data_6072 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6072 _Entry.Title ; Solution structure of human p53 binding domain of PIAS-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-12 _Entry.Accession_date 2004-01-14 _Entry.Last_release_date 2004-08-05 _Entry.Original_release_date 2004-08-05 _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 S. Okubo . . . 6072 2 F. Hara . . . 6072 3 Y. Tsuchida . . . 6072 4 S. Shimotakahara . . . 6072 5 S. Suzuki . . . 6072 6 H. Hatanaka . . . 6072 7 S. Yokoyama . . . 6072 8 H. Tanaka . . . 6072 9 H. Yasuda . . . 6072 10 H. Shindo . . . 6072 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6072 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 6072 '15N chemical shifts' 68 6072 '1H chemical shifts' 444 6072 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-08-05 2004-01-12 original author . 6072 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V66 'BMRB Entry Tracking System' 6072 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6072 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15133049 _Citation.Full_citation . _Citation.Title ; NMR structure of the N-terminal domain of SUMO ligase PIAS1 and its interaction with tumor suppressor p53 and A/T-rich DNA ologomers. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 30 _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 31455 _Citation.Page_last 31461 _Citation.Year 2004 _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 S. Okubo . . . 6072 1 2 F. Hara . . . 6072 1 3 Y. Tsuchida . . . 6072 1 4 S. Shimotakahara . . . 6072 1 5 S. Suzuki . . . 6072 1 6 H. Hatanaka . . . 6072 1 7 S. Yokoyama . . . 6072 1 8 H. Tanaka . . . 6072 1 9 H. Yasuda . . . 6072 1 10 H. Shindo . . . 6072 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'four helix bundle' 6072 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_PIAS-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode PIAS-1 _Assembly.Entry_ID 6072 _Assembly.ID 1 _Assembly.Name 'Protein inhibitor of activated STAT protein 1' _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 6072 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 'Protein inhibitor of activated STAT protein 1' 1 $PIAS . . . native . . . . . 6072 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1V66 . . . . . . 6072 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID PIAS-1 abbreviation 6072 1 'Protein inhibitor of activated STAT protein 1' system 6072 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PIAS _Entity.Sf_category entity _Entity.Sf_framecode PIAS _Entity.Entry_ID 6072 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PIAS-1 _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 ; MADSAELKQMVMSLRVSELQ VLLGYAGRNKHGRKHELLTK ALHLLKAGCSPAVQMKIKEL YRRRF ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1V66 . "Solution Structure Of Human P53 Binding Domain Of Pias-1" . . . . . 100.00 65 100.00 100.00 7.66e-38 . . . . 6072 1 2 no DBJ BAC35902 . "unnamed protein product [Mus musculus]" . . . . . 100.00 651 100.00 100.00 9.31e-36 . . . . 6072 1 3 no DBJ BAE00325 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 651 100.00 100.00 9.31e-36 . . . . 6072 1 4 no DBJ BAE32224 . "unnamed protein product [Mus musculus]" . . . . . 100.00 577 100.00 100.00 5.89e-36 . . . . 6072 1 5 no DBJ BAG37114 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 651 100.00 100.00 9.31e-36 . . . . 6072 1 6 no DBJ BAG52901 . "unnamed protein product [Homo sapiens]" . . . . . 90.77 653 98.31 100.00 4.16e-31 . . . . 6072 1 7 no EMBL CAF98368 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 90.77 614 98.31 100.00 3.94e-31 . . . . 6072 1 8 no GB AAB58488 . "Gu binding protein [Homo sapiens]" . . . . . 90.77 645 100.00 100.00 1.39e-31 . . . . 6072 1 9 no GB AAC36701 . "protein inhibitor of activated STAT protein PIAS1 [Mus musculus]" . . . . . 100.00 651 100.00 100.00 9.40e-36 . . . . 6072 1 10 no GB AAC36702 . "protein inhibitor of activated STAT protein PIAS1 [Homo sapiens]" . . . . . 100.00 650 100.00 100.00 1.13e-35 . . . . 6072 1 11 no GB AAD49722 . "protein inhibitor of activated STAT-1 [Homo sapiens]" . . . . . 100.00 651 100.00 100.00 9.31e-36 . . . . 6072 1 12 no GB AAH51417 . "Protein inhibitor of activated STAT 1 [Mus musculus]" . . . . . 100.00 651 100.00 100.00 9.31e-36 . . . . 6072 1 13 no PIR JC5517 . "Gu/RNA helicase II binding protein - human" . . . . . 90.77 645 100.00 100.00 1.39e-31 . . . . 6072 1 14 no REF NP_001026627 . "E3 SUMO-protein ligase PIAS1 [Gallus gallus]" . . . . . 100.00 564 100.00 100.00 9.10e-36 . . . . 6072 1 15 no REF NP_001068864 . "E3 SUMO-protein ligase PIAS1 [Bos taurus]" . . . . . 100.00 651 100.00 100.00 1.15e-35 . . . . 6072 1 16 no REF NP_001079161 . "protein inhibitor of activated STAT, 1 [Xenopus laevis]" . . . . . 100.00 649 98.46 98.46 3.63e-35 . . . . 6072 1 17 no REF NP_001100299 . "E3 SUMO-protein ligase PIAS1 [Rattus norvegicus]" . . . . . 100.00 651 100.00 100.00 9.40e-36 . . . . 6072 1 18 no REF NP_001253230 . "E3 SUMO-protein ligase PIAS1 [Macaca mulatta]" . . . . . 100.00 651 100.00 100.00 9.31e-36 . . . . 6072 1 19 no SP O75925 . "RecName: Full=E3 SUMO-protein ligase PIAS1; AltName: Full=DEAD/H box-binding protein 1; AltName: Full=Gu-binding protein; Short" . . . . . 100.00 651 100.00 100.00 9.31e-36 . . . . 6072 1 20 no SP O88907 . "RecName: Full=E3 SUMO-protein ligase PIAS1; AltName: Full=DEAD/H box-binding protein 1; AltName: Full=Protein inhibitor of acti" . . . . . 100.00 651 100.00 100.00 9.31e-36 . . . . 6072 1 21 no TPG DAA25728 . "TPA: protein inhibitor of activated STAT, 1 [Bos taurus]" . . . . . 100.00 651 100.00 100.00 1.15e-35 . . . . 6072 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PIAS abbreviation 6072 1 PIAS-1 common 6072 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 . 6072 1 2 . ALA . 6072 1 3 . ASP . 6072 1 4 . SER . 6072 1 5 . ALA . 6072 1 6 . GLU . 6072 1 7 . LEU . 6072 1 8 . LYS . 6072 1 9 . GLN . 6072 1 10 . MET . 6072 1 11 . VAL . 6072 1 12 . MET . 6072 1 13 . SER . 6072 1 14 . LEU . 6072 1 15 . ARG . 6072 1 16 . VAL . 6072 1 17 . SER . 6072 1 18 . GLU . 6072 1 19 . LEU . 6072 1 20 . GLN . 6072 1 21 . VAL . 6072 1 22 . LEU . 6072 1 23 . LEU . 6072 1 24 . GLY . 6072 1 25 . TYR . 6072 1 26 . ALA . 6072 1 27 . GLY . 6072 1 28 . ARG . 6072 1 29 . ASN . 6072 1 30 . LYS . 6072 1 31 . HIS . 6072 1 32 . GLY . 6072 1 33 . ARG . 6072 1 34 . LYS . 6072 1 35 . HIS . 6072 1 36 . GLU . 6072 1 37 . LEU . 6072 1 38 . LEU . 6072 1 39 . THR . 6072 1 40 . LYS . 6072 1 41 . ALA . 6072 1 42 . LEU . 6072 1 43 . HIS . 6072 1 44 . LEU . 6072 1 45 . LEU . 6072 1 46 . LYS . 6072 1 47 . ALA . 6072 1 48 . GLY . 6072 1 49 . CYS . 6072 1 50 . SER . 6072 1 51 . PRO . 6072 1 52 . ALA . 6072 1 53 . VAL . 6072 1 54 . GLN . 6072 1 55 . MET . 6072 1 56 . LYS . 6072 1 57 . ILE . 6072 1 58 . LYS . 6072 1 59 . GLU . 6072 1 60 . LEU . 6072 1 61 . TYR . 6072 1 62 . ARG . 6072 1 63 . ARG . 6072 1 64 . ARG . 6072 1 65 . PHE . 6072 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 6072 1 . ALA 2 2 6072 1 . ASP 3 3 6072 1 . SER 4 4 6072 1 . ALA 5 5 6072 1 . GLU 6 6 6072 1 . LEU 7 7 6072 1 . LYS 8 8 6072 1 . GLN 9 9 6072 1 . MET 10 10 6072 1 . VAL 11 11 6072 1 . MET 12 12 6072 1 . SER 13 13 6072 1 . LEU 14 14 6072 1 . ARG 15 15 6072 1 . VAL 16 16 6072 1 . SER 17 17 6072 1 . GLU 18 18 6072 1 . LEU 19 19 6072 1 . GLN 20 20 6072 1 . VAL 21 21 6072 1 . LEU 22 22 6072 1 . LEU 23 23 6072 1 . GLY 24 24 6072 1 . TYR 25 25 6072 1 . ALA 26 26 6072 1 . GLY 27 27 6072 1 . ARG 28 28 6072 1 . ASN 29 29 6072 1 . LYS 30 30 6072 1 . HIS 31 31 6072 1 . GLY 32 32 6072 1 . ARG 33 33 6072 1 . LYS 34 34 6072 1 . HIS 35 35 6072 1 . GLU 36 36 6072 1 . LEU 37 37 6072 1 . LEU 38 38 6072 1 . THR 39 39 6072 1 . LYS 40 40 6072 1 . ALA 41 41 6072 1 . LEU 42 42 6072 1 . HIS 43 43 6072 1 . LEU 44 44 6072 1 . LEU 45 45 6072 1 . LYS 46 46 6072 1 . ALA 47 47 6072 1 . GLY 48 48 6072 1 . CYS 49 49 6072 1 . SER 50 50 6072 1 . PRO 51 51 6072 1 . ALA 52 52 6072 1 . VAL 53 53 6072 1 . GLN 54 54 6072 1 . MET 55 55 6072 1 . LYS 56 56 6072 1 . ILE 57 57 6072 1 . LYS 58 58 6072 1 . GLU 59 59 6072 1 . LEU 60 60 6072 1 . TYR 61 61 6072 1 . ARG 62 62 6072 1 . ARG 63 63 6072 1 . ARG 64 64 6072 1 . PHE 65 65 6072 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 6072 _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 $PIAS . