data_5805 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5805 _Entry.Title ; NMR Structure of an Archaeal Homologue of RNase P Protein Rpp29 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-05-21 _Entry.Accession_date 2003-05-21 _Entry.Last_release_date . _Entry.Original_release_date . _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 David Sidote . J. . 5805 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5805 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 5805 '1H chemical shifts' 590 5805 '15N chemical shifts' 84 5805 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-12-07 2003-05-21 update BMRB 'delete outliers: 10 LEU N 8.24, 18 LEU N 8.27' 5805 1 . . 2004-02-11 2003-05-21 original author 'original release' 5805 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5805 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14622001 _Citation.Full_citation . _Citation.Title 'NMR Structure of an Archaeal Homologue of RNase P Protein Rpp29' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 46 _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 13541 _Citation.Page_last 13550 _Citation.Year 2003 _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 David Sidote . J. . 5805 1 2 D. Hoffman . W. . 5805 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNase P' 5805 1 'RNA binding protein' 5805 1 Rpp29 5805 1 POP4 5805 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Rpp29 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Rpp29 _Assembly.Entry_ID 5805 _Assembly.ID 1 _Assembly.Name Rpp29 _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 5805 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 Rpp29 1 $Rpp29 . . . native . . . . . 5805 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Rpp29 system 5805 1 Rpp29 abbreviation 5805 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rpp29 _Entity.Sf_category entity _Entity.Sf_framecode Rpp29 _Entity.Entry_ID 5805 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNase P protein Rpp29' _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 ; MRGRLQGVALIARDWIGLMV EVVESPNHSEVGIKGEVVDE TQNTLKIMTEKGLKVVAKRG RTFRVWYKGKIMRIKGDLIN FRPEDRIKRGLMMLKRAKGV WI ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11747 _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 1PC0 . "Nmr Structure Of The Archaeal Homologue Of Rnase P Protein Rpp29" . . . . . 59.80 61 100.00 100.00 2.16e-33 . . . . 5805 1 2 no PDB 1TSF . "Crystal Structure Of The Archaeal Homolog Of Human Rnase P Protein Rpp29 From Archaeoglobus Fulgidus" . . . . . 100.00 102 99.02 99.02 2.01e-63 . . . . 5805 1 3 no GB AAB89336 . "conserved hypothetical protein [Archaeoglobus fulgidus DSM 4304]" . . . . . 100.00 102 99.02 99.02 2.01e-63 . . . . 5805 1 4 no GB AIG98912 . "RNase P/RNase MRP subunit p29 [Archaeoglobus fulgidus DSM 8774]" . . . . . 100.00 102 99.02 99.02 2.01e-63 . . . . 5805 1 5 no REF NP_070742 . "hypothetical protein AF1917 [Archaeoglobus fulgidus DSM 4304]" . . . . . 100.00 102 99.02 99.02 2.01e-63 . . . . 5805 1 6 no REF WP_010879410 . "ribonuclease P [Archaeoglobus fulgidus]" . . . . . 100.00 102 99.02 99.02 2.01e-63 . . . . 5805 1 7 no SP O28362 . "RecName: Full=Ribonuclease P protein component 1; Short=RNase P component 1; AltName: Full=Rpp29; AltName: Full=aRpp29 [Archaeo" . . . . . 100.00 102 99.02 99.02 2.01e-63 . . . . 5805 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNase P protein Rpp29' common 5805 1 Rpp29 abbreviation 5805 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 . 5805 1 2 . ARG . 5805 1 3 . GLY . 5805 1 4 . ARG . 5805 1 5 . LEU . 5805 1 6 . GLN . 5805 1 7 . GLY . 5805 1 8 . VAL . 5805 1 9 . ALA . 5805 1 10 . LEU . 5805 1 11 . ILE . 5805 1 12 . ALA . 5805 1 13 . ARG . 5805 1 14 . ASP . 5805 1 15 . TRP . 5805 1 16 . ILE . 5805 1 17 . GLY . 5805 1 18 . LEU . 5805 1 19 . MET . 5805 1 20 . VAL . 5805 1 21 . GLU . 5805 1 22 . VAL . 5805 1 23 . VAL . 5805 1 24 . GLU . 5805 1 25 . SER . 5805 1 26 . PRO . 5805 1 27 . ASN . 5805 1 28 . HIS . 5805 1 29 . SER . 5805 1 30 . GLU . 5805 1 31 . VAL . 5805 1 32 . GLY . 5805 1 33 . ILE . 5805 1 34 . LYS . 5805 1 35 . GLY . 5805 1 36 . GLU . 5805 1 37 . VAL . 5805 1 38 . VAL . 5805 1 39 . ASP . 5805 1 40 . GLU . 5805 1 41 . THR . 5805 1 42 . GLN . 5805 1 43 . ASN . 5805 1 44 . THR . 5805 1 45 . LEU . 5805 1 46 . LYS . 5805 1 47 . ILE . 5805 1 48 . MET . 5805 1 49 . THR . 5805 1 50 . GLU . 5805 1 51 . LYS . 5805 1 52 . GLY . 5805 1 53 . LEU . 5805 1 54 . LYS . 5805 1 55 . VAL . 5805 1 56 . VAL . 5805 1 57 . ALA . 5805 1 58 . LYS . 5805 1 59 . ARG . 5805 1 60 . GLY . 5805 1 61 . ARG . 5805 1 62 . THR . 5805 1 63 . PHE . 5805 1 64 . ARG . 5805 1 65 . VAL . 5805 1 66 . TRP . 5805 1 67 . TYR . 5805 1 68 . LYS . 5805 1 69 . GLY . 5805 1 70 . LYS . 5805 1 71 . ILE . 5805 1 72 . MET . 5805 1 73 . ARG . 5805 1 74 . ILE . 5805 1 75 . LYS . 5805 1 76 . GLY . 5805 1 77 . ASP . 5805 1 78 . LEU . 5805 1 79 . ILE . 5805 1 80 . ASN . 5805 1 81 . PHE . 5805 1 82 . ARG . 5805 1 83 . PRO . 5805 1 84 . GLU . 5805 1 85 . ASP . 5805 1 86 . ARG . 5805 1 87 . ILE . 5805 1 88 . LYS . 5805 1 89 . ARG . 5805 1 90 . GLY . 5805 1 91 . LEU . 5805 1 92 . MET . 5805 1 93 . MET . 5805 1 94 . LEU . 5805 1 95 . LYS . 5805 1 96 . ARG . 5805 1 97 . ALA . 5805 1 98 . LYS . 5805 1 99 . GLY . 5805 1 100 . VAL . 5805 1 101 . TRP . 5805 1 102 . ILE . 5805 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 5805 1 . ARG 2 2 5805 1 . GLY 3 3 5805 1 . ARG 4 4 5805 1 . LEU 5 5 5805 1 . GLN 6 6 5805 1 . GLY 7 7 5805 1 . VAL 8 8 5805 1 . ALA 9 9 5805 1 . LEU 10 10 5805 1 . ILE 11 11 5805 1 . ALA 12 12 5805 1 . ARG 13 13 5805 1 . ASP 14 14 5805 1 . TRP 15 15 5805 1 . ILE 16 16 5805 1 . GLY 17 17 5805 1 . LEU 18 18 5805 1 . MET 19 19 5805 1 . VAL 20 20 5805 1 . GLU 21 21 5805 1 . VAL 22 22 5805 1 . VAL 23 23 5805 1 . GLU 24 24 5805 1 . SER 25 25 5805 1 . PRO 26 26 5805 1 . ASN 27 27 5805 1 . HIS 28 28 5805 1 . SER 29 29 5805 1 . GLU 30 30 5805 1 . VAL 31 31 5805 1 . GLY 32 32 5805 1 . ILE 33 33 5805 1 . LYS 34 34 5805 1 . GLY 35 35 5805 1 . GLU 36 36 5805 1 . VAL 37 37 5805 1 . VAL 38 38 5805 1 . ASP 39 39 5805 1 . GLU 40 40 5805 1 . THR 41 41 5805 1 . GLN 42 42 5805 1 . ASN 43 43 5805 1 . THR 44 44 5805 1 . LEU 45 45 5805 1 . LYS 46 46 5805 1 . ILE 47 47 5805 1 . MET 48 48 5805 1 . THR 49 49 5805 1 . GLU 50 50 5805 1 . LYS 51 51 5805 1 . GLY 52 52 5805 1 . LEU 53 53 5805 1 . LYS 54 54 5805 1 . VAL 55 55 5805 1 . VAL 56 56 5805 1 . ALA 57 57 5805 1 . LYS 58 58 5805 1 . ARG 59 59 5805 1 . GLY 60 60 5805 1 . ARG 61 61 5805 1 . THR 62 62 5805 1 . PHE 63 63 5805 1 . ARG 64 64 5805 1 . VAL 65 65 5805 1 . TRP 66 66 5805 1 . TYR 67 67 5805 1 . LYS 68 68 5805 1 . GLY 69 69 5805 1 . LYS 70 70 5805 1 . ILE 71 71 5805 1 . MET 72 72 5805 1 . ARG 73 73 5805 1 . ILE 74 74 5805 1 . LYS 75 75 5805 1 . GLY 76 76 5805 1 . ASP 77 77 5805 1 . LEU 78 78 5805 1 . ILE 79 79 5805 1 . ASN 80 80 5805 1 . PHE 81 81 5805 1 . ARG 82 82 5805 1 . PRO 83 83 5805 1 . GLU 84 84 5805 1 . ASP 85 85 5805 1 . ARG 86 86 5805 1 . ILE 87 87 5805 1 . LYS 88 88 5805 1 . ARG 89 89 5805 1 . GLY 90 90 5805 1 . LEU 91 91 5805 1 . MET 92 92 5805 1 . MET 93 93 5805 1 . LEU 94 94 5805 1 . LYS 95 95 5805 1 . ARG 96 96 5805 1 . ALA 97 97 5805 1 . LYS 98 98 5805 1 . GLY 99 99 5805 1 . VAL 100 100 5805 1 . TRP 101 101 5805 1 . ILE 102 102 5805 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 5805 _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 $Rpp29 . 2234 organism . 'Archaeoglobus fulgidus' 'Archaeoglobus fulgidus' . . Archaea . Archaeoglobus fulgidus . . . . . . . . . . . . . . . . . . . . . 5805 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 5805 _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 $Rpp29 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5805 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5805 _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 'RNase P protein Rpp29' . . . 1 $Rpp29 . . . 1.5 2.0 mM . . . . 5805 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5805 _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 5.8 0.2 na 5805 1 temperature 303 1 K 5805 1 'ionic strength' 0.10 0.02 M 5805 1 stop_ save_ ############################ # Computer software used # ############################ save_felix _Software.Sf_category software _Software.Sf_framecode felix _Software.Entry_ID 5805 _Software.ID 1 _Software.Name felix _Software.Version 1.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5805 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 5805 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _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 5805 _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 . . 500 . . . 5805 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 5805 _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 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 2 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 4 HNCOCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 5 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 6 '13C-HMQC NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 7 '15N-1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 8 '15N-1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 9 HACACBHO . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 10 '1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 11 '1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 1 12 '1H COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5805 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 5805 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 5805 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 5805 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 5805 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCOCACB _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 5805 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 5805 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C-HMQC 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 5805 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N-1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 5805 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N-1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_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 5805 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HACACBHO _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5805 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5805 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5805 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5805 _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 . indirect 1.000000000 . . . . . . . . . 