data_19033 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19033 _Entry.Title ; NMR structure of the SH3 domain of human RAS p21 protein activator (GTPase activating protein) 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-12 _Entry.Accession_date 2013-02-12 _Entry.Last_release_date 2013-03-21 _Entry.Original_release_date 2013-03-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Samit Dutta . K. . 19033 2 Pedro Serrano . . . 19033 3 Michael Geralt . . . 19033 4 Kurt Wuthrich . . . 19033 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 19033 2 PSI:Biology 'Partnership for T-Cell Biology' . 19033 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SH3 domain of RAS GAP1' . 19033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 19033 '15N chemical shifts' 69 19033 '1H chemical shifts' 450 19033 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 . . 2013-03-21 2013-02-12 original author . 19033 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19012 'hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)' 19033 BMRB 19034 'third RNA Recognition Motif (RRM) of U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2' 19033 PDB 2GQI . 19033 PDB 2J05 . 19033 PDB 2J06 . 19033 PDB 4FSS . 19033 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19033 _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 'NMR structure of the SH3 domain of human RAS p21 protein activator (GTPase activating protein) 1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Samit Dutta . K. . 19033 1 2 Pedro Serrano . . . 19033 1 3 Michael Geralt . . . 19033 1 4 Kurt Wuthrich . . . 19033 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19033 _Assembly.ID 1 _Assembly.Name 'SH3 domain of human RAS GAP 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'SH3 domain of human RAS GAP 1' 1 $RAS_GAP_1 A . yes native no no . . . 19033 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 yes PDB 2GQI . . 'solution NMR' . . . 19033 1 yes PDB 2J05 . . X-ray 1.5 . . 19033 1 yes PDB 2J06 . . X-ray 1.8 . . 19033 1 yes PDB 4fss . . X-ray 2.25 . . 19033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RAS_GAP_1 _Entity.Sf_category entity _Entity.Sf_framecode RAS_GAP_1 _Entity.Entry_ID 19033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RAS_GAP_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRRRVRAILPYTKVPDTDEI SFLKGDMFIVHNELEDGWMW VTNLRTDEQGLIVEDLVEEV GR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7268.292 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes PDB 2J06 . . . . . . . . . . . . . . . . 19033 1 2 yes PDB 2GQI . . . . . . . . . . . . . . . . 19033 1 3 yes PDB 4FSS . . . . . . . . . . . . . . . . 19033 1 4 yes PDB 2J05 . . . . . . . . . . . . . . . . 19033 1 5 no PDB 2GQI . "Solution Structure Of The Sh3 Domain Of Human Ras Gtpase- Activating Protein 1" . . . . . 93.55 71 100.00 100.00 4.82e-33 . . . . 19033 1 6 no PDB 2M51 . "Nmr Structure Of The Sh3 Domain Of Human Ras P21 Protein Activator (gtpase Activating Protein) 1" . . . . . 100.00 62 100.00 100.00 1.09e-35 . . . . 19033 1 7 no DBJ BAD92343 . "RAS p21 protein activator 1 isoform 1 variant [Homo sapiens]" . . . . . 98.39 871 100.00 100.00 1.14e-34 . . . . 19033 1 8 no DBJ BAE21614 . "unnamed protein product [Mus musculus]" . . . . . 58.06 742 100.00 100.00 1.00e-15 . . . . 19033 1 9 no DBJ BAG35610 . "unnamed protein product [Homo sapiens]" . . . . . 98.39 870 100.00 100.00 7.27e-34 . . . . 19033 1 10 no DBJ BAG62024 . "unnamed protein product [Homo sapiens]" . . . . . 98.39 880 100.00 100.00 6.68e-34 . . . . 19033 1 11 no DBJ BAG62030 . "unnamed protein product [Homo sapiens]" . . . . . 98.39 824 100.00 100.00 4.89e-34 . . . . 19033 1 12 no EMBL CAA31122 . "unnamed protein product [Bos taurus]" . . . . . 98.39 1044 100.00 100.00 1.08e-34 . . . . 19033 1 13 no EMBL CAH18488 . "hypothetical protein [Homo sapiens]" . . . . . 98.39 539 100.00 100.00 1.49e-35 . . . . 19033 1 14 no EMBL CAH90505 . "hypothetical protein [Pongo abelii]" . . . . . 98.39 1047 100.00 100.00 1.39e-34 . . . . 19033 1 15 no GB AAA16319 . "GTPase-activating protein [Rattus norvegicus]" . . . . . 98.39 1038 100.00 100.00 1.32e-34 . . . . 19033 1 16 no GB AAA35865 . "GTPase-activating protein [Homo sapiens]" . . . . . 98.39 870 100.00 100.00 7.27e-34 . . . . 19033 1 17 no GB AAA52517 . "GTPase-activating protein [Homo sapiens]" . . . . . 98.39 1047 100.00 100.00 1.59e-34 . . . . 19033 1 18 no GB AAH13637 . "RAS p21 protein activator 1 [Mus musculus]" . . . . . 98.39 813 100.00 100.00 4.51e-34 . . . . 19033 1 19 no GB AAH20761 . "RASA1 protein [Homo sapiens]" . . . . . 98.39 317 100.00 100.00 1.99e-33 . . . . 19033 1 20 no PRF 1411306A . "GTPase activating protein GAP" . . . . . 98.39 1044 100.00 100.00 1.08e-34 . . . . 19033 1 21 no PRF 1615347A . "ras p21 GTPase activating protein" . . . . . 98.39 1038 100.00 100.00 1.08e-34 . . . . 19033 1 22 no PRF 1615347B . "ras p21 GTPase activating protein" . . . . . 98.39 1047 100.00 100.00 1.59e-34 . . . . 19033 1 23 no REF NP_001125265 . "ras GTPase-activating protein 1 [Pongo abelii]" . . . . . 98.39 1047 100.00 100.00 1.39e-34 . . . . 19033 1 24 no REF NP_002881 . "ras GTPase-activating protein 1 isoform 1 [Homo sapiens]" . . . . . 98.39 1047 100.00 100.00 1.59e-34 . . . . 19033 1 25 no REF NP_037267 . "ras GTPase-activating protein 1 [Rattus norvegicus]" . . . . . 98.39 1038 100.00 100.00 1.32e-34 . . . . 19033 1 26 no REF NP_072179 . "ras GTPase-activating protein 1 isoform 2 [Homo sapiens]" . . . . . 98.39 870 100.00 100.00 7.27e-34 . . . . 19033 1 27 no REF NP_663427 . "ras GTPase-activating protein 1 [Mus musculus]" . . . . . 98.39 1038 100.00 100.00 1.07e-34 . . . . 19033 1 28 no SP P09851 . "RecName: Full=Ras GTPase-activating protein 1; Short=GAP; Short=GTPase-activating protein; Short=RasGAP; AltName: Full=Ras p21 " . . . . . 98.39 1044 100.00 100.00 1.08e-34 . . . . 19033 1 29 no SP P20936 . "RecName: Full=Ras GTPase-activating protein 1; Short=GAP; Short=GTPase-activating protein; Short=RasGAP; AltName: Full=Ras p21 " . . . . . 98.39 1047 100.00 100.00 1.59e-34 . . . . 19033 1 30 no SP P50904 . "RecName: Full=Ras GTPase-activating protein 1; Short=GAP; Short=GTPase-activating protein; Short=RasGAP; AltName: Full=Ras p21 " . . . . . 98.39 1038 100.00 100.00 1.32e-34 . . . . 19033 1 31 no TPG DAA27162 . "TPA: ras GTPase-activating protein 1 [Bos taurus]" . . . . . 98.39 1044 100.00 100.00 1.08e-34 . . . . 19033 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 GLY . 19033 1 2 2 ARG . 19033 1 3 3 ARG . 19033 1 4 4 ARG . 19033 1 5 5 VAL . 19033 1 6 6 ARG . 19033 1 7 7 ALA . 19033 1 8 8 ILE . 19033 1 9 9 LEU . 19033 1 10 10 PRO . 19033 1 11 11 TYR . 19033 1 12 12 THR . 19033 1 13 13 LYS . 19033 1 14 14 VAL . 19033 1 15 15 PRO . 19033 1 16 16 ASP . 19033 1 17 17 THR . 19033 1 18 18 ASP . 19033 1 19 19 GLU . 19033 1 20 20 ILE . 19033 1 21 21 SER . 19033 1 22 22 PHE . 19033 1 23 23 LEU . 19033 1 24 24 LYS . 19033 1 25 25 GLY . 19033 1 26 26 ASP . 19033 1 27 27 MET . 19033 1 28 28 PHE . 19033 1 29 29 ILE . 19033 1 30 30 VAL . 19033 1 31 31 HIS . 19033 1 32 32 ASN . 19033 1 33 33 GLU . 19033 1 34 34 LEU . 19033 1 35 35 GLU . 19033 1 36 36 ASP . 19033 1 37 37 GLY . 19033 1 38 38 TRP . 19033 1 39 39 MET . 19033 1 40 40 TRP . 19033 1 41 41 VAL . 19033 1 42 42 THR . 19033 1 43 43 ASN . 19033 1 44 44 LEU . 19033 1 45 45 ARG . 19033 1 46 46 THR . 19033 1 47 47 ASP . 19033 1 48 48 GLU . 19033 1 49 49 GLN . 19033 1 50 50 GLY . 19033 1 51 51 LEU . 19033 1 52 52 ILE . 19033 1 53 53 VAL . 19033 1 54 54 GLU . 19033 1 55 55 ASP . 19033 1 56 56 LEU . 19033 1 57 57 VAL . 19033 1 58 58 GLU . 19033 1 59 59 GLU . 19033 1 60 60 VAL . 19033 1 61 61 GLY . 19033 1 62 62 ARG . 