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6072 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 6072 _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 $PIAS . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6072 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6072 _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 PIAS-1 . . . 1 $PIAS . . . . . . . . . . 6072 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6072 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 6072 1 temperature 298 1 K 6072 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6072 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details 'Guentert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6072 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 6072 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 6072 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 6072 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 6072 _Experiment_list.ID 1 _Experiment_list.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 6072 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6072 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6072 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6072 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 1 1 MET H H 1 8.429 0.000 . 1 . . . . . . . . 6072 1 2 . 1 1 1 1 MET N N 15 122.400 0.000 . 1 . . . . . . . . 6072 1 3 . 1 1 1 1 MET CA C 13 55.720 0.000 . 1 . . . . . . . . 6072 1 4 . 1 1 1 1 MET HA H 1 4.434 0.000 . 1 . . . . . . . . 6072 1 5 . 1 1 1 1 MET C C 13 175.096 0.000 . 1 . . . . . . . . 6072 1 6 . 1 1 1 1 MET CB C 13 32.800 0.000 . 1 . . . . . . . . 6072 1 7 . 1 1 1 1 MET HB2 H 1 2.072 0.000 . 1 . . . . . . . . 6072 1 8 . 1 1 1 1 MET HB3 H 1 1.996 0.000 . 1 . . . . . . . . 6072 1 9 . 1 1 1 1 MET CG C 13 32.400 0.000 . 1 . . . . . . . . 6072 1 10 . 1 1 1 1 MET HG2 H 1 2.576 0.000 . 1 . . . . . . . . 6072 1 11 . 1 1 1 1 MET HG3 H 1 2.514 0.000 . 1 . . . . . . . . 6072 1 12 . 1 1 2 2 ALA H H 1 8.423 0.000 . 1 . . . . . . . . 6072 1 13 . 1 1 2 2 ALA N N 15 125.560 0.000 . 1 . . . . . . . . 6072 1 14 . 1 1 2 2 ALA CA C 13 53.070 0.000 . 1 . . . . . . . . 6072 1 15 . 1 1 2 2 ALA HA H 1 4.300 0.000 . 1 . . . . . . . . 6072 1 16 . 1 1 2 2 ALA C C 13 176.078 0.000 . 1 . . . . . . . . 6072 1 17 . 1 1 2 2 ALA CB C 13 19.140 0.000 . 1 . . . . . . . . 6072 1 18 . 1 1 2 2 ALA HB1 H 1 1.400 0.000 . 1 . . . . . . . . 6072 1 19 . 1 1 2 2 ALA HB2 H 1 1.400 0.000 . 1 . . . . . . . . 6072 1 20 . 1 1 2 2 ALA HB3 H 1 1.400 0.000 . 1 . . . . . . . . 6072 1 21 . 1 1 3 3 ASP H H 1 8.406 0.000 . 1 . . . . . . . . 6072 1 22 . 1 1 3 3 ASP N N 15 119.900 0.000 . 1 . . . . . . . . 6072 1 23 . 1 1 3 3 ASP CA C 13 54.625 0.000 . 1 . . . . . . . . 6072 1 24 . 1 1 3 3 ASP HA H 1 4.620 0.000 . 1 . . . . . . . . 6072 1 25 . 1 1 3 3 ASP C C 13 177.661 0.000 . 1 . . . . . . . . 6072 1 26 . 1 1 3 3 ASP CB C 13 41.100 0.000 . 1 . . . . . . . . 6072 1 27 . 1 1 3 3 ASP HB2 H 1 2.765 0.000 . 1 . . . . . . . . 6072 1 28 . 1 1 4 4 SER H H 1 8.284 0.000 . 1 . . . . . . . . 6072 1 29 . 1 1 4 4 SER N N 15 115.870 0.000 . 1 . . . . . . . . 6072 1 30 . 1 1 4 4 SER CA C 13 60.520 0.000 . 1 . . . . . . . . 6072 1 31 . 1 1 4 4 SER HA H 1 4.220 0.000 . 1 . . . . . . . . 6072 1 32 . 1 1 4 4 SER C C 13 176.966 0.000 . 1 . . . . . . . . 6072 1 33 . 1 1 4 4 SER CB C 13 63.190 0.000 . 1 . . . . . . . . 6072 1 34 . 1 1 4 4 SER HB2 H 1 3.972 0.000 . 1 . . . . . . . . 6072 1 35 . 1 1 4 4 SER HB3 H 1 3.932 0.000 . 1 . . . . . . . . 6072 1 36 . 1 1 5 5 ALA H H 1 8.220 0.000 . 1 . . . . . . . . 6072 1 37 . 1 1 5 5 ALA N N 15 125.575 0.000 . 1 . . . . . . . . 6072 1 38 . 1 1 5 5 ALA CA C 13 54.830 0.000 . 1 . . . . . . . . 6072 1 39 . 1 1 5 5 ALA HA H 1 4.158 0.000 . 1 . . . . . . . . 6072 1 40 . 1 1 5 5 ALA C C 13 175.746 0.000 . 1 . . . . . . . . 6072 1 41 . 1 1 5 5 ALA CB C 13 18.580 0.000 . 1 . . . . . . . . 6072 1 42 . 1 1 5 5 ALA HB1 H 1 1.454 0.000 . 1 . . . . . . . . 6072 1 43 . 1 1 5 5 ALA HB2 H 1 1.454 0.000 . 1 . . . . . . . . 6072 1 44 . 1 1 5 5 ALA HB3 H 1 1.454 0.000 . 1 . . . . . . . . 6072 1 45 . 1 1 6 6 GLU H H 1 8.209 0.000 . 1 . . . . . . . . 6072 1 46 . 1 1 6 6 GLU N N 15 120.050 0.000 . 1 . . . . . . . . 6072 1 47 . 1 1 6 6 GLU CA C 13 58.810 0.000 . 1 . . . . . . . . 6072 1 48 . 1 1 6 6 GLU HA H 1 4.066 0.000 . 1 . . . . . . . . 6072 1 49 . 1 1 6 6 GLU C C 13 179.748 0.000 . 1 . . . . . . . . 6072 1 50 . 1 1 6 6 GLU CB C 13 29.760 0.000 . 1 . . . . . . . . 6072 1 51 . 1 1 6 6 GLU HB2 H 1 2.058 0.000 . 1 . . . . . . . . 6072 1 52 . 1 1 6 6 GLU CG C 13 36.420 0.000 . 1 . . . . . . . . 6072 1 53 . 1 1 6 6 GLU HG2 H 1 2.294 0.000 . 1 . . . . . . . . 6072 1 54 . 1 1 6 6 GLU HG3 H 1 2.183 0.000 . 1 . . . . . . . . 6072 1 55 . 1 1 7 7 LEU H H 1 8.060 0.000 . 1 . . . . . . . . 6072 1 56 . 1 1 7 7 LEU N N 15 119.250 0.000 . 1 . . . . . . . . 6072 1 57 . 1 1 7 7 LEU CA C 13 57.940 0.000 . 1 . . . . . . . . 6072 1 58 . 1 1 7 7 LEU HA H 1 3.982 0.000 . 1 . . . . . . . . 6072 1 59 . 1 1 7 7 LEU C C 13 178.577 0.000 . 1 . . . . . . . . 6072 1 60 . 1 1 7 7 LEU CB C 13 42.100 0.000 . 1 . . . . . . . . 6072 1 61 . 1 1 7 7 LEU HB2 H 1 1.890 0.000 . 1 . . . . . . . . 6072 1 62 . 1 1 7 7 LEU HB3 H 1 1.402 0.000 . 1 . . . . . . . . 6072 1 63 . 1 1 7 7 LEU CG C 13 27.080 0.000 . 1 . . . . . . . . 6072 1 64 . 1 1 7 7 LEU CD1 C 13 23.570 0.000 . 1 . . . . . . . . 6072 1 65 . 1 1 7 7 LEU HD11 H 1 0.875 0.000 . 1 . . . . . . . . 6072 1 66 . 1 1 7 7 LEU HD12 H 1 0.875 0.000 . 1 . . . . . . . . 6072 1 67 . 1 1 7 7 LEU HD13 H 1 0.875 0.000 . 1 . . . . . . . . 6072 1 68 . 1 1 7 7 LEU CD2 C 13 26.198 0.000 . 1 . . . . . . . . 6072 1 69 . 1 1 7 7 LEU HD21 H 1 0.890 0.000 . 1 . . . . . . . . 6072 1 70 . 1 1 7 7 LEU HD22 H 1 0.890 0.000 . 1 . . . . . . . . 6072 1 71 . 1 1 7 7 LEU HD23 H 1 0.890 0.000 . 1 . . . . . . . . 6072 1 72 . 1 1 7 7 LEU HG H 1 1.798 0.000 . 1 . . . . . . . . 6072 1 73 . 1 1 8 8 LYS H H 1 8.041 0.000 . 1 . . . . . . . . 6072 1 74 . 1 1 8 8 LYS N N 15 118.710 0.000 . 1 . . . . . . . . 6072 1 75 . 1 1 8 8 LYS CA C 13 60.460 0.000 . 1 . . . . . . . . 6072 1 76 . 1 1 8 8 LYS HA H 1 3.614 0.000 . 1 . . . . . . . . 6072 1 77 . 1 1 8 8 LYS C C 13 178.770 0.000 . 1 . . . . . . . . 6072 1 78 . 1 1 8 8 LYS CB C 13 32.000 0.000 . 1 . . . . . . . . 6072 1 79 . 1 1 8 8 LYS HB2 H 1 1.845 0.000 . 1 . . . . . . . . 6072 1 80 . 1 1 8 8 LYS CG C 13 25.460 0.000 . 1 . . . . . . . . 6072 1 81 . 1 1 8 8 LYS HG2 H 1 1.362 0.000 . 1 . . . . . . . . 6072 1 82 . 1 1 8 8 LYS HG3 H 1 1.298 0.000 . 1 . . . . . . . . 6072 1 83 . 1 1 8 8 LYS CD C 13 29.730 0.000 . 1 . . . . . . . . 6072 1 84 . 1 1 8 8 LYS HD2 H 1 1.686 0.000 . 1 . . . . . . . . 6072 1 85 . 1 1 8 8 LYS CE C 13 42.070 0.000 . 1 . . . . . . . . 6072 1 86 . 1 1 8 8 LYS HE2 H 1 2.943 0.000 . 1 . . . . . . . . 6072 1 87 . 1 1 9 9 GLN H H 1 7.565 0.000 . 1 . . . . . . . . 6072 1 88 . 1 1 9 9 GLN N N 15 117.340 0.000 . 1 . . . . . . . . 6072 1 89 . 1 1 9 9 GLN CA C 13 58.800 0.000 . 1 . . . . . . . . 6072 1 90 . 1 1 9 9 GLN HA H 1 3.920 0.000 . 1 . . . . . . . . 6072 1 91 . 1 1 9 9 GLN C C 13 177.708 0.000 . 1 . . . . . . . . 6072 1 92 . 1 1 9 9 GLN CB C 13 27.940 0.000 . 1 . . . . . . . . 6072 1 93 . 1 1 9 9 GLN HB2 H 1 2.110 0.000 . 1 . . . . . . . . 6072 1 94 . 1 1 9 9 GLN CG C 13 33.680 0.000 . 1 . . . . . . . . 6072 1 95 . 1 1 9 9 GLN HG2 H 1 2.426 0.000 . 1 . . . . . . . . 6072 1 96 . 1 1 9 9 GLN HG3 H 1 2.360 0.000 . 1 . . . . . . . . 6072 1 97 . 1 1 9 9 GLN NE2 N 15 111.200 0.000 . 1 . . . . . . . . 6072 1 98 . 1 1 9 9 GLN HE21 H 1 7.368 0.000 . 1 . . . . . . . . 6072 1 99 . 