data_7120 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7120 _Entry.Title ; The SAM domain of DLC1 defines a novel structure that interacts with elongation factor 1A1 at cortical actin and membrane ruffles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-18 _Entry.Accession_date 2006-06-02 _Entry.Last_release_date 2009-05-27 _Entry.Original_release_date 2009-05-27 _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. Yang . . . 7120 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7120 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 7120 '15N chemical shifts' 76 7120 '1H chemical shifts' 511 7120 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 . . 2009-05-27 2006-05-18 original author . 7120 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GYT 'BMRB Entry Tracking System' 7120 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7120 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The SAM domain of DLC1 defines a novel structure that interacts with elongation factor 1A1 at cortical actin and membrane ruffles' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 D. Zhong . . . 7120 1 2 S. Yang . . . 7120 1 3 J. Zhang . . . 7120 1 4 J. Buschdorf . P. . 7120 1 5 D. Yang . . . 7120 1 6 B. Low . C. . 7120 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein structure' 7120 1 'SAM domain' 7120 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DLC1-SAM _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DLC1-SAM _Assembly.Entry_ID 7120 _Assembly.ID 1 _Assembly.Name 'Rho-GTPase-activating protein 7' _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 'all free' _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 7120 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 'Deleted in liver cancer 1 protein, isoform 2' 1 $DLC1-SAM . . . native . . . . . 7120 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 2GYT . . . . . . 7120 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Rho-GTPase-activating protein 7' abbreviation 7120 1 'Rho-GTPase-activating protein 7' system 7120 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DLC1-SAM _Entity.Sf_category entity _Entity.Sf_framecode DLC1-SAM _Entity.Entry_ID 7120 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Rho-GTPase-activating protein 7' _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 ; MCRKKPDTMILTQIEAKEAC DWLRATGFPQYAQLYEDFLF PIDISLVKREHDFLDRDAIE ALCRRLNTLNKCAVMK ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DKY . "Solution Structure Of The Sam-Domain Of Rho-Gtpase- Activating Protein 7" . . . . . 100.00 91 100.00 100.00 4.73e-49 . . . . 7120 1 2 no PDB 2GYT . "Solution Structure Of The Sam (Sterile Alpha Motif) Domain Of Dlc1 (Deleted In Liver Cancer 1)" . . . . . 100.00 76 100.00 100.00 3.54e-48 . . . . 7120 1 3 no PDB 2KAP . "Solution Structure Of Dlc1-Sam" . . . . . 78.95 60 100.00 100.00 8.49e-36 . . . . 7120 1 4 no DBJ BAB21814 . "KIAA1723 protein [Homo sapiens]" . . . . . 84.21 1554 98.44 100.00 1.09e-35 . . . . 7120 1 5 no DBJ BAF82423 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1091 100.00 100.00 1.06e-45 . . . . 7120 1 6 no DBJ BAF84371 . "unnamed protein product [Homo sapiens]" . . . . . 84.21 1528 98.44 100.00 1.05e-35 . . . . 7120 1 7 no DBJ BAG10131 . "Rho GTPase-activating protein 7 [synthetic construct]" . . . . . 84.21 1528 98.44 100.00 1.13e-35 . . . . 7120 1 8 no GB AAB81637 . "HP protein [Homo sapiens]" . . . . . 89.47 1083 100.00 100.00 3.96e-39 . . . . 7120 1 9 no GB AAB87700 . "deleted in liver cancer-1 [Homo sapiens]" . . . . . 100.00 1091 100.00 100.00 1.27e-45 . . . . 7120 1 10 no GB AAH54511 . "Deleted in liver cancer 1 [Homo sapiens]" . . . . . 84.21 1528 98.44 100.00 1.12e-35 . . . . 7120 1 11 no GB AAK97501 . "deleted in liver cancer 1 [Homo sapiens]" . . . . . 100.00 1091 100.00 100.00 1.06e-45 . . . . 7120 1 12 no GB ACE86794 . "deleted in liver cancer 1 protein [synthetic construct]" . . . . . 84.21 1528 98.44 100.00 1.12e-35 . . . . 7120 1 13 no PIR G59435 . "DLC-1 (deleted in liver cancer), p122 [imported] - human" . . . . . 100.00 1091 100.00 100.00 1.27e-45 . . . . 7120 1 14 no REF NP_006085 . "rho GTPase-activating protein 7 isoform 2 [Homo sapiens]" . . . . . 100.00 1091 100.00 100.00 1.06e-45 . . . . 7120 1 15 no REF NP_872584 . "rho GTPase-activating protein 7 isoform 1 [Homo sapiens]" . . . . . 84.21 1528 98.44 100.00 1.08e-35 . . . . 7120 1 16 no REF XP_001092830 . "PREDICTED: rho GTPase-activating protein 7 isoform 6 [Macaca mulatta]" . . . . . 84.21 1528 98.44 100.00 7.85e-36 . . . . 7120 1 17 no REF XP_002919590 . "PREDICTED: rho GTPase-activating protein 7-like isoform 2 [Ailuropoda melanoleuca]" . . . . . 100.00 1091 97.37 97.37 7.96e-44 . . . . 7120 1 18 no REF XP_003256738 . "PREDICTED: rho GTPase-activating protein 7 isoform 1 [Nomascus leucogenys]" . . . . . 100.00 1091 98.68 100.00 3.72e-45 . . . . 7120 1 19 no SP Q96QB1 . "RecName: Full=Rho GTPase-activating protein 7; AltName: Full=Deleted in liver cancer 1 protein; Short=DLC-1; AltName: Full=HP p" . . . . . 84.21 1528 98.44 100.00 1.08e-35 . . . . 7120 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Rho-GTPase-activating protein 7' abbreviation 7120 1 'Rho-GTPase-activating protein 7' common 7120 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 1 MET . 7120 1 2 2 CYS . 7120 1 3 3 ARG . 7120 1 4 4 LYS . 7120 1 5 5 LYS . 7120 1 6 6 PRO . 7120 1 7 7 ASP . 7120 1 8 8 THR . 7120 1 9 9 MET . 7120 1 10 10 ILE . 7120 1 11 11 LEU . 7120 1 12 12 THR . 7120 1 13 13 GLN . 7120 1 14 14 ILE . 7120 1 15 15 GLU . 7120 1 16 16 ALA . 7120 1 17 17 LYS . 7120 1 18 18 GLU . 7120 1 19 19 ALA . 7120 1 20 20 CYS . 7120 1 21 21 ASP . 7120 1 22 22 TRP . 7120 1 23 23 LEU . 7120 1 24 24 ARG . 7120 1 25 25 ALA . 7120 1 26 26 THR . 7120 1 27 27 GLY . 7120 1 28 28 PHE . 7120 1 29 29 PRO . 7120 1 30 30 GLN . 7120 1 31 31 TYR . 7120 1 32 32 ALA . 7120 1 33 33 GLN . 7120 1 34 34 LEU . 7120 1 35 35 TYR . 7120 1 36 36 GLU . 7120 1 37 37 ASP . 7120 1 38 38 PHE . 7120 1 39 39 LEU . 7120 1 40 40 PHE . 7120 1 41 41 PRO . 7120 1 42 42 ILE . 7120 1 43 43 ASP . 7120 1 44 44 ILE . 7120 1 45 45 SER . 7120 1 46 46 LEU . 7120 1 47 47 VAL . 7120 1 48 48 LYS . 7120 1 49 49 ARG . 7120 1 50 50 GLU . 7120 1 51 51 HIS . 7120 1 52 52 ASP . 7120 1 53 53 PHE . 7120 1 54 54 LEU . 7120 1 55 55 ASP . 7120 1 56 56 ARG . 7120 1 57 57 ASP . 7120 1 58 58 ALA . 7120 1 59 59 ILE . 7120 1 60 60 GLU . 7120 1 61 61 ALA . 7120 1 62 62 LEU . 7120 1 63 63 CYS . 7120 1 64 64 ARG . 7120 1 65 65 ARG . 7120 1 66 66 LEU . 7120 1 67 67 ASN . 7120 1 68 68 THR . 7120 1 69 69 LEU . 7120 1 70 70 ASN . 7120 1 71 71 LYS . 7120 1 72 72 CYS . 7120 1 73 73 ALA . 7120 1 74 74 VAL . 7120 1 75 75 MET . 7120 1 76 76 LYS . 7120 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 7120 1 . CYS 2 2 7120 1 . ARG 3 3 7120 1 . LYS 4 4 7120 1 . LYS 5 5 7120 1 . PRO 6 6 7120 1 . ASP 7 7 7120 1 . THR 8 8 7120 1 . MET 9 9 7120 1 . ILE 10 10 7120 1 . LEU 11 11 7120 1 . THR 12 12 7120 1 . GLN 13 13 7120 1 . ILE 14 14 7120 1 . GLU 15 15 7120 1 . ALA 16 16 7120 1 . LYS 17 17 7120 1 . GLU 18 18 7120 1 . ALA 19 19 7120 1 . CYS 20 20 7120 1 . ASP 21 21 7120 1 . TRP 22 22 7120 1 . LEU 23 23 7120 1 . ARG 24 24 7120 1 . ALA 25 25 7120 1 . THR 26 26 7120 1 . GLY 27 27 7120 1 . PHE 28 28 7120 1 . PRO 29 29 7120 1 . GLN 30 30 7120 1 . TYR 31 31 7120 1 . ALA 32 32 7120 1 . GLN 33 33 7120 1 . LEU 34 34 7120 1 . TYR 35 35 7120 1 . GLU 36 36 7120 1 . ASP 37 37 7120 1 . PHE 38 38 7120 1 . LEU 39 39 7120 1 . PHE 40 40 7120 1 . PRO 41 41 7120 1 . ILE 42 42 7120 1 . ASP 43 43 7120 1 . ILE 44 44 7120 1 . SER 45 45 7120 1 . LEU 46 46 7120 1 . VAL 47 47 7120 1 . LYS 48 48 7120 1 . ARG 49 49 7120 1 . GLU 50 50 7120 1 . HIS 51 51 7120 1 . ASP 52 52 7120 1 . PHE 53 53 7120 1 . LEU 54 54 7120 1 . ASP 55 55 7120 1 . ARG 56 56 7120 1 . ASP 57 57 7120 1 . ALA 58 58 7120 1 . ILE 59 59 7120 1 . GLU 60 60 7120 1 . ALA 61 61 7120 1 . LEU 62 62 7120 1 . CYS 63 63 7120 1 . ARG 64 64 7120 1 . ARG 65 65 7120 1 . LEU 66 66 7120 1 . ASN 67 67 7120 1 . THR 68 68 7120 1 . LEU 69 69 7120 1 . ASN 70 70 7120 1 . LYS 71 71 7120 1 . CYS 72 72 7120 1 . ALA 73 73 7120 1 . VAL 74 74 7120 1 . MET 75 75 7120 1 . LYS 76 76 7120 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 7120 _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 $DLC1-SAM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7120 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 7120 _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 $DLC1-SAM . