data_11224 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11224 _Entry.Title ; Solution structure of the SH3 domain from Phospholipase C, gamma 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 X. Qin . . . 11224 2 T. Nagashima . . . 11224 3 F. Hayahsi . . . 11224 4 S. Yokoyama . . . 11224 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11224 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11224 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 11224 '15N chemical shifts' 63 11224 '1H chemical shifts' 430 11224 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 . . 2011-08-03 2010-07-23 original author . 11224 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EQI 'BMRB Entry Tracking System' 11224 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11224 _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 'Solution structure of the SH3 domain from Phospholipase C, gamma 2' _Citation.Status 'in preparation' _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 X. Qin . . . 11224 1 2 T. Nagashima . . . 11224 1 3 F. Hayashi . . . 11224 1 4 S. Yokoyama . . . 11224 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11224 _Assembly.ID 1 _Assembly.Name 'Phospholipase C, gamma 2' _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' 1 $entity_1 A . yes native no no . . . 11224 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 2eqi . . . . . . 11224 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11224 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _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 ; GSSGSSGRTVKALYDYKAKR SDELTFCRGALIHNVSKEPG GWWKGDYGTRIQQYFPSNYV EDISGPSSG ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2EQI . "Solution Structure Of The Sh3 Domain From Phospholipase C, Gamma 2" . . . . . 100.00 69 100.00 100.00 7.00e-42 . . . . 11224 1 2 no DBJ BAD92151 . "1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma 2 variant [Homo sapiens]" . . . . . 82.61 1278 98.25 100.00 7.04e-32 . . . . 11224 1 3 no DBJ BAG10628 . "phospholipase C, gamma 2 [synthetic construct]" . . . . . 82.61 1265 98.25 100.00 7.32e-32 . . . . 11224 1 4 no DBJ BAG65485 . "unnamed protein product [Homo sapiens]" . . . . . 82.61 1132 98.25 100.00 8.30e-32 . . . . 11224 1 5 no EMBL CAA32194 . "unnamed protein product [Homo sapiens]" . . . . . 82.61 1252 98.25 100.00 8.15e-32 . . . . 11224 1 6 no GB AAA41896 . "phospholipase C type IV (PLP IV) [Rattus norvegicus]" . . . . . 84.06 1265 98.28 98.28 2.31e-32 . . . . 11224 1 7 no GB AAA60112 . "phospholipase C [Homo sapiens]" . . . . . 82.61 1252 98.25 100.00 8.15e-32 . . . . 11224 1 8 no GB AAH07565 . "PLCG2 protein [Homo sapiens]" . . . . . 82.61 1265 98.25 100.00 7.84e-32 . . . . 11224 1 9 no GB AAH11772 . "PLCG2 protein [Homo sapiens]" . . . . . 82.61 1265 98.25 100.00 7.84e-32 . . . . 11224 1 10 no GB AAH14561 . "PLCG2 protein [Homo sapiens]" . . . . . 82.61 1265 98.25 100.00 7.84e-32 . . . . 11224 1 11 no REF NP_002652 . "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 [Homo sapiens]" . . . . . 82.61 1265 98.25 100.00 7.32e-32 . . . . 11224 1 12 no REF NP_058864 . "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 [Rattus norvegicus]" . . . . . 84.06 1265 98.28 98.28 2.31e-32 . . . . 11224 1 13 no REF NP_758489 . "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 [Mus musculus]" . . . . . 84.06 1265 98.28 98.28 1.96e-32 . . . . 11224 1 14 no REF XP_001148089 . "PREDICTED: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 isoform X1 [Pan troglodytes]" . . . . . 82.61 1265 98.25 100.00 7.32e-32 . . . . 11224 1 15 no REF XP_001502048 . "PREDICTED: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 [Equus caballus]" . . . . . 82.61 1265 98.25 100.00 7.32e-32 . . . . 11224 1 16 no SP P16885 . "RecName: Full=1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2; AltName: Full=Phosphoinositide phospholipase C" . . . . . 82.61 1265 98.25 100.00 7.32e-32 . . . . 11224 1 17 no SP P24135 . "RecName: Full=1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2; AltName: Full=Phosphoinositide phospholipase C" . . . . . 84.06 1265 98.28 98.28 2.31e-32 . . . . 11224 1 18 no SP Q8CIH5 . "RecName: Full=1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2; AltName: Full=Phosphoinositide phospholipase C" . . . . . 84.06 1265 98.28 98.28 1.96e-32 . . . . 11224 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11224 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 . GLY . 11224 1 2 . SER . 11224 1 3 . SER . 11224 1 4 . GLY . 11224 1 5 . SER . 11224 1 6 . SER . 11224 1 7 . GLY . 11224 1 8 . ARG . 11224 1 9 . THR . 11224 1 10 . VAL . 11224 1 11 . LYS . 11224 1 12 . ALA . 11224 1 13 . LEU . 11224 1 14 . TYR . 11224 1 15 . ASP . 11224 1 16 . TYR . 11224 1 17 . LYS . 11224 1 18 . ALA . 11224 1 19 . LYS . 11224 1 20 . ARG . 11224 1 21 . SER . 11224 1 22 . ASP . 11224 1 23 . GLU . 11224 1 24 . LEU . 11224 1 25 . THR . 11224 1 26 . PHE . 11224 1 27 . CYS . 11224 1 28 . ARG . 11224 1 29 . GLY . 11224 1 30 . ALA . 11224 1 31 . LEU . 11224 1 32 . ILE . 11224 1 33 . HIS . 11224 1 34 . ASN . 11224 1 35 . VAL . 11224 1 36 . SER . 11224 1 37 . LYS . 11224 1 38 . GLU . 11224 1 39 . PRO . 11224 1 40 . GLY . 11224 1 41 . GLY . 11224 1 42 . TRP . 11224 1 43 . TRP . 11224 1 44 . LYS . 11224 1 45 . GLY . 11224 1 46 . ASP . 11224 1 47 . TYR . 11224 1 48 . GLY . 11224 1 49 . THR . 11224 1 50 . ARG . 11224 1 51 . ILE . 11224 1 52 . GLN . 11224 1 53 . GLN . 11224 1 54 . TYR . 11224 1 55 . PHE . 11224 1 56 . PRO . 11224 1 57 . SER . 11224 1 58 . ASN . 11224 1 59 . TYR . 11224 1 60 . VAL . 11224 1 61 . GLU . 11224 1 62 . ASP . 11224 1 63 . ILE . 11224 1 64 . SER . 11224 1 65 . GLY . 11224 1 66 . PRO . 11224 1 67 . SER . 11224 1 68 . SER . 11224 1 69 . GLY . 11224 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 11224 1 . SER 2 2 11224 1 . SER 3 3 11224 1 . GLY 4 4 11224 1 . SER 5 5 11224 1 . SER 6 6 11224 1 . GLY 7 7 11224 1 . ARG 8 8 11224 1 . THR 9 9 11224 1 . VAL 10 10 11224 1 . LYS 11 11 11224 1 . ALA 12 12 11224 1 . LEU 13 13 11224 1 . TYR 14 14 11224 1 . ASP 15 15 11224 1 . TYR 16 16 11224 1 . LYS 17 17 11224 1 . ALA 18 18 11224 1 . LYS 19 19 11224 1 . ARG 20 20 11224 1 . SER 21 21 11224 1 . ASP 22 22 11224 1 . GLU 23 23 11224 1 . LEU 24 24 11224 1 . THR 25 25 11224 1 . PHE 26 26 11224 1 . CYS 27 27 11224 1 . ARG 28 28 11224 1 . GLY 29 29 11224 1 . ALA 30 30 11224 1 . LEU 31 31 11224 1 . ILE 32 32 11224 1 . HIS 33 33 11224 1 . ASN 34 34 11224 1 . VAL 35 35 11224 1 . SER 36 36 11224 1 . LYS 37 37 11224 1 . GLU 38 38 11224 1 . PRO 39 39 11224 1 . GLY 40 40 11224 1 . GLY 41 41 11224 1 . TRP 42 42 11224 1 . TRP 43 43 11224 1 . LYS 44 44 11224 1 . GLY 45 45 11224 1 . ASP 46 46 11224 1 . TYR 47 47 11224 1 . GLY 48 48 11224 1 . THR 49 49 11224 1 . ARG 50 50 11224 1 . ILE 51 51 11224 1 . GLN 52 52 11224 1 . GLN 53 53 11224 1 . TYR 54 54 11224 1 . PHE 55 55 11224 1 . PRO 56 56 11224 1 . SER 57 57 11224 1 . ASN 58 58 11224 1 . TYR 59 59 11224 1 . VAL 60 60 11224 1 . GLU 61 61 11224 1 . ASP 62 62 11224 1 . ILE 63 63 11224 1 . SER 64 64 11224 1 . GLY 65 65 11224 1 . PRO 66 66 11224 1 . SER 67 67 11224 1 . SER 68 68 11224 1 . GLY 69 69 11224 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 11224 _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 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11224 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 11224 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050815-04 . . . . . . 