5805 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5805 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5805 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 5805 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5805 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 HNCA 1 $sample_1 . 5805 1 2 HNCO 1 $sample_1 . 5805 1 3 HNCACB 1 $sample_1 . 5805 1 4 HNCOCACB 1 $sample_1 . 5805 1 5 HCCH-TOCSY 1 $sample_1 . 5805 1 6 '13C-HMQC NOESY' 1 $sample_1 . 5805 1 7 '15N-1H TOCSY' 1 $sample_1 . 5805 1 8 '15N-1H NOESY' 1 $sample_1 . 5805 1 9 HACACBHO 1 $sample_1 . 5805 1 10 '1H TOCSY' 1 $sample_1 . 5805 1 11 '1H NOESY' 1 $sample_1 . 5805 1 12 '1H COSY' 1 $sample_1 . 5805 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 7 7 GLY CA C 13 43.20 0.1 . 1 . . . . . . . . 5805 1 2 . 1 1 8 8 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5805 1 3 . 1 1 8 8 VAL HA H 1 4.03 0.02 . 1 . . . . . . . . 5805 1 4 . 1 1 8 8 VAL HB H 1 1.90 0.02 . 1 . . . . . . . . 5805 1 5 . 1 1 8 8 VAL HG11 H 1 0.75 0.02 . 2 . . . . . . . . 5805 1 6 . 1 1 8 8 VAL HG12 H 1 0.75 0.02 . 2 . . . . . . . . 5805 1 7 . 1 1 8 8 VAL HG13 H 1 0.75 0.02 . 2 . . . . . . . . 5805 1 8 . 1 1 8 8 VAL HG21 H 1 0.80 0.02 . 2 . . . . . . . . 5805 1 9 . 1 1 8 8 VAL HG22 H 1 0.80 0.02 . 2 . . . . . . . . 5805 1 10 . 1 1 8 8 VAL HG23 H 1 0.80 0.02 . 2 . . . . . . . . 5805 1 11 . 1 1 8 8 VAL C C 13 175.4 0.1 . 1 . . . . . . . . 5805 1 12 . 1 1 8 8 VAL CA C 13 62.1 0.1 . 1 . . . . . . . . 5805 1 13 . 1 1 8 8 VAL CB C 13 32.9 0.1 . 1 . . . . . . . . 5805 1 14 . 1 1 8 8 VAL CG1 C 13 20.8 0.1 . 1 . . . . . . . . 5805 1 15 . 1 1 8 8 VAL CG2 C 13 20.8 0.1 . 1 . . . . . . . . 5805 1 16 . 1 1 8 8 VAL N N 15 119.2 0.2 . 1 . . . . . . . . 5805 1 17 . 1 1 9 9 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 5805 1 18 . 1 1 9 9 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 5805 1 19 . 1 1 9 9 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5805 1 20 . 1 1 9 9 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5805 1 21 . 1 1 9 9 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5805 1 22 . 1 1 9 9 ALA C C 13 177.10 0.1 . 1 . . . . . . . . 5805 1 23 . 1 1 9 9 ALA CA C 13 52.20 0.1 . 1 . . . . . . . . 5805 1 24 . 1 1 9 9 ALA CB C 13 19.30 0.1 . 1 . . . . . . . . 5805 1 25 . 1 1 9 9 ALA N N 15 127.60 0.2 . 1 . . . . . . . . 5805 1 26 . 1 1 10 10 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 5805 1 27 . 1 1 10 10 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 5805 1 28 . 1 1 10 10 LEU HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5805 1 29 . 1 1 10 10 LEU HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5805 1 30 . 1 1 10 10 LEU HG H 1 1.71 0.02 . 4 . . . . . . . . 5805 1 31 . 1 1 10 10 LEU HD11 H 1 1.32 0.02 . 4 . . . . . . . . 5805 1 32 . 1 1 10 10 LEU HD12 H 1 1.32 0.02 . 4 . . . . . . . . 5805 1 33 . 1 1 10 10 LEU HD13 H 1 1.32 0.02 . 4 . . . . . . . . 5805 1 34 . 1 1 10 10 LEU HD21 H 1 0.76 0.02 . 4 . . . . . . . . 5805 1 35 . 1 1 10 10 LEU HD22 H 1 0.76 0.02 . 4 . . . . . . . . 5805 1 36 . 1 1 10 10 LEU HD23 H 1 0.76 0.02 . 4 . . . . . . . . 5805 1 37 . 1 1 10 10 LEU C C 13 175.80 0.1 . 1 . . . . . . . . 5805 1 38 . 1 1 10 10 LEU CA C 13 56.50 0.1 . 1 . . . . . . . . 5805 1 39 . 1 1 10 10 LEU CB C 13 42.10 0.1 . 1 . . . . . . . . 5805 1 40 . 1 1 11 11 ILE H H 1 7.66 0.02 . 1 . . . . . . . . 5805 1 41 . 1 1 11 11 ILE HA H 1 4.08 0.02 . 1 . . . . . . . . 5805 1 42 . 1 1 11 11 ILE HB H 1 2.01 0.02 . 1 . . . . . . . . 5805 1 43 . 1 1 11 11 ILE C C 13 175.20 0.1 . 1 . . . . . . . . 5805 1 44 . 1 1 11 11 ILE CA C 13 62.30 0.1 . 1 . . . . . . . . 5805 1 45 . 1 1 11 11 ILE CB C 13 38.40 0.1 . 1 . . . . . . . . 5805 1 46 . 1 1 11 11 ILE N N 15 114.30 0.2 . 1 . . . . . . . . 5805 1 47 . 1 1 12 12 ALA H H 1 7.66 0.02 . 1 . . . . . . . . 5805 1 48 . 1 1 12 12 ALA HA H 1 4.49 0.02 . 1 . . . . . . . . 5805 1 49 . 1 1 12 12 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5805 1 50 . 1 1 12 12 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5805 1 51 . 1 1 12 12 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5805 1 52 . 1 1 12 12 ALA C C 13 175.40 0.1 . 1 . . . . . . . . 5805 1 53 . 1 1 12 12 ALA CA C 13 51.80 0.1 . 1 . . . . . . . . 5805 1 54 . 1 1 12 12 ALA CB C 13 19.60 0.1 . 1 . . . . . . . . 5805 1 55 . 1 1 12 12 ALA N N 15 124.40 0.2 . 1 . . . . . . . . 5805 1 56 . 1 1 13 13 ARG H H 1 7.63 0.02 . 1 . . . . . . . . 5805 1 57 . 1 1 13 13 ARG HA H 1 4.44 0.02 . 1 . . . . . . . . 5805 1 58 . 1 1 13 13 ARG HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5805 1 59 . 1 1 13 13 ARG HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5805 1 60 . 1 1 13 13 ARG HG2 H 1 1.99 0.02 . 4 . . . . . . . . 5805 1 61 . 1 1 13 13 ARG HG3 H 1 1.99 0.02 . 4 . . . . . . . . 5805 1 62 . 1 1 13 13 ARG HD2 H 1 1.92 0.02 . 4 . . . . . . . . 5805 1 63 . 1 1 13 13 ARG HD3 H 1 1.92 0.02 . 4 . . . . . . . . 5805 1 64 . 1 1 13 13 ARG C C 13 174.80 0.1 . 1 . . . . . . . . 5805 1 65 . 1 1 13 13 ARG CA C 13 55.20 0.1 . 1 . . . . . . . . 5805 1 66 . 1 1 13 13 ARG CB C 13 31.90 0.1 . 1 . . . . . . . . 5805 1 67 . 1 1 13 13 ARG N N 15 117.40 0.2 . 1 . . . . . . . . 5805 1 68 . 1 1 14 14 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 5805 1 69 . 1 1 14 14 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 5805 1 70 . 1 1 14 14 ASP HB2 H 1 3.02 0.02 . 1 . . . . . . . . 5805 1 71 . 1 1 14 14 ASP HB3 H 1 3.02 0.02 . 1 . . . . . . . . 5805 1 72 . 1 1 14 14 ASP C C 13 176.00 0.1 . 1 . . . . . . . . 5805 1 73 . 1 1 14 14 ASP CA C 13 54.90 0.1 . 1 . . . . . . . . 5805 1 74 . 1 1 14 14 ASP CB C 13 42.10 0.1 . 1 . . . . . . . . 5805 1 75 . 1 1 14 14 ASP N N 15 120.00 0.2 . 1 . . . . . . . . 5805 1 76 . 1 1 15 15 TRP H H 1 9.65 0.02 . 1 . . . . . . . . 5805 1 77 . 1 1 15 15 TRP HA H 1 4.62 0.02 . 1 . . . . . . . . 5805 1 78 . 1 1 15 15 TRP HB2 H 1 2.86 0.02 . 1 . . . . . . . . 5805 1 79 . 1 1 15 15 TRP HB3 H 1 2.86 0.02 . 1 . . . . . . . . 5805 1 80 . 1 1 15 15 TRP C C 13 178.30 0.1 . 1 . . . . . . . . 5805 1 81 . 1 1 15 15 TRP CA C 13 56.40 0.1 . 1 . . . . . . . . 5805 1 82 . 1 1 15 15 TRP CB C 13 29.60 0.1 . 1 . . . . . . . . 5805 1 83 . 1 1 16 16 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 5805 1 84 . 1 1 16 16 ILE HA H 1 3.46 0.02 . 1 . . . . . . . . 5805 1 85 . 1 1 16 16 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 5805 1 86 . 1 1 16 16 ILE HG12 H 1 1.73 0.02 . 1 . . . . . . . . 5805 1 87 . 1 1 16 16 ILE HG13 H 1 1.73 0.02 . 1 . . . . . . . . 5805 1 88 . 1 1 16 16 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5805 1 89 . 1 1 16 16 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5805 1 90 . 1 1 16 16 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5805 1 91 . 1 1 16 16 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . 5805 1 92 . 1 1 16 16 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . 5805 1 93 . 1 1 16 16 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . 5805 1 94 . 1 1 16 16 ILE C C 13 177.50 0.1 . 1 . . . . . . . . 5805 1 95 . 1 1 16 16 ILE CA C 13 64.10 0.1 . 1 . . . . . . . . 5805 1 96 . 1 1 16 16 ILE CB C 13 36.00 0.1 . 1 . . . . . . . . 5805 1 97 . 1 1 16 16 ILE CG1 C 13 27.50 0.1 . 1 . . . . . . . . 5805 1 98 . 1 1 16 16 ILE CG2 C 13 17.60 0.1 . 1 . . . . . . . . 5805 1 99 . 1 1 16 16 ILE CD1 C 13 12.80 0.1 . 1 . . . . . . . . 5805 1 100 . 1 1 16 16 ILE N N 15 119.10 0.2 . 1 . . . . . . . . 5805 1 101 . 1 1 17 17 GLY H H 1 9.27 0.02 . 1 . . . . . . . . 5805 1 102 . 1 1 17 17 GLY HA2 H 1 4.46 0.02 . 1 . . . . . . . . 5805 1 103 . 1 1 17 17 GLY HA3 H 1 3.86 0.02 . 1 . . . . . . . . 5805 1 104 . 1 1 17 17 GLY C C 13 176.60 0.1 . 1 . . . . . . . . 5805 1 105 . 1 1 17 17 GLY CA C 13 44.80 0.1 . 1 . . . . . . . . 5805 1 106 . 1 1 17 17 GLY N N 15 116.60 0.2 . 1 . . . . . . . . 5805 1 107 . 1 1 18 18 LEU H H 1 8.27 0.02 . 1 . . . . . . . . 5805 1 108 . 1 1 18 18 LEU HA H 1 4.68 0.02 . 1 . . . . . . . . 5805 1 109 . 1 1 18 18 LEU HB2 H 1 1.34 0.02 . 1 . . . . . . . . 5805 1 110 . 1 1 18 18 LEU C C 13 175.40 0.1 . 1 . . . . . . . . 5805 1 111 . 1 1 18 18 LEU CA C 13 54.30 0.1 . 1 . . . . . . . . 5805 1 112 . 1 1 18 18 LEU CB C 13 41.80 0.1 . 1 . . . . . . . . 5805 1 113 . 1 1 19 19 MET H H 1 8.70 0.02 . 1 . . . . . . . . 5805 1 114 . 1 1 19 19 MET HA H 1 5.04 0.02 . 1 . . . . . . . . 5805 1 115 . 1 1 19 19 MET HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5805 1 116 . 1 1 19 19 MET HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5805 1 117 . 1 1 19 19 MET HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5805 1 118 . 1 1 19 19 MET HG3 H 1 2.21 0.02 . 2 . . . . . . . . 5805 1 119 . 1 1 19 19 MET C C 13 174.80 0.1 . 1 . . . . . . . . 5805 1 120 . 1 1 19 19 MET CA C 13 54.20 0.1 . 1 . . . . . . . . 5805 1 121 . 1 1 19 19 MET CB C 13 32.20 0.1 . 1 . . . . . . . . 5805 1 122 . 1 1 19 19 MET CG C 13 31.70 0.1 . 1 . . . . . . . . 5805 1 123 . 1 1 19 19 MET N N 15 121.40 0.2 . 1 . . . . . . . . 5805 1 124 . 1 1 20 20 VAL H H 1 8.94 0.02 . 1 . . . . . . . . 5805 1 125 . 1 1 20 20 VAL HA H 1 5.99 0.02 . 1 . . . . . . . . 5805 1 126 . 1 1 20 20 VAL HB H 1 2.22 0.02 . 1 . . . . . . . . 5805 1 127 . 1 1 20 20 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 5805 1 128 . 1 1 20 20 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 5805 1 129 . 1 1 20 20 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5805 1 130 . 1 1 20 20 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 5805 1 131 . 1 1 20 20 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 5805 1 132 . 1 1 20 20 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 5805 1 133 . 