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7120 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7120 _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 'Rho-GTPase-activating protein 7' '[U-15N; U-13C]' . . 1 $DLC1-SAM . . 1 . . mM . . . . 7120 1 2 'sodium phosphate buffer' . . . . . . . 50 . . mM . . . . 7120 1 3 DTT . . . . . . . 3 . . mM . . . . 7120 1 4 H2O . . . . . . . 90 . . % . . . . 7120 1 5 D2O . . . . . . . 10 . . % . . . . 7120 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7120 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rho-GTPase-activating protein 7' [U-15N] . . 1 $DLC1-SAM . . 1 . . mM . . . . 7120 2 2 'sodium phosphate buffer' . . . . . . . 50 . . mM . . . . 7120 2 3 DTT . . . . . . . 3 . . mM . . . . 7120 2 4 H2O . . . . . . . 90 . . % . . . . 7120 2 5 D2O . . . . . . . 10 . . % . . . . 7120 2 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 7120 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 7120 1 pH 7.0 . pH 7120 1 pressure 1 . atm 7120 1 temperature 298 . K 7120 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7120 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details BRUKER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7120 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 7120 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2_01 _Software.Details 'Johnson, B.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7120 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7120 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2004.126.16.02 _Software.Details 'Delaglio, F. et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7120 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 7120 _Software.ID 4 _Software.Name AMBER _Software.Version 7 _Software.Details 'Case, D.A. et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7120 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 7120 _Software.ID 5 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details 'Cornilescu,G. et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7120 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7120 _Software.ID 6 _Software.Name CYANA _Software.Version 1.0.5 _Software.Details 'Guntert, P. et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7120 6 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 7120 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 7120 _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 Bruker AVANCE . 500 . . . 7120 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 7120 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7120 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7120 1 stop_ 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 7120 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7120 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7120 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7120 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 7120 _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 . 7120 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 3 3 ARG CA C 13 56.077 0.3 . 1 . . . . 3 . . . 7120 1 2 . 1 1 3 3 ARG HA H 1 4.303 0.04 . 1 . . . . 3 . . . 7120 1 3 . 1 1 3 3 ARG CB C 13 30.761 0.3 . 1 . . . . 3 . . . 7120 1 4 . 1 1 3 3 ARG HB3 H 1 1.824 0.04 . 2 . . . . 3 . . . 7120 1 5 . 1 1 3 3 ARG HB2 H 1 1.718 0.04 . 2 . . . . 3 . . . 7120 1 6 . 1 1 3 3 ARG CG C 13 27.194 0.3 . 1 . . . . 3 . . . 7120 1 7 . 1 1 3 3 ARG HG3 H 1 1.602 0.04 . 2 . . . . 3 . . . 7120 1 8 . 1 1 3 3 ARG CD C 13 43.254 0.3 . 1 . . . . 3 . . . 7120 1 9 . 1 1 3 3 ARG HD3 H 1 3.157 0.04 . 2 . . . . 3 . . . 7120 1 10 . 1 1 4 4 LYS N N 15 123.378 0.2 . 1 . . . . 4 . . . 7120 1 11 . 1 1 4 4 LYS H H 1 8.419 0.04 . 1 . . . . 4 . . . 7120 1 12 . 1 1 4 4 LYS CA C 13 56.251 0.3 . 1 . . . . 4 . . . 7120 1 13 . 1 1 4 4 LYS HA H 1 2.959 0.04 . 1 . . . . 4 . . . 7120 1 14 . 1 1 4 4 LYS CB C 13 33.216 0.3 . 1 . . . . 4 . . . 7120 1 15 . 1 1 4 4 LYS HB3 H 1 1.736 0.04 . 2 . . . . 4 . . . 7120 1 16 . 1 1 4 4 LYS HB2 H 1 1.714 0.04 . 2 . . . . 4 . . . 7120 1 17 . 1 1 4 4 LYS CG C 13 24.738 0.3 . 1 . . . . 4 . . . 7120 1 18 . 1 1 4 4 LYS HG3 H 1 1.389 0.04 . 2 . . . . 4 . . . 7120 1 19 . 1 1 4 4 LYS CD C 13 29.075 0.3 . 1 . . . . 4 . . . 7120 1 20 . 1 1 4 4 LYS HD3 H 1 1.736 0.04 . 2 . . . . 4 . . . 7120 1 21 . 1 1 4 4 LYS CE C 13 42.075 0.3 . 1 . . . . 4 . . . 7120 1 22 . 1 1 4 4 LYS HE3 H 1 2.959 0.04 . 2 . . . . 4 . . . 7120 1 23 . 1 1 5 5 LYS N N 15 124.865 0.2 . 1 . . . . 5 . . . 7120 1 24 . 1 1 5 5 LYS H H 1 8.464 0.04 . 1 . . . . 5 . . . 7120 1 25 . 1 1 5 5 LYS CA C 13 54.472 0.3 . 1 . . . . 5 . . . 7120 1 26 . 1 1 5 5 LYS HA H 1 4.527 0.04 . 1 . . . . 5 . . . 7120 1 27 . 1 1 5 5 LYS CB C 13 32.425 0.3 . 1 . . . . 5 . . . 7120 1 28 . 1 1 5 5 LYS HB3 H 1 1.81 0.04 . 2 . . . . 5 . . . 7120 1 29 . 1 1 5 5 LYS HB2 H 1 1.711 0.04 . 2 . . . . 5 . . . 7120 1 30 . 1 1 5 5 LYS CG C 13 24.8 0.3 . 1 . . . . 5 . . . 7120 1 31 . 1 1 5 5 LYS HG3 H 1 1.456 0.04 . 2 . . . . 5 . . . 7120 1 32 . 1 1 6 6 PRO CA C 13 63.291 0.3 . 1 . . . . 6 . . . 7120 1 33 . 1 1 6 6 PRO HA H 1 4.369 0.04 . 1 . . . . 6 . . . 7120 1 34 . 1 1 6 6 PRO CB C 13 32.112 0.3 . 1 . . . . 6 . . . 7120 1 35 . 1 1 6 6 PRO HB3 H 1 2.256 0.04 . 2 . . . . 6 . . . 7120 1 36 . 1 1 6 6 PRO HB2 H 1 1.861 0.04 . 2 . . . . 6 . . . 7120 1 37 . 1 1 6 6 PRO CG C 13 27.429 0.3 . 1 . . . . 6 . . . 7120 1 38 . 1 1 6 6 PRO HG3 H 1 1.98 0.04 . 2 . . . . 6 . . . 7120 1 39 . 1 1 6 6 PRO CD C 13 50.646 0.3 . 1 . . . . 6 . . . 7120 1 40 . 1 1 6 6 PRO HD3 H 1 3.795 0.04 . 2 . . . . 6 . . . 7120 1 41 . 1 1 6 6 PRO HD2 H 1 3.613 0.04 . 2 . . . . 6 . . . 7120 1 42 . 1 1 7 7 ASP N N 15 120.796 0.2 . 1 . . . . 7 . . . 7120 1 43 . 1 1 7 7 ASP H H 1 8.452 0.04 . 1 . . . . 7 . . . 7120 1 44 . 1 1 7 7 ASP CA C 13 54.675 0.3 . 1 . . . . 7 . . . 7120 1 45 . 1 1 7 7 ASP HA H 1 4.563 0.04 . 1 . . . . 7 . . . 7120 1 46 . 1 1 7 7 ASP CB C 13 41.039 0.3 . 1 . . . . 7 . . . 7120 1 47 . 1 1 7 7 ASP HB3 H 1 2.711 0.04 . 2 . . . . 7 . . . 7120 1 48 . 1 1 7 7 ASP HB2 H 1 2.63 0.04 . 2 . . . . 7 . . . 7120 1 49 . 1 1 8 8 THR N N 15 114.284 0.2 . 1 . . . . 8 . . . 7120 1 50 . 1 1 8 8 THR H H 1 8.086 0.04 . 1 . . . . 8 . . . 7120 1 51 . 1 1 8 8 THR CA C 13 69.481 0.3 . 1 . . . . 8 . . . 7120 1 52 . 1 1 8 8 THR HA H 1 4.231 0.04 . 1 . . . . 8 . . . 7120 1 53 . 1 1 8 8 THR CB C 13 63.078 0.3 . 1 . . . . 8 . . . 7120 1 54 . 1 1 8 8 THR HB H 1 4.504 0.04 . 1 . . . . 8 . . . 7120 1 55 . 1 1 8 8 THR CG2 C 13 21.85 0.3 . 1 . . . . 8 . . . 7120 1 56 . 1 1 8 8 THR HG21 H 1 1.212 0.04 . 1 . . . . 8 . . . 7120 1 57 . 1 1 8 8 THR HG22 H 1 1.212 0.04 . 1 . . . . 8 . . . 7120 1 58 . 1 1 8 8 THR HG23 H 1 1.212 0.04 . 1 . . . . 8 . . . 7120 1 59 . 1 1 9 9 MET N N 15 122.688 0.2 . 1 . . . . 9 . . . 7120 1 60 . 1 1 9 9 MET H H 1 8.408 0.04 . 1 . . . . 9 . . . 7120 1 61 . 1 1 9 9 MET CA C 13 56.748 0.3 . 1 . . . . 9 . . . 7120 1 62 . 1 1 9 9 MET HA H 1 4.425 0.04 . 1 . . . . 9 . . . 7120 1 63 . 1 1 9 9 MET CB C 13 32.203 0.3 . 1 . . . . 9 . . . 7120 1 64 . 1 1 9 9 MET HB3 H 1 2.089 0.04 . 2 . . . . 9 . . . 7120 1 65 . 1 1 9 9 MET CG C 13 32.203 0.3 . 1 . . . . 9 . . . 7120 1 66 . 1 1 9 9 MET HG3 H 1 2.597 0.04 . 2 . . . . 9 . . . 7120 1 67 . 1 1 9 9 MET HG2 H 1 2.51 0.04 . 2 . . . . 9 . . . 7120 1 68 . 1 1 10 10 ILE N N 15 121.165 0.2 . 1 . . . . 10 . . . 7120 1 69 . 1 1 10 10 ILE H H 1 7.983 0.04 . 1 . . . . 10 . . . 7120 1 70 . 1 1 10 10 ILE CA C 13 62.521 0.3 . 1 . . . . 10 . . . 7120 1 71 . 1 1 10 10 ILE HA H 1 4.047 0.04 . 1 . . . . 10 . . . 7120 1 72 . 1 1 10 10 ILE CB C 13 38.043 0.3 . 1 . . . . 10 . . . 7120 1 73 . 1 1 10 10 ILE HB H 1 1.917 0.04 . 1 . . . . 10 . . . 7120 1 74 . 1 1 10 10 ILE CG1 C 13 27.82 0.3 . 2 . . . . 10 . . . 7120 1 75 . 1 1 10 10 ILE HG13 H 1 1.489 0.04 . 4 . . . . 10 . . . 7120 1 76 . 1 1 10 10 ILE HG12 H 1 1.241 0.04 . 9 . . . . 10 . . . 7120 1 77 . 1 1 10 10 ILE CD1 C 13 12.82 0.3 . 1 . . . . 10 . . . 7120 1 78 . 1 1 10 10 ILE HD11 H 1 0.853 0.04 . 1 . . . . 10 . . . 7120 1 79 . 1 1 10 10 ILE HD12 H 1 0.853 0.04 . 1 . . . . 10 . . . 7120 1 80 . 1 1 10 10 ILE HD13 H 1 0.853 0.04 . 1 . . . . 10 . . . 7120 1 81 . 1 1 10 10 ILE CG2 C 13 17.547 0.3 . 2 . . . . 10 . . . 7120 1 82 . 1 1 10 10 ILE HG21 H 1 0.933 0.04 . 4 . . . . 10 . . . 7120 1 83 . 1 1 10 10 ILE HG22 H 1 0.933 0.04 . 4 . . . . 10 . . . 7120 1 84 . 1 1 10 10 ILE HG23 H 1 0.933 0.04 . 4 . . . . 10 . . . 7120 1 85 . 1 1 11 11 LEU N N 15 123.007 0.2 . 