protein Nhp6a In Complex With Sry Dna" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 3 no PDB 1LWM . "Solution Structure Of The Sequence-Non-Specific Hmgb Protein Nhp6a" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 4 no DBJ GAA27020 . "K7_Nhp6ap [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 93 98.92 98.92 1.23e-58 . . . . 4869 1 5 no EMBL CAA33377 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 6 no EMBL CAA89171 . "Nhp6ap [Saccharomyces cerevisiae]" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 7 no EMBL CAA94998 . "Nhp6ap [Saccharomyces cerevisiae]" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 8 no EMBL CAY87008 . "Nhp6ap [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 93 98.92 98.92 1.23e-58 . . . . 4869 1 9 no GB AAA34754 . "high mobility group non-histone protein [Saccharomyces cerevisiae]" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 10 no GB AAT93249 . "YPR052C [Saccharomyces cerevisiae]" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 11 no GB AHY78218 . "Nhp6ap [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 93 98.92 98.92 1.23e-58 . . . . 4869 1 12 no GB EDN61184 . "nonhistone chromosomal protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 93 98.92 98.92 1.23e-58 . . . . 4869 1 13 no GB EDV11256 . "11 kDa nonhistone chromosomal protein [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 93 98.92 98.92 1.23e-58 . . . . 4869 1 14 no REF NP_015377 . "Nhp6ap [Saccharomyces cerevisiae S288c]" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 15 no SP P11632 . "RecName: Full=Non-histone chromosomal protein 6A [Saccharomyces cerevisiae S288c]" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 16 no TPG DAA11475 . "TPA: Nhp6ap [Saccharomyces cerevisiae S288c]" . . . . . 100.00 93 100.00 100.00 2.39e-59 . . . . 4869 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PROTEIN (NON HISTONE PROTEIN 6 A)' common 4869 1 nhp6a abbreviation 4869 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 . 4869 1 2 . VAL . 4869 1 3 . THR . 4869 1 4 . PRO . 4869 1 5 . ARG . 4869 1 6 . GLU . 4869 1 7 . PRO . 4869 1 8 . LYS . 4869 1 9 . LYS . 4869 1 10 . ARG . 4869 1 11 . THR . 4869 1 12 . THR . 4869 1 13 . ARG . 4869 1 14 . LYS . 4869 1 15 . LYS . 4869 1 16 . LYS . 4869 1 17 . ASP . 4869 1 18 . PRO . 4869 1 19 . ASN . 4869 1 20 . ALA . 4869 1 21 . PRO . 4869 1 22 . LYS . 4869 1 23 . ARG . 4869 1 24 . ALA . 4869 1 25 . LEU . 4869 1 26 . SER . 4869 1 27 . ALA . 4869 1 28 . TYR . 4869 1 29 . MET . 4869 1 30 . PHE . 4869 1 31 . PHE . 4869 1 32 . ALA . 4869 1 33 . ASN . 4869 1 34 . GLU . 4869 1 35 . ASN . 4869 1 36 . ARG . 4869 1 37 . ASP . 4869 1 38 . ILE . 4869 1 39 . VAL . 4869 1 40 . ARG . 4869 1 41 . SER . 4869 1 42 . GLU . 4869 1 43 . ASN . 4869 1 44 . PRO . 4869 1 45 . ASP . 4869 1 46 . ILE . 4869 1 47 . THR . 4869 1 48 . PHE . 4869 1 49 . GLY . 4869 1 50 . GLN . 4869 1 51 . VAL . 4869 1 52 . GLY . 4869 1 53 . LYS . 4869 1 54 . LYS . 4869 1 55 . LEU . 4869 1 56 . GLY . 4869 1 57 . GLU . 4869 1 58 . LYS . 4869 1 59 . TRP . 4869 1 60 . LYS . 4869 1 61 . ALA . 4869 1 62 . LEU . 4869 1 63 . THR . 4869 1 64 . PRO . 4869 1 65 . GLU . 4869 1 66 . GLU . 4869 1 67 . LYS . 4869 1 68 . GLN . 4869 1 69 . PRO . 4869 1 70 . TYR . 4869 1 71 . GLU . 4869 1 72 . ALA . 4869 1 73 . LYS . 4869 1 74 . ALA . 4869 1 75 . GLN . 4869 1 76 . ALA . 4869 1 77 . ASP . 4869 1 78 . LYS . 4869 1 79 . LYS . 4869 1 80 . ARG . 4869 1 81 . TYR . 4869 1 82 . GLU . 4869 1 83 . SER . 4869 1 84 . GLU . 4869 1 85 . LYS . 4869 1 86 . GLU . 4869 1 87 . LEU . 4869 1 88 . TYR . 4869 1 89 . ASN . 4869 1 90 . ALA . 4869 1 91 . THR . 4869 1 92 . LEU . 4869 1 93 . ALA . 4869 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 4869 1 . VAL 2 2 4869 1 . THR 3 3 4869 1 . PRO 4 4 4869 1 . ARG 5 5 4869 1 . GLU 6 6 4869 1 . PRO 7 7 4869 1 . LYS 8 8 4869 1 . LYS 9 9 4869 1 . ARG 10 10 4869 1 . THR 11 11 4869 1 . THR 12 12 4869 1 . ARG 13 13 4869 1 . LYS 14 14 4869 1 . LYS 15 15 4869 1 . LYS 16 16 4869 1 . ASP 17 17 4869 1 . PRO 18 18 4869 1 . ASN 19 19 4869 1 . ALA 20 20 4869 1 . PRO 21 21 4869 1 . LYS 22 22 4869 1 . ARG 23 23 4869 1 . ALA 24 24 4869 1 . LEU 25 25 4869 1 . SER 26 26 4869 1 . ALA 27 27 4869 1 . TYR 28 28 4869 1 . MET 29 29 4869 1 . PHE 30 30 4869 1 . PHE 31 31 4869 1 . ALA 32 32 4869 1 . ASN 33 33 4869 1 . GLU 34 34 4869 1 . ASN 35 35 4869 1 . ARG 36 36 4869 1 . ASP 37 37 4869 1 . ILE 38 38 4869 1 . VAL 39 39 4869 1 . ARG 40 40 4869 1 . SER 41 41 4869 1 . GLU 42 42 4869 1 . ASN 43 43 4869 1 . PRO 44 44 4869 1 . ASP 45 45 4869 1 . ILE 46 46 4869 1 . THR 47 47 4869 1 . PHE 48 48 4869 1 . GLY 49 49 4869 1 . GLN 50 50 4869 1 . VAL 51 51 4869 1 . GLY 52 52 4869 1 . LYS 53 53 4869 1 . LYS 54 54 4869 1 . LEU 55 55 4869 1 . GLY 56 56 4869 1 . GLU 57 57 4869 1 . LYS 58 58 4869 1 . TRP 59 59 4869 1 . LYS 60 60 4869 1 . ALA 61 61 4869 1 . LEU 62 62 4869 1 . THR 63 63 4869 1 . PRO 64 64 4869 1 . GLU 65 65 4869 1 . GLU 66 66 4869 1 . LYS 67 67 4869 1 . GLN 68 68 4869 1 . PRO 69 69 4869 1 . TYR 70 70 4869 1 . GLU 71 71 4869 1 . ALA 72 72 4869 1 . LYS 73 73 4869 1 . ALA 74 74 4869 1 . GLN 75 75 4869 1 . ALA 76 76 4869 1 . ASP 77 77 4869 1 . LYS 78 78 4869 1 . LYS 79 79 4869 1 . ARG 80 80 4869 1 . TYR 81 81 4869 1 . GLU 82 82 4869 1 . SER 83 83 4869 1 . GLU 84 84 4869 1 . LYS 85 85 4869 1 . GLU 86 86 4869 1 . LEU 87 87 4869 1 . TYR 88 88 4869 1 . ASN 89 89 4869 1 . ALA 90 90 4869 1 . THR 91 91 4869 1 . LEU 92 92 4869 1 . ALA 93 93 4869 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 4869 _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 $nhp6a . 4932 . . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4869 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 4869 _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 $nhp6a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4869 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4869 _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 'PROTEIN (NON HISTONE PROTEIN 6 A)' '[U-13C; U-15N]' . . 1 $nhp6a . . 1.0 . . mM . . . . 4869 1 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 4869 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.1 n/a 4869 1 temperature 293 1.0 K 4869 1 'ionic strength' 100 1.0 mM 4869 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4869 _Software.ID 1 _Software.Name DYANA _Software.Version . _Software.Details GUNTERT,WUTHRICH loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4869 1 'structure calculation' 4869 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4869 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'resonance assignments' 4869 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4869 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE cross-peaks assignments' 4869 3 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4869 _Software.ID 4 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4869 4 'data acquisitions' 4869 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4869 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4869 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 4869 _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_1 Bruker DRX . 600 . . . 4869 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 4869 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 4869 _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 '15N and 13C-separated 3D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4869 1 2 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4869 1 3 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4869 1 4 '3D HN(CO)CACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4869 1 5 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4869 1 6 '3D 15N-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4869 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 4869 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N and 13C-separated 3D 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 4869 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 4869 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HN(CO)CA' _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 4869 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HN(CO)CACB' _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 4869 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 4869 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N-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_ #################### # 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 4869 _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 . . . . . . . . . 