1 1 20 20 VAL C C 13 173.40 0.1 . 1 . . . . . . . . 5805 1 134 . 1 1 20 20 VAL CA C 13 58.80 0.1 . 1 . . . . . . . . 5805 1 135 . 1 1 20 20 VAL CB C 13 37.00 0.1 . 1 . . . . . . . . 5805 1 136 . 1 1 20 20 VAL CG1 C 13 21.20 0.1 . 1 . . . . . . . . 5805 1 137 . 1 1 20 20 VAL CG2 C 13 21.20 0.1 . 1 . . . . . . . . 5805 1 138 . 1 1 20 20 VAL N N 15 118.30 0.2 . 1 . . . . . . . . 5805 1 139 . 1 1 21 21 GLU H H 1 9.45 0.02 . 1 . . . . . . . . 5805 1 140 . 1 1 21 21 GLU HA H 1 5.81 0.02 . 1 . . . . . . . . 5805 1 141 . 1 1 21 21 GLU HB2 H 1 2.26 0.02 . 1 . . . . . . . . 5805 1 142 . 1 1 21 21 GLU HB3 H 1 2.26 0.02 . 1 . . . . . . . . 5805 1 143 . 1 1 21 21 GLU HG2 H 1 1.98 0.02 . 2 . . . . . . . . 5805 1 144 . 1 1 21 21 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 5805 1 145 . 1 1 21 21 GLU C C 13 176.00 0.1 . 1 . . . . . . . . 5805 1 146 . 1 1 21 21 GLU CA C 13 53.60 0.1 . 1 . . . . . . . . 5805 1 147 . 1 1 21 21 GLU CB C 13 37.00 0.1 . 1 . . . . . . . . 5805 1 148 . 1 1 21 21 GLU CG C 13 36.30 0.1 . 1 . . . . . . . . 5805 1 149 . 1 1 21 21 GLU N N 15 121.20 0.2 . 1 . . . . . . . . 5805 1 150 . 1 1 22 22 VAL H H 1 9.36 0.02 . 1 . . . . . . . . 5805 1 151 . 1 1 22 22 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 5805 1 152 . 1 1 22 22 VAL HB H 1 2.69 0.02 . 1 . . . . . . . . 5805 1 153 . 1 1 22 22 VAL HG11 H 1 0.60 0.02 . 2 . . . . . . . . 5805 1 154 . 1 1 22 22 VAL HG12 H 1 0.60 0.02 . 2 . . . . . . . . 5805 1 155 . 1 1 22 22 VAL HG13 H 1 0.60 0.02 . 2 . . . . . . . . 5805 1 156 . 1 1 22 22 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 5805 1 157 . 1 1 22 22 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 5805 1 158 . 1 1 22 22 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 5805 1 159 . 1 1 22 22 VAL C C 13 175.70 0.1 . 1 . . . . . . . . 5805 1 160 . 1 1 22 22 VAL CA C 13 63.30 0.1 . 1 . . . . . . . . 5805 1 161 . 1 1 22 22 VAL CB C 13 30.90 0.1 . 1 . . . . . . . . 5805 1 162 . 1 1 22 22 VAL CG1 C 13 21.10 0.1 . 1 . . . . . . . . 5805 1 163 . 1 1 22 22 VAL CG2 C 13 21.10 0.1 . 1 . . . . . . . . 5805 1 164 . 1 1 22 22 VAL N N 15 127.50 0.2 . 1 . . . . . . . . 5805 1 165 . 1 1 23 23 VAL H H 1 8.58 0.02 . 1 . . . . . . . . 5805 1 166 . 1 1 23 23 VAL HA H 1 3.66 0.02 . 1 . . . . . . . . 5805 1 167 . 1 1 23 23 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 5805 1 168 . 1 1 23 23 VAL HG11 H 1 0.67 0.02 . 2 . . . . . . . . 5805 1 169 . 1 1 23 23 VAL HG12 H 1 0.67 0.02 . 2 . . . . . . . . 5805 1 170 . 1 1 23 23 VAL HG13 H 1 0.67 0.02 . 2 . . . . . . . . 5805 1 171 . 1 1 23 23 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . 5805 1 172 . 1 1 23 23 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . 5805 1 173 . 1 1 23 23 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . 5805 1 174 . 1 1 23 23 VAL C C 13 174.80 0.1 . 1 . . . . . . . . 5805 1 175 . 1 1 23 23 VAL CA C 13 61.80 0.1 . 1 . . . . . . . . 5805 1 176 . 1 1 23 23 VAL CB C 13 33.00 0.1 . 1 . . . . . . . . 5805 1 177 . 1 1 23 23 VAL CG1 C 13 21.50 0.1 . 1 . . . . . . . . 5805 1 178 . 1 1 23 23 VAL CG2 C 13 21.50 0.1 . 1 . . . . . . . . 5805 1 179 . 1 1 23 23 VAL N N 15 122.60 0.2 . 1 . . . . . . . . 5805 1 180 . 1 1 24 24 GLU H H 1 7.43 0.02 . 1 . . . . . . . . 5805 1 181 . 1 1 24 24 GLU HA H 1 4.58 0.02 . 1 . . . . . . . . 5805 1 182 . 1 1 24 24 GLU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5805 1 183 . 1 1 24 24 GLU HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5805 1 184 . 1 1 24 24 GLU HG2 H 1 1.78 0.02 . 2 . . . . . . . . 5805 1 185 . 1 1 24 24 GLU HG3 H 1 1.96 0.02 . 2 . . . . . . . . 5805 1 186 . 1 1 24 24 GLU C C 13 174.00 0.1 . 1 . . . . . . . . 5805 1 187 . 1 1 24 24 GLU CA C 13 56.10 0.1 . 1 . . . . . . . . 5805 1 188 . 1 1 24 24 GLU CB C 13 34.00 0.1 . 1 . . . . . . . . 5805 1 189 . 1 1 24 24 GLU CG C 13 36.10 0.1 . 1 . . . . . . . . 5805 1 190 . 1 1 24 24 GLU N N 15 118.80 0.2 . 1 . . . . . . . . 5805 1 191 . 1 1 25 25 SER H H 1 8.20 0.02 . 1 . . . . . . . . 5805 1 192 . 1 1 25 25 SER HA H 1 4.82 0.02 . 1 . . . . . . . . 5805 1 193 . 1 1 25 25 SER HB2 H 1 3.34 0.02 . 2 . . . . . . . . 5805 1 194 . 1 1 25 25 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 5805 1 195 . 1 1 25 25 SER HG H 1 6.13 0.02 . 1 . . . . . . . . 5805 1 196 . 1 1 25 25 SER C C 13 171.50 0.1 . 1 . . . . . . . . 5805 1 197 . 1 1 25 25 SER CA C 13 54.80 0.1 . 1 . . . . . . . . 5805 1 198 . 1 1 25 25 SER CB C 13 64.90 0.1 . 1 . . . . . . . . 5805 1 199 . 1 1 25 25 SER N N 15 115.80 0.2 . 1 . . . . . . . . 5805 1 200 . 1 1 26 26 PRO HA H 1 4.53 0.02 . 1 . . . . . . . . 5805 1 201 . 1 1 26 26 PRO HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5805 1 202 . 1 1 26 26 PRO HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5805 1 203 . 1 1 26 26 PRO HG2 H 1 2.03 0.02 . 2 . . . . . . . . 5805 1 204 . 1 1 26 26 PRO HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5805 1 205 . 1 1 26 26 PRO HD2 H 1 3.71 0.02 . 1 . . . . . . . . 5805 1 206 . 1 1 26 26 PRO HD3 H 1 3.71 0.02 . 1 . . . . . . . . 5805 1 207 . 1 1 26 26 PRO C C 13 175.80 0.1 . 1 . . . . . . . . 5805 1 208 . 1 1 26 26 PRO CA C 13 63.80 0.1 . 1 . . . . . . . . 5805 1 209 . 1 1 26 26 PRO CB C 13 31.80 0.1 . 1 . . . . . . . . 5805 1 210 . 1 1 26 26 PRO CG C 13 27.20 0.1 . 1 . . . . . . . . 5805 1 211 . 1 1 26 26 PRO CD C 13 50.80 0.1 . 1 . . . . . . . . 5805 1 212 . 1 1 27 27 ASN H H 1 8.12 0.02 . 1 . . . . . . . . 5805 1 213 . 1 1 27 27 ASN HA H 1 4.87 0.02 . 1 . . . . . . . . 5805 1 214 . 1 1 27 27 ASN HB2 H 1 2.48 0.02 . 2 . . . . . . . . 5805 1 215 . 1 1 27 27 ASN HB3 H 1 2.74 0.02 . 2 . . . . . . . . 5805 1 216 . 1 1 27 27 ASN C C 13 174.90 0.1 . 1 . . . . . . . . 5805 1 217 . 1 1 27 27 ASN CA C 13 51.00 0.1 . 1 . . . . . . . . 5805 1 218 . 1 1 27 27 ASN CB C 13 38.10 0.1 . 1 . . . . . . . . 5805 1 219 . 1 1 27 27 ASN N N 15 117.30 0.2 . 1 . . . . . . . . 5805 1 220 . 1 1 28 28 HIS H H 1 9.08 0.02 . 1 . . . . . . . . 5805 1 221 . 1 1 28 28 HIS HA H 1 4.23 0.02 . 1 . . . . . . . . 5805 1 222 . 1 1 28 28 HIS HB2 H 1 3.30 0.02 . 2 . . . . . . . . 5805 1 223 . 1 1 28 28 HIS HB3 H 1 3.36 0.02 . 2 . . . . . . . . 5805 1 224 . 1 1 28 28 HIS HD1 H 1 7.35 0.02 . 2 . . . . . . . . 5805 1 225 . 1 1 28 28 HIS HD2 H 1 7.35 0.02 . 2 . . . . . . . . 5805 1 226 . 1 1 28 28 HIS HE1 H 1 8.52 0.02 . 2 . . . . . . . . 5805 1 227 . 1 1 28 28 HIS HE2 H 1 8.52 0.02 . 2 . . . . . . . . 5805 1 228 . 1 1 28 28 HIS C C 13 176.50 0.1 . 1 . . . . . . . . 5805 1 229 . 1 1 28 28 HIS CA C 13 59.50 0.1 . 1 . . . . . . . . 5805 1 230 . 1 1 28 28 HIS CB C 13 29.20 0.1 . 1 . . . . . . . . 5805 1 231 . 1 1 28 28 HIS N N 15 123.20 0.2 . 1 . . . . . . . . 5805 1 232 . 1 1 29 29 SER H H 1 8.10 0.02 . 1 . . . . . . . . 5805 1 233 . 1 1 29 29 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 5805 1 234 . 1 1 29 29 SER HB2 H 1 3.92 0.02 . 1 . . . . . . . . 5805 1 235 . 1 1 29 29 SER HB3 H 1 3.92 0.02 . 1 . . . . . . . . 5805 1 236 . 1 1 29 29 SER C C 13 177.00 0.1 . 1 . . . . . . . . 5805 1 237 . 1 1 29 29 SER CA C 13 60.80 0.1 . 1 . . . . . . . . 5805 1 238 . 1 1 29 29 SER CB C 13 62.90 0.1 . 1 . . . . . . . . 5805 1 239 . 1 1 29 29 SER N N 15 113.80 0.2 . 1 . . . . . . . . 5805 1 240 . 1 1 30 30 GLU H H 1 7.85 0.02 . 1 . . . . . . . . 5805 1 241 . 1 1 30 30 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 5805 1 242 . 1 1 30 30 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . 5805 1 243 . 1 1 30 30 GLU HB3 H 1 2.07 0.02 . 1 . . . . . . . . 5805 1 244 . 1 1 30 30 GLU HG2 H 1 2.25 0.02 . 1 . . . . . . . . 5805 1 245 . 1 1 30 30 GLU HG3 H 1 2.25 0.02 . 1 . . . . . . . . 5805 1 246 . 1 1 30 30 GLU C C 13 176.40 0.1 . 1 . . . . . . . . 5805 1 247 . 1 1 30 30 GLU CA C 13 56.10 0.1 . 1 . . . . . . . . 5805 1 248 . 1 1 30 30 GLU CB C 13 31.20 0.1 . 1 . . . . . . . . 5805 1 249 . 1 1 30 30 GLU CG C 13 36.40 0.1 . 1 . . . . . . . . 5805 1 250 . 1 1 30 30 GLU N N 15 118.90 0.2 . 1 . . . . . . . . 5805 1 251 . 1 1 31 31 VAL H H 1 7.06 0.02 . 1 . . . . . . . . 5805 1 252 . 1 1 31 31 VAL HA H 1 3.20 0.02 . 1 . . . . . . . . 5805 1 253 . 1 1 31 31 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 5805 1 254 . 1 1 31 31 VAL HG11 H 1 0.62 0.02 . 2 . . . . . . . . 5805 1 255 . 1 1 31 31 VAL HG12 H 1 0.62 0.02 . 2 . . . . . . . . 5805 1 256 . 1 1 31 31 VAL HG13 H 1 0.62 0.02 . 2 . . . . . . . . 5805 1 257 . 1 1 31 31 VAL HG21 H 1 0.85 0.02 . 2 . . . . . . . . 5805 1 258 . 1 1 31 31 VAL HG22 H 1 0.85 0.02 . 2 . . . . . . . . 5805 1 259 . 1 1 31 31 VAL HG23 H 1 0.85 0.02 . 2 . . . . . . . . 5805 1 260 . 1 1 31 31 VAL C C 13 176.70 0.1 . 1 . . . . . . . . 5805 1 261 . 1 1 31 31 VAL CA C 13 65.70 0.1 . 1 . . . . . . . . 5805 1 262 . 1 1 31 31 VAL CB C 13 30.50 0.1 . 1 . . . . . . . . 5805 1 263 . 1 1 31 31 VAL CG1 C 13 21.30 0.1 . 1 . . . . . . . . 5805 1 264 . 1 1 31 31 VAL CG2 C 13 21.30 0.1 . 1 . . . . . . . . 5805 1 265 . 1 1 31 31 VAL N N 15 117.90 0.2 . 1 . . . . . . . . 5805 1 266 . 1 1 32 32 GLY H H 1 8.93 0.02 . 1 . . . . . . . . 5805 1 267 . 1 1 32 32 GLY HA2 H 1 4.54 0.02 . 2 . . . . . . . . 5805 1 268 . 1 1 32 32 GLY HA3 H 1 3.78 0.02 . 2 . . . . . . . . 5805 1 269 . 1 1 32 32 GLY C C 13 175.10 0.1 . 1 . . . . . . . . 5805 1 270 . 1 1 32 32 GLY CA C 13 44.50 0.1 . 1 . . . . . . . . 5805 1 271 . 1 1 32 32 GLY N N 15 117.20 0.2 . 1 . . . . . . . . 5805 1 272 . 1 1 33 33 ILE H H 1 7.80 0.02 . 1 . . . . . . . . 5805 1 273 . 1 1 33 33 ILE HA H 1 4.02 0.02 . 1 . . . . . . . . 5805 1 274 . 1 1 33 33 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 5805 1 275 . 1 1 33 33 ILE HG12 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 276 . 1 1 33 33 ILE HG13 H 1 0.95 0.02 . 1 . . . . . . . . 5805 1 277 . 1 1 33 33 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 5805 1 278 . 1 1 33 33 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 5805 1 279 . 1 1 33 33 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 5805 1 280 . 1 1 33 33 ILE C C 13 174.20 0.1 . 1 . . . . . . . . 5805 1 281 . 1 1 33 33 ILE CA C 13 64.10 0.1 . 1 . . . . . . . . 5805 1 282 . 1 1 33 33 ILE CB C 13 37.90 0.1 . 1 . . . . . . . . 5805 1 283 . 1 1 33 33 ILE CG1 C 13 27.30 0.1 . 1 . . . . . . . . 5805 1 284 . 1 1 33 33 ILE CG2 C 13 17.10 0.1 . 