1 . . . . 11 . . . 7120 1 86 . 1 1 11 11 LEU H H 1 8.152 0.04 . 1 . . . . 11 . . . 7120 1 87 . 1 1 11 11 LEU CA C 13 56.782 0.3 . 1 . . . . 11 . . . 7120 1 88 . 1 1 11 11 LEU HA H 1 4.252 0.04 . 1 . . . . 11 . . . 7120 1 89 . 1 1 11 11 LEU CB C 13 41.767 0.3 . 1 . . . . 11 . . . 7120 1 90 . 1 1 11 11 LEU HB3 H 1 1.76 0.04 . 2 . . . . 11 . . . 7120 1 91 . 1 1 11 11 LEU HB2 H 1 1.613 0.04 . 2 . . . . 11 . . . 7120 1 92 . 1 1 11 11 LEU CG C 13 26.963 0.3 . 1 . . . . 11 . . . 7120 1 93 . 1 1 11 11 LEU HG H 1 1.569 0.04 . 1 . . . . 11 . . . 7120 1 94 . 1 1 11 11 LEU CD1 C 13 23.468 0.3 . 2 . . . . 11 . . . 7120 1 95 . 1 1 11 11 LEU HD11 H 1 0.836 0.04 . 4 . . . . 11 . . . 7120 1 96 . 1 1 11 11 LEU HD12 H 1 0.836 0.04 . 4 . . . . 11 . . . 7120 1 97 . 1 1 11 11 LEU HD13 H 1 0.836 0.04 . 4 . . . . 11 . . . 7120 1 98 . 1 1 11 11 LEU CD2 C 13 25.095 0.3 . 2 . . . . 11 . . . 7120 1 99 . 1 1 11 11 LEU HD21 H 1 0.899 0.04 . 4 . . . . 11 . . . 7120 1 100 . 1 1 11 11 LEU HD22 H 1 0.899 0.04 . 4 . . . . 11 . . . 7120 1 101 . 1 1 11 11 LEU HD23 H 1 0.899 0.04 . 4 . . . . 11 . . . 7120 1 102 . 1 1 12 12 THR N N 15 113.928 0.2 . 1 . . . . 12 . . . 7120 1 103 . 1 1 12 12 THR H H 1 8.034 0.04 . 1 . . . . 12 . . . 7120 1 104 . 1 1 12 12 THR CA C 13 64.294 0.3 . 1 . . . . 12 . . . 7120 1 105 . 1 1 12 12 THR HA H 1 4.206 0.04 . 1 . . . . 12 . . . 7120 1 106 . 1 1 12 12 THR CB C 13 69.558 0.3 . 1 . . . . 12 . . . 7120 1 107 . 1 1 12 12 THR HB H 1 4.314 0.04 . 1 . . . . 12 . . . 7120 1 108 . 1 1 12 12 THR CG2 C 13 22.252 0.3 . 1 . . . . 12 . . . 7120 1 109 . 1 1 12 12 THR HG21 H 1 1.303 0.04 . 1 . . . . 12 . . . 7120 1 110 . 1 1 12 12 THR HG22 H 1 1.303 0.04 . 1 . . . . 12 . . . 7120 1 111 . 1 1 12 12 THR HG23 H 1 1.303 0.04 . 1 . . . . 12 . . . 7120 1 112 . 1 1 13 13 GLN N N 15 120.744 0.2 . 1 . . . . 13 . . . 7120 1 113 . 1 1 13 13 GLN H H 1 8.023 0.04 . 1 . . . . 13 . . . 7120 1 114 . 1 1 13 13 GLN CA C 13 57.989 0.3 . 1 . . . . 13 . . . 7120 1 115 . 1 1 13 13 GLN HA H 1 4.216 0.04 . 1 . . . . 13 . . . 7120 1 116 . 1 1 13 13 GLN CB C 13 28.496 0.3 . 1 . . . . 13 . . . 7120 1 117 . 1 1 13 13 GLN HB3 H 1 2.201 0.04 . 2 . . . . 13 . . . 7120 1 118 . 1 1 13 13 GLN HB2 H 1 2.131 0.04 . 2 . . . . 13 . . . 7120 1 119 . 1 1 13 13 GLN CG C 13 34.071 0.3 . 1 . . . . 13 . . . 7120 1 120 . 1 1 13 13 GLN HG3 H 1 2.52 0.04 . 2 . . . . 13 . . . 7120 1 121 . 1 1 13 13 GLN HG2 H 1 2.442 0.04 . 2 . . . . 13 . . . 7120 1 122 . 1 1 13 13 GLN NE2 N 15 111.933 0.2 . 1 . . . . 13 . . . 7120 1 123 . 1 1 13 13 GLN HE21 H 1 7.576 0.04 . 2 . . . . 13 . . . 7120 1 124 . 1 1 13 13 GLN HE22 H 1 6.92 0.04 . 2 . . . . 13 . . . 7120 1 125 . 1 1 14 14 ILE N N 15 122.961 0.2 . 1 . . . . 14 . . . 7120 1 126 . 1 1 14 14 ILE H H 1 8.162 0.04 . 1 . . . . 14 . . . 7120 1 127 . 1 1 14 14 ILE CA C 13 64.705 0.3 . 1 . . . . 14 . . . 7120 1 128 . 1 1 14 14 ILE HA H 1 3.778 0.04 . 1 . . . . 14 . . . 7120 1 129 . 1 1 14 14 ILE CB C 13 37.979 0.3 . 1 . . . . 14 . . . 7120 1 130 . 1 1 14 14 ILE HB H 1 1.904 0.04 . 1 . . . . 14 . . . 7120 1 131 . 1 1 14 14 ILE CG1 C 13 28.777 0.3 . 2 . . . . 14 . . . 7120 1 132 . 1 1 14 14 ILE HG13 H 1 1.199 0.04 . 4 . . . . 14 . . . 7120 1 133 . 1 1 14 14 ILE HG12 H 1 1.648 0.04 . 9 . . . . 14 . . . 7120 1 134 . 1 1 14 14 ILE CD1 C 13 13.115 0.3 . 1 . . . . 14 . . . 7120 1 135 . 1 1 14 14 ILE HD11 H 1 0.893 0.04 . 1 . . . . 14 . . . 7120 1 136 . 1 1 14 14 ILE HD12 H 1 0.893 0.04 . 1 . . . . 14 . . . 7120 1 137 . 1 1 14 14 ILE HD13 H 1 0.893 0.04 . 1 . . . . 14 . . . 7120 1 138 . 1 1 14 14 ILE CG2 C 13 17.163 0.3 . 2 . . . . 14 . . . 7120 1 139 . 1 1 14 14 ILE HG21 H 1 0.893 0.04 . 4 . . . . 14 . . . 7120 1 140 . 1 1 14 14 ILE HG22 H 1 0.893 0.04 . 4 . . . . 14 . . . 7120 1 141 . 1 1 14 14 ILE HG23 H 1 0.893 0.04 . 4 . . . . 14 . . . 7120 1 142 . 1 1 15 15 GLU N N 15 120.568 0.2 . 1 . . . . 15 . . . 7120 1 143 . 1 1 15 15 GLU H H 1 8.404 0.04 . 1 . . . . 15 . . . 7120 1 144 . 1 1 15 15 GLU CA C 13 59.597 0.3 . 1 . . . . 15 . . . 7120 1 145 . 1 1 15 15 GLU HA H 1 3.993 0.04 . 1 . . . . 15 . . . 7120 1 146 . 1 1 15 15 GLU CB C 13 29.348 0.3 . 1 . . . . 15 . . . 7120 1 147 . 1 1 15 15 GLU HB3 H 1 1.995 0.04 . 2 . . . . 15 . . . 7120 1 148 . 1 1 15 15 GLU HB2 H 1 1.835 0.04 . 2 . . . . 15 . . . 7120 1 149 . 1 1 15 15 GLU CG C 13 36.81 0.3 . 1 . . . . 15 . . . 7120 1 150 . 1 1 15 15 GLU HG3 H 1 2.269 0.04 . 2 . . . . 15 . . . 7120 1 151 . 1 1 15 15 GLU HG2 H 1 2.137 0.04 . 2 . . . . 15 . . . 7120 1 152 . 1 1 16 16 ALA N N 15 122.017 0.2 . 1 . . . . 16 . . . 7120 1 153 . 1 1 16 16 ALA H H 1 7.968 0.04 . 1 . . . . 16 . . . 7120 1 154 . 1 1 16 16 ALA CA C 13 54.615 0.3 . 1 . . . . 16 . . . 7120 1 155 . 1 1 16 16 ALA HA H 1 3.794 0.04 . 1 . . . . 16 . . . 7120 1 156 . 1 1 16 16 ALA CB C 13 18.232 0.3 . 1 . . . . 16 . . . 7120 1 157 . 1 1 16 16 ALA HB1 H 1 1.355 0.04 . 1 . . . . 16 . . . 7120 1 158 . 1 1 16 16 ALA HB2 H 1 1.355 0.04 . 1 . . . . 16 . . . 7120 1 159 . 1 1 16 16 ALA HB3 H 1 1.355 0.04 . 1 . . . . 16 . . . 7120 1 160 . 1 1 17 17 LYS N N 15 120.914 0.2 . 1 . . . . 17 . . . 7120 1 161 . 1 1 17 17 LYS H H 1 7.987 0.04 . 1 . . . . 17 . . . 7120 1 162 . 1 1 17 17 LYS CA C 13 59.603 0.3 . 1 . . . . 17 . . . 7120 1 163 . 1 1 17 17 LYS HA H 1 3.962 0.04 . 1 . . . . 17 . . . 7120 1 164 . 1 1 17 17 LYS CB C 13 32.077 0.3 . 1 . . . . 17 . . . 7120 1 165 . 1 1 17 17 LYS HB3 H 1 1.995 0.04 . 2 . . . . 17 . . . 7120 1 166 . 1 1 17 17 LYS HB2 H 1 1.93 0.04 . 2 . . . . 17 . . . 7120 1 167 . 1 1 17 17 LYS CG C 13 24.869 0.3 . 1 . . . . 17 . . . 7120 1 168 . 1 1 17 17 LYS HG3 H 1 1.454 0.04 . 2 . . . . 17 . . . 7120 1 169 . 1 1 17 17 LYS HG2 H 1 1.43 0.04 . 9 . . . . 17 . . . 7120 1 170 . 1 1 17 17 LYS CD C 13 28.805 0.3 . 1 . . . . 17 . . . 7120 1 171 . 1 1 17 17 LYS HD3 H 1 1.731 0.04 . 2 . . . . 17 . . . 7120 1 172 . 1 1 17 17 LYS HD2 H 1 1.608 0.04 . 2 . . . . 17 . . . 7120 1 173 . 1 1 17 17 LYS CE C 13 42.4 0.3 . 1 . . . . 17 . . . 7120 1 174 . 1 1 17 17 LYS HE3 H 1 2.996 0.04 . 2 . . . . 17 . . . 7120 1 175 . 1 1 18 18 GLU N N 15 118.005 0.2 . 1 . . . . 18 . . . 7120 1 176 . 1 1 18 18 GLU H H 1 8.177 0.04 . 1 . . . . 18 . . . 7120 1 177 . 1 1 18 18 GLU CA C 13 59.603 0.3 . 1 . . . . 18 . . . 7120 1 178 . 1 1 18 18 GLU HA H 1 4.072 0.04 . 1 . . . . 18 . . . 7120 1 179 . 1 1 18 18 GLU CB C 13 29.353 0.3 . 1 . . . . 18 . . . 7120 1 180 . 1 1 18 18 GLU HB3 H 1 2.103 0.04 . 2 . . . . 18 . . . 7120 1 181 . 1 1 18 18 GLU HB2 H 1 2.021 0.04 . 2 . . . . 18 . . . 7120 1 182 . 1 1 18 18 GLU CG C 13 36.589 0.3 . 1 . . . . 18 . . . 7120 1 183 . 1 1 18 18 GLU HG3 H 1 2.482 0.04 . 2 . . . . 18 . . . 7120 1 184 . 1 1 18 18 GLU HG2 H 1 2.214 0.04 . 2 . . . . 18 . . . 7120 1 185 . 1 1 19 19 ALA N N 15 122.151 0.2 . 1 . . . . 19 . . . 7120 1 186 . 1 1 19 19 ALA H H 1 7.735 0.04 . 1 . . . . 19 . . . 7120 1 187 . 1 1 19 19 ALA CA C 13 55.362 0.3 . 1 . . . . 19 . . . 7120 1 188 . 1 1 19 19 ALA HA H 1 4.27 0.04 . 1 . . . . 19 . . . 7120 1 189 . 1 1 19 19 ALA CB C 13 17.375 0.3 . 1 . . . . 19 . . . 7120 1 190 . 1 1 19 19 ALA HB1 H 1 1.388 0.04 . 1 . . . . 19 . . . 7120 1 191 . 1 1 19 19 ALA HB2 H 1 1.388 0.04 . 1 . . . . 19 . . . 7120 1 192 . 1 1 19 19 ALA HB3 H 1 1.388 0.04 . 1 . . . . 19 . . . 7120 1 193 . 1 1 20 20 CYS N N 15 117.108 0.2 . 1 . . . . 20 . . . 7120 1 194 . 1 1 20 20 CYS H H 1 8.503 0.04 . 1 . . . . 20 . . . 7120 1 195 . 1 1 20 20 CYS CA C 13 65.69 0.3 . 1 . . . . 20 . . . 7120 1 196 . 1 1 20 20 CYS HA H 1 4.095 0.04 . 1 . . . . 20 . . . 7120 1 197 . 1 1 20 20 CYS CB C 13 27.449 0.3 . 1 . . . . 20 . . . 7120 1 198 . 1 1 20 20 CYS HB3 H 1 3.224 0.04 . 2 . . . . 20 . . . 7120 1 199 . 1 1 20 20 CYS HB2 H 1 2.749 0.04 . 2 . . . . 20 . . . 7120 1 200 . 1 1 21 21 ASP N N 15 120.722 0.2 . 1 . . . . 21 . . . 7120 1 201 . 1 1 21 21 ASP H H 1 8.913 0.04 . 1 . . . . 21 . . . 7120 1 202 . 1 1 21 21 ASP CA C 13 57.503 0.3 . 1 . . . . 21 . . . 7120 1 203 . 1 1 21 21 ASP HA H 1 4.328 0.04 . 1 . . . . 21 . . . 7120 1 204 . 1 1 21 21 ASP CB C 13 39.569 0.3 . 1 . . . . 21 . . . 7120 1 205 . 1 1 21 21 ASP HB3 H 1 2.87 0.04 . 2 . . . . 21 . . . 7120 1 206 . 1 1 21 21 ASP HB2 H 1 2.638 0.04 . 2 . . . . 21 . . . 7120 1 207 . 1 1 22 22 TRP N N 15 122.783 0.2 . 1 . . . . 22 . . . 7120 1 208 . 1 1 22 22 TRP H H 1 8.234 0.04 . 1 . . . . 22 . . . 7120 1 209 . 1 1 22 22 TRP CA C 13 62.65 0.3 . 1 . . . . 22 . . . 7120 1 210 . 1 1 22 22 TRP HA H 1 4.105 0.04 . 1 . . . . 22 . . . 7120 1 211 . 1 1 22 22 TRP CB C 13 29.475 0.3 . 1 . . . . 22 . . . 7120 1 212 . 