11224 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11224 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.06mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.06 . . mM . . . . 11224 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11224 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11224 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11224 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11224 1 6 H2O . . . . . . solvent 90 . . % . . . . 11224 1 7 D2O . . . . . . solvent 10 . . % . . . . 11224 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11224 _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' 120 0.1 mM 11224 1 pH 7.0 0.05 pH 11224 1 pressure 1 0.001 atm 11224 1 temperature 293 0.1 K 11224 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11224 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID varian . . 11224 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11224 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11224 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11224 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11224 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11224 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11224 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11224 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11224 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11224 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11224 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11224 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11224 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11224 5 'structure solution' 11224 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 11224 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11224 _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 Varian INOVA . 800 . . . 11224 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 11224 _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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11224 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11224 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11224 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . . . . . . . . . 11224 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11224 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11224 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11224 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11224 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11224 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11224 1 2 $NMRPipe . . 11224 1 3 $NMRVIEW . . 11224 1 4 $Kujira . . 11224 1 5 $CYANA . . 11224 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 5 5 SER HA H 1 4.520 0.030 . 1 . . . . 5 SER HA . 11224 1 2 . 1 1 5 5 SER HB2 H 1 3.844 0.030 . 1 . . . . 5 SER HB2 . 11224 1 3 . 1 1 5 5 SER HB3 H 1 3.844 0.030 . 1 . . . . 5 SER HB3 . 11224 1 4 . 1 1 5 5 SER C C 13 175.015 0.300 . 1 . . . . 5 SER C . 11224 1 5 . 1 1 5 5 SER CA C 13 58.080 0.300 . 1 . . . . 5 SER CA . 11224 1 6 . 1 1 5 5 SER CB C 13 63.853 0.300 . 1 . . . . 5 SER CB . 11224 1 7 . 1 1 6 6 SER H H 1 8.562 0.030 . 1 . . . . 6 SER H . 11224 1 8 . 1 1 6 6 SER HA H 1 4.467 0.030 . 1 . . . . 6 SER HA . 11224 1 9 . 1 1 6 6 SER HB2 H 1 3.927 0.030 . 1 . . . . 6 SER HB2 . 11224 1 10 . 1 1 6 6 SER HB3 H 1 3.927 0.030 . 1 . . . . 6 SER HB3 . 11224 1 11 . 1 1 6 6 SER C C 13 175.245 0.300 . 1 . . . . 6 SER C . 11224 1 12 . 1 1 6 6 SER CA C 13 58.812 0.300 . 1 . . . . 6 SER CA . 11224 1 13 . 1 1 6 6 SER CB C 13 64.034 0.300 . 1 . . . . 6 SER CB . 11224 1 14 . 1 1 6 6 SER N N 15 118.159 0.300 . 1 . . . . 6 SER N . 11224 1 15 . 1 1 7 7 GLY H H 1 8.500 0.030 . 1 . . . . 7 GLY H . 11224 1 16 . 1 1 7 7 GLY HA2 H 1 4.023 0.030 . 1 . . . . 7 GLY HA2 . 11224 1 17 . 1 1 7 7 GLY HA3 H 1 4.023 0.030 . 1 . . . . 7 GLY HA3 . 11224 1 18 . 1 1 7 7 GLY C C 13 174.094 0.300 . 1 . . . . 7 GLY C . 11224 1 19 . 1 1 7 7 GLY CA C 13 45.803 0.300 . 1 . . . . 7 GLY CA . 11224 1 20 . 1 1 7 7 GLY N N 15 110.237 0.300 . 1 . . . . 7 GLY N . 11224 1 21 . 1 1 8 8 ARG H H 1 8.390 0.030 . 1 . . . . 8 ARG H . 11224 1 22 . 1 1 8 8 ARG HA H 1 4.496 0.030 . 1 . . . . 8 ARG HA . 11224 1 23 . 1 1 8 8 ARG HB2 H 1 1.995 0.030 . 2 . . . . 8 ARG HB2 . 11224 1 24 . 1 1 8 8 ARG HB3 H 1 1.762 0.030 . 2 . . . . 8 ARG HB3 . 11224 1 25 . 1 1 8 8 ARG HD2 H 1 3.138 0.030 . 2 . . . . 8 ARG HD2 . 11224 1 26 . 1 1 8 8 ARG HD3 H 1 3.059 0.030 . 2 . . . . 8 ARG HD3 . 11224 1 27 . 1 1 8 8 ARG HG2 H 1 1.645 0.030 . 2 . . . . 8 ARG HG2 . 11224 1 28 . 1 1 8 8 ARG HG3 H 1 1.464 0.030 . 2 . . . . 8 ARG HG3 . 11224 1 29 . 1 1 8 8 ARG C C 13 174.620 0.300 . 1 . . . . 8 ARG C . 11224 1 30 . 1 1 8 8 ARG CA C 13 55.582 0.300 . 1 . . . . 8 ARG CA . 11224 1 31 . 1 1 8 8 ARG CB C 13 30.635 0.300 . 1 . . . . 8 ARG CB . 11224 1 32 . 1 1 8 8 ARG CD C 13 42.877 0.300 . 1 . . . . 8 ARG CD . 11224 1 33 . 1 1 8 8 ARG CG C 13 27.066 0.300 . 1 . . . . 8 ARG CG . 11224 1 34 . 1 1 8 8 ARG N N 15 120.950 0.300 . 1 . . . . 8 ARG N . 11224 1 35 . 1 1 9 9 THR H H 1 8.410 0.030 . 1 . . . . 9 THR H . 11224 1 36 . 1 1 9 9 THR HA H 1 5.324 0.030 . 1 . . . . 9 THR HA . 11224 1 37 . 1 1 9 9 THR HB H 1 3.853 0.030 . 1 . . . . 9 THR HB . 11224 1 38 . 1 1 9 9 THR HG21 H 1 1.078 0.030 . 1 . . . . 9 THR HG2 . 11224 1 39 . 1 1 9 9 THR HG22 H 1 1.078 0.030 . 1 . . . . 9 THR HG2 . 11224 1 40 . 1 1 9 9 THR HG23 H 1 1.078 0.030 . 1 . . . . 9 THR HG2 . 11224 1 41 . 1 1 9 9 THR C C 13 174.058 0.300 . 1 . . . . 9 THR C . 11224 1 42 . 1 1 9 9 THR CA C 13 61.948 0.300 . 1 . . . . 9 THR CA . 11224 1 43 . 1 1 9 9 THR CB C 13 70.749 0.300 . 1 . . . . 9 THR CB . 11224 1 44 . 1 1 9 9 THR CG2 C 13 22.890 0.300 . 1 . . . . 9 THR CG2 . 11224 1 45 . 1 1 9 9 THR N N 15 120.523 0.300 . 1 . . . . 9 THR N . 11224 1 46 . 1 1 10 10 VAL H H 1 8.851 0.030 . 1 . . . . 10 VAL H . 11224 1 47 . 1 1 10 10 VAL HA H 1 5.046 0.030 . 1 . . . . 10 VAL HA . 11224 1 48 . 1 1 10 10 VAL HB H 1 1.985 0.030 . 1 . . . . 10 VAL HB . 11224 1 49 . 1 1 10 10 VAL HG11 H 1 0.959 0.030 . 1 . . . . 10 VAL HG1 . 11224 1 50 . 1 1 10 10 VAL HG12 H 1 0.959 0.030 . 1 . . . . 10 VAL HG1 . 11224 1 51 . 1 1 10 10 VAL HG13 H 1 0.959 0.030 . 1 . . . . 10 VAL HG1 . 11224 1 52 . 1 1 10 10 VAL HG21 H 1 0.613 0.030 . 1 . . . . 10 VAL HG2 . 11224 1 53 . 1 1 10 10 VAL HG22 H 1 0.613 0.030 . 1 . . . . 10 VAL HG2 . 11224 1 54 . 1 1 10 10 VAL HG23 H 1 0.613 0.030 . 1 . . . . 10 VAL HG2 . 11224 1 55 . 1 1 10 10 VAL C C 13 172.185 0.300 . 1 . . . . 10 VAL C . 11224 1 56 . 1 1 10 10 VAL CA C 13 57.944 0.300 . 1 . . . . 10 VAL CA . 11224 1 57 . 1 1 10 10 VAL CB C 13 35.152 0.300 . 1 . . . . 10 VAL CB . 11224 1 58 . 1 1 10 10 VAL CG1 C 13 20.844 0.300 . 