4869 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4869 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4869 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 4869 _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 . 4869 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 10 10 ARG H H 1 8.42 0.01 . 1 . . . . . . . . 4869 1 2 . 1 1 10 10 ARG HA H 1 4.30 0.01 . 1 . . . . . . . . 4869 1 3 . 1 1 10 10 ARG HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4869 1 4 . 1 1 10 10 ARG HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4869 1 5 . 1 1 10 10 ARG CA C 13 53.0 0.1 . 1 . . . . . . . . 4869 1 6 . 1 1 10 10 ARG CB C 13 27.9 0.1 . 1 . . . . . . . . 4869 1 7 . 1 1 10 10 ARG N N 15 123.6 0.1 . 1 . . . . . . . . 4869 1 8 . 1 1 11 11 THR H H 1 8.36 0.01 . 1 . . . . . . . . 4869 1 9 . 1 1 11 11 THR HA H 1 4.28 0.01 . 1 . . . . . . . . 4869 1 10 . 1 1 11 11 THR HB H 1 4.17 0.01 . 1 . . . . . . . . 4869 1 11 . 1 1 11 11 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 4869 1 12 . 1 1 11 11 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 4869 1 13 . 1 1 11 11 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 4869 1 14 . 1 1 11 11 THR CA C 13 58.6 0.1 . 1 . . . . . . . . 4869 1 15 . 1 1 11 11 THR CB C 13 67.0 0.1 . 1 . . . . . . . . 4869 1 16 . 1 1 11 11 THR N N 15 116.3 0.1 . 1 . . . . . . . . 4869 1 17 . 1 1 12 12 THR H H 1 8.28 0.01 . 1 . . . . . . . . 4869 1 18 . 1 1 12 12 THR HA H 1 4.39 0.01 . 1 . . . . . . . . 4869 1 19 . 1 1 12 12 THR HB H 1 4.16 0.01 . 1 . . . . . . . . 4869 1 20 . 1 1 12 12 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 4869 1 21 . 1 1 12 12 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 4869 1 22 . 1 1 12 12 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 4869 1 23 . 1 1 12 12 THR N N 15 117.1 0.1 . 1 . . . . . . . . 4869 1 24 . 1 1 17 17 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 4869 1 25 . 1 1 17 17 ASP HA H 1 4.84 0.01 . 1 . . . . . . . . 4869 1 26 . 1 1 17 17 ASP HB2 H 1 2.79 0.01 . 2 . . . . . . . . 4869 1 27 . 1 1 17 17 ASP HB3 H 1 2.56 0.01 . 2 . . . . . . . . 4869 1 28 . 1 1 17 17 ASP CA C 13 49.0 0.1 . 1 . . . . . . . . 4869 1 29 . 1 1 17 17 ASP CB C 13 38.4 0.1 . 1 . . . . . . . . 4869 1 30 . 1 1 17 17 ASP N N 15 124.0 0.1 . 1 . . . . . . . . 4869 1 31 . 1 1 18 18 PRO HA H 1 4.37 0.01 . 1 . . . . . . . . 4869 1 32 . 1 1 18 18 PRO HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4869 1 33 . 1 1 18 18 PRO HB3 H 1 1.95 0.01 . 2 . . . . . . . . 4869 1 34 . 1 1 18 18 PRO HG2 H 1 1.96 0.01 . 1 . . . . . . . . 4869 1 35 . 1 1 18 18 PRO HG3 H 1 1.96 0.01 . 1 . . . . . . . . 4869 1 36 . 1 1 18 18 PRO HD2 H 1 3.77 0.01 . 2 . . . . . . . . 4869 1 37 . 1 1 18 18 PRO HD3 H 1 3.84 0.01 . 2 . . . . . . . . 4869 1 38 . 1 1 18 18 PRO CA C 13 60.7 0.1 . 1 . . . . . . . . 4869 1 39 . 1 1 18 18 PRO CB C 13 29.3 0.1 . 1 . . . . . . . . 4869 1 40 . 1 1 18 18 PRO CG C 13 24.0 0.1 . 1 . . . . . . . . 4869 1 41 . 1 1 18 18 PRO CD C 13 47.8 0.1 . 1 . . . . . . . . 4869 1 42 . 1 1 19 19 ASN H H 1 8.43 0.01 . 1 . . . . . . . . 4869 1 43 . 1 1 19 19 ASN HA H 1 4.65 0.01 . 1 . . . . . . . . 4869 1 44 . 1 1 19 19 ASN HB2 H 1 2.70 0.01 . 1 . . . . . . . . 4869 1 45 . 1 1 19 19 ASN HB3 H 1 2.70 0.01 . 1 . . . . . . . . 4869 1 46 . 1 1 19 19 ASN HD21 H 1 7.72 0.01 . 1 . . . . . . . . 4869 1 47 . 1 1 19 19 ASN HD22 H 1 6.96 0.01 . 1 . . . . . . . . 4869 1 48 . 1 1 19 19 ASN CA C 13 49.9 0.1 . 1 . . . . . . . . 4869 1 49 . 1 1 19 19 ASN CB C 13 35.0 0.1 . 1 . . . . . . . . 4869 1 50 . 1 1 19 19 ASN N N 15 117.6 0.1 . 1 . . . . . . . . 4869 1 51 . 1 1 19 19 ASN ND2 N 15 113.5 0.1 . 1 . . . . . . . . 4869 1 52 . 1 1 20 20 ALA H H 1 7.68 0.01 . 1 . . . . . . . . 4869 1 53 . 1 1 20 20 ALA HA H 1 3.46 0.01 . 1 . . . . . . . . 4869 1 54 . 1 1 20 20 ALA HB1 H 1 1.07 0.01 . 1 . . . . . . . . 4869 1 55 . 1 1 20 20 ALA HB2 H 1 1.07 0.01 . 1 . . . . . . . . 4869 1 56 . 1 1 20 20 ALA HB3 H 1 1.07 0.01 . 1 . . . . . . . . 4869 1 57 . 1 1 20 20 ALA CA C 13 47.5 0.1 . 1 . . . . . . . . 4869 1 58 . 1 1 20 20 ALA CB C 13 14.1 0.1 . 1 . . . . . . . . 4869 1 59 . 1 1 20 20 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 4869 1 60 . 1 1 21 21 PRO HA H 1 4.31 0.01 . 1 . . . . . . . . 4869 1 61 . 1 1 21 21 PRO HB2 H 1 2.26 0.01 . 1 . . . . . . . . 4869 1 62 . 1 1 21 21 PRO HB3 H 1 2.26 0.01 . 1 . . . . . . . . 4869 1 63 . 1 1 21 21 PRO HG2 H 1 1.57 0.01 . 1 . . . . . . . . 4869 1 64 . 1 1 21 21 PRO HG3 H 1 1.57 0.01 . 1 . . . . . . . . 4869 1 65 . 1 1 21 21 PRO HD2 H 1 3.09 0.01 . 2 . . . . . . . . 4869 1 66 . 1 1 21 21 PRO HD3 H 1 2.98 0.01 . 2 . . . . . . . . 4869 1 67 . 1 1 21 21 PRO CA C 13 59.7 0.1 . 1 . . . . . . . . 4869 1 68 . 1 1 21 21 PRO CB C 13 28.8 0.1 . 1 . . . . . . . . 4869 1 69 . 1 1 21 21 PRO CG C 13 23.5 0.1 . 1 . . . . . . . . 4869 1 70 . 1 1 21 21 PRO CD C 13 47.0 0.1 . 1 . . . . . . . . 4869 1 71 . 1 1 22 22 LYS H H 1 8.94 0.01 . 1 . . . . . . . . 4869 1 72 . 1 1 22 22 LYS HA H 1 4.22 0.01 . 1 . . . . . . . . 4869 1 73 . 1 1 22 22 LYS HB2 H 1 1.81 0.01 . 2 . . . . . . . . 4869 1 74 . 1 1 22 22 LYS HB3 H 1 1.73 0.01 . 2 . . . . . . . . 4869 1 75 . 1 1 22 22 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 4869 1 76 . 1 1 22 22 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 4869 1 77 . 1 1 22 22 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 4869 1 78 . 1 1 22 22 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 4869 1 79 . 1 1 22 22 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 4869 1 80 . 1 1 22 22 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 4869 1 81 . 1 1 22 22 LYS CA C 13 58.8 0.1 . 1 . . . . . . . . 4869 1 82 . 1 1 22 22 LYS CB C 13 29.4 0.1 . 1 . . . . . . . . 4869 1 83 . 1 1 22 22 LYS CG C 13 21.7 0.1 . 1 . . . . . . . . 4869 1 84 . 1 1 22 22 LYS N N 15 123.9 0.1 . 1 . . . . . . . . 4869 1 85 . 1 1 23 23 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 4869 1 86 . 1 1 23 23 ARG HA H 1 3.45 0.01 . 1 . . . . . . . . 4869 1 87 . 1 1 23 23 ARG HB2 H 1 1.55 0.01 . 1 . . . . . . . . 4869 1 88 . 1 1 23 23 ARG HB3 H 1 1.55 0.01 . 1 . . . . . . . . 4869 1 89 . 1 1 23 23 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 4869 1 90 . 1 1 23 23 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 4869 1 91 . 1 1 23 23 ARG HD2 H 1 3.03 0.01 . 1 . . . . . . . . 4869 1 92 . 1 1 23 23 ARG HD3 H 1 3.03 0.01 . 1 . . . . . . . . 4869 1 93 . 1 1 23 23 ARG CA C 13 53.5 0.1 . 1 . . . . . . . . 4869 1 94 . 1 1 23 23 ARG CB C 13 27.3 0.1 . 1 . . . . . . . . 4869 1 95 . 1 1 23 23 ARG CG C 13 24.1 0.1 . 1 . . . . . . . . 4869 1 96 . 1 1 23 23 ARG CD C 13 40.6 0.1 . 1 . . . . . . . . 4869 1 97 . 1 1 23 23 ARG N N 15 122.8 0.1 . 1 . . . . . . . . 4869 1 98 . 1 1 24 24 ALA H H 1 7.41 0.01 . 1 . . . . . . . . 4869 1 99 . 1 1 24 24 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 4869 1 100 . 1 1 24 24 ALA HB1 H 1 1.16 0.01 . 1 . . . . . . . . 4869 1 101 . 1 1 24 24 ALA HB2 H 1 1.16 0.01 . 1 . . . . . . . . 4869 1 102 . 1 1 24 24 ALA HB3 H 1 1.16 0.01 . 1 . . . . . . . . 4869 1 103 . 1 1 24 24 ALA CA C 13 48.5 0.1 . 1 . . . . . . . . 4869 1 104 . 1 1 24 24 ALA CB C 13 15.8 0.1 . 1 . . . . . . . . 4869 1 105 . 1 1 24 24 ALA N N 15 123.5 0.1 . 1 . . . . . . . . 4869 1 106 . 1 1 25 25 LEU H H 1 9.17 0.01 . 1 . . . . . . . . 4869 1 107 . 1 1 25 25 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 4869 1 108 . 1 1 25 25 LEU HB2 H 1 1.26 0.01 . 2 . . . . . . . . 4869 1 109 . 1 1 25 25 LEU HB3 H 1 0.83 0.01 . 2 . . . . . . . . 4869 1 110 . 1 1 25 25 LEU HG H 1 1.39 0.01 . 1 . . . . . . . . 4869 1 111 . 1 1 25 25 LEU HD11 H 1 0.27 0.01 . 2 . . . . . . . . 4869 1 112 . 1 1 25 25 LEU HD12 H 1 0.27 0.01 . 2 . . . . . . . . 4869 1 113 . 1 1 25 25 LEU HD13 H 1 0.27 0.01 . 2 . . . . . . . . 4869 1 114 . 1 1 25 25 LEU HD21 H 1 0.23 0.01 . 2 . . . . . . . . 4869 1 115 . 1 1 25 25 LEU HD22 H 1 0.23 0.01 . 2 . . . . . . . . 4869 1 116 . 1 1 25 25 LEU HD23 H 1 0.23 0.01 . 2 . . . . . . . . 4869 1 117 . 1 1 25 25 LEU CA C 13 51.4 0.1 . 1 . . . . . . . . 4869 1 118 . 1 1 25 25 LEU CB C 13 40.0 0.1 . 1 . . . . . . . . 4869 1 119 . 1 1 25 25 LEU CG C 13 24.0 0.1 . 1 . . . . . . . . 4869 1 120 . 1 1 25 25 LEU CD1 C 13 20.6 0.1 . 2 . . . . . . . . 4869 1 121 . 1 1 25 25 LEU CD2 C 13 21.4 0.1 . 2 . . . . . . . . 4869 1 122 . 1 1 25 25 LEU N N 15 125.3 0.1 . 1 . . . . . . . . 