1 1 22 22 TRP HB3 H 1 3.516 0.04 . 2 . . . . 22 . . . 7120 1 213 . 1 1 22 22 TRP HB2 H 1 3.359 0.04 . 2 . . . . 22 . . . 7120 1 214 . 1 1 22 22 TRP CD1 C 13 127.716 0.3 . 1 . . . . 22 . . . 7120 1 215 . 1 1 22 22 TRP HD1 H 1 7.244 0.04 . 1 . . . . 22 . . . 7120 1 216 . 1 1 22 22 TRP NE1 N 15 131.12 0.2 . 1 . . . . 22 . . . 7120 1 217 . 1 1 22 22 TRP HE1 H 1 10.078 0.04 . 1 . . . . 22 . . . 7120 1 218 . 1 1 22 22 TRP CZ2 C 13 115.548 0.3 . 1 . . . . 22 . . . 7120 1 219 . 1 1 22 22 TRP HZ2 H 1 7.501 0.04 . 1 . . . . 22 . . . 7120 1 220 . 1 1 22 22 TRP CH2 C 13 124.054 0.3 . 1 . . . . 22 . . . 7120 1 221 . 1 1 22 22 TRP HH2 H 1 7.19 0.04 . 1 . . . . 22 . . . 7120 1 222 . 1 1 22 22 TRP CZ3 C 13 121.069 0.3 . 1 . . . . 22 . . . 7120 1 223 . 1 1 22 22 TRP HZ3 H 1 6.902 0.04 . 1 . . . . 22 . . . 7120 1 224 . 1 1 22 22 TRP CE3 C 13 118.712 0.3 . 1 . . . . 22 . . . 7120 1 225 . 1 1 22 22 TRP HE3 H 1 7.196 0.04 . 1 . . . . 22 . . . 7120 1 226 . 1 1 23 23 LEU N N 15 122.356 0.2 . 1 . . . . 23 . . . 7120 1 227 . 1 1 23 23 LEU H H 1 8.858 0.04 . 1 . . . . 23 . . . 7120 1 228 . 1 1 23 23 LEU CA C 13 58.973 0.3 . 1 . . . . 23 . . . 7120 1 229 . 1 1 23 23 LEU HA H 1 4.031 0.04 . 1 . . . . 23 . . . 7120 1 230 . 1 1 23 23 LEU CB C 13 40.806 0.3 . 1 . . . . 23 . . . 7120 1 231 . 1 1 23 23 LEU HB3 H 1 2.189 0.04 . 2 . . . . 23 . . . 7120 1 232 . 1 1 23 23 LEU HB2 H 1 1.996 0.04 . 2 . . . . 23 . . . 7120 1 233 . 1 1 23 23 LEU CG C 13 27.495 0.3 . 1 . . . . 23 . . . 7120 1 234 . 1 1 23 23 LEU HG H 1 2.315 0.04 . 1 . . . . 23 . . . 7120 1 235 . 1 1 23 23 LEU CD1 C 13 27.495 0.3 . 2 . . . . 23 . . . 7120 1 236 . 1 1 23 23 LEU HD11 H 1 0.843 0.04 . 4 . . . . 23 . . . 7120 1 237 . 1 1 23 23 LEU HD12 H 1 0.843 0.04 . 4 . . . . 23 . . . 7120 1 238 . 1 1 23 23 LEU HD13 H 1 0.843 0.04 . 4 . . . . 23 . . . 7120 1 239 . 1 1 23 23 LEU CD2 C 13 25.019 0.3 . 2 . . . . 23 . . . 7120 1 240 . 1 1 23 23 LEU HD21 H 1 1.223 0.04 . 4 . . . . 23 . . . 7120 1 241 . 1 1 23 23 LEU HD22 H 1 1.223 0.04 . 4 . . . . 23 . . . 7120 1 242 . 1 1 23 23 LEU HD23 H 1 1.223 0.04 . 4 . . . . 23 . . . 7120 1 243 . 1 1 24 24 ARG N N 15 116.383 0.2 . 1 . . . . 24 . . . 7120 1 244 . 1 1 24 24 ARG H H 1 8.11 0.04 . 1 . . . . 24 . . . 7120 1 245 . 1 1 24 24 ARG CA C 13 60.781 0.3 . 1 . . . . 24 . . . 7120 1 246 . 1 1 24 24 ARG HA H 1 3.662 0.04 . 1 . . . . 24 . . . 7120 1 247 . 1 1 24 24 ARG CB C 13 30.333 0.3 . 1 . . . . 24 . . . 7120 1 248 . 1 1 24 24 ARG HB3 H 1 1.845 0.04 . 2 . . . . 24 . . . 7120 1 249 . 1 1 24 24 ARG HB2 H 1 1.458 0.04 . 2 . . . . 24 . . . 7120 1 250 . 1 1 24 24 ARG CD C 13 42.915 0.3 . 1 . . . . 24 . . . 7120 1 251 . 1 1 24 24 ARG HD3 H 1 3.19 0.04 . 2 . . . . 24 . . . 7120 1 252 . 1 1 25 25 ALA N N 15 121.085 0.2 . 1 . . . . 25 . . . 7120 1 253 . 1 1 25 25 ALA H H 1 8.046 0.04 . 1 . . . . 25 . . . 7120 1 254 . 1 1 25 25 ALA CA C 13 54.122 0.3 . 1 . . . . 25 . . . 7120 1 255 . 1 1 25 25 ALA HA H 1 4.051 0.04 . 1 . . . . 25 . . . 7120 1 256 . 1 1 25 25 ALA CB C 13 18.871 0.3 . 1 . . . . 25 . . . 7120 1 257 . 1 1 25 25 ALA HB1 H 1 1.266 0.04 . 1 . . . . 25 . . . 7120 1 258 . 1 1 25 25 ALA HB2 H 1 1.266 0.04 . 1 . . . . 25 . . . 7120 1 259 . 1 1 25 25 ALA HB3 H 1 1.266 0.04 . 1 . . . . 25 . . . 7120 1 260 . 1 1 26 26 THR N N 15 111.32 0.2 . 1 . . . . 26 . . . 7120 1 261 . 1 1 26 26 THR H H 1 7.466 0.04 . 1 . . . . 26 . . . 7120 1 262 . 1 1 26 26 THR CA C 13 62.081 0.3 . 1 . . . . 26 . . . 7120 1 263 . 1 1 26 26 THR HA H 1 3.907 0.04 . 1 . . . . 26 . . . 7120 1 264 . 1 1 26 26 THR CB C 13 68.768 0.3 . 1 . . . . 26 . . . 7120 1 265 . 1 1 26 26 THR HB H 1 3.021 0.04 . 1 . . . . 26 . . . 7120 1 266 . 1 1 26 26 THR CG2 C 13 22.431 0.3 . 1 . . . . 26 . . . 7120 1 267 . 1 1 26 26 THR HG21 H 1 0.857 0.04 . 1 . . . . 26 . . . 7120 1 268 . 1 1 26 26 THR HG22 H 1 0.857 0.04 . 1 . . . . 26 . . . 7120 1 269 . 1 1 26 26 THR HG23 H 1 0.857 0.04 . 1 . . . . 26 . . . 7120 1 270 . 1 1 27 27 GLY N N 15 120.534 0.2 . 1 . . . . 27 . . . 7120 1 271 . 1 1 27 27 GLY H H 1 7.092 0.04 . 1 . . . . 27 . . . 7120 1 272 . 1 1 27 27 GLY CA C 13 44.857 0.3 . 1 . . . . 27 . . . 7120 1 273 . 1 1 27 27 GLY HA3 H 1 3.863 0.04 . 2 . . . . 27 . . . 7120 1 274 . 1 1 27 27 GLY HA2 H 1 3.512 0.04 . 2 . . . . 27 . . . 7120 1 275 . 1 1 28 28 PHE N N 15 118.38 0.2 . 1 . . . . 28 . . . 7120 1 276 . 1 1 28 28 PHE H H 1 8.575 0.04 . 1 . . . . 28 . . . 7120 1 277 . 1 1 28 28 PHE CA C 13 55.072 0.3 . 9 . . . . 28 . . . 7120 1 278 . 1 1 28 28 PHE HA H 1 5.167 0.04 . 1 . . . . 28 . . . 7120 1 279 . 1 1 28 28 PHE CB C 13 40.933 0.3 . 9 . . . . 28 . . . 7120 1 280 . 1 1 28 28 PHE HB3 H 1 3.432 0.04 . 2 . . . . 28 . . . 7120 1 281 . 1 1 28 28 PHE HB2 H 1 2.806 0.04 . 2 . . . . 28 . . . 7120 1 282 . 1 1 28 28 PHE CD1 C 13 132.476 0.3 . 3 . . . . 28 . . . 7120 1 283 . 1 1 28 28 PHE HD1 H 1 7.032 0.04 . 3 . . . . 28 . . . 7120 1 284 . 1 1 28 28 PHE CE1 C 13 131.704 0.3 . 3 . . . . 28 . . . 7120 1 285 . 1 1 28 28 PHE HE1 H 1 7.156 0.04 . 3 . . . . 28 . . . 7120 1 286 . 1 1 28 28 PHE CZ C 13 129.584 0.3 . 1 . . . . 28 . . . 7120 1 287 . 1 1 28 28 PHE HZ H 1 7.163 0.04 . 1 . . . . 28 . . . 7120 1 288 . 1 1 29 29 PRO CA C 13 65.68 0.3 . 1 . . . . 29 . . . 7120 1 289 . 1 1 29 29 PRO HA H 1 3.97 0.04 . 1 . . . . 29 . . . 7120 1 290 . 1 1 29 29 PRO CB C 13 31.455 0.3 . 1 . . . . 29 . . . 7120 1 291 . 1 1 29 29 PRO HB3 H 1 2.261 0.04 . 2 . . . . 29 . . . 7120 1 292 . 1 1 29 29 PRO HB2 H 1 2.145 0.04 . 2 . . . . 29 . . . 7120 1 293 . 1 1 29 29 PRO CG C 13 27.402 0.3 . 1 . . . . 29 . . . 7120 1 294 . 1 1 29 29 PRO HG3 H 1 2.089 0.04 . 9 . . . . 29 . . . 7120 1 295 . 1 1 29 29 PRO HG2 H 1 2.022 0.04 . 9 . . . . 29 . . . 7120 1 296 . 1 1 29 29 PRO CD C 13 50.808 0.3 . 1 . . . . 29 . . . 7120 1 297 . 1 1 29 29 PRO HD3 H 1 3.714 0.04 . 9 . . . . 29 . . . 7120 1 298 . 1 1 29 29 PRO HD2 H 1 3.365 0.04 . 9 . . . . 29 . . . 7120 1 299 . 1 1 30 30 GLN N N 15 121.324 0.2 . 1 . . . . 30 . . . 7120 1 300 . 1 1 30 30 GLN H H 1 10.147 0.04 . 1 . . . . 30 . . . 7120 1 301 . 1 1 30 30 GLN CA C 13 58.106 0.3 . 1 . . . . 30 . . . 7120 1 302 . 1 1 30 30 GLN HA H 1 4.243 0.04 . 1 . . . . 30 . . . 7120 1 303 . 1 1 30 30 GLN CB C 13 26.194 0.3 . 1 . . . . 30 . . . 7120 1 304 . 1 1 30 30 GLN HB3 H 1 1.988 0.04 . 2 . . . . 30 . . . 7120 1 305 . 1 1 30 30 GLN HB2 H 1 1.863 0.04 . 2 . . . . 30 . . . 7120 1 306 . 1 1 30 30 GLN CG C 13 31.814 0.3 . 1 . . . . 30 . . . 7120 1 307 . 1 1 30 30 GLN HG3 H 1 2.316 0.04 . 2 . . . . 30 . . . 7120 1 308 . 1 1 30 30 GLN HG2 H 1 1.565 0.04 . 2 . . . . 30 . . . 7120 1 309 . 1 1 30 30 GLN NE2 N 15 112.236 0.2 . 1 . . . . 30 . . . 7120 1 310 . 1 1 30 30 GLN HE21 H 1 7.591 0.04 . 2 . . . . 30 . . . 7120 1 311 . 1 1 30 30 GLN HE22 H 1 7.685 0.04 . 2 . . . . 30 . . . 7120 1 312 . 1 1 31 31 TYR N N 15 119.417 0.2 . 1 . . . . 31 . . . 7120 1 313 . 1 1 31 31 TYR H H 1 7.238 0.04 . 1 . . . . 31 . . . 7120 1 314 . 1 1 31 31 TYR CA C 13 60.701 0.3 . 1 . . . . 31 . . . 7120 1 315 . 1 1 31 31 TYR HA H 1 4.718 0.04 . 1 . . . . 31 . . . 7120 1 316 . 1 1 31 31 TYR CB C 13 39.245 0.3 . 1 . . . . 31 . . . 7120 1 317 . 1 1 31 31 TYR HB3 H 1 3.242 0.04 . 2 . . . . 31 . . . 7120 1 318 . 1 1 31 31 TYR HB2 H 1 3.009 0.04 . 2 . . . . 31 . . . 7120 1 319 . 1 1 31 31 TYR CD1 C 13 131.659 0.3 . 3 . . . . 31 . . . 7120 1 320 . 1 1 31 31 TYR HD1 H 1 7.085 0.04 . 3 . . . . 31 . . . 7120 1 321 . 1 1 31 31 TYR CE1 C 13 118.683 0.3 . 3 . . . . 31 . . . 7120 1 322 . 1 1 31 31 TYR HE1 H 1 6.8 0.04 . 3 . . . . 31 . . . 7120 1 323 . 1 1 32 32 ALA N N 15 121.403 0.2 . 1 . . . . 32 . . . 7120 1 324 . 1 1 32 32 ALA H H 1 6.835 0.04 . 1 . . . . 32 . . . 7120 1 325 . 1 1 32 32 ALA CA C 13 54.899 0.3 . 1 . . . . 32 . . . 7120 1 326 . 1 1 32 32 ALA HA H 1 4.231 0.04 . 1 . . . . 32 . . . 7120 1 327 . 1 1 32 32 ALA CB C 13 18.434 0.3 . 1 . . . . 32 . . . 7120 1 328 . 1 1 32 32 ALA HB1 H 1 1.535 0.04 . 1 . . . . 32 . . . 7120 1 329 . 1 1 32 32 ALA HB2 H 1 1.535 0.04 . 1 . . . . 32 . . . 7120 1 330 . 1 1 32 32 ALA HB3 H 1 1.535 0.04 . 1 . . . . 32 . . . 7120 1 331 . 1 1 33 33 GLN N N 15 117.03 0.2 . 1 . . . . 33 . . . 7120 1 332 . 1 1 33 33 GLN H H 1 7.958 0.04 . 1 . . . . 33 . . . 7120 1 333 . 1 1 33 33 GLN CA C 13 58.774 0.3 . 1 . . . . 33 . . . 7120 1 334 . 1 1 33 33 GLN HA H 1 3.572 0.04 . 1 . . . . 33 . . . 7120 1 335 . 1 1 33 33 GLN CB C 13 28.962 0.3 . 1 . . . . 33 . . . 7120 1 336 . 1 1 33 33 GLN HB3 H 1 2.061 0.04 . 2 . . . . 33 . . . 7120 1 337 . 1 1 33 33 GLN HB2 H 1 1.928 0.04 . 2 . . . . 33 . . . 7120 1 338 . 1 1 33 33 GLN CG C 13 37.107 0.3 . 