19033 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 . GLY 1 1 19033 1 . ARG 2 2 19033 1 . ARG 3 3 19033 1 . ARG 4 4 19033 1 . VAL 5 5 19033 1 . ARG 6 6 19033 1 . ALA 7 7 19033 1 . ILE 8 8 19033 1 . LEU 9 9 19033 1 . PRO 10 10 19033 1 . TYR 11 11 19033 1 . THR 12 12 19033 1 . LYS 13 13 19033 1 . VAL 14 14 19033 1 . PRO 15 15 19033 1 . ASP 16 16 19033 1 . THR 17 17 19033 1 . ASP 18 18 19033 1 . GLU 19 19 19033 1 . ILE 20 20 19033 1 . SER 21 21 19033 1 . PHE 22 22 19033 1 . LEU 23 23 19033 1 . LYS 24 24 19033 1 . GLY 25 25 19033 1 . ASP 26 26 19033 1 . MET 27 27 19033 1 . PHE 28 28 19033 1 . ILE 29 29 19033 1 . VAL 30 30 19033 1 . HIS 31 31 19033 1 . ASN 32 32 19033 1 . GLU 33 33 19033 1 . LEU 34 34 19033 1 . GLU 35 35 19033 1 . ASP 36 36 19033 1 . GLY 37 37 19033 1 . TRP 38 38 19033 1 . MET 39 39 19033 1 . TRP 40 40 19033 1 . VAL 41 41 19033 1 . THR 42 42 19033 1 . ASN 43 43 19033 1 . LEU 44 44 19033 1 . ARG 45 45 19033 1 . THR 46 46 19033 1 . ASP 47 47 19033 1 . GLU 48 48 19033 1 . GLN 49 49 19033 1 . GLY 50 50 19033 1 . LEU 51 51 19033 1 . ILE 52 52 19033 1 . VAL 53 53 19033 1 . GLU 54 54 19033 1 . ASP 55 55 19033 1 . LEU 56 56 19033 1 . VAL 57 57 19033 1 . GLU 58 58 19033 1 . GLU 59 59 19033 1 . VAL 60 60 19033 1 . GLY 61 61 19033 1 . ARG 62 62 19033 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 19033 _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 $RAS_GAP_1 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'SH3 domain of human RAS p21 protein activator (GTPase activating protein) 1' . . 19033 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 19033 _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 $RAS_GAP_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . SpeedET . . . . . . 19033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19033 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 RAS_GAP_1 '[U-98% 13C; U-98% 15N]' . . 1 $RAS_GAP_1 . . 1.2 . . mM . . . . 19033 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19033 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19033 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19033 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19033 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19033 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19033 _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' 0.798 . M 19033 1 pH 6.0 . pH 19033 1 pressure 1 . atm 19033 1 temperature 298 . K 19033 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19033 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 19033 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19033 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19033 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19033 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19033 2 processing 19033 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19033 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19033 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19033 3 'data analysis' 19033 3 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 19033 _Software.ID 4 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19033 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19033 4 'peak picking' 19033 4 'structure solution' 19033 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 19033 _Software.ID 5 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19033 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19033 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19033 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19033 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19033 _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 Bruker Avance . 600 . . . 19033 1 2 spectrometer_2 Bruker Avance . 800 . . . 19033 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 19033 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19033 1 2 4D-HACANH-APSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19033 1 3 5D-CBCACONH-APSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19033 1 4 5D-HACACONH-APSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19033 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19033 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19033 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19033 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19033 _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 0.00 na indirect 0.251449530 . . . . . . . . . 19033 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19033 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19033 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19033 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.003 _Assigned_chem_shift_list.Chem_shift_13C_err 0.164 _Assigned_chem_shift_list.Chem_shift_15N_err 0.121 _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 '2D 1H-15N HSQC' . . . 19033 1 2 4D-HACANH-APSY . . . 19033 1 3 5D-CBCACONH-APSY . . . 19033 1 4 5D-HACACONH-APSY . . . 19033 1 5 '3D 1H-13C NOESY aliphatic' . . . 19033 1 7 '3D 1H-13C NOESY aromatic' . . . 19033 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 H H 1 8.600 0.003 . 1 . . . A 3 ARG H . 19033 1 2 . 1 1 3 3 ARG HA H 1 4.298 0.003 . 1 . . . A 3 ARG HA . 19033 1 3 . 1 1 3 3 ARG HB2 H 1 1.718 0.003 . 2 . . . A 3 ARG QB . 19033 1 4 . 1 1 3 3 ARG HB3 H 1 1.718 0.003 . 2 . . . A 3 ARG QB . 19033 1 5 . 1 1 3 3 ARG HG2 H 1 1.379 0.003 . 2 . . . A 3 ARG QG . 19033 1 6 . 1 1 3 3 ARG HG3 H 1 1.379 0.003 . 2 . . . A 3 ARG QG . 19033 1 7 . 1 1 3 3 ARG HD2 H 1 3.089 0.003 . 2 . . . A 3 ARG HD2 . 19033 1 8 . 1 1 3 3 ARG HD3 H 1 2.899 0.003 . 2 . . . A 3 ARG HD3 . 19033 1 9 . 1 1 3 3 ARG HE H 1 7.871 0.003 . 1 . . . A 3 ARG HE . 19033 1 10 . 1 1 3 3 ARG CA C 13 54.177 0.164 . 1 . . . A 3 ARG CA . 19033 1 11 . 1 1 3 3 ARG CB C 13 29.313 0.164 . 1 . . . A 3 ARG CB . 19033 1 12 . 1 1 3 3 ARG CG C 13 24.453 0.164 . 1 . . . A 3 ARG CG . 19033 1 13 . 1 1 3 3 ARG CD C 13 41.474 0.164 . 1 . . . A 3 ARG CD . 19033 1 14 . 1 1 3 3 ARG N N 15 123.172 0.121 . 1 . . . A 3 ARG N . 19033 1 15 . 1 1 3 3 ARG NE N 15 84.620 0.121 . 1 . . . A 3 ARG NE . 19033 1 16 . 1 1 4 4 ARG H H 1 8.458 0.003 . 1 . . . A 4 ARG H . 19033 1 17 . 1 1 4 4 ARG HA H 1 5.445 0.003 . 1 . . . A 4 ARG HA . 19033 1 18 . 1 1 4 4 ARG HB2 H 1 1.630 0.003 . 2 . . . A 4 ARG QB . 19033 1 19 . 1 1 4 4 ARG HB3 H 1 1.630 0.003 . 2 . . . A 4 ARG QB . 19033 1 20 . 1 1 4 4 ARG HG2 H 1 1.627 0.003 . 2 . . . A 4 ARG HG2 . 19033 1 21 . 1 1 4 4 ARG HG3 H 1 1.491 0.003 . 2 . . . A 4 ARG HG3 . 19033 1 22 . 1 1 4 4 ARG HD2 H 1 2.950 0.003 . 2 . . . A 4 ARG HD2 . 19033 1 23 . 1 1 4 4 ARG HD3 H 1 3.067 0.003 . 2 . . . A 4 ARG HD3 . 19033 1 24 . 1 1 4 4 ARG HE H 1 7.293 0.003 . 1 . . . A 4 ARG HE . 19033 1 25 . 1 1 4 4 ARG CA C 13 51.948 0.164 . 1 . . . A 4 ARG CA . 19033 1 26 . 1 1 4 4 ARG CB C 13 30.814 0.164 . 1 . . . A 4 ARG CB . 19033 1 27 . 1 1 4 4 ARG CG C 13 25.237 0.164 . 1 . . . A 4 ARG CG . 19033 1 28 . 1 1 4 4 ARG CD C 13 41.137 0.164 . 1 . . . A 4 ARG CD . 19033 1 29 . 1 1 4 4 ARG N N 15 122.811 0.121 . 1 . . . A 4 ARG N . 19033 1 30 . 1 1 4 4 ARG NE N 15 84.552 0.121 . 1 . . . A 4 ARG NE . 19033 1 31 . 1 1 5 5 VAL H H 1 8.173 0.003 . 1 . . . A 5 VAL H . 19033 1 32 . 1 1 5 5 VAL HA H 1 5.084 0.003 . 1 . . . A 5 VAL HA . 19033 1 33 . 1 1 5 5 VAL HB H 1 1.831 0.003 . 1 . . . A 5 VAL HB . 19033 1 34 . 1 1 5 5 VAL HG11 H 1 0.401 0.003 . 2 . . . A 5 VAL QG1 . 19033 1 35 . 1 1 5 5 VAL HG12 H 1 0.401 0.003 . 2 . . . A 5 VAL QG1 . 19033 1 36 . 1 1 5 5 VAL HG13 H 1 0.401 0.003 . 2 . . . A 5 VAL QG1 . 19033 1 37 . 1 1 5 5 VAL HG21 H 1 0.557 0.003 . 2 . . . A 5 VAL QG2 . 19033 1 38 . 1 1 5 5 VAL HG22 H 1 0.557 0.003 . 2 . . . A 5 VAL QG2 . 19033 1 39 . 1 1 5 5 VAL HG23 H 1 0.557 0.003 . 2 . . . A 5 VAL QG2 . 19033 1 40 . 1 1 5 5 VAL CA C 13 55.894 0.164 . 1 . . . A 5 VAL CA . 19033 1 41 . 1 1 5 5 VAL CB C 13 33.614 0.164 . 1 . . . A 5 VAL CB . 19033 1 42 . 1 1 5 5 VAL CG1 C 13 15.825 0.164 . 2 . . . A 5 VAL CG1 . 19033 1 43 . 1 1 5 5 VAL CG2 C 13 19.612 0.164 . 2 . . . A 5 VAL CG2 . 19033 1 44 . 1 1 5 5 VAL N N 15 112.133 0.121 . 1 . . . A 5 VAL N . 19033 1 45 . 1 1 6 6 ARG H H 1 9.102 0.003 . 1 . . . A 6 ARG H . 19033 1 46 . 1 1 6 6 ARG HA H 1 5.615 0.003 . 1 . . . A 6 ARG HA . 19033 1 47 . 1 1 6 6 ARG HB2 H 1 1.623 0.003 . 2 . . . A 6 ARG HB2 . 19033 1 48 . 1 1 6 6 ARG HB3 H 1 1.459 0.003 . 2 . . . A 6 ARG HB3 . 19033 1 49 . 1 1 6 6 ARG HG2 H 1 1.358 0.003 . 2 . . . A 6 ARG QG . 19033 1 50 . 1 1 6 6 ARG HG3 H 1 1.358 0.003 . 2 . . . A 6 ARG QG . 19033 1 51 . 1 1 6 6 ARG HD2 H 1 3.168 0.003 . 2 . . . A 6 ARG QD . 19033 1 52 . 1 1 6 6 ARG HD3 H 1 3.168 0.003 . 2 . . . A 6 ARG QD . 19033 1 53 . 1 1 6 6 ARG HE H 1 7.258 0.003 . 1 . . . A 6 ARG HE . 19033 1 54 . 