4869 1 123 . 1 1 26 26 SER H H 1 7.65 0.01 . 1 . . . . . . . . 4869 1 124 . 1 1 26 26 SER HA H 1 4.49 0.01 . 1 . . . . . . . . 4869 1 125 . 1 1 26 26 SER HB2 H 1 3.98 0.01 . 1 . . . . . . . . 4869 1 126 . 1 1 26 26 SER HB3 H 1 4.38 0.01 . 1 . . . . . . . . 4869 1 127 . 1 1 26 26 SER CA C 13 53.8 0.1 . 1 . . . . . . . . 4869 1 128 . 1 1 26 26 SER CB C 13 62.5 0.1 . 1 . . . . . . . . 4869 1 129 . 1 1 26 26 SER N N 15 116.3 0.1 . 1 . . . . . . . . 4869 1 130 . 1 1 27 27 ALA H H 1 9.04 0.01 . 1 . . . . . . . . 4869 1 131 . 1 1 27 27 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 4869 1 132 . 1 1 27 27 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 133 . 1 1 27 27 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 134 . 1 1 27 27 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 135 . 1 1 27 27 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . 4869 1 136 . 1 1 27 27 ALA CB C 13 15.4 0.1 . 1 . . . . . . . . 4869 1 137 . 1 1 27 27 ALA N N 15 123.4 0.1 . 1 . . . . . . . . 4869 1 138 . 1 1 28 28 TYR H H 1 8.32 0.01 . 1 . . . . . . . . 4869 1 139 . 1 1 28 28 TYR HA H 1 2.34 0.01 . 1 . . . . . . . . 4869 1 140 . 1 1 28 28 TYR HB2 H 1 2.09 0.01 . 2 . . . . . . . . 4869 1 141 . 1 1 28 28 TYR HB3 H 1 2.00 0.01 . 2 . . . . . . . . 4869 1 142 . 1 1 28 28 TYR HD1 H 1 6.06 0.01 . 1 . . . . . . . . 4869 1 143 . 1 1 28 28 TYR HD2 H 1 6.06 0.01 . 1 . . . . . . . . 4869 1 144 . 1 1 28 28 TYR HE1 H 1 6.48 0.01 . 1 . . . . . . . . 4869 1 145 . 1 1 28 28 TYR HE2 H 1 6.48 0.01 . 1 . . . . . . . . 4869 1 146 . 1 1 28 28 TYR CA C 13 57.0 0.1 . 1 . . . . . . . . 4869 1 147 . 1 1 28 28 TYR CB C 13 34.8 0.1 . 1 . . . . . . . . 4869 1 148 . 1 1 28 28 TYR CD1 C 13 130.4 0.1 . 1 . . . . . . . . 4869 1 149 . 1 1 28 28 TYR CD2 C 13 130.4 0.1 . 1 . . . . . . . . 4869 1 150 . 1 1 28 28 TYR CE1 C 13 114.7 0.1 . 1 . . . . . . . . 4869 1 151 . 1 1 28 28 TYR CE2 C 13 114.7 0.1 . 1 . . . . . . . . 4869 1 152 . 1 1 28 28 TYR N N 15 115.5 0.1 . 1 . . . . . . . . 4869 1 153 . 1 1 29 29 MET H H 1 7.46 0.01 . 1 . . . . . . . . 4869 1 154 . 1 1 29 29 MET HA H 1 3.64 0.01 . 1 . . . . . . . . 4869 1 155 . 1 1 29 29 MET HB2 H 1 2.58 0.01 . 2 . . . . . . . . 4869 1 156 . 1 1 29 29 MET HB3 H 1 2.47 0.01 . 2 . . . . . . . . 4869 1 157 . 1 1 29 29 MET HG2 H 1 1.70 0.01 . 2 . . . . . . . . 4869 1 158 . 1 1 29 29 MET HG3 H 1 1.98 0.01 . 2 . . . . . . . . 4869 1 159 . 1 1 29 29 MET HE1 H 1 1.92 0.01 . 1 . . . . . . . . 4869 1 160 . 1 1 29 29 MET HE2 H 1 1.92 0.01 . 1 . . . . . . . . 4869 1 161 . 1 1 29 29 MET HE3 H 1 1.92 0.01 . 1 . . . . . . . . 4869 1 162 . 1 1 29 29 MET CA C 13 55.4 0.1 . 1 . . . . . . . . 4869 1 163 . 1 1 29 29 MET CB C 13 29.9 0.1 . 1 . . . . . . . . 4869 1 164 . 1 1 29 29 MET CG C 13 30.5 0.1 . 1 . . . . . . . . 4869 1 165 . 1 1 29 29 MET CE C 13 14.4 0.1 . 1 . . . . . . . . 4869 1 166 . 1 1 29 29 MET N N 15 117.5 0.1 . 1 . . . . . . . . 4869 1 167 . 1 1 30 30 PHE H H 1 7.86 0.01 . 1 . . . . . . . . 4869 1 168 . 1 1 30 30 PHE HA H 1 4.09 0.01 . 1 . . . . . . . . 4869 1 169 . 1 1 30 30 PHE HB2 H 1 3.35 0.01 . 2 . . . . . . . . 4869 1 170 . 1 1 30 30 PHE HB3 H 1 3.26 0.01 . 2 . . . . . . . . 4869 1 171 . 1 1 30 30 PHE HD1 H 1 7.30 0.01 . 1 . . . . . . . . 4869 1 172 . 1 1 30 30 PHE HD2 H 1 7.30 0.01 . 1 . . . . . . . . 4869 1 173 . 1 1 30 30 PHE HE1 H 1 7.25 0.01 . 1 . . . . . . . . 4869 1 174 . 1 1 30 30 PHE HE2 H 1 7.25 0.01 . 1 . . . . . . . . 4869 1 175 . 1 1 30 30 PHE HZ H 1 7.05 0.01 . 1 . . . . . . . . 4869 1 176 . 1 1 30 30 PHE CA C 13 61.3 0.1 . 1 . . . . . . . . 4869 1 177 . 1 1 30 30 PHE CB C 13 36.8 0.1 . 1 . . . . . . . . 4869 1 178 . 1 1 30 30 PHE N N 15 117.2 0.1 . 1 . . . . . . . . 4869 1 179 . 1 1 31 31 PHE H H 1 7.71 0.01 . 1 . . . . . . . . 4869 1 180 . 1 1 31 31 PHE HA H 1 4.11 0.01 . 1 . . . . . . . . 4869 1 181 . 1 1 31 31 PHE HB2 H 1 3.52 0.01 . 2 . . . . . . . . 4869 1 182 . 1 1 31 31 PHE HB3 H 1 3.36 0.01 . 2 . . . . . . . . 4869 1 183 . 1 1 31 31 PHE HD1 H 1 6.60 0.01 . 1 . . . . . . . . 4869 1 184 . 1 1 31 31 PHE HD2 H 1 6.60 0.01 . 1 . . . . . . . . 4869 1 185 . 1 1 31 31 PHE HE1 H 1 7.50 0.01 . 1 . . . . . . . . 4869 1 186 . 1 1 31 31 PHE HE2 H 1 7.50 0.01 . 1 . . . . . . . . 4869 1 187 . 1 1 31 31 PHE HZ H 1 7.10 0.01 . 1 . . . . . . . . 4869 1 188 . 1 1 31 31 PHE CA C 13 58.7 0.1 . 1 . . . . . . . . 4869 1 189 . 1 1 31 31 PHE CB C 13 36.0 0.1 . 1 . . . . . . . . 4869 1 190 . 1 1 31 31 PHE CD1 C 13 129.5 0.1 . 1 . . . . . . . . 4869 1 191 . 1 1 31 31 PHE CD2 C 13 129.5 0.1 . 1 . . . . . . . . 4869 1 192 . 1 1 31 31 PHE CE1 C 13 129.6 0.1 . 1 . . . . . . . . 4869 1 193 . 1 1 31 31 PHE CE2 C 13 129.6 0.1 . 1 . . . . . . . . 4869 1 194 . 1 1 31 31 PHE CZ C 13 126.1 0.1 . 1 . . . . . . . . 4869 1 195 . 1 1 31 31 PHE N N 15 121.0 0.1 . 1 . . . . . . . . 4869 1 196 . 1 1 32 32 ALA H H 1 9.21 0.01 . 1 . . . . . . . . 4869 1 197 . 1 1 32 32 ALA HA H 1 3.40 0.01 . 1 . . . . . . . . 4869 1 198 . 1 1 32 32 ALA HB1 H 1 0.88 0.01 . 1 . . . . . . . . 4869 1 199 . 1 1 32 32 ALA HB2 H 1 0.88 0.01 . 1 . . . . . . . . 4869 1 200 . 1 1 32 32 ALA HB3 H 1 0.88 0.01 . 1 . . . . . . . . 4869 1 201 . 1 1 32 32 ALA CA C 13 52.2 0.1 . 1 . . . . . . . . 4869 1 202 . 1 1 32 32 ALA CB C 13 14.5 0.1 . 1 . . . . . . . . 4869 1 203 . 1 1 32 32 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 4869 1 204 . 1 1 33 33 ASN H H 1 8.23 0.01 . 1 . . . . . . . . 4869 1 205 . 1 1 33 33 ASN HA H 1 4.26 0.01 . 1 . . . . . . . . 4869 1 206 . 1 1 33 33 ASN HB2 H 1 2.76 0.01 . 2 . . . . . . . . 4869 1 207 . 1 1 33 33 ASN HB3 H 1 2.83 0.01 . 2 . . . . . . . . 4869 1 208 . 1 1 33 33 ASN HD21 H 1 6.59 0.01 . 1 . . . . . . . . 4869 1 209 . 1 1 33 33 ASN HD22 H 1 7.37 0.01 . 1 . . . . . . . . 4869 1 210 . 1 1 33 33 ASN CA C 13 52.4 0.1 . 1 . . . . . . . . 4869 1 211 . 1 1 33 33 ASN CB C 13 34.1 0.1 . 1 . . . . . . . . 4869 1 212 . 1 1 33 33 ASN N N 15 115.2 0.1 . 1 . . . . . . . . 4869 1 213 . 1 1 33 33 ASN ND2 N 15 110.8 0.1 . 1 . . . . . . . . 4869 1 214 . 1 1 34 34 GLU H H 1 7.57 0.01 . 1 . . . . . . . . 4869 1 215 . 1 1 34 34 GLU HA H 1 4.13 0.01 . 1 . . . . . . . . 4869 1 216 . 1 1 34 34 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4869 1 217 . 1 1 34 34 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4869 1 218 . 1 1 34 34 GLU HG2 H 1 2.21 0.01 . 2 . . . . . . . . 4869 1 219 . 1 1 34 34 GLU HG3 H 1 2.48 0.01 . 2 . . . . . . . . 4869 1 220 . 1 1 34 34 GLU CA C 13 54.4 0.1 . 1 . . . . . . . . 4869 1 221 . 1 1 34 34 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 4869 1 222 . 1 1 34 34 GLU CG C 13 33.0 0.1 . 1 . . . . . . . . 4869 1 223 . 1 1 34 34 GLU N N 15 116.9 0.1 . 1 . . . . . . . . 4869 1 224 . 1 1 35 35 ASN H H 1 7.37 0.01 . 1 . . . . . . . . 4869 1 225 . 1 1 35 35 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 4869 1 226 . 1 1 35 35 ASN HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4869 1 227 . 1 1 35 35 ASN HB3 H 1 1.54 0.01 . 2 . . . . . . . . 4869 1 228 . 1 1 35 35 ASN HD21 H 1 6.73 0.01 . 1 . . . . . . . . 4869 1 229 . 1 1 35 35 ASN HD22 H 1 6.60 0.01 . 1 . . . . . . . . 4869 1 230 . 1 1 35 35 ASN CA C 13 51.6 0.1 . 1 . . . . . . . . 4869 1 231 . 1 1 35 35 ASN CB C 13 38.1 0.1 . 1 . . . . . . . . 4869 1 232 . 1 1 35 35 ASN N N 15 113.4 0.1 . 1 . . . . . . . . 4869 1 233 . 1 1 35 35 ASN ND2 N 15 115.6 0.1 . 1 . . . . . . . . 4869 1 234 . 1 1 36 36 ARG H H 1 8.05 0.01 . 1 . . . . . . . . 4869 1 235 . 1 1 36 36 ARG HA H 1 4.32 0.01 . 1 . . . . . . . . 4869 1 236 . 1 1 36 36 ARG HB2 H 1 1.69 0.01 . 1 . . . . . . . . 4869 1 237 . 1 1 36 36 ARG HB3 H 1 1.69 0.01 . 1 . . . . . . . . 4869 1 238 . 1 1 36 36 ARG HG2 H 1 1.43 0.01 . 1 . . . . . . . . 4869 1 239 . 1 1 36 36 ARG HG3 H 1 1.43 0.01 . 1 . . . . . . . . 4869 1 240 . 1 1 36 36 ARG HD2 H 1 3.12 0.01 . 1 . . . . . . . . 4869 1 241 . 1 1 36 36 ARG HD3 H 1 3.12 0.01 . 1 . . . . . . . . 4869 1 242 . 1 1 36 36 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 4869 1 243 . 1 1 36 36 ARG CA C 13 58.3 0.1 . 1 . . . . . . . . 4869 1 244 . 1 1 36 36 ARG CB C 13 26.2 0.1 . 1 . . . . . . . . 4869 1 245 . 1 1 36 36 ARG N N 15 123.5 0.1 . 1 . . . . . . . . 4869 1 246 . 1 1 37 37 ASP H H 1 8.55 0.01 . 1 . . . . . . . . 4869 1 247 . 1 1 37 37 ASP HA H 1 4.41 0.01 . 1 . . . . . . . . 4869 1 248 . 1 1 37 37 ASP HB2 H 1 2.54 0.01 . 2 . . . . . . . . 4869 1 249 . 1 1 37 37 ASP HB3 H 1 2.61 0.01 . 2 . . . . . . . . 4869 1 250 . 1 1 37 37 ASP CA C 13 54.0 0.1 . 1 . . . . . . . . 4869 1 251 . 1 1 37 37 ASP CB C 13 36.6 0.1 . 1 . . . . . . . . 