2 . . . . 10 VAL CG1 . 11224 1 59 . 1 1 10 10 VAL CG2 C 13 20.557 0.300 . 2 . . . . 10 VAL CG2 . 11224 1 60 . 1 1 10 10 VAL N N 15 117.705 0.300 . 1 . . . . 10 VAL N . 11224 1 61 . 1 1 11 11 LYS H H 1 8.901 0.030 . 1 . . . . 11 LYS H . 11224 1 62 . 1 1 11 11 LYS HA H 1 5.212 0.030 . 1 . . . . 11 LYS HA . 11224 1 63 . 1 1 11 11 LYS HB2 H 1 1.611 0.030 . 2 . . . . 11 LYS HB2 . 11224 1 64 . 1 1 11 11 LYS HB3 H 1 1.292 0.030 . 2 . . . . 11 LYS HB3 . 11224 1 65 . 1 1 11 11 LYS HD2 H 1 1.587 0.030 . 1 . . . . 11 LYS HD2 . 11224 1 66 . 1 1 11 11 LYS HD3 H 1 1.587 0.030 . 1 . . . . 11 LYS HD3 . 11224 1 67 . 1 1 11 11 LYS HE2 H 1 2.886 0.030 . 2 . . . . 11 LYS HE2 . 11224 1 68 . 1 1 11 11 LYS HE3 H 1 2.827 0.030 . 2 . . . . 11 LYS HE3 . 11224 1 69 . 1 1 11 11 LYS HG2 H 1 1.135 0.030 . 2 . . . . 11 LYS HG2 . 11224 1 70 . 1 1 11 11 LYS HG3 H 1 1.100 0.030 . 2 . . . . 11 LYS HG3 . 11224 1 71 . 1 1 11 11 LYS C C 13 176.259 0.300 . 1 . . . . 11 LYS C . 11224 1 72 . 1 1 11 11 LYS CA C 13 53.193 0.300 . 1 . . . . 11 LYS CA . 11224 1 73 . 1 1 11 11 LYS CB C 13 36.426 0.300 . 1 . . . . 11 LYS CB . 11224 1 74 . 1 1 11 11 LYS CD C 13 29.637 0.300 . 1 . . . . 11 LYS CD . 11224 1 75 . 1 1 11 11 LYS CE C 13 41.767 0.300 . 1 . . . . 11 LYS CE . 11224 1 76 . 1 1 11 11 LYS CG C 13 24.395 0.300 . 1 . . . . 11 LYS CG . 11224 1 77 . 1 1 11 11 LYS N N 15 120.487 0.300 . 1 . . . . 11 LYS N . 11224 1 78 . 1 1 12 12 ALA H H 1 9.111 0.030 . 1 . . . . 12 ALA H . 11224 1 79 . 1 1 12 12 ALA HA H 1 4.363 0.030 . 1 . . . . 12 ALA HA . 11224 1 80 . 1 1 12 12 ALA HB1 H 1 1.359 0.030 . 1 . . . . 12 ALA HB . 11224 1 81 . 1 1 12 12 ALA HB2 H 1 1.359 0.030 . 1 . . . . 12 ALA HB . 11224 1 82 . 1 1 12 12 ALA HB3 H 1 1.359 0.030 . 1 . . . . 12 ALA HB . 11224 1 83 . 1 1 12 12 ALA C C 13 179.071 0.300 . 1 . . . . 12 ALA C . 11224 1 84 . 1 1 12 12 ALA CA C 13 52.653 0.300 . 1 . . . . 12 ALA CA . 11224 1 85 . 1 1 12 12 ALA CB C 13 20.768 0.300 . 1 . . . . 12 ALA CB . 11224 1 86 . 1 1 12 12 ALA N N 15 127.292 0.300 . 1 . . . . 12 ALA N . 11224 1 87 . 1 1 13 13 LEU H H 1 9.615 0.030 . 1 . . . . 13 LEU H . 11224 1 88 . 1 1 13 13 LEU HA H 1 3.957 0.030 . 1 . . . . 13 LEU HA . 11224 1 89 . 1 1 13 13 LEU HB2 H 1 0.495 0.030 . 2 . . . . 13 LEU HB2 . 11224 1 90 . 1 1 13 13 LEU HB3 H 1 0.821 0.030 . 2 . . . . 13 LEU HB3 . 11224 1 91 . 1 1 13 13 LEU HD11 H 1 0.605 0.030 . 1 . . . . 13 LEU HD1 . 11224 1 92 . 1 1 13 13 LEU HD12 H 1 0.605 0.030 . 1 . . . . 13 LEU HD1 . 11224 1 93 . 1 1 13 13 LEU HD13 H 1 0.605 0.030 . 1 . . . . 13 LEU HD1 . 11224 1 94 . 1 1 13 13 LEU HD21 H 1 0.595 0.030 . 1 . . . . 13 LEU HD2 . 11224 1 95 . 1 1 13 13 LEU HD22 H 1 0.595 0.030 . 1 . . . . 13 LEU HD2 . 11224 1 96 . 1 1 13 13 LEU HD23 H 1 0.595 0.030 . 1 . . . . 13 LEU HD2 . 11224 1 97 . 1 1 13 13 LEU HG H 1 1.222 0.030 . 1 . . . . 13 LEU HG . 11224 1 98 . 1 1 13 13 LEU C C 13 175.322 0.300 . 1 . . . . 13 LEU C . 11224 1 99 . 1 1 13 13 LEU CA C 13 55.322 0.300 . 1 . . . . 13 LEU CA . 11224 1 100 . 1 1 13 13 LEU CB C 13 43.460 0.300 . 1 . . . . 13 LEU CB . 11224 1 101 . 1 1 13 13 LEU CD1 C 13 25.369 0.300 . 2 . . . . 13 LEU CD1 . 11224 1 102 . 1 1 13 13 LEU CD2 C 13 22.072 0.300 . 2 . . . . 13 LEU CD2 . 11224 1 103 . 1 1 13 13 LEU CG C 13 26.847 0.300 . 1 . . . . 13 LEU CG . 11224 1 104 . 1 1 13 13 LEU N N 15 126.387 0.300 . 1 . . . . 13 LEU N . 11224 1 105 . 1 1 14 14 TYR H H 1 7.087 0.030 . 1 . . . . 14 TYR H . 11224 1 106 . 1 1 14 14 TYR HA H 1 4.890 0.030 . 1 . . . . 14 TYR HA . 11224 1 107 . 1 1 14 14 TYR HB2 H 1 3.264 0.030 . 2 . . . . 14 TYR HB2 . 11224 1 108 . 1 1 14 14 TYR HB3 H 1 2.454 0.030 . 2 . . . . 14 TYR HB3 . 11224 1 109 . 1 1 14 14 TYR HD1 H 1 6.648 0.030 . 1 . . . . 14 TYR HD1 . 11224 1 110 . 1 1 14 14 TYR HD2 H 1 6.648 0.030 . 1 . . . . 14 TYR HD2 . 11224 1 111 . 1 1 14 14 TYR HE1 H 1 6.622 0.030 . 1 . . . . 14 TYR HE1 . 11224 1 112 . 1 1 14 14 TYR HE2 H 1 6.622 0.030 . 1 . . . . 14 TYR HE2 . 11224 1 113 . 1 1 14 14 TYR C C 13 173.441 0.300 . 1 . . . . 14 TYR C . 11224 1 114 . 1 1 14 14 TYR CA C 13 53.865 0.300 . 1 . . . . 14 TYR CA . 11224 1 115 . 1 1 14 14 TYR CB C 13 42.547 0.300 . 1 . . . . 14 TYR CB . 11224 1 116 . 1 1 14 14 TYR CD1 C 13 133.718 0.300 . 1 . . . . 14 TYR CD1 . 11224 1 117 . 1 1 14 14 TYR CD2 C 13 133.718 0.300 . 1 . . . . 14 TYR CD2 . 11224 1 118 . 1 1 14 14 TYR CE1 C 13 117.436 0.300 . 1 . . . . 14 TYR CE1 . 11224 1 119 . 1 1 14 14 TYR CE2 C 13 117.436 0.300 . 1 . . . . 14 TYR CE2 . 11224 1 120 . 1 1 14 14 TYR N N 15 113.029 0.300 . 1 . . . . 14 TYR N . 11224 1 121 . 1 1 15 15 ASP H H 1 8.385 0.030 . 1 . . . . 15 ASP H . 11224 1 122 . 1 1 15 15 ASP HA H 1 4.676 0.030 . 1 . . . . 15 ASP HA . 11224 1 123 . 1 1 15 15 ASP HB2 H 1 2.802 0.030 . 2 . . . . 15 ASP HB2 . 11224 1 124 . 1 1 15 15 ASP HB3 H 1 2.622 0.030 . 2 . . . . 15 ASP HB3 . 11224 1 125 . 1 1 15 15 ASP C C 13 175.706 0.300 . 1 . . . . 15 ASP C . 11224 1 126 . 1 1 15 15 ASP CA C 13 54.370 0.300 . 1 . . . . 15 ASP CA . 11224 1 127 . 1 1 15 15 ASP CB C 13 41.544 0.300 . 1 . . . . 15 ASP CB . 11224 1 128 . 1 1 15 15 ASP N N 15 118.012 0.300 . 1 . . . . 15 ASP N . 11224 1 129 . 1 1 16 16 TYR H H 1 8.479 0.030 . 1 . . . . 16 TYR H . 11224 1 130 . 1 1 16 16 TYR HA H 1 4.440 0.030 . 1 . . . . 16 TYR HA . 11224 1 131 . 1 1 16 16 TYR HB2 H 1 2.362 0.030 . 2 . . . . 16 TYR HB2 . 11224 1 132 . 1 1 16 16 TYR HB3 H 1 1.084 0.030 . 2 . . . . 16 TYR HB3 . 11224 1 133 . 1 1 16 16 TYR HD1 H 1 6.805 0.030 . 1 . . . . 16 TYR HD1 . 11224 1 134 . 1 1 16 16 TYR HD2 H 1 6.805 0.030 . 1 . . . . 16 TYR HD2 . 11224 1 135 . 1 1 16 16 TYR HE1 H 1 6.931 0.030 . 1 . . . . 16 TYR HE1 . 11224 1 136 . 1 1 16 16 TYR HE2 H 1 6.931 0.030 . 1 . . . . 16 TYR HE2 . 11224 1 137 . 1 1 16 16 TYR C C 13 172.928 0.300 . 1 . . . . 16 TYR C . 11224 1 138 . 1 1 16 16 TYR CA C 13 58.954 0.300 . 1 . . . . 16 TYR CA . 11224 1 139 . 1 1 16 16 TYR CB C 13 42.485 0.300 . 1 . . . . 16 TYR CB . 11224 1 140 . 1 1 16 16 TYR CD1 C 13 133.036 0.300 . 1 . . . . 16 TYR CD1 . 11224 1 141 . 1 1 16 16 TYR CD2 C 13 133.036 0.300 . 1 . . . . 16 TYR CD2 . 11224 1 142 . 1 1 16 16 TYR CE1 C 13 117.787 0.300 . 1 . . . . 16 TYR CE1 . 11224 1 143 . 1 1 16 16 TYR CE2 C 13 117.787 0.300 . 1 . . . . 16 TYR CE2 . 11224 1 144 . 1 1 16 16 TYR N N 15 120.566 0.300 . 1 . . . . 16 TYR N . 11224 1 145 . 1 1 17 17 LYS H H 1 7.054 0.030 . 1 . . . . 17 LYS H . 11224 1 146 . 1 1 17 17 LYS HA H 1 4.299 0.030 . 1 . . . . 17 LYS HA . 11224 1 147 . 1 1 17 17 LYS HB2 H 1 1.479 0.030 . 2 . . . . 17 LYS HB2 . 11224 1 148 . 1 1 17 17 LYS HB3 H 1 1.392 0.030 . 2 . . . . 17 LYS HB3 . 11224 1 149 . 1 1 17 17 LYS HD2 H 1 1.587 0.030 . 1 . . . . 17 LYS HD2 . 11224 1 150 . 1 1 17 17 LYS HD3 H 1 1.587 0.030 . 1 . . . . 17 LYS HD3 . 11224 1 151 . 1 1 17 17 LYS HE2 H 1 2.933 0.030 . 1 . . . . 17 LYS HE2 . 11224 1 152 . 1 1 17 17 LYS HE3 H 1 2.933 0.030 . 1 . . . . 17 LYS HE3 . 11224 1 153 . 1 1 17 17 LYS HG2 H 1 1.246 0.030 . 1 . . . . 17 LYS HG2 . 11224 1 154 . 1 1 17 17 LYS HG3 H 1 1.246 0.030 . 1 . . . . 17 LYS HG3 . 11224 1 155 . 1 1 17 17 LYS C C 13 173.293 0.300 . 1 . . . . 17 LYS C . 11224 1 156 . 