1 1 6 6 ARG CA C 13 50.883 0.164 . 1 . . . A 6 ARG CA . 19033 1 55 . 1 1 6 6 ARG CB C 13 32.664 0.164 . 1 . . . A 6 ARG CB . 19033 1 56 . 1 1 6 6 ARG CG C 13 24.089 0.164 . 1 . . . A 6 ARG CG . 19033 1 57 . 1 1 6 6 ARG CD C 13 41.324 0.164 . 1 . . . A 6 ARG CD . 19033 1 58 . 1 1 6 6 ARG N N 15 120.981 0.121 . 1 . . . A 6 ARG N . 19033 1 59 . 1 1 6 6 ARG NE N 15 83.947 0.121 . 1 . . . A 6 ARG NE . 19033 1 60 . 1 1 7 7 ALA H H 1 9.300 0.003 . 1 . . . A 7 ALA H . 19033 1 61 . 1 1 7 7 ALA HA H 1 4.825 0.003 . 1 . . . A 7 ALA HA . 19033 1 62 . 1 1 7 7 ALA HB1 H 1 1.830 0.003 . 1 . . . A 7 ALA QB . 19033 1 63 . 1 1 7 7 ALA HB2 H 1 1.830 0.003 . 1 . . . A 7 ALA QB . 19033 1 64 . 1 1 7 7 ALA HB3 H 1 1.830 0.003 . 1 . . . A 7 ALA QB . 19033 1 65 . 1 1 7 7 ALA CA C 13 50.010 0.164 . 1 . . . A 7 ALA CA . 19033 1 66 . 1 1 7 7 ALA CB C 13 18.560 0.164 . 1 . . . A 7 ALA CB . 19033 1 67 . 1 1 7 7 ALA N N 15 127.309 0.121 . 1 . . . A 7 ALA N . 19033 1 68 . 1 1 8 8 ILE H H 1 9.095 0.003 . 1 . . . A 8 ILE H . 19033 1 69 . 1 1 8 8 ILE HA H 1 4.293 0.003 . 1 . . . A 8 ILE HA . 19033 1 70 . 1 1 8 8 ILE HB H 1 2.023 0.003 . 1 . . . A 8 ILE HB . 19033 1 71 . 1 1 8 8 ILE HG12 H 1 1.168 0.003 . 2 . . . A 8 ILE QG1 . 19033 1 72 . 1 1 8 8 ILE HG13 H 1 1.168 0.003 . 2 . . . A 8 ILE QG1 . 19033 1 73 . 1 1 8 8 ILE HG21 H 1 0.793 0.003 . 1 . . . A 8 ILE QG2 . 19033 1 74 . 1 1 8 8 ILE HG22 H 1 0.793 0.003 . 1 . . . A 8 ILE QG2 . 19033 1 75 . 1 1 8 8 ILE HG23 H 1 0.793 0.003 . 1 . . . A 8 ILE QG2 . 19033 1 76 . 1 1 8 8 ILE HD11 H 1 0.779 0.003 . 1 . . . A 8 ILE QD1 . 19033 1 77 . 1 1 8 8 ILE HD12 H 1 0.779 0.003 . 1 . . . A 8 ILE QD1 . 19033 1 78 . 1 1 8 8 ILE HD13 H 1 0.779 0.003 . 1 . . . A 8 ILE QD1 . 19033 1 79 . 1 1 8 8 ILE CA C 13 59.073 0.164 . 1 . . . A 8 ILE CA . 19033 1 80 . 1 1 8 8 ILE CB C 13 36.125 0.164 . 1 . . . A 8 ILE CB . 19033 1 81 . 1 1 8 8 ILE CG1 C 13 23.796 0.164 . 1 . . . A 8 ILE CG1 . 19033 1 82 . 1 1 8 8 ILE CG2 C 13 16.457 0.164 . 1 . . . A 8 ILE CG2 . 19033 1 83 . 1 1 8 8 ILE CD1 C 13 11.821 0.164 . 1 . . . A 8 ILE CD1 . 19033 1 84 . 1 1 8 8 ILE N N 15 119.944 0.121 . 1 . . . A 8 ILE N . 19033 1 85 . 1 1 9 9 LEU H H 1 7.738 0.003 . 1 . . . A 9 LEU H . 19033 1 86 . 1 1 9 9 LEU HA H 1 4.549 0.003 . 1 . . . A 9 LEU HA . 19033 1 87 . 1 1 9 9 LEU HB2 H 1 1.765 0.003 . 2 . . . A 9 LEU HB2 . 19033 1 88 . 1 1 9 9 LEU HB3 H 1 1.486 0.003 . 2 . . . A 9 LEU HB3 . 19033 1 89 . 1 1 9 9 LEU HG H 1 1.672 0.003 . 1 . . . A 9 LEU HG . 19033 1 90 . 1 1 9 9 LEU HD11 H 1 0.859 0.003 . 2 . . . A 9 LEU QD1 . 19033 1 91 . 1 1 9 9 LEU HD12 H 1 0.859 0.003 . 2 . . . A 9 LEU QD1 . 19033 1 92 . 1 1 9 9 LEU HD13 H 1 0.859 0.003 . 2 . . . A 9 LEU QD1 . 19033 1 93 . 1 1 9 9 LEU HD21 H 1 1.052 0.003 . 2 . . . A 9 LEU QD2 . 19033 1 94 . 1 1 9 9 LEU HD22 H 1 1.052 0.003 . 2 . . . A 9 LEU QD2 . 19033 1 95 . 1 1 9 9 LEU HD23 H 1 1.052 0.003 . 2 . . . A 9 LEU QD2 . 19033 1 96 . 1 1 9 9 LEU CA C 13 49.936 0.164 . 1 . . . A 9 LEU CA . 19033 1 97 . 1 1 9 9 LEU CB C 13 44.882 0.164 . 1 . . . A 9 LEU CB . 19033 1 98 . 1 1 9 9 LEU CG C 13 25.264 0.164 . 1 . . . A 9 LEU CG . 19033 1 99 . 1 1 9 9 LEU CD1 C 13 23.035 0.164 . 2 . . . A 9 LEU CD1 . 19033 1 100 . 1 1 9 9 LEU CD2 C 13 20.864 0.164 . 2 . . . A 9 LEU CD2 . 19033 1 101 . 1 1 9 9 LEU N N 15 123.267 0.121 . 1 . . . A 9 LEU N . 19033 1 102 . 1 1 10 10 PRO HA H 1 4.534 0.003 . 1 . . . A 10 PRO HA . 19033 1 103 . 1 1 10 10 PRO HB2 H 1 1.978 0.003 . 2 . . . A 10 PRO HB2 . 19033 1 104 . 1 1 10 10 PRO HB3 H 1 2.320 0.003 . 2 . . . A 10 PRO HB3 . 19033 1 105 . 1 1 10 10 PRO HG2 H 1 2.022 0.003 . 2 . . . A 10 PRO HG2 . 19033 1 106 . 1 1 10 10 PRO HG3 H 1 1.933 0.003 . 2 . . . A 10 PRO HG3 . 19033 1 107 . 1 1 10 10 PRO HD2 H 1 3.701 0.003 . 2 . . . A 10 PRO HD2 . 19033 1 108 . 1 1 10 10 PRO HD3 H 1 3.482 0.003 . 2 . . . A 10 PRO HD3 . 19033 1 109 . 1 1 10 10 PRO CA C 13 59.146 0.164 . 1 . . . A 10 PRO CA . 19033 1 110 . 1 1 10 10 PRO CB C 13 30.365 0.164 . 1 . . . A 10 PRO CB . 19033 1 111 . 1 1 10 10 PRO CG C 13 23.664 0.164 . 1 . . . A 10 PRO CG . 19033 1 112 . 1 1 10 10 PRO CD C 13 46.719 0.164 . 1 . . . A 10 PRO CD . 19033 1 113 . 1 1 11 11 TYR H H 1 7.754 0.003 . 1 . . . A 11 TYR H . 19033 1 114 . 1 1 11 11 TYR HA H 1 4.070 0.003 . 1 . . . A 11 TYR HA . 19033 1 115 . 1 1 11 11 TYR HB2 H 1 2.214 0.003 . 2 . . . A 11 TYR HB2 . 19033 1 116 . 1 1 11 11 TYR HB3 H 1 0.665 0.003 . 2 . . . A 11 TYR HB3 . 19033 1 117 . 1 1 11 11 TYR HD1 H 1 6.791 0.003 . 3 . . . A 11 TYR QD . 19033 1 118 . 1 1 11 11 TYR HD2 H 1 6.791 0.003 . 3 . . . A 11 TYR QD . 19033 1 119 . 1 1 11 11 TYR HE1 H 1 6.782 0.003 . 3 . . . A 11 TYR QE . 19033 1 120 . 1 1 11 11 TYR HE2 H 1 6.782 0.003 . 3 . . . A 11 TYR QE . 19033 1 121 . 1 1 11 11 TYR CA C 13 56.303 0.164 . 1 . . . A 11 TYR CA . 19033 1 122 . 1 1 11 11 TYR CB C 13 39.864 0.164 . 1 . . . A 11 TYR CB . 19033 1 123 . 1 1 11 11 TYR CD2 C 13 129.928 0.164 . 3 . . . A 11 TYR CD2 . 19033 1 124 . 1 1 11 11 TYR CE2 C 13 115.419 0.164 . 3 . . . A 11 TYR CE2 . 19033 1 125 . 1 1 11 11 TYR N N 15 117.178 0.121 . 1 . . . A 11 TYR N . 19033 1 126 . 1 1 12 12 THR H H 1 7.149 0.003 . 1 . . . A 12 THR H . 19033 1 127 . 1 1 12 12 THR HA H 1 4.224 0.003 . 1 . . . A 12 THR HA . 19033 1 128 . 1 1 12 12 THR HB H 1 3.485 0.003 . 1 . . . A 12 THR HB . 19033 1 129 . 1 1 12 12 THR HG21 H 1 0.998 0.003 . 1 . . . A 12 THR QG2 . 19033 1 130 . 1 1 12 12 THR HG22 H 1 0.998 0.003 . 1 . . . A 12 THR QG2 . 19033 1 131 . 1 1 12 12 THR HG23 H 1 0.998 0.003 . 1 . . . A 12 THR QG2 . 19033 1 132 . 1 1 12 12 THR CA C 13 57.833 0.164 . 1 . . . A 12 THR CA . 19033 1 133 . 1 1 12 12 THR CB C 13 66.962 0.164 . 1 . . . A 12 THR CB . 19033 1 134 . 1 1 12 12 THR CG2 C 13 18.634 0.164 . 1 . . . A 12 THR CG2 . 19033 1 135 . 1 1 12 12 THR N N 15 125.004 0.121 . 1 . . . A 12 THR N . 19033 1 136 . 1 1 13 13 LYS H H 1 8.121 0.003 . 1 . . . A 13 LYS H . 19033 1 137 . 1 1 13 13 LYS HA H 1 4.148 0.003 . 1 . . . A 13 LYS HA . 19033 1 138 . 1 1 13 13 LYS HB2 H 1 1.162 0.003 . 2 . . . A 13 LYS HB2 . 19033 1 139 . 1 1 13 13 LYS HB3 H 1 1.674 0.003 . 2 . . . A 13 LYS HB3 . 19033 1 140 . 1 1 13 13 LYS HG2 H 1 1.294 0.003 . 2 . . . A 13 LYS HG2 . 19033 1 141 . 1 1 13 13 LYS HG3 H 1 0.560 0.003 . 2 . . . A 13 LYS HG3 . 19033 1 142 . 1 1 13 13 LYS HD2 H 1 1.781 0.003 . 2 . . . A 13 LYS HD2 . 19033 1 143 . 1 1 13 13 LYS HD3 H 1 1.506 0.003 . 2 . . . A 13 LYS HD3 . 19033 1 144 . 1 1 13 13 LYS HE2 H 1 2.881 0.003 . 2 . . . A 13 LYS HE2 . 19033 1 145 . 1 1 13 13 LYS HE3 H 1 2.846 0.003 . 2 . . . A 13 LYS HE3 . 19033 1 146 . 1 1 13 13 LYS CA C 13 52.749 0.164 . 1 . . . A 13 LYS CA . 19033 1 147 . 1 1 13 13 LYS CB C 13 30.350 0.164 . 1 . . . A 13 LYS CB . 19033 1 148 . 1 1 13 13 LYS CG C 13 20.524 0.164 . 1 . . . A 13 LYS CG . 19033 1 149 . 1 1 13 13 LYS CD C 13 26.480 0.164 . 1 . . . A 13 LYS CD . 19033 1 150 . 1 1 13 13 LYS CE C 13 39.783 0.164 . 1 . . . A 13 LYS CE . 19033 1 151 . 1 1 13 13 LYS N N 15 123.175 0.121 . 1 . . . A 13 LYS N . 19033 1 152 . 1 1 14 14 VAL H H 1 8.061 0.003 . 1 . . . A 14 VAL H . 19033 1 153 . 1 1 14 14 VAL HA H 1 4.048 0.003 . 1 . . . A 14 VAL HA . 19033 1 154 . 1 1 14 14 VAL HB H 1 1.801 0.003 . 1 . . . A 14 VAL HB . 19033 1 155 . 1 1 14 14 VAL HG11 H 1 0.923 0.003 . 2 . . . A 14 VAL QG1 . 19033 1 156 . 1 1 14 14 VAL HG12 H 1 0.923 0.003 . 2 . . . A 14 VAL QG1 . 19033 1 157 . 1 1 14 14 VAL HG13 H 1 0.923 0.003 . 2 . . . A 14 VAL QG1 . 19033 1 158 . 1 1 14 14 VAL HG21 H 1 1.053 0.003 . 2 . . . A 14 VAL QG2 . 19033 1 159 . 1 1 14 14 VAL HG22 H 1 1.053 0.003 . 2 . . . A 14 VAL QG2 . 19033 1 160 . 1 1 14 14 VAL HG23 H 1 1.053 0.003 . 2 . . . A 14 VAL QG2 . 19033 1 161 . 1 1 14 14 VAL CA C 13 58.059 0.164 . 1 . . . A 14 VAL CA . 19033 1 162 . 1 1 14 14 VAL CB C 13 29.394 0.164 . 1 . . . A 14 VAL CB . 19033 1 163 . 1 1 14 14 VAL CG1 C 13 17.990 0.164 . 2 . . . A 14 VAL CG1 . 19033 1 164 . 1 1 14 14 VAL CG2 C 13 20.225 0.164 . 2 . . . A 14 VAL CG2 . 19033 1 165 . 1 1 14 14 VAL N N 15 126.091 0.121 . 1 . . . A 14 VAL N . 19033 1 166 . 1 1 15 15 PRO HA H 1 4.120 0.003 . 1 . . . A 15 PRO HA . 19033 1 167 . 1 1 15 15 PRO HB2 H 1 2.194 0.003 . 2 . . . A 15 PRO HB2 . 19033 1 168 . 1 1 15 15 PRO HB3 H 1 1.756 0.003 . 2 . . . A 15 PRO HB3 . 19033 1 169 . 1 1 15 15 PRO HG2 H 1 1.859 0.003 . 