4869 1 252 . 1 1 37 37 ASP N N 15 116.3 0.1 . 1 . . . . . . . . 4869 1 253 . 1 1 38 38 ILE H H 1 7.47 0.01 . 1 . . . . . . . . 4869 1 254 . 1 1 38 38 ILE HA H 1 3.81 0.01 . 1 . . . . . . . . 4869 1 255 . 1 1 38 38 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 4869 1 256 . 1 1 38 38 ILE HG12 H 1 1.13 0.01 . 2 . . . . . . . . 4869 1 257 . 1 1 38 38 ILE HG13 H 1 1.53 0.01 . 2 . . . . . . . . 4869 1 258 . 1 1 38 38 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 4869 1 259 . 1 1 38 38 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 4869 1 260 . 1 1 38 38 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 4869 1 261 . 1 1 38 38 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 4869 1 262 . 1 1 38 38 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 4869 1 263 . 1 1 38 38 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 4869 1 264 . 1 1 38 38 ILE CA C 13 61.3 0.1 . 1 . . . . . . . . 4869 1 265 . 1 1 38 38 ILE CB C 13 35.0 0.1 . 1 . . . . . . . . 4869 1 266 . 1 1 38 38 ILE CG1 C 13 25.5 0.1 . 1 . . . . . . . . 4869 1 267 . 1 1 38 38 ILE CG2 C 13 14.0 0.1 . 1 . . . . . . . . 4869 1 268 . 1 1 38 38 ILE CD1 C 13 10.0 0.1 . 1 . . . . . . . . 4869 1 269 . 1 1 38 38 ILE N N 15 122.1 0.1 . 1 . . . . . . . . 4869 1 270 . 1 1 39 39 VAL H H 1 7.76 0.01 . 1 . . . . . . . . 4869 1 271 . 1 1 39 39 VAL HA H 1 3.69 0.01 . 1 . . . . . . . . 4869 1 272 . 1 1 39 39 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 4869 1 273 . 1 1 39 39 VAL HG11 H 1 0.91 0.01 . 1 . . . . . . . . 4869 1 274 . 1 1 39 39 VAL HG12 H 1 0.91 0.01 . 1 . . . . . . . . 4869 1 275 . 1 1 39 39 VAL HG13 H 1 0.91 0.01 . 1 . . . . . . . . 4869 1 276 . 1 1 39 39 VAL HG21 H 1 0.91 0.01 . 1 . . . . . . . . 4869 1 277 . 1 1 39 39 VAL HG22 H 1 0.91 0.01 . 1 . . . . . . . . 4869 1 278 . 1 1 39 39 VAL HG23 H 1 0.91 0.01 . 1 . . . . . . . . 4869 1 279 . 1 1 39 39 VAL CA C 13 63.2 0.1 . 1 . . . . . . . . 4869 1 280 . 1 1 39 39 VAL CB C 13 28.3 0.1 . 1 . . . . . . . . 4869 1 281 . 1 1 39 39 VAL CG1 C 13 19.9 0.1 . 1 . . . . . . . . 4869 1 282 . 1 1 39 39 VAL CG2 C 13 19.9 0.1 . 1 . . . . . . . . 4869 1 283 . 1 1 39 39 VAL N N 15 120.0 0.1 . 1 . . . . . . . . 4869 1 284 . 1 1 40 40 ARG H H 1 8.29 0.01 . 1 . . . . . . . . 4869 1 285 . 1 1 40 40 ARG HA H 1 3.91 0.01 . 1 . . . . . . . . 4869 1 286 . 1 1 40 40 ARG HB2 H 1 1.87 0.01 . 1 . . . . . . . . 4869 1 287 . 1 1 40 40 ARG HB3 H 1 1.87 0.01 . 1 . . . . . . . . 4869 1 288 . 1 1 40 40 ARG HG2 H 1 1.53 0.01 . 2 . . . . . . . . 4869 1 289 . 1 1 40 40 ARG HG3 H 1 1.74 0.01 . 2 . . . . . . . . 4869 1 290 . 1 1 40 40 ARG HD2 H 1 3.13 0.01 . 1 . . . . . . . . 4869 1 291 . 1 1 40 40 ARG HD3 H 1 3.13 0.01 . 1 . . . . . . . . 4869 1 292 . 1 1 40 40 ARG HE H 1 7.21 0.01 . 1 . . . . . . . . 4869 1 293 . 1 1 40 40 ARG CA C 13 56.4 0.1 . 1 . . . . . . . . 4869 1 294 . 1 1 40 40 ARG CB C 13 27.0 0.1 . 1 . . . . . . . . 4869 1 295 . 1 1 40 40 ARG CG C 13 24.5 0.1 . 1 . . . . . . . . 4869 1 296 . 1 1 40 40 ARG CD C 13 40.4 0.1 . 1 . . . . . . . . 4869 1 297 . 1 1 40 40 ARG N N 15 119.4 0.1 . 1 . . . . . . . . 4869 1 298 . 1 1 41 41 SER H H 1 7.94 0.01 . 1 . . . . . . . . 4869 1 299 . 1 1 41 41 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 4869 1 300 . 1 1 41 41 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 4869 1 301 . 1 1 41 41 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 4869 1 302 . 1 1 41 41 SER CA C 13 58.3 0.1 . 1 . . . . . . . . 4869 1 303 . 1 1 41 41 SER CB C 13 59.8 0.1 . 1 . . . . . . . . 4869 1 304 . 1 1 41 41 SER N N 15 113.8 0.1 . 1 . . . . . . . . 4869 1 305 . 1 1 42 42 GLU H H 1 7.69 0.01 . 1 . . . . . . . . 4869 1 306 . 1 1 42 42 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 4869 1 307 . 1 1 42 42 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4869 1 308 . 1 1 42 42 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4869 1 309 . 1 1 42 42 GLU HG2 H 1 2.23 0.01 . 2 . . . . . . . . 4869 1 310 . 1 1 42 42 GLU HG3 H 1 2.57 0.01 . 2 . . . . . . . . 4869 1 311 . 1 1 42 42 GLU CA C 13 54.0 0.1 . 1 . . . . . . . . 4869 1 312 . 1 1 42 42 GLU CB C 13 27.6 0.1 . 1 . . . . . . . . 4869 1 313 . 1 1 42 42 GLU CG C 13 34.2 0.1 . 1 . . . . . . . . 4869 1 314 . 1 1 42 42 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 4869 1 315 . 1 1 43 43 ASN H H 1 7.36 0.01 . 1 . . . . . . . . 4869 1 316 . 1 1 43 43 ASN HA H 1 5.15 0.01 . 1 . . . . . . . . 4869 1 317 . 1 1 43 43 ASN HB2 H 1 2.45 0.01 . 2 . . . . . . . . 4869 1 318 . 1 1 43 43 ASN HB3 H 1 2.66 0.01 . 2 . . . . . . . . 4869 1 319 . 1 1 43 43 ASN HD21 H 1 7.57 0.01 . 1 . . . . . . . . 4869 1 320 . 1 1 43 43 ASN HD22 H 1 8.05 0.01 . 1 . . . . . . . . 4869 1 321 . 1 1 43 43 ASN CA C 13 48.0 0.1 . 1 . . . . . . . . 4869 1 322 . 1 1 43 43 ASN CB C 13 38.2 0.1 . 1 . . . . . . . . 4869 1 323 . 1 1 43 43 ASN N N 15 115.1 0.1 . 1 . . . . . . . . 4869 1 324 . 1 1 44 44 PRO HA H 1 4.40 0.01 . 1 . . . . . . . . 4869 1 325 . 1 1 44 44 PRO HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4869 1 326 . 1 1 44 44 PRO HB3 H 1 2.25 0.01 . 2 . . . . . . . . 4869 1 327 . 1 1 44 44 PRO HG2 H 1 1.92 0.01 . 1 . . . . . . . . 4869 1 328 . 1 1 44 44 PRO HG3 H 1 1.92 0.01 . 1 . . . . . . . . 4869 1 329 . 1 1 44 44 PRO HD2 H 1 3.42 0.01 . 2 . . . . . . . . 4869 1 330 . 1 1 44 44 PRO HD3 H 1 3.65 0.01 . 2 . . . . . . . . 4869 1 331 . 1 1 44 44 PRO CA C 13 61.4 0.1 . 1 . . . . . . . . 4869 1 332 . 1 1 44 44 PRO CB C 13 29.1 0.1 . 1 . . . . . . . . 4869 1 333 . 1 1 44 44 PRO CG C 13 24.5 0.1 . 1 . . . . . . . . 4869 1 334 . 1 1 44 44 PRO CD C 13 47.1 0.1 . 1 . . . . . . . . 4869 1 335 . 1 1 45 45 ASP H H 1 8.49 0.01 . 1 . . . . . . . . 4869 1 336 . 1 1 45 45 ASP HA H 1 4.61 0.01 . 1 . . . . . . . . 4869 1 337 . 1 1 45 45 ASP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 4869 1 338 . 1 1 45 45 ASP HB3 H 1 2.62 0.01 . 2 . . . . . . . . 4869 1 339 . 1 1 45 45 ASP CA C 13 51.4 0.1 . 1 . . . . . . . . 4869 1 340 . 1 1 45 45 ASP CB C 13 37.5 0.1 . 1 . . . . . . . . 4869 1 341 . 1 1 45 45 ASP N N 15 115.4 0.1 . 1 . . . . . . . . 4869 1 342 . 1 1 46 46 ILE H H 1 7.15 0.01 . 1 . . . . . . . . 4869 1 343 . 1 1 46 46 ILE HA H 1 4.46 0.01 . 1 . . . . . . . . 4869 1 344 . 1 1 46 46 ILE HB H 1 2.09 0.01 . 1 . . . . . . . . 4869 1 345 . 1 1 46 46 ILE HG12 H 1 1.48 0.01 . 1 . . . . . . . . 4869 1 346 . 1 1 46 46 ILE HG13 H 1 1.48 0.01 . 1 . . . . . . . . 4869 1 347 . 1 1 46 46 ILE HG21 H 1 0.82 0.01 . 1 . . . . . . . . 4869 1 348 . 1 1 46 46 ILE HG22 H 1 0.82 0.01 . 1 . . . . . . . . 4869 1 349 . 1 1 46 46 ILE HG23 H 1 0.82 0.01 . 1 . . . . . . . . 4869 1 350 . 1 1 46 46 ILE HD11 H 1 0.59 0.01 . 1 . . . . . . . . 4869 1 351 . 1 1 46 46 ILE HD12 H 1 0.59 0.01 . 1 . . . . . . . . 4869 1 352 . 1 1 46 46 ILE HD13 H 1 0.59 0.01 . 1 . . . . . . . . 4869 1 353 . 1 1 46 46 ILE CA C 13 58.3 0.1 . 1 . . . . . . . . 4869 1 354 . 1 1 46 46 ILE CB C 13 35.3 0.1 . 1 . . . . . . . . 4869 1 355 . 1 1 46 46 ILE CG1 C 13 22.4 0.1 . 1 . . . . . . . . 4869 1 356 . 1 1 46 46 ILE CG2 C 13 14.0 0.1 . 1 . . . . . . . . 4869 1 357 . 1 1 46 46 ILE CD1 C 13 11.4 0.1 . 1 . . . . . . . . 4869 1 358 . 1 1 46 46 ILE N N 15 115.4 0.1 . 1 . . . . . . . . 4869 1 359 . 1 1 47 47 THR H H 1 8.27 0.01 . 1 . . . . . . . . 4869 1 360 . 1 1 47 47 THR HA H 1 4.40 0.01 . 1 . . . . . . . . 4869 1 361 . 1 1 47 47 THR HB H 1 4.61 0.01 . 1 . . . . . . . . 4869 1 362 . 1 1 47 47 THR HG21 H 1 1.25 0.01 . 1 . . . . . . . . 4869 1 363 . 1 1 47 47 THR HG22 H 1 1.25 0.01 . 1 . . . . . . . . 4869 1 364 . 1 1 47 47 THR HG23 H 1 1.25 0.01 . 1 . . . . . . . . 4869 1 365 . 1 1 47 47 THR CA C 13 57.0 0.1 . 1 . . . . . . . . 4869 1 366 . 1 1 47 47 THR CB C 13 68.0 0.1 . 1 . . . . . . . . 4869 1 367 . 1 1 47 47 THR CG2 C 13 18.6 0.1 . 1 . . . . . . . . 4869 1 368 . 1 1 47 47 THR N N 15 113.4 0.1 . 1 . . . . . . . . 4869 1 369 . 1 1 48 48 PHE H H 1 8.88 0.01 . 1 . . . . . . . . 4869 1 370 . 1 1 48 48 PHE HA H 1 4.20 0.01 . 1 . . . . . . . . 4869 1 371 . 1 1 48 48 PHE HB2 H 1 3.05 0.01 . 2 . . . . . . . . 4869 1 372 . 1 1 48 48 PHE HB3 H 1 3.19 0.01 . 2 . . . . . . . . 4869 1 373 . 1 1 48 48 PHE HD1 H 1 7.24 0.01 . 1 . . . . . . . . 4869 1 374 . 1 1 48 48 PHE HD2 H 1 7.24 0.01 . 1 . . . . . . . . 4869 1 375 . 1 1 48 48 PHE HE1 H 1 7.25 0.01 . 1 . . . . . . . . 4869 1 376 . 1 1 48 48 PHE HE2 H 1 7.25 0.01 . 1 . . . . . . . . 4869 1 377 . 1 1 48 48 PHE HZ H 1 7.28 0.01 . 1 . . . . . . . . 4869 1 378 . 1 1 48 48 PHE CA C 13 58.0 0.1 . 1 . . . . . . . . 4869 1 379 . 1 1 48 48 PHE CB C 13 35.7 0.1 . 