1 1 17 17 LYS CA C 13 53.981 0.300 . 1 . . . . 17 LYS CA . 11224 1 157 . 1 1 17 17 LYS CB C 13 33.803 0.300 . 1 . . . . 17 LYS CB . 11224 1 158 . 1 1 17 17 LYS CD C 13 29.174 0.300 . 1 . . . . 17 LYS CD . 11224 1 159 . 1 1 17 17 LYS CE C 13 42.118 0.300 . 1 . . . . 17 LYS CE . 11224 1 160 . 1 1 17 17 LYS CG C 13 24.747 0.300 . 1 . . . . 17 LYS CG . 11224 1 161 . 1 1 17 17 LYS N N 15 128.095 0.300 . 1 . . . . 17 LYS N . 11224 1 162 . 1 1 18 18 ALA H H 1 7.737 0.030 . 1 . . . . 18 ALA H . 11224 1 163 . 1 1 18 18 ALA HA H 1 4.237 0.030 . 1 . . . . 18 ALA HA . 11224 1 164 . 1 1 18 18 ALA HB1 H 1 1.377 0.030 . 1 . . . . 18 ALA HB . 11224 1 165 . 1 1 18 18 ALA HB2 H 1 1.377 0.030 . 1 . . . . 18 ALA HB . 11224 1 166 . 1 1 18 18 ALA HB3 H 1 1.377 0.030 . 1 . . . . 18 ALA HB . 11224 1 167 . 1 1 18 18 ALA C C 13 179.006 0.300 . 1 . . . . 18 ALA C . 11224 1 168 . 1 1 18 18 ALA CA C 13 53.450 0.300 . 1 . . . . 18 ALA CA . 11224 1 169 . 1 1 18 18 ALA CB C 13 21.226 0.300 . 1 . . . . 18 ALA CB . 11224 1 170 . 1 1 18 18 ALA N N 15 126.248 0.300 . 1 . . . . 18 ALA N . 11224 1 171 . 1 1 19 19 LYS H H 1 9.020 0.030 . 1 . . . . 19 LYS H . 11224 1 172 . 1 1 19 19 LYS HA H 1 4.390 0.030 . 1 . . . . 19 LYS HA . 11224 1 173 . 1 1 19 19 LYS HB2 H 1 1.973 0.030 . 1 . . . . 19 LYS HB2 . 11224 1 174 . 1 1 19 19 LYS HB3 H 1 1.973 0.030 . 1 . . . . 19 LYS HB3 . 11224 1 175 . 1 1 19 19 LYS HD2 H 1 1.762 0.030 . 1 . . . . 19 LYS HD2 . 11224 1 176 . 1 1 19 19 LYS HD3 H 1 1.762 0.030 . 1 . . . . 19 LYS HD3 . 11224 1 177 . 1 1 19 19 LYS HE2 H 1 3.091 0.030 . 1 . . . . 19 LYS HE2 . 11224 1 178 . 1 1 19 19 LYS HE3 H 1 3.091 0.030 . 1 . . . . 19 LYS HE3 . 11224 1 179 . 1 1 19 19 LYS HG2 H 1 1.522 0.030 . 2 . . . . 19 LYS HG2 . 11224 1 180 . 1 1 19 19 LYS HG3 H 1 1.628 0.030 . 2 . . . . 19 LYS HG3 . 11224 1 181 . 1 1 19 19 LYS C C 13 176.105 0.300 . 1 . . . . 19 LYS C . 11224 1 182 . 1 1 19 19 LYS CA C 13 55.409 0.300 . 1 . . . . 19 LYS CA . 11224 1 183 . 1 1 19 19 LYS CB C 13 33.563 0.300 . 1 . . . . 19 LYS CB . 11224 1 184 . 1 1 19 19 LYS CD C 13 28.672 0.300 . 1 . . . . 19 LYS CD . 11224 1 185 . 1 1 19 19 LYS CE C 13 42.412 0.300 . 1 . . . . 19 LYS CE . 11224 1 186 . 1 1 19 19 LYS CG C 13 24.904 0.300 . 1 . . . . 19 LYS CG . 11224 1 187 . 1 1 19 19 LYS N N 15 120.613 0.300 . 1 . . . . 19 LYS N . 11224 1 188 . 1 1 20 20 ARG H H 1 7.212 0.030 . 1 . . . . 20 ARG H . 11224 1 189 . 1 1 20 20 ARG HA H 1 4.608 0.030 . 1 . . . . 20 ARG HA . 11224 1 190 . 1 1 20 20 ARG HB2 H 1 1.386 0.030 . 2 . . . . 20 ARG HB2 . 11224 1 191 . 1 1 20 20 ARG HB3 H 1 1.542 0.030 . 2 . . . . 20 ARG HB3 . 11224 1 192 . 1 1 20 20 ARG HD2 H 1 3.150 0.030 . 1 . . . . 20 ARG HD2 . 11224 1 193 . 1 1 20 20 ARG HD3 H 1 3.150 0.030 . 1 . . . . 20 ARG HD3 . 11224 1 194 . 1 1 20 20 ARG HG2 H 1 1.615 0.030 . 1 . . . . 20 ARG HG2 . 11224 1 195 . 1 1 20 20 ARG HG3 H 1 1.615 0.030 . 1 . . . . 20 ARG HG3 . 11224 1 196 . 1 1 20 20 ARG C C 13 177.579 0.300 . 1 . . . . 20 ARG C . 11224 1 197 . 1 1 20 20 ARG CA C 13 54.257 0.300 . 1 . . . . 20 ARG CA . 11224 1 198 . 1 1 20 20 ARG CB C 13 35.479 0.300 . 1 . . . . 20 ARG CB . 11224 1 199 . 1 1 20 20 ARG CD C 13 43.307 0.300 . 1 . . . . 20 ARG CD . 11224 1 200 . 1 1 20 20 ARG CG C 13 26.774 0.300 . 1 . . . . 20 ARG CG . 11224 1 201 . 1 1 20 20 ARG N N 15 116.347 0.300 . 1 . . . . 20 ARG N . 11224 1 202 . 1 1 21 21 SER H H 1 8.883 0.030 . 1 . . . . 21 SER H . 11224 1 203 . 1 1 22 22 ASP H H 1 7.357 0.030 . 1 . . . . 22 ASP H . 11224 1 204 . 1 1 22 22 ASP HA H 1 4.468 0.030 . 1 . . . . 22 ASP HA . 11224 1 205 . 1 1 22 22 ASP HB2 H 1 2.756 0.030 . 2 . . . . 22 ASP HB2 . 11224 1 206 . 1 1 22 22 ASP HB3 H 1 2.674 0.030 . 2 . . . . 22 ASP HB3 . 11224 1 207 . 1 1 22 22 ASP CA C 13 54.915 0.300 . 1 . . . . 22 ASP CA . 11224 1 208 . 1 1 22 22 ASP CB C 13 40.373 0.300 . 1 . . . . 22 ASP CB . 11224 1 209 . 1 1 22 22 ASP N N 15 115.528 0.300 . 1 . . . . 22 ASP N . 11224 1 210 . 1 1 23 23 GLU H H 1 9.066 0.030 . 1 . . . . 23 GLU H . 11224 1 211 . 1 1 23 23 GLU HA H 1 5.558 0.030 . 1 . . . . 23 GLU HA . 11224 1 212 . 1 1 23 23 GLU HB2 H 1 2.667 0.030 . 2 . . . . 23 GLU HB2 . 11224 1 213 . 1 1 23 23 GLU HB3 H 1 2.321 0.030 . 2 . . . . 23 GLU HB3 . 11224 1 214 . 1 1 23 23 GLU HG2 H 1 2.275 0.030 . 2 . . . . 23 GLU HG2 . 11224 1 215 . 1 1 23 23 GLU HG3 H 1 2.238 0.030 . 2 . . . . 23 GLU HG3 . 11224 1 216 . 1 1 23 23 GLU C C 13 177.718 0.300 . 1 . . . . 23 GLU C . 11224 1 217 . 1 1 23 23 GLU CA C 13 54.124 0.300 . 1 . . . . 23 GLU CA . 11224 1 218 . 1 1 23 23 GLU CB C 13 33.813 0.300 . 1 . . . . 23 GLU CB . 11224 1 219 . 1 1 23 23 GLU CG C 13 36.924 0.300 . 1 . . . . 23 GLU CG . 11224 1 220 . 1 1 24 24 LEU H H 1 8.849 0.030 . 1 . . . . 24 LEU H . 11224 1 221 . 1 1 24 24 LEU HA H 1 4.518 0.030 . 1 . . . . 24 LEU HA . 11224 1 222 . 1 1 24 24 LEU HB2 H 1 1.997 0.030 . 2 . . . . 24 LEU HB2 . 11224 1 223 . 1 1 24 24 LEU HB3 H 1 1.640 0.030 . 2 . . . . 24 LEU HB3 . 11224 1 224 . 1 1 24 24 LEU HD11 H 1 1.117 0.030 . 1 . . . . 24 LEU HD1 . 11224 1 225 . 1 1 24 24 LEU HD12 H 1 1.117 0.030 . 1 . . . . 24 LEU HD1 . 11224 1 226 . 1 1 24 24 LEU HD13 H 1 1.117 0.030 . 1 . . . . 24 LEU HD1 . 11224 1 227 . 1 1 24 24 LEU HD21 H 1 0.760 0.030 . 1 . . . . 24 LEU HD2 . 11224 1 228 . 1 1 24 24 LEU HD22 H 1 0.760 0.030 . 1 . . . . 24 LEU HD2 . 11224 1 229 . 1 1 24 24 LEU HD23 H 1 0.760 0.030 . 1 . . . . 24 LEU HD2 . 11224 1 230 . 1 1 24 24 LEU HG H 1 1.823 0.030 . 1 . . . . 24 LEU HG . 11224 1 231 . 1 1 24 24 LEU C C 13 174.640 0.300 . 1 . . . . 24 LEU C . 11224 1 232 . 1 1 24 24 LEU CA C 13 54.676 0.300 . 1 . . . . 24 LEU CA . 11224 1 233 . 1 1 24 24 LEU CB C 13 45.750 0.300 . 1 . . . . 24 LEU CB . 11224 1 234 . 1 1 24 24 LEU CD1 C 13 25.002 0.300 . 2 . . . . 24 LEU CD1 . 11224 1 235 . 1 1 24 24 LEU CD2 C 13 26.394 0.300 . 2 . . . . 24 LEU CD2 . 11224 1 236 . 1 1 24 24 LEU CG C 13 26.909 0.300 . 1 . . . . 24 LEU CG . 11224 1 237 . 1 1 24 24 LEU N N 15 119.684 0.300 . 1 . . . . 24 LEU N . 11224 1 238 . 1 1 25 25 THR H H 1 7.387 0.030 . 1 . . . . 25 THR H . 11224 1 239 . 1 1 25 25 THR HA H 1 4.798 0.030 . 1 . . . . 25 THR HA . 11224 1 240 . 1 1 25 25 THR HB H 1 4.001 0.030 . 1 . . . . 25 THR HB . 11224 1 241 . 1 1 25 25 THR HG21 H 1 1.378 0.030 . 1 . . . . 25 THR HG2 . 11224 1 242 . 1 1 25 25 THR HG22 H 1 1.378 0.030 . 1 . . . . 25 THR HG2 . 11224 1 243 . 1 1 25 25 THR HG23 H 1 1.378 0.030 . 1 . . . . 25 THR HG2 . 11224 1 244 . 1 1 25 25 THR C C 13 174.577 0.300 . 1 . . . . 25 THR C . 11224 1 245 . 1 1 25 25 THR CA C 13 61.791 0.300 . 1 . . . . 25 THR CA . 11224 1 246 . 1 1 25 25 THR CB C 13 71.941 0.300 . 1 . . . . 25 THR CB . 11224 1 247 . 1 1 25 25 THR CG2 C 13 22.005 0.300 . 1 . . . . 25 THR CG2 . 11224 1 248 . 1 1 25 25 THR N N 15 112.717 0.300 . 1 . . . . 25 THR N . 11224 1 249 . 1 1 26 26 PHE H H 1 8.691 0.030 . 1 . . . . 26 PHE H . 11224 1 250 . 1 1 26 26 PHE HA H 1 5.008 0.030 . 1 . . . . 26 PHE HA . 11224 1 251 . 1 1 26 26 PHE HB2 H 1 2.466 0.030 . 2 . . . . 26 PHE HB2 . 11224 1 252 . 1 1 26 26 PHE HB3 H 1 2.588 0.030 . 2 . . . . 26 PHE HB3 . 11224 1 253 . 1 1 26 26 PHE HD1 H 1 6.623 0.030 . 1 . . . . 26 PHE HD1 . 