2 . . . A 15 PRO HG2 . 19033 1 170 . 1 1 15 15 PRO HG3 H 1 1.969 0.003 . 2 . . . A 15 PRO HG3 . 19033 1 171 . 1 1 15 15 PRO HD2 H 1 3.572 0.003 . 2 . . . A 15 PRO HD2 . 19033 1 172 . 1 1 15 15 PRO HD3 H 1 3.853 0.003 . 2 . . . A 15 PRO HD3 . 19033 1 173 . 1 1 15 15 PRO CA C 13 61.050 0.164 . 1 . . . A 15 PRO CA . 19033 1 174 . 1 1 15 15 PRO CB C 13 29.695 0.164 . 1 . . . A 15 PRO CB . 19033 1 175 . 1 1 15 15 PRO CG C 13 24.935 0.164 . 1 . . . A 15 PRO CG . 19033 1 176 . 1 1 15 15 PRO CD C 13 48.767 0.164 . 1 . . . A 15 PRO CD . 19033 1 177 . 1 1 16 16 ASP H H 1 8.808 0.003 . 1 . . . A 16 ASP H . 19033 1 178 . 1 1 16 16 ASP HA H 1 4.287 0.003 . 1 . . . A 16 ASP HA . 19033 1 179 . 1 1 16 16 ASP HB2 H 1 2.839 0.003 . 2 . . . A 16 ASP HB2 . 19033 1 180 . 1 1 16 16 ASP HB3 H 1 2.774 0.003 . 2 . . . A 16 ASP HB3 . 19033 1 181 . 1 1 16 16 ASP CA C 13 53.189 0.164 . 1 . . . A 16 ASP CA . 19033 1 182 . 1 1 16 16 ASP CB C 13 36.311 0.164 . 1 . . . A 16 ASP CB . 19033 1 183 . 1 1 16 16 ASP N N 15 115.188 0.121 . 1 . . . A 16 ASP N . 19033 1 184 . 1 1 17 17 THR H H 1 7.264 0.003 . 1 . . . A 17 THR H . 19033 1 185 . 1 1 17 17 THR HA H 1 4.704 0.003 . 1 . . . A 17 THR HA . 19033 1 186 . 1 1 17 17 THR HB H 1 4.273 0.003 . 1 . . . A 17 THR HB . 19033 1 187 . 1 1 17 17 THR HG21 H 1 1.021 0.003 . 1 . . . A 17 THR QG2 . 19033 1 188 . 1 1 17 17 THR HG22 H 1 1.021 0.003 . 1 . . . A 17 THR QG2 . 19033 1 189 . 1 1 17 17 THR HG23 H 1 1.021 0.003 . 1 . . . A 17 THR QG2 . 19033 1 190 . 1 1 17 17 THR CA C 13 58.069 0.164 . 1 . . . A 17 THR CA . 19033 1 191 . 1 1 17 17 THR CB C 13 70.764 0.164 . 1 . . . A 17 THR CB . 19033 1 192 . 1 1 17 17 THR CG2 C 13 18.419 0.164 . 1 . . . A 17 THR CG2 . 19033 1 193 . 1 1 17 17 THR N N 15 106.185 0.121 . 1 . . . A 17 THR N . 19033 1 194 . 1 1 18 18 ASP H H 1 8.855 0.003 . 1 . . . A 18 ASP H . 19033 1 195 . 1 1 18 18 ASP HA H 1 4.963 0.003 . 1 . . . A 18 ASP HA . 19033 1 196 . 1 1 18 18 ASP HB2 H 1 3.257 0.003 . 2 . . . A 18 ASP HB2 . 19033 1 197 . 1 1 18 18 ASP HB3 H 1 2.582 0.003 . 2 . . . A 18 ASP HB3 . 19033 1 198 . 1 1 18 18 ASP CA C 13 51.920 0.164 . 1 . . . A 18 ASP CA . 19033 1 199 . 1 1 18 18 ASP CB C 13 38.059 0.164 . 1 . . . A 18 ASP CB . 19033 1 200 . 1 1 18 18 ASP N N 15 117.426 0.121 . 1 . . . A 18 ASP N . 19033 1 201 . 1 1 19 19 GLU H H 1 7.603 0.003 . 1 . . . A 19 GLU H . 19033 1 202 . 1 1 19 19 GLU HA H 1 4.694 0.003 . 1 . . . A 19 GLU HA . 19033 1 203 . 1 1 19 19 GLU HB2 H 1 2.535 0.003 . 2 . . . A 19 GLU HB2 . 19033 1 204 . 1 1 19 19 GLU HB3 H 1 1.939 0.003 . 2 . . . A 19 GLU HB3 . 19033 1 205 . 1 1 19 19 GLU HG2 H 1 2.311 0.003 . 2 . . . A 19 GLU QG . 19033 1 206 . 1 1 19 19 GLU HG3 H 1 2.311 0.003 . 2 . . . A 19 GLU QG . 19033 1 207 . 1 1 19 19 GLU CA C 13 54.515 0.164 . 1 . . . A 19 GLU CA . 19033 1 208 . 1 1 19 19 GLU CB C 13 29.535 0.164 . 1 . . . A 19 GLU CB . 19033 1 209 . 1 1 19 19 GLU CG C 13 33.581 0.164 . 1 . . . A 19 GLU CG . 19033 1 210 . 1 1 19 19 GLU N N 15 119.666 0.121 . 1 . . . A 19 GLU N . 19033 1 211 . 1 1 20 20 ILE H H 1 6.909 0.003 . 1 . . . A 20 ILE H . 19033 1 212 . 1 1 20 20 ILE HA H 1 4.853 0.003 . 1 . . . A 20 ILE HA . 19033 1 213 . 1 1 20 20 ILE HB H 1 2.071 0.003 . 1 . . . A 20 ILE HB . 19033 1 214 . 1 1 20 20 ILE HG12 H 1 0.585 0.003 . 2 . . . A 20 ILE HG12 . 19033 1 215 . 1 1 20 20 ILE HG13 H 1 1.458 0.003 . 2 . . . A 20 ILE HG13 . 19033 1 216 . 1 1 20 20 ILE HG21 H 1 0.653 0.003 . 1 . . . A 20 ILE QG2 . 19033 1 217 . 1 1 20 20 ILE HG22 H 1 0.653 0.003 . 1 . . . A 20 ILE QG2 . 19033 1 218 . 1 1 20 20 ILE HG23 H 1 0.653 0.003 . 1 . . . A 20 ILE QG2 . 19033 1 219 . 1 1 20 20 ILE HD11 H 1 0.722 0.003 . 1 . . . A 20 ILE QD1 . 19033 1 220 . 1 1 20 20 ILE HD12 H 1 0.722 0.003 . 1 . . . A 20 ILE QD1 . 19033 1 221 . 1 1 20 20 ILE HD13 H 1 0.722 0.003 . 1 . . . A 20 ILE QD1 . 19033 1 222 . 1 1 20 20 ILE CA C 13 56.257 0.164 . 1 . . . A 20 ILE CA . 19033 1 223 . 1 1 20 20 ILE CB C 13 38.401 0.164 . 1 . . . A 20 ILE CB . 19033 1 224 . 1 1 20 20 ILE CG1 C 13 22.702 0.164 . 1 . . . A 20 ILE CG1 . 19033 1 225 . 1 1 20 20 ILE CG2 C 13 16.145 0.164 . 1 . . . A 20 ILE CG2 . 19033 1 226 . 1 1 20 20 ILE CD1 C 13 12.517 0.164 . 1 . . . A 20 ILE CD1 . 19033 1 227 . 1 1 20 20 ILE N N 15 109.127 0.121 . 1 . . . A 20 ILE N . 19033 1 228 . 1 1 21 21 SER H H 1 8.738 0.003 . 1 . . . A 21 SER H . 19033 1 229 . 1 1 21 21 SER HA H 1 4.796 0.003 . 1 . . . A 21 SER HA . 19033 1 230 . 1 1 21 21 SER HB2 H 1 3.764 0.003 . 2 . . . A 21 SER HB2 . 19033 1 231 . 1 1 21 21 SER HB3 H 1 4.121 0.003 . 2 . . . A 21 SER HB3 . 19033 1 232 . 1 1 21 21 SER CA C 13 54.907 0.164 . 1 . . . A 21 SER CA . 19033 1 233 . 1 1 21 21 SER CB C 13 61.426 0.164 . 1 . . . A 21 SER CB . 19033 1 234 . 1 1 21 21 SER N N 15 117.834 0.121 . 1 . . . A 21 SER N . 19033 1 235 . 1 1 22 22 PHE H H 1 8.860 0.003 . 1 . . . A 22 PHE H . 19033 1 236 . 1 1 22 22 PHE HA H 1 4.665 0.003 . 1 . . . A 22 PHE HA . 19033 1 237 . 1 1 22 22 PHE HB2 H 1 3.279 0.003 . 2 . . . A 22 PHE HB2 . 19033 1 238 . 1 1 22 22 PHE HB3 H 1 3.585 0.003 . 2 . . . A 22 PHE HB3 . 19033 1 239 . 1 1 22 22 PHE HD1 H 1 5.972 0.003 . 3 . . . A 22 PHE QD . 19033 1 240 . 1 1 22 22 PHE HD2 H 1 5.972 0.003 . 3 . . . A 22 PHE QD . 19033 1 241 . 1 1 22 22 PHE CA C 13 53.807 0.164 . 1 . . . A 22 PHE CA . 19033 1 242 . 1 1 22 22 PHE CB C 13 38.324 0.164 . 1 . . . A 22 PHE CB . 19033 1 243 . 1 1 22 22 PHE CD1 C 13 125.472 0.164 . 3 . . . A 22 PHE CD1 . 19033 1 244 . 1 1 22 22 PHE N N 15 116.177 0.121 . 1 . . . A 22 PHE N . 19033 1 245 . 1 1 23 23 LEU H H 1 8.681 0.003 . 1 . . . A 23 LEU H . 19033 1 246 . 1 1 23 23 LEU HA H 1 4.611 0.003 . 1 . . . A 23 LEU HA . 19033 1 247 . 1 1 23 23 LEU HB2 H 1 1.536 0.003 . 2 . . . A 23 LEU HB2 . 19033 1 248 . 1 1 23 23 LEU HB3 H 1 1.423 0.003 . 2 . . . A 23 LEU HB3 . 19033 1 249 . 1 1 23 23 LEU HG H 1 1.528 0.003 . 1 . . . A 23 LEU HG . 19033 1 250 . 1 1 23 23 LEU HD11 H 1 0.800 0.003 . 2 . . . A 23 LEU QD1 . 19033 1 251 . 1 1 23 23 LEU HD12 H 1 0.800 0.003 . 2 . . . A 23 LEU QD1 . 19033 1 252 . 1 1 23 23 LEU HD13 H 1 0.800 0.003 . 2 . . . A 23 LEU QD1 . 19033 1 253 . 1 1 23 23 LEU HD21 H 1 0.754 0.003 . 2 . . . A 23 LEU QD2 . 19033 1 254 . 1 1 23 23 LEU HD22 H 1 0.754 0.003 . 2 . . . A 23 LEU QD2 . 19033 1 255 . 1 1 23 23 LEU HD23 H 1 0.754 0.003 . 2 . . . A 23 LEU QD2 . 19033 1 256 . 1 1 23 23 LEU CA C 13 49.953 0.164 . 1 . . . A 23 LEU CA . 19033 1 257 . 1 1 23 23 LEU CB C 13 41.634 0.164 . 1 . . . A 23 LEU CB . 19033 1 258 . 1 1 23 23 LEU CG C 13 24.496 0.164 . 1 . . . A 23 LEU CG . 19033 1 259 . 1 1 23 23 LEU CD1 C 13 20.000 0.164 . 2 . . . A 23 LEU CD1 . 19033 1 260 . 1 1 23 23 LEU CD2 C 13 22.343 0.164 . 2 . . . A 23 LEU CD2 . 19033 1 261 . 1 1 23 23 LEU N N 15 121.283 0.121 . 1 . . . A 23 LEU N . 19033 1 262 . 1 1 24 24 LYS H H 1 8.076 0.003 . 1 . . . A 24 LYS H . 19033 1 263 . 1 1 24 24 LYS HA H 1 3.322 0.003 . 1 . . . A 24 LYS HA . 19033 1 264 . 1 1 24 24 LYS HB2 H 1 1.269 0.003 . 2 . . . A 24 LYS HB2 . 19033 1 265 . 1 1 24 24 LYS HB3 H 1 1.649 0.003 . 2 . . . A 24 LYS HB3 . 19033 1 266 . 1 1 24 24 LYS HG2 H 1 1.151 0.003 . 2 . . . A 24 LYS HG2 . 19033 1 267 . 1 1 24 24 LYS HG3 H 1 1.026 0.003 . 2 . . . A 24 LYS HG3 . 19033 1 268 . 1 1 24 24 LYS HD2 H 1 1.660 0.003 . 2 . . . A 24 LYS HD2 . 19033 1 269 . 1 1 24 24 LYS HD3 H 1 1.594 0.003 . 2 . . . A 24 LYS HD3 . 19033 1 270 . 1 1 24 24 LYS HE2 H 1 2.946 0.003 . 2 . . . A 24 LYS QE . 19033 1 271 . 1 1 24 24 LYS HE3 H 1 2.946 0.003 . 2 . . . A 24 LYS QE . 19033 1 272 . 1 1 24 24 LYS CA C 13 56.428 0.164 . 1 . . . A 24 LYS CA . 19033 1 273 . 1 1 24 24 LYS CB C 13 29.987 0.164 . 1 . . . A 24 LYS CB . 19033 1 274 . 1 1 24 24 LYS CG C 13 22.669 0.164 . 1 . . . A 24 LYS CG . 19033 1 275 . 1 1 24 24 LYS CD C 13 27.244 0.164 . 1 . . . A 24 LYS CD . 19033 1 276 . 1 1 24 24 LYS CE C 13 39.474 0.164 . 1 . . . A 24 LYS CE . 19033 1 277 . 1 1 24 24 LYS N N 15 119.660 0.121 . 1 . . . A 24 LYS N . 19033 1 278 . 1 1 25 25 GLY H H 1 8.569 0.003 . 1 . . . A 25 GLY H . 19033 1 279 . 1 1 25 25 GLY HA2 H 1 3.349 0.003 . 2 . . . A 25 GLY HA2 . 19033 1 280 . 1 1 25 25 GLY HA3 H 1 4.391 0.003 . 2 . . . A 25 GLY HA3 . 19033 1 281 . 1 1 25 25 GLY CA C 13 42.313 0.164 . 1 . . . A 25 GLY CA . 19033 1 282 . 1 1 25 25 GLY N N 15 115.402 0.121 . 