1 . . . . . . . . 4869 1 380 . 1 1 48 48 PHE N N 15 120.5 0.1 . 1 . . . . . . . . 4869 1 381 . 1 1 49 49 GLY H H 1 8.88 0.01 . 1 . . . . . . . . 4869 1 382 . 1 1 49 49 GLY HA2 H 1 3.89 0.01 . 2 . . . . . . . . 4869 1 383 . 1 1 49 49 GLY HA3 H 1 3.81 0.01 . 2 . . . . . . . . 4869 1 384 . 1 1 49 49 GLY CA C 13 43.5 0.1 . 1 . . . . . . . . 4869 1 385 . 1 1 49 49 GLY N N 15 107.3 0.1 . 1 . . . . . . . . 4869 1 386 . 1 1 50 50 GLN H H 1 7.75 0.01 . 1 . . . . . . . . 4869 1 387 . 1 1 50 50 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 4869 1 388 . 1 1 50 50 GLN HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4869 1 389 . 1 1 50 50 GLN HB3 H 1 2.07 0.01 . 1 . . . . . . . . 4869 1 390 . 1 1 50 50 GLN HG2 H 1 2.32 0.01 . 2 . . . . . . . . 4869 1 391 . 1 1 50 50 GLN HG3 H 1 2.39 0.01 . 2 . . . . . . . . 4869 1 392 . 1 1 50 50 GLN HE21 H 1 7.50 0.01 . 1 . . . . . . . . 4869 1 393 . 1 1 50 50 GLN HE22 H 1 6.89 0.01 . 1 . . . . . . . . 4869 1 394 . 1 1 50 50 GLN CA C 13 54.3 0.1 . 1 . . . . . . . . 4869 1 395 . 1 1 50 50 GLN CB C 13 26.2 0.1 . 1 . . . . . . . . 4869 1 396 . 1 1 50 50 GLN CG C 13 32.7 0.1 . 1 . . . . . . . . 4869 1 397 . 1 1 50 50 GLN N N 15 121.5 0.1 . 1 . . . . . . . . 4869 1 398 . 1 1 50 50 GLN NE2 N 15 111.5 0.1 . 1 . . . . . . . . 4869 1 399 . 1 1 51 51 VAL H H 1 8.23 0.01 . 1 . . . . . . . . 4869 1 400 . 1 1 51 51 VAL HA H 1 3.38 0.01 . 1 . . . . . . . . 4869 1 401 . 1 1 51 51 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 4869 1 402 . 1 1 51 51 VAL HG11 H 1 0.90 0.01 . 2 . . . . . . . . 4869 1 403 . 1 1 51 51 VAL HG12 H 1 0.90 0.01 . 2 . . . . . . . . 4869 1 404 . 1 1 51 51 VAL HG13 H 1 0.90 0.01 . 2 . . . . . . . . 4869 1 405 . 1 1 51 51 VAL HG21 H 1 0.78 0.01 . 2 . . . . . . . . 4869 1 406 . 1 1 51 51 VAL HG22 H 1 0.78 0.01 . 2 . . . . . . . . 4869 1 407 . 1 1 51 51 VAL HG23 H 1 0.78 0.01 . 2 . . . . . . . . 4869 1 408 . 1 1 51 51 VAL CA C 13 63.9 0.1 . 1 . . . . . . . . 4869 1 409 . 1 1 51 51 VAL CB C 13 28.3 0.1 . 1 . . . . . . . . 4869 1 410 . 1 1 51 51 VAL CG1 C 13 20.6 0.1 . 1 . . . . . . . . 4869 1 411 . 1 1 51 51 VAL CG2 C 13 18.5 0.1 . 1 . . . . . . . . 4869 1 412 . 1 1 51 51 VAL N N 15 122.7 0.1 . 1 . . . . . . . . 4869 1 413 . 1 1 52 52 GLY H H 1 7.82 0.01 . 1 . . . . . . . . 4869 1 414 . 1 1 52 52 GLY HA2 H 1 3.92 0.01 . 2 . . . . . . . . 4869 1 415 . 1 1 52 52 GLY HA3 H 1 3.71 0.01 . 2 . . . . . . . . 4869 1 416 . 1 1 52 52 GLY CA C 13 44.6 0.1 . 1 . . . . . . . . 4869 1 417 . 1 1 52 52 GLY N N 15 104.9 0.1 . 1 . . . . . . . . 4869 1 418 . 1 1 53 53 LYS H H 1 7.62 0.01 . 1 . . . . . . . . 4869 1 419 . 1 1 53 53 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 4869 1 420 . 1 1 53 53 LYS HB2 H 1 1.85 0.01 . 1 . . . . . . . . 4869 1 421 . 1 1 53 53 LYS HB3 H 1 1.85 0.01 . 1 . . . . . . . . 4869 1 422 . 1 1 53 53 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 4869 1 423 . 1 1 53 53 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 4869 1 424 . 1 1 53 53 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 4869 1 425 . 1 1 53 53 LYS CB C 13 29.4 0.1 . 1 . . . . . . . . 4869 1 426 . 1 1 53 53 LYS CG C 13 23.8 0.1 . 1 . . . . . . . . 4869 1 427 . 1 1 53 53 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 4869 1 428 . 1 1 54 54 LYS H H 1 7.99 0.01 . 1 . . . . . . . . 4869 1 429 . 1 1 54 54 LYS HA H 1 4.19 0.01 . 1 . . . . . . . . 4869 1 430 . 1 1 54 54 LYS HB2 H 1 1.93 0.01 . 2 . . . . . . . . 4869 1 431 . 1 1 54 54 LYS HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4869 1 432 . 1 1 54 54 LYS HG2 H 1 1.45 0.01 . 1 . . . . . . . . 4869 1 433 . 1 1 54 54 LYS HG3 H 1 1.45 0.01 . 1 . . . . . . . . 4869 1 434 . 1 1 54 54 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 4869 1 435 . 1 1 54 54 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 4869 1 436 . 1 1 54 54 LYS CA C 13 56.0 0.1 . 1 . . . . . . . . 4869 1 437 . 1 1 54 54 LYS CB C 13 29.3 0.1 . 1 . . . . . . . . 4869 1 438 . 1 1 54 54 LYS CG C 13 22.3 0.1 . 1 . . . . . . . . 4869 1 439 . 1 1 54 54 LYS N N 15 119.8 0.1 . 1 . . . . . . . . 4869 1 440 . 1 1 55 55 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 4869 1 441 . 1 1 55 55 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 4869 1 442 . 1 1 55 55 LEU HB2 H 1 2.27 0.01 . 1 . . . . . . . . 4869 1 443 . 1 1 55 55 LEU HB3 H 1 2.27 0.01 . 1 . . . . . . . . 4869 1 444 . 1 1 55 55 LEU HG H 1 1.72 0.01 . 1 . . . . . . . . 4869 1 445 . 1 1 55 55 LEU HD11 H 1 0.69 0.01 . 2 . . . . . . . . 4869 1 446 . 1 1 55 55 LEU HD12 H 1 0.69 0.01 . 2 . . . . . . . . 4869 1 447 . 1 1 55 55 LEU HD13 H 1 0.69 0.01 . 2 . . . . . . . . 4869 1 448 . 1 1 55 55 LEU HD21 H 1 0.56 0.01 . 2 . . . . . . . . 4869 1 449 . 1 1 55 55 LEU HD22 H 1 0.56 0.01 . 2 . . . . . . . . 4869 1 450 . 1 1 55 55 LEU HD23 H 1 0.56 0.01 . 2 . . . . . . . . 4869 1 451 . 1 1 55 55 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 4869 1 452 . 1 1 55 55 LEU CB C 13 39.5 0.1 . 1 . . . . . . . . 4869 1 453 . 1 1 55 55 LEU CG C 13 23.6 0.1 . 1 . . . . . . . . 4869 1 454 . 1 1 55 55 LEU CD1 C 13 23.1 0.1 . 2 . . . . . . . . 4869 1 455 . 1 1 55 55 LEU CD2 C 13 21.4 0.1 . 2 . . . . . . . . 4869 1 456 . 1 1 55 55 LEU N N 15 121.0 0.1 . 1 . . . . . . . . 4869 1 457 . 1 1 56 56 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 4869 1 458 . 1 1 56 56 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 4869 1 459 . 1 1 56 56 GLY HA3 H 1 3.86 0.01 . 2 . . . . . . . . 4869 1 460 . 1 1 56 56 GLY CA C 13 44.7 0.1 . 1 . . . . . . . . 4869 1 461 . 1 1 56 56 GLY N N 15 106.5 0.1 . 1 . . . . . . . . 4869 1 462 . 1 1 57 57 GLU H H 1 7.95 0.01 . 1 . . . . . . . . 4869 1 463 . 1 1 57 57 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 4869 1 464 . 1 1 57 57 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4869 1 465 . 1 1 57 57 GLU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 4869 1 466 . 1 1 57 57 GLU HG2 H 1 2.39 0.01 . 2 . . . . . . . . 4869 1 467 . 1 1 57 57 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 4869 1 468 . 1 1 57 57 GLU CA C 13 56.0 0.1 . 1 . . . . . . . . 4869 1 469 . 1 1 57 57 GLU CB C 13 26.3 0.1 . 1 . . . . . . . . 4869 1 470 . 1 1 57 57 GLU CG C 13 33.3 0.1 . 1 . . . . . . . . 4869 1 471 . 1 1 57 57 GLU N N 15 122.0 0.1 . 1 . . . . . . . . 4869 1 472 . 1 1 58 58 LYS H H 1 8.35 0.01 . 1 . . . . . . . . 4869 1 473 . 1 1 58 58 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 4869 1 474 . 1 1 58 58 LYS HB2 H 1 2.15 0.01 . 2 . . . . . . . . 4869 1 475 . 1 1 58 58 LYS HB3 H 1 1.97 0.01 . 2 . . . . . . . . 4869 1 476 . 1 1 58 58 LYS HG2 H 1 1.56 0.01 . 1 . . . . . . . . 4869 1 477 . 1 1 58 58 LYS HG3 H 1 1.56 0.01 . 1 . . . . . . . . 4869 1 478 . 1 1 58 58 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 4869 1 479 . 1 1 58 58 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 4869 1 480 . 1 1 58 58 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 4869 1 481 . 1 1 58 58 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 4869 1 482 . 1 1 58 58 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 4869 1 483 . 1 1 58 58 LYS CB C 13 29.6 0.1 . 1 . . . . . . . . 4869 1 484 . 1 1 58 58 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 4869 1 485 . 1 1 59 59 TRP H H 1 8.44 0.01 . 1 . . . . . . . . 4869 1 486 . 1 1 59 59 TRP HA H 1 3.68 0.01 . 1 . . . . . . . . 4869 1 487 . 1 1 59 59 TRP HB2 H 1 3.29 0.01 . 2 . . . . . . . . 4869 1 488 . 1 1 59 59 TRP HB3 H 1 3.17 0.01 . 2 . . . . . . . . 4869 1 489 . 1 1 59 59 TRP HD1 H 1 7.01 0.01 . 1 . . . . . . . . 4869 1 490 . 1 1 59 59 TRP HE1 H 1 10.12 0.01 . 1 . . . . . . . . 4869 1 491 . 1 1 59 59 TRP HE3 H 1 5.99 0.01 . 1 . . . . . . . . 4869 1 492 . 1 1 59 59 TRP HZ2 H 1 7.50 0.01 . 1 . . . . . . . . 4869 1 493 . 1 1 59 59 TRP HZ3 H 1 6.44 0.01 . 1 . . . . . . . . 4869 1 494 . 1 1 59 59 TRP HH2 H 1 6.99 0.01 . 1 . . . . . . . . 4869 1 495 . 1 1 59 59 TRP CA C 13 56.8 0.1 . 1 . . . . . . . . 4869 1 496 . 1 1 59 59 TRP CB C 13 27.3 0.1 . 1 . . . . . . . . 4869 1 497 . 1 1 59 59 TRP CD1 C 13 124.5 0.1 . 1 . . . . . . . . 4869 1 498 . 1 1 59 59 TRP CE3 C 13 118.9 0.1 . 1 . . . . . . . . 4869 1 499 . 1 1 59 59 TRP CZ2 C 13 111.4 0.1 . 1 . . . . . . . . 4869 1 500 . 1 1 59 59 TRP CZ3 C 13 118.9 0.1 . 1 . . . . . . . . 4869 1 501 . 1 1 59 59 TRP CH2 C 13 121.3 0.1 . 1 . . . . . . . . 4869 1 502 . 1 1 59 59 TRP N N 15 119.1 0.1 . 1 . . . . . . . . 4869 1 503 . 1 1 59 59 TRP NE1 N 15 127.7 0.1 . 1 . . . . . . . . 4869 1 504 . 1 1 60 60 LYS H H 1 7.61 0.01 . 1 . . . . . . . . 