1 . . . . . . . . 5805 1 285 . 1 1 33 33 ILE N N 15 123.40 0.2 . 1 . . . . . . . . 5805 1 286 . 1 1 34 34 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 5805 1 287 . 1 1 34 34 LYS HA H 1 5.75 0.02 . 1 . . . . . . . . 5805 1 288 . 1 1 34 34 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5805 1 289 . 1 1 34 34 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5805 1 290 . 1 1 34 34 LYS HG2 H 1 1.21 0.02 . 2 . . . . . . . . 5805 1 291 . 1 1 34 34 LYS HG3 H 1 1.36 0.02 . 2 . . . . . . . . 5805 1 292 . 1 1 34 34 LYS HD2 H 1 1.56 0.02 . 1 . . . . . . . . 5805 1 293 . 1 1 34 34 LYS HD3 H 1 1.56 0.02 . 1 . . . . . . . . 5805 1 294 . 1 1 34 34 LYS C C 13 174.20 0.1 . 1 . . . . . . . . 5805 1 295 . 1 1 34 34 LYS CA C 13 54.50 0.1 . 1 . . . . . . . . 5805 1 296 . 1 1 34 34 LYS CB C 13 36.70 0.1 . 1 . . . . . . . . 5805 1 297 . 1 1 34 34 LYS CG C 13 27.40 0.1 . 1 . . . . . . . . 5805 1 298 . 1 1 34 34 LYS CD C 13 30.00 0.1 . 1 . . . . . . . . 5805 1 299 . 1 1 34 34 LYS N N 15 128.70 0.2 . 1 . . . . . . . . 5805 1 300 . 1 1 35 35 GLY H H 1 8.88 0.02 . 1 . . . . . . . . 5805 1 301 . 1 1 35 35 GLY HA2 H 1 4.43 0.02 . 2 . . . . . . . . 5805 1 302 . 1 1 35 35 GLY HA3 H 1 3.86 0.02 . 2 . . . . . . . . 5805 1 303 . 1 1 35 35 GLY C C 13 170.00 0.1 . 1 . . . . . . . . 5805 1 304 . 1 1 35 35 GLY CA C 13 45.60 0.1 . 1 . . . . . . . . 5805 1 305 . 1 1 35 35 GLY N N 15 112.20 0.2 . 1 . . . . . . . . 5805 1 306 . 1 1 36 36 GLU H H 1 7.60 0.02 . 1 . . . . . . . . 5805 1 307 . 1 1 36 36 GLU HA H 1 4.89 0.02 . 1 . . . . . . . . 5805 1 308 . 1 1 36 36 GLU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5805 1 309 . 1 1 36 36 GLU HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5805 1 310 . 1 1 36 36 GLU HG2 H 1 1.95 0.02 . 2 . . . . . . . . 5805 1 311 . 1 1 36 36 GLU HG3 H 1 2.35 0.02 . 2 . . . . . . . . 5805 1 312 . 1 1 36 36 GLU C C 13 171.80 0.1 . 1 . . . . . . . . 5805 1 313 . 1 1 36 36 GLU CA C 13 54.80 0.1 . 1 . . . . . . . . 5805 1 314 . 1 1 36 36 GLU CB C 13 32.60 0.1 . 1 . . . . . . . . 5805 1 315 . 1 1 36 36 GLU CG C 13 33.90 0.1 . 1 . . . . . . . . 5805 1 316 . 1 1 36 36 GLU N N 15 120.00 0.2 . 1 . . . . . . . . 5805 1 317 . 1 1 37 37 VAL H H 1 9.16 0.02 . 1 . . . . . . . . 5805 1 318 . 1 1 37 37 VAL HA H 1 4.27 0.02 . 1 . . . . . . . . 5805 1 319 . 1 1 37 37 VAL HB H 1 2.81 0.02 . 1 . . . . . . . . 5805 1 320 . 1 1 37 37 VAL HG11 H 1 24.20 0.02 . 1 . . . . . . . . 5805 1 321 . 1 1 37 37 VAL HG12 H 1 24.20 0.02 . 1 . . . . . . . . 5805 1 322 . 1 1 37 37 VAL HG13 H 1 24.20 0.02 . 1 . . . . . . . . 5805 1 323 . 1 1 37 37 VAL HG21 H 1 24.20 0.02 . 1 . . . . . . . . 5805 1 324 . 1 1 37 37 VAL HG22 H 1 24.20 0.02 . 1 . . . . . . . . 5805 1 325 . 1 1 37 37 VAL HG23 H 1 24.20 0.02 . 1 . . . . . . . . 5805 1 326 . 1 1 37 37 VAL C C 13 176.90 0.1 . 1 . . . . . . . . 5805 1 327 . 1 1 37 37 VAL CA C 13 64.20 0.1 . 1 . . . . . . . . 5805 1 328 . 1 1 37 37 VAL CB C 13 31.20 0.1 . 1 . . . . . . . . 5805 1 329 . 1 1 37 37 VAL CG1 C 13 24.20 0.1 . 1 . . . . . . . . 5805 1 330 . 1 1 37 37 VAL CG2 C 13 24.20 0.1 . 1 . . . . . . . . 5805 1 331 . 1 1 37 37 VAL N N 15 126.90 0.2 . 1 . . . . . . . . 5805 1 332 . 1 1 38 38 VAL H H 1 9.17 0.02 . 1 . . . . . . . . 5805 1 333 . 1 1 38 38 VAL HA H 1 4.65 0.02 . 1 . . . . . . . . 5805 1 334 . 1 1 38 38 VAL HB H 1 2.31 0.02 . 1 . . . . . . . . 5805 1 335 . 1 1 38 38 VAL HG11 H 1 0.81 0.02 . 2 . . . . . . . . 5805 1 336 . 1 1 38 38 VAL HG12 H 1 0.81 0.02 . 2 . . . . . . . . 5805 1 337 . 1 1 38 38 VAL HG13 H 1 0.81 0.02 . 2 . . . . . . . . 5805 1 338 . 1 1 38 38 VAL HG21 H 1 1.00 0.02 . 2 . . . . . . . . 5805 1 339 . 1 1 38 38 VAL HG22 H 1 1.00 0.02 . 2 . . . . . . . . 5805 1 340 . 1 1 38 38 VAL HG23 H 1 1.00 0.02 . 2 . . . . . . . . 5805 1 341 . 1 1 38 38 VAL C C 13 174.70 0.1 . 1 . . . . . . . . 5805 1 342 . 1 1 38 38 VAL CA C 13 61.40 0.1 . 1 . . . . . . . . 5805 1 343 . 1 1 38 38 VAL CB C 13 33.10 0.1 . 1 . . . . . . . . 5805 1 344 . 1 1 38 38 VAL CG1 C 13 21.20 0.1 . 1 . . . . . . . . 5805 1 345 . 1 1 38 38 VAL CG2 C 13 21.20 0.1 . 1 . . . . . . . . 5805 1 346 . 1 1 38 38 VAL N N 15 124.10 0.2 . 1 . . . . . . . . 5805 1 347 . 1 1 39 39 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 5805 1 348 . 1 1 39 39 ASP HA H 1 4.77 0.02 . 1 . . . . . . . . 5805 1 349 . 1 1 39 39 ASP HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5805 1 350 . 1 1 39 39 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 5805 1 351 . 1 1 39 39 ASP C C 13 175.70 0.1 . 1 . . . . . . . . 5805 1 352 . 1 1 39 39 ASP CA C 13 53.80 0.1 . 1 . . . . . . . . 5805 1 353 . 1 1 39 39 ASP CB C 13 43.80 0.1 . 1 . . . . . . . . 5805 1 354 . 1 1 39 39 ASP N N 15 118.40 0.2 . 1 . . . . . . . . 5805 1 355 . 1 1 40 40 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 5805 1 356 . 1 1 40 40 GLU HA H 1 4.67 0.02 . 1 . . . . . . . . 5805 1 357 . 1 1 40 40 GLU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5805 1 358 . 1 1 40 40 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5805 1 359 . 1 1 40 40 GLU HG2 H 1 2.05 0.02 . 2 . . . . . . . . 5805 1 360 . 1 1 40 40 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . 5805 1 361 . 1 1 40 40 GLU C C 13 173.40 0.1 . 1 . . . . . . . . 5805 1 362 . 1 1 40 40 GLU CA C 13 55.90 0.1 . 1 . . . . . . . . 5805 1 363 . 1 1 40 40 GLU CB C 13 33.10 0.1 . 1 . . . . . . . . 5805 1 364 . 1 1 40 40 GLU CG C 13 35.30 0.1 . 1 . . . . . . . . 5805 1 365 . 1 1 40 40 GLU N N 15 122.40 0.2 . 1 . . . . . . . . 5805 1 366 . 1 1 41 41 THR H H 1 8.67 0.02 . 1 . . . . . . . . 5805 1 367 . 1 1 41 41 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 5805 1 368 . 1 1 41 41 THR HB H 1 4.44 0.02 . 1 . . . . . . . . 5805 1 369 . 1 1 41 41 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 370 . 1 1 41 41 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 371 . 1 1 41 41 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 372 . 1 1 41 41 THR C C 13 174.70 0.1 . 1 . . . . . . . . 5805 1 373 . 1 1 41 41 THR CA C 13 59.50 0.1 . 1 . . . . . . . . 5805 1 374 . 1 1 41 41 THR CB C 13 71.40 0.1 . 1 . . . . . . . . 5805 1 375 . 1 1 41 41 THR CG2 C 13 21.10 0.1 . 1 . . . . . . . . 5805 1 376 . 1 1 41 41 THR N N 15 115.60 0.2 . 1 . . . . . . . . 5805 1 377 . 1 1 42 42 GLN H H 1 8.91 0.02 . 1 . . . . . . . . 5805 1 378 . 1 1 42 42 GLN HA H 1 4.65 0.02 . 1 . . . . . . . . 5805 1 379 . 1 1 42 42 GLN HB2 H 1 2.27 0.02 . 1 . . . . . . . . 5805 1 380 . 1 1 42 42 GLN HB3 H 1 2.27 0.02 . 1 . . . . . . . . 5805 1 381 . 1 1 42 42 GLN HG2 H 1 2.19 0.02 . 1 . . . . . . . . 5805 1 382 . 1 1 42 42 GLN HG3 H 1 2.19 0.02 . 1 . . . . . . . . 5805 1 383 . 1 1 42 42 GLN C C 13 174.90 0.1 . 1 . . . . . . . . 5805 1 384 . 1 1 42 42 GLN CA C 13 62.60 0.1 . 1 . . . . . . . . 5805 1 385 . 1 1 42 42 GLN CB C 13 32.70 0.1 . 1 . . . . . . . . 5805 1 386 . 1 1 42 42 GLN CG C 13 33.90 0.1 . 1 . . . . . . . . 5805 1 387 . 1 1 42 42 GLN N N 15 119.00 0.2 . 1 . . . . . . . . 5805 1 388 . 1 1 43 43 ASN H H 1 8.32 0.02 . 1 . . . . . . . . 5805 1 389 . 1 1 43 43 ASN HA H 1 5.15 0.02 . 1 . . . . . . . . 5805 1 390 . 1 1 43 43 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5805 1 391 . 1 1 43 43 ASN HB3 H 1 2.91 0.02 . 2 . . . . . . . . 5805 1 392 . 1 1 43 43 ASN C C 13 176.10 0.1 . 1 . . . . . . . . 5805 1 393 . 1 1 43 43 ASN CA C 13 53.00 0.1 . 1 . . . . . . . . 5805 1 394 . 1 1 43 43 ASN CB C 13 41.50 0.1 . 1 . . . . . . . . 5805 1 395 . 1 1 43 43 ASN N N 15 126.80 0.2 . 1 . . . . . . . . 5805 1 396 . 1 1 44 44 THR H H 1 7.66 0.02 . 1 . . . . . . . . 5805 1 397 . 1 1 44 44 THR HA H 1 5.17 0.02 . 1 . . . . . . . . 5805 1 398 . 1 1 44 44 THR HB H 1 3.87 0.02 . 1 . . . . . . . . 5805 1 399 . 1 1 44 44 THR HG21 H 1 0.94 0.02 . 1 . . . . . . . . 5805 1 400 . 1 1 44 44 THR HG22 H 1 0.94 0.02 . 1 . . . . . . . . 5805 1 401 . 1 1 44 44 THR HG23 H 1 0.94 0.02 . 1 . . . . . . . . 5805 1 402 . 1 1 44 44 THR C C 13 171.70 0.1 . 1 . . . . . . . . 5805 1 403 . 1 1 44 44 THR CA C 13 60.60 0.1 . 1 . . . . . . . . 5805 1 404 . 1 1 44 44 THR CB C 13 73.60 0.1 . 1 . . . . . . . . 5805 1 405 . 1 1 44 44 THR CG2 C 13 24.70 0.1 . 1 . . . . . . . . 5805 1 406 . 1 1 44 44 THR N N 15 112.00 0.2 . 1 . . . . . . . . 5805 1 407 . 1 1 45 45 LEU H H 1 8.99 0.02 . 1 . . . . . . . . 5805 1 408 . 1 1 45 45 LEU HA H 1 4.68 0.02 . 1 . . . . . . . . 5805 1 409 . 1 1 45 45 LEU HB2 H 1 1.16 0.02 . 2 . . . . . . . . 5805 1 410 . 1 1 45 45 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5805 1 411 . 1 1 45 45 LEU HG H 1 0.18 0.02 . 1 . . . . . . . . 5805 1 412 . 1 1 45 45 LEU HD11 H 1 0.69 0.02 . 1 . . . . . . . . 5805 1 413 . 1 1 45 45 LEU HD12 H 1 0.69 0.02 . 1 . . . . . . . . 5805 1 414 . 1 1 45 45 LEU HD13 H 1 0.69 0.02 . 1 . . . . . . . . 5805 1 415 . 1 1 45 45 LEU HD21 H 1 0.69 0.02 . 1 . . . . . . . . 5805 1 416 . 1 1 45 45 LEU HD22 H 1 0.69 0.02 . 1 . . . . . . . . 5805 1 417 . 1 1 45 45 LEU HD23 H 1 0.69 0.02 . 1 . . . . . . . . 5805 1 418 . 1 1 45 45 LEU C C 13 172.50 0.1 . 1 . . . . . . . . 5805 1 419 . 1 1 45 45 LEU CA C 13 54.00 0.1 . 1 . . . . . . . . 5805 1 420 . 1 1 45 45 LEU CB C 13 46.10 0.1 . 1 . . . . . . . . 5805 1 421 . 1 1 45 45 LEU CG C 13 26.20 0.1 . 1 . . . . . . . . 5805 1 422 . 1 1 45 45 LEU CD1 C 13 23.50 0.1 . 1 . . . . . . . . 5805 1 423 . 1 1 45 45 LEU CD2 C 13 23.50 0.1 . 1 . . . . . . . . 5805 1 424 . 1 1 45 45 LEU N N 15 119.20 0.2 . 1 . . . . . . . . 5805 1 425 . 1 1 46 46 LYS H H 1 8.21 0.02 . 1 . . . . . . . . 5805 1 426 . 1 1 46 46 LYS HA H 1 5.06 0.02 . 1 . . . . . . . . 5805 1 427 . 1 1 46 46 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5805 1 428 . 1 1 46 46 LYS HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5805 1 429 . 1 1 46 46 LYS HG2 H 1 1.21 0.02 . 1 . . . . . . . . 5805 1 430 . 1 1 46 46 LYS HG3 H 1 1.21 0.02 . 1 . . . . . . . . 5805 1 431 . 1 1 46 46 LYS HD2 H 1 1.55 0.02 . 1 . . . . . . . . 5805 1 432 . 1 1 46 46 LYS HD3 H 1 1.55 0.02 . 1 . . . . . . . . 5805 1 433 . 1 1 46 46 LYS C C 13 174.10 0.1 . 1 . . . . . . . . 5805 1 434 . 1 1 46 46 LYS CA C 13 55.60 0.1 . 1 . . . . . . . . 5805 1 435 . 1 1 46 46 LYS CB C 13 32.90 0.1 . 1 . . . . . . . . 5805 1 436 . 1 1 46 46 LYS CG C 13 24.20 0.1 . 1 . . . . . . . . 