1 . . . A 25 GLY N . 19033 1 283 . 1 1 26 26 ASP H H 1 7.847 0.003 . 1 . . . A 26 ASP H . 19033 1 284 . 1 1 26 26 ASP HA H 1 4.307 0.003 . 1 . . . A 26 ASP HA . 19033 1 285 . 1 1 26 26 ASP HB2 H 1 2.564 0.003 . 2 . . . A 26 ASP HB2 . 19033 1 286 . 1 1 26 26 ASP HB3 H 1 1.939 0.003 . 2 . . . A 26 ASP HB3 . 19033 1 287 . 1 1 26 26 ASP CA C 13 53.273 0.164 . 1 . . . A 26 ASP CA . 19033 1 288 . 1 1 26 26 ASP CB C 13 37.932 0.164 . 1 . . . A 26 ASP CB . 19033 1 289 . 1 1 26 26 ASP N N 15 122.287 0.121 . 1 . . . A 26 ASP N . 19033 1 290 . 1 1 27 27 MET H H 1 8.117 0.003 . 1 . . . A 27 MET H . 19033 1 291 . 1 1 27 27 MET HA H 1 5.070 0.003 . 1 . . . A 27 MET HA . 19033 1 292 . 1 1 27 27 MET HB2 H 1 1.890 0.003 . 2 . . . A 27 MET HB2 . 19033 1 293 . 1 1 27 27 MET HB3 H 1 1.760 0.003 . 2 . . . A 27 MET HB3 . 19033 1 294 . 1 1 27 27 MET HG2 H 1 2.513 0.003 . 2 . . . A 27 MET HG2 . 19033 1 295 . 1 1 27 27 MET HG3 H 1 2.391 0.003 . 2 . . . A 27 MET HG3 . 19033 1 296 . 1 1 27 27 MET HE1 H 1 1.958 0.003 . 1 . . . A 27 MET QE . 19033 1 297 . 1 1 27 27 MET HE2 H 1 1.958 0.003 . 1 . . . A 27 MET QE . 19033 1 298 . 1 1 27 27 MET HE3 H 1 1.958 0.003 . 1 . . . A 27 MET QE . 19033 1 299 . 1 1 27 27 MET CA C 13 50.485 0.164 . 1 . . . A 27 MET CA . 19033 1 300 . 1 1 27 27 MET CB C 13 32.786 0.164 . 1 . . . A 27 MET CB . 19033 1 301 . 1 1 27 27 MET CG C 13 29.639 0.164 . 1 . . . A 27 MET CG . 19033 1 302 . 1 1 27 27 MET CE C 13 14.323 0.164 . 1 . . . A 27 MET CE . 19033 1 303 . 1 1 27 27 MET N N 15 119.570 0.121 . 1 . . . A 27 MET N . 19033 1 304 . 1 1 28 28 PHE H H 1 8.909 0.003 . 1 . . . A 28 PHE H . 19033 1 305 . 1 1 28 28 PHE HA H 1 5.659 0.003 . 1 . . . A 28 PHE HA . 19033 1 306 . 1 1 28 28 PHE HB2 H 1 2.332 0.003 . 2 . . . A 28 PHE HB2 . 19033 1 307 . 1 1 28 28 PHE HB3 H 1 2.545 0.003 . 2 . . . A 28 PHE HB3 . 19033 1 308 . 1 1 28 28 PHE HD1 H 1 6.639 0.003 . 3 . . . A 28 PHE QD . 19033 1 309 . 1 1 28 28 PHE HD2 H 1 6.639 0.003 . 3 . . . A 28 PHE QD . 19033 1 310 . 1 1 28 28 PHE HE1 H 1 6.586 0.003 . 3 . . . A 28 PHE QE . 19033 1 311 . 1 1 28 28 PHE HE2 H 1 6.586 0.003 . 3 . . . A 28 PHE QE . 19033 1 312 . 1 1 28 28 PHE HZ H 1 6.956 0.003 . 1 . . . A 28 PHE HZ . 19033 1 313 . 1 1 28 28 PHE CA C 13 52.237 0.164 . 1 . . . A 28 PHE CA . 19033 1 314 . 1 1 28 28 PHE CB C 13 39.127 0.164 . 1 . . . A 28 PHE CB . 19033 1 315 . 1 1 28 28 PHE CD1 C 13 129.253 0.164 . 3 . . . A 28 PHE CD1 . 19033 1 316 . 1 1 28 28 PHE CE1 C 13 127.054 0.164 . 3 . . . A 28 PHE CE1 . 19033 1 317 . 1 1 28 28 PHE CZ C 13 127.716 0.164 . 1 . . . A 28 PHE CZ . 19033 1 318 . 1 1 28 28 PHE N N 15 116.911 0.121 . 1 . . . A 28 PHE N . 19033 1 319 . 1 1 29 29 ILE H H 1 8.060 0.003 . 1 . . . A 29 ILE H . 19033 1 320 . 1 1 29 29 ILE HA H 1 4.554 0.003 . 1 . . . A 29 ILE HA . 19033 1 321 . 1 1 29 29 ILE HB H 1 1.475 0.003 . 1 . . . A 29 ILE HB . 19033 1 322 . 1 1 29 29 ILE HG12 H 1 1.487 0.003 . 2 . . . A 29 ILE HG12 . 19033 1 323 . 1 1 29 29 ILE HG13 H 1 1.018 0.003 . 2 . . . A 29 ILE HG13 . 19033 1 324 . 1 1 29 29 ILE HG21 H 1 0.660 0.003 . 1 . . . A 29 ILE QG2 . 19033 1 325 . 1 1 29 29 ILE HG22 H 1 0.660 0.003 . 1 . . . A 29 ILE QG2 . 19033 1 326 . 1 1 29 29 ILE HG23 H 1 0.660 0.003 . 1 . . . A 29 ILE QG2 . 19033 1 327 . 1 1 29 29 ILE HD11 H 1 0.776 0.003 . 1 . . . A 29 ILE QD1 . 19033 1 328 . 1 1 29 29 ILE HD12 H 1 0.776 0.003 . 1 . . . A 29 ILE QD1 . 19033 1 329 . 1 1 29 29 ILE HD13 H 1 0.776 0.003 . 1 . . . A 29 ILE QD1 . 19033 1 330 . 1 1 29 29 ILE CA C 13 56.548 0.164 . 1 . . . A 29 ILE CA . 19033 1 331 . 1 1 29 29 ILE CB C 13 37.618 0.164 . 1 . . . A 29 ILE CB . 19033 1 332 . 1 1 29 29 ILE CG1 C 13 24.982 0.164 . 1 . . . A 29 ILE CG1 . 19033 1 333 . 1 1 29 29 ILE CG2 C 13 15.015 0.164 . 1 . . . A 29 ILE CG2 . 19033 1 334 . 1 1 29 29 ILE CD1 C 13 10.556 0.164 . 1 . . . A 29 ILE CD1 . 19033 1 335 . 1 1 29 29 ILE N N 15 118.126 0.121 . 1 . . . A 29 ILE N . 19033 1 336 . 1 1 30 30 VAL H H 1 8.331 0.003 . 1 . . . A 30 VAL H . 19033 1 337 . 1 1 30 30 VAL HA H 1 3.864 0.003 . 1 . . . A 30 VAL HA . 19033 1 338 . 1 1 30 30 VAL HB H 1 1.962 0.003 . 1 . . . A 30 VAL HB . 19033 1 339 . 1 1 30 30 VAL HG11 H 1 0.726 0.003 . 2 . . . A 30 VAL QG1 . 19033 1 340 . 1 1 30 30 VAL HG12 H 1 0.726 0.003 . 2 . . . A 30 VAL QG1 . 19033 1 341 . 1 1 30 30 VAL HG13 H 1 0.726 0.003 . 2 . . . A 30 VAL QG1 . 19033 1 342 . 1 1 30 30 VAL HG21 H 1 0.640 0.003 . 2 . . . A 30 VAL QG2 . 19033 1 343 . 1 1 30 30 VAL HG22 H 1 0.640 0.003 . 2 . . . A 30 VAL QG2 . 19033 1 344 . 1 1 30 30 VAL HG23 H 1 0.640 0.003 . 2 . . . A 30 VAL QG2 . 19033 1 345 . 1 1 30 30 VAL CA C 13 59.874 0.164 . 1 . . . A 30 VAL CA . 19033 1 346 . 1 1 30 30 VAL CB C 13 29.863 0.164 . 1 . . . A 30 VAL CB . 19033 1 347 . 1 1 30 30 VAL CG1 C 13 18.775 0.164 . 2 . . . A 30 VAL CG1 . 19033 1 348 . 1 1 30 30 VAL CG2 C 13 19.468 0.164 . 2 . . . A 30 VAL CG2 . 19033 1 349 . 1 1 30 30 VAL N N 15 125.411 0.121 . 1 . . . A 30 VAL N . 19033 1 350 . 1 1 31 31 HIS H H 1 9.289 0.003 . 1 . . . A 31 HIS H . 19033 1 351 . 1 1 31 31 HIS HA H 1 4.698 0.003 . 1 . . . A 31 HIS HA . 19033 1 352 . 1 1 31 31 HIS HB2 H 1 3.167 0.003 . 1 . . . A 31 HIS HB2 . 19033 1 353 . 1 1 31 31 HIS HB3 H 1 3.253 0.003 . 1 . . . A 31 HIS HB3 . 19033 1 354 . 1 1 31 31 HIS HD1 H 1 7.872 0.003 . 1 . . . A 31 HIS HD1 . 19033 1 355 . 1 1 31 31 HIS HD2 H 1 6.664 0.003 . 1 . . . A 31 HIS HD2 . 19033 1 356 . 1 1 31 31 HIS HE1 H 1 7.824 0.003 . 1 . . . A 31 HIS HE1 . 19033 1 357 . 1 1 31 31 HIS CA C 13 54.672 0.164 . 1 . . . A 31 HIS CA . 19033 1 358 . 1 1 31 31 HIS CB C 13 28.040 0.164 . 1 . . . A 31 HIS CB . 19033 1 359 . 1 1 31 31 HIS CD2 C 13 119.431 0.164 . 1 . . . A 31 HIS CD2 . 19033 1 360 . 1 1 31 31 HIS CE1 C 13 135.581 0.164 . 1 . . . A 31 HIS CE1 . 19033 1 361 . 1 1 31 31 HIS N N 15 127.208 0.121 . 1 . . . A 31 HIS N . 19033 1 362 . 1 1 31 31 HIS ND1 N 15 177.279 0.121 . 1 . . . A 31 HIS ND1 . 19033 1 363 . 1 1 32 32 ASN H H 1 7.866 0.003 . 1 . . . A 32 ASN H . 19033 1 364 . 1 1 32 32 ASN HA H 1 4.950 0.003 . 1 . . . A 32 ASN HA . 19033 1 365 . 1 1 32 32 ASN HB2 H 1 2.597 0.003 . 2 . . . A 32 ASN HB2 . 19033 1 366 . 1 1 32 32 ASN HB3 H 1 2.729 0.003 . 2 . . . A 32 ASN HB3 . 19033 1 367 . 1 1 32 32 ASN HD21 H 1 6.669 0.003 . 1 . . . A 32 ASN HD21 . 19033 1 368 . 1 1 32 32 ASN HD22 H 1 7.366 0.003 . 1 . . . A 32 ASN HD22 . 19033 1 369 . 1 1 32 32 ASN CA C 13 50.672 0.164 . 1 . . . A 32 ASN CA . 19033 1 370 . 1 1 32 32 ASN CB C 13 39.290 0.164 . 1 . . . A 32 ASN CB . 19033 1 371 . 1 1 32 32 ASN N N 15 112.446 0.121 . 1 . . . A 32 ASN N . 19033 1 372 . 1 1 32 32 ASN ND2 N 15 111.930 0.121 . 1 . . . A 32 ASN ND2 . 19033 1 373 . 1 1 33 33 GLU H H 1 8.723 0.003 . 1 . . . A 33 GLU H . 19033 1 374 . 1 1 33 33 GLU HA H 1 4.405 0.003 . 1 . . . A 33 GLU HA . 19033 1 375 . 1 1 33 33 GLU HB2 H 1 2.097 0.003 . 2 . . . A 33 GLU HB2 . 19033 1 376 . 1 1 33 33 GLU HB3 H 1 1.892 0.003 . 2 . . . A 33 GLU HB3 . 19033 1 377 . 1 1 33 33 GLU HG2 H 1 2.104 0.003 . 2 . . . A 33 GLU QG . 19033 1 378 . 1 1 33 33 GLU HG3 H 1 2.104 0.003 . 2 . . . A 33 GLU QG . 19033 1 379 . 1 1 33 33 GLU CA C 13 54.104 0.164 . 1 . . . A 33 GLU CA . 19033 1 380 . 1 1 33 33 GLU CB C 13 27.678 0.164 . 1 . . . A 33 GLU CB . 19033 1 381 . 1 1 33 33 GLU CG C 13 33.776 0.164 . 1 . . . A 33 GLU CG . 19033 1 382 . 1 1 33 33 GLU N N 15 123.553 0.121 . 1 . . . A 33 GLU N . 19033 1 383 . 1 1 34 34 LEU H H 1 8.488 0.003 . 1 . . . A 34 LEU H . 19033 1 384 . 1 1 34 34 LEU HA H 1 4.650 0.003 . 1 . . . A 34 LEU HA . 19033 1 385 . 1 1 34 34 LEU HB2 H 1 1.682 0.003 . 2 . . . A 34 LEU HB2 . 19033 1 386 . 1 1 34 34 LEU HB3 H 1 1.780 0.003 . 2 . . . A 34 LEU HB3 . 19033 1 387 . 1 1 34 34 LEU HG H 1 1.520 0.003 . 1 . . . A 34 LEU HG . 19033 1 388 . 1 1 34 34 LEU HD11 H 1 0.812 0.003 . 2 . . . A 34 LEU QD1 . 19033 1 389 . 1 1 34 34 LEU HD12 H 1 0.812 0.003 . 2 . . . A 34 LEU QD1 . 19033 1 390 . 1 1 34 34 LEU HD13 H 1 0.812 0.003 . 2 . . . A 34 LEU QD1 . 19033 1 391 . 1 1 34 34 LEU HD21 H 1 0.894 0.003 . 2 . . . A 34 LEU QD2 . 19033 1 392 . 1 1 34 34 LEU HD22 H 1 0.894 0.003 . 2 . . . A 34 LEU QD2 . 19033 1 393 . 1 1 34 34 LEU HD23 H 1 0.894 0.003 . 2 . . . A 34 LEU QD2 . 19033 1 394 . 1 1 34 34 LEU CA C 13 51.344 0.164 . 1 . . . A 34 LEU CA . 19033 1 395 . 1 1 34 34 LEU CB C 13 39.813 0.164 . 