4869 1 505 . 1 1 60 60 LYS HA H 1 3.72 0.01 . 1 . . . . . . . . 4869 1 506 . 1 1 60 60 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 4869 1 507 . 1 1 60 60 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 4869 1 508 . 1 1 60 60 LYS HG2 H 1 1.44 0.01 . 2 . . . . . . . . 4869 1 509 . 1 1 60 60 LYS HG3 H 1 1.54 0.01 . 2 . . . . . . . . 4869 1 510 . 1 1 60 60 LYS HD2 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 511 . 1 1 60 60 LYS HD3 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 512 . 1 1 60 60 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 4869 1 513 . 1 1 60 60 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 4869 1 514 . 1 1 60 60 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 4869 1 515 . 1 1 60 60 LYS CB C 13 29.6 0.1 . 1 . . . . . . . . 4869 1 516 . 1 1 60 60 LYS CG C 13 22.7 0.1 . 1 . . . . . . . . 4869 1 517 . 1 1 60 60 LYS CD C 13 27.0 0.1 . 1 . . . . . . . . 4869 1 518 . 1 1 60 60 LYS CE C 13 39.0 0.1 . 1 . . . . . . . . 4869 1 519 . 1 1 60 60 LYS N N 15 115.2 0.1 . 1 . . . . . . . . 4869 1 520 . 1 1 61 61 ALA H H 1 7.11 0.01 . 1 . . . . . . . . 4869 1 521 . 1 1 61 61 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 4869 1 522 . 1 1 61 61 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 4869 1 523 . 1 1 61 61 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 4869 1 524 . 1 1 61 61 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 4869 1 525 . 1 1 61 61 ALA CA C 13 49.1 0.1 . 1 . . . . . . . . 4869 1 526 . 1 1 61 61 ALA CB C 13 16.2 0.1 . 1 . . . . . . . . 4869 1 527 . 1 1 61 61 ALA N N 15 117.4 0.1 . 1 . . . . . . . . 4869 1 528 . 1 1 62 62 LEU H H 1 7.01 0.01 . 1 . . . . . . . . 4869 1 529 . 1 1 62 62 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 4869 1 530 . 1 1 62 62 LEU HB2 H 1 1.20 0.01 . 1 . . . . . . . . 4869 1 531 . 1 1 62 62 LEU HB3 H 1 1.20 0.01 . 1 . . . . . . . . 4869 1 532 . 1 1 62 62 LEU HG H 1 1.88 0.01 . 1 . . . . . . . . 4869 1 533 . 1 1 62 62 LEU HD11 H 1 0.72 0.01 . 2 . . . . . . . . 4869 1 534 . 1 1 62 62 LEU HD12 H 1 0.72 0.01 . 2 . . . . . . . . 4869 1 535 . 1 1 62 62 LEU HD13 H 1 0.72 0.01 . 2 . . . . . . . . 4869 1 536 . 1 1 62 62 LEU HD21 H 1 0.50 0.01 . 2 . . . . . . . . 4869 1 537 . 1 1 62 62 LEU HD22 H 1 0.50 0.01 . 2 . . . . . . . . 4869 1 538 . 1 1 62 62 LEU HD23 H 1 0.50 0.01 . 2 . . . . . . . . 4869 1 539 . 1 1 62 62 LEU CA C 13 52.0 0.1 . 1 . . . . . . . . 4869 1 540 . 1 1 62 62 LEU CB C 13 39.2 0.1 . 1 . . . . . . . . 4869 1 541 . 1 1 62 62 LEU CG C 13 23.0 0.1 . 1 . . . . . . . . 4869 1 542 . 1 1 62 62 LEU CD1 C 13 19.2 0.1 . 2 . . . . . . . . 4869 1 543 . 1 1 62 62 LEU CD2 C 13 23.8 0.1 . 2 . . . . . . . . 4869 1 544 . 1 1 62 62 LEU N N 15 119.8 0.1 . 1 . . . . . . . . 4869 1 545 . 1 1 63 63 THR H H 1 8.91 0.01 . 1 . . . . . . . . 4869 1 546 . 1 1 63 63 THR HA H 1 4.42 0.01 . 1 . . . . . . . . 4869 1 547 . 1 1 63 63 THR HB H 1 4.72 0.01 . 1 . . . . . . . . 4869 1 548 . 1 1 63 63 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . 4869 1 549 . 1 1 63 63 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . 4869 1 550 . 1 1 63 63 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . 4869 1 551 . 1 1 63 63 THR CA C 13 57.5 0.1 . 1 . . . . . . . . 4869 1 552 . 1 1 63 63 THR CB C 13 65.5 0.1 . 1 . . . . . . . . 4869 1 553 . 1 1 63 63 THR CG2 C 13 18.9 0.1 . 1 . . . . . . . . 4869 1 554 . 1 1 63 63 THR N N 15 114.4 0.1 . 1 . . . . . . . . 4869 1 555 . 1 1 64 64 PRO HA H 1 4.00 0.01 . 1 . . . . . . . . 4869 1 556 . 1 1 64 64 PRO HB2 H 1 2.31 0.01 . 1 . . . . . . . . 4869 1 557 . 1 1 64 64 PRO HB3 H 1 2.31 0.01 . 1 . . . . . . . . 4869 1 558 . 1 1 64 64 PRO HG2 H 1 1.94 0.01 . 2 . . . . . . . . 4869 1 559 . 1 1 64 64 PRO HG3 H 1 1.86 0.01 . 2 . . . . . . . . 4869 1 560 . 1 1 64 64 PRO HD2 H 1 3.80 0.01 . 1 . . . . . . . . 4869 1 561 . 1 1 64 64 PRO HD3 H 1 3.80 0.01 . 1 . . . . . . . . 4869 1 562 . 1 1 64 64 PRO CA C 13 63.5 0.1 . 1 . . . . . . . . 4869 1 563 . 1 1 64 64 PRO CB C 13 28.8 0.1 . 1 . . . . . . . . 4869 1 564 . 1 1 64 64 PRO CG C 13 24.2 0.1 . 1 . . . . . . . . 4869 1 565 . 1 1 64 64 PRO CD C 13 47.1 0.1 . 1 . . . . . . . . 4869 1 566 . 1 1 65 65 GLU H H 1 8.70 0.01 . 1 . . . . . . . . 4869 1 567 . 1 1 65 65 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 4869 1 568 . 1 1 65 65 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 4869 1 569 . 1 1 65 65 GLU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 4869 1 570 . 1 1 65 65 GLU HG2 H 1 2.20 0.01 . 1 . . . . . . . . 4869 1 571 . 1 1 65 65 GLU HG3 H 1 2.20 0.01 . 1 . . . . . . . . 4869 1 572 . 1 1 65 65 GLU CA C 13 58.3 0.1 . 1 . . . . . . . . 4869 1 573 . 1 1 65 65 GLU CB C 13 25.6 0.1 . 1 . . . . . . . . 4869 1 574 . 1 1 65 65 GLU CG C 13 33.7 0.1 . 1 . . . . . . . . 4869 1 575 . 1 1 65 65 GLU N N 15 116.0 0.1 . 1 . . . . . . . . 4869 1 576 . 1 1 66 66 GLU H H 1 7.62 0.01 . 1 . . . . . . . . 4869 1 577 . 1 1 66 66 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 4869 1 578 . 1 1 66 66 GLU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4869 1 579 . 1 1 66 66 GLU HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4869 1 580 . 1 1 66 66 GLU HG2 H 1 2.27 0.01 . 2 . . . . . . . . 4869 1 581 . 1 1 66 66 GLU HG3 H 1 2.34 0.01 . 2 . . . . . . . . 4869 1 582 . 1 1 66 66 GLU CA C 13 56.0 0.1 . 1 . . . . . . . . 4869 1 583 . 1 1 66 66 GLU CB C 13 27.5 0.1 . 1 . . . . . . . . 4869 1 584 . 1 1 66 66 GLU CG C 13 33.9 0.1 . 1 . . . . . . . . 4869 1 585 . 1 1 66 66 GLU N N 15 119.0 0.1 . 1 . . . . . . . . 4869 1 586 . 1 1 67 67 LYS H H 1 7.90 0.01 . 1 . . . . . . . . 4869 1 587 . 1 1 67 67 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 4869 1 588 . 1 1 67 67 LYS HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 589 . 1 1 67 67 LYS HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 590 . 1 1 67 67 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 4869 1 591 . 1 1 67 67 LYS CB C 13 31.0 0.1 . 1 . . . . . . . . 4869 1 592 . 1 1 67 67 LYS N N 15 115.9 0.1 . 1 . . . . . . . . 4869 1 593 . 1 1 68 68 GLN H H 1 7.46 0.01 . 1 . . . . . . . . 4869 1 594 . 1 1 68 68 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 4869 1 595 . 1 1 68 68 GLN HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4869 1 596 . 1 1 68 68 GLN HB3 H 1 1.54 0.01 . 2 . . . . . . . . 4869 1 597 . 1 1 68 68 GLN HG2 H 1 2.46 0.01 . 2 . . . . . . . . 4869 1 598 . 1 1 68 68 GLN HG3 H 1 2.55 0.01 . 2 . . . . . . . . 4869 1 599 . 1 1 68 68 GLN HE21 H 1 7.47 0.01 . 1 . . . . . . . . 4869 1 600 . 1 1 68 68 GLN HE22 H 1 6.85 0.01 . 1 . . . . . . . . 4869 1 601 . 1 1 68 68 GLN CA C 13 56.6 0.1 . 1 . . . . . . . . 4869 1 602 . 1 1 68 68 GLN CB C 13 27.1 0.1 . 1 . . . . . . . . 4869 1 603 . 1 1 68 68 GLN CG C 13 30.6 0.1 . 1 . . . . . . . . 4869 1 604 . 1 1 68 68 GLN N N 15 118.9 0.1 . 1 . . . . . . . . 4869 1 605 . 1 1 68 68 GLN NE2 N 15 111.0 0.1 . 1 . . . . . . . . 4869 1 606 . 1 1 69 69 PRO HA H 1 4.21 0.01 . 1 . . . . . . . . 4869 1 607 . 1 1 69 69 PRO HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4869 1 608 . 1 1 69 69 PRO HB3 H 1 1.41 0.01 . 2 . . . . . . . . 4869 1 609 . 1 1 69 69 PRO HG2 H 1 1.80 0.01 . 2 . . . . . . . . 4869 1 610 . 1 1 69 69 PRO HG3 H 1 1.83 0.01 . 2 . . . . . . . . 4869 1 611 . 1 1 69 69 PRO HD2 H 1 3.83 0.01 . 2 . . . . . . . . 4869 1 612 . 1 1 69 69 PRO HD3 H 1 3.72 0.01 . 2 . . . . . . . . 4869 1 613 . 1 1 69 69 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 4869 1 614 . 1 1 69 69 PRO CB C 13 28.0 0.1 . 1 . . . . . . . . 4869 1 615 . 1 1 69 69 PRO CD C 13 46.9 0.1 . 1 . . . . . . . . 4869 1 616 . 1 1 70 70 TYR H H 1 7.15 0.01 . 1 . . . . . . . . 4869 1 617 . 1 1 70 70 TYR HA H 1 4.08 0.01 . 1 . . . . . . . . 4869 1 618 . 1 1 70 70 TYR HB2 H 1 3.36 0.01 . 2 . . . . . . . . 4869 1 619 . 1 1 70 70 TYR HB3 H 1 3.80 0.01 . 2 . . . . . . . . 4869 1 620 . 1 1 70 70 TYR HD1 H 1 7.32 0.01 . 1 . . . . . . . . 4869 1 621 . 1 1 70 70 TYR HD2 H 1 7.32 0.01 . 1 . . . . . . . . 4869 1 622 . 1 1 70 70 TYR HE1 H 1 7.09 0.01 . 1 . . . . . . . . 4869 1 623 . 1 1 70 70 TYR HE2 H 1 7.09 0.01 . 1 . . . . . . . . 4869 1 624 . 1 1 70 70 TYR CA C 13 59.0 0.1 . 1 . . . . . . . . 4869 1 625 . 1 1 70 70 TYR CB C 13 35.6 0.1 . 1 . . . . . . . . 4869 1 626 . 1 1 70 70 TYR CD1 C 13 129.0 0.1 . 1 . . . . . . . . 4869 1 627 . 1 1 70 70 TYR CD2 C 13 129.0 0.1 . 1 . . . . . . . . 4869 1 628 . 1 1 70 70 TYR CE1 C 13 114.7 0.1 . 1 . . . . . . . . 4869 1 629 . 1 1 70 70 TYR CE2 C 13 114.7 0.1 . 1 . . . . . . . . 