1 1 9 9 GLN HE22 H 1 6.766 0.000 . 1 . . . . . . . . 6072 1 100 . 1 1 10 10 MET H H 1 7.804 0.000 . 1 . . . . . . . . 6072 1 101 . 1 1 10 10 MET N N 15 118.320 0.000 . 1 . . . . . . . . 6072 1 102 . 1 1 10 10 MET CA C 13 60.110 0.000 . 1 . . . . . . . . 6072 1 103 . 1 1 10 10 MET HA H 1 3.630 0.000 . 1 . . . . . . . . 6072 1 104 . 1 1 10 10 MET C C 13 179.080 0.000 . 1 . . . . . . . . 6072 1 105 . 1 1 10 10 MET CB C 13 32.870 0.000 . 1 . . . . . . . . 6072 1 106 . 1 1 10 10 MET HB2 H 1 2.049 0.000 . 1 . . . . . . . . 6072 1 107 . 1 1 10 10 MET HB3 H 1 1.254 0.000 . 1 . . . . . . . . 6072 1 108 . 1 1 10 10 MET CG C 13 32.360 0.000 . 1 . . . . . . . . 6072 1 109 . 1 1 10 10 MET HG2 H 1 2.365 0.000 . 1 . . . . . . . . 6072 1 110 . 1 1 10 10 MET HG3 H 1 0.516 0.000 . 1 . . . . . . . . 6072 1 111 . 1 1 10 10 MET CE C 13 18.200 0.000 . 1 . . . . . . . . 6072 1 112 . 1 1 10 10 MET HE1 H 1 1.830 0.000 . 1 . . . . . . . . 6072 1 113 . 1 1 10 10 MET HE2 H 1 1.830 0.000 . 1 . . . . . . . . 6072 1 114 . 1 1 10 10 MET HE3 H 1 1.830 0.000 . 1 . . . . . . . . 6072 1 115 . 1 1 11 11 VAL H H 1 8.147 0.000 . 1 . . . . . . . . 6072 1 116 . 1 1 11 11 VAL N N 15 119.050 0.000 . 1 . . . . . . . . 6072 1 117 . 1 1 11 11 VAL CA C 13 67.170 0.000 . 1 . . . . . . . . 6072 1 118 . 1 1 11 11 VAL HA H 1 3.428 0.000 . 1 . . . . . . . . 6072 1 119 . 1 1 11 11 VAL C C 13 174.989 0.000 . 1 . . . . . . . . 6072 1 120 . 1 1 11 11 VAL CB C 13 31.420 0.000 . 1 . . . . . . . . 6072 1 121 . 1 1 11 11 VAL HB H 1 2.108 0.000 . 1 . . . . . . . . 6072 1 122 . 1 1 11 11 VAL CG1 C 13 24.880 0.000 . 1 . . . . . . . . 6072 1 123 . 1 1 11 11 VAL HG11 H 1 0.996 0.000 . 1 . . . . . . . . 6072 1 124 . 1 1 11 11 VAL HG12 H 1 0.996 0.000 . 1 . . . . . . . . 6072 1 125 . 1 1 11 11 VAL HG13 H 1 0.996 0.000 . 1 . . . . . . . . 6072 1 126 . 1 1 11 11 VAL CG2 C 13 22.700 0.000 . 1 . . . . . . . . 6072 1 127 . 1 1 11 11 VAL HG21 H 1 0.766 0.000 . 1 . . . . . . . . 6072 1 128 . 1 1 11 11 VAL HG22 H 1 0.766 0.000 . 1 . . . . . . . . 6072 1 129 . 1 1 11 11 VAL HG23 H 1 0.766 0.000 . 1 . . . . . . . . 6072 1 130 . 1 1 12 12 MET H H 1 8.077 0.000 . 1 . . . . . . . . 6072 1 131 . 1 1 12 12 MET N N 15 114.660 0.000 . 1 . . . . . . . . 6072 1 132 . 1 1 12 12 MET CA C 13 57.430 0.000 . 1 . . . . . . . . 6072 1 133 . 1 1 12 12 MET HA H 1 4.213 0.000 . 1 . . . . . . . . 6072 1 134 . 1 1 12 12 MET C C 13 177.844 0.000 . 1 . . . . . . . . 6072 1 135 . 1 1 12 12 MET CB C 13 31.960 0.000 . 1 . . . . . . . . 6072 1 136 . 1 1 12 12 MET HB2 H 1 2.280 0.000 . 1 . . . . . . . . 6072 1 137 . 1 1 12 12 MET HB3 H 1 2.150 0.000 . 1 . . . . . . . . 6072 1 138 . 1 1 12 12 MET CG C 13 32.780 0.000 . 1 . . . . . . . . 6072 1 139 . 1 1 12 12 MET HG2 H 1 2.834 0.000 . 1 . . . . . . . . 6072 1 140 . 1 1 12 12 MET HG3 H 1 2.629 0.000 . 1 . . . . . . . . 6072 1 141 . 1 1 13 13 SER H H 1 7.587 0.000 . 1 . . . . . . . . 6072 1 142 . 1 1 13 13 SER N N 15 113.600 0.000 . 1 . . . . . . . . 6072 1 143 . 1 1 13 13 SER CA C 13 59.299 0.000 . 1 . . . . . . . . 6072 1 144 . 1 1 13 13 SER HA H 1 4.681 0.000 . 1 . . . . . . . . 6072 1 145 . 1 1 13 13 SER C C 13 176.913 0.000 . 1 . . . . . . . . 6072 1 146 . 1 1 13 13 SER CB C 13 64.880 0.000 . 1 . . . . . . . . 6072 1 147 . 1 1 13 13 SER HB2 H 1 4.243 0.000 . 1 . . . . . . . . 6072 1 148 . 1 1 13 13 SER HB3 H 1 4.198 0.000 . 1 . . . . . . . . 6072 1 149 . 1 1 14 14 LEU H H 1 7.446 0.000 . 1 . . . . . . . . 6072 1 150 . 1 1 14 14 LEU N N 15 121.270 0.000 . 1 . . . . . . . . 6072 1 151 . 1 1 14 14 LEU CA C 13 55.270 0.000 . 1 . . . . . . . . 6072 1 152 . 1 1 14 14 LEU HA H 1 4.392 0.000 . 1 . . . . . . . . 6072 1 153 . 1 1 14 14 LEU C C 13 174.422 0.000 . 1 . . . . . . . . 6072 1 154 . 1 1 14 14 LEU CB C 13 41.230 0.000 . 1 . . . . . . . . 6072 1 155 . 1 1 14 14 LEU HB2 H 1 1.983 0.000 . 1 . . . . . . . . 6072 1 156 . 1 1 14 14 LEU HB3 H 1 1.612 0.000 . 1 . . . . . . . . 6072 1 157 . 1 1 14 14 LEU CG C 13 25.760 0.000 . 1 . . . . . . . . 6072 1 158 . 1 1 14 14 LEU CD1 C 13 21.320 0.000 . 1 . . . . . . . . 6072 1 159 . 1 1 14 14 LEU HD11 H 1 0.800 0.000 . 1 . . . . . . . . 6072 1 160 . 1 1 14 14 LEU HD12 H 1 0.800 0.000 . 1 . . . . . . . . 6072 1 161 . 1 1 14 14 LEU HD13 H 1 0.800 0.000 . 1 . . . . . . . . 6072 1 162 . 1 1 14 14 LEU CD2 C 13 25.755 0.000 . 1 . . . . . . . . 6072 1 163 . 1 1 14 14 LEU HD21 H 1 0.845 0.000 . 1 . . . . . . . . 6072 1 164 . 1 1 14 14 LEU HD22 H 1 0.845 0.000 . 1 . . . . . . . . 6072 1 165 . 1 1 14 14 LEU HD23 H 1 0.845 0.000 . 1 . . . . . . . . 6072 1 166 . 1 1 14 14 LEU HG H 1 2.550 0.000 . 1 . . . . . . . . 6072 1 167 . 1 1 15 15 ARG H H 1 8.990 0.000 . 1 . . . . . . . . 6072 1 168 . 1 1 15 15 ARG N N 15 120.140 0.000 . 1 . . . . . . . . 6072 1 169 . 1 1 15 15 ARG CA C 13 55.689 0.000 . 1 . . . . . . . . 6072 1 170 . 1 1 15 15 ARG HA H 1 4.566 0.000 . 1 . . . . . . . . 6072 1 171 . 1 1 15 15 ARG C C 13 177.268 0.000 . 1 . . . . . . . . 6072 1 172 . 1 1 15 15 ARG CB C 13 31.500 0.000 . 1 . . . . . . . . 6072 1 173 . 1 1 15 15 ARG HB2 H 1 2.288 0.000 . 1 . . . . . . . . 6072 1 174 . 1 1 15 15 ARG HB3 H 1 1.812 0.000 . 1 . . . . . . . . 6072 1 175 . 1 1 15 15 ARG CG C 13 27.985 0.000 . 1 . . . . . . . . 6072 1 176 . 1 1 15 15 ARG HG2 H 1 1.881 0.000 . 1 . . . . . . . . 6072 1 177 . 1 1 15 15 ARG CD C 13 43.380 0.000 . 1 . . . . . . . . 6072 1 178 . 1 1 15 15 ARG HD2 H 1 3.302 0.000 . 1 . . . . . . . . 6072 1 179 . 1 1 15 15 ARG HD3 H 1 3.230 0.000 . 1 . . . . . . . . 6072 1 180 . 1 1 16 16 VAL H H 1 8.888 0.000 . 1 . . . . . . . . 6072 1 181 . 1 1 16 16 VAL N N 15 121.710 0.000 . 1 . . . . . . . . 6072 1 182 . 1 1 16 16 VAL CA C 13 68.270 0.000 . 1 . . . . . . . . 6072 1 183 . 1 1 16 16 VAL HA H 1 3.560 0.000 . 1 . . . . . . . . 6072 1 184 . 1 1 16 16 VAL C C 13 177.942 0.000 . 1 . . . . . . . . 6072 1 185 . 1 1 16 16 VAL CB C 13 31.620 0.000 . 1 . . . . . . . . 6072 1 186 . 1 1 16 16 VAL HB H 1 2.162 0.000 . 1 . . . . . . . . 6072 1 187 . 1 1 16 16 VAL CG1 C 13 23.630 0.000 . 1 . . . . . . . . 6072 1 188 . 1 1 16 16 VAL HG11 H 1 1.152 0.000 . 1 . . . . . . . . 6072 1 189 . 1 1 16 16 VAL HG12 H 1 1.152 0.000 . 1 . . . . . . . . 6072 1 190 . 1 1 16 16 VAL HG13 H 1 1.152 0.000 . 1 . . . . . . . . 6072 1 191 . 1 1 16 16 VAL CG2 C 13 20.550 0.000 . 1 . . . . . . . . 6072 1 192 . 1 1 16 16 VAL HG21 H 1 0.942 0.000 . 1 . . . . . . . . 6072 1 193 . 1 1 16 16 VAL HG22 H 1 0.942 0.000 . 1 . . . . . . . . 6072 1 194 . 1 1 16 16 VAL HG23 H 1 0.942 0.000 . 1 . . . . . . . . 6072 1 195 . 1 1 17 17 SER H H 1 8.466 0.000 . 1 . . . . . . . . 6072 1 196 . 1 1 17 17 SER N N 15 112.590 0.000 . 1 . . . . . . . . 6072 1 197 . 1 1 17 17 SER CA C 13 61.050 0.000 . 1 . . . . . . . . 6072 1 198 . 1 1 17 17 SER HA H 1 4.287 0.000 . 1 . . . . . . . . 6072 1 199 . 1 1 17 17 SER C C 13 177.190 0.000 . 1 . . . . . . . . 6072 1 200 . 1 1 17 17 SER CB C 13 61.860 0.000 . 1 . . . . . . . . 6072 1 201 . 1 1 17 17 SER HB2 H 1 3.932 0.000 . 1 . . . . . . . . 6072 1 202 . 1 1 18 18 GLU H H 1 6.853 0.000 . 1 . . . . . . . . 6072 1 203 . 1 1 18 18 GLU N N 15 121.060 0.000 . 1 . . . . . . . . 6072 1 204 . 1 1 18 18 GLU CA C 13 59.280 0.000 . 1 . . . . . . . . 6072 1 205 . 1 1 18 18 GLU HA H 1 4.130 0.000 . 1 . . . . . . . . 6072 1 206 . 1 1 18 18 GLU C C 13 177.269 0.000 . 1 . . . . . . . . 6072 1 207 . 1 1 18 18 GLU CB C 13 30.930 0.000 . 1 . . . . . . . . 6072 1 208 . 1 1 18 18 GLU HB2 H 1 2.622 0.000 . 1 . . . . . . . . 6072 1 209 . 1 1 18 18 GLU HB3 H 1 1.980 0.000 . 1 . . . . . . . . 6072 1 210 . 1 1 18 18 GLU CG C 13 37.280 0.000 . 1 . . . . . . . . 6072 1 211 . 1 1 18 18 GLU HG2 H 1 2.470 0.000 . 1 . . . . . . . . 6072 1 212 . 1 1 18 18 GLU HG3 H 1 2.275 0.000 . 1 . . . . . . . . 6072 1 213 . 1 1 19 19 LEU H H 1 8.571 0.000 . 1 . . . . . . . . 6072 1 214 . 1 1 19 19 LEU N N 15 120.630 0.000 . 1 . . . . . . . . 6072 1 215 . 1 1 19 19 LEU CA C 13 58.330 0.000 . 1 . . . . . . . . 6072 1 216 . 1 1 19 19 LEU HA H 1 3.910 0.000 . 1 . . . . . . . . 6072 1 217 . 1 1 19 19 LEU C C 13 178.262 0.000 . 