5805 1 437 . 1 1 46 46 LYS CD C 13 30.00 0.1 . 1 . . . . . . . . 5805 1 438 . 1 1 46 46 LYS N N 15 121.00 0.2 . 1 . . . . . . . . 5805 1 439 . 1 1 47 47 ILE H H 1 9.31 0.02 . 1 . . . . . . . . 5805 1 440 . 1 1 47 47 ILE HA H 1 4.58 0.02 . 1 . . . . . . . . 5805 1 441 . 1 1 47 47 ILE HB H 1 1.49 0.02 . 1 . . . . . . . . 5805 1 442 . 1 1 47 47 ILE HG12 H 1 0.73 0.02 . 1 . . . . . . . . 5805 1 443 . 1 1 47 47 ILE HG21 H 1 0.48 0.02 . 1 . . . . . . . . 5805 1 444 . 1 1 47 47 ILE HG22 H 1 0.48 0.02 . 1 . . . . . . . . 5805 1 445 . 1 1 47 47 ILE HG23 H 1 0.48 0.02 . 1 . . . . . . . . 5805 1 446 . 1 1 47 47 ILE C C 13 174.10 0.1 . 1 . . . . . . . . 5805 1 447 . 1 1 47 47 ILE CA C 13 60.10 0.1 . 1 . . . . . . . . 5805 1 448 . 1 1 47 47 ILE CB C 13 41.70 0.1 . 1 . . . . . . . . 5805 1 449 . 1 1 47 47 ILE CG1 C 13 28.80 0.1 . 1 . . . . . . . . 5805 1 450 . 1 1 47 47 ILE CG2 C 13 20.50 0.1 . 1 . . . . . . . . 5805 1 451 . 1 1 47 47 ILE N N 15 126.90 0.2 . 1 . . . . . . . . 5805 1 452 . 1 1 48 48 MET H H 1 9.65 0.02 . 1 . . . . . . . . 5805 1 453 . 1 1 48 48 MET HA H 1 4.92 0.02 . 1 . . . . . . . . 5805 1 454 . 1 1 48 48 MET HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5805 1 455 . 1 1 48 48 MET HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5805 1 456 . 1 1 48 48 MET HG2 H 1 1.82 0.02 . 2 . . . . . . . . 5805 1 457 . 1 1 48 48 MET HG3 H 1 2.34 0.02 . 2 . . . . . . . . 5805 1 458 . 1 1 48 48 MET C C 13 174.40 0.1 . 1 . . . . . . . . 5805 1 459 . 1 1 48 48 MET CA C 13 54.80 0.1 . 1 . . . . . . . . 5805 1 460 . 1 1 48 48 MET CB C 13 31.40 0.1 . 1 . . . . . . . . 5805 1 461 . 1 1 48 48 MET CG C 13 33.50 0.1 . 1 . . . . . . . . 5805 1 462 . 1 1 48 48 MET N N 15 128.20 0.2 . 1 . . . . . . . . 5805 1 463 . 1 1 49 49 THR H H 1 7.78 0.02 . 1 . . . . . . . . 5805 1 464 . 1 1 49 49 THR HA H 1 5.30 0.02 . 1 . . . . . . . . 5805 1 465 . 1 1 49 49 THR HB H 1 4.57 0.02 . 1 . . . . . . . . 5805 1 466 . 1 1 49 49 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 5805 1 467 . 1 1 49 49 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 5805 1 468 . 1 1 49 49 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 5805 1 469 . 1 1 49 49 THR C C 13 175.20 0.1 . 1 . . . . . . . . 5805 1 470 . 1 1 49 49 THR CA C 13 60.30 0.1 . 1 . . . . . . . . 5805 1 471 . 1 1 49 49 THR CB C 13 72.80 0.1 . 1 . . . . . . . . 5805 1 472 . 1 1 49 49 THR CG2 C 13 22.20 0.1 . 1 . . . . . . . . 5805 1 473 . 1 1 49 49 THR N N 15 121.10 0.2 . 1 . . . . . . . . 5805 1 474 . 1 1 50 50 GLU H H 1 9.32 0.02 . 1 . . . . . . . . 5805 1 475 . 1 1 50 50 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 5805 1 476 . 1 1 50 50 GLU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 5805 1 477 . 1 1 50 50 GLU HB3 H 1 2.17 0.02 . 1 . . . . . . . . 5805 1 478 . 1 1 50 50 GLU HG2 H 1 2.41 0.02 . 1 . . . . . . . . 5805 1 479 . 1 1 50 50 GLU HG3 H 1 2.41 0.02 . 1 . . . . . . . . 5805 1 480 . 1 1 50 50 GLU C C 13 176.20 0.1 . 1 . . . . . . . . 5805 1 481 . 1 1 50 50 GLU CA C 13 28.80 0.1 . 1 . . . . . . . . 5805 1 482 . 1 1 50 50 GLU CB C 13 29.30 0.1 . 1 . . . . . . . . 5805 1 483 . 1 1 50 50 GLU CG C 13 36.40 0.1 . 1 . . . . . . . . 5805 1 484 . 1 1 50 50 GLU N N 15 120.60 0.2 . 1 . . . . . . . . 5805 1 485 . 1 1 51 51 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 5805 1 486 . 1 1 51 51 LYS HA H 1 4.58 0.02 . 1 . . . . . . . . 5805 1 487 . 1 1 51 51 LYS HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5805 1 488 . 1 1 51 51 LYS HB3 H 1 2.12 0.02 . 1 . . . . . . . . 5805 1 489 . 1 1 51 51 LYS HG2 H 1 1.52 0.02 . 1 . . . . . . . . 5805 1 490 . 1 1 51 51 LYS HG3 H 1 1.52 0.02 . 1 . . . . . . . . 5805 1 491 . 1 1 51 51 LYS HE2 H 1 3.76 0.02 . 1 . . . . . . . . 5805 1 492 . 1 1 51 51 LYS HE3 H 1 3.76 0.02 . 1 . . . . . . . . 5805 1 493 . 1 1 51 51 LYS C C 13 175.10 0.1 . 1 . . . . . . . . 5805 1 494 . 1 1 51 51 LYS CA C 13 54.70 0.1 . 1 . . . . . . . . 5805 1 495 . 1 1 51 51 LYS CB C 13 32.70 0.1 . 1 . . . . . . . . 5805 1 496 . 1 1 51 51 LYS CG C 13 29.20 0.1 . 1 . . . . . . . . 5805 1 497 . 1 1 51 51 LYS CE C 13 42.30 0.1 . 1 . . . . . . . . 5805 1 498 . 1 1 51 51 LYS N N 15 117.00 0.2 . 1 . . . . . . . . 5805 1 499 . 1 1 52 52 GLY H H 1 7.42 0.02 . 1 . . . . . . . . 5805 1 500 . 1 1 52 52 GLY HA2 H 1 4.61 0.02 . 2 . . . . . . . . 5805 1 501 . 1 1 52 52 GLY HA3 H 1 3.83 0.02 . 2 . . . . . . . . 5805 1 502 . 1 1 52 52 GLY C C 13 174.40 0.1 . 1 . . . . . . . . 5805 1 503 . 1 1 52 52 GLY CA C 13 44.00 0.1 . 1 . . . . . . . . 5805 1 504 . 1 1 52 52 GLY N N 15 108.00 0.2 . 1 . . . . . . . . 5805 1 505 . 1 1 53 53 LEU H H 1 8.76 0.02 . 1 . . . . . . . . 5805 1 506 . 1 1 53 53 LEU HA H 1 4.75 0.02 . 1 . . . . . . . . 5805 1 507 . 1 1 53 53 LEU HB2 H 1 1.56 0.02 . 1 . . . . . . . . 5805 1 508 . 1 1 53 53 LEU HB3 H 1 1.56 0.02 . 1 . . . . . . . . 5805 1 509 . 1 1 53 53 LEU HG H 1 2.10 0.02 . 1 . . . . . . . . 5805 1 510 . 1 1 53 53 LEU HD11 H 1 0.80 0.02 . 1 . . . . . . . . 5805 1 511 . 1 1 53 53 LEU HD12 H 1 0.80 0.02 . 1 . . . . . . . . 5805 1 512 . 1 1 53 53 LEU HD13 H 1 0.80 0.02 . 1 . . . . . . . . 5805 1 513 . 1 1 53 53 LEU HD21 H 1 0.80 0.02 . 1 . . . . . . . . 5805 1 514 . 1 1 53 53 LEU HD22 H 1 0.80 0.02 . 1 . . . . . . . . 5805 1 515 . 1 1 53 53 LEU HD23 H 1 0.80 0.02 . 1 . . . . . . . . 5805 1 516 . 1 1 53 53 LEU C C 13 176.60 0.1 . 1 . . . . . . . . 5805 1 517 . 1 1 53 53 LEU CA C 13 56.00 0.1 . 1 . . . . . . . . 5805 1 518 . 1 1 53 53 LEU CB C 13 43.20 0.1 . 1 . . . . . . . . 5805 1 519 . 1 1 53 53 LEU CG C 13 27.00 0.1 . 1 . . . . . . . . 5805 1 520 . 1 1 53 53 LEU CD1 C 13 24.50 0.1 . 1 . . . . . . . . 5805 1 521 . 1 1 53 53 LEU CD2 C 13 24.50 0.1 . 1 . . . . . . . . 5805 1 522 . 1 1 53 53 LEU N N 15 124.60 0.2 . 1 . . . . . . . . 5805 1 523 . 1 1 54 54 LYS H H 1 9.43 0.02 . 1 . . . . . . . . 5805 1 524 . 1 1 54 54 LYS HA H 1 4.78 0.02 . 1 . . . . . . . . 5805 1 525 . 1 1 54 54 LYS HB2 H 1 2.28 0.02 . 1 . . . . . . . . 5805 1 526 . 1 1 54 54 LYS HB3 H 1 2.28 0.02 . 1 . . . . . . . . 5805 1 527 . 1 1 54 54 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 5805 1 528 . 1 1 54 54 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 5805 1 529 . 1 1 54 54 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 5805 1 530 . 1 1 54 54 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 5805 1 531 . 1 1 54 54 LYS C C 13 173.70 0.1 . 1 . . . . . . . . 5805 1 532 . 1 1 54 54 LYS CA C 13 53.60 0.1 . 1 . . . . . . . . 5805 1 533 . 1 1 54 54 LYS CB C 13 35.30 0.1 . 1 . . . . . . . . 5805 1 534 . 1 1 54 54 LYS CG C 13 24.90 0.1 . 1 . . . . . . . . 5805 1 535 . 1 1 54 54 LYS CD C 13 29.20 0.1 . 1 . . . . . . . . 5805 1 536 . 1 1 54 54 LYS N N 15 126.30 0.2 . 1 . . . . . . . . 5805 1 537 . 1 1 55 55 VAL H H 1 8.58 0.02 . 1 . . . . . . . . 5805 1 538 . 1 1 55 55 VAL HA H 1 4.75 0.02 . 1 . . . . . . . . 5805 1 539 . 1 1 55 55 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 5805 1 540 . 1 1 55 55 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 5805 1 541 . 1 1 55 55 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 5805 1 542 . 1 1 55 55 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 5805 1 543 . 1 1 55 55 VAL HG21 H 1 0.98 0.02 . 2 . . . . . . . . 5805 1 544 . 1 1 55 55 VAL HG22 H 1 0.98 0.02 . 2 . . . . . . . . 5805 1 545 . 1 1 55 55 VAL HG23 H 1 0.98 0.02 . 2 . . . . . . . . 5805 1 546 . 1 1 55 55 VAL C C 13 175.20 0.1 . 1 . . . . . . . . 5805 1 547 . 1 1 55 55 VAL CA C 13 62.00 0.1 . 1 . . . . . . . . 5805 1 548 . 1 1 55 55 VAL CB C 13 32.60 0.1 . 1 . . . . . . . . 5805 1 549 . 1 1 55 55 VAL CG1 C 13 21.20 0.1 . 1 . . . . . . . . 5805 1 550 . 1 1 55 55 VAL CG2 C 13 21.20 0.1 . 1 . . . . . . . . 5805 1 551 . 1 1 55 55 VAL N N 15 124.10 0.2 . 1 . . . . . . . . 5805 1 552 . 1 1 56 56 VAL H H 1 9.00 0.02 . 1 . . . . . . . . 5805 1 553 . 1 1 56 56 VAL HA H 1 4.47 0.02 . 1 . . . . . . . . 5805 1 554 . 1 1 56 56 VAL HB H 1 1.88 0.02 . 1 . . . . . . . . 5805 1 555 . 1 1 56 56 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5805 1 556 . 1 1 56 56 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5805 1 557 . 1 1 56 56 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5805 1 558 . 1 1 56 56 VAL HG21 H 1 1.15 0.02 . 2 . . . . . . . . 5805 1 559 . 1 1 56 56 VAL HG22 H 1 1.15 0.02 . 2 . . . . . . . . 5805 1 560 . 1 1 56 56 VAL HG23 H 1 1.15 0.02 . 2 . . . . . . . . 5805 1 561 . 1 1 56 56 VAL C C 13 173.40 0.1 . 1 . . . . . . . . 5805 1 562 . 1 1 56 56 VAL CA C 13 60.30 0.1 . 1 . . . . . . . . 5805 1 563 . 1 1 56 56 VAL CB C 13 35.80 0.1 . 1 . . . . . . . . 5805 1 564 . 1 1 56 56 VAL CG1 C 13 23.50 0.1 . 1 . . . . . . . . 5805 1 565 . 1 1 56 56 VAL CG2 C 13 23.50 0.1 . 1 . . . . . . . . 5805 1 566 . 1 1 56 56 VAL N N 15 127.60 0.2 . 1 . . . . . . . . 5805 1 567 . 1 1 57 57 ALA H H 1 8.80 0.02 . 1 . . . . . . . . 5805 1 568 . 1 1 57 57 ALA HA H 1 4.45 0.02 . 1 . . . . . . . . 5805 1 569 . 1 1 57 57 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 5805 1 570 . 1 1 57 57 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 5805 1 571 . 1 1 57 57 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5805 1 572 . 1 1 57 57 ALA C C 13 175.00 0.1 . 1 . . . . . . . . 5805 1 573 . 1 1 57 57 ALA CA C 13 51.90 0.1 . 1 . . . . . . . . 5805 1 574 . 1 1 57 57 ALA CB C 13 18.70 0.1 . 1 . . . . . . . . 5805 1 575 . 1 1 57 57 ALA N N 15 129.50 0.2 . 1 . . . . . . . . 5805 1 576 . 1 1 58 58 LYS H H 1 7.33 0.02 . 1 . . . . . . . . 5805 1 577 . 1 1 58 58 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 5805 1 578 . 1 1 58 58 LYS HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 579 . 1 1 58 58 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 580 . 1 1 58 58 LYS HD2 H 1 2.01 0.02 . 1 . . . . . . . . 5805 1 581 . 1 1 58 58 LYS HD3 H 1 2.01 0.02 . 1 . . . . . . . . 5805 1 582 . 1 1 58 58 LYS HE2 H 1 2.30 0.02 . 1 . . . . . . . . 5805 1 583 . 1 1 58 58 LYS HE3 H 1 2.30 0.02 . 1 . . . . . . . . 5805 1 584 . 1 1 58 58 LYS C C 13 177.50 0.1 . 1 . . . . . . . . 5805 1 585 . 1 1 58 58 LYS CA C 13 59.20 0.1 . 1 . . . . . . . . 5805 1 586 . 1 1 58 58 LYS CB C 13 34.70 0.1 . 1 . . . . . . . . 5805 1 587 . 1 1 58 58 LYS CG C 13 29.60 0.1 . 1 . . . . . . . . 5805 1 588 . 