1 . . . A 34 LEU CB . 19033 1 396 . 1 1 34 34 LEU CG C 13 25.661 0.164 . 1 . . . A 34 LEU CG . 19033 1 397 . 1 1 34 34 LEU CD1 C 13 21.358 0.164 . 2 . . . A 34 LEU CD1 . 19033 1 398 . 1 1 34 34 LEU CD2 C 13 23.632 0.164 . 2 . . . A 34 LEU CD2 . 19033 1 399 . 1 1 34 34 LEU N N 15 125.739 0.121 . 1 . . . A 34 LEU N . 19033 1 400 . 1 1 35 35 GLU H H 1 8.174 0.003 . 1 . . . A 35 GLU H . 19033 1 401 . 1 1 35 35 GLU HA H 1 4.289 0.003 . 1 . . . A 35 GLU HA . 19033 1 402 . 1 1 35 35 GLU HB2 H 1 1.952 0.003 . 2 . . . A 35 GLU HB2 . 19033 1 403 . 1 1 35 35 GLU HB3 H 1 2.036 0.003 . 2 . . . A 35 GLU HB3 . 19033 1 404 . 1 1 35 35 GLU HG2 H 1 2.284 0.003 . 2 . . . A 35 GLU HG2 . 19033 1 405 . 1 1 35 35 GLU CA C 13 54.432 0.164 . 1 . . . A 35 GLU CA . 19033 1 406 . 1 1 35 35 GLU CB C 13 27.756 0.164 . 1 . . . A 35 GLU CB . 19033 1 407 . 1 1 35 35 GLU CG C 13 33.812 0.164 . 1 . . . A 35 GLU CG . 19033 1 408 . 1 1 35 35 GLU N N 15 117.915 0.121 . 1 . . . A 35 GLU N . 19033 1 409 . 1 1 36 36 ASP H H 1 8.755 0.003 . 1 . . . A 36 ASP H . 19033 1 410 . 1 1 36 36 ASP HA H 1 4.363 0.003 . 1 . . . A 36 ASP HA . 19033 1 411 . 1 1 36 36 ASP HB2 H 1 2.972 0.003 . 2 . . . A 36 ASP HB2 . 19033 1 412 . 1 1 36 36 ASP HB3 H 1 2.906 0.003 . 2 . . . A 36 ASP HB3 . 19033 1 413 . 1 1 36 36 ASP CA C 13 52.392 0.164 . 1 . . . A 36 ASP CA . 19033 1 414 . 1 1 36 36 ASP CB C 13 37.268 0.164 . 1 . . . A 36 ASP CB . 19033 1 415 . 1 1 36 36 ASP N N 15 116.640 0.121 . 1 . . . A 36 ASP N . 19033 1 416 . 1 1 37 37 GLY H H 1 8.235 0.003 . 1 . . . A 37 GLY H . 19033 1 417 . 1 1 37 37 GLY HA2 H 1 3.955 0.003 . 2 . . . A 37 GLY HA2 . 19033 1 418 . 1 1 37 37 GLY HA3 H 1 3.524 0.003 . 2 . . . A 37 GLY HA3 . 19033 1 419 . 1 1 37 37 GLY CA C 13 43.066 0.164 . 1 . . . A 37 GLY CA . 19033 1 420 . 1 1 37 37 GLY N N 15 104.775 0.121 . 1 . . . A 37 GLY N . 19033 1 421 . 1 1 38 38 TRP H H 1 7.331 0.003 . 1 . . . A 38 TRP H . 19033 1 422 . 1 1 38 38 TRP HA H 1 4.952 0.003 . 1 . . . A 38 TRP HA . 19033 1 423 . 1 1 38 38 TRP HB2 H 1 3.169 0.003 . 2 . . . A 38 TRP HB2 . 19033 1 424 . 1 1 38 38 TRP HB3 H 1 3.067 0.003 . 2 . . . A 38 TRP HB3 . 19033 1 425 . 1 1 38 38 TRP HD1 H 1 7.245 0.003 . 1 . . . A 38 TRP HD1 . 19033 1 426 . 1 1 38 38 TRP HE1 H 1 10.108 0.003 . 1 . . . A 38 TRP HE1 . 19033 1 427 . 1 1 38 38 TRP HE3 H 1 7.281 0.003 . 1 . . . A 38 TRP HE3 . 19033 1 428 . 1 1 38 38 TRP HZ2 H 1 7.343 0.003 . 1 . . . A 38 TRP HZ2 . 19033 1 429 . 1 1 38 38 TRP HZ3 H 1 6.662 0.003 . 1 . . . A 38 TRP HZ3 . 19033 1 430 . 1 1 38 38 TRP HH2 H 1 7.083 0.003 . 1 . . . A 38 TRP HH2 . 19033 1 431 . 1 1 38 38 TRP CA C 13 54.689 0.164 . 1 . . . A 38 TRP CA . 19033 1 432 . 1 1 38 38 TRP CB C 13 28.348 0.164 . 1 . . . A 38 TRP CB . 19033 1 433 . 1 1 38 38 TRP CD1 C 13 125.394 0.164 . 1 . . . A 38 TRP CD1 . 19033 1 434 . 1 1 38 38 TRP CE3 C 13 117.837 0.164 . 1 . . . A 38 TRP CE3 . 19033 1 435 . 1 1 38 38 TRP CZ2 C 13 111.548 0.164 . 1 . . . A 38 TRP CZ2 . 19033 1 436 . 1 1 38 38 TRP CZ3 C 13 118.542 0.164 . 1 . . . A 38 TRP CZ3 . 19033 1 437 . 1 1 38 38 TRP CH2 C 13 122.284 0.164 . 1 . . . A 38 TRP CH2 . 19033 1 438 . 1 1 38 38 TRP N N 15 119.789 0.121 . 1 . . . A 38 TRP N . 19033 1 439 . 1 1 38 38 TRP NE1 N 15 129.306 0.121 . 1 . . . A 38 TRP NE1 . 19033 1 440 . 1 1 39 39 MET H H 1 9.330 0.003 . 1 . . . A 39 MET H . 19033 1 441 . 1 1 39 39 MET HA H 1 4.941 0.003 . 1 . . . A 39 MET HA . 19033 1 442 . 1 1 39 39 MET HB2 H 1 1.590 0.003 . 2 . . . A 39 MET HB2 . 19033 1 443 . 1 1 39 39 MET HB3 H 1 1.859 0.003 . 2 . . . A 39 MET HB3 . 19033 1 444 . 1 1 39 39 MET HG2 H 1 2.233 0.003 . 2 . . . A 39 MET HG2 . 19033 1 445 . 1 1 39 39 MET HG3 H 1 2.198 0.003 . 2 . . . A 39 MET HG3 . 19033 1 446 . 1 1 39 39 MET HE1 H 1 1.563 0.003 . 1 . . . A 39 MET QE . 19033 1 447 . 1 1 39 39 MET HE2 H 1 1.563 0.003 . 1 . . . A 39 MET QE . 19033 1 448 . 1 1 39 39 MET HE3 H 1 1.563 0.003 . 1 . . . A 39 MET QE . 19033 1 449 . 1 1 39 39 MET CA C 13 52.194 0.164 . 1 . . . A 39 MET CA . 19033 1 450 . 1 1 39 39 MET CB C 13 35.101 0.164 . 1 . . . A 39 MET CB . 19033 1 451 . 1 1 39 39 MET CG C 13 29.529 0.164 . 1 . . . A 39 MET CG . 19033 1 452 . 1 1 39 39 MET CE C 13 14.882 0.164 . 1 . . . A 39 MET CE . 19033 1 453 . 1 1 39 39 MET N N 15 118.460 0.121 . 1 . . . A 39 MET N . 19033 1 454 . 1 1 40 40 TRP H H 1 8.777 0.003 . 1 . . . A 40 TRP H . 19033 1 455 . 1 1 40 40 TRP HA H 1 5.068 0.003 . 1 . . . A 40 TRP HA . 19033 1 456 . 1 1 40 40 TRP HB2 H 1 3.351 0.003 . 1 . . . A 40 TRP HB2 . 19033 1 457 . 1 1 40 40 TRP HB3 H 1 3.008 0.003 . 1 . . . A 40 TRP HB3 . 19033 1 458 . 1 1 40 40 TRP HD1 H 1 6.765 0.003 . 1 . . . A 40 TRP HD1 . 19033 1 459 . 1 1 40 40 TRP HE1 H 1 10.215 0.003 . 1 . . . A 40 TRP HE1 . 19033 1 460 . 1 1 40 40 TRP HE3 H 1 7.413 0.003 . 1 . . . A 40 TRP HE3 . 19033 1 461 . 1 1 40 40 TRP HZ2 H 1 7.296 0.003 . 1 . . . A 40 TRP HZ2 . 19033 1 462 . 1 1 40 40 TRP HZ3 H 1 6.985 0.003 . 1 . . . A 40 TRP HZ3 . 19033 1 463 . 1 1 40 40 TRP HH2 H 1 7.152 0.003 . 1 . . . A 40 TRP HH2 . 19033 1 464 . 1 1 40 40 TRP CA C 13 54.321 0.164 . 1 . . . A 40 TRP CA . 19033 1 465 . 1 1 40 40 TRP CB C 13 27.857 0.164 . 1 . . . A 40 TRP CB . 19033 1 466 . 1 1 40 40 TRP CD1 C 13 123.567 0.164 . 1 . . . A 40 TRP CD1 . 19033 1 467 . 1 1 40 40 TRP CE3 C 13 117.348 0.164 . 1 . . . A 40 TRP CE3 . 19033 1 468 . 1 1 40 40 TRP CZ2 C 13 111.688 0.164 . 1 . . . A 40 TRP CZ2 . 19033 1 469 . 1 1 40 40 TRP CZ3 C 13 118.879 0.164 . 1 . . . A 40 TRP CZ3 . 19033 1 470 . 1 1 40 40 TRP CH2 C 13 121.867 0.164 . 1 . . . A 40 TRP CH2 . 19033 1 471 . 1 1 40 40 TRP N N 15 123.201 0.121 . 1 . . . A 40 TRP N . 19033 1 472 . 1 1 40 40 TRP NE1 N 15 129.207 0.121 . 1 . . . A 40 TRP NE1 . 19033 1 473 . 1 1 41 41 VAL H H 1 8.755 0.003 . 1 . . . A 41 VAL H . 19033 1 474 . 1 1 41 41 VAL HA H 1 5.447 0.003 . 1 . . . A 41 VAL HA . 19033 1 475 . 1 1 41 41 VAL HB H 1 2.054 0.003 . 1 . . . A 41 VAL HB . 19033 1 476 . 1 1 41 41 VAL HG11 H 1 0.482 0.003 . 2 . . . A 41 VAL QG1 . 19033 1 477 . 1 1 41 41 VAL HG12 H 1 0.482 0.003 . 2 . . . A 41 VAL QG1 . 19033 1 478 . 1 1 41 41 VAL HG13 H 1 0.482 0.003 . 2 . . . A 41 VAL QG1 . 19033 1 479 . 1 1 41 41 VAL HG21 H 1 0.531 0.003 . 2 . . . A 41 VAL QG2 . 19033 1 480 . 1 1 41 41 VAL HG22 H 1 0.531 0.003 . 2 . . . A 41 VAL QG2 . 19033 1 481 . 1 1 41 41 VAL HG23 H 1 0.531 0.003 . 2 . . . A 41 VAL QG2 . 19033 1 482 . 1 1 41 41 VAL CA C 13 56.711 0.164 . 1 . . . A 41 VAL CA . 19033 1 483 . 1 1 41 41 VAL CB C 13 34.428 0.164 . 1 . . . A 41 VAL CB . 19033 1 484 . 1 1 41 41 VAL CG1 C 13 17.176 0.164 . 2 . . . A 41 VAL CG1 . 19033 1 485 . 1 1 41 41 VAL CG2 C 13 19.304 0.164 . 2 . . . A 41 VAL CG2 . 19033 1 486 . 1 1 41 41 VAL N N 15 120.754 0.121 . 1 . . . A 41 VAL N . 19033 1 487 . 1 1 42 42 THR H H 1 8.142 0.003 . 1 . . . A 42 THR H . 19033 1 488 . 1 1 42 42 THR HA H 1 4.999 0.003 . 1 . . . A 42 THR HA . 19033 1 489 . 1 1 42 42 THR HB H 1 3.865 0.003 . 1 . . . A 42 THR HB . 19033 1 490 . 1 1 42 42 THR HG21 H 1 1.003 0.003 . 1 . . . A 42 THR QG2 . 19033 1 491 . 1 1 42 42 THR HG22 H 1 1.003 0.003 . 1 . . . A 42 THR QG2 . 19033 1 492 . 1 1 42 42 THR HG23 H 1 1.003 0.003 . 1 . . . A 42 THR QG2 . 19033 1 493 . 1 1 42 42 THR CA C 13 59.763 0.164 . 1 . . . A 42 THR CA . 19033 1 494 . 1 1 42 42 THR CB C 13 68.696 0.164 . 1 . . . A 42 THR CB . 19033 1 495 . 1 1 42 42 THR CG2 C 13 18.970 0.164 . 1 . . . A 42 THR CG2 . 19033 1 496 . 1 1 42 42 THR N N 15 112.967 0.121 . 1 . . . A 42 THR N . 19033 1 497 . 1 1 43 43 ASN H H 1 8.848 0.003 . 1 . . . A 43 ASN H . 19033 1 498 . 1 1 43 43 ASN HA H 1 4.409 0.003 . 1 . . . A 43 ASN HA . 19033 1 499 . 1 1 43 43 ASN HB2 H 1 2.361 0.003 . 2 . . . A 43 ASN HB2 . 19033 1 500 . 1 1 43 43 ASN HB3 H 1 3.361 0.003 . 2 . . . A 43 ASN HB3 . 19033 1 501 . 1 1 43 43 ASN HD21 H 1 6.356 0.003 . 1 . . . A 43 ASN HD21 . 19033 1 502 . 1 1 43 43 ASN HD22 H 1 7.352 0.003 . 1 . . . A 43 ASN HD22 . 19033 1 503 . 1 1 43 43 ASN CA C 13 50.340 0.164 . 1 . . . A 43 ASN CA . 19033 1 504 . 1 1 43 43 ASN CB C 13 36.786 0.164 . 1 . . . A 43 ASN CB . 19033 1 505 . 1 1 43 43 ASN N N 15 124.680 0.121 . 1 . . . A 43 ASN N . 19033 1 506 . 1 1 43 43 ASN ND2 N 15 109.898 0.121 . 1 . . . A 43 ASN ND2 . 19033 1 507 . 1 1 44 44 LEU H H 1 8.841 0.003 . 1 . . . A 44 LEU H . 19033 1 508 . 