11224 1 254 . 1 1 26 26 PHE HD2 H 1 6.623 0.030 . 1 . . . . 26 PHE HD2 . 11224 1 255 . 1 1 26 26 PHE HE1 H 1 7.221 0.030 . 1 . . . . 26 PHE HE1 . 11224 1 256 . 1 1 26 26 PHE HE2 H 1 7.221 0.030 . 1 . . . . 26 PHE HE2 . 11224 1 257 . 1 1 26 26 PHE HZ H 1 6.660 0.030 . 1 . . . . 26 PHE HZ . 11224 1 258 . 1 1 26 26 PHE C C 13 173.748 0.300 . 1 . . . . 26 PHE C . 11224 1 259 . 1 1 26 26 PHE CA C 13 55.572 0.300 . 1 . . . . 26 PHE CA . 11224 1 260 . 1 1 26 26 PHE CB C 13 39.766 0.300 . 1 . . . . 26 PHE CB . 11224 1 261 . 1 1 26 26 PHE CD1 C 13 132.500 0.300 . 1 . . . . 26 PHE CD1 . 11224 1 262 . 1 1 26 26 PHE CD2 C 13 132.500 0.300 . 1 . . . . 26 PHE CD2 . 11224 1 263 . 1 1 26 26 PHE CE1 C 13 130.870 0.300 . 1 . . . . 26 PHE CE1 . 11224 1 264 . 1 1 26 26 PHE CE2 C 13 130.870 0.300 . 1 . . . . 26 PHE CE2 . 11224 1 265 . 1 1 26 26 PHE CZ C 13 128.000 0.300 . 1 . . . . 26 PHE CZ . 11224 1 266 . 1 1 26 26 PHE N N 15 120.469 0.300 . 1 . . . . 26 PHE N . 11224 1 267 . 1 1 27 27 CYS H H 1 7.999 0.030 . 1 . . . . 27 CYS H . 11224 1 268 . 1 1 27 27 CYS HA H 1 5.200 0.030 . 1 . . . . 27 CYS HA . 11224 1 269 . 1 1 27 27 CYS HB2 H 1 3.045 0.030 . 2 . . . . 27 CYS HB2 . 11224 1 270 . 1 1 27 27 CYS HB3 H 1 2.967 0.030 . 2 . . . . 27 CYS HB3 . 11224 1 271 . 1 1 27 27 CYS C C 13 173.632 0.300 . 1 . . . . 27 CYS C . 11224 1 272 . 1 1 27 27 CYS CA C 13 55.560 0.300 . 1 . . . . 27 CYS CA . 11224 1 273 . 1 1 27 27 CYS CB C 13 31.388 0.300 . 1 . . . . 27 CYS CB . 11224 1 274 . 1 1 27 27 CYS N N 15 116.804 0.300 . 1 . . . . 27 CYS N . 11224 1 275 . 1 1 28 28 ARG H H 1 9.050 0.030 . 1 . . . . 28 ARG H . 11224 1 276 . 1 1 28 28 ARG HA H 1 3.327 0.030 . 1 . . . . 28 ARG HA . 11224 1 277 . 1 1 28 28 ARG HB2 H 1 1.649 0.030 . 2 . . . . 28 ARG HB2 . 11224 1 278 . 1 1 28 28 ARG HB3 H 1 1.526 0.030 . 2 . . . . 28 ARG HB3 . 11224 1 279 . 1 1 28 28 ARG HD2 H 1 3.221 0.030 . 2 . . . . 28 ARG HD2 . 11224 1 280 . 1 1 28 28 ARG HD3 H 1 3.155 0.030 . 2 . . . . 28 ARG HD3 . 11224 1 281 . 1 1 28 28 ARG HG2 H 1 1.392 0.030 . 1 . . . . 28 ARG HG2 . 11224 1 282 . 1 1 28 28 ARG HG3 H 1 1.392 0.030 . 1 . . . . 28 ARG HG3 . 11224 1 283 . 1 1 28 28 ARG C C 13 176.244 0.300 . 1 . . . . 28 ARG C . 11224 1 284 . 1 1 28 28 ARG CA C 13 58.291 0.300 . 1 . . . . 28 ARG CA . 11224 1 285 . 1 1 28 28 ARG CB C 13 30.168 0.300 . 1 . . . . 28 ARG CB . 11224 1 286 . 1 1 28 28 ARG CD C 13 43.509 0.300 . 1 . . . . 28 ARG CD . 11224 1 287 . 1 1 28 28 ARG CG C 13 26.663 0.300 . 1 . . . . 28 ARG CG . 11224 1 288 . 1 1 28 28 ARG N N 15 120.972 0.300 . 1 . . . . 28 ARG N . 11224 1 289 . 1 1 29 29 GLY H H 1 8.827 0.030 . 1 . . . . 29 GLY H . 11224 1 290 . 1 1 29 29 GLY HA2 H 1 4.415 0.030 . 2 . . . . 29 GLY HA2 . 11224 1 291 . 1 1 29 29 GLY HA3 H 1 3.345 0.030 . 2 . . . . 29 GLY HA3 . 11224 1 292 . 1 1 29 29 GLY C C 13 173.414 0.300 . 1 . . . . 29 GLY C . 11224 1 293 . 1 1 29 29 GLY CA C 13 44.700 0.300 . 1 . . . . 29 GLY CA . 11224 1 294 . 1 1 29 29 GLY N N 15 115.186 0.300 . 1 . . . . 29 GLY N . 11224 1 295 . 1 1 30 30 ALA H H 1 7.950 0.030 . 1 . . . . 30 ALA H . 11224 1 296 . 1 1 30 30 ALA HA H 1 4.157 0.030 . 1 . . . . 30 ALA HA . 11224 1 297 . 1 1 30 30 ALA HB1 H 1 1.247 0.030 . 1 . . . . 30 ALA HB . 11224 1 298 . 1 1 30 30 ALA HB2 H 1 1.247 0.030 . 1 . . . . 30 ALA HB . 11224 1 299 . 1 1 30 30 ALA HB3 H 1 1.247 0.030 . 1 . . . . 30 ALA HB . 11224 1 300 . 1 1 30 30 ALA C C 13 175.691 0.300 . 1 . . . . 30 ALA C . 11224 1 301 . 1 1 30 30 ALA CA C 13 52.921 0.300 . 1 . . . . 30 ALA CA . 11224 1 302 . 1 1 30 30 ALA CB C 13 19.595 0.300 . 1 . . . . 30 ALA CB . 11224 1 303 . 1 1 30 30 ALA N N 15 123.388 0.300 . 1 . . . . 30 ALA N . 11224 1 304 . 1 1 31 31 LEU H H 1 8.113 0.030 . 1 . . . . 31 LEU H . 11224 1 305 . 1 1 31 31 LEU HA H 1 5.004 0.030 . 1 . . . . 31 LEU HA . 11224 1 306 . 1 1 31 31 LEU HB2 H 1 1.772 0.030 . 2 . . . . 31 LEU HB2 . 11224 1 307 . 1 1 31 31 LEU HB3 H 1 0.838 0.030 . 2 . . . . 31 LEU HB3 . 11224 1 308 . 1 1 31 31 LEU HD11 H 1 0.969 0.030 . 1 . . . . 31 LEU HD1 . 11224 1 309 . 1 1 31 31 LEU HD12 H 1 0.969 0.030 . 1 . . . . 31 LEU HD1 . 11224 1 310 . 1 1 31 31 LEU HD13 H 1 0.969 0.030 . 1 . . . . 31 LEU HD1 . 11224 1 311 . 1 1 31 31 LEU HD21 H 1 0.738 0.030 . 1 . . . . 31 LEU HD2 . 11224 1 312 . 1 1 31 31 LEU HD22 H 1 0.738 0.030 . 1 . . . . 31 LEU HD2 . 11224 1 313 . 1 1 31 31 LEU HD23 H 1 0.738 0.030 . 1 . . . . 31 LEU HD2 . 11224 1 314 . 1 1 31 31 LEU HG H 1 1.727 0.030 . 1 . . . . 31 LEU HG . 11224 1 315 . 1 1 31 31 LEU C C 13 175.043 0.300 . 1 . . . . 31 LEU C . 11224 1 316 . 1 1 31 31 LEU CA C 13 53.189 0.300 . 1 . . . . 31 LEU CA . 11224 1 317 . 1 1 31 31 LEU CB C 13 42.581 0.300 . 1 . . . . 31 LEU CB . 11224 1 318 . 1 1 31 31 LEU CD1 C 13 25.450 0.300 . 2 . . . . 31 LEU CD1 . 11224 1 319 . 1 1 31 31 LEU CD2 C 13 23.223 0.300 . 2 . . . . 31 LEU CD2 . 11224 1 320 . 1 1 31 31 LEU CG C 13 26.986 0.300 . 1 . . . . 31 LEU CG . 11224 1 321 . 1 1 31 31 LEU N N 15 119.873 0.300 . 1 . . . . 31 LEU N . 11224 1 322 . 1 1 32 32 ILE H H 1 8.270 0.030 . 1 . . . . 32 ILE H . 11224 1 323 . 1 1 32 32 ILE HA H 1 4.214 0.030 . 1 . . . . 32 ILE HA . 11224 1 324 . 1 1 32 32 ILE HB H 1 0.826 0.030 . 1 . . . . 32 ILE HB . 11224 1 325 . 1 1 32 32 ILE HD11 H 1 -1.037 0.030 . 1 . . . . 32 ILE HD1 . 11224 1 326 . 1 1 32 32 ILE HD12 H 1 -1.037 0.030 . 1 . . . . 32 ILE HD1 . 11224 1 327 . 1 1 32 32 ILE HD13 H 1 -1.037 0.030 . 1 . . . . 32 ILE HD1 . 11224 1 328 . 1 1 32 32 ILE HG12 H 1 -0.117 0.030 . 2 . . . . 32 ILE HG12 . 11224 1 329 . 1 1 32 32 ILE HG13 H 1 0.493 0.030 . 2 . . . . 32 ILE HG13 . 11224 1 330 . 1 1 32 32 ILE HG21 H 1 0.320 0.030 . 1 . . . . 32 ILE HG2 . 11224 1 331 . 1 1 32 32 ILE HG22 H 1 0.320 0.030 . 1 . . . . 32 ILE HG2 . 11224 1 332 . 1 1 32 32 ILE HG23 H 1 0.320 0.030 . 1 . . . . 32 ILE HG2 . 11224 1 333 . 1 1 32 32 ILE C C 13 174.969 0.300 . 1 . . . . 32 ILE C . 11224 1 334 . 1 1 32 32 ILE CA C 13 60.369 0.300 . 1 . . . . 32 ILE CA . 11224 1 335 . 1 1 32 32 ILE CB C 13 39.237 0.300 . 1 . . . . 32 ILE CB . 11224 1 336 . 1 1 32 32 ILE CD1 C 13 12.295 0.300 . 1 . . . . 32 ILE CD1 . 11224 1 337 . 1 1 32 32 ILE CG1 C 13 27.228 0.300 . 1 . . . . 32 ILE CG1 . 11224 1 338 . 1 1 32 32 ILE CG2 C 13 18.237 0.300 . 1 . . . . 32 ILE CG2 . 11224 1 339 . 1 1 32 32 ILE N N 15 124.151 0.300 . 1 . . . . 32 ILE N . 11224 1 340 . 1 1 33 33 HIS H H 1 8.588 0.030 . 1 . . . . 33 HIS H . 11224 1 341 . 1 1 33 33 HIS HA H 1 5.095 0.030 . 1 . . . . 33 HIS HA . 11224 1 342 . 1 1 33 33 HIS HB2 H 1 3.199 0.030 . 2 . . . . 33 HIS HB2 . 11224 1 343 . 1 1 33 33 HIS HB3 H 1 2.896 0.030 . 2 . . . . 33 HIS HB3 . 11224 1 344 . 1 1 33 33 HIS HD2 H 1 7.123 0.030 . 1 . . . . 33 HIS HD2 . 11224 1 345 . 1 1 33 33 HIS HE1 H 1 7.817 0.030 . 1 . . . . 33 HIS HE1 . 11224 1 346 . 1 1 33 33 HIS C C 13 175.150 0.300 . 1 . . . . 33 HIS C . 11224 1 347 . 1 1 33 33 HIS CA C 13 55.880 0.300 . 1 . . . . 33 HIS CA . 11224 1 348 . 1 1 33 33 HIS CB C 13 34.710 0.300 . 1 . . . . 33 HIS CB . 11224 1 349 . 1 1 33 33 HIS CD2 C 13 120.430 0.300 . 1 . . . . 33 HIS CD2 . 11224 1 350 . 1 1 33 33 HIS CE1 C 13 137.900 0.300 . 1 . . . . 33 HIS CE1 . 