1 . . . . . . . . 6072 1 218 . 1 1 19 19 LEU CB C 13 42.950 0.000 . 1 . . . . . . . . 6072 1 219 . 1 1 19 19 LEU HB2 H 1 2.133 0.000 . 1 . . . . . . . . 6072 1 220 . 1 1 19 19 LEU HB3 H 1 1.180 0.000 . 1 . . . . . . . . 6072 1 221 . 1 1 19 19 LEU CG C 13 26.840 0.000 . 1 . . . . . . . . 6072 1 222 . 1 1 19 19 LEU CD1 C 13 23.662 0.000 . 1 . . . . . . . . 6072 1 223 . 1 1 19 19 LEU HD11 H 1 0.816 0.000 . 1 . . . . . . . . 6072 1 224 . 1 1 19 19 LEU HD12 H 1 0.816 0.000 . 1 . . . . . . . . 6072 1 225 . 1 1 19 19 LEU HD13 H 1 0.816 0.000 . 1 . . . . . . . . 6072 1 226 . 1 1 19 19 LEU CD2 C 13 25.800 0.000 . 1 . . . . . . . . 6072 1 227 . 1 1 19 19 LEU HD21 H 1 0.802 0.000 . 1 . . . . . . . . 6072 1 228 . 1 1 19 19 LEU HD22 H 1 0.802 0.000 . 1 . . . . . . . . 6072 1 229 . 1 1 19 19 LEU HD23 H 1 0.802 0.000 . 1 . . . . . . . . 6072 1 230 . 1 1 19 19 LEU HG H 1 1.660 0.000 . 1 . . . . . . . . 6072 1 231 . 1 1 20 20 GLN H H 1 8.317 0.000 . 1 . . . . . . . . 6072 1 232 . 1 1 20 20 GLN N N 15 116.200 0.000 . 1 . . . . . . . . 6072 1 233 . 1 1 20 20 GLN CA C 13 60.140 0.000 . 1 . . . . . . . . 6072 1 234 . 1 1 20 20 GLN HA H 1 3.875 0.000 . 1 . . . . . . . . 6072 1 235 . 1 1 20 20 GLN C C 13 179.065 0.000 . 1 . . . . . . . . 6072 1 236 . 1 1 20 20 GLN CB C 13 28.450 0.000 . 1 . . . . . . . . 6072 1 237 . 1 1 20 20 GLN HB2 H 1 2.460 0.000 . 1 . . . . . . . . 6072 1 238 . 1 1 20 20 GLN HB3 H 1 1.910 0.000 . 1 . . . . . . . . 6072 1 239 . 1 1 20 20 GLN CG C 13 35.030 0.000 . 1 . . . . . . . . 6072 1 240 . 1 1 20 20 GLN HG2 H 1 2.694 0.000 . 1 . . . . . . . . 6072 1 241 . 1 1 20 20 GLN HG3 H 1 2.445 0.000 . 1 . . . . . . . . 6072 1 242 . 1 1 20 20 GLN NE2 N 15 111.140 0.000 . 1 . . . . . . . . 6072 1 243 . 1 1 20 20 GLN HE21 H 1 7.574 0.000 . 1 . . . . . . . . 6072 1 244 . 1 1 20 20 GLN HE22 H 1 6.807 0.000 . 1 . . . . . . . . 6072 1 245 . 1 1 21 21 VAL H H 1 7.470 0.000 . 1 . . . . . . . . 6072 1 246 . 1 1 21 21 VAL N N 15 119.420 0.000 . 1 . . . . . . . . 6072 1 247 . 1 1 21 21 VAL CA C 13 66.305 0.000 . 1 . . . . . . . . 6072 1 248 . 1 1 21 21 VAL HA H 1 3.707 0.000 . 1 . . . . . . . . 6072 1 249 . 1 1 21 21 VAL C C 13 178.677 0.000 . 1 . . . . . . . . 6072 1 250 . 1 1 21 21 VAL CB C 13 31.510 0.000 . 1 . . . . . . . . 6072 1 251 . 1 1 21 21 VAL HB H 1 2.257 0.000 . 1 . . . . . . . . 6072 1 252 . 1 1 21 21 VAL CG1 C 13 22.670 0.000 . 1 . . . . . . . . 6072 1 253 . 1 1 21 21 VAL HG11 H 1 1.190 0.000 . 1 . . . . . . . . 6072 1 254 . 1 1 21 21 VAL HG12 H 1 1.190 0.000 . 1 . . . . . . . . 6072 1 255 . 1 1 21 21 VAL HG13 H 1 1.190 0.000 . 1 . . . . . . . . 6072 1 256 . 1 1 21 21 VAL CG2 C 13 21.870 0.000 . 1 . . . . . . . . 6072 1 257 . 1 1 21 21 VAL HG21 H 1 0.981 0.000 . 1 . . . . . . . . 6072 1 258 . 1 1 21 21 VAL HG22 H 1 0.981 0.000 . 1 . . . . . . . . 6072 1 259 . 1 1 21 21 VAL HG23 H 1 0.981 0.000 . 1 . . . . . . . . 6072 1 260 . 1 1 22 22 LEU H H 1 8.302 0.000 . 1 . . . . . . . . 6072 1 261 . 1 1 22 22 LEU N N 15 121.260 0.000 . 1 . . . . . . . . 6072 1 262 . 1 1 22 22 LEU CA C 13 58.330 0.000 . 1 . . . . . . . . 6072 1 263 . 1 1 22 22 LEU HA H 1 3.840 0.000 . 1 . . . . . . . . 6072 1 264 . 1 1 22 22 LEU C C 13 179.020 0.000 . 1 . . . . . . . . 6072 1 265 . 1 1 22 22 LEU CB C 13 41.970 0.000 . 1 . . . . . . . . 6072 1 266 . 1 1 22 22 LEU HB2 H 1 2.067 0.000 . 1 . . . . . . . . 6072 1 267 . 1 1 22 22 LEU HB3 H 1 1.405 0.000 . 1 . . . . . . . . 6072 1 268 . 1 1 22 22 LEU CG C 13 27.485 0.000 . 1 . . . . . . . . 6072 1 269 . 1 1 22 22 LEU CD1 C 13 23.590 0.000 . 1 . . . . . . . . 6072 1 270 . 1 1 22 22 LEU HD11 H 1 0.879 0.000 . 1 . . . . . . . . 6072 1 271 . 1 1 22 22 LEU HD12 H 1 0.879 0.000 . 1 . . . . . . . . 6072 1 272 . 1 1 22 22 LEU HD13 H 1 0.879 0.000 . 1 . . . . . . . . 6072 1 273 . 1 1 22 22 LEU CD2 C 13 26.200 0.000 . 1 . . . . . . . . 6072 1 274 . 1 1 22 22 LEU HD21 H 1 0.812 0.000 . 1 . . . . . . . . 6072 1 275 . 1 1 22 22 LEU HD22 H 1 0.812 0.000 . 1 . . . . . . . . 6072 1 276 . 1 1 22 22 LEU HD23 H 1 0.812 0.000 . 1 . . . . . . . . 6072 1 277 . 1 1 22 22 LEU HG H 1 1.438 0.000 . 1 . . . . . . . . 6072 1 278 . 1 1 23 23 LEU H H 1 8.308 0.000 . 1 . . . . . . . . 6072 1 279 . 1 1 23 23 LEU N N 15 116.520 0.000 . 1 . . . . . . . . 6072 1 280 . 1 1 23 23 LEU CA C 13 57.500 0.000 . 1 . . . . . . . . 6072 1 281 . 1 1 23 23 LEU HA H 1 3.890 0.000 . 1 . . . . . . . . 6072 1 282 . 1 1 23 23 LEU C C 13 177.325 0.000 . 1 . . . . . . . . 6072 1 283 . 1 1 23 23 LEU CB C 13 41.180 0.000 . 1 . . . . . . . . 6072 1 284 . 1 1 23 23 LEU HB2 H 1 1.692 0.000 . 1 . . . . . . . . 6072 1 285 . 1 1 23 23 LEU HB3 H 1 1.216 0.000 . 1 . . . . . . . . 6072 1 286 . 1 1 23 23 LEU CG C 13 27.940 0.000 . 1 . . . . . . . . 6072 1 287 . 1 1 23 23 LEU CD1 C 13 27.110 0.000 . 1 . . . . . . . . 6072 1 288 . 1 1 23 23 LEU HD11 H 1 1.020 0.000 . 1 . . . . . . . . 6072 1 289 . 1 1 23 23 LEU HD12 H 1 1.020 0.000 . 1 . . . . . . . . 6072 1 290 . 1 1 23 23 LEU HD13 H 1 1.020 0.000 . 1 . . . . . . . . 6072 1 291 . 1 1 23 23 LEU CD2 C 13 22.250 0.000 . 1 . . . . . . . . 6072 1 292 . 1 1 23 23 LEU HD21 H 1 0.724 0.000 . 1 . . . . . . . . 6072 1 293 . 1 1 23 23 LEU HD22 H 1 0.724 0.000 . 1 . . . . . . . . 6072 1 294 . 1 1 23 23 LEU HD23 H 1 0.724 0.000 . 1 . . . . . . . . 6072 1 295 . 1 1 23 23 LEU HG H 1 1.776 0.000 . 1 . . . . . . . . 6072 1 296 . 1 1 24 24 GLY H H 1 8.298 0.000 . 1 . . . . . . . . 6072 1 297 . 1 1 24 24 GLY N N 15 106.100 0.000 . 1 . . . . . . . . 6072 1 298 . 1 1 24 24 GLY CA C 13 46.839 0.000 . 1 . . . . . . . . 6072 1 299 . 1 1 24 24 GLY C C 13 178.896 0.000 . 1 . . . . . . . . 6072 1 300 . 1 1 24 24 GLY HA2 H 1 3.968 0.000 . 1 . . . . . . . . 6072 1 301 . 1 1 25 25 TYR H H 1 8.513 0.000 . 1 . . . . . . . . 6072 1 302 . 1 1 25 25 TYR N N 15 124.100 0.000 . 1 . . . . . . . . 6072 1 303 . 1 1 25 25 TYR CA C 13 60.500 0.000 . 1 . . . . . . . . 6072 1 304 . 1 1 25 25 TYR HA H 1 4.296 0.000 . 1 . . . . . . . . 6072 1 305 . 1 1 25 25 TYR C C 13 176.983 0.000 . 1 . . . . . . . . 6072 1 306 . 1 1 25 25 TYR CB C 13 38.600 0.000 . 1 . . . . . . . . 6072 1 307 . 1 1 25 25 TYR HB2 H 1 3.190 0.000 . 1 . . . . . . . . 6072 1 308 . 1 1 25 25 TYR CD1 C 13 19.589 0.000 . 1 . . . . . . . . 6072 1 309 . 1 1 25 25 TYR HD1 H 1 7.018 0.000 . 2 . . . . . . . . 6072 1 310 . 1 1 25 25 TYR CD2 C 13 19.589 0.000 . 1 . . . . . . . . 6072 1 311 . 1 1 25 25 TYR CE1 C 13 62.300 0.000 . 1 . . . . . . . . 6072 1 312 . 1 1 25 25 TYR HE1 H 1 6.725 0.000 . 2 . . . . . . . . 6072 1 313 . 1 1 25 25 TYR CE2 C 13 62.300 0.000 . 1 . . . . . . . . 6072 1 314 . 1 1 26 26 ALA H H 1 8.044 0.000 . 1 . . . . . . . . 6072 1 315 . 1 1 26 26 ALA N N 15 119.410 0.000 . 1 . . . . . . . . 6072 1 316 . 1 1 26 26 ALA CA C 13 51.750 0.000 . 1 . . . . . . . . 6072 1 317 . 1 1 26 26 ALA HA H 1 4.225 0.000 . 1 . . . . . . . . 6072 1 318 . 1 1 26 26 ALA C C 13 176.612 0.000 . 1 . . . . . . . . 6072 1 319 . 1 1 26 26 ALA CB C 13 20.050 0.000 . 1 . . . . . . . . 6072 1 320 . 1 1 26 26 ALA HB1 H 1 1.518 0.000 . 1 . . . . . . . . 6072 1 321 . 1 1 26 26 ALA HB2 H 1 1.518 0.000 . 1 . . . . . . . . 6072 1 322 . 1 1 26 26 ALA HB3 H 1 1.518 0.000 . 1 . . . . . . . . 6072 1 323 . 1 1 27 27 GLY H H 1 7.875 0.000 . 1 . . . . . . . . 6072 1 324 . 1 1 27 27 GLY N N 15 107.880 0.000 . 1 . . . . . . . . 6072 1 325 . 1 1 27 27 GLY CA C 13 46.030 0.000 . 1 . . . . . . . . 6072 1 326 . 1 1 27 27 GLY HA2 H 1 3.882 0.000 . 1 . . . . . . . . 6072 1 327 . 1 1 27 27 GLY C C 13 177.028 0.000 . 1 . . . . . . . . 6072 1 328 . 1 1 27 27 GLY HA3 H 1 4.042 0.000 . 1 . . . . . . . . 6072 1 329 . 1 1 28 28 ARG H H 1 8.371 0.000 . 1 . . . . . . . . 6072 1 330 . 1 1 28 28 ARG N N 15 119.000 0.000 . 1 . . . . . . . . 6072 1 331 . 1 1 28 28 ARG CA C 13 53.699 0.000 . 1 . . . . . . . . 6072 1 332 . 1 1 28 28 ARG HA H 1 4.592 0.000 . 1 . . . . . . . . 6072 1 333 . 1 1 28 28 ARG C C 13 174.765 0.000 . 1 . . . . . . . . 6072 1 334 . 1 1 28 28 ARG CB C 13 31.930 0.000 . 1 . . . . . . . . 6072 1 335 . 1 1 28 28 ARG HB2 H 1 2.028 0.000 . 