1 1 44 44 LEU HA H 1 4.049 0.003 . 1 . . . A 44 LEU HA . 19033 1 509 . 1 1 44 44 LEU HB2 H 1 1.483 0.003 . 2 . . . A 44 LEU HB2 . 19033 1 510 . 1 1 44 44 LEU HB3 H 1 1.343 0.003 . 2 . . . A 44 LEU HB3 . 19033 1 511 . 1 1 44 44 LEU HG H 1 1.443 0.003 . 1 . . . A 44 LEU HG . 19033 1 512 . 1 1 44 44 LEU HD11 H 1 0.747 0.003 . 2 . . . A 44 LEU QD1 . 19033 1 513 . 1 1 44 44 LEU HD12 H 1 0.747 0.003 . 2 . . . A 44 LEU QD1 . 19033 1 514 . 1 1 44 44 LEU HD13 H 1 0.747 0.003 . 2 . . . A 44 LEU QD1 . 19033 1 515 . 1 1 44 44 LEU HD21 H 1 1.001 0.003 . 2 . . . A 44 LEU QD2 . 19033 1 516 . 1 1 44 44 LEU HD22 H 1 1.001 0.003 . 2 . . . A 44 LEU QD2 . 19033 1 517 . 1 1 44 44 LEU HD23 H 1 1.001 0.003 . 2 . . . A 44 LEU QD2 . 19033 1 518 . 1 1 44 44 LEU CA C 13 54.255 0.164 . 1 . . . A 44 LEU CA . 19033 1 519 . 1 1 44 44 LEU CB C 13 38.647 0.164 . 1 . . . A 44 LEU CB . 19033 1 520 . 1 1 44 44 LEU CG C 13 24.744 0.164 . 1 . . . A 44 LEU CG . 19033 1 521 . 1 1 44 44 LEU CD1 C 13 19.524 0.164 . 2 . . . A 44 LEU CD1 . 19033 1 522 . 1 1 44 44 LEU CD2 C 13 18.875 0.164 . 2 . . . A 44 LEU CD2 . 19033 1 523 . 1 1 44 44 LEU N N 15 126.753 0.121 . 1 . . . A 44 LEU N . 19033 1 524 . 1 1 45 45 ARG H H 1 8.452 0.003 . 1 . . . A 45 ARG H . 19033 1 525 . 1 1 45 45 ARG HA H 1 4.155 0.003 . 1 . . . A 45 ARG HA . 19033 1 526 . 1 1 45 45 ARG HB2 H 1 1.670 0.003 . 2 . . . A 45 ARG HB2 . 19033 1 527 . 1 1 45 45 ARG HB3 H 1 1.807 0.003 . 2 . . . A 45 ARG HB3 . 19033 1 528 . 1 1 45 45 ARG HG2 H 1 1.375 0.003 . 2 . . . A 45 ARG QG . 19033 1 529 . 1 1 45 45 ARG HG3 H 1 1.375 0.003 . 2 . . . A 45 ARG QG . 19033 1 530 . 1 1 45 45 ARG HD2 H 1 2.911 0.003 . 2 . . . A 45 ARG HD2 . 19033 1 531 . 1 1 45 45 ARG HD3 H 1 3.366 0.003 . 2 . . . A 45 ARG HD3 . 19033 1 532 . 1 1 45 45 ARG HE H 1 9.500 0.003 . 1 . . . A 45 ARG HE . 19033 1 533 . 1 1 45 45 ARG CA C 13 56.319 0.164 . 1 . . . A 45 ARG CA . 19033 1 534 . 1 1 45 45 ARG CB C 13 27.552 0.164 . 1 . . . A 45 ARG CB . 19033 1 535 . 1 1 45 45 ARG CG C 13 24.535 0.164 . 1 . . . A 45 ARG CG . 19033 1 536 . 1 1 45 45 ARG CD C 13 39.390 0.164 . 1 . . . A 45 ARG CD . 19033 1 537 . 1 1 45 45 ARG N N 15 119.154 0.121 . 1 . . . A 45 ARG N . 19033 1 538 . 1 1 45 45 ARG NE N 15 82.243 0.121 . 1 . . . A 45 ARG NE . 19033 1 539 . 1 1 46 46 THR H H 1 6.842 0.003 . 1 . . . A 46 THR H . 19033 1 540 . 1 1 46 46 THR HA H 1 4.180 0.003 . 1 . . . A 46 THR HA . 19033 1 541 . 1 1 46 46 THR HB H 1 4.298 0.003 . 1 . . . A 46 THR HB . 19033 1 542 . 1 1 46 46 THR HG21 H 1 1.046 0.003 . 1 . . . A 46 THR QG2 . 19033 1 543 . 1 1 46 46 THR HG22 H 1 1.046 0.003 . 1 . . . A 46 THR QG2 . 19033 1 544 . 1 1 46 46 THR HG23 H 1 1.046 0.003 . 1 . . . A 46 THR QG2 . 19033 1 545 . 1 1 46 46 THR CA C 13 58.368 0.164 . 1 . . . A 46 THR CA . 19033 1 546 . 1 1 46 46 THR CB C 13 67.991 0.164 . 1 . . . A 46 THR CB . 19033 1 547 . 1 1 46 46 THR CG2 C 13 19.119 0.164 . 1 . . . A 46 THR CG2 . 19033 1 548 . 1 1 46 46 THR N N 15 105.128 0.121 . 1 . . . A 46 THR N . 19033 1 549 . 1 1 47 47 ASP H H 1 8.650 0.003 . 1 . . . A 47 ASP H . 19033 1 550 . 1 1 47 47 ASP HA H 1 4.273 0.003 . 1 . . . A 47 ASP HA . 19033 1 551 . 1 1 47 47 ASP HB2 H 1 2.607 0.003 . 2 . . . A 47 ASP HB2 . 19033 1 552 . 1 1 47 47 ASP HB3 H 1 2.972 0.003 . 2 . . . A 47 ASP HB3 . 19033 1 553 . 1 1 47 47 ASP CA C 13 53.593 0.164 . 1 . . . A 47 ASP CA . 19033 1 554 . 1 1 47 47 ASP CB C 13 37.748 0.164 . 1 . . . A 47 ASP CB . 19033 1 555 . 1 1 47 47 ASP N N 15 120.147 0.121 . 1 . . . A 47 ASP N . 19033 1 556 . 1 1 48 48 GLU H H 1 7.454 0.003 . 1 . . . A 48 GLU H . 19033 1 557 . 1 1 48 48 GLU HA H 1 4.294 0.003 . 1 . . . A 48 GLU HA . 19033 1 558 . 1 1 48 48 GLU HB2 H 1 1.857 0.003 . 2 . . . A 48 GLU HB2 . 19033 1 559 . 1 1 48 48 GLU HB3 H 1 1.938 0.003 . 2 . . . A 48 GLU HB3 . 19033 1 560 . 1 1 48 48 GLU HG2 H 1 2.197 0.003 . 2 . . . A 48 GLU HG2 . 19033 1 561 . 1 1 48 48 GLU HG3 H 1 2.270 0.003 . 2 . . . A 48 GLU HG3 . 19033 1 562 . 1 1 48 48 GLU CA C 13 53.743 0.164 . 1 . . . A 48 GLU CA . 19033 1 563 . 1 1 48 48 GLU CB C 13 29.503 0.164 . 1 . . . A 48 GLU CB . 19033 1 564 . 1 1 48 48 GLU CG C 13 34.649 0.164 . 1 . . . A 48 GLU CG . 19033 1 565 . 1 1 48 48 GLU N N 15 117.574 0.121 . 1 . . . A 48 GLU N . 19033 1 566 . 1 1 49 49 GLN H H 1 8.314 0.003 . 1 . . . A 49 GLN H . 19033 1 567 . 1 1 49 49 GLN HA H 1 5.649 0.003 . 1 . . . A 49 GLN HA . 19033 1 568 . 1 1 49 49 GLN HB2 H 1 1.877 0.003 . 2 . . . A 49 GLN HB2 . 19033 1 569 . 1 1 49 49 GLN HB3 H 1 1.957 0.003 . 2 . . . A 49 GLN HB3 . 19033 1 570 . 1 1 49 49 GLN HG2 H 1 2.480 0.003 . 2 . . . A 49 GLN HG2 . 19033 1 571 . 1 1 49 49 GLN HG3 H 1 2.362 0.003 . 2 . . . A 49 GLN HG3 . 19033 1 572 . 1 1 49 49 GLN HE21 H 1 6.658 0.003 . 1 . . . A 49 GLN HE21 . 19033 1 573 . 1 1 49 49 GLN HE22 H 1 7.247 0.003 . 1 . . . A 49 GLN HE22 . 19033 1 574 . 1 1 49 49 GLN CA C 13 50.614 0.164 . 1 . . . A 49 GLN CA . 19033 1 575 . 1 1 49 49 GLN CB C 13 29.447 0.164 . 1 . . . A 49 GLN CB . 19033 1 576 . 1 1 49 49 GLN CG C 13 31.724 0.164 . 1 . . . A 49 GLN CG . 19033 1 577 . 1 1 49 49 GLN N N 15 119.154 0.121 . 1 . . . A 49 GLN N . 19033 1 578 . 1 1 49 49 GLN NE2 N 15 111.613 0.121 . 1 . . . A 49 GLN NE2 . 19033 1 579 . 1 1 50 50 GLY H H 1 7.795 0.003 . 1 . . . A 50 GLY H . 19033 1 580 . 1 1 50 50 GLY HA2 H 1 3.700 0.003 . 2 . . . A 50 GLY HA2 . 19033 1 581 . 1 1 50 50 GLY HA3 H 1 2.154 0.003 . 2 . . . A 50 GLY HA3 . 19033 1 582 . 1 1 50 50 GLY CA C 13 42.255 0.164 . 1 . . . A 50 GLY CA . 19033 1 583 . 1 1 50 50 GLY N N 15 108.506 0.121 . 1 . . . A 50 GLY N . 19033 1 584 . 1 1 51 51 LEU H H 1 7.748 0.003 . 1 . . . A 51 LEU H . 19033 1 585 . 1 1 51 51 LEU HA H 1 5.378 0.003 . 1 . . . A 51 LEU HA . 19033 1 586 . 1 1 51 51 LEU HB2 H 1 1.343 0.003 . 2 . . . A 51 LEU HB2 . 19033 1 587 . 1 1 51 51 LEU HB3 H 1 1.721 0.003 . 2 . . . A 51 LEU HB3 . 19033 1 588 . 1 1 51 51 LEU HG H 1 1.674 0.003 . 1 . . . A 51 LEU HG . 19033 1 589 . 1 1 51 51 LEU HD11 H 1 0.643 0.003 . 2 . . . A 51 LEU QD1 . 19033 1 590 . 1 1 51 51 LEU HD12 H 1 0.643 0.003 . 2 . . . A 51 LEU QD1 . 19033 1 591 . 1 1 51 51 LEU HD13 H 1 0.643 0.003 . 2 . . . A 51 LEU QD1 . 19033 1 592 . 1 1 51 51 LEU HD21 H 1 0.946 0.003 . 2 . . . A 51 LEU QD2 . 19033 1 593 . 1 1 51 51 LEU HD22 H 1 0.946 0.003 . 2 . . . A 51 LEU QD2 . 19033 1 594 . 1 1 51 51 LEU HD23 H 1 0.946 0.003 . 2 . . . A 51 LEU QD2 . 19033 1 595 . 1 1 51 51 LEU CA C 13 51.274 0.164 . 1 . . . A 51 LEU CA . 19033 1 596 . 1 1 51 51 LEU CB C 13 43.574 0.164 . 1 . . . A 51 LEU CB . 19033 1 597 . 1 1 51 51 LEU CG C 13 24.275 0.164 . 1 . . . A 51 LEU CG . 19033 1 598 . 1 1 51 51 LEU CD1 C 13 23.742 0.164 . 2 . . . A 51 LEU CD1 . 19033 1 599 . 1 1 51 51 LEU CD2 C 13 22.204 0.164 . 2 . . . A 51 LEU CD2 . 19033 1 600 . 1 1 51 51 LEU N N 15 119.484 0.121 . 1 . . . A 51 LEU N . 19033 1 601 . 1 1 52 52 ILE H H 1 8.802 0.003 . 1 . . . A 52 ILE H . 19033 1 602 . 1 1 52 52 ILE HA H 1 4.645 0.003 . 1 . . . A 52 ILE HA . 19033 1 603 . 1 1 52 52 ILE HB H 1 1.302 0.003 . 1 . . . A 52 ILE HB . 19033 1 604 . 1 1 52 52 ILE HG12 H 1 0.644 0.003 . 2 . . . A 52 ILE HG12 . 19033 1 605 . 1 1 52 52 ILE HG13 H 1 0.366 0.003 . 2 . . . A 52 ILE HG13 . 19033 1 606 . 1 1 52 52 ILE HG21 H 1 0.432 0.003 . 1 . . . A 52 ILE QG2 . 19033 1 607 . 1 1 52 52 ILE HG22 H 1 0.432 0.003 . 1 . . . A 52 ILE QG2 . 19033 1 608 . 1 1 52 52 ILE HG23 H 1 0.432 0.003 . 1 . . . A 52 ILE QG2 . 19033 1 609 . 1 1 52 52 ILE HD11 H 1 -0.827 0.003 . 1 . . . A 52 ILE QD1 . 19033 1 610 . 1 1 52 52 ILE HD12 H 1 -0.827 0.003 . 1 . . . A 52 ILE QD1 . 19033 1 611 . 1 1 52 52 ILE HD13 H 1 -0.827 0.003 . 1 . . . A 52 ILE QD1 . 19033 1 612 . 1 1 52 52 ILE CA C 13 57.340 0.164 . 1 . . . A 52 ILE CA . 19033 1 613 . 1 1 52 52 ILE CB C 13 39.906 0.164 . 1 . . . A 52 ILE CB . 19033 1 614 . 1 1 52 52 ILE CG1 C 13 22.088 0.164 . 1 . . . A 52 ILE CG1 . 19033 1 615 . 1 1 52 52 ILE CG2 C 13 15.815 0.164 . 1 . . . A 52 ILE CG2 . 19033 1 616 . 1 1 52 52 ILE CD1 C 13 11.817 0.164 . 1 . . . A 52 ILE CD1 . 19033 1 617 . 1 1 52 52 ILE N N 15 114.127 0.121 . 1 . . . A 52 ILE N . 19033 1 618 . 1 1 53 53 VAL H H 1 7.495 0.003 . 1 . . . A 53 VAL H . 19033 1 619 . 1 1 53 53 VAL HA H 1 4.018 0.003 . 1 . . . A 53 VAL HA . 19033 1 620 . 1 1 53 53 VAL HB H 1 0.231 0.003 . 1 . . . A 53 VAL HB . 19033 1 621 . 