1 1 58 58 LYS CE C 13 43.90 0.1 . 1 . . . . . . . . 5805 1 589 . 1 1 58 58 LYS N N 15 115.30 0.2 . 1 . . . . . . . . 5805 1 590 . 1 1 59 59 ARG H H 1 8.25 0.02 . 1 . . . . . . . . 5805 1 591 . 1 1 59 59 ARG HA H 1 3.82 0.02 . 1 . . . . . . . . 5805 1 592 . 1 1 59 59 ARG HB2 H 1 1.77 0.02 . 1 . . . . . . . . 5805 1 593 . 1 1 59 59 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5805 1 594 . 1 1 59 59 ARG HG2 H 1 1.52 0.02 . 1 . . . . . . . . 5805 1 595 . 1 1 59 59 ARG HG3 H 1 1.52 0.02 . 1 . . . . . . . . 5805 1 596 . 1 1 59 59 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 5805 1 597 . 1 1 59 59 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 5805 1 598 . 1 1 59 59 ARG C C 13 177.10 0.1 . 1 . . . . . . . . 5805 1 599 . 1 1 59 59 ARG CA C 13 58.60 0.1 . 1 . . . . . . . . 5805 1 600 . 1 1 59 59 ARG CB C 13 29.80 0.1 . 1 . . . . . . . . 5805 1 601 . 1 1 59 59 ARG CG C 13 27.40 0.1 . 1 . . . . . . . . 5805 1 602 . 1 1 59 59 ARG CD C 13 43.60 0.1 . 1 . . . . . . . . 5805 1 603 . 1 1 59 59 ARG N N 15 116.90 0.2 . 1 . . . . . . . . 5805 1 604 . 1 1 60 60 GLY H H 1 9.24 0.02 . 1 . . . . . . . . 5805 1 605 . 1 1 60 60 GLY HA2 H 1 4.10 0.02 . 2 . . . . . . . . 5805 1 606 . 1 1 60 60 GLY HA3 H 1 3.75 0.02 . 2 . . . . . . . . 5805 1 607 . 1 1 60 60 GLY C C 13 173.50 0.1 . 1 . . . . . . . . 5805 1 608 . 1 1 60 60 GLY CA C 13 45.60 0.1 . 1 . . . . . . . . 5805 1 609 . 1 1 60 60 GLY N N 15 114.30 0.2 . 1 . . . . . . . . 5805 1 610 . 1 1 61 61 ARG H H 1 7.73 0.02 . 1 . . . . . . . . 5805 1 611 . 1 1 61 61 ARG HA H 1 4.91 0.02 . 1 . . . . . . . . 5805 1 612 . 1 1 61 61 ARG HB2 H 1 1.71 0.02 . 2 . . . . . . . . 5805 1 613 . 1 1 61 61 ARG HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5805 1 614 . 1 1 61 61 ARG HG2 H 1 1.14 0.02 . 1 . . . . . . . . 5805 1 615 . 1 1 61 61 ARG HG3 H 1 1.14 0.02 . 1 . . . . . . . . 5805 1 616 . 1 1 61 61 ARG HD2 H 1 2.75 0.02 . 2 . . . . . . . . 5805 1 617 . 1 1 61 61 ARG HD3 H 1 2.91 0.02 . 2 . . . . . . . . 5805 1 618 . 1 1 61 61 ARG C C 13 175.80 0.1 . 1 . . . . . . . . 5805 1 619 . 1 1 61 61 ARG CA C 13 56.50 0.1 . 1 . . . . . . . . 5805 1 620 . 1 1 61 61 ARG CB C 13 31.00 0.1 . 1 . . . . . . . . 5805 1 621 . 1 1 61 61 ARG CG C 13 26.90 0.1 . 1 . . . . . . . . 5805 1 622 . 1 1 61 61 ARG CD C 13 44.20 0.1 . 1 . . . . . . . . 5805 1 623 . 1 1 61 61 ARG N N 15 123.30 0.2 . 1 . . . . . . . . 5805 1 624 . 1 1 62 62 THR H H 1 8.19 0.02 . 1 . . . . . . . . 5805 1 625 . 1 1 62 62 THR HA H 1 4.77 0.02 . 1 . . . . . . . . 5805 1 626 . 1 1 62 62 THR HB H 1 3.65 0.02 . 1 . . . . . . . . 5805 1 627 . 1 1 62 62 THR HG21 H 1 0.97 0.02 . 1 . . . . . . . . 5805 1 628 . 1 1 62 62 THR HG22 H 1 0.97 0.02 . 1 . . . . . . . . 5805 1 629 . 1 1 62 62 THR HG23 H 1 0.97 0.02 . 1 . . . . . . . . 5805 1 630 . 1 1 62 62 THR C C 13 171.80 0.1 . 1 . . . . . . . . 5805 1 631 . 1 1 62 62 THR CA C 13 62.50 0.1 . 1 . . . . . . . . 5805 1 632 . 1 1 62 62 THR CB C 13 69.50 0.1 . 1 . . . . . . . . 5805 1 633 . 1 1 62 62 THR CG2 C 13 21.20 0.1 . 1 . . . . . . . . 5805 1 634 . 1 1 62 62 THR N N 15 116.50 0.2 . 1 . . . . . . . . 5805 1 635 . 1 1 63 63 PHE H H 1 9.15 0.02 . 1 . . . . . . . . 5805 1 636 . 1 1 63 63 PHE HA H 1 5.52 0.02 . 1 . . . . . . . . 5805 1 637 . 1 1 63 63 PHE HB2 H 1 2.97 0.02 . 2 . . . . . . . . 5805 1 638 . 1 1 63 63 PHE HB3 H 1 3.05 0.02 . 2 . . . . . . . . 5805 1 639 . 1 1 63 63 PHE HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5805 1 640 . 1 1 63 63 PHE HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5805 1 641 . 1 1 63 63 PHE HE1 H 1 7.01 0.02 . 1 . . . . . . . . 5805 1 642 . 1 1 63 63 PHE HE2 H 1 7.01 0.02 . 1 . . . . . . . . 5805 1 643 . 1 1 63 63 PHE C C 13 174.40 0.1 . 1 . . . . . . . . 5805 1 644 . 1 1 63 63 PHE CA C 13 56.70 0.1 . 1 . . . . . . . . 5805 1 645 . 1 1 63 63 PHE CB C 13 42.30 0.1 . 1 . . . . . . . . 5805 1 646 . 1 1 63 63 PHE N N 15 126.50 0.2 . 1 . . . . . . . . 5805 1 647 . 1 1 64 64 ARG H H 1 9.75 0.02 . 1 . . . . . . . . 5805 1 648 . 1 1 64 64 ARG HA H 1 5.12 0.02 . 1 . . . . . . . . 5805 1 649 . 1 1 64 64 ARG HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5805 1 650 . 1 1 64 64 ARG HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5805 1 651 . 1 1 64 64 ARG HG2 H 1 1.49 0.02 . 1 . . . . . . . . 5805 1 652 . 1 1 64 64 ARG HG3 H 1 1.49 0.02 . 1 . . . . . . . . 5805 1 653 . 1 1 64 64 ARG HD2 H 1 2.90 0.02 . 1 . . . . . . . . 5805 1 654 . 1 1 64 64 ARG HD3 H 1 2.90 0.02 . 1 . . . . . . . . 5805 1 655 . 1 1 64 64 ARG C C 13 174.10 0.1 . 1 . . . . . . . . 5805 1 656 . 1 1 64 64 ARG CA C 13 55.30 0.1 . 1 . . . . . . . . 5805 1 657 . 1 1 64 64 ARG CB C 13 33.10 0.1 . 1 . . . . . . . . 5805 1 658 . 1 1 64 64 ARG CG C 13 27.40 0.1 . 1 . . . . . . . . 5805 1 659 . 1 1 64 64 ARG CD C 13 44.20 0.1 . 1 . . . . . . . . 5805 1 660 . 1 1 64 64 ARG N N 15 123.80 0.2 . 1 . . . . . . . . 5805 1 661 . 1 1 65 65 VAL H H 1 8.82 0.02 . 1 . . . . . . . . 5805 1 662 . 1 1 65 65 VAL HA H 1 4.88 0.02 . 1 . . . . . . . . 5805 1 663 . 1 1 65 65 VAL HB H 1 1.48 0.02 . 1 . . . . . . . . 5805 1 664 . 1 1 65 65 VAL HG11 H 1 0.38 0.02 . 2 . . . . . . . . 5805 1 665 . 1 1 65 65 VAL HG12 H 1 0.38 0.02 . 2 . . . . . . . . 5805 1 666 . 1 1 65 65 VAL HG13 H 1 0.38 0.02 . 2 . . . . . . . . 5805 1 667 . 1 1 65 65 VAL HG21 H 1 0.44 0.02 . 2 . . . . . . . . 5805 1 668 . 1 1 65 65 VAL HG22 H 1 0.44 0.02 . 2 . . . . . . . . 5805 1 669 . 1 1 65 65 VAL HG23 H 1 0.44 0.02 . 2 . . . . . . . . 5805 1 670 . 1 1 65 65 VAL C C 13 173.60 0.1 . 1 . . . . . . . . 5805 1 671 . 1 1 65 65 VAL CA C 13 60.80 0.1 . 1 . . . . . . . . 5805 1 672 . 1 1 65 65 VAL CB C 13 35.40 0.1 . 1 . . . . . . . . 5805 1 673 . 1 1 65 65 VAL CG1 C 13 21.70 0.1 . 1 . . . . . . . . 5805 1 674 . 1 1 65 65 VAL CG2 C 13 21.70 0.1 . 1 . . . . . . . . 5805 1 675 . 1 1 65 65 VAL N N 15 123.80 0.2 . 1 . . . . . . . . 5805 1 676 . 1 1 66 66 TRP H H 1 8.34 0.02 . 1 . . . . . . . . 5805 1 677 . 1 1 66 66 TRP HA H 1 4.90 0.02 . 1 . . . . . . . . 5805 1 678 . 1 1 66 66 TRP HB2 H 1 3.13 0.02 . 2 . . . . . . . . 5805 1 679 . 1 1 66 66 TRP HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5805 1 680 . 1 1 66 66 TRP HD1 H 1 7.13 0.02 . 1 . . . . . . . . 5805 1 681 . 1 1 66 66 TRP HE1 H 1 10.01 0.02 . 1 . . . . . . . . 5805 1 682 . 1 1 66 66 TRP HE3 H 1 7.75 0.02 . 1 . . . . . . . . 5805 1 683 . 1 1 66 66 TRP HZ2 H 1 7.36 0.02 . 1 . . . . . . . . 5805 1 684 . 1 1 66 66 TRP HZ3 H 1 6.88 0.02 . 1 . . . . . . . . 5805 1 685 . 1 1 66 66 TRP HH2 H 1 7.32 0.02 . 1 . . . . . . . . 5805 1 686 . 1 1 66 66 TRP C C 13 174.80 0.1 . 1 . . . . . . . . 5805 1 687 . 1 1 66 66 TRP CA C 13 58.50 0.1 . 1 . . . . . . . . 5805 1 688 . 1 1 66 66 TRP CB C 13 31.20 0.1 . 1 . . . . . . . . 5805 1 689 . 1 1 66 66 TRP N N 15 130.20 0.2 . 1 . . . . . . . . 5805 1 690 . 1 1 67 67 TYR H H 1 8.68 0.02 . 1 . . . . . . . . 5805 1 691 . 1 1 67 67 TYR HA H 1 4.84 0.02 . 1 . . . . . . . . 5805 1 692 . 1 1 67 67 TYR HB2 H 1 2.60 0.02 . 2 . . . . . . . . 5805 1 693 . 1 1 67 67 TYR HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5805 1 694 . 1 1 67 67 TYR HD1 H 1 7.04 0.02 . 1 . . . . . . . . 5805 1 695 . 1 1 67 67 TYR HD2 H 1 7.04 0.02 . 1 . . . . . . . . 5805 1 696 . 1 1 67 67 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 5805 1 697 . 1 1 67 67 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 5805 1 698 . 1 1 67 67 TYR C C 13 173.50 0.1 . 1 . . . . . . . . 5805 1 699 . 1 1 67 67 TYR CA C 13 57.30 0.1 . 1 . . . . . . . . 5805 1 700 . 1 1 67 67 TYR CB C 13 41.20 0.1 . 1 . . . . . . . . 5805 1 701 . 1 1 67 67 TYR N N 15 125.00 0.2 . 1 . . . . . . . . 5805 1 702 . 1 1 68 68 LYS H H 1 8.94 0.02 . 1 . . . . . . . . 5805 1 703 . 1 1 68 68 LYS HA H 1 3.62 0.02 . 1 . . . . . . . . 5805 1 704 . 1 1 68 68 LYS HB2 H 1 1.39 0.02 . 2 . . . . . . . . 5805 1 705 . 1 1 68 68 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5805 1 706 . 1 1 68 68 LYS HG2 H 1 0.44 0.02 . 2 . . . . . . . . 5805 1 707 . 1 1 68 68 LYS HG3 H 1 0.67 0.02 . 2 . . . . . . . . 5805 1 708 . 1 1 68 68 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 5805 1 709 . 1 1 68 68 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 5805 1 710 . 1 1 68 68 LYS C C 13 175.60 0.1 . 1 . . . . . . . . 5805 1 711 . 1 1 68 68 LYS CA C 13 57.10 0.1 . 1 . . . . . . . . 5805 1 712 . 1 1 68 68 LYS CB C 13 30.10 0.1 . 1 . . . . . . . . 5805 1 713 . 1 1 68 68 LYS CG C 13 23.90 0.1 . 1 . . . . . . . . 5805 1 714 . 1 1 68 68 LYS CE C 13 42.20 0.1 . 1 . . . . . . . . 5805 1 715 . 1 1 68 68 LYS N N 15 126.00 0.2 . 1 . . . . . . . . 5805 1 716 . 1 1 69 69 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 5805 1 717 . 1 1 69 69 GLY HA2 H 1 4.15 0.02 . 2 . . . . . . . . 5805 1 718 . 1 1 69 69 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 5805 1 719 . 1 1 69 69 GLY C C 13 173.20 0.1 . 1 . . . . . . . . 5805 1 720 . 1 1 69 69 GLY CA C 13 45.60 0.1 . 1 . . . . . . . . 5805 1 721 . 1 1 69 69 GLY N N 15 104.90 0.2 . 1 . . . . . . . . 5805 1 722 . 1 1 70 70 LYS H H 1 7.91 0.02 . 1 . . . . . . . . 5805 1 723 . 1 1 70 70 LYS HA H 1 4.61 0.02 . 1 . . . . . . . . 5805 1 724 . 1 1 70 70 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5805 1 725 . 1 1 70 70 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5805 1 726 . 1 1 70 70 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 5805 1 727 . 1 1 70 70 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 5805 1 728 . 1 1 70 70 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5805 1 729 . 1 1 70 70 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5805 1 730 . 1 1 70 70 LYS C C 13 174.40 0.1 . 1 . . . . . . . . 5805 1 731 . 1 1 70 70 LYS CA C 13 54.30 0.1 . 1 . . . . . . . . 5805 1 732 . 1 1 70 70 LYS CB C 13 35.30 0.1 . 1 . . . . . . . . 5805 1 733 . 1 1 70 70 LYS CG C 13 24.90 0.1 . 1 . . . . . . . . 5805 1 734 . 1 1 70 70 LYS CD C 13 29.20 0.1 . 1 . . . . . . . . 5805 1 735 . 1 1 70 70 LYS N N 15 121.00 0.2 . 1 . . . . . . . . 5805 1 736 . 1 1 71 71 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 5805 1 737 . 1 1 71 71 ILE HA H 1 4.41 0.02 . 1 . . . . . . . . 5805 1 738 . 1 1 71 71 ILE HB H 1 1.31 0.02 . 1 . . . . . . . . 5805 1 739 . 1 1 71 71 ILE HG12 H 1 1.11 0.02 . 