1 . . . . . . . . 6072 1 336 . 1 1 28 28 ARG HB3 H 1 1.668 0.000 . 1 . . . . . . . . 6072 1 337 . 1 1 28 28 ARG CG C 13 27.120 0.000 . 1 . . . . . . . . 6072 1 338 . 1 1 28 28 ARG HG2 H 1 1.685 0.000 . 1 . . . . . . . . 6072 1 339 . 1 1 28 28 ARG HG3 H 1 1.578 0.000 . 1 . . . . . . . . 6072 1 340 . 1 1 28 28 ARG CD C 13 42.530 0.000 . 1 . . . . . . . . 6072 1 341 . 1 1 28 28 ARG HD2 H 1 3.185 0.000 . 1 . . . . . . . . 6072 1 342 . 1 1 29 29 ASN H H 1 8.396 0.000 . 1 . . . . . . . . 6072 1 343 . 1 1 29 29 ASN N N 15 119.560 0.000 . 1 . . . . . . . . 6072 1 344 . 1 1 29 29 ASN CA C 13 54.477 0.000 . 1 . . . . . . . . 6072 1 345 . 1 1 29 29 ASN HA H 1 4.515 0.000 . 1 . . . . . . . . 6072 1 346 . 1 1 29 29 ASN C C 13 175.179 0.000 . 1 . . . . . . . . 6072 1 347 . 1 1 29 29 ASN CB C 13 38.980 0.000 . 1 . . . . . . . . 6072 1 348 . 1 1 29 29 ASN HB2 H 1 2.815 0.000 . 1 . . . . . . . . 6072 1 349 . 1 1 29 29 ASN HB3 H 1 2.763 0.000 . 1 . . . . . . . . 6072 1 350 . 1 1 29 29 ASN ND2 N 15 113.830 0.000 . 1 . . . . . . . . 6072 1 351 . 1 1 29 29 ASN HD21 H 1 7.680 0.000 . 1 . . . . . . . . 6072 1 352 . 1 1 29 29 ASN HD22 H 1 7.012 0.000 . 1 . . . . . . . . 6072 1 353 . 1 1 30 30 LYS H H 1 8.286 0.000 . 1 . . . . . . . . 6072 1 354 . 1 1 30 30 LYS N N 15 123.280 0.000 . 1 . . . . . . . . 6072 1 355 . 1 1 30 30 LYS CA C 13 55.680 0.000 . 1 . . . . . . . . 6072 1 356 . 1 1 30 30 LYS HA H 1 4.308 0.000 . 1 . . . . . . . . 6072 1 357 . 1 1 30 30 LYS C C 13 176.233 0.000 . 1 . . . . . . . . 6072 1 358 . 1 1 30 30 LYS CB C 13 33.260 0.000 . 1 . . . . . . . . 6072 1 359 . 1 1 30 30 LYS HB2 H 1 1.887 0.000 . 1 . . . . . . . . 6072 1 360 . 1 1 30 30 LYS HB3 H 1 1.590 0.000 . 1 . . . . . . . . 6072 1 361 . 1 1 30 30 LYS CG C 13 23.550 0.000 . 1 . . . . . . . . 6072 1 362 . 1 1 30 30 LYS HG2 H 1 1.360 0.000 . 1 . . . . . . . . 6072 1 363 . 1 1 30 30 LYS HG3 H 1 1.144 0.000 . 1 . . . . . . . . 6072 1 364 . 1 1 30 30 LYS CD C 13 30.100 0.000 . 1 . . . . . . . . 6072 1 365 . 1 1 30 30 LYS HD2 H 1 1.572 0.000 . 1 . . . . . . . . 6072 1 366 . 1 1 30 30 LYS CE C 13 42.070 0.000 . 1 . . . . . . . . 6072 1 367 . 1 1 30 30 LYS HE2 H 1 2.925 0.000 . 1 . . . . . . . . 6072 1 368 . 1 1 31 31 HIS H H 1 8.166 0.000 . 1 . . . . . . . . 6072 1 369 . 1 1 31 31 HIS N N 15 118.905 0.000 . 1 . . . . . . . . 6072 1 370 . 1 1 31 31 HIS CA C 13 56.521 0.000 . 1 . . . . . . . . 6072 1 371 . 1 1 31 31 HIS HA H 1 4.642 0.000 . 1 . . . . . . . . 6072 1 372 . 1 1 31 31 HIS C C 13 179.028 0.000 . 1 . . . . . . . . 6072 1 373 . 1 1 31 31 HIS CB C 13 30.254 0.000 . 1 . . . . . . . . 6072 1 374 . 1 1 31 31 HIS HB2 H 1 3.176 0.000 . 1 . . . . . . . . 6072 1 375 . 1 1 31 31 HIS HB3 H 1 3.161 0.000 . 1 . . . . . . . . 6072 1 376 . 1 1 31 31 HIS CD2 C 13 63.649 0.000 . 1 . . . . . . . . 6072 1 377 . 1 1 31 31 HIS HD2 H 1 7.154 0.000 . 1 . . . . . . . . 6072 1 378 . 1 1 32 32 GLY H H 1 8.260 0.000 . 1 . . . . . . . . 6072 1 379 . 1 1 32 32 GLY N N 15 110.410 0.000 . 1 . . . . . . . . 6072 1 380 . 1 1 32 32 GLY CA C 13 44.330 0.000 . 1 . . . . . . . . 6072 1 381 . 1 1 32 32 GLY HA2 H 1 3.810 0.000 . 1 . . . . . . . . 6072 1 382 . 1 1 32 32 GLY C C 13 175.251 0.000 . 1 . . . . . . . . 6072 1 383 . 1 1 32 32 GLY HA3 H 1 4.252 0.000 . 1 . . . . . . . . 6072 1 384 . 1 1 33 33 ARG H H 1 8.487 0.000 . 1 . . . . . . . . 6072 1 385 . 1 1 33 33 ARG N N 15 118.150 0.000 . 1 . . . . . . . . 6072 1 386 . 1 1 33 33 ARG CA C 13 55.660 0.000 . 1 . . . . . . . . 6072 1 387 . 1 1 33 33 ARG HA H 1 4.454 0.000 . 1 . . . . . . . . 6072 1 388 . 1 1 33 33 ARG C C 13 173.606 0.000 . 1 . . . . . . . . 6072 1 389 . 1 1 33 33 ARG CB C 13 31.140 0.000 . 1 . . . . . . . . 6072 1 390 . 1 1 33 33 ARG HB2 H 1 2.205 0.000 . 1 . . . . . . . . 6072 1 391 . 1 1 33 33 ARG HB3 H 1 1.778 0.000 . 1 . . . . . . . . 6072 1 392 . 1 1 33 33 ARG CG C 13 27.960 0.000 . 1 . . . . . . . . 6072 1 393 . 1 1 33 33 ARG HG2 H 1 1.835 0.000 . 1 . . . . . . . . 6072 1 394 . 1 1 33 33 ARG CD C 13 43.390 0.000 . 1 . . . . . . . . 6072 1 395 . 1 1 33 33 ARG HD2 H 1 3.329 0.000 . 1 . . . . . . . . 6072 1 396 . 1 1 34 34 LYS H H 1 8.966 0.000 . 1 . . . . . . . . 6072 1 397 . 1 1 34 34 LYS N N 15 121.760 0.000 . 1 . . . . . . . . 6072 1 398 . 1 1 34 34 LYS CA C 13 61.940 0.000 . 1 . . . . . . . . 6072 1 399 . 1 1 34 34 LYS HA H 1 3.699 0.000 . 1 . . . . . . . . 6072 1 400 . 1 1 34 34 LYS C C 13 177.414 0.000 . 1 . . . . . . . . 6072 1 401 . 1 1 34 34 LYS CB C 13 31.980 0.000 . 1 . . . . . . . . 6072 1 402 . 1 1 34 34 LYS HB2 H 1 1.987 0.000 . 1 . . . . . . . . 6072 1 403 . 1 1 34 34 LYS HB3 H 1 1.945 0.000 . 1 . . . . . . . . 6072 1 404 . 1 1 34 34 LYS CG C 13 25.380 0.000 . 1 . . . . . . . . 6072 1 405 . 1 1 34 34 LYS HG2 H 1 1.453 0.000 . 1 . . . . . . . . 6072 1 406 . 1 1 34 34 LYS HG3 H 1 1.208 0.000 . 1 . . . . . . . . 6072 1 407 . 1 1 34 34 LYS CD C 13 29.300 0.000 . 1 . . . . . . . . 6072 1 408 . 1 1 34 34 LYS HD2 H 1 1.802 0.000 . 1 . . . . . . . . 6072 1 409 . 1 1 34 34 LYS HD3 H 1 1.756 0.000 . 1 . . . . . . . . 6072 1 410 . 1 1 34 34 LYS CE C 13 42.500 0.000 . 1 . . . . . . . . 6072 1 411 . 1 1 34 34 LYS HE2 H 1 3.033 0.000 . 1 . . . . . . . . 6072 1 412 . 1 1 34 34 LYS HE3 H 1 2.983 0.000 . 1 . . . . . . . . 6072 1 413 . 1 1 35 35 HIS H H 1 8.790 0.000 . 1 . . . . . . . . 6072 1 414 . 1 1 35 35 HIS N N 15 114.520 0.000 . 1 . . . . . . . . 6072 1 415 . 1 1 35 35 HIS CA C 13 60.042 0.000 . 1 . . . . . . . . 6072 1 416 . 1 1 35 35 HIS HA H 1 4.322 0.000 . 1 . . . . . . . . 6072 1 417 . 1 1 35 35 HIS C C 13 177.334 0.000 . 1 . . . . . . . . 6072 1 418 . 1 1 35 35 HIS CB C 13 29.300 0.000 . 1 . . . . . . . . 6072 1 419 . 1 1 35 35 HIS HB2 H 1 3.295 0.000 . 1 . . . . . . . . 6072 1 420 . 1 1 35 35 HIS HB3 H 1 3.153 0.000 . 1 . . . . . . . . 6072 1 421 . 1 1 35 35 HIS CD2 C 13 63.230 0.000 . 1 . . . . . . . . 6072 1 422 . 1 1 35 35 HIS HD2 H 1 7.192 0.000 . 1 . . . . . . . . 6072 1 423 . 1 1 36 36 GLU H H 1 7.229 0.000 . 1 . . . . . . . . 6072 1 424 . 1 1 36 36 GLU N N 15 120.820 0.000 . 1 . . . . . . . . 6072 1 425 . 1 1 36 36 GLU CA C 13 58.820 0.000 . 1 . . . . . . . . 6072 1 426 . 1 1 36 36 GLU HA H 1 4.066 0.000 . 1 . . . . . . . . 6072 1 427 . 1 1 36 36 GLU C C 13 177.789 0.000 . 1 . . . . . . . . 6072 1 428 . 1 1 36 36 GLU CB C 13 29.790 0.000 . 1 . . . . . . . . 6072 1 429 . 1 1 36 36 GLU HB2 H 1 2.242 0.000 . 1 . . . . . . . . 6072 1 430 . 1 1 36 36 GLU HB3 H 1 2.056 0.000 . 1 . . . . . . . . 6072 1 431 . 1 1 36 36 GLU CG C 13 36.800 0.000 . 1 . . . . . . . . 6072 1 432 . 1 1 36 36 GLU HG2 H 1 2.249 0.000 . 1 . . . . . . . . 6072 1 433 . 1 1 36 36 GLU HG3 H 1 2.045 0.000 . 1 . . . . . . . . 6072 1 434 . 1 1 37 37 LEU H H 1 8.145 0.000 . 1 . . . . . . . . 6072 1 435 . 1 1 37 37 LEU N N 15 119.340 0.000 . 1 . . . . . . . . 6072 1 436 . 1 1 37 37 LEU CA C 13 57.600 0.000 . 1 . . . . . . . . 6072 1 437 . 1 1 37 37 LEU HA H 1 3.850 0.000 . 1 . . . . . . . . 6072 1 438 . 1 1 37 37 LEU C C 13 178.930 0.000 . 1 . . . . . . . . 6072 1 439 . 1 1 37 37 LEU CB C 13 42.700 0.000 . 1 . . . . . . . . 6072 1 440 . 1 1 37 37 LEU HB2 H 1 1.925 0.000 . 1 . . . . . . . . 6072 1 441 . 1 1 37 37 LEU HB3 H 1 1.213 0.000 . 1 . . . . . . . . 6072 1 442 . 1 1 37 37 LEU CG C 13 26.580 0.000 . 1 . . . . . . . . 6072 1 443 . 1 1 37 37 LEU CD1 C 13 27.620 0.000 . 1 . . . . . . . . 6072 1 444 . 1 1 37 37 LEU HD11 H 1 0.828 0.000 . 1 . . . . . . . . 6072 1 445 . 1 1 37 37 LEU HD12 H 1 0.828 0.000 . 1 . . . . . . . . 6072 1 446 . 1 1 37 37 LEU HD13 H 1 0.828 0.000 . 1 . . . . . . . . 6072 1 447 . 1 1 37 37 LEU CD2 C 13 22.680 0.000 . 1 . . . . . . . . 6072 1 448 . 1 1 37 37 LEU HD21 H 1 0.540 0.000 . 1 . . . . . . . . 6072 1 449 . 1 1 37 37 LEU HD22 H 1 0.540 0.000 . 1 . . . . . . . . 6072 1 450 . 1 1 37 37 LEU HD23 H 1 0.540 0.000 . 1 . . . . . . . . 6072 1 451 . 1 1 37 37 LEU HG H 1 1.570 0.000 . 1 . . . . . . . . 6072 1 452 . 1 1 38 38 LEU H H 1 8.769 0.000 . 1 . . . . . . . . 6072 1 453 . 1 1 38 38 LEU N N 15 119.680 0.000 . 