4869 1 630 . 1 1 70 70 TYR N N 15 116.2 0.1 . 1 . . . . . . . . 4869 1 631 . 1 1 71 71 GLU H H 1 8.16 0.01 . 1 . . . . . . . . 4869 1 632 . 1 1 71 71 GLU HA H 1 4.21 0.01 . 1 . . . . . . . . 4869 1 633 . 1 1 71 71 GLU HB2 H 1 2.16 0.01 . 2 . . . . . . . . 4869 1 634 . 1 1 71 71 GLU HB3 H 1 2.25 0.01 . 2 . . . . . . . . 4869 1 635 . 1 1 71 71 GLU HG2 H 1 2.38 0.01 . 1 . . . . . . . . 4869 1 636 . 1 1 71 71 GLU HG3 H 1 2.38 0.01 . 1 . . . . . . . . 4869 1 637 . 1 1 71 71 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 4869 1 638 . 1 1 71 71 GLU CB C 13 25.6 0.1 . 1 . . . . . . . . 4869 1 639 . 1 1 71 71 GLU CG C 13 32.5 0.1 . 1 . . . . . . . . 4869 1 640 . 1 1 71 71 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 4869 1 641 . 1 1 72 72 ALA H H 1 8.66 0.01 . 1 . . . . . . . . 4869 1 642 . 1 1 72 72 ALA HA H 1 4.16 0.01 . 1 . . . . . . . . 4869 1 643 . 1 1 72 72 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 4869 1 644 . 1 1 72 72 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 4869 1 645 . 1 1 72 72 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4869 1 646 . 1 1 72 72 ALA CA C 13 52.4 0.1 . 1 . . . . . . . . 4869 1 647 . 1 1 72 72 ALA CB C 13 14.6 0.1 . 1 . . . . . . . . 4869 1 648 . 1 1 72 72 ALA N N 15 122.5 0.1 . 1 . . . . . . . . 4869 1 649 . 1 1 73 73 LYS H H 1 7.31 0.01 . 1 . . . . . . . . 4869 1 650 . 1 1 73 73 LYS HA H 1 3.65 0.01 . 1 . . . . . . . . 4869 1 651 . 1 1 73 73 LYS HB2 H 1 1.19 0.01 . 2 . . . . . . . . 4869 1 652 . 1 1 73 73 LYS HB3 H 1 0.21 0.01 . 2 . . . . . . . . 4869 1 653 . 1 1 73 73 LYS HG2 H 1 1.30 0.01 . 2 . . . . . . . . 4869 1 654 . 1 1 73 73 LYS HG3 H 1 0.96 0.01 . 2 . . . . . . . . 4869 1 655 . 1 1 73 73 LYS HD2 H 1 0.11 0.01 . 2 . . . . . . . . 4869 1 656 . 1 1 73 73 LYS HD3 H 1 1.16 0.01 . 2 . . . . . . . . 4869 1 657 . 1 1 73 73 LYS HE2 H 1 2.68 0.01 . 1 . . . . . . . . 4869 1 658 . 1 1 73 73 LYS HE3 H 1 2.68 0.01 . 1 . . . . . . . . 4869 1 659 . 1 1 73 73 LYS CA C 13 57.0 0.1 . 1 . . . . . . . . 4869 1 660 . 1 1 73 73 LYS CB C 13 27.8 0.1 . 1 . . . . . . . . 4869 1 661 . 1 1 73 73 LYS CG C 13 23.3 0.1 . 1 . . . . . . . . 4869 1 662 . 1 1 73 73 LYS CD C 13 27.9 0.1 . 1 . . . . . . . . 4869 1 663 . 1 1 73 73 LYS CE C 13 38.9 0.1 . 1 . . . . . . . . 4869 1 664 . 1 1 73 73 LYS N N 15 119.6 0.1 . 1 . . . . . . . . 4869 1 665 . 1 1 74 74 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 4869 1 666 . 1 1 74 74 ALA HA H 1 4.38 0.01 . 1 . . . . . . . . 4869 1 667 . 1 1 74 74 ALA HB1 H 1 1.71 0.01 . 1 . . . . . . . . 4869 1 668 . 1 1 74 74 ALA HB2 H 1 1.71 0.01 . 1 . . . . . . . . 4869 1 669 . 1 1 74 74 ALA HB3 H 1 1.71 0.01 . 1 . . . . . . . . 4869 1 670 . 1 1 74 74 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 4869 1 671 . 1 1 74 74 ALA CB C 13 15.4 0.1 . 1 . . . . . . . . 4869 1 672 . 1 1 74 74 ALA N N 15 123.4 0.1 . 1 . . . . . . . . 4869 1 673 . 1 1 75 75 GLN H H 1 8.60 0.01 . 1 . . . . . . . . 4869 1 674 . 1 1 75 75 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 4869 1 675 . 1 1 75 75 GLN HB2 H 1 2.19 0.01 . 1 . . . . . . . . 4869 1 676 . 1 1 75 75 GLN HB3 H 1 2.19 0.01 . 1 . . . . . . . . 4869 1 677 . 1 1 75 75 GLN HG2 H 1 2.51 0.01 . 2 . . . . . . . . 4869 1 678 . 1 1 75 75 GLN HG3 H 1 2.56 0.01 . 2 . . . . . . . . 4869 1 679 . 1 1 75 75 GLN HE21 H 1 7.59 0.01 . 1 . . . . . . . . 4869 1 680 . 1 1 75 75 GLN HE22 H 1 6.91 0.01 . 1 . . . . . . . . 4869 1 681 . 1 1 75 75 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 4869 1 682 . 1 1 75 75 GLN CB C 13 25.0 0.1 . 1 . . . . . . . . 4869 1 683 . 1 1 75 75 GLN CG C 13 31.0 0.1 . 1 . . . . . . . . 4869 1 684 . 1 1 75 75 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 4869 1 685 . 1 1 75 75 GLN NE2 N 15 110.5 0.1 . 1 . . . . . . . . 4869 1 686 . 1 1 76 76 ALA H H 1 7.90 0.01 . 1 . . . . . . . . 4869 1 687 . 1 1 76 76 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 4869 1 688 . 1 1 76 76 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4869 1 689 . 1 1 76 76 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4869 1 690 . 1 1 76 76 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4869 1 691 . 1 1 76 76 ALA CA C 13 51.8 0.1 . 1 . . . . . . . . 4869 1 692 . 1 1 76 76 ALA CB C 13 14.7 0.1 . 1 . . . . . . . . 4869 1 693 . 1 1 76 76 ALA N N 15 121.8 0.1 . 1 . . . . . . . . 4869 1 694 . 1 1 77 77 ASP H H 1 8.46 0.01 . 1 . . . . . . . . 4869 1 695 . 1 1 77 77 ASP HA H 1 4.93 0.01 . 1 . . . . . . . . 4869 1 696 . 1 1 77 77 ASP HB2 H 1 3.05 0.01 . 2 . . . . . . . . 4869 1 697 . 1 1 77 77 ASP HB3 H 1 3.09 0.01 . 2 . . . . . . . . 4869 1 698 . 1 1 77 77 ASP CA C 13 54.8 0.1 . 1 . . . . . . . . 4869 1 699 . 1 1 77 77 ASP CB C 13 39.0 0.1 . 1 . . . . . . . . 4869 1 700 . 1 1 77 77 ASP N N 15 120.9 0.1 . 1 . . . . . . . . 4869 1 701 . 1 1 78 78 LYS H H 1 8.18 0.01 . 1 . . . . . . . . 4869 1 702 . 1 1 78 78 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 4869 1 703 . 1 1 78 78 LYS HB2 H 1 2.06 0.01 . 2 . . . . . . . . 4869 1 704 . 1 1 78 78 LYS HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4869 1 705 . 1 1 78 78 LYS CA C 13 57.3 0.1 . 1 . . . . . . . . 4869 1 706 . 1 1 78 78 LYS CB C 13 29.1 0.1 . 1 . . . . . . . . 4869 1 707 . 1 1 78 78 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 4869 1 708 . 1 1 79 79 LYS H H 1 7.45 0.01 . 1 . . . . . . . . 4869 1 709 . 1 1 79 79 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 4869 1 710 . 1 1 79 79 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4869 1 711 . 1 1 79 79 LYS HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4869 1 712 . 1 1 79 79 LYS HG2 H 1 1.57 0.01 . 1 . . . . . . . . 4869 1 713 . 1 1 79 79 LYS HG3 H 1 1.57 0.01 . 1 . . . . . . . . 4869 1 714 . 1 1 79 79 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 4869 1 715 . 1 1 79 79 LYS CB C 13 29.0 0.1 . 1 . . . . . . . . 4869 1 716 . 1 1 79 79 LYS CG C 13 22.0 0.1 . 1 . . . . . . . . 4869 1 717 . 1 1 79 79 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 4869 1 718 . 1 1 80 80 ARG H H 1 7.96 0.01 . 1 . . . . . . . . 4869 1 719 . 1 1 80 80 ARG HA H 1 4.12 0.01 . 1 . . . . . . . . 4869 1 720 . 1 1 80 80 ARG HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4869 1 721 . 1 1 80 80 ARG HB3 H 1 2.52 0.01 . 2 . . . . . . . . 4869 1 722 . 1 1 80 80 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 4869 1 723 . 1 1 80 80 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 4869 1 724 . 1 1 80 80 ARG HE H 1 7.08 0.01 . 1 . . . . . . . . 4869 1 725 . 1 1 80 80 ARG CA C 13 56.2 0.1 . 1 . . . . . . . . 4869 1 726 . 1 1 80 80 ARG CB C 13 29.2 0.1 . 1 . . . . . . . . 4869 1 727 . 1 1 80 80 ARG N N 15 121.7 0.1 . 1 . . . . . . . . 4869 1 728 . 1 1 81 81 TYR H H 1 8.58 0.01 . 1 . . . . . . . . 4869 1 729 . 1 1 81 81 TYR HA H 1 4.03 0.01 . 1 . . . . . . . . 4869 1 730 . 1 1 81 81 TYR HB2 H 1 3.14 0.01 . 1 . . . . . . . . 4869 1 731 . 1 1 81 81 TYR HB3 H 1 3.14 0.01 . 1 . . . . . . . . 4869 1 732 . 1 1 81 81 TYR HD1 H 1 7.18 0.01 . 1 . . . . . . . . 4869 1 733 . 1 1 81 81 TYR HD2 H 1 7.18 0.01 . 1 . . . . . . . . 4869 1 734 . 1 1 81 81 TYR HE1 H 1 6.66 0.01 . 1 . . . . . . . . 4869 1 735 . 1 1 81 81 TYR HE2 H 1 6.66 0.01 . 1 . . . . . . . . 4869 1 736 . 1 1 81 81 TYR CA C 13 59.3 0.1 . 1 . . . . . . . . 4869 1 737 . 1 1 81 81 TYR CB C 13 35.8 0.1 . 1 . . . . . . . . 4869 1 738 . 1 1 81 81 TYR CD1 C 13 131.5 0.1 . 1 . . . . . . . . 4869 1 739 . 1 1 81 81 TYR CD2 C 13 131.5 0.1 . 1 . . . . . . . . 4869 1 740 . 1 1 81 81 TYR CE1 C 13 114.8 0.1 . 1 . . . . . . . . 4869 1 741 . 1 1 81 81 TYR CE2 C 13 114.8 0.1 . 1 . . . . . . . . 4869 1 742 . 1 1 81 81 TYR N N 15 120.8 0.1 . 1 . . . . . . . . 4869 1 743 . 1 1 82 82 GLU H H 1 8.56 0.01 . 1 . . . . . . . . 4869 1 744 . 1 1 82 82 GLU HA H 1 3.67 0.01 . 1 . . . . . . . . 4869 1 745 . 1 1 82 82 GLU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 4869 1 746 . 1 1 82 82 GLU HB3 H 1 2.14 0.01 . 2 . . . . . . . . 4869 1 747 . 1 1 82 82 GLU HG2 H 1 2.41 0.01 . 1 . . . . . . . . 4869 1 748 . 1 1 82 82 GLU HG3 H 1 2.41 0.01 . 1 . . . . . . . . 4869 1 749 . 1 1 82 82 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 4869 1 750 . 1 1 82 82 GLU CB C 13 26.5 0.1 . 1 . . . . . . . . 4869 1 751 . 1 1 82 82 GLU CG C 13 33.4 0.1 . 1 . . . . . . . . 4869 1 752 . 1 1 82 82 GLU N N 15 116.9 0.1 . 1 . . . . . . . . 4869 1 753 . 1 1 83 83 SER H H 1 8.12 0.01 . 1 . . . . . . . . 4869 1 754 . 1 1 83 83 SER HA H 1 4.29 0.01 . 1 . . . . . . . . 4869 1 755 . 1 1 83 83 SER HB2 H 1 4.00 0.01 . 1 . . . . . . . . 