1 . . . . 33 . . . 7120 1 339 . 1 1 33 33 GLN HG3 H 1 2.649 0.04 . 2 . . . . 33 . . . 7120 1 340 . 1 1 33 33 GLN HG2 H 1 2.284 0.04 . 2 . . . . 33 . . . 7120 1 341 . 1 1 33 33 GLN NE2 N 15 116.694 0.2 . 1 . . . . 33 . . . 7120 1 342 . 1 1 33 33 GLN HE21 H 1 7.958 0.04 . 2 . . . . 33 . . . 7120 1 343 . 1 1 33 33 GLN HE22 H 1 6.863 0.04 . 2 . . . . 33 . . . 7120 1 344 . 1 1 34 34 LEU N N 15 117.697 0.2 . 1 . . . . 34 . . . 7120 1 345 . 1 1 34 34 LEU H H 1 7.845 0.04 . 1 . . . . 34 . . . 7120 1 346 . 1 1 34 34 LEU CA C 13 58.293 0.3 . 1 . . . . 34 . . . 7120 1 347 . 1 1 34 34 LEU HA H 1 4.188 0.04 . 1 . . . . 34 . . . 7120 1 348 . 1 1 34 34 LEU CB C 13 43.237 0.3 . 1 . . . . 34 . . . 7120 1 349 . 1 1 34 34 LEU HB3 H 1 2.251 0.04 . 2 . . . . 34 . . . 7120 1 350 . 1 1 34 34 LEU HB2 H 1 1.699 0.04 . 2 . . . . 34 . . . 7120 1 351 . 1 1 34 34 LEU CG C 13 26.827 0.3 . 1 . . . . 34 . . . 7120 1 352 . 1 1 34 34 LEU HG H 1 1.906 0.04 . 1 . . . . 34 . . . 7120 1 353 . 1 1 34 34 LEU CD1 C 13 24.359 0.3 . 2 . . . . 34 . . . 7120 1 354 . 1 1 34 34 LEU HD11 H 1 0.952 0.04 . 4 . . . . 34 . . . 7120 1 355 . 1 1 34 34 LEU HD12 H 1 0.952 0.04 . 4 . . . . 34 . . . 7120 1 356 . 1 1 34 34 LEU HD13 H 1 0.952 0.04 . 4 . . . . 34 . . . 7120 1 357 . 1 1 34 34 LEU CD2 C 13 25.842 0.3 . 2 . . . . 34 . . . 7120 1 358 . 1 1 34 34 LEU HD21 H 1 0.952 0.04 . 4 . . . . 34 . . . 7120 1 359 . 1 1 34 34 LEU HD22 H 1 0.952 0.04 . 4 . . . . 34 . . . 7120 1 360 . 1 1 34 34 LEU HD23 H 1 0.952 0.04 . 4 . . . . 34 . . . 7120 1 361 . 1 1 35 35 TYR N N 15 118.476 0.2 . 1 . . . . 35 . . . 7120 1 362 . 1 1 35 35 TYR H H 1 7.587 0.04 . 1 . . . . 35 . . . 7120 1 363 . 1 1 35 35 TYR CA C 13 62.281 0.3 . 1 . . . . 35 . . . 7120 1 364 . 1 1 35 35 TYR HA H 1 3.813 0.04 . 1 . . . . 35 . . . 7120 1 365 . 1 1 35 35 TYR CB C 13 37.688 0.3 . 1 . . . . 35 . . . 7120 1 366 . 1 1 35 35 TYR HB3 H 1 2.846 0.04 . 2 . . . . 35 . . . 7120 1 367 . 1 1 35 35 TYR HB2 H 1 2.079 0.04 . 2 . . . . 35 . . . 7120 1 368 . 1 1 35 35 TYR CD1 C 13 133.558 0.3 . 3 . . . . 35 . . . 7120 1 369 . 1 1 35 35 TYR HD1 H 1 6.288 0.04 . 3 . . . . 35 . . . 7120 1 370 . 1 1 35 35 TYR CE1 C 13 118.211 0.3 . 3 . . . . 35 . . . 7120 1 371 . 1 1 35 35 TYR HE1 H 1 6.556 0.04 . 3 . . . . 35 . . . 7120 1 372 . 1 1 36 36 GLU N N 15 122.157 0.2 . 1 . . . . 36 . . . 7120 1 373 . 1 1 36 36 GLU H H 1 8.274 0.04 . 1 . . . . 36 . . . 7120 1 374 . 1 1 36 36 GLU CA C 13 58.774 0.3 . 1 . . . . 36 . . . 7120 1 375 . 1 1 36 36 GLU HA H 1 3.572 0.04 . 1 . . . . 36 . . . 7120 1 376 . 1 1 36 36 GLU CB C 13 28.962 0.3 . 1 . . . . 36 . . . 7120 1 377 . 1 1 36 36 GLU HB3 H 1 2.061 0.04 . 2 . . . . 36 . . . 7120 1 378 . 1 1 36 36 GLU HB2 H 1 1.928 0.04 . 2 . . . . 36 . . . 7120 1 379 . 1 1 36 36 GLU CG C 13 37.107 0.3 . 1 . . . . 36 . . . 7120 1 380 . 1 1 36 36 GLU HG3 H 1 2.649 0.04 . 2 . . . . 36 . . . 7120 1 381 . 1 1 36 36 GLU HG2 H 1 2.284 0.04 . 2 . . . . 36 . . . 7120 1 382 . 1 1 37 37 ASP N N 15 117.698 0.2 . 1 . . . . 37 . . . 7120 1 383 . 1 1 37 37 ASP H H 1 7.846 0.04 . 1 . . . . 37 . . . 7120 1 384 . 1 1 37 37 ASP CA C 13 54.42 0.3 . 1 . . . . 37 . . . 7120 1 385 . 1 1 37 37 ASP HA H 1 4.581 0.04 . 1 . . . . 37 . . . 7120 1 386 . 1 1 37 37 ASP CB C 13 40.594 0.3 . 1 . . . . 37 . . . 7120 1 387 . 1 1 37 37 ASP HB3 H 1 2.904 0.04 . 2 . . . . 37 . . . 7120 1 388 . 1 1 37 37 ASP HB2 H 1 2.684 0.04 . 2 . . . . 37 . . . 7120 1 389 . 1 1 38 38 PHE N N 15 112.901 0.2 . 1 . . . . 38 . . . 7120 1 390 . 1 1 38 38 PHE H H 1 7.578 0.04 . 1 . . . . 38 . . . 7120 1 391 . 1 1 38 38 PHE CA C 13 59.261 0.3 . 1 . . . . 38 . . . 7120 1 392 . 1 1 38 38 PHE HA H 1 4.445 0.04 . 1 . . . . 38 . . . 7120 1 393 . 1 1 38 38 PHE CB C 13 34.651 0.3 . 1 . . . . 38 . . . 7120 1 394 . 1 1 38 38 PHE HB3 H 1 3.365 0.04 . 2 . . . . 38 . . . 7120 1 395 . 1 1 38 38 PHE CD1 C 13 131.846 0.3 . 3 . . . . 38 . . . 7120 1 396 . 1 1 38 38 PHE HD1 H 1 7.156 0.04 . 3 . . . . 38 . . . 7120 1 397 . 1 1 38 38 PHE CE1 C 13 131.518 0.3 . 3 . . . . 38 . . . 7120 1 398 . 1 1 38 38 PHE HE1 H 1 7.297 0.04 . 3 . . . . 38 . . . 7120 1 399 . 1 1 38 38 PHE CZ C 13 129.214 0.3 . 1 . . . . 38 . . . 7120 1 400 . 1 1 38 38 PHE HZ H 1 7.246 0.04 . 1 . . . . 38 . . . 7120 1 401 . 1 1 39 39 LEU N N 15 117.428 0.2 . 1 . . . . 39 . . . 7120 1 402 . 1 1 39 39 LEU H H 1 8.056 0.04 . 1 . . . . 39 . . . 7120 1 403 . 1 1 39 39 LEU CA C 13 54.652 0.3 . 1 . . . . 39 . . . 7120 1 404 . 1 1 39 39 LEU HA H 1 4.688 0.04 . 1 . . . . 39 . . . 7120 1 405 . 1 1 39 39 LEU CB C 13 42.034 0.3 . 1 . . . . 39 . . . 7120 1 406 . 1 1 39 39 LEU HB3 H 1 1.778 0.04 . 2 . . . . 39 . . . 7120 1 407 . 1 1 39 39 LEU HB2 H 1 1.685 0.04 . 2 . . . . 39 . . . 7120 1 408 . 1 1 39 39 LEU CG C 13 26.348 0.3 . 1 . . . . 39 . . . 7120 1 409 . 1 1 39 39 LEU HG H 1 1.601 0.04 . 1 . . . . 39 . . . 7120 1 410 . 1 1 39 39 LEU CD1 C 13 26.375 0.3 . 9 . . . . 39 . . . 7120 1 411 . 1 1 39 39 LEU HD11 H 1 0.986 0.04 . 4 . . . . 39 . . . 7120 1 412 . 1 1 39 39 LEU HD12 H 1 0.986 0.04 . 4 . . . . 39 . . . 7120 1 413 . 1 1 39 39 LEU HD13 H 1 0.986 0.04 . 4 . . . . 39 . . . 7120 1 414 . 1 1 39 39 LEU CD2 C 13 22.806 0.3 . 2 . . . . 39 . . . 7120 1 415 . 1 1 39 39 LEU HD21 H 1 0.893 0.04 . 4 . . . . 39 . . . 7120 1 416 . 1 1 39 39 LEU HD22 H 1 0.893 0.04 . 4 . . . . 39 . . . 7120 1 417 . 1 1 39 39 LEU HD23 H 1 0.893 0.04 . 4 . . . . 39 . . . 7120 1 418 . 1 1 40 40 PHE N N 15 122.11 0.2 . 1 . . . . 40 . . . 7120 1 419 . 1 1 40 40 PHE H H 1 8.055 0.04 . 1 . . . . 40 . . . 7120 1 420 . 1 1 40 40 PHE CA C 13 57.471 0.3 . 9 . . . . 40 . . . 7120 1 421 . 1 1 40 40 PHE HA H 1 4.26 0.04 . 1 . . . . 40 . . . 7120 1 422 . 1 1 40 40 PHE CB C 13 39.864 0.3 . 9 . . . . 40 . . . 7120 1 423 . 1 1 40 40 PHE HB3 H 1 3.71 0.04 . 2 . . . . 40 . . . 7120 1 424 . 1 1 40 40 PHE HB2 H 1 2.534 0.04 . 2 . . . . 40 . . . 7120 1 425 . 1 1 40 40 PHE CD1 C 13 130.827 0.3 . 3 . . . . 40 . . . 7120 1 426 . 1 1 40 40 PHE HD1 H 1 7.353 0.04 . 3 . . . . 40 . . . 7120 1 427 . 1 1 40 40 PHE CE1 C 13 132.865 0.3 . 3 . . . . 40 . . . 7120 1 428 . 1 1 40 40 PHE HE1 H 1 7.584 0.04 . 3 . . . . 40 . . . 7120 1 429 . 1 1 40 40 PHE CZ C 13 128.71 0.3 . 1 . . . . 40 . . . 7120 1 430 . 1 1 40 40 PHE HZ H 1 7.032 0.04 . 1 . . . . 40 . . . 7120 1 431 . 1 1 41 41 PRO CA C 13 62.12 0.3 . 1 . . . . 41 . . . 7120 1 432 . 1 1 41 41 PRO HA H 1 4.892 0.04 . 1 . . . . 41 . . . 7120 1 433 . 1 1 41 41 PRO CB C 13 36.473 0.3 . 1 . . . . 41 . . . 7120 1 434 . 1 1 41 41 PRO HB3 H 1 2.259 0.04 . 2 . . . . 41 . . . 7120 1 435 . 1 1 41 41 PRO HB2 H 1 1.987 0.04 . 2 . . . . 41 . . . 7120 1 436 . 1 1 41 41 PRO CG C 13 24.658 0.3 . 1 . . . . 41 . . . 7120 1 437 . 1 1 41 41 PRO HG3 H 1 1.859 0.04 . 2 . . . . 41 . . . 7120 1 438 . 1 1 41 41 PRO HG2 H 1 1.793 0.04 . 2 . . . . 41 . . . 7120 1 439 . 1 1 41 41 PRO CD C 13 51.62 0.3 . 1 . . . . 41 . . . 7120 1 440 . 1 1 41 41 PRO HD3 H 1 3.624 0.04 . 9 . . . . 41 . . . 7120 1 441 . 1 1 41 41 PRO HD2 H 1 3.375 0.04 . 9 . . . . 41 . . . 7120 1 442 . 1 1 42 42 ILE N N 15 118.081 0.2 . 1 . . . . 42 . . . 7120 1 443 . 1 1 42 42 ILE H H 1 8.889 0.04 . 1 . . . . 42 . . . 7120 1 444 . 1 1 42 42 ILE CA C 13 58.921 0.3 . 1 . . . . 42 . . . 7120 1 445 . 1 1 42 42 ILE HA H 1 4.456 0.04 . 1 . . . . 42 . . . 7120 1 446 . 1 1 42 42 ILE CB C 13 41.016 0.3 . 1 . . . . 42 . . . 7120 1 447 . 1 1 42 42 ILE HB H 1 1.052 0.04 . 1 . . . . 42 . . . 7120 1 448 . 1 1 42 42 ILE CG1 C 13 26.22 0.3 . 2 . . . . 42 . . . 7120 1 449 . 1 1 42 42 ILE HG13 H 1 0.886 0.04 . 9 . . . . 42 . . . 7120 1 450 . 1 1 42 42 ILE HG12 H 1 0.458 0.04 . 9 . . . . 42 . . . 7120 1 451 . 1 1 42 42 ILE CD1 C 13 15.225 0.3 . 1 . . . . 42 . . . 7120 1 452 . 1 1 42 42 ILE HD11 H 1 0.458 0.04 . 1 . . . . 42 . . . 7120 1 453 . 1 1 42 42 ILE HD12 H 1 0.458 0.04 . 1 . . . . 42 . . . 7120 1 454 . 1 1 42 42 ILE HD13 H 1 0.458 0.04 . 1 . . . . 42 . . . 7120 1 455 . 1 1 42 42 ILE CG2 C 13 17.316 0.3 . 2 . . . . 42 . . . 7120 1 456 . 1 1 42 42 ILE HG21 H 1 0.186 0.04 . 4 . . . . 42 . . . 7120 1 457 . 1 1 42 42 ILE HG22 H 1 0.186 0.04 . 4 . . . . 42 . . . 7120 1 458 . 1 1 42 42 ILE HG23 H 1 0.186 0.04 . 4 . . . . 42 . . . 7120 1 459 . 1 1 43 43 ASP N N 15 122.781 0.2 . 1 . . . . 43 . . . 7120 1 460 . 1 1 43 43 ASP H H 1 8.268 0.04 . 1 . . . . 43 . . . 7120 1 461 . 1 1 43 43 ASP CA C 13 53.171 0.3 . 1 . . . . 43 . . . 7120 1 462 . 1 1 43 43 ASP HA H 1 4.554 0.04 . 1 . . . . 43 . . . 7120 1 463 . 1 1 43 43 ASP CB C 13 40.531 0.3 . 1 . . . . 43 . . . 7120 1 464 . 1 1 43 43 ASP HB3 H 1 2.883 0.04 . 2 . . . . 