1 . . . . . . . . 6072 1 454 . 1 1 38 38 LEU CA C 13 57.900 0.000 . 1 . . . . . . . . 6072 1 455 . 1 1 38 38 LEU HA H 1 3.988 0.000 . 1 . . . . . . . . 6072 1 456 . 1 1 38 38 LEU C C 13 178.773 0.000 . 1 . . . . . . . . 6072 1 457 . 1 1 38 38 LEU CB C 13 41.630 0.000 . 1 . . . . . . . . 6072 1 458 . 1 1 38 38 LEU HB2 H 1 1.770 0.000 . 1 . . . . . . . . 6072 1 459 . 1 1 38 38 LEU HB3 H 1 1.573 0.000 . 1 . . . . . . . . 6072 1 460 . 1 1 38 38 LEU CG C 13 27.100 0.000 . 1 . . . . . . . . 6072 1 461 . 1 1 38 38 LEU CD1 C 13 24.410 0.000 . 1 . . . . . . . . 6072 1 462 . 1 1 38 38 LEU HD11 H 1 0.963 0.000 . 1 . . . . . . . . 6072 1 463 . 1 1 38 38 LEU HD12 H 1 0.963 0.000 . 1 . . . . . . . . 6072 1 464 . 1 1 38 38 LEU HD13 H 1 0.963 0.000 . 1 . . . . . . . . 6072 1 465 . 1 1 38 38 LEU CD2 C 13 25.781 0.000 . 1 . . . . . . . . 6072 1 466 . 1 1 38 38 LEU HD21 H 1 1.001 0.000 . 1 . . . . . . . . 6072 1 467 . 1 1 38 38 LEU HD22 H 1 1.001 0.000 . 1 . . . . . . . . 6072 1 468 . 1 1 38 38 LEU HD23 H 1 1.001 0.000 . 1 . . . . . . . . 6072 1 469 . 1 1 38 38 LEU HG H 1 1.599 0.000 . 1 . . . . . . . . 6072 1 470 . 1 1 39 39 THR H H 1 7.836 0.000 . 1 . . . . . . . . 6072 1 471 . 1 1 39 39 THR N N 15 114.970 0.000 . 1 . . . . . . . . 6072 1 472 . 1 1 39 39 THR CA C 13 67.200 0.000 . 1 . . . . . . . . 6072 1 473 . 1 1 39 39 THR HA H 1 3.772 0.000 . 1 . . . . . . . . 6072 1 474 . 1 1 39 39 THR C C 13 178.421 0.000 . 1 . . . . . . . . 6072 1 475 . 1 1 39 39 THR CB C 13 68.600 0.000 . 1 . . . . . . . . 6072 1 476 . 1 1 39 39 THR HB H 1 4.248 0.000 . 1 . . . . . . . . 6072 1 477 . 1 1 39 39 THR CG2 C 13 21.770 0.000 . 1 . . . . . . . . 6072 1 478 . 1 1 39 39 THR HG21 H 1 1.169 0.000 . 1 . . . . . . . . 6072 1 479 . 1 1 39 39 THR HG22 H 1 1.169 0.000 . 1 . . . . . . . . 6072 1 480 . 1 1 39 39 THR HG23 H 1 1.169 0.000 . 1 . . . . . . . . 6072 1 481 . 1 1 40 40 LYS H H 1 7.815 0.000 . 1 . . . . . . . . 6072 1 482 . 1 1 40 40 LYS N N 15 120.930 0.000 . 1 . . . . . . . . 6072 1 483 . 1 1 40 40 LYS CA C 13 60.160 0.000 . 1 . . . . . . . . 6072 1 484 . 1 1 40 40 LYS HA H 1 4.079 0.000 . 1 . . . . . . . . 6072 1 485 . 1 1 40 40 LYS C C 13 177.102 0.000 . 1 . . . . . . . . 6072 1 486 . 1 1 40 40 LYS CB C 13 33.220 0.000 . 1 . . . . . . . . 6072 1 487 . 1 1 40 40 LYS HB2 H 1 2.050 0.000 . 1 . . . . . . . . 6072 1 488 . 1 1 40 40 LYS HB3 H 1 1.801 0.000 . 1 . . . . . . . . 6072 1 489 . 1 1 40 40 LYS CG C 13 26.350 0.000 . 1 . . . . . . . . 6072 1 490 . 1 1 40 40 LYS HG2 H 1 1.754 0.000 . 1 . . . . . . . . 6072 1 491 . 1 1 40 40 LYS HG3 H 1 1.591 0.000 . 1 . . . . . . . . 6072 1 492 . 1 1 40 40 LYS CD C 13 30.050 0.000 . 1 . . . . . . . . 6072 1 493 . 1 1 40 40 LYS HD2 H 1 1.665 0.000 . 1 . . . . . . . . 6072 1 494 . 1 1 40 40 LYS CE C 13 42.450 0.000 . 1 . . . . . . . . 6072 1 495 . 1 1 40 40 LYS HE2 H 1 2.930 0.000 . 1 . . . . . . . . 6072 1 496 . 1 1 41 41 ALA H H 1 8.716 0.000 . 1 . . . . . . . . 6072 1 497 . 1 1 41 41 ALA N N 15 123.800 0.000 . 1 . . . . . . . . 6072 1 498 . 1 1 41 41 ALA CA C 13 55.260 0.000 . 1 . . . . . . . . 6072 1 499 . 1 1 41 41 ALA HA H 1 4.024 0.000 . 1 . . . . . . . . 6072 1 500 . 1 1 41 41 ALA C C 13 179.347 0.000 . 1 . . . . . . . . 6072 1 501 . 1 1 41 41 ALA CB C 13 19.140 0.000 . 1 . . . . . . . . 6072 1 502 . 1 1 41 41 ALA HB1 H 1 1.403 0.000 . 1 . . . . . . . . 6072 1 503 . 1 1 41 41 ALA HB2 H 1 1.403 0.000 . 1 . . . . . . . . 6072 1 504 . 1 1 41 41 ALA HB3 H 1 1.403 0.000 . 1 . . . . . . . . 6072 1 505 . 1 1 42 42 LEU H H 1 8.863 0.000 . 1 . . . . . . . . 6072 1 506 . 1 1 42 42 LEU N N 15 117.360 0.000 . 1 . . . . . . . . 6072 1 507 . 1 1 42 42 LEU CA C 13 57.860 0.000 . 1 . . . . . . . . 6072 1 508 . 1 1 42 42 LEU HA H 1 4.085 0.000 . 1 . . . . . . . . 6072 1 509 . 1 1 42 42 LEU C C 13 178.912 0.000 . 1 . . . . . . . . 6072 1 510 . 1 1 42 42 LEU CB C 13 40.790 0.000 . 1 . . . . . . . . 6072 1 511 . 1 1 42 42 LEU HB2 H 1 1.983 0.000 . 1 . . . . . . . . 6072 1 512 . 1 1 42 42 LEU HB3 H 1 1.462 0.000 . 1 . . . . . . . . 6072 1 513 . 1 1 42 42 LEU CG C 13 27.090 0.000 . 1 . . . . . . . . 6072 1 514 . 1 1 42 42 LEU CD1 C 13 22.780 0.000 . 1 . . . . . . . . 6072 1 515 . 1 1 42 42 LEU HD11 H 1 0.857 0.000 . 1 . . . . . . . . 6072 1 516 . 1 1 42 42 LEU HD12 H 1 0.857 0.000 . 1 . . . . . . . . 6072 1 517 . 1 1 42 42 LEU HD13 H 1 0.857 0.000 . 1 . . . . . . . . 6072 1 518 . 1 1 42 42 LEU CD2 C 13 25.780 0.000 . 1 . . . . . . . . 6072 1 519 . 1 1 42 42 LEU HD21 H 1 0.901 0.000 . 1 . . . . . . . . 6072 1 520 . 1 1 42 42 LEU HD22 H 1 0.901 0.000 . 1 . . . . . . . . 6072 1 521 . 1 1 42 42 LEU HD23 H 1 0.901 0.000 . 1 . . . . . . . . 6072 1 522 . 1 1 42 42 LEU HG H 1 1.870 0.000 . 1 . . . . . . . . 6072 1 523 . 1 1 43 43 HIS H H 1 8.126 0.000 . 1 . . . . . . . . 6072 1 524 . 1 1 43 43 HIS N N 15 120.100 0.000 . 1 . . . . . . . . 6072 1 525 . 1 1 43 43 HIS CA C 13 59.260 0.000 . 1 . . . . . . . . 6072 1 526 . 1 1 43 43 HIS HA H 1 4.354 0.000 . 1 . . . . . . . . 6072 1 527 . 1 1 43 43 HIS C C 13 180.925 0.000 . 1 . . . . . . . . 6072 1 528 . 1 1 43 43 HIS CB C 13 29.300 0.000 . 1 . . . . . . . . 6072 1 529 . 1 1 43 43 HIS HB2 H 1 3.344 0.000 . 1 . . . . . . . . 6072 1 530 . 1 1 43 43 HIS CD2 C 13 62.767 0.000 . 1 . . . . . . . . 6072 1 531 . 1 1 43 43 HIS HD2 H 1 7.168 0.000 . 1 . . . . . . . . 6072 1 532 . 1 1 44 44 LEU H H 1 7.745 0.000 . 1 . . . . . . . . 6072 1 533 . 1 1 44 44 LEU N N 15 120.490 0.000 . 1 . . . . . . . . 6072 1 534 . 1 1 44 44 LEU CA C 13 57.850 0.000 . 1 . . . . . . . . 6072 1 535 . 1 1 44 44 LEU HA H 1 4.085 0.000 . 1 . . . . . . . . 6072 1 536 . 1 1 44 44 LEU C C 13 177.602 0.000 . 1 . . . . . . . . 6072 1 537 . 1 1 44 44 LEU CB C 13 41.630 0.000 . 1 . . . . . . . . 6072 1 538 . 1 1 44 44 LEU HB2 H 1 1.910 0.000 . 1 . . . . . . . . 6072 1 539 . 1 1 44 44 LEU HB3 H 1 1.858 0.000 . 1 . . . . . . . . 6072 1 540 . 1 1 44 44 LEU CG C 13 26.640 0.000 . 1 . . . . . . . . 6072 1 541 . 1 1 44 44 LEU CD1 C 13 24.900 0.000 . 1 . . . . . . . . 6072 1 542 . 1 1 44 44 LEU HD11 H 1 0.875 0.000 . 1 . . . . . . . . 6072 1 543 . 1 1 44 44 LEU HD12 H 1 0.875 0.000 . 1 . . . . . . . . 6072 1 544 . 1 1 44 44 LEU HD13 H 1 0.875 0.000 . 1 . . . . . . . . 6072 1 545 . 1 1 44 44 LEU CD2 C 13 24.840 0.000 . 1 . . . . . . . . 6072 1 546 . 1 1 44 44 LEU HD21 H 1 0.909 0.000 . 1 . . . . . . . . 6072 1 547 . 1 1 44 44 LEU HD22 H 1 0.909 0.000 . 1 . . . . . . . . 6072 1 548 . 1 1 44 44 LEU HD23 H 1 0.909 0.000 . 1 . . . . . . . . 6072 1 549 . 1 1 44 44 LEU HG H 1 1.808 0.000 . 1 . . . . . . . . 6072 1 550 . 1 1 45 45 LEU H H 1 7.363 0.000 . 1 . . . . . . . . 6072 1 551 . 1 1 45 45 LEU N N 15 115.310 0.000 . 1 . . . . . . . . 6072 1 552 . 1 1 45 45 LEU CA C 13 56.700 0.000 . 1 . . . . . . . . 6072 1 553 . 1 1 45 45 LEU HA H 1 4.070 0.000 . 1 . . . . . . . . 6072 1 554 . 1 1 45 45 LEU C C 13 178.213 0.000 . 1 . . . . . . . . 6072 1 555 . 1 1 45 45 LEU CB C 13 41.620 0.000 . 1 . . . . . . . . 6072 1 556 . 1 1 45 45 LEU HB2 H 1 1.824 0.000 . 1 . . . . . . . . 6072 1 557 . 1 1 45 45 LEU HB3 H 1 1.642 0.000 . 1 . . . . . . . . 6072 1 558 . 1 1 45 45 LEU CG C 13 27.085 0.000 . 1 . . . . . . . . 6072 1 559 . 1 1 45 45 LEU CD1 C 13 25.300 0.000 . 1 . . . . . . . . 6072 1 560 . 1 1 45 45 LEU HD11 H 1 0.865 0.000 . 1 . . . . . . . . 6072 1 561 . 1 1 45 45 LEU HD12 H 1 0.865 0.000 . 1 . . . . . . . . 6072 1 562 . 1 1 45 45 LEU HD13 H 1 0.865 0.000 . 1 . . . . . . . . 6072 1 563 . 1 1 45 45 LEU CD2 C 13 23.680 0.000 . 1 . . . . . . . . 6072 1 564 . 1 1 45 45 LEU HD21 H 1 0.797 0.000 . 1 . . . . . . . . 6072 1 565 . 1 1 45 45 LEU HD22 H 1 0.797 0.000 . 1 . . . . . . . . 6072 1 566 . 1 1 45 45 LEU HD23 H 1 0.797 0.000 . 1 . . . . . . . . 6072 1 567 . 1 1 45 45 LEU HG H 1 1.860 0.000 . 1 . . . . . . . . 6072 1 568 . 1 1 46 46 LYS H H 1 7.593 0.000 . 1 . . . . . . . . 6072 1 569 . 1 1 46 46 LYS N N 15 119.330 0.000 . 1 . . . . . . . . 6072 1 570 . 1 1 46 46 LYS CA C 13 58.250 0.000 . 1 . . . . . . . . 6072 1 571 . 1 1 46 46 LYS HA H 1 4.072 0.000 . 