1 . . . . . . . . 5805 1 740 . 1 1 71 71 ILE HG13 H 1 -0.17 0.02 . 1 . . . . . . . . 5805 1 741 . 1 1 71 71 ILE HG21 H 1 0.01 0.02 . 1 . . . . . . . . 5805 1 742 . 1 1 71 71 ILE HG22 H 1 0.01 0.02 . 1 . . . . . . . . 5805 1 743 . 1 1 71 71 ILE HG23 H 1 0.01 0.02 . 1 . . . . . . . . 5805 1 744 . 1 1 71 71 ILE HD11 H 1 0.64 0.02 . 1 . . . . . . . . 5805 1 745 . 1 1 71 71 ILE HD12 H 1 0.64 0.02 . 1 . . . . . . . . 5805 1 746 . 1 1 71 71 ILE HD13 H 1 0.64 0.02 . 1 . . . . . . . . 5805 1 747 . 1 1 71 71 ILE C C 13 175.60 0.1 . 1 . . . . . . . . 5805 1 748 . 1 1 71 71 ILE CA C 13 60.80 0.1 . 1 . . . . . . . . 5805 1 749 . 1 1 71 71 ILE CB C 13 38.80 0.1 . 1 . . . . . . . . 5805 1 750 . 1 1 71 71 ILE CG1 C 13 26.90 0.1 . 1 . . . . . . . . 5805 1 751 . 1 1 71 71 ILE CG2 C 13 17.90 0.1 . 1 . . . . . . . . 5805 1 752 . 1 1 71 71 ILE CD1 C 13 13.90 0.1 . 1 . . . . . . . . 5805 1 753 . 1 1 71 71 ILE N N 15 121.70 0.2 . 1 . . . . . . . . 5805 1 754 . 1 1 72 72 MET H H 1 8.94 0.02 . 1 . . . . . . . . 5805 1 755 . 1 1 72 72 MET HA H 1 4.69 0.02 . 1 . . . . . . . . 5805 1 756 . 1 1 72 72 MET HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 757 . 1 1 72 72 MET HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 758 . 1 1 72 72 MET HG2 H 1 1.72 0.02 . 1 . . . . . . . . 5805 1 759 . 1 1 72 72 MET HG3 H 1 1.72 0.02 . 1 . . . . . . . . 5805 1 760 . 1 1 72 72 MET C C 13 173.40 0.1 . 1 . . . . . . . . 5805 1 761 . 1 1 72 72 MET CA C 13 54.20 0.1 . 1 . . . . . . . . 5805 1 762 . 1 1 72 72 MET CB C 13 36.00 0.1 . 1 . . . . . . . . 5805 1 763 . 1 1 72 72 MET CG C 13 33.30 0.1 . 1 . . . . . . . . 5805 1 764 . 1 1 72 72 MET N N 15 126.70 0.2 . 1 . . . . . . . . 5805 1 765 . 1 1 73 73 ARG H H 1 8.46 0.02 . 1 . . . . . . . . 5805 1 766 . 1 1 73 73 ARG HA H 1 5.22 0.02 . 1 . . . . . . . . 5805 1 767 . 1 1 73 73 ARG HB2 H 1 1.20 0.02 . 2 . . . . . . . . 5805 1 768 . 1 1 73 73 ARG HB3 H 1 1.22 0.02 . 2 . . . . . . . . 5805 1 769 . 1 1 73 73 ARG HG2 H 1 1.37 0.02 . 2 . . . . . . . . 5805 1 770 . 1 1 73 73 ARG HG3 H 1 1.64 0.02 . 2 . . . . . . . . 5805 1 771 . 1 1 73 73 ARG HD2 H 1 3.07 0.02 . 2 . . . . . . . . 5805 1 772 . 1 1 73 73 ARG HD3 H 1 3.21 0.02 . 2 . . . . . . . . 5805 1 773 . 1 1 73 73 ARG C C 13 174.90 0.1 . 1 . . . . . . . . 5805 1 774 . 1 1 73 73 ARG CA C 13 55.20 0.1 . 1 . . . . . . . . 5805 1 775 . 1 1 73 73 ARG CB C 13 32.10 0.1 . 1 . . . . . . . . 5805 1 776 . 1 1 73 73 ARG CG C 13 27.40 0.1 . 1 . . . . . . . . 5805 1 777 . 1 1 73 73 ARG CD C 13 43.50 0.1 . 1 . . . . . . . . 5805 1 778 . 1 1 73 73 ARG N N 15 123.30 0.2 . 1 . . . . . . . . 5805 1 779 . 1 1 74 74 ILE H H 1 9.40 0.02 . 1 . . . . . . . . 5805 1 780 . 1 1 74 74 ILE HA H 1 4.63 0.02 . 1 . . . . . . . . 5805 1 781 . 1 1 74 74 ILE HB H 1 1.98 0.02 . 1 . . . . . . . . 5805 1 782 . 1 1 74 74 ILE HG12 H 1 1.42 0.02 . 1 . . . . . . . . 5805 1 783 . 1 1 74 74 ILE HG13 H 1 1.42 0.02 . 1 . . . . . . . . 5805 1 784 . 1 1 74 74 ILE HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5805 1 785 . 1 1 74 74 ILE HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5805 1 786 . 1 1 74 74 ILE HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5805 1 787 . 1 1 74 74 ILE C C 13 174.50 0.1 . 1 . . . . . . . . 5805 1 788 . 1 1 74 74 ILE CA C 13 59.10 0.1 . 1 . . . . . . . . 5805 1 789 . 1 1 74 74 ILE CB C 13 41.90 0.1 . 1 . . . . . . . . 5805 1 790 . 1 1 74 74 ILE CG1 C 13 24.90 0.1 . 2 . . . . . . . . 5805 1 791 . 1 1 74 74 ILE CG2 C 13 24.90 0.1 . 2 . . . . . . . . 5805 1 792 . 1 1 74 74 ILE N N 15 126.00 0.2 . 1 . . . . . . . . 5805 1 793 . 1 1 75 75 LYS H H 1 8.60 0.02 . 1 . . . . . . . . 5805 1 794 . 1 1 75 75 LYS HA H 1 4.66 0.02 . 1 . . . . . . . . 5805 1 795 . 1 1 75 75 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5805 1 796 . 1 1 75 75 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5805 1 797 . 1 1 75 75 LYS HG2 H 1 2.04 0.02 . 1 . . . . . . . . 5805 1 798 . 1 1 75 75 LYS HG3 H 1 2.04 0.02 . 1 . . . . . . . . 5805 1 799 . 1 1 75 75 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 5805 1 800 . 1 1 75 75 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 5805 1 801 . 1 1 75 75 LYS C C 13 176.80 0.1 . 1 . . . . . . . . 5805 1 802 . 1 1 75 75 LYS CA C 13 56.90 0.1 . 1 . . . . . . . . 5805 1 803 . 1 1 75 75 LYS CB C 13 32.90 0.1 . 1 . . . . . . . . 5805 1 804 . 1 1 75 75 LYS CG C 13 24.60 0.1 . 1 . . . . . . . . 5805 1 805 . 1 1 75 75 LYS CD C 13 29.20 0.1 . 1 . . . . . . . . 5805 1 806 . 1 1 75 75 LYS N N 15 129.00 0.2 . 1 . . . . . . . . 5805 1 807 . 1 1 76 76 GLY H H 1 9.63 0.02 . 1 . . . . . . . . 5805 1 808 . 1 1 76 76 GLY HA2 H 1 4.70 0.02 . 2 . . . . . . . . 5805 1 809 . 1 1 76 76 GLY HA3 H 1 3.70 0.02 . 2 . . . . . . . . 5805 1 810 . 1 1 76 76 GLY C C 13 175.30 0.1 . 1 . . . . . . . . 5805 1 811 . 1 1 76 76 GLY CA C 13 47.20 0.1 . 1 . . . . . . . . 5805 1 812 . 1 1 76 76 GLY N N 15 113.40 0.2 . 1 . . . . . . . . 5805 1 813 . 1 1 77 77 ASP H H 1 8.71 0.02 . 1 . . . . . . . . 5805 1 814 . 1 1 77 77 ASP HA H 1 4.26 0.02 . 1 . . . . . . . . 5805 1 815 . 1 1 77 77 ASP HB2 H 1 2.43 0.02 . 2 . . . . . . . . 5805 1 816 . 1 1 77 77 ASP HB3 H 1 2.70 0.02 . 2 . . . . . . . . 5805 1 817 . 1 1 77 77 ASP C C 13 176.70 0.1 . 1 . . . . . . . . 5805 1 818 . 1 1 77 77 ASP CA C 13 56.60 0.1 . 1 . . . . . . . . 5805 1 819 . 1 1 77 77 ASP CB C 13 40.80 0.1 . 1 . . . . . . . . 5805 1 820 . 1 1 77 77 ASP N N 15 117.10 0.2 . 1 . . . . . . . . 5805 1 821 . 1 1 78 78 LEU H H 1 7.83 0.02 . 1 . . . . . . . . 5805 1 822 . 1 1 78 78 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5805 1 823 . 1 1 78 78 LEU HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 824 . 1 1 78 78 LEU HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 825 . 1 1 78 78 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 5805 1 826 . 1 1 78 78 LEU HD11 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 827 . 1 1 78 78 LEU HD12 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 828 . 1 1 78 78 LEU HD13 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 829 . 1 1 78 78 LEU HD21 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 830 . 1 1 78 78 LEU HD22 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 831 . 1 1 78 78 LEU HD23 H 1 1.10 0.02 . 1 . . . . . . . . 5805 1 832 . 1 1 78 78 LEU C C 13 175.80 0.1 . 1 . . . . . . . . 5805 1 833 . 1 1 78 78 LEU CA C 13 56.30 0.1 . 1 . . . . . . . . 5805 1 834 . 1 1 78 78 LEU CB C 13 42.50 0.1 . 1 . . . . . . . . 5805 1 835 . 1 1 78 78 LEU CG C 13 27.20 0.1 . 1 . . . . . . . . 5805 1 836 . 1 1 78 78 LEU CD1 C 13 25.20 0.1 . 1 . . . . . . . . 5805 1 837 . 1 1 78 78 LEU CD2 C 13 25.20 0.1 . 1 . . . . . . . . 5805 1 838 . 1 1 78 78 LEU N N 15 116.20 0.2 . 1 . . . . . . . . 5805 1 839 . 1 1 85 85 ASP H H 1 8.29 0.02 . 1 . . . . . . . . 5805 1 840 . 1 1 85 85 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 5805 1 841 . 1 1 85 85 ASP HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5805 1 842 . 1 1 85 85 ASP HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5805 1 843 . 1 1 85 85 ASP C C 13 175.80 0.1 . 1 . . . . . . . . 5805 1 844 . 1 1 85 85 ASP CA C 13 55.30 0.1 . 1 . . . . . . . . 5805 1 845 . 1 1 85 85 ASP CB C 13 42.50 0.1 . 1 . . . . . . . . 5805 1 846 . 1 1 85 85 ASP N N 15 118.70 0.2 . 1 . . . . . . . . 5805 1 847 . 1 1 86 86 ARG H H 1 7.81 0.02 . 1 . . . . . . . . 5805 1 848 . 1 1 86 86 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 5805 1 849 . 1 1 86 86 ARG HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 850 . 1 1 86 86 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 851 . 1 1 86 86 ARG HG2 H 1 2.10 0.02 . 1 . . . . . . . . 5805 1 852 . 1 1 86 86 ARG HG3 H 1 2.10 0.02 . 1 . . . . . . . . 5805 1 853 . 1 1 86 86 ARG C C 13 176.30 0.1 . 1 . . . . . . . . 5805 1 854 . 1 1 86 86 ARG CA C 13 57.30 0.1 . 1 . . . . . . . . 5805 1 855 . 1 1 86 86 ARG CB C 13 30.80 0.1 . 1 . . . . . . . . 5805 1 856 . 1 1 86 86 ARG CG C 13 27.30 0.1 . 1 . . . . . . . . 5805 1 857 . 1 1 86 86 ARG N N 15 125.10 0.2 . 1 . . . . . . . . 5805 1 858 . 1 1 87 87 ILE H H 1 7.80 0.02 . 1 . . . . . . . . 5805 1 859 . 1 1 87 87 ILE HA H 1 4.07 0.02 . 1 . . . . . . . . 5805 1 860 . 1 1 87 87 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 5805 1 861 . 1 1 87 87 ILE HG12 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 862 . 1 1 87 87 ILE HG13 H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 863 . 1 1 87 87 ILE HG21 H 1 1.36 0.02 . 1 . . . . . . . . 5805 1 864 . 1 1 87 87 ILE HG22 H 1 1.36 0.02 . 1 . . . . . . . . 5805 1 865 . 1 1 87 87 ILE HG23 H 1 1.36 0.02 . 1 . . . . . . . . 5805 1 866 . 1 1 87 87 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 867 . 1 1 87 87 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 868 . 1 1 87 87 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 869 . 1 1 87 87 ILE C C 13 175.90 0.1 . 1 . . . . . . . . 5805 1 870 . 1 1 87 87 ILE CA C 13 62.20 0.1 . 1 . . . . . . . . 5805 1 871 . 1 1 87 87 ILE CB C 13 38.40 0.1 . 1 . . . . . . . . 5805 1 872 . 1 1 87 87 ILE CG1 C 13 26.40 0.1 . 1 . . . . . . . . 5805 1 873 . 1 1 87 87 ILE CG2 C 13 26.40 0.1 . 1 . . . . . . . . 5805 1 874 . 1 1 87 87 ILE CD1 C 13 13.40 0.1 . 1 . . . . . . . . 5805 1 875 . 1 1 87 87 ILE N N 15 119.80 0.2 . 1 . . . . . . . . 5805 1 876 . 1 1 88 88 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 5805 1 877 . 1 1 88 88 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 5805 1 878 . 1 1 88 88 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 5805 1 879 . 1 1 88 88 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 5805 1 880 . 1 1 88 88 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 5805 1 881 . 1 1 88 88 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 5805 1 882 . 1 1 88 88 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5805 1 883 . 1 1 88 88 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5805 1 884 . 1 1 88 88 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5805 1 885 . 1 1 88 88 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5805 1 886 . 1 1 88 88 LYS C C 13 174.50 0.1 . 1 . . . . . . . . 5805 1 887 . 1 1 88 88 LYS CA C 13 56.70 0.1 . 1 . . . . . . . . 5805 1 888 . 1 1 88 88 LYS CB C 13 32.90 0.1 . 