43 . . . 7120 1 465 . 1 1 43 43 ASP HB2 H 1 2.494 0.04 . 2 . . . . 43 . . . 7120 1 466 . 1 1 44 44 ILE N N 15 128.431 0.2 . 1 . . . . 44 . . . 7120 1 467 . 1 1 44 44 ILE H H 1 8.674 0.04 . 1 . . . . 44 . . . 7120 1 468 . 1 1 44 44 ILE CA C 13 63.461 0.3 . 1 . . . . 44 . . . 7120 1 469 . 1 1 44 44 ILE HA H 1 3.474 0.04 . 1 . . . . 44 . . . 7120 1 470 . 1 1 44 44 ILE CB C 13 37.032 0.3 . 1 . . . . 44 . . . 7120 1 471 . 1 1 44 44 ILE HB H 1 1.858 0.04 . 1 . . . . 44 . . . 7120 1 472 . 1 1 44 44 ILE CG1 C 13 28.809 0.3 . 2 . . . . 44 . . . 7120 1 473 . 1 1 44 44 ILE HG13 H 1 1.611 0.04 . 9 . . . . 44 . . . 7120 1 474 . 1 1 44 44 ILE HG12 H 1 1.054 0.04 . 9 . . . . 44 . . . 7120 1 475 . 1 1 44 44 ILE CD1 C 13 12.158 0.3 . 1 . . . . 44 . . . 7120 1 476 . 1 1 44 44 ILE HD11 H 1 0.673 0.04 . 1 . . . . 44 . . . 7120 1 477 . 1 1 44 44 ILE HD12 H 1 0.673 0.04 . 1 . . . . 44 . . . 7120 1 478 . 1 1 44 44 ILE HD13 H 1 0.673 0.04 . 1 . . . . 44 . . . 7120 1 479 . 1 1 44 44 ILE CG2 C 13 17.976 0.3 . 2 . . . . 44 . . . 7120 1 480 . 1 1 44 44 ILE HG21 H 1 0.873 0.04 . 4 . . . . 44 . . . 7120 1 481 . 1 1 44 44 ILE HG22 H 1 0.873 0.04 . 4 . . . . 44 . . . 7120 1 482 . 1 1 44 44 ILE HG23 H 1 0.873 0.04 . 4 . . . . 44 . . . 7120 1 483 . 1 1 45 45 SER N N 15 117.517 0.2 . 1 . . . . 45 . . . 7120 1 484 . 1 1 45 45 SER H H 1 8.346 0.04 . 1 . . . . 45 . . . 7120 1 485 . 1 1 45 45 SER CA C 13 62.185 0.3 . 1 . . . . 45 . . . 7120 1 486 . 1 1 45 45 SER HA H 1 4.028 0.04 . 1 . . . . 45 . . . 7120 1 487 . 1 1 45 45 SER CB C 13 62.185 0.3 . 1 . . . . 45 . . . 7120 1 488 . 1 1 45 45 SER HB3 H 1 3.925 0.04 . 2 . . . . 45 . . . 7120 1 489 . 1 1 46 46 LEU N N 15 123.396 0.2 . 1 . . . . 46 . . . 7120 1 490 . 1 1 46 46 LEU H H 1 7.226 0.04 . 1 . . . . 46 . . . 7120 1 491 . 1 1 46 46 LEU CA C 13 57.422 0.3 . 1 . . . . 46 . . . 7120 1 492 . 1 1 46 46 LEU HA H 1 4.077 0.04 . 1 . . . . 46 . . . 7120 1 493 . 1 1 46 46 LEU CB C 13 41.263 0.3 . 1 . . . . 46 . . . 7120 1 494 . 1 1 46 46 LEU HB3 H 1 1.753 0.04 . 2 . . . . 46 . . . 7120 1 495 . 1 1 46 46 LEU HB2 H 1 1.68 0.04 . 2 . . . . 46 . . . 7120 1 496 . 1 1 46 46 LEU CG C 13 26.907 0.3 . 1 . . . . 46 . . . 7120 1 497 . 1 1 46 46 LEU HG H 1 1.547 0.04 . 1 . . . . 46 . . . 7120 1 498 . 1 1 46 46 LEU CD1 C 13 23.676 0.3 . 2 . . . . 46 . . . 7120 1 499 . 1 1 46 46 LEU HD11 H 1 0.839 0.04 . 4 . . . . 46 . . . 7120 1 500 . 1 1 46 46 LEU HD12 H 1 0.839 0.04 . 4 . . . . 46 . . . 7120 1 501 . 1 1 46 46 LEU HD13 H 1 0.839 0.04 . 4 . . . . 46 . . . 7120 1 502 . 1 1 46 46 LEU CD2 C 13 24.592 0.3 . 2 . . . . 46 . . . 7120 1 503 . 1 1 46 46 LEU HD21 H 1 0.925 0.04 . 4 . . . . 46 . . . 7120 1 504 . 1 1 46 46 LEU HD22 H 1 0.925 0.04 . 4 . . . . 46 . . . 7120 1 505 . 1 1 46 46 LEU HD23 H 1 0.925 0.04 . 4 . . . . 46 . . . 7120 1 506 . 1 1 47 47 VAL N N 15 120.444 0.2 . 1 . . . . 47 . . . 7120 1 507 . 1 1 47 47 VAL H H 1 7.212 0.04 . 1 . . . . 47 . . . 7120 1 508 . 1 1 47 47 VAL CA C 13 66.399 0.3 . 1 . . . . 47 . . . 7120 1 509 . 1 1 47 47 VAL HA H 1 3.688 0.04 . 1 . . . . 47 . . . 7120 1 510 . 1 1 47 47 VAL CB C 13 31.361 0.3 . 1 . . . . 47 . . . 7120 1 511 . 1 1 47 47 VAL HB H 1 2.105 0.04 . 1 . . . . 47 . . . 7120 1 512 . 1 1 47 47 VAL CG2 C 13 21.803 0.3 . 2 . . . . 47 . . . 7120 1 513 . 1 1 47 47 VAL HG21 H 1 0.839 0.04 . 4 . . . . 47 . . . 7120 1 514 . 1 1 47 47 VAL HG22 H 1 0.839 0.04 . 4 . . . . 47 . . . 7120 1 515 . 1 1 47 47 VAL HG23 H 1 0.839 0.04 . 4 . . . . 47 . . . 7120 1 516 . 1 1 47 47 VAL CG1 C 13 20.865 0.3 . 2 . . . . 47 . . . 7120 1 517 . 1 1 47 47 VAL HG11 H 1 0.635 0.04 . 4 . . . . 47 . . . 7120 1 518 . 1 1 47 47 VAL HG12 H 1 0.635 0.04 . 4 . . . . 47 . . . 7120 1 519 . 1 1 47 47 VAL HG13 H 1 0.635 0.04 . 4 . . . . 47 . . . 7120 1 520 . 1 1 48 48 LYS N N 15 117.71 0.2 . 1 . . . . 48 . . . 7120 1 521 . 1 1 48 48 LYS H H 1 8.153 0.04 . 1 . . . . 48 . . . 7120 1 522 . 1 1 48 48 LYS CA C 13 60.68 0.3 . 1 . . . . 48 . . . 7120 1 523 . 1 1 48 48 LYS HA H 1 3.606 0.04 . 1 . . . . 48 . . . 7120 1 524 . 1 1 48 48 LYS CB C 13 32.363 0.3 . 1 . . . . 48 . . . 7120 1 525 . 1 1 48 48 LYS HB3 H 1 1.752 0.04 . 2 . . . . 48 . . . 7120 1 526 . 1 1 48 48 LYS CG C 13 26.564 0.3 . 1 . . . . 48 . . . 7120 1 527 . 1 1 48 48 LYS HG3 H 1 1.044 0.04 . 2 . . . . 48 . . . 7120 1 528 . 1 1 48 48 LYS HG2 H 1 1.57 0.04 . 2 . . . . 48 . . . 7120 1 529 . 1 1 48 48 LYS CD C 13 29.825 0.3 . 1 . . . . 48 . . . 7120 1 530 . 1 1 48 48 LYS HD3 H 1 1.571 0.04 . 2 . . . . 48 . . . 7120 1 531 . 1 1 48 48 LYS CE C 13 42.122 0.3 . 1 . . . . 48 . . . 7120 1 532 . 1 1 48 48 LYS HE3 H 1 2.837 0.04 . 2 . . . . 48 . . . 7120 1 533 . 1 1 48 48 LYS HE2 H 1 2.802 0.04 . 2 . . . . 48 . . . 7120 1 534 . 1 1 49 49 ARG N N 15 117.465 0.2 . 1 . . . . 49 . . . 7120 1 535 . 1 1 49 49 ARG H H 1 7.296 0.04 . 1 . . . . 49 . . . 7120 1 536 . 1 1 49 49 ARG CA C 13 58.705 0.3 . 1 . . . . 49 . . . 7120 1 537 . 1 1 49 49 ARG HA H 1 4.1 0.04 . 1 . . . . 49 . . . 7120 1 538 . 1 1 49 49 ARG CB C 13 30.281 0.3 . 1 . . . . 49 . . . 7120 1 539 . 1 1 49 49 ARG HB3 H 1 1.927 0.04 . 2 . . . . 49 . . . 7120 1 540 . 1 1 49 49 ARG CG C 13 27.244 0.3 . 1 . . . . 49 . . . 7120 1 541 . 1 1 49 49 ARG HG3 H 1 1.774 0.04 . 2 . . . . 49 . . . 7120 1 542 . 1 1 49 49 ARG HG2 H 1 1.655 0.04 . 2 . . . . 49 . . . 7120 1 543 . 1 1 49 49 ARG CD C 13 43.467 0.3 . 1 . . . . 49 . . . 7120 1 544 . 1 1 49 49 ARG HD3 H 1 3.19 0.04 . 2 . . . . 49 . . . 7120 1 545 . 1 1 50 50 GLU N N 15 118.005 0.2 . 1 . . . . 50 . . . 7120 1 546 . 1 1 50 50 GLU H H 1 7.951 0.04 . 1 . . . . 50 . . . 7120 1 547 . 1 1 50 50 GLU CA C 13 58.014 0.3 . 1 . . . . 50 . . . 7120 1 548 . 1 1 50 50 GLU HA H 1 4.055 0.04 . 1 . . . . 50 . . . 7120 1 549 . 1 1 50 50 GLU CB C 13 29.784 0.3 . 1 . . . . 50 . . . 7120 1 550 . 1 1 50 50 GLU HB3 H 1 2.02 0.04 . 2 . . . . 50 . . . 7120 1 551 . 1 1 50 50 GLU HB2 H 1 1.842 0.04 . 2 . . . . 50 . . . 7120 1 552 . 1 1 50 50 GLU CG C 13 36.301 0.3 . 1 . . . . 50 . . . 7120 1 553 . 1 1 50 50 GLU HG3 H 1 2.298 0.04 . 2 . . . . 50 . . . 7120 1 554 . 1 1 50 50 GLU HG2 H 1 2.025 0.04 . 9 . . . . 50 . . . 7120 1 555 . 1 1 51 51 HIS N N 15 116.705 0.2 . 1 . . . . 51 . . . 7120 1 556 . 1 1 51 51 HIS H H 1 7.482 0.04 . 1 . . . . 51 . . . 7120 1 557 . 1 1 51 51 HIS CA C 13 55.119 0.3 . 1 . . . . 51 . . . 7120 1 558 . 1 1 51 51 HIS HA H 1 4.505 0.04 . 1 . . . . 51 . . . 7120 1 559 . 1 1 51 51 HIS CB C 13 28.042 0.3 . 1 . . . . 51 . . . 7120 1 560 . 1 1 51 51 HIS HB3 H 1 3.131 0.04 . 2 . . . . 51 . . . 7120 1 561 . 1 1 51 51 HIS HB2 H 1 2.484 0.04 . 2 . . . . 51 . . . 7120 1 562 . 1 1 51 51 HIS CD2 C 13 125.2 0.3 . 1 . . . . 51 . . . 7120 1 563 . 1 1 51 51 HIS HD2 H 1 7.17 0.04 . 1 . . . . 51 . . . 7120 1 564 . 1 1 51 51 HIS HE1 H 1 8.205 0.04 . 1 . . . . 51 . . . 7120 1 565 . 1 1 52 52 ASP N N 15 119.009 0.2 . 1 . . . . 52 . . . 7120 1 566 . 1 1 52 52 ASP H H 1 7.372 0.04 . 1 . . . . 52 . . . 7120 1 567 . 1 1 52 52 ASP CA C 13 56.326 0.3 . 1 . . . . 52 . . . 7120 1 568 . 1 1 52 52 ASP HA H 1 4.228 0.04 . 1 . . . . 52 . . . 7120 1 569 . 1 1 52 52 ASP CB C 13 40.165 0.3 . 1 . . . . 52 . . . 7120 1 570 . 1 1 52 52 ASP HB3 H 1 2.86 0.04 . 2 . . . . 52 . . . 7120 1 571 . 1 1 52 52 ASP HB2 H 1 2.804 0.04 . 2 . . . . 52 . . . 7120 1 572 . 1 1 53 53 PHE N N 15 113.755 0.2 . 1 . . . . 53 . . . 7120 1 573 . 1 1 53 53 PHE H H 1 6.998 0.04 . 1 . . . . 53 . . . 7120 1 574 . 1 1 53 53 PHE CA C 13 55.848 0.3 . 1 . . . . 53 . . . 7120 1 575 . 1 1 53 53 PHE HA H 1 4.616 0.04 . 1 . . . . 53 . . . 7120 1 576 . 1 1 53 53 PHE CB C 13 38.272 0.3 . 1 . . . . 53 . . . 7120 1 577 . 1 1 53 53 PHE HB3 H 1 3.363 0.04 . 2 . . . . 53 . . . 7120 1 578 . 1 1 53 53 PHE HB2 H 1 3.069 0.04 . 2 . . . . 53 . . . 7120 1 579 . 1 1 53 53 PHE CD1 C 13 132.051 0.3 . 3 . . . . 53 . . . 7120 1 580 . 1 1 53 53 PHE HD1 H 1 7.275 0.04 . 3 . . . . 53 . . . 7120 1 581 . 1 1 53 53 PHE CE1 C 13 132.066 0.3 . 3 . . . . 53 . . . 7120 1 582 . 1 1 53 53 PHE HE1 H 1 7.575 0.04 . 3 . . . . 53 . . . 7120 1 583 . 1 1 53 53 PHE CZ C 13 130.753 0.3 . 1 . . . . 53 . . . 7120 1 584 . 1 1 53 53 PHE HZ H 1 7.546 0.04 . 1 . . . . 53 . . . 7120 1 585 . 1 1 54 54 LEU N N 15 123.74 0.2 . 1 . . . . 54 . . . 7120 1 586 . 1 1 54 54 LEU H H 1 7.301 0.04 . 1 . . . . 54 . . . 7120 1 587 . 1 1 54 54 LEU CA C 13 54.41 0.3 . 1 . . . . 54 . . . 7120 1 588 . 1 1 54 54 LEU HA H 1 4.414 0.04 . 1 . . . . 54 . . . 7120 1 589 . 1 1 54 54 LEU CB C 13 42.934 0.3 . 1 . . . . 54 . . . 7120 1 590 . 1 1 54 54 LEU HB3 H 1 1.879 0.04 . 2 . . . . 54 . . . 7120 1 591 . 