1 . . . . . . . . 6072 1 572 . 1 1 46 46 LYS C C 13 179.098 0.000 . 1 . . . . . . . . 6072 1 573 . 1 1 46 46 LYS CB C 13 32.810 0.000 . 1 . . . . . . . . 6072 1 574 . 1 1 46 46 LYS HB2 H 1 1.870 0.000 . 1 . . . . . . . . 6072 1 575 . 1 1 46 46 LYS CG C 13 24.870 0.000 . 1 . . . . . . . . 6072 1 576 . 1 1 46 46 LYS HG2 H 1 1.508 0.000 . 1 . . . . . . . . 6072 1 577 . 1 1 46 46 LYS HG3 H 1 1.447 0.000 . 1 . . . . . . . . 6072 1 578 . 1 1 46 46 LYS CD C 13 29.290 0.000 . 1 . . . . . . . . 6072 1 579 . 1 1 46 46 LYS HD2 H 1 1.694 0.000 . 1 . . . . . . . . 6072 1 580 . 1 1 46 46 LYS CE C 13 42.100 0.000 . 1 . . . . . . . . 6072 1 581 . 1 1 46 46 LYS HE2 H 1 2.990 0.000 . 1 . . . . . . . . 6072 1 582 . 1 1 47 47 ALA H H 1 7.932 0.000 . 1 . . . . . . . . 6072 1 583 . 1 1 47 47 ALA N N 15 120.410 0.000 . 1 . . . . . . . . 6072 1 584 . 1 1 47 47 ALA CA C 13 53.070 0.000 . 1 . . . . . . . . 6072 1 585 . 1 1 47 47 ALA HA H 1 4.290 0.000 . 1 . . . . . . . . 6072 1 586 . 1 1 47 47 ALA C C 13 177.525 0.000 . 1 . . . . . . . . 6072 1 587 . 1 1 47 47 ALA CB C 13 19.120 0.000 . 1 . . . . . . . . 6072 1 588 . 1 1 47 47 ALA HB1 H 1 1.354 0.000 . 1 . . . . . . . . 6072 1 589 . 1 1 47 47 ALA HB2 H 1 1.354 0.000 . 1 . . . . . . . . 6072 1 590 . 1 1 47 47 ALA HB3 H 1 1.354 0.000 . 1 . . . . . . . . 6072 1 591 . 1 1 48 48 GLY H H 1 7.646 0.000 . 1 . . . . . . . . 6072 1 592 . 1 1 48 48 GLY N N 15 108.030 0.000 . 1 . . . . . . . . 6072 1 593 . 1 1 48 48 GLY CA C 13 45.130 0.000 . 1 . . . . . . . . 6072 1 594 . 1 1 48 48 GLY HA2 H 1 3.754 0.000 . 1 . . . . . . . . 6072 1 595 . 1 1 48 48 GLY C C 13 177.970 0.000 . 1 . . . . . . . . 6072 1 596 . 1 1 48 48 GLY HA3 H 1 4.278 0.000 . 1 . . . . . . . . 6072 1 597 . 1 1 49 49 CYS H H 1 8.508 0.000 . 1 . . . . . . . . 6072 1 598 . 1 1 49 49 CYS N N 15 121.800 0.000 . 1 . . . . . . . . 6072 1 599 . 1 1 49 49 CYS CA C 13 57.796 0.000 . 1 . . . . . . . . 6072 1 600 . 1 1 49 49 CYS HA H 1 4.710 0.000 . 1 . . . . . . . . 6072 1 601 . 1 1 49 49 CYS C C 13 173.219 0.000 . 1 . . . . . . . . 6072 1 602 . 1 1 49 49 CYS CB C 13 29.220 0.000 . 1 . . . . . . . . 6072 1 603 . 1 1 49 49 CYS HB2 H 1 2.934 0.000 . 1 . . . . . . . . 6072 1 604 . 1 1 50 50 SER H H 1 8.881 0.000 . 1 . . . . . . . . 6072 1 605 . 1 1 50 50 SER N N 15 122.380 0.000 . 1 . . . . . . . . 6072 1 606 . 1 1 50 50 SER CA C 13 57.154 0.000 . 1 . . . . . . . . 6072 1 607 . 1 1 50 50 SER HA H 1 4.771 0.000 . 1 . . . . . . . . 6072 1 608 . 1 1 50 50 SER C C 13 174.353 0.000 . 1 . . . . . . . . 6072 1 609 . 1 1 50 50 SER CB C 13 62.900 0.000 . 1 . . . . . . . . 6072 1 610 . 1 1 50 50 SER HB2 H 1 4.440 0.000 . 1 . . . . . . . . 6072 1 611 . 1 1 50 50 SER HB3 H 1 4.088 0.000 . 1 . . . . . . . . 6072 1 612 . 1 1 51 51 PRO CA C 13 65.910 0.000 . 1 . . . . . . . . 6072 1 613 . 1 1 51 51 PRO HA H 1 4.205 0.000 . 1 . . . . . . . . 6072 1 614 . 1 1 51 51 PRO CB C 13 31.900 0.000 . 1 . . . . . . . . 6072 1 615 . 1 1 51 51 PRO HB2 H 1 2.455 0.000 . 1 . . . . . . . . 6072 1 616 . 1 1 51 51 PRO HB3 H 1 2.020 0.000 . 1 . . . . . . . . 6072 1 617 . 1 1 51 51 PRO CG C 13 28.030 0.000 . 1 . . . . . . . . 6072 1 618 . 1 1 51 51 PRO HG2 H 1 2.270 0.000 . 1 . . . . . . . . 6072 1 619 . 1 1 51 51 PRO HG3 H 1 2.065 0.000 . 1 . . . . . . . . 6072 1 620 . 1 1 51 51 PRO CD C 13 50.460 0.000 . 1 . . . . . . . . 6072 1 621 . 1 1 51 51 PRO HD2 H 1 3.988 0.000 . 1 . . . . . . . . 6072 1 622 . 1 1 52 52 ALA H H 1 8.193 0.000 . 1 . . . . . . . . 6072 1 623 . 1 1 52 52 ALA N N 15 118.710 0.000 . 1 . . . . . . . . 6072 1 624 . 1 1 52 52 ALA CA C 13 55.300 0.000 . 1 . . . . . . . . 6072 1 625 . 1 1 52 52 ALA HA H 1 4.236 0.000 . 1 . . . . . . . . 6072 1 626 . 1 1 52 52 ALA C C 13 178.665 0.000 . 1 . . . . . . . . 6072 1 627 . 1 1 52 52 ALA CB C 13 18.290 0.000 . 1 . . . . . . . . 6072 1 628 . 1 1 52 52 ALA HB1 H 1 1.593 0.000 . 1 . . . . . . . . 6072 1 629 . 1 1 52 52 ALA HB2 H 1 1.593 0.000 . 1 . . . . . . . . 6072 1 630 . 1 1 52 52 ALA HB3 H 1 1.593 0.000 . 1 . . . . . . . . 6072 1 631 . 1 1 53 53 VAL H H 1 7.827 0.000 . 1 . . . . . . . . 6072 1 632 . 1 1 53 53 VAL N N 15 121.200 0.000 . 1 . . . . . . . . 6072 1 633 . 1 1 53 53 VAL CA C 13 67.040 0.000 . 1 . . . . . . . . 6072 1 634 . 1 1 53 53 VAL HA H 1 3.668 0.000 . 1 . . . . . . . . 6072 1 635 . 1 1 53 53 VAL C C 13 181.109 0.000 . 1 . . . . . . . . 6072 1 636 . 1 1 53 53 VAL CB C 13 31.500 0.000 . 1 . . . . . . . . 6072 1 637 . 1 1 53 53 VAL HB H 1 2.340 0.000 . 1 . . . . . . . . 6072 1 638 . 1 1 53 53 VAL CG1 C 13 24.060 0.000 . 1 . . . . . . . . 6072 1 639 . 1 1 53 53 VAL HG11 H 1 1.164 0.000 . 1 . . . . . . . . 6072 1 640 . 1 1 53 53 VAL HG12 H 1 1.164 0.000 . 1 . . . . . . . . 6072 1 641 . 1 1 53 53 VAL HG13 H 1 1.164 0.000 . 1 . . . . . . . . 6072 1 642 . 1 1 53 53 VAL CG2 C 13 22.300 0.000 . 1 . . . . . . . . 6072 1 643 . 1 1 53 53 VAL HG21 H 1 1.002 0.000 . 1 . . . . . . . . 6072 1 644 . 1 1 53 53 VAL HG22 H 1 1.002 0.000 . 1 . . . . . . . . 6072 1 645 . 1 1 53 53 VAL HG23 H 1 1.002 0.000 . 1 . . . . . . . . 6072 1 646 . 1 1 54 54 GLN H H 1 8.309 0.000 . 1 . . . . . . . . 6072 1 647 . 1 1 54 54 GLN N N 15 119.630 0.000 . 1 . . . . . . . . 6072 1 648 . 1 1 54 54 GLN CA C 13 60.130 0.000 . 1 . . . . . . . . 6072 1 649 . 1 1 54 54 GLN HA H 1 3.772 0.000 . 1 . . . . . . . . 6072 1 650 . 1 1 54 54 GLN C C 13 177.501 0.000 . 1 . . . . . . . . 6072 1 651 . 1 1 54 54 GLN CB C 13 28.070 0.000 . 1 . . . . . . . . 6072 1 652 . 1 1 54 54 GLN HB2 H 1 2.232 0.000 . 1 . . . . . . . . 6072 1 653 . 1 1 54 54 GLN HB3 H 1 2.145 0.000 . 1 . . . . . . . . 6072 1 654 . 1 1 54 54 GLN CG C 13 34.970 0.000 . 1 . . . . . . . . 6072 1 655 . 1 1 54 54 GLN HG2 H 1 2.576 0.000 . 1 . . . . . . . . 6072 1 656 . 1 1 54 54 GLN HG3 H 1 2.051 0.000 . 1 . . . . . . . . 6072 1 657 . 1 1 54 54 GLN NE2 N 15 111.540 0.000 . 1 . . . . . . . . 6072 1 658 . 1 1 54 54 GLN HE21 H 1 7.020 0.000 . 1 . . . . . . . . 6072 1 659 . 1 1 55 55 MET H H 1 8.234 0.000 . 1 . . . . . . . . 6072 1 660 . 1 1 55 55 MET N N 15 115.930 0.000 . 1 . . . . . . . . 6072 1 661 . 1 1 55 55 MET CA C 13 58.300 0.000 . 1 . . . . . . . . 6072 1 662 . 1 1 55 55 MET HA H 1 4.137 0.000 . 1 . . . . . . . . 6072 1 663 . 1 1 55 55 MET C C 13 178.236 0.000 . 1 . . . . . . . . 6072 1 664 . 1 1 55 55 MET CB C 13 32.300 0.000 . 1 . . . . . . . . 6072 1 665 . 1 1 55 55 MET HB2 H 1 2.174 0.000 . 1 . . . . . . . . 6072 1 666 . 1 1 55 55 MET CG C 13 32.390 0.000 . 1 . . . . . . . . 6072 1 667 . 1 1 55 55 MET HG2 H 1 2.743 0.000 . 1 . . . . . . . . 6072 1 668 . 1 1 55 55 MET HG3 H 1 2.682 0.000 . 1 . . . . . . . . 6072 1 669 . 1 1 56 56 LYS H H 1 7.811 0.000 . 1 . . . . . . . . 6072 1 670 . 1 1 56 56 LYS N N 15 121.930 0.000 . 1 . . . . . . . . 6072 1 671 . 1 1 56 56 LYS CA C 13 57.030 0.000 . 1 . . . . . . . . 6072 1 672 . 1 1 56 56 LYS HA H 1 4.085 0.000 . 1 . . . . . . . . 6072 1 673 . 1 1 56 56 LYS C C 13 178.510 0.000 . 1 . . . . . . . . 6072 1 674 . 1 1 56 56 LYS CB C 13 30.550 0.000 . 1 . . . . . . . . 6072 1 675 . 1 1 56 56 LYS HB2 H 1 1.984 0.000 . 1 . . . . . . . . 6072 1 676 . 1 1 56 56 LYS HB3 H 1 1.575 0.000 . 1 . . . . . . . . 6072 1 677 . 1 1 56 56 LYS CG C 13 23.480 0.000 . 1 . . . . . . . . 6072 1 678 . 1 1 56 56 LYS HG2 H 1 1.267 0.000 . 1 . . . . . . . . 6072 1 679 . 1 1 56 56 LYS HG3 H 1 0.999 0.000 . 1 . . . . . . . . 6072 1 680 . 1 1 56 56 LYS CD C 13 26.720 0.000 . 1 . . . . . . . . 6072 1 681 . 1 1 56 56 LYS HD2 H 1 1.404 0.000 . 1 . . . . . . . . 6072 1 682 . 1 1 56 56 LYS HD3 H 1 1.334 0.000 . 1 . . . . . . . . 6072 1 683 . 1 1 56 56 LYS CE C 13 40.700 0.000 . 1 . . . . . . . . 6072 1 684 . 1 1 56 56 LYS HE2 H 1 2.375 0.000 . 1 . . . . . . . . 6072 1 685 . 1 1 57 57 ILE H H 1 8.170 0.000 . 1 . . . . . . . . 6072 1 686 . 1 1 57 57 ILE N N 15 118.950 0.000 . 1 . . . . . . . . 6072 1 687 . 1 1 57 57 ILE CA C 13 67.170 0.000 . 1 . . . . . . . . 6072 1 688 . 1 1 57 57 ILE HA H 1 3.352 0.000 . 1 . . . . . . . . 6072 1 689 . 1 1 57 57 ILE C C 13 178.079 0.000 . 1 . . . . . . . . 6072 1 690 . 