11224 1 351 . 1 1 33 33 HIS N N 15 123.038 0.300 . 1 . . . . 33 HIS N . 11224 1 352 . 1 1 34 34 ASN H H 1 9.448 0.030 . 1 . . . . 34 ASN H . 11224 1 353 . 1 1 34 34 ASN HA H 1 4.247 0.030 . 1 . . . . 34 ASN HA . 11224 1 354 . 1 1 34 34 ASN HB2 H 1 2.770 0.030 . 1 . . . . 34 ASN HB2 . 11224 1 355 . 1 1 34 34 ASN HB3 H 1 2.770 0.030 . 1 . . . . 34 ASN HB3 . 11224 1 356 . 1 1 34 34 ASN HD21 H 1 6.913 0.030 . 2 . . . . 34 ASN HD21 . 11224 1 357 . 1 1 34 34 ASN HD22 H 1 8.032 0.030 . 2 . . . . 34 ASN HD22 . 11224 1 358 . 1 1 34 34 ASN C C 13 175.589 0.300 . 1 . . . . 34 ASN C . 11224 1 359 . 1 1 34 34 ASN CA C 13 54.037 0.300 . 1 . . . . 34 ASN CA . 11224 1 360 . 1 1 34 34 ASN CB C 13 36.881 0.300 . 1 . . . . 34 ASN CB . 11224 1 361 . 1 1 34 34 ASN N N 15 117.406 0.300 . 1 . . . . 34 ASN N . 11224 1 362 . 1 1 34 34 ASN ND2 N 15 115.695 0.300 . 1 . . . . 34 ASN ND2 . 11224 1 363 . 1 1 35 35 VAL H H 1 9.059 0.030 . 1 . . . . 35 VAL H . 11224 1 364 . 1 1 35 35 VAL HA H 1 4.663 0.030 . 1 . . . . 35 VAL HA . 11224 1 365 . 1 1 35 35 VAL HB H 1 1.735 0.030 . 1 . . . . 35 VAL HB . 11224 1 366 . 1 1 35 35 VAL HG11 H 1 1.097 0.030 . 1 . . . . 35 VAL HG1 . 11224 1 367 . 1 1 35 35 VAL HG12 H 1 1.097 0.030 . 1 . . . . 35 VAL HG1 . 11224 1 368 . 1 1 35 35 VAL HG13 H 1 1.097 0.030 . 1 . . . . 35 VAL HG1 . 11224 1 369 . 1 1 35 35 VAL HG21 H 1 0.825 0.030 . 1 . . . . 35 VAL HG2 . 11224 1 370 . 1 1 35 35 VAL HG22 H 1 0.825 0.030 . 1 . . . . 35 VAL HG2 . 11224 1 371 . 1 1 35 35 VAL HG23 H 1 0.825 0.030 . 1 . . . . 35 VAL HG2 . 11224 1 372 . 1 1 35 35 VAL C C 13 177.758 0.300 . 1 . . . . 35 VAL C . 11224 1 373 . 1 1 35 35 VAL CA C 13 63.834 0.300 . 1 . . . . 35 VAL CA . 11224 1 374 . 1 1 35 35 VAL CB C 13 32.146 0.300 . 1 . . . . 35 VAL CB . 11224 1 375 . 1 1 35 35 VAL CG1 C 13 24.710 0.300 . 2 . . . . 35 VAL CG1 . 11224 1 376 . 1 1 35 35 VAL CG2 C 13 22.480 0.300 . 2 . . . . 35 VAL CG2 . 11224 1 377 . 1 1 35 35 VAL N N 15 118.624 0.300 . 1 . . . . 35 VAL N . 11224 1 378 . 1 1 36 36 SER H H 1 9.426 0.030 . 1 . . . . 36 SER H . 11224 1 379 . 1 1 36 36 SER HA H 1 4.567 0.030 . 1 . . . . 36 SER HA . 11224 1 380 . 1 1 36 36 SER HB2 H 1 3.830 0.030 . 2 . . . . 36 SER HB2 . 11224 1 381 . 1 1 36 36 SER HB3 H 1 3.749 0.030 . 2 . . . . 36 SER HB3 . 11224 1 382 . 1 1 36 36 SER C C 13 174.089 0.300 . 1 . . . . 36 SER C . 11224 1 383 . 1 1 36 36 SER CA C 13 56.533 0.300 . 1 . . . . 36 SER CA . 11224 1 384 . 1 1 36 36 SER CB C 13 63.828 0.300 . 1 . . . . 36 SER CB . 11224 1 385 . 1 1 36 36 SER N N 15 124.576 0.300 . 1 . . . . 36 SER N . 11224 1 386 . 1 1 37 37 LYS H H 1 8.382 0.030 . 1 . . . . 37 LYS H . 11224 1 387 . 1 1 37 37 LYS HA H 1 2.889 0.030 . 1 . . . . 37 LYS HA . 11224 1 388 . 1 1 37 37 LYS HB2 H 1 1.265 0.030 . 2 . . . . 37 LYS HB2 . 11224 1 389 . 1 1 37 37 LYS HB3 H 1 0.876 0.030 . 2 . . . . 37 LYS HB3 . 11224 1 390 . 1 1 37 37 LYS HD2 H 1 0.970 0.030 . 2 . . . . 37 LYS HD2 . 11224 1 391 . 1 1 37 37 LYS HD3 H 1 1.179 0.030 . 2 . . . . 37 LYS HD3 . 11224 1 392 . 1 1 37 37 LYS HE2 H 1 2.072 0.030 . 2 . . . . 37 LYS HE2 . 11224 1 393 . 1 1 37 37 LYS HE3 H 1 2.294 0.030 . 2 . . . . 37 LYS HE3 . 11224 1 394 . 1 1 37 37 LYS HG2 H 1 -1.180 0.030 . 2 . . . . 37 LYS HG2 . 11224 1 395 . 1 1 37 37 LYS HG3 H 1 0.522 0.030 . 2 . . . . 37 LYS HG3 . 11224 1 396 . 1 1 37 37 LYS C C 13 175.669 0.300 . 1 . . . . 37 LYS C . 11224 1 397 . 1 1 37 37 LYS CA C 13 55.619 0.300 . 1 . . . . 37 LYS CA . 11224 1 398 . 1 1 37 37 LYS CB C 13 31.834 0.300 . 1 . . . . 37 LYS CB . 11224 1 399 . 1 1 37 37 LYS CD C 13 29.905 0.300 . 1 . . . . 37 LYS CD . 11224 1 400 . 1 1 37 37 LYS CE C 13 41.408 0.300 . 1 . . . . 37 LYS CE . 11224 1 401 . 1 1 37 37 LYS CG C 13 24.802 0.300 . 1 . . . . 37 LYS CG . 11224 1 402 . 1 1 37 37 LYS N N 15 127.425 0.300 . 1 . . . . 37 LYS N . 11224 1 403 . 1 1 38 38 GLU H H 1 7.048 0.030 . 1 . . . . 38 GLU H . 11224 1 404 . 1 1 38 38 GLU HA H 1 4.617 0.030 . 1 . . . . 38 GLU HA . 11224 1 405 . 1 1 38 38 GLU HB2 H 1 2.359 0.030 . 1 . . . . 38 GLU HB2 . 11224 1 406 . 1 1 38 38 GLU HB3 H 1 2.359 0.030 . 1 . . . . 38 GLU HB3 . 11224 1 407 . 1 1 38 38 GLU HG2 H 1 2.373 0.030 . 1 . . . . 38 GLU HG2 . 11224 1 408 . 1 1 38 38 GLU HG3 H 1 2.373 0.030 . 1 . . . . 38 GLU HG3 . 11224 1 409 . 1 1 38 38 GLU C C 13 173.595 0.300 . 1 . . . . 38 GLU C . 11224 1 410 . 1 1 38 38 GLU CA C 13 54.513 0.300 . 1 . . . . 38 GLU CA . 11224 1 411 . 1 1 38 38 GLU CB C 13 30.661 0.300 . 1 . . . . 38 GLU CB . 11224 1 412 . 1 1 38 38 GLU CG C 13 36.240 0.300 . 1 . . . . 38 GLU CG . 11224 1 413 . 1 1 38 38 GLU N N 15 123.811 0.300 . 1 . . . . 38 GLU N . 11224 1 414 . 1 1 39 39 PRO HA H 1 4.594 0.030 . 1 . . . . 39 PRO HA . 11224 1 415 . 1 1 39 39 PRO HB2 H 1 2.411 0.030 . 2 . . . . 39 PRO HB2 . 11224 1 416 . 1 1 39 39 PRO HB3 H 1 1.984 0.030 . 2 . . . . 39 PRO HB3 . 11224 1 417 . 1 1 39 39 PRO HD2 H 1 3.845 0.030 . 2 . . . . 39 PRO HD2 . 11224 1 418 . 1 1 39 39 PRO HD3 H 1 3.755 0.030 . 2 . . . . 39 PRO HD3 . 11224 1 419 . 1 1 39 39 PRO HG2 H 1 2.062 0.030 . 2 . . . . 39 PRO HG2 . 11224 1 420 . 1 1 39 39 PRO HG3 H 1 2.128 0.030 . 2 . . . . 39 PRO HG3 . 11224 1 421 . 1 1 39 39 PRO CA C 13 63.526 0.300 . 1 . . . . 39 PRO CA . 11224 1 422 . 1 1 39 39 PRO CB C 13 32.121 0.300 . 1 . . . . 39 PRO CB . 11224 1 423 . 1 1 39 39 PRO CD C 13 50.577 0.300 . 1 . . . . 39 PRO CD . 11224 1 424 . 1 1 39 39 PRO CG C 13 27.673 0.300 . 1 . . . . 39 PRO CG . 11224 1 425 . 1 1 40 40 GLY H H 1 8.889 0.030 . 1 . . . . 40 GLY H . 11224 1 426 . 1 1 40 40 GLY HA2 H 1 4.513 0.030 . 2 . . . . 40 GLY HA2 . 11224 1 427 . 1 1 40 40 GLY HA3 H 1 3.852 0.030 . 2 . . . . 40 GLY HA3 . 11224 1 428 . 1 1 40 40 GLY C C 13 175.637 0.300 . 1 . . . . 40 GLY C . 11224 1 429 . 1 1 40 40 GLY CA C 13 45.352 0.300 . 1 . . . . 40 GLY CA . 11224 1 430 . 1 1 41 41 GLY H H 1 8.692 0.030 . 1 . . . . 41 GLY H . 11224 1 431 . 1 1 41 41 GLY HA2 H 1 3.872 0.030 . 2 . . . . 41 GLY HA2 . 11224 1 432 . 1 1 41 41 GLY HA3 H 1 3.580 0.030 . 2 . . . . 41 GLY HA3 . 11224 1 433 . 1 1 41 41 GLY C C 13 173.548 0.300 . 1 . . . . 41 GLY C . 11224 1 434 . 1 1 41 41 GLY CA C 13 45.221 0.300 . 1 . . . . 41 GLY CA . 11224 1 435 . 1 1 41 41 GLY N N 15 107.195 0.300 . 1 . . . . 41 GLY N . 11224 1 436 . 1 1 42 42 TRP H H 1 7.986 0.030 . 1 . . . . 42 TRP H . 11224 1 437 . 1 1 42 42 TRP HA H 1 4.754 0.030 . 1 . . . . 42 TRP HA . 11224 1 438 . 1 1 42 42 TRP HB2 H 1 2.967 0.030 . 2 . . . . 42 TRP HB2 . 11224 1 439 . 1 1 42 42 TRP HB3 H 1 2.894 0.030 . 2 . . . . 42 TRP HB3 . 11224 1 440 . 1 1 42 42 TRP HD1 H 1 7.019 0.030 . 1 . . . . 42 TRP HD1 . 11224 1 441 . 1 1 42 42 TRP HE1 H 1 9.964 0.030 . 1 . . . . 42 TRP HE1 . 11224 1 442 . 1 1 42 42 TRP HE3 H 1 7.087 0.030 . 1 . . . . 42 TRP HE3 . 11224 1 443 . 1 1 42 42 TRP HH2 H 1 7.248 0.030 . 1 . . . . 42 TRP HH2 . 11224 1 444 . 1 1 42 42 TRP HZ2 H 1 7.347 0.030 . 1 . . . . 42 TRP HZ2 . 11224 1 445 . 1 1 42 42 TRP HZ3 H 1 6.514 0.030 . 1 . . . . 42 TRP HZ3 . 11224 1 446 . 1 1 42 42 TRP CA C 13 56.585 0.300 . 1 . . . . 42 TRP CA . 11224 1 447 . 1 1 42 42 TRP CB C 13 30.097 0.300 . 1 . . . . 42 TRP CB . 11224 1 448 . 1 1 42 42 TRP CD1 C 13 126.312 0.300 . 