1 . . . . . . . . 5805 1 889 . 1 1 88 88 LYS CG C 13 25.40 0.1 . 1 . . . . . . . . 5805 1 890 . 1 1 88 88 LYS CD C 13 29.60 0.1 . 1 . . . . . . . . 5805 1 891 . 1 1 88 88 LYS CE C 13 42.30 0.1 . 1 . . . . . . . . 5805 1 892 . 1 1 88 88 LYS N N 15 123.80 0.2 . 1 . . . . . . . . 5805 1 893 . 1 1 89 89 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 5805 1 894 . 1 1 89 89 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 5805 1 895 . 1 1 89 89 ARG HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5805 1 896 . 1 1 89 89 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . 5805 1 897 . 1 1 89 89 ARG HG2 H 1 1.53 0.02 . 1 . . . . . . . . 5805 1 898 . 1 1 89 89 ARG HG3 H 1 1.53 0.02 . 1 . . . . . . . . 5805 1 899 . 1 1 89 89 ARG C C 13 177.50 0.1 . 1 . . . . . . . . 5805 1 900 . 1 1 89 89 ARG CA C 13 56.50 0.1 . 1 . . . . . . . . 5805 1 901 . 1 1 89 89 ARG CB C 13 30.90 0.1 . 1 . . . . . . . . 5805 1 902 . 1 1 89 89 ARG CG C 13 27.90 0.1 . 1 . . . . . . . . 5805 1 903 . 1 1 89 89 ARG N N 15 120.60 0.2 . 1 . . . . . . . . 5805 1 904 . 1 1 90 90 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 5805 1 905 . 1 1 90 90 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 5805 1 906 . 1 1 90 90 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 5805 1 907 . 1 1 90 90 GLY C C 13 176.80 0.1 . 1 . . . . . . . . 5805 1 908 . 1 1 90 90 GLY CA C 13 45.50 0.1 . 1 . . . . . . . . 5805 1 909 . 1 1 90 90 GLY N N 15 108.80 0.2 . 1 . . . . . . . . 5805 1 910 . 1 1 91 91 LEU H H 1 7.99 0.02 . 1 . . . . . . . . 5805 1 911 . 1 1 91 91 LEU HA H 1 4.60 0.02 . 1 . . . . . . . . 5805 1 912 . 1 1 91 91 LEU HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5805 1 913 . 1 1 91 91 LEU HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5805 1 914 . 1 1 91 91 LEU HG H 1 1.41 0.02 . 1 . . . . . . . . 5805 1 915 . 1 1 91 91 LEU HD11 H 1 1.66 0.02 . 1 . . . . . . . . 5805 1 916 . 1 1 91 91 LEU HD12 H 1 1.66 0.02 . 1 . . . . . . . . 5805 1 917 . 1 1 91 91 LEU HD13 H 1 1.66 0.02 . 1 . . . . . . . . 5805 1 918 . 1 1 91 91 LEU HD21 H 1 1.66 0.02 . 1 . . . . . . . . 5805 1 919 . 1 1 91 91 LEU HD22 H 1 1.66 0.02 . 1 . . . . . . . . 5805 1 920 . 1 1 91 91 LEU HD23 H 1 1.66 0.02 . 1 . . . . . . . . 5805 1 921 . 1 1 91 91 LEU C C 13 176.30 0.1 . 1 . . . . . . . . 5805 1 922 . 1 1 91 91 LEU CA C 13 55.30 0.1 . 1 . . . . . . . . 5805 1 923 . 1 1 91 91 LEU CB C 13 42.60 0.1 . 1 . . . . . . . . 5805 1 924 . 1 1 91 91 LEU CG C 13 27.20 0.1 . 1 . . . . . . . . 5805 1 925 . 1 1 91 91 LEU CD1 C 13 24.20 0.1 . 1 . . . . . . . . 5805 1 926 . 1 1 91 91 LEU CD2 C 13 24.20 0.1 . 1 . . . . . . . . 5805 1 927 . 1 1 91 91 LEU N N 15 121.00 0.2 . 1 . . . . . . . . 5805 1 928 . 1 1 92 92 MET H H 1 7.82 0.02 . 1 . . . . . . . . 5805 1 929 . 1 1 92 92 MET HA H 1 4.27 0.02 . 1 . . . . . . . . 5805 1 930 . 1 1 92 92 MET HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5805 1 931 . 1 1 92 92 MET HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5805 1 932 . 1 1 92 92 MET HG2 H 1 2.11 0.02 . 2 . . . . . . . . 5805 1 933 . 1 1 92 92 MET HG3 H 1 2.53 0.02 . 2 . . . . . . . . 5805 1 934 . 1 1 92 92 MET C C 13 180.10 0.1 . 1 . . . . . . . . 5805 1 935 . 1 1 92 92 MET CA C 13 57.40 0.1 . 1 . . . . . . . . 5805 1 936 . 1 1 92 92 MET CB C 13 34.30 0.1 . 1 . . . . . . . . 5805 1 937 . 1 1 92 92 MET CG C 13 33.40 0.1 . 1 . . . . . . . . 5805 1 938 . 1 1 92 92 MET N N 15 124.80 0.2 . 1 . . . . . . . . 5805 1 939 . 1 1 93 93 MET C C 13 176.2 0.1 . 1 . . . . . . . . 5805 1 940 . 1 1 93 93 MET CA C 13 56.00 0.1 . 1 . . . . . . . . 5805 1 941 . 1 1 93 93 MET CB C 13 31.10 0.1 . 1 . . . . . . . . 5805 1 942 . 1 1 94 94 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 5805 1 943 . 1 1 94 94 LEU HA H 1 4.77 0.02 . 1 . . . . . . . . 5805 1 944 . 1 1 94 94 LEU C C 13 172.20 0.1 . 1 . . . . . . . . 5805 1 945 . 1 1 94 94 LEU CA C 13 53.10 0.1 . 1 . . . . . . . . 5805 1 946 . 1 1 94 94 LEU CB C 13 42.70 0.1 . 1 . . . . . . . . 5805 1 947 . 1 1 94 94 LEU N N 15 116.90 0.2 . 1 . . . . . . . . 5805 1 948 . 1 1 95 95 LYS H H 1 8.61 0.02 . 1 . . . . . . . . 5805 1 949 . 1 1 95 95 LYS HA H 1 4.78 0.02 . 1 . . . . . . . . 5805 1 950 . 1 1 95 95 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5805 1 951 . 1 1 95 95 LYS HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5805 1 952 . 1 1 95 95 LYS C C 13 175.20 0.1 . 1 . . . . . . . . 5805 1 953 . 1 1 95 95 LYS CA C 13 55.60 0.1 . 1 . . . . . . . . 5805 1 954 . 1 1 95 95 LYS CB C 13 32.70 0.1 . 1 . . . . . . . . 5805 1 955 . 1 1 95 95 LYS N N 15 122.40 0.2 . 1 . . . . . . . . 5805 1 956 . 1 1 96 96 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 5805 1 957 . 1 1 96 96 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 5805 1 958 . 1 1 96 96 ARG HB2 H 1 1.78 0.02 . 1 . . . . . . . . 5805 1 959 . 1 1 96 96 ARG HB3 H 1 1.78 0.02 . 1 . . . . . . . . 5805 1 960 . 1 1 96 96 ARG C C 13 175.90 0.1 . 1 . . . . . . . . 5805 1 961 . 1 1 96 96 ARG CA C 13 56.70 0.1 . 1 . . . . . . . . 5805 1 962 . 1 1 96 96 ARG CB C 13 30.70 0.1 . 1 . . . . . . . . 5805 1 963 . 1 1 96 96 ARG N N 15 122.00 0.2 . 1 . . . . . . . . 5805 1 964 . 1 1 97 97 ALA H H 1 8.05 0.02 . 1 . . . . . . . . 5805 1 965 . 1 1 97 97 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 5805 1 966 . 1 1 97 97 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5805 1 967 . 1 1 97 97 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5805 1 968 . 1 1 97 97 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5805 1 969 . 1 1 97 97 ALA C C 13 177.00 0.1 . 1 . . . . . . . . 5805 1 970 . 1 1 97 97 ALA CA C 13 52.90 0.1 . 1 . . . . . . . . 5805 1 971 . 1 1 97 97 ALA CB C 13 19.20 0.1 . 1 . . . . . . . . 5805 1 972 . 1 1 97 97 ALA N N 15 123.80 0.2 . 1 . . . . . . . . 5805 1 973 . 1 1 98 98 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 5805 1 974 . 1 1 98 98 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5805 1 975 . 1 1 98 98 LYS C C 13 176.20 0.1 . 1 . . . . . . . . 5805 1 976 . 1 1 98 98 LYS CA C 13 56.60 0.1 . 1 . . . . . . . . 5805 1 977 . 1 1 98 98 LYS CB C 13 33.10 0.1 . 1 . . . . . . . . 5805 1 978 . 1 1 98 98 LYS N N 15 119.30 0.2 . 1 . . . . . . . . 5805 1 979 . 1 1 99 99 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 5805 1 980 . 1 1 99 99 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 5805 1 981 . 1 1 99 99 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 5805 1 982 . 1 1 99 99 GLY C C 13 172.90 0.1 . 1 . . . . . . . . 5805 1 983 . 1 1 99 99 GLY CA C 13 45.20 0.1 . 1 . . . . . . . . 5805 1 984 . 1 1 99 99 GLY N N 15 110.80 0.2 . 1 . . . . . . . . 5805 1 985 . 1 1 100 100 VAL H H 1 7.72 0.02 . 1 . . . . . . . . 5805 1 986 . 1 1 100 100 VAL HA H 1 4.07 0.02 . 1 . . . . . . . . 5805 1 987 . 1 1 100 100 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 5805 1 988 . 1 1 100 100 VAL HG11 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 989 . 1 1 100 100 VAL HG12 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 990 . 1 1 100 100 VAL HG13 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 991 . 1 1 100 100 VAL HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 992 . 1 1 100 100 VAL HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 993 . 1 1 100 100 VAL HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5805 1 994 . 1 1 100 100 VAL C C 13 174.80 0.1 . 1 . . . . . . . . 5805 1 995 . 1 1 100 100 VAL CA C 13 62.20 0.1 . 1 . . . . . . . . 5805 1 996 . 1 1 100 100 VAL CB C 13 32.90 0.1 . 1 . . . . . . . . 5805 1 997 . 1 1 100 100 VAL CG1 C 13 21.40 0.1 . 1 . . . . . . . . 5805 1 998 . 1 1 100 100 VAL CG2 C 13 21.40 0.1 . 1 . . . . . . . . 5805 1 999 . 1 1 100 100 VAL N N 15 118.90 0.2 . 1 . . . . . . . . 5805 1 1000 . 1 1 101 101 TRP H H 1 8.20 0.02 . 1 . . . . . . . . 5805 1 1001 . 1 1 101 101 TRP HA H 1 4.78 0.02 . 1 . . . . . . . . 5805 1 1002 . 1 1 101 101 TRP HB2 H 1 3.19 0.02 . 2 . . . . . . . . 5805 1 1003 . 1 1 101 101 TRP HB3 H 1 3.35 0.02 . 2 . . . . . . . . 5805 1 1004 . 1 1 101 101 TRP HD1 H 1 7.23 0.02 . 1 . . . . . . . . 5805 1 1005 . 1 1 101 101 TRP HE1 H 1 10.06 0.02 . 1 . . . . . . . . 5805 1 1006 . 1 1 101 101 TRP HE3 H 1 7.68 0.02 . 1 . . . . . . . . 5805 1 1007 . 1 1 101 101 TRP HZ2 H 1 7.47 0.02 . 1 . . . . . . . . 5805 1 1008 . 1 1 101 101 TRP HZ3 H 1 7.15 0.02 . 1 . . . . . . . . 5805 1 1009 . 1 1 101 101 TRP HH2 H 1 7.21 0.02 . 1 . . . . . . . . 5805 1 1010 . 1 1 101 101 TRP C C 13 174.20 0.1 . 1 . . . . . . . . 5805 1 1011 . 1 1 101 101 TRP CA C 13 56.90 0.1 . 1 . . . . . . . . 5805 1 1012 . 1 1 101 101 TRP CB C 13 30.00 0.1 . 1 . . . . . . . . 5805 1 1013 . 1 1 101 101 TRP N N 15 124.80 0.2 . 1 . . . . . . . . 5805 1 1014 . 1 1 102 102 ILE H H 1 7.51 0.02 . 1 . . . . . . . . 5805 1 1015 . 1 1 102 102 ILE HA H 1 4.22 0.02 . 1 . . . . . . . . 5805 1 1016 . 1 1 102 102 ILE HB H 1 1.80 0.02 . 1 . . . . . . . . 5805 1 1017 . 1 1 102 102 ILE HG12 H 1 1.39 0.02 . 1 . . . . . . . . 5805 1 1018 . 1 1 102 102 ILE HG13 H 1 1.39 0.02 . 1 . . . . . . . . 5805 1 1019 . 1 1 102 102 ILE HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5805 1 1020 . 1 1 102 102 ILE HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5805 1 1021 . 1 1 102 102 ILE HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5805 1 1022 . 1 1 102 102 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5805 1 1023 . 1 1 102 102 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5805 1 1024 . 1 1 102 102 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5805 1 1025 . 1 1 102 102 ILE C C 13 174.60 0.1 . 1 . . . . . . . . 5805 1 1026 . 1 1 102 102 ILE CA C 13 62.80 0.1 . 1 . . . . . . . . 5805 1 1027 . 1 1 102 102 ILE CB C 13 40.00 0.1 . 1 . . . . . . . . 5805 1 1028 . 1 1 102 102 ILE CG1 C 13 28.10 0.1 . 1 . . . . . . . . 5805 1 1029 . 1 1 102 102 ILE CG2 C 13 15.80 0.1 . 1 . . . . . . . . 5805 1 1030 . 1 1 102 102 ILE CD1 C 13 12.40 0.1 . 1 . . . . . . . . 5805 1 1031 . 1 1 102 102 ILE N N 15 126.10 0.2 . 1 . . . . . . . . 5805 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 36 5805 1 1 35 5805 1 1 34 5805 1 1 33 5805 1 1 32 5805 1 1 31 5805 1 1 30 5805 1 2 63 5805 1 2 62 5805 1 2 61 5805 1 2 60 5805 1 stop_ save_