4869 1 756 . 1 1 83 83 SER HB3 H 1 4.00 0.01 . 1 . . . . . . . . 4869 1 757 . 1 1 83 83 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 4869 1 758 . 1 1 83 83 SER CB C 13 60.0 0.1 . 1 . . . . . . . . 4869 1 759 . 1 1 83 83 SER N N 15 114.5 0.1 . 1 . . . . . . . . 4869 1 760 . 1 1 84 84 GLU H H 1 8.37 0.01 . 1 . . . . . . . . 4869 1 761 . 1 1 84 84 GLU HA H 1 3.97 0.01 . 1 . . . . . . . . 4869 1 762 . 1 1 84 84 GLU HB2 H 1 1.88 0.01 . 2 . . . . . . . . 4869 1 763 . 1 1 84 84 GLU HB3 H 1 1.37 0.01 . 2 . . . . . . . . 4869 1 764 . 1 1 84 84 GLU HG2 H 1 2.20 0.01 . 2 . . . . . . . . 4869 1 765 . 1 1 84 84 GLU HG3 H 1 2.40 0.01 . 2 . . . . . . . . 4869 1 766 . 1 1 84 84 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 4869 1 767 . 1 1 84 84 GLU CB C 13 27.3 0.1 . 1 . . . . . . . . 4869 1 768 . 1 1 84 84 GLU CG C 13 33.0 0.1 . 1 . . . . . . . . 4869 1 769 . 1 1 84 84 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 4869 1 770 . 1 1 85 85 LYS H H 1 8.80 0.01 . 1 . . . . . . . . 4869 1 771 . 1 1 85 85 LYS HA H 1 3.75 0.01 . 1 . . . . . . . . 4869 1 772 . 1 1 85 85 LYS HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 773 . 1 1 85 85 LYS HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4869 1 774 . 1 1 85 85 LYS HG2 H 1 1.21 0.01 . 1 . . . . . . . . 4869 1 775 . 1 1 85 85 LYS HG3 H 1 1.21 0.01 . 1 . . . . . . . . 4869 1 776 . 1 1 85 85 LYS HD2 H 1 1.85 0.01 . 1 . . . . . . . . 4869 1 777 . 1 1 85 85 LYS HD3 H 1 1.85 0.01 . 1 . . . . . . . . 4869 1 778 . 1 1 85 85 LYS HE2 H 1 2.86 0.01 . 1 . . . . . . . . 4869 1 779 . 1 1 85 85 LYS HE3 H 1 2.86 0.01 . 1 . . . . . . . . 4869 1 780 . 1 1 85 85 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 4869 1 781 . 1 1 85 85 LYS CB C 13 28.8 0.1 . 1 . . . . . . . . 4869 1 782 . 1 1 85 85 LYS CG C 13 21.5 0.1 . 1 . . . . . . . . 4869 1 783 . 1 1 85 85 LYS CD C 13 24.5 0.1 . 1 . . . . . . . . 4869 1 784 . 1 1 85 85 LYS CE C 13 38.0 0.1 . 1 . . . . . . . . 4869 1 785 . 1 1 85 85 LYS N N 15 121.4 0.1 . 1 . . . . . . . . 4869 1 786 . 1 1 86 86 GLU H H 1 7.69 0.01 . 1 . . . . . . . . 4869 1 787 . 1 1 86 86 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 4869 1 788 . 1 1 86 86 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4869 1 789 . 1 1 86 86 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 4869 1 790 . 1 1 86 86 GLU HG2 H 1 2.30 0.01 . 2 . . . . . . . . 4869 1 791 . 1 1 86 86 GLU HG3 H 1 2.37 0.01 . 2 . . . . . . . . 4869 1 792 . 1 1 86 86 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 4869 1 793 . 1 1 86 86 GLU CB C 13 26.5 0.1 . 1 . . . . . . . . 4869 1 794 . 1 1 86 86 GLU CG C 13 33.1 0.1 . 1 . . . . . . . . 4869 1 795 . 1 1 86 86 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 4869 1 796 . 1 1 87 87 LEU H H 1 7.44 0.01 . 1 . . . . . . . . 4869 1 797 . 1 1 87 87 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 4869 1 798 . 1 1 87 87 LEU HB2 H 1 1.73 0.01 . 2 . . . . . . . . 4869 1 799 . 1 1 87 87 LEU HB3 H 1 1.57 0.01 . 2 . . . . . . . . 4869 1 800 . 1 1 87 87 LEU HG H 1 1.66 0.01 . 1 . . . . . . . . 4869 1 801 . 1 1 87 87 LEU HD11 H 1 0.84 0.01 . 1 . . . . . . . . 4869 1 802 . 1 1 87 87 LEU HD12 H 1 0.84 0.01 . 1 . . . . . . . . 4869 1 803 . 1 1 87 87 LEU HD13 H 1 0.84 0.01 . 1 . . . . . . . . 4869 1 804 . 1 1 87 87 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 4869 1 805 . 1 1 87 87 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 4869 1 806 . 1 1 87 87 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 4869 1 807 . 1 1 87 87 LEU CA C 13 54.4 0.1 . 1 . . . . . . . . 4869 1 808 . 1 1 87 87 LEU CB C 13 39.0 0.1 . 1 . . . . . . . . 4869 1 809 . 1 1 87 87 LEU CG C 13 24.2 0.1 . 1 . . . . . . . . 4869 1 810 . 1 1 87 87 LEU CD1 C 13 20.8 0.1 . 1 . . . . . . . . 4869 1 811 . 1 1 87 87 LEU CD2 C 13 20.8 0.1 . 1 . . . . . . . . 4869 1 812 . 1 1 87 87 LEU N N 15 119.2 0.1 . 1 . . . . . . . . 4869 1 813 . 1 1 88 88 TYR H H 1 8.20 0.01 . 1 . . . . . . . . 4869 1 814 . 1 1 88 88 TYR HA H 1 4.23 0.01 . 1 . . . . . . . . 4869 1 815 . 1 1 88 88 TYR HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4869 1 816 . 1 1 88 88 TYR HB3 H 1 3.09 0.01 . 2 . . . . . . . . 4869 1 817 . 1 1 88 88 TYR HD1 H 1 7.05 0.01 . 1 . . . . . . . . 4869 1 818 . 1 1 88 88 TYR HD2 H 1 7.05 0.01 . 1 . . . . . . . . 4869 1 819 . 1 1 88 88 TYR HE1 H 1 6.71 0.01 . 1 . . . . . . . . 4869 1 820 . 1 1 88 88 TYR HE2 H 1 6.71 0.01 . 1 . . . . . . . . 4869 1 821 . 1 1 88 88 TYR CA C 13 57.4 0.1 . 1 . . . . . . . . 4869 1 822 . 1 1 88 88 TYR CB C 13 36.0 0.1 . 1 . . . . . . . . 4869 1 823 . 1 1 88 88 TYR CD1 C 13 130.6 0.1 . 1 . . . . . . . . 4869 1 824 . 1 1 88 88 TYR CD2 C 13 130.6 0.1 . 1 . . . . . . . . 4869 1 825 . 1 1 88 88 TYR CE1 C 13 115.3 0.1 . 1 . . . . . . . . 4869 1 826 . 1 1 88 88 TYR CE2 C 13 115.3 0.1 . 1 . . . . . . . . 4869 1 827 . 1 1 88 88 TYR N N 15 120.4 0.1 . 1 . . . . . . . . 4869 1 828 . 1 1 89 89 ASN H H 1 8.43 0.01 . 1 . . . . . . . . 4869 1 829 . 1 1 89 89 ASN HA H 1 4.35 0.01 . 1 . . . . . . . . 4869 1 830 . 1 1 89 89 ASN HB2 H 1 2.78 0.01 . 1 . . . . . . . . 4869 1 831 . 1 1 89 89 ASN HB3 H 1 2.78 0.01 . 1 . . . . . . . . 4869 1 832 . 1 1 89 89 ASN HD21 H 1 7.58 0.01 . 1 . . . . . . . . 4869 1 833 . 1 1 89 89 ASN HD22 H 1 6.77 0.01 . 1 . . . . . . . . 4869 1 834 . 1 1 89 89 ASN CA C 13 51.4 0.1 . 1 . . . . . . . . 4869 1 835 . 1 1 89 89 ASN CB C 13 35.2 0.1 . 1 . . . . . . . . 4869 1 836 . 1 1 89 89 ASN N N 15 118.2 0.1 . 1 . . . . . . . . 4869 1 837 . 1 1 89 89 ASN ND2 N 15 110.0 0.1 . 1 . . . . . . . . 4869 1 838 . 1 1 90 90 ALA H H 1 7.62 0.01 . 1 . . . . . . . . 4869 1 839 . 1 1 90 90 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 4869 1 840 . 1 1 90 90 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 4869 1 841 . 1 1 90 90 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4869 1 842 . 1 1 90 90 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4869 1 843 . 1 1 90 90 ALA CA C 13 51.3 0.1 . 1 . . . . . . . . 4869 1 844 . 1 1 90 90 ALA CB C 13 15.9 0.1 . 1 . . . . . . . . 4869 1 845 . 1 1 90 90 ALA N N 15 121.7 0.1 . 1 . . . . . . . . 4869 1 846 . 1 1 91 91 THR H H 1 7.75 0.01 . 1 . . . . . . . . 4869 1 847 . 1 1 91 91 THR HA H 1 4.23 0.01 . 1 . . . . . . . . 4869 1 848 . 1 1 91 91 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 4869 1 849 . 1 1 91 91 THR HG21 H 1 1.19 0.01 . 1 . . . . . . . . 4869 1 850 . 1 1 91 91 THR HG22 H 1 1.19 0.01 . 1 . . . . . . . . 4869 1 851 . 1 1 91 91 THR HG23 H 1 1.19 0.01 . 1 . . . . . . . . 4869 1 852 . 1 1 91 91 THR CA C 13 59.7 0.1 . 1 . . . . . . . . 4869 1 853 . 1 1 91 91 THR CB C 13 66.7 0.1 . 1 . . . . . . . . 4869 1 854 . 1 1 91 91 THR CG2 C 13 18.4 0.1 . 1 . . . . . . . . 4869 1 855 . 1 1 91 91 THR N N 15 110.0 0.1 . 1 . . . . . . . . 4869 1 856 . 1 1 92 92 LEU H H 1 7.52 0.01 . 1 . . . . . . . . 4869 1 857 . 1 1 92 92 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . 4869 1 858 . 1 1 92 92 LEU HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4869 1 859 . 1 1 92 92 LEU HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4869 1 860 . 1 1 92 92 LEU HG H 1 1.47 0.01 . 1 . . . . . . . . 4869 1 861 . 1 1 92 92 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 4869 1 862 . 1 1 92 92 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 4869 1 863 . 1 1 92 92 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 4869 1 864 . 1 1 92 92 LEU HD21 H 1 0.68 0.01 . 2 . . . . . . . . 4869 1 865 . 1 1 92 92 LEU HD22 H 1 0.68 0.01 . 2 . . . . . . . . 4869 1 866 . 1 1 92 92 LEU HD23 H 1 0.68 0.01 . 2 . . . . . . . . 4869 1 867 . 1 1 92 92 LEU CA C 13 52.0 0.1 . 1 . . . . . . . . 4869 1 868 . 1 1 92 92 LEU CB C 13 39.4 0.1 . 1 . . . . . . . . 4869 1 869 . 1 1 92 92 LEU CG C 13 23.3 0.1 . 1 . . . . . . . . 4869 1 870 . 1 1 92 92 LEU CD1 C 13 22.2 0.1 . 2 . . . . . . . . 4869 1 871 . 1 1 92 92 LEU CD2 C 13 20.0 0.1 . 2 . . . . . . . . 4869 1 872 . 1 1 92 92 LEU N N 15 123.4 0.1 . 1 . . . . . . . . 4869 1 873 . 1 1 93 93 ALA H H 1 7.62 0.01 . 1 . . . . . . . . 4869 1 874 . 1 1 93 93 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 4869 1 875 . 1 1 93 93 ALA HB1 H 1 1.25 0.01 . 1 . . . . . . . . 4869 1 876 . 1 1 93 93 ALA HB2 H 1 1.25 0.01 . 1 . . . . . . . . 4869 1 877 . 1 1 93 93 ALA HB3 H 1 1.25 0.01 . 1 . . . . . . . . 4869 1 878 . 1 1 93 93 ALA CA C 13 50.8 0.1 . 1 . . . . . . . . 4869 1 879 . 1 1 93 93 ALA CB C 13 16.0 0.1 . 1 . . . . . . . . 4869 1 880 . 1 1 93 93 ALA N N 15 129.3 0.1 . 1 . . . . . . . . 4869 1 stop_ save_