1 . . . . 42 TRP CD1 . 11224 1 449 . 1 1 42 42 TRP CE3 C 13 119.033 0.300 . 1 . . . . 42 TRP CE3 . 11224 1 450 . 1 1 42 42 TRP CH2 C 13 125.153 0.300 . 1 . . . . 42 TRP CH2 . 11224 1 451 . 1 1 42 42 TRP CZ2 C 13 114.464 0.300 . 1 . . . . 42 TRP CZ2 . 11224 1 452 . 1 1 42 42 TRP CZ3 C 13 120.430 0.300 . 1 . . . . 42 TRP CZ3 . 11224 1 453 . 1 1 42 42 TRP N N 15 121.873 0.300 . 1 . . . . 42 TRP N . 11224 1 454 . 1 1 42 42 TRP NE1 N 15 129.160 0.300 . 1 . . . . 42 TRP NE1 . 11224 1 455 . 1 1 43 43 TRP H H 1 8.149 0.030 . 1 . . . . 43 TRP H . 11224 1 456 . 1 1 43 43 TRP HA H 1 5.143 0.030 . 1 . . . . 43 TRP HA . 11224 1 457 . 1 1 43 43 TRP HB2 H 1 2.772 0.030 . 2 . . . . 43 TRP HB2 . 11224 1 458 . 1 1 43 43 TRP HB3 H 1 1.851 0.030 . 2 . . . . 43 TRP HB3 . 11224 1 459 . 1 1 43 43 TRP HD1 H 1 7.364 0.030 . 1 . . . . 43 TRP HD1 . 11224 1 460 . 1 1 43 43 TRP HE1 H 1 10.163 0.030 . 1 . . . . 43 TRP HE1 . 11224 1 461 . 1 1 43 43 TRP HE3 H 1 7.295 0.030 . 1 . . . . 43 TRP HE3 . 11224 1 462 . 1 1 43 43 TRP HH2 H 1 7.274 0.030 . 1 . . . . 43 TRP HH2 . 11224 1 463 . 1 1 43 43 TRP HZ2 H 1 7.530 0.030 . 1 . . . . 43 TRP HZ2 . 11224 1 464 . 1 1 43 43 TRP HZ3 H 1 6.920 0.030 . 1 . . . . 43 TRP HZ3 . 11224 1 465 . 1 1 43 43 TRP C C 13 178.762 0.300 . 1 . . . . 43 TRP C . 11224 1 466 . 1 1 43 43 TRP CA C 13 52.208 0.300 . 1 . . . . 43 TRP CA . 11224 1 467 . 1 1 43 43 TRP CB C 13 33.261 0.300 . 1 . . . . 43 TRP CB . 11224 1 468 . 1 1 43 43 TRP CD1 C 13 123.301 0.300 . 1 . . . . 43 TRP CD1 . 11224 1 469 . 1 1 43 43 TRP CE3 C 13 120.009 0.300 . 1 . . . . 43 TRP CE3 . 11224 1 470 . 1 1 43 43 TRP CH2 C 13 125.153 0.300 . 1 . . . . 43 TRP CH2 . 11224 1 471 . 1 1 43 43 TRP CZ2 C 13 114.890 0.300 . 1 . . . . 43 TRP CZ2 . 11224 1 472 . 1 1 43 43 TRP CZ3 C 13 121.495 0.300 . 1 . . . . 43 TRP CZ3 . 11224 1 473 . 1 1 43 43 TRP N N 15 125.220 0.300 . 1 . . . . 43 TRP N . 11224 1 474 . 1 1 43 43 TRP NE1 N 15 128.490 0.300 . 1 . . . . 43 TRP NE1 . 11224 1 475 . 1 1 44 44 LYS H H 1 7.940 0.030 . 1 . . . . 44 LYS H . 11224 1 476 . 1 1 44 44 LYS HA H 1 5.309 0.030 . 1 . . . . 44 LYS HA . 11224 1 477 . 1 1 44 44 LYS HB2 H 1 0.873 0.030 . 2 . . . . 44 LYS HB2 . 11224 1 478 . 1 1 44 44 LYS HB3 H 1 1.297 0.030 . 2 . . . . 44 LYS HB3 . 11224 1 479 . 1 1 44 44 LYS HD2 H 1 1.333 0.030 . 1 . . . . 44 LYS HD2 . 11224 1 480 . 1 1 44 44 LYS HD3 H 1 1.333 0.030 . 1 . . . . 44 LYS HD3 . 11224 1 481 . 1 1 44 44 LYS HE2 H 1 2.659 0.030 . 1 . . . . 44 LYS HE2 . 11224 1 482 . 1 1 44 44 LYS HE3 H 1 2.659 0.030 . 1 . . . . 44 LYS HE3 . 11224 1 483 . 1 1 44 44 LYS HG2 H 1 0.401 0.030 . 2 . . . . 44 LYS HG2 . 11224 1 484 . 1 1 44 44 LYS HG3 H 1 1.018 0.030 . 2 . . . . 44 LYS HG3 . 11224 1 485 . 1 1 44 44 LYS C C 13 176.840 0.300 . 1 . . . . 44 LYS C . 11224 1 486 . 1 1 44 44 LYS CA C 13 54.115 0.300 . 1 . . . . 44 LYS CA . 11224 1 487 . 1 1 44 44 LYS CB C 13 36.617 0.300 . 1 . . . . 44 LYS CB . 11224 1 488 . 1 1 44 44 LYS CD C 13 29.611 0.300 . 1 . . . . 44 LYS CD . 11224 1 489 . 1 1 44 44 LYS CE C 13 41.851 0.300 . 1 . . . . 44 LYS CE . 11224 1 490 . 1 1 44 44 LYS CG C 13 25.353 0.300 . 1 . . . . 44 LYS CG . 11224 1 491 . 1 1 44 44 LYS N N 15 114.451 0.300 . 1 . . . . 44 LYS N . 11224 1 492 . 1 1 45 45 GLY H H 1 9.259 0.030 . 1 . . . . 45 GLY H . 11224 1 493 . 1 1 45 45 GLY HA2 H 1 4.384 0.030 . 2 . . . . 45 GLY HA2 . 11224 1 494 . 1 1 45 45 GLY HA3 H 1 3.742 0.030 . 2 . . . . 45 GLY HA3 . 11224 1 495 . 1 1 45 45 GLY C C 13 169.798 0.300 . 1 . . . . 45 GLY C . 11224 1 496 . 1 1 45 45 GLY CA C 13 45.967 0.300 . 1 . . . . 45 GLY CA . 11224 1 497 . 1 1 45 45 GLY N N 15 105.694 0.300 . 1 . . . . 45 GLY N . 11224 1 498 . 1 1 46 46 ASP H H 1 9.210 0.030 . 1 . . . . 46 ASP H . 11224 1 499 . 1 1 46 46 ASP HA H 1 5.487 0.030 . 1 . . . . 46 ASP HA . 11224 1 500 . 1 1 46 46 ASP HB2 H 1 2.820 0.030 . 2 . . . . 46 ASP HB2 . 11224 1 501 . 1 1 46 46 ASP HB3 H 1 2.574 0.030 . 2 . . . . 46 ASP HB3 . 11224 1 502 . 1 1 46 46 ASP C C 13 175.422 0.300 . 1 . . . . 46 ASP C . 11224 1 503 . 1 1 46 46 ASP CA C 13 52.670 0.300 . 1 . . . . 46 ASP CA . 11224 1 504 . 1 1 46 46 ASP CB C 13 41.404 0.300 . 1 . . . . 46 ASP CB . 11224 1 505 . 1 1 46 46 ASP N N 15 119.041 0.300 . 1 . . . . 46 ASP N . 11224 1 506 . 1 1 47 47 TYR H H 1 8.390 0.030 . 1 . . . . 47 TYR H . 11224 1 507 . 1 1 47 47 TYR HA H 1 4.884 0.030 . 1 . . . . 47 TYR HA . 11224 1 508 . 1 1 47 47 TYR HB2 H 1 3.097 0.030 . 2 . . . . 47 TYR HB2 . 11224 1 509 . 1 1 47 47 TYR HB3 H 1 2.784 0.030 . 2 . . . . 47 TYR HB3 . 11224 1 510 . 1 1 47 47 TYR HD1 H 1 7.436 0.030 . 1 . . . . 47 TYR HD1 . 11224 1 511 . 1 1 47 47 TYR HD2 H 1 7.436 0.030 . 1 . . . . 47 TYR HD2 . 11224 1 512 . 1 1 47 47 TYR HE1 H 1 7.100 0.030 . 1 . . . . 47 TYR HE1 . 11224 1 513 . 1 1 47 47 TYR HE2 H 1 7.100 0.030 . 1 . . . . 47 TYR HE2 . 11224 1 514 . 1 1 47 47 TYR C C 13 175.912 0.300 . 1 . . . . 47 TYR C . 11224 1 515 . 1 1 47 47 TYR CA C 13 58.331 0.300 . 1 . . . . 47 TYR CA . 11224 1 516 . 1 1 47 47 TYR CB C 13 42.768 0.300 . 1 . . . . 47 TYR CB . 11224 1 517 . 1 1 47 47 TYR CD1 C 13 133.023 0.300 . 1 . . . . 47 TYR CD1 . 11224 1 518 . 1 1 47 47 TYR CD2 C 13 133.023 0.300 . 1 . . . . 47 TYR CD2 . 11224 1 519 . 1 1 47 47 TYR CE1 C 13 118.543 0.300 . 1 . . . . 47 TYR CE1 . 11224 1 520 . 1 1 47 47 TYR CE2 C 13 118.543 0.300 . 1 . . . . 47 TYR CE2 . 11224 1 521 . 1 1 47 47 TYR N N 15 121.770 0.300 . 1 . . . . 47 TYR N . 11224 1 522 . 1 1 48 48 GLY H H 1 9.004 0.030 . 1 . . . . 48 GLY H . 11224 1 523 . 1 1 48 48 GLY HA2 H 1 3.523 0.030 . 2 . . . . 48 GLY HA2 . 11224 1 524 . 1 1 48 48 GLY HA3 H 1 3.817 0.030 . 2 . . . . 48 GLY HA3 . 11224 1 525 . 1 1 48 48 GLY C C 13 176.239 0.300 . 1 . . . . 48 GLY C . 11224 1 526 . 1 1 48 48 GLY CA C 13 46.665 0.300 . 1 . . . . 48 GLY CA . 11224 1 527 . 1 1 48 48 GLY N N 15 120.953 0.300 . 1 . . . . 48 GLY N . 11224 1 528 . 1 1 49 49 THR HA H 1 4.319 0.030 . 1 . . . . 49 THR HA . 11224 1 529 . 1 1 49 49 THR HB H 1 4.577 0.030 . 1 . . . . 49 THR HB . 11224 1 530 . 1 1 49 49 THR HG21 H 1 1.217 0.030 . 1 . . . . 49 THR HG2 . 11224 1 531 . 1 1 49 49 THR HG22 H 1 1.217 0.030 . 1 . . . . 49 THR HG2 . 11224 1 532 . 1 1 49 49 THR HG23 H 1 1.217 0.030 . 1 . . . . 49 THR HG2 . 11224 1 533 . 1 1 49 49 THR C C 13 174.481 0.300 . 1 . . . . 49 THR C . 11224 1 534 . 1 1 49 49 THR CA C 13 62.185 0.300 . 1 . . . . 49 THR CA . 11224 1 535 . 1 1 49 49 THR CB C 13 68.667 0.300 . 1 . . . . 49 THR CB . 11224 1 536 . 1 1 49 49 THR CG2 C 13 21.641 0.300 . 1 . . . . 49 THR CG2 . 11224 1 537 . 1 1 50 50 ARG H H 1 8.066 0.030 . 1 . . . . 50 ARG H . 11224 1 538 . 1 1 50 50 ARG HA H 1 4.514 0.030 . 1 . . . . 50 ARG HA . 11224 1 539 . 1 1 50 50 ARG HB2 H 1 2.213 0.030 . 2 . . . . 50 ARG HB2 . 11224 1 540 . 1 1 50 50 ARG HB3 H 1 1.759 0.030 . 2 . . . . 50 ARG HB3 . 11224 1 541 . 1 1 50 50 ARG HD2 H 1 3.398 0.030 . 1 . . . . 50 ARG HD2 . 11224 1 542 . 1 1 50 50 ARG HD3 H 1 3.398 0.030 . 1 . . . . 50 ARG HD3 . 11224 1 543 . 1 1 50 50 ARG HG2 H 1 2.053 0.030 . 2 . . . . 50 ARG HG2 . 11224 1 544 . 1 1 50 50 ARG HG3 H 1 1.731 0.030 . 2 . . . . 50 ARG HG3 . 11224 1 545 . 1 1 50 50 ARG C C 13 175.544 0.300 . 