1 1 53 53 VAL HG11 H 1 0.013 0.003 . 2 . . . A 53 VAL QG1 . 19033 1 622 . 1 1 53 53 VAL HG12 H 1 0.013 0.003 . 2 . . . A 53 VAL QG1 . 19033 1 623 . 1 1 53 53 VAL HG13 H 1 0.013 0.003 . 2 . . . A 53 VAL QG1 . 19033 1 624 . 1 1 53 53 VAL HG21 H 1 0.058 0.003 . 2 . . . A 53 VAL QG2 . 19033 1 625 . 1 1 53 53 VAL HG22 H 1 0.058 0.003 . 2 . . . A 53 VAL QG2 . 19033 1 626 . 1 1 53 53 VAL HG23 H 1 0.058 0.003 . 2 . . . A 53 VAL QG2 . 19033 1 627 . 1 1 53 53 VAL CA C 13 56.467 0.164 . 1 . . . A 53 VAL CA . 19033 1 628 . 1 1 53 53 VAL CB C 13 30.327 0.164 . 1 . . . A 53 VAL CB . 19033 1 629 . 1 1 53 53 VAL CG1 C 13 18.468 0.164 . 2 . . . A 53 VAL CG1 . 19033 1 630 . 1 1 53 53 VAL CG2 C 13 17.419 0.164 . 2 . . . A 53 VAL CG2 . 19033 1 631 . 1 1 53 53 VAL N N 15 120.370 0.121 . 1 . . . A 53 VAL N . 19033 1 632 . 1 1 54 54 GLU H H 1 8.104 0.003 . 1 . . . A 54 GLU H . 19033 1 633 . 1 1 54 54 GLU HA H 1 3.590 0.003 . 1 . . . A 54 GLU HA . 19033 1 634 . 1 1 54 54 GLU HB2 H 1 1.849 0.003 . 2 . . . A 54 GLU HB2 . 19033 1 635 . 1 1 54 54 GLU HB3 H 1 1.801 0.003 . 2 . . . A 54 GLU HB3 . 19033 1 636 . 1 1 54 54 GLU HG2 H 1 2.220 0.003 . 2 . . . A 54 GLU HG2 . 19033 1 637 . 1 1 54 54 GLU HG3 H 1 1.999 0.003 . 2 . . . A 54 GLU HG3 . 19033 1 638 . 1 1 54 54 GLU CA C 13 55.564 0.164 . 1 . . . A 54 GLU CA . 19033 1 639 . 1 1 54 54 GLU CB C 13 26.426 0.164 . 1 . . . A 54 GLU CB . 19033 1 640 . 1 1 54 54 GLU CG C 13 32.226 0.164 . 1 . . . A 54 GLU CG . 19033 1 641 . 1 1 54 54 GLU N N 15 122.759 0.121 . 1 . . . A 54 GLU N . 19033 1 642 . 1 1 55 55 ASP H H 1 7.394 0.003 . 1 . . . A 55 ASP H . 19033 1 643 . 1 1 55 55 ASP HA H 1 4.204 0.003 . 1 . . . A 55 ASP HA . 19033 1 644 . 1 1 55 55 ASP HB2 H 1 2.524 0.003 . 2 . . . A 55 ASP HB2 . 19033 1 645 . 1 1 55 55 ASP HB3 H 1 2.126 0.003 . 2 . . . A 55 ASP HB3 . 19033 1 646 . 1 1 55 55 ASP CA C 13 53.286 0.164 . 1 . . . A 55 ASP CA . 19033 1 647 . 1 1 55 55 ASP CB C 13 38.115 0.164 . 1 . . . A 55 ASP CB . 19033 1 648 . 1 1 55 55 ASP N N 15 114.708 0.121 . 1 . . . A 55 ASP N . 19033 1 649 . 1 1 56 56 LEU H H 1 7.121 0.003 . 1 . . . A 56 LEU H . 19033 1 650 . 1 1 56 56 LEU HA H 1 4.398 0.003 . 1 . . . A 56 LEU HA . 19033 1 651 . 1 1 56 56 LEU HB2 H 1 2.106 0.003 . 2 . . . A 56 LEU HB2 . 19033 1 652 . 1 1 56 56 LEU HB3 H 1 1.579 0.003 . 2 . . . A 56 LEU HB3 . 19033 1 653 . 1 1 56 56 LEU HG H 1 1.303 0.003 . 1 . . . A 56 LEU HG . 19033 1 654 . 1 1 56 56 LEU HD11 H 1 0.681 0.003 . 2 . . . A 56 LEU QD1 . 19033 1 655 . 1 1 56 56 LEU HD12 H 1 0.681 0.003 . 2 . . . A 56 LEU QD1 . 19033 1 656 . 1 1 56 56 LEU HD13 H 1 0.681 0.003 . 2 . . . A 56 LEU QD1 . 19033 1 657 . 1 1 56 56 LEU HD21 H 1 0.741 0.003 . 2 . . . A 56 LEU QD2 . 19033 1 658 . 1 1 56 56 LEU HD22 H 1 0.741 0.003 . 2 . . . A 56 LEU QD2 . 19033 1 659 . 1 1 56 56 LEU HD23 H 1 0.741 0.003 . 2 . . . A 56 LEU QD2 . 19033 1 660 . 1 1 56 56 LEU CA C 13 51.899 0.164 . 1 . . . A 56 LEU CA . 19033 1 661 . 1 1 56 56 LEU CB C 13 39.564 0.164 . 1 . . . A 56 LEU CB . 19033 1 662 . 1 1 56 56 LEU CG C 13 25.453 0.164 . 1 . . . A 56 LEU CG . 19033 1 663 . 1 1 56 56 LEU CD1 C 13 23.639 0.164 . 2 . . . A 56 LEU CD1 . 19033 1 664 . 1 1 56 56 LEU CD2 C 13 21.171 0.164 . 2 . . . A 56 LEU CD2 . 19033 1 665 . 1 1 56 56 LEU N N 15 116.100 0.121 . 1 . . . A 56 LEU N . 19033 1 666 . 1 1 57 57 VAL H H 1 7.438 0.003 . 1 . . . A 57 VAL H . 19033 1 667 . 1 1 57 57 VAL HA H 1 5.381 0.003 . 1 . . . A 57 VAL HA . 19033 1 668 . 1 1 57 57 VAL HB H 1 1.711 0.003 . 1 . . . A 57 VAL HB . 19033 1 669 . 1 1 57 57 VAL HG11 H 1 0.478 0.003 . 2 . . . A 57 VAL QG1 . 19033 1 670 . 1 1 57 57 VAL HG12 H 1 0.478 0.003 . 2 . . . A 57 VAL QG1 . 19033 1 671 . 1 1 57 57 VAL HG13 H 1 0.478 0.003 . 2 . . . A 57 VAL QG1 . 19033 1 672 . 1 1 57 57 VAL HG21 H 1 0.169 0.003 . 2 . . . A 57 VAL QG2 . 19033 1 673 . 1 1 57 57 VAL HG22 H 1 0.169 0.003 . 2 . . . A 57 VAL QG2 . 19033 1 674 . 1 1 57 57 VAL HG23 H 1 0.169 0.003 . 2 . . . A 57 VAL QG2 . 19033 1 675 . 1 1 57 57 VAL CA C 13 55.560 0.164 . 1 . . . A 57 VAL CA . 19033 1 676 . 1 1 57 57 VAL CB C 13 33.744 0.164 . 1 . . . A 57 VAL CB . 19033 1 677 . 1 1 57 57 VAL CG1 C 13 15.103 0.164 . 2 . . . A 57 VAL CG1 . 19033 1 678 . 1 1 57 57 VAL CG2 C 13 18.520 0.164 . 2 . . . A 57 VAL CG2 . 19033 1 679 . 1 1 57 57 VAL N N 15 109.850 0.121 . 1 . . . A 57 VAL N . 19033 1 680 . 1 1 58 58 GLU H H 1 8.886 0.003 . 1 . . . A 58 GLU H . 19033 1 681 . 1 1 58 58 GLU HA H 1 4.835 0.003 . 1 . . . A 58 GLU HA . 19033 1 682 . 1 1 58 58 GLU HB2 H 1 1.963 0.003 . 2 . . . A 58 GLU HB2 . 19033 1 683 . 1 1 58 58 GLU HB3 H 1 1.752 0.003 . 2 . . . A 58 GLU HB3 . 19033 1 684 . 1 1 58 58 GLU HG2 H 1 1.982 0.003 . 2 . . . A 58 GLU HG2 . 19033 1 685 . 1 1 58 58 GLU HG3 H 1 2.252 0.003 . 2 . . . A 58 GLU HG3 . 19033 1 686 . 1 1 58 58 GLU CA C 13 50.156 0.164 . 1 . . . A 58 GLU CA . 19033 1 687 . 1 1 58 58 GLU CB C 13 30.354 0.164 . 1 . . . A 58 GLU CB . 19033 1 688 . 1 1 58 58 GLU CG C 13 32.080 0.164 . 1 . . . A 58 GLU CG . 19033 1 689 . 1 1 58 58 GLU N N 15 116.558 0.121 . 1 . . . A 58 GLU N . 19033 1 690 . 1 1 59 59 GLU H H 1 8.659 0.003 . 1 . . . A 59 GLU H . 19033 1 691 . 1 1 59 59 GLU HA H 1 4.229 0.003 . 1 . . . A 59 GLU HA . 19033 1 692 . 1 1 59 59 GLU HB2 H 1 1.950 0.003 . 2 . . . A 59 GLU HB2 . 19033 1 693 . 1 1 59 59 GLU HB3 H 1 1.853 0.003 . 2 . . . A 59 GLU HB3 . 19033 1 694 . 1 1 59 59 GLU HG2 H 1 2.200 0.003 . 2 . . . A 59 GLU HG2 . 19033 1 695 . 1 1 59 59 GLU HG3 H 1 2.259 0.003 . 2 . . . A 59 GLU HG3 . 19033 1 696 . 1 1 59 59 GLU CA C 13 54.417 0.164 . 1 . . . A 59 GLU CA . 19033 1 697 . 1 1 59 59 GLU CB C 13 27.517 0.164 . 1 . . . A 59 GLU CB . 19033 1 698 . 1 1 59 59 GLU CG C 13 33.530 0.164 . 1 . . . A 59 GLU CG . 19033 1 699 . 1 1 59 59 GLU N N 15 121.900 0.121 . 1 . . . A 59 GLU N . 19033 1 700 . 1 1 60 60 VAL H H 1 8.069 0.003 . 1 . . . A 60 VAL H . 19033 1 701 . 1 1 60 60 VAL HA H 1 4.087 0.003 . 1 . . . A 60 VAL HA . 19033 1 702 . 1 1 60 60 VAL HB H 1 1.825 0.003 . 1 . . . A 60 VAL HB . 19033 1 703 . 1 1 60 60 VAL HG11 H 1 0.714 0.003 . 2 . . . A 60 VAL QG1 . 19033 1 704 . 1 1 60 60 VAL HG12 H 1 0.714 0.003 . 2 . . . A 60 VAL QG1 . 19033 1 705 . 1 1 60 60 VAL HG13 H 1 0.714 0.003 . 2 . . . A 60 VAL QG1 . 19033 1 706 . 1 1 60 60 VAL HG21 H 1 0.800 0.003 . 2 . . . A 60 VAL QG2 . 19033 1 707 . 1 1 60 60 VAL HG22 H 1 0.800 0.003 . 2 . . . A 60 VAL QG2 . 19033 1 708 . 1 1 60 60 VAL HG23 H 1 0.800 0.003 . 2 . . . A 60 VAL QG2 . 19033 1 709 . 1 1 60 60 VAL CA C 13 59.466 0.164 . 1 . . . A 60 VAL CA . 19033 1 710 . 1 1 60 60 VAL CB C 13 30.306 0.164 . 1 . . . A 60 VAL CB . 19033 1 711 . 1 1 60 60 VAL CG1 C 13 19.041 0.164 . 2 . . . A 60 VAL CG1 . 19033 1 712 . 1 1 60 60 VAL CG2 C 13 18.623 0.164 . 2 . . . A 60 VAL CG2 . 19033 1 713 . 1 1 60 60 VAL N N 15 122.505 0.121 . 1 . . . A 60 VAL N . 19033 1 714 . 1 1 61 61 GLY H H 1 8.383 0.003 . 1 . . . A 61 GLY H . 19033 1 715 . 1 1 61 61 GLY HA2 H 1 3.959 0.003 . 2 . . . A 61 GLY HA2 . 19033 1 716 . 1 1 61 61 GLY HA3 H 1 3.881 0.003 . 2 . . . A 61 GLY HA3 . 19033 1 717 . 1 1 61 61 GLY CA C 13 42.709 0.164 . 1 . . . A 61 GLY CA . 19033 1 718 . 1 1 61 61 GLY N N 15 112.799 0.121 . 1 . . . A 61 GLY N . 19033 1 719 . 1 1 62 62 ARG H H 1 7.848 0.003 . 1 . . . A 62 ARG H . 19033 1 720 . 1 1 62 62 ARG HA H 1 4.111 0.003 . 1 . . . A 62 ARG HA . 19033 1 721 . 1 1 62 62 ARG HB2 H 1 1.762 0.003 . 2 . . . A 62 ARG HB2 . 19033 1 722 . 1 1 62 62 ARG HB3 H 1 1.613 0.003 . 2 . . . A 62 ARG HB3 . 19033 1 723 . 1 1 62 62 ARG HG2 H 1 1.498 0.003 . 2 . . . A 62 ARG QG . 19033 1 724 . 1 1 62 62 ARG HG3 H 1 1.498 0.003 . 2 . . . A 62 ARG QG . 19033 1 725 . 1 1 62 62 ARG HD2 H 1 3.088 0.003 . 2 . . . A 62 ARG QD . 19033 1 726 . 1 1 62 62 ARG HD3 H 1 3.088 0.003 . 2 . . . A 62 ARG QD . 19033 1 727 . 1 1 62 62 ARG HE H 1 6.892 0.003 . 1 . . . A 62 ARG HE . 19033 1 728 . 1 1 62 62 ARG CA C 13 54.805 0.164 . 1 . . . A 62 ARG CA . 19033 1 729 . 1 1 62 62 ARG CB C 13 28.899 0.164 . 1 . . . A 62 ARG CB . 19033 1 730 . 1 1 62 62 ARG CG C 13 24.620 0.164 . 1 . . . A 62 ARG CG . 19033 1 731 . 1 1 62 62 ARG CD C 13 41.015 0.164 . 1 . . . A 62 ARG CD . 19033 1 732 . 1 1 62 62 ARG N N 15 125.359 0.121 . 1 . . . A 62 ARG N . 19033 1 733 . 1 1 62 62 ARG NE N 15 72.344 0.121 . 1 . . . A 62 ARG NE . 19033 1 stop_ save_