1 1 54 54 LEU HB2 H 1 1.537 0.04 . 2 . . . . 54 . . . 7120 1 592 . 1 1 54 54 LEU CG C 13 26.614 0.3 . 1 . . . . 54 . . . 7120 1 593 . 1 1 54 54 LEU HG H 1 1.424 0.04 . 1 . . . . 54 . . . 7120 1 594 . 1 1 54 54 LEU CD1 C 13 22.768 0.3 . 2 . . . . 54 . . . 7120 1 595 . 1 1 54 54 LEU HD11 H 1 1.061 0.04 . 4 . . . . 54 . . . 7120 1 596 . 1 1 54 54 LEU HD12 H 1 1.061 0.04 . 4 . . . . 54 . . . 7120 1 597 . 1 1 54 54 LEU HD13 H 1 1.061 0.04 . 4 . . . . 54 . . . 7120 1 598 . 1 1 54 54 LEU CD2 C 13 25.746 0.3 . 2 . . . . 54 . . . 7120 1 599 . 1 1 54 54 LEU HD21 H 1 0.955 0.04 . 4 . . . . 54 . . . 7120 1 600 . 1 1 54 54 LEU HD22 H 1 0.955 0.04 . 4 . . . . 54 . . . 7120 1 601 . 1 1 54 54 LEU HD23 H 1 0.955 0.04 . 4 . . . . 54 . . . 7120 1 602 . 1 1 55 55 ASP N N 15 119.444 0.2 . 1 . . . . 55 . . . 7120 1 603 . 1 1 55 55 ASP H H 1 8.35 0.04 . 1 . . . . 55 . . . 7120 1 604 . 1 1 55 55 ASP CA C 13 53.436 0.3 . 1 . . . . 55 . . . 7120 1 605 . 1 1 55 55 ASP HA H 1 4.552 0.04 . 1 . . . . 55 . . . 7120 1 606 . 1 1 55 55 ASP CB C 13 41.644 0.3 . 1 . . . . 55 . . . 7120 1 607 . 1 1 55 55 ASP HB3 H 1 3.021 0.04 . 2 . . . . 55 . . . 7120 1 608 . 1 1 55 55 ASP HB2 H 1 2.792 0.04 . 2 . . . . 55 . . . 7120 1 609 . 1 1 56 56 ARG N N 15 119.45 0.2 . 1 . . . . 56 . . . 7120 1 610 . 1 1 56 56 ARG H H 1 8.52 0.04 . 1 . . . . 56 . . . 7120 1 611 . 1 1 56 56 ARG CA C 13 59.597 0.3 . 1 . . . . 56 . . . 7120 1 612 . 1 1 56 56 ARG HA H 1 3.945 0.04 . 1 . . . . 56 . . . 7120 1 613 . 1 1 56 56 ARG CB C 13 30.01 0.3 . 1 . . . . 56 . . . 7120 1 614 . 1 1 56 56 ARG HB3 H 1 1.908 0.04 . 2 . . . . 56 . . . 7120 1 615 . 1 1 56 56 ARG HB2 H 1 1.817 0.04 . 2 . . . . 56 . . . 7120 1 616 . 1 1 56 56 ARG CG C 13 26.6 0.3 . 1 . . . . 56 . . . 7120 1 617 . 1 1 56 56 ARG HG3 H 1 1.733 0.04 . 2 . . . . 56 . . . 7120 1 618 . 1 1 56 56 ARG HG2 H 1 1.604 0.04 . 2 . . . . 56 . . . 7120 1 619 . 1 1 56 56 ARG CD C 13 43.22 0.3 . 1 . . . . 56 . . . 7120 1 620 . 1 1 56 56 ARG HD3 H 1 3.18 0.04 . 2 . . . . 56 . . . 7120 1 621 . 1 1 57 57 ASP N N 15 118.282 0.2 . 1 . . . . 57 . . . 7120 1 622 . 1 1 57 57 ASP H H 1 8.426 0.04 . 1 . . . . 57 . . . 7120 1 623 . 1 1 57 57 ASP CA C 13 57.397 0.3 . 1 . . . . 57 . . . 7120 1 624 . 1 1 57 57 ASP HA H 1 4.384 0.04 . 1 . . . . 57 . . . 7120 1 625 . 1 1 57 57 ASP CB C 13 40.099 0.3 . 1 . . . . 57 . . . 7120 1 626 . 1 1 57 57 ASP HB3 H 1 2.684 0.04 . 2 . . . . 57 . . . 7120 1 627 . 1 1 57 57 ASP HB2 H 1 2.546 0.04 . 2 . . . . 57 . . . 7120 1 628 . 1 1 58 58 ALA N N 15 125.171 0.2 . 1 . . . . 58 . . . 7120 1 629 . 1 1 58 58 ALA H H 1 8.099 0.04 . 1 . . . . 58 . . . 7120 1 630 . 1 1 58 58 ALA CA C 13 55.013 0.3 . 1 . . . . 58 . . . 7120 1 631 . 1 1 58 58 ALA HA H 1 4.377 0.04 . 1 . . . . 58 . . . 7120 1 632 . 1 1 58 58 ALA CB C 13 19.324 0.3 . 1 . . . . 58 . . . 7120 1 633 . 1 1 58 58 ALA HB1 H 1 1.695 0.04 . 1 . . . . 58 . . . 7120 1 634 . 1 1 58 58 ALA HB2 H 1 1.695 0.04 . 1 . . . . 58 . . . 7120 1 635 . 1 1 58 58 ALA HB3 H 1 1.695 0.04 . 1 . . . . 58 . . . 7120 1 636 . 1 1 59 59 ILE N N 15 119.576 0.2 . 1 . . . . 59 . . . 7120 1 637 . 1 1 59 59 ILE H H 1 8.5 0.04 . 1 . . . . 59 . . . 7120 1 638 . 1 1 59 59 ILE CA C 13 62.822 0.3 . 1 . . . . 59 . . . 7120 1 639 . 1 1 59 59 ILE HA H 1 3.888 0.04 . 1 . . . . 59 . . . 7120 1 640 . 1 1 59 59 ILE CB C 13 37.519 0.3 . 1 . . . . 59 . . . 7120 1 641 . 1 1 59 59 ILE HB H 1 1.913 0.04 . 1 . . . . 59 . . . 7120 1 642 . 1 1 59 59 ILE CG1 C 13 29.523 0.3 . 2 . . . . 59 . . . 7120 1 643 . 1 1 59 59 ILE HG13 H 1 1.413 0.04 . 9 . . . . 59 . . . 7120 1 644 . 1 1 59 59 ILE HG12 H 1 1.222 0.04 . 9 . . . . 59 . . . 7120 1 645 . 1 1 59 59 ILE CD1 C 13 13.532 0.3 . 1 . . . . 59 . . . 7120 1 646 . 1 1 59 59 ILE HD11 H 1 0.807 0.04 . 1 . . . . 59 . . . 7120 1 647 . 1 1 59 59 ILE HD12 H 1 0.807 0.04 . 1 . . . . 59 . . . 7120 1 648 . 1 1 59 59 ILE HD13 H 1 0.807 0.04 . 1 . . . . 59 . . . 7120 1 649 . 1 1 59 59 ILE CG2 C 13 18.549 0.3 . 2 . . . . 59 . . . 7120 1 650 . 1 1 59 59 ILE HG21 H 1 0.956 0.04 . 4 . . . . 59 . . . 7120 1 651 . 1 1 59 59 ILE HG22 H 1 0.956 0.04 . 4 . . . . 59 . . . 7120 1 652 . 1 1 59 59 ILE HG23 H 1 0.956 0.04 . 4 . . . . 59 . . . 7120 1 653 . 1 1 60 60 GLU N N 15 122.717 0.2 . 1 . . . . 60 . . . 7120 1 654 . 1 1 60 60 GLU H H 1 8.143 0.04 . 1 . . . . 60 . . . 7120 1 655 . 1 1 60 60 GLU CA C 13 59.569 0.3 . 1 . . . . 60 . . . 7120 1 656 . 1 1 60 60 GLU HA H 1 3.91 0.04 . 1 . . . . 60 . . . 7120 1 657 . 1 1 60 60 GLU CB C 13 28.76 0.3 . 1 . . . . 60 . . . 7120 1 658 . 1 1 60 60 GLU HB3 H 1 2.08 0.04 . 2 . . . . 60 . . . 7120 1 659 . 1 1 60 60 GLU HB2 H 1 2.009 0.04 . 2 . . . . 60 . . . 7120 1 660 . 1 1 60 60 GLU CG C 13 36.294 0.3 . 1 . . . . 60 . . . 7120 1 661 . 1 1 60 60 GLU HG3 H 1 2.384 0.04 . 2 . . . . 60 . . . 7120 1 662 . 1 1 60 60 GLU HG2 H 1 2.275 0.04 . 2 . . . . 60 . . . 7120 1 663 . 1 1 61 61 ALA N N 15 122.169 0.2 . 1 . . . . 61 . . . 7120 1 664 . 1 1 61 61 ALA H H 1 7.912 0.04 . 1 . . . . 61 . . . 7120 1 665 . 1 1 61 61 ALA CA C 13 55.498 0.3 . 1 . . . . 61 . . . 7120 1 666 . 1 1 61 61 ALA HA H 1 3.723 0.04 . 1 . . . . 61 . . . 7120 1 667 . 1 1 61 61 ALA CB C 13 18.3 0.3 . 1 . . . . 61 . . . 7120 1 668 . 1 1 61 61 ALA HB1 H 1 1.58 0.04 . 1 . . . . 61 . . . 7120 1 669 . 1 1 61 61 ALA HB2 H 1 1.58 0.04 . 1 . . . . 61 . . . 7120 1 670 . 1 1 61 61 ALA HB3 H 1 1.58 0.04 . 1 . . . . 61 . . . 7120 1 671 . 1 1 62 62 LEU N N 15 118.571 0.2 . 1 . . . . 62 . . . 7120 1 672 . 1 1 62 62 LEU H H 1 7.634 0.04 . 1 . . . . 62 . . . 7120 1 673 . 1 1 62 62 LEU CA C 13 57.961 0.3 . 1 . . . . 62 . . . 7120 1 674 . 1 1 62 62 LEU HA H 1 4.06 0.04 . 1 . . . . 62 . . . 7120 1 675 . 1 1 62 62 LEU CB C 13 41.344 0.3 . 1 . . . . 62 . . . 7120 1 676 . 1 1 62 62 LEU HB3 H 1 1.802 0.04 . 2 . . . . 62 . . . 7120 1 677 . 1 1 62 62 LEU HB2 H 1 1.189 0.04 . 2 . . . . 62 . . . 7120 1 678 . 1 1 62 62 LEU CG C 13 26.704 0.3 . 1 . . . . 62 . . . 7120 1 679 . 1 1 62 62 LEU HG H 1 0.879 0.04 . 1 . . . . 62 . . . 7120 1 680 . 1 1 62 62 LEU CD1 C 13 21.901 0.3 . 2 . . . . 62 . . . 7120 1 681 . 1 1 62 62 LEU HD11 H 1 0.02 0.04 . 4 . . . . 62 . . . 7120 1 682 . 1 1 62 62 LEU HD12 H 1 0.02 0.04 . 4 . . . . 62 . . . 7120 1 683 . 1 1 62 62 LEU HD13 H 1 0.02 0.04 . 4 . . . . 62 . . . 7120 1 684 . 1 1 62 62 LEU CD2 C 13 24.412 0.3 . 2 . . . . 62 . . . 7120 1 685 . 1 1 62 62 LEU HD21 H 1 -0.15 0.04 . 4 . . . . 62 . . . 7120 1 686 . 1 1 62 62 LEU HD22 H 1 -0.15 0.04 . 4 . . . . 62 . . . 7120 1 687 . 1 1 62 62 LEU HD23 H 1 -0.15 0.04 . 4 . . . . 62 . . . 7120 1 688 . 1 1 63 63 CYS N N 15 115.789 0.2 . 1 . . . . 63 . . . 7120 1 689 . 1 1 63 63 CYS H H 1 8.508 0.04 . 1 . . . . 63 . . . 7120 1 690 . 1 1 63 63 CYS CA C 13 64.978 0.3 . 1 . . . . 63 . . . 7120 1 691 . 1 1 63 63 CYS HA H 1 3.693 0.04 . 1 . . . . 63 . . . 7120 1 692 . 1 1 63 63 CYS CB C 13 26.227 0.3 . 1 . . . . 63 . . . 7120 1 693 . 1 1 63 63 CYS HB3 H 1 2.933 0.04 . 2 . . . . 63 . . . 7120 1 694 . 1 1 63 63 CYS HB2 H 1 2.631 0.04 . 2 . . . . 63 . . . 7120 1 695 . 1 1 64 64 ARG N N 15 119.978 0.2 . 1 . . . . 64 . . . 7120 1 696 . 1 1 64 64 ARG H H 1 7.975 0.04 . 1 . . . . 64 . . . 7120 1 697 . 1 1 64 64 ARG CA C 13 59.839 0.3 . 1 . . . . 64 . . . 7120 1 698 . 1 1 64 64 ARG HA H 1 3.971 0.04 . 1 . . . . 64 . . . 7120 1 699 . 1 1 64 64 ARG CB C 13 29.766 0.3 . 1 . . . . 64 . . . 7120 1 700 . 1 1 64 64 ARG HB3 H 1 1.645 0.04 . 2 . . . . 64 . . . 7120 1 701 . 1 1 64 64 ARG CG C 13 27.358 0.3 . 1 . . . . 64 . . . 7120 1 702 . 1 1 64 64 ARG HG3 H 1 1.782 0.04 . 2 . . . . 64 . . . 7120 1 703 . 1 1 64 64 ARG HG2 H 1 1.386 0.04 . 2 . . . . 64 . . . 7120 1 704 . 1 1 64 64 ARG CD C 13 43.673 0.3 . 1 . . . . 64 . . . 7120 1 705 . 1 1 64 64 ARG HD3 H 1 2.946 0.04 . 2 . . . . 64 . . . 7120 1 706 . 1 1 64 64 ARG HD2 H 1 3.028 0.04 . 2 . . . . 64 . . . 7120 1 707 . 1 1 65 65 ARG N N 15 120.079 0.2 . 1 . . . . 65 . . . 7120 1 708 . 1 1 65 65 ARG H H 1 6.688 0.04 . 1 . . . . 65 . . . 7120 1 709 . 1 1 65 65 ARG CA C 13 60.834 0.3 . 1 . . . . 65 . . . 7120 1 710 . 1 1 65 65 ARG HA H 1 4.1 0.04 . 1 . . . . 65 . . . 7120 1 711 . 1 1 65 65 ARG CB C 13 30.059 0.3 . 1 . . . . 65 . . . 7120 1 712 . 1 1 65 65 ARG HB3 H 1 1.71 0.04 . 2 . . . . 65 . . . 7120 1 713 . 1 1 65 65 ARG HB2 H 1 1.521 0.04 . 2 . . . . 65 . . . 7120 1 714 . 1 1 65 65 ARG CD C 13 43.238 0.3 . 1 . . . . 65 . . . 7120 1 715 . 1 1 65 65 ARG HD3 H 1 2.478 0.04 . 9 . . . . 65 . . . 7120 1 716 . 1 1 66 66 LEU N N 15 117.222 0.2 . 1 . . . . 66 . . . 7120 1 717 . 1 1 66 66 LEU H H 1 7.833 0.04 . 1 . . . . 66 . . . 