1 1 57 57 ILE CB C 13 38.050 0.000 . 1 . . . . . . . . 6072 1 691 . 1 1 57 57 ILE HB H 1 2.030 0.000 . 1 . . . . . . . . 6072 1 692 . 1 1 57 57 ILE CG2 C 13 18.700 0.000 . 1 . . . . . . . . 6072 1 693 . 1 1 57 57 ILE CG1 C 13 31.490 0.000 . 1 . . . . . . . . 6072 1 694 . 1 1 57 57 ILE HG12 H 1 0.698 0.000 . 1 . . . . . . . . 6072 1 695 . 1 1 57 57 ILE HG13 H 1 2.047 0.000 . 1 . . . . . . . . 6072 1 696 . 1 1 57 57 ILE CD1 C 13 15.120 0.000 . 1 . . . . . . . . 6072 1 697 . 1 1 57 57 ILE HD11 H 1 0.805 0.000 . 1 . . . . . . . . 6072 1 698 . 1 1 57 57 ILE HD12 H 1 0.805 0.000 . 1 . . . . . . . . 6072 1 699 . 1 1 57 57 ILE HD13 H 1 0.805 0.000 . 1 . . . . . . . . 6072 1 700 . 1 1 57 57 ILE HG21 H 1 0.854 0.000 . 1 . . . . . . . . 6072 1 701 . 1 1 57 57 ILE HG22 H 1 0.854 0.000 . 1 . . . . . . . . 6072 1 702 . 1 1 57 57 ILE HG23 H 1 0.854 0.000 . 1 . . . . . . . . 6072 1 703 . 1 1 58 58 LYS H H 1 7.408 0.000 . 1 . . . . . . . . 6072 1 704 . 1 1 58 58 LYS N N 15 116.970 0.000 . 1 . . . . . . . . 6072 1 705 . 1 1 58 58 LYS CA C 13 60.280 0.000 . 1 . . . . . . . . 6072 1 706 . 1 1 58 58 LYS HA H 1 4.145 0.000 . 1 . . . . . . . . 6072 1 707 . 1 1 58 58 LYS C C 13 176.918 0.000 . 1 . . . . . . . . 6072 1 708 . 1 1 58 58 LYS CB C 13 32.400 0.000 . 1 . . . . . . . . 6072 1 709 . 1 1 58 58 LYS HB2 H 1 1.892 0.000 . 1 . . . . . . . . 6072 1 710 . 1 1 58 58 LYS CG C 13 26.600 0.000 . 1 . . . . . . . . 6072 1 711 . 1 1 58 58 LYS HG2 H 1 1.277 0.000 . 1 . . . . . . . . 6072 1 712 . 1 1 58 58 LYS HG3 H 1 1.651 0.000 . 1 . . . . . . . . 6072 1 713 . 1 1 58 58 LYS CD C 13 29.970 0.000 . 1 . . . . . . . . 6072 1 714 . 1 1 58 58 LYS HD2 H 1 1.700 0.000 . 1 . . . . . . . . 6072 1 715 . 1 1 58 58 LYS CE C 13 42.200 0.000 . 1 . . . . . . . . 6072 1 716 . 1 1 58 58 LYS HE2 H 1 2.864 0.000 . 1 . . . . . . . . 6072 1 717 . 1 1 59 59 GLU H H 1 8.275 0.000 . 1 . . . . . . . . 6072 1 718 . 1 1 59 59 GLU N N 15 119.830 0.000 . 1 . . . . . . . . 6072 1 719 . 1 1 59 59 GLU CA C 13 59.260 0.000 . 1 . . . . . . . . 6072 1 720 . 1 1 59 59 GLU HA H 1 3.958 0.000 . 1 . . . . . . . . 6072 1 721 . 1 1 59 59 GLU C C 13 178.635 0.000 . 1 . . . . . . . . 6072 1 722 . 1 1 59 59 GLU CB C 13 30.160 0.000 . 1 . . . . . . . . 6072 1 723 . 1 1 59 59 GLU HB2 H 1 2.172 0.000 . 1 . . . . . . . . 6072 1 724 . 1 1 59 59 GLU CG C 13 35.920 0.000 . 1 . . . . . . . . 6072 1 725 . 1 1 59 59 GLU HG2 H 1 2.362 0.000 . 1 . . . . . . . . 6072 1 726 . 1 1 59 59 GLU HG3 H 1 2.056 0.000 . 1 . . . . . . . . 6072 1 727 . 1 1 60 60 LEU H H 1 8.415 0.000 . 1 . . . . . . . . 6072 1 728 . 1 1 60 60 LEU N N 15 118.940 0.000 . 1 . . . . . . . . 6072 1 729 . 1 1 60 60 LEU CA C 13 57.460 0.000 . 1 . . . . . . . . 6072 1 730 . 1 1 60 60 LEU HA H 1 3.982 0.000 . 1 . . . . . . . . 6072 1 731 . 1 1 60 60 LEU C C 13 179.323 0.000 . 1 . . . . . . . . 6072 1 732 . 1 1 60 60 LEU CB C 13 42.490 0.000 . 1 . . . . . . . . 6072 1 733 . 1 1 60 60 LEU HB2 H 1 2.026 0.000 . 1 . . . . . . . . 6072 1 734 . 1 1 60 60 LEU HB3 H 1 1.233 0.000 . 1 . . . . . . . . 6072 1 735 . 1 1 60 60 LEU CG C 13 26.720 0.000 . 1 . . . . . . . . 6072 1 736 . 1 1 60 60 LEU CD1 C 13 22.200 0.000 . 1 . . . . . . . . 6072 1 737 . 1 1 60 60 LEU HD11 H 1 0.882 0.000 . 1 . . . . . . . . 6072 1 738 . 1 1 60 60 LEU HD12 H 1 0.882 0.000 . 1 . . . . . . . . 6072 1 739 . 1 1 60 60 LEU HD13 H 1 0.882 0.000 . 1 . . . . . . . . 6072 1 740 . 1 1 60 60 LEU CD2 C 13 27.080 0.000 . 1 . . . . . . . . 6072 1 741 . 1 1 60 60 LEU HD21 H 1 0.845 0.000 . 1 . . . . . . . . 6072 1 742 . 1 1 60 60 LEU HD22 H 1 0.845 0.000 . 1 . . . . . . . . 6072 1 743 . 1 1 60 60 LEU HD23 H 1 0.845 0.000 . 1 . . . . . . . . 6072 1 744 . 1 1 60 60 LEU HG H 1 1.934 0.000 . 1 . . . . . . . . 6072 1 745 . 1 1 61 61 TYR H H 1 8.637 0.000 . 1 . . . . . . . . 6072 1 746 . 1 1 61 61 TYR N N 15 120.030 0.000 . 1 . . . . . . . . 6072 1 747 . 1 1 61 61 TYR CA C 13 61.470 0.000 . 1 . . . . . . . . 6072 1 748 . 1 1 61 61 TYR HA H 1 4.004 0.000 . 1 . . . . . . . . 6072 1 749 . 1 1 61 61 TYR C C 13 179.303 0.000 . 1 . . . . . . . . 6072 1 750 . 1 1 61 61 TYR CB C 13 39.870 0.000 . 1 . . . . . . . . 6072 1 751 . 1 1 61 61 TYR HB2 H 1 3.204 0.000 . 1 . . . . . . . . 6072 1 752 . 1 1 61 61 TYR HB3 H 1 3.017 0.000 . 1 . . . . . . . . 6072 1 753 . 1 1 61 61 TYR CD1 C 13 20.400 0.000 . 1 . . . . . . . . 6072 1 754 . 1 1 61 61 TYR HD1 H 1 7.084 0.000 . 2 . . . . . . . . 6072 1 755 . 1 1 61 61 TYR CD2 C 13 20.400 0.000 . 1 . . . . . . . . 6072 1 756 . 1 1 61 61 TYR CE1 C 13 61.900 0.000 . 1 . . . . . . . . 6072 1 757 . 1 1 61 61 TYR HE1 H 1 6.824 0.000 . 2 . . . . . . . . 6072 1 758 . 1 1 61 61 TYR CE2 C 13 61.900 0.000 . 1 . . . . . . . . 6072 1 759 . 1 1 62 62 ARG H H 1 8.100 0.000 . 1 . . . . . . . . 6072 1 760 . 1 1 62 62 ARG N N 15 116.210 0.000 . 1 . . . . . . . . 6072 1 761 . 1 1 62 62 ARG CA C 13 57.600 0.000 . 1 . . . . . . . . 6072 1 762 . 1 1 62 62 ARG HA H 1 4.107 0.000 . 1 . . . . . . . . 6072 1 763 . 1 1 62 62 ARG C C 13 177.199 0.000 . 1 . . . . . . . . 6072 1 764 . 1 1 62 62 ARG CB C 13 30.120 0.000 . 1 . . . . . . . . 6072 1 765 . 1 1 62 62 ARG HB2 H 1 2.030 0.000 . 1 . . . . . . . . 6072 1 766 . 1 1 62 62 ARG HB3 H 1 1.996 0.000 . 1 . . . . . . . . 6072 1 767 . 1 1 62 62 ARG CG C 13 28.000 0.000 . 1 . . . . . . . . 6072 1 768 . 1 1 62 62 ARG HG2 H 1 1.976 0.000 . 1 . . . . . . . . 6072 1 769 . 1 1 62 62 ARG HG3 H 1 1.833 0.000 . 1 . . . . . . . . 6072 1 770 . 1 1 62 62 ARG CD C 13 43.660 0.000 . 1 . . . . . . . . 6072 1 771 . 1 1 62 62 ARG HD2 H 1 3.242 0.000 . 1 . . . . . . . . 6072 1 772 . 1 1 63 63 ARG H H 1 7.469 0.000 . 1 . . . . . . . . 6072 1 773 . 1 1 63 63 ARG N N 15 118.160 0.000 . 1 . . . . . . . . 6072 1 774 . 1 1 63 63 ARG CA C 13 57.430 0.000 . 1 . . . . . . . . 6072 1 775 . 1 1 63 63 ARG HA H 1 4.214 0.000 . 1 . . . . . . . . 6072 1 776 . 1 1 63 63 ARG C C 13 177.173 0.000 . 1 . . . . . . . . 6072 1 777 . 1 1 63 63 ARG CB C 13 30.100 0.000 . 1 . . . . . . . . 6072 1 778 . 1 1 63 63 ARG HB2 H 1 1.902 0.000 . 1 . . . . . . . . 6072 1 779 . 1 1 63 63 ARG CG C 13 27.500 0.000 . 1 . . . . . . . . 6072 1 780 . 1 1 63 63 ARG HG2 H 1 1.903 0.000 . 1 . . . . . . . . 6072 1 781 . 1 1 63 63 ARG HG3 H 1 1.712 0.000 . 1 . . . . . . . . 6072 1 782 . 1 1 63 63 ARG CD C 13 43.820 0.000 . 1 . . . . . . . . 6072 1 783 . 1 1 63 63 ARG HD2 H 1 3.194 0.000 . 1 . . . . . . . . 6072 1 784 . 1 1 64 64 ARG H H 1 7.323 0.000 . 1 . . . . . . . . 6072 1 785 . 1 1 64 64 ARG N N 15 117.620 0.000 . 1 . . . . . . . . 6072 1 786 . 1 1 64 64 ARG CA C 13 56.280 0.000 . 1 . . . . . . . . 6072 1 787 . 1 1 64 64 ARG HA H 1 4.201 0.000 . 1 . . . . . . . . 6072 1 788 . 1 1 64 64 ARG C C 13 176.571 0.000 . 1 . . . . . . . . 6072 1 789 . 1 1 64 64 ARG CB C 13 30.580 0.000 . 1 . . . . . . . . 6072 1 790 . 1 1 64 64 ARG HB2 H 1 1.574 0.000 . 1 . . . . . . . . 6072 1 791 . 1 1 64 64 ARG HB3 H 1 1.495 0.000 . 1 . . . . . . . . 6072 1 792 . 1 1 64 64 ARG CG C 13 26.610 0.000 . 1 . . . . . . . . 6072 1 793 . 1 1 64 64 ARG HG2 H 1 1.280 0.000 . 1 . . . . . . . . 6072 1 794 . 1 1 64 64 ARG HG3 H 1 1.072 0.000 . 1 . . . . . . . . 6072 1 795 . 1 1 64 64 ARG CD C 13 43.300 0.000 . 1 . . . . . . . . 6072 1 796 . 1 1 64 64 ARG HD2 H 1 2.906 0.000 . 1 . . . . . . . . 6072 1 797 . 1 1 65 65 PHE H H 1 7.469 0.000 . 1 . . . . . . . . 6072 1 798 . 1 1 65 65 PHE N N 15 124.890 0.000 . 1 . . . . . . . . 6072 1 799 . 1 1 65 65 PHE CA C 13 59.190 0.000 . 1 . . . . . . . . 6072 1 800 . 1 1 65 65 PHE HA H 1 4.432 0.000 . 1 . . . . . . . . 6072 1 801 . 1 1 65 65 PHE C C 13 174.998 0.000 . 1 . . . . . . . . 6072 1 802 . 1 1 65 65 PHE CB C 13 40.440 0.000 . 1 . . . . . . . . 6072 1 803 . 1 1 65 65 PHE HB2 H 1 3.130 0.000 . 1 . . . . . . . . 6072 1 804 . 1 1 65 65 PHE HB3 H 1 2.642 0.000 . 1 . . . . . . . . 6072 1 805 . 1 1 65 65 PHE CD1 C 13 19.150 0.000 . 1 . . . . . . . . 6072 1 806 . 1 1 65 65 PHE HD1 H 1 7.177 0.000 . 2 . . . . . . . . 6072 1 807 . 1 1 65 65 PHE CD2 C 13 19.150 0.000 . 1 . . . . . . . . 6072 1 stop_ save_