7120 1 718 . 1 1 66 66 LEU CA C 13 57.836 0.3 . 1 . . . . 66 . . . 7120 1 719 . 1 1 66 66 LEU HA H 1 4.014 0.04 . 1 . . . . 66 . . . 7120 1 720 . 1 1 66 66 LEU CB C 13 40.815 0.3 . 1 . . . . 66 . . . 7120 1 721 . 1 1 66 66 LEU HB3 H 1 1.693 0.04 . 2 . . . . 66 . . . 7120 1 722 . 1 1 66 66 LEU HB2 H 1 1.156 0.04 . 2 . . . . 66 . . . 7120 1 723 . 1 1 66 66 LEU CG C 13 25.539 0.3 . 1 . . . . 66 . . . 7120 1 724 . 1 1 66 66 LEU HG H 1 1.693 0.04 . 1 . . . . 66 . . . 7120 1 725 . 1 1 66 66 LEU CD1 C 13 22.554 0.3 . 2 . . . . 66 . . . 7120 1 726 . 1 1 66 66 LEU HD11 H 1 0.663 0.04 . 4 . . . . 66 . . . 7120 1 727 . 1 1 66 66 LEU HD12 H 1 0.663 0.04 . 4 . . . . 66 . . . 7120 1 728 . 1 1 66 66 LEU HD13 H 1 0.663 0.04 . 4 . . . . 66 . . . 7120 1 729 . 1 1 66 66 LEU CD2 C 13 27.021 0.3 . 2 . . . . 66 . . . 7120 1 730 . 1 1 66 66 LEU HD21 H 1 0.362 0.04 . 4 . . . . 66 . . . 7120 1 731 . 1 1 66 66 LEU HD22 H 1 0.362 0.04 . 4 . . . . 66 . . . 7120 1 732 . 1 1 66 66 LEU HD23 H 1 0.362 0.04 . 4 . . . . 66 . . . 7120 1 733 . 1 1 67 67 ASN N N 15 118.308 0.2 . 1 . . . . 67 . . . 7120 1 734 . 1 1 67 67 ASN H H 1 8.765 0.04 . 1 . . . . 67 . . . 7120 1 735 . 1 1 67 67 ASN CA C 13 56.717 0.3 . 1 . . . . 67 . . . 7120 1 736 . 1 1 67 67 ASN HA H 1 4.42 0.04 . 1 . . . . 67 . . . 7120 1 737 . 1 1 67 67 ASN CB C 13 38.386 0.3 . 1 . . . . 67 . . . 7120 1 738 . 1 1 67 67 ASN HB3 H 1 2.828 0.04 . 2 . . . . 67 . . . 7120 1 739 . 1 1 67 67 ASN HB2 H 1 2.715 0.04 . 2 . . . . 67 . . . 7120 1 740 . 1 1 67 67 ASN ND2 N 15 113.5 0.2 . 1 . . . . 67 . . . 7120 1 741 . 1 1 67 67 ASN HD21 H 1 7.546 0.04 . 2 . . . . 67 . . . 7120 1 742 . 1 1 67 67 ASN HD22 H 1 6.906 0.04 . 2 . . . . 67 . . . 7120 1 743 . 1 1 68 68 THR N N 15 118.866 0.2 . 1 . . . . 68 . . . 7120 1 744 . 1 1 68 68 THR H H 1 7.727 0.04 . 1 . . . . 68 . . . 7120 1 745 . 1 1 68 68 THR CA C 13 67.259 0.3 . 1 . . . . 68 . . . 7120 1 746 . 1 1 68 68 THR HA H 1 3.81 0.04 . 1 . . . . 68 . . . 7120 1 747 . 1 1 68 68 THR CB C 13 68.703 0.3 . 1 . . . . 68 . . . 7120 1 748 . 1 1 68 68 THR HB H 1 4.233 0.04 . 1 . . . . 68 . . . 7120 1 749 . 1 1 68 68 THR CG2 C 13 21.797 0.3 . 1 . . . . 68 . . . 7120 1 750 . 1 1 68 68 THR HG21 H 1 1.008 0.04 . 1 . . . . 68 . . . 7120 1 751 . 1 1 68 68 THR HG22 H 1 1.008 0.04 . 1 . . . . 68 . . . 7120 1 752 . 1 1 68 68 THR HG23 H 1 1.008 0.04 . 1 . . . . 68 . . . 7120 1 753 . 1 1 69 69 LEU N N 15 121.286 0.2 . 1 . . . . 69 . . . 7120 1 754 . 1 1 69 69 LEU H H 1 7.695 0.04 . 1 . . . . 69 . . . 7120 1 755 . 1 1 69 69 LEU CA C 13 57.877 0.3 . 1 . . . . 69 . . . 7120 1 756 . 1 1 69 69 LEU HA H 1 3.605 0.04 . 1 . . . . 69 . . . 7120 1 757 . 1 1 69 69 LEU CB C 13 40.997 0.3 . 1 . . . . 69 . . . 7120 1 758 . 1 1 69 69 LEU HB3 H 1 1.704 0.04 . 2 . . . . 69 . . . 7120 1 759 . 1 1 69 69 LEU HB2 H 1 0.634 0.04 . 2 . . . . 69 . . . 7120 1 760 . 1 1 69 69 LEU CG C 13 26.198 0.3 . 1 . . . . 69 . . . 7120 1 761 . 1 1 69 69 LEU HG H 1 1.423 0.04 . 1 . . . . 69 . . . 7120 1 762 . 1 1 69 69 LEU CD1 C 13 20.815 0.3 . 2 . . . . 69 . . . 7120 1 763 . 1 1 69 69 LEU HD11 H 1 -0.235 0.04 . 4 . . . . 69 . . . 7120 1 764 . 1 1 69 69 LEU HD12 H 1 -0.235 0.04 . 4 . . . . 69 . . . 7120 1 765 . 1 1 69 69 LEU HD13 H 1 -0.235 0.04 . 4 . . . . 69 . . . 7120 1 766 . 1 1 69 69 LEU CD2 C 13 26.198 0.3 . 2 . . . . 69 . . . 7120 1 767 . 1 1 69 69 LEU HD21 H 1 0.225 0.04 . 4 . . . . 69 . . . 7120 1 768 . 1 1 69 69 LEU HD22 H 1 0.225 0.04 . 4 . . . . 69 . . . 7120 1 769 . 1 1 69 69 LEU HD23 H 1 0.225 0.04 . 4 . . . . 69 . . . 7120 1 770 . 1 1 70 70 ASN N N 15 120.322 0.2 . 1 . . . . 70 . . . 7120 1 771 . 1 1 70 70 ASN H H 1 8.889 0.04 . 1 . . . . 70 . . . 7120 1 772 . 1 1 70 70 ASN CA C 13 56.35 0.3 . 1 . . . . 70 . . . 7120 1 773 . 1 1 70 70 ASN HA H 1 4.715 0.04 . 1 . . . . 70 . . . 7120 1 774 . 1 1 70 70 ASN CB C 13 37.173 0.3 . 1 . . . . 70 . . . 7120 1 775 . 1 1 70 70 ASN HB3 H 1 3.241 0.04 . 2 . . . . 70 . . . 7120 1 776 . 1 1 70 70 ASN HB2 H 1 2.899 0.04 . 2 . . . . 70 . . . 7120 1 777 . 1 1 70 70 ASN ND2 N 15 104.795 0.2 . 1 . . . . 70 . . . 7120 1 778 . 1 1 70 70 ASN HD21 H 1 7.734 0.04 . 2 . . . . 70 . . . 7120 1 779 . 1 1 70 70 ASN HD22 H 1 7.064 0.04 . 2 . . . . 70 . . . 7120 1 780 . 1 1 71 71 LYS N N 15 119.896 0.2 . 1 . . . . 71 . . . 7120 1 781 . 1 1 71 71 LYS H H 1 7.741 0.04 . 1 . . . . 71 . . . 7120 1 782 . 1 1 71 71 LYS CA C 13 59.259 0.3 . 1 . . . . 71 . . . 7120 1 783 . 1 1 71 71 LYS HA H 1 4.102 0.04 . 1 . . . . 71 . . . 7120 1 784 . 1 1 71 71 LYS CB C 13 31.911 0.3 . 1 . . . . 71 . . . 7120 1 785 . 1 1 71 71 LYS HB3 H 1 2.049 0.04 . 9 . . . . 71 . . . 7120 1 786 . 1 1 71 71 LYS HB2 H 1 1.994 0.04 . 9 . . . . 71 . . . 7120 1 787 . 1 1 71 71 LYS CG C 13 25.067 0.3 . 1 . . . . 71 . . . 7120 1 788 . 1 1 71 71 LYS HG3 H 1 1.387 0.04 . 2 . . . . 71 . . . 7120 1 789 . 1 1 71 71 LYS HG2 H 1 1.641 0.04 . 9 . . . . 71 . . . 7120 1 790 . 1 1 71 71 LYS CD C 13 29.229 0.3 . 1 . . . . 71 . . . 7120 1 791 . 1 1 71 71 LYS HD3 H 1 1.646 0.04 . 2 . . . . 71 . . . 7120 1 792 . 1 1 71 71 LYS CE C 13 42.014 0.3 . 1 . . . . 71 . . . 7120 1 793 . 1 1 71 71 LYS HE3 H 1 2.94 0.04 . 2 . . . . 71 . . . 7120 1 794 . 1 1 72 72 CYS N N 15 117.625 0.2 . 1 . . . . 72 . . . 7120 1 795 . 1 1 72 72 CYS H H 1 8.29 0.04 . 1 . . . . 72 . . . 7120 1 796 . 1 1 72 72 CYS CA C 13 63.146 0.3 . 1 . . . . 72 . . . 7120 1 797 . 1 1 72 72 CYS HA H 1 4.144 0.04 . 1 . . . . 72 . . . 7120 1 798 . 1 1 72 72 CYS CB C 13 27.416 0.3 . 1 . . . . 72 . . . 7120 1 799 . 1 1 72 72 CYS HB3 H 1 3.038 0.04 . 9 . . . . 72 . . . 7120 1 800 . 1 1 72 72 CYS HB2 H 1 3 0.04 . 9 . . . . 72 . . . 7120 1 801 . 1 1 73 73 ALA N N 15 119.991 0.2 . 1 . . . . 73 . . . 7120 1 802 . 1 1 73 73 ALA H H 1 8.443 0.04 . 1 . . . . 73 . . . 7120 1 803 . 1 1 73 73 ALA CA C 13 54.082 0.3 . 1 . . . . 73 . . . 7120 1 804 . 1 1 73 73 ALA HA H 1 4.284 0.04 . 1 . . . . 73 . . . 7120 1 805 . 1 1 73 73 ALA CB C 13 19.701 0.3 . 1 . . . . 73 . . . 7120 1 806 . 1 1 73 73 ALA HB1 H 1 1.557 0.04 . 1 . . . . 73 . . . 7120 1 807 . 1 1 73 73 ALA HB2 H 1 1.557 0.04 . 1 . . . . 73 . . . 7120 1 808 . 1 1 73 73 ALA HB3 H 1 1.557 0.04 . 1 . . . . 73 . . . 7120 1 809 . 1 1 74 74 VAL N N 15 110.534 0.2 . 1 . . . . 74 . . . 7120 1 810 . 1 1 74 74 VAL H H 1 7.264 0.04 . 1 . . . . 74 . . . 7120 1 811 . 1 1 74 74 VAL CA C 13 61.481 0.3 . 1 . . . . 74 . . . 7120 1 812 . 1 1 74 74 VAL HA H 1 4.358 0.04 . 1 . . . . 74 . . . 7120 1 813 . 1 1 74 74 VAL CB C 13 32.062 0.3 . 1 . . . . 74 . . . 7120 1 814 . 1 1 74 74 VAL HB H 1 2.359 0.04 . 1 . . . . 74 . . . 7120 1 815 . 1 1 74 74 VAL CG2 C 13 21.037 0.3 . 1 . . . . 74 . . . 7120 1 816 . 1 1 74 74 VAL HG21 H 1 0.988 0.04 . 2 . . . . 74 . . . 7120 1 817 . 1 1 74 74 VAL HG22 H 1 0.988 0.04 . 2 . . . . 74 . . . 7120 1 818 . 1 1 74 74 VAL HG23 H 1 0.988 0.04 . 2 . . . . 74 . . . 7120 1 819 . 1 1 74 74 VAL CG1 C 13 19.458 0.3 . 2 . . . . 74 . . . 7120 1 820 . 1 1 74 74 VAL HG11 H 1 1.026 0.04 . 2 . . . . 74 . . . 7120 1 821 . 1 1 74 74 VAL HG12 H 1 1.026 0.04 . 2 . . . . 74 . . . 7120 1 822 . 1 1 74 74 VAL HG13 H 1 1.026 0.04 . 2 . . . . 74 . . . 7120 1 823 . 1 1 75 75 MET N N 15 123.07 0.2 . 1 . . . . 75 . . . 7120 1 824 . 1 1 75 75 MET H H 1 7.674 0.04 . 1 . . . . 75 . . . 7120 1 825 . 1 1 75 75 MET CA C 13 56.001 0.3 . 1 . . . . 75 . . . 7120 1 826 . 1 1 75 75 MET HA H 1 4.443 0.04 . 1 . . . . 75 . . . 7120 1 827 . 1 1 75 75 MET CB C 13 32.121 0.3 . 1 . . . . 75 . . . 7120 1 828 . 1 1 75 75 MET HB3 H 1 2.154 0.04 . 9 . . . . 75 . . . 7120 1 829 . 1 1 75 75 MET HB2 H 1 2.091 0.04 . 9 . . . . 75 . . . 7120 1 830 . 1 1 75 75 MET CG C 13 32.121 0.3 . 1 . . . . 75 . . . 7120 1 831 . 1 1 75 75 MET HG3 H 1 2.721 0.04 . 2 . . . . 75 . . . 7120 1 832 . 1 1 75 75 MET HG2 H 1 2.536 0.04 . 2 . . . . 75 . . . 7120 1 833 . 1 1 75 75 MET HE1 H 1 1.492 0.04 . 1 . . . . 75 . . . 7120 1 834 . 1 1 75 75 MET HE2 H 1 1.492 0.04 . 1 . . . . 75 . . . 7120 1 835 . 1 1 75 75 MET HE3 H 1 1.492 0.04 . 1 . . . . 75 . . . 7120 1 836 . 1 1 76 76 LYS N N 15 127.836 0.2 . 1 . . . . 76 . . . 7120 1 837 . 1 1 76 76 LYS H H 1 7.855 0.04 . 1 . . . . 76 . . . 7120 1 838 . 1 1 76 76 LYS HA H 1 4.104 0.04 . 1 . . . . 76 . . . 7120 1 839 . 1 1 76 76 LYS HB3 H 1 1.755 0.04 . 2 . . . . 76 . . . 7120 1 840 . 1 1 76 76 LYS HB2 H 1 1.634 0.04 . 2 . . . . 76 . . . 7120 1 841 . 1 1 76 76 LYS HG3 H 1 1.306 0.04 . 2 . . . . 76 . . . 7120 1 842 . 1 1 76 76 LYS HD3 H 1 1.891 0.04 . 2 . . . . 76 . . . 7120 1 843 . 1 1 76 76 LYS HE2 H 1 2.881 0.04 . 2 . . . . 76 . . . 7120 1 stop_ save_