1 . . . . 50 ARG C . 11224 1 546 . 1 1 50 50 ARG CA C 13 55.513 0.300 . 1 . . . . 50 ARG CA . 11224 1 547 . 1 1 50 50 ARG CB C 13 30.852 0.300 . 1 . . . . 50 ARG CB . 11224 1 548 . 1 1 50 50 ARG CD C 13 42.947 0.300 . 1 . . . . 50 ARG CD . 11224 1 549 . 1 1 50 50 ARG CG C 13 26.593 0.300 . 1 . . . . 50 ARG CG . 11224 1 550 . 1 1 50 50 ARG N N 15 121.872 0.300 . 1 . . . . 50 ARG N . 11224 1 551 . 1 1 51 51 ILE H H 1 8.567 0.030 . 1 . . . . 51 ILE H . 11224 1 552 . 1 1 51 51 ILE HA H 1 4.405 0.030 . 1 . . . . 51 ILE HA . 11224 1 553 . 1 1 51 51 ILE HB H 1 1.838 0.030 . 1 . . . . 51 ILE HB . 11224 1 554 . 1 1 51 51 ILE HD11 H 1 0.731 0.030 . 1 . . . . 51 ILE HD1 . 11224 1 555 . 1 1 51 51 ILE HD12 H 1 0.731 0.030 . 1 . . . . 51 ILE HD1 . 11224 1 556 . 1 1 51 51 ILE HD13 H 1 0.731 0.030 . 1 . . . . 51 ILE HD1 . 11224 1 557 . 1 1 51 51 ILE HG12 H 1 1.400 0.030 . 2 . . . . 51 ILE HG12 . 11224 1 558 . 1 1 51 51 ILE HG13 H 1 1.249 0.030 . 2 . . . . 51 ILE HG13 . 11224 1 559 . 1 1 51 51 ILE HG21 H 1 0.930 0.030 . 1 . . . . 51 ILE HG2 . 11224 1 560 . 1 1 51 51 ILE HG22 H 1 0.930 0.030 . 1 . . . . 51 ILE HG2 . 11224 1 561 . 1 1 51 51 ILE HG23 H 1 0.930 0.030 . 1 . . . . 51 ILE HG2 . 11224 1 562 . 1 1 51 51 ILE C C 13 175.579 0.300 . 1 . . . . 51 ILE C . 11224 1 563 . 1 1 51 51 ILE CA C 13 58.791 0.300 . 1 . . . . 51 ILE CA . 11224 1 564 . 1 1 51 51 ILE CB C 13 39.316 0.300 . 1 . . . . 51 ILE CB . 11224 1 565 . 1 1 51 51 ILE CD1 C 13 10.973 0.300 . 1 . . . . 51 ILE CD1 . 11224 1 566 . 1 1 51 51 ILE CG1 C 13 26.614 0.300 . 1 . . . . 51 ILE CG1 . 11224 1 567 . 1 1 51 51 ILE CG2 C 13 17.619 0.300 . 1 . . . . 51 ILE CG2 . 11224 1 568 . 1 1 51 51 ILE N N 15 123.639 0.300 . 1 . . . . 51 ILE N . 11224 1 569 . 1 1 52 52 GLN H H 1 9.962 0.030 . 1 . . . . 52 GLN H . 11224 1 570 . 1 1 52 52 GLN HA H 1 3.411 0.030 . 1 . . . . 52 GLN HA . 11224 1 571 . 1 1 52 52 GLN HB2 H 1 2.121 0.030 . 2 . . . . 52 GLN HB2 . 11224 1 572 . 1 1 52 52 GLN HB3 H 1 1.923 0.030 . 2 . . . . 52 GLN HB3 . 11224 1 573 . 1 1 52 52 GLN HE21 H 1 7.493 0.030 . 2 . . . . 52 GLN HE21 . 11224 1 574 . 1 1 52 52 GLN HE22 H 1 8.401 0.030 . 2 . . . . 52 GLN HE22 . 11224 1 575 . 1 1 52 52 GLN HG2 H 1 2.612 0.030 . 2 . . . . 52 GLN HG2 . 11224 1 576 . 1 1 52 52 GLN HG3 H 1 2.280 0.030 . 2 . . . . 52 GLN HG3 . 11224 1 577 . 1 1 52 52 GLN C C 13 174.240 0.300 . 1 . . . . 52 GLN C . 11224 1 578 . 1 1 52 52 GLN CA C 13 55.552 0.300 . 1 . . . . 52 GLN CA . 11224 1 579 . 1 1 52 52 GLN CB C 13 27.169 0.300 . 1 . . . . 52 GLN CB . 11224 1 580 . 1 1 52 52 GLN CG C 13 34.147 0.300 . 1 . . . . 52 GLN CG . 11224 1 581 . 1 1 52 52 GLN N N 15 127.101 0.300 . 1 . . . . 52 GLN N . 11224 1 582 . 1 1 52 52 GLN NE2 N 15 118.409 0.300 . 1 . . . . 52 GLN NE2 . 11224 1 583 . 1 1 53 53 GLN H H 1 8.725 0.030 . 1 . . . . 53 GLN H . 11224 1 584 . 1 1 53 53 GLN HA H 1 4.741 0.030 . 1 . . . . 53 GLN HA . 11224 1 585 . 1 1 53 53 GLN HB2 H 1 1.719 0.030 . 2 . . . . 53 GLN HB2 . 11224 1 586 . 1 1 53 53 GLN HB3 H 1 2.226 0.030 . 2 . . . . 53 GLN HB3 . 11224 1 587 . 1 1 53 53 GLN HE21 H 1 6.974 0.030 . 2 . . . . 53 GLN HE21 . 11224 1 588 . 1 1 53 53 GLN HE22 H 1 7.213 0.030 . 2 . . . . 53 GLN HE22 . 11224 1 589 . 1 1 53 53 GLN HG2 H 1 2.387 0.030 . 2 . . . . 53 GLN HG2 . 11224 1 590 . 1 1 53 53 GLN HG3 H 1 2.212 0.030 . 2 . . . . 53 GLN HG3 . 11224 1 591 . 1 1 53 53 GLN C C 13 175.856 0.300 . 1 . . . . 53 GLN C . 11224 1 592 . 1 1 53 53 GLN CA C 13 53.237 0.300 . 1 . . . . 53 GLN CA . 11224 1 593 . 1 1 53 53 GLN CB C 13 31.255 0.300 . 1 . . . . 53 GLN CB . 11224 1 594 . 1 1 53 53 GLN CG C 13 34.619 0.300 . 1 . . . . 53 GLN CG . 11224 1 595 . 1 1 53 53 GLN N N 15 116.971 0.300 . 1 . . . . 53 GLN N . 11224 1 596 . 1 1 53 53 GLN NE2 N 15 112.643 0.300 . 1 . . . . 53 GLN NE2 . 11224 1 597 . 1 1 54 54 TYR H H 1 9.078 0.030 . 1 . . . . 54 TYR H . 11224 1 598 . 1 1 54 54 TYR HA H 1 5.595 0.030 . 1 . . . . 54 TYR HA . 11224 1 599 . 1 1 54 54 TYR HB2 H 1 2.872 0.030 . 2 . . . . 54 TYR HB2 . 11224 1 600 . 1 1 54 54 TYR HB3 H 1 3.092 0.030 . 2 . . . . 54 TYR HB3 . 11224 1 601 . 1 1 54 54 TYR HD1 H 1 7.122 0.030 . 1 . . . . 54 TYR HD1 . 11224 1 602 . 1 1 54 54 TYR HD2 H 1 7.122 0.030 . 1 . . . . 54 TYR HD2 . 11224 1 603 . 1 1 54 54 TYR HE1 H 1 6.794 0.030 . 1 . . . . 54 TYR HE1 . 11224 1 604 . 1 1 54 54 TYR HE2 H 1 6.794 0.030 . 1 . . . . 54 TYR HE2 . 11224 1 605 . 1 1 54 54 TYR C C 13 177.213 0.300 . 1 . . . . 54 TYR C . 11224 1 606 . 1 1 54 54 TYR CA C 13 59.841 0.300 . 1 . . . . 54 TYR CA . 11224 1 607 . 1 1 54 54 TYR CB C 13 41.767 0.300 . 1 . . . . 54 TYR CB . 11224 1 608 . 1 1 54 54 TYR CD1 C 13 133.201 0.300 . 1 . . . . 54 TYR CD1 . 11224 1 609 . 1 1 54 54 TYR CD2 C 13 133.201 0.300 . 1 . . . . 54 TYR CD2 . 11224 1 610 . 1 1 54 54 TYR CE1 C 13 117.996 0.300 . 1 . . . . 54 TYR CE1 . 11224 1 611 . 1 1 54 54 TYR CE2 C 13 117.996 0.300 . 1 . . . . 54 TYR CE2 . 11224 1 612 . 1 1 54 54 TYR N N 15 117.265 0.300 . 1 . . . . 54 TYR N . 11224 1 613 . 1 1 55 55 PHE H H 1 9.046 0.030 . 1 . . . . 55 PHE H . 11224 1 614 . 1 1 55 55 PHE HA H 1 4.943 0.030 . 1 . . . . 55 PHE HA . 11224 1 615 . 1 1 55 55 PHE HB2 H 1 2.814 0.030 . 2 . . . . 55 PHE HB2 . 11224 1 616 . 1 1 55 55 PHE HB3 H 1 3.229 0.030 . 2 . . . . 55 PHE HB3 . 11224 1 617 . 1 1 55 55 PHE HD1 H 1 6.968 0.030 . 1 . . . . 55 PHE HD1 . 11224 1 618 . 1 1 55 55 PHE HD2 H 1 6.968 0.030 . 1 . . . . 55 PHE HD2 . 11224 1 619 . 1 1 55 55 PHE HE1 H 1 6.916 0.030 . 1 . . . . 55 PHE HE1 . 11224 1 620 . 1 1 55 55 PHE HE2 H 1 6.916 0.030 . 1 . . . . 55 PHE HE2 . 11224 1 621 . 1 1 55 55 PHE HZ H 1 7.221 0.030 . 1 . . . . 55 PHE HZ . 11224 1 622 . 1 1 55 55 PHE C C 13 170.219 0.300 . 1 . . . . 55 PHE C . 11224 1 623 . 1 1 55 55 PHE CA C 13 55.777 0.300 . 1 . . . . 55 PHE CA . 11224 1 624 . 1 1 55 55 PHE CB C 13 39.255 0.300 . 1 . . . . 55 PHE CB . 11224 1 625 . 1 1 55 55 PHE CD1 C 13 133.432 0.300 . 1 . . . . 55 PHE CD1 . 11224 1 626 . 1 1 55 55 PHE CD2 C 13 133.432 0.300 . 1 . . . . 55 PHE CD2 . 11224 1 627 . 1 1 55 55 PHE CE1 C 13 129.792 0.300 . 1 . . . . 55 PHE CE1 . 11224 1 628 . 1 1 55 55 PHE CE2 C 13 129.792 0.300 . 1 . . . . 55 PHE CE2 . 11224 1 629 . 1 1 55 55 PHE CZ C 13 128.752 0.300 . 1 . . . . 55 PHE CZ . 11224 1 630 . 1 1 55 55 PHE N N 15 113.612 0.300 . 1 . . . . 55 PHE N . 11224 1 631 . 1 1 56 56 PRO HA H 1 3.590 0.030 . 1 . . . . 56 PRO HA . 11224 1 632 . 1 1 56 56 PRO HB2 H 1 1.411 0.030 . 2 . . . . 56 PRO HB2 . 11224 1 633 . 1 1 56 56 PRO HB3 H 1 1.458 0.030 . 2 . . . . 56 PRO HB3 . 11224 1 634 . 1 1 56 56 PRO HD2 H 1 2.611 0.030 . 2 . . . . 56 PRO HD2 . 11224 1 635 . 1 1 56 56 PRO HD3 H 1 2.649 0.030 . 2 . . . . 56 PRO HD3 . 11224 1 636 . 1 1 56 56 PRO HG2 H 1 0.778 0.030 . 2 . . . . 56 PRO HG2 . 11224 1 637 . 1 1 56 56 PRO HG3 H 1 0.487 0.030 . 2 . . . . 56 PRO HG3 . 11224 1 638 . 1 1 56 56 PRO C C 13 178.741 0.300 . 1 . . . . 56 PRO C . 11224 1 639 . 1 1 56 56 PRO CA C 13 61.359 0.300 . 1 . . . . 56 PRO CA . 11224 1 640 . 1 1 56 56 PRO CB C 13 30.219 0.300 . 1 . . . . 56 PRO CB . 11224 1 641 . 1 1 56 56 PRO CD C 13 49.609 0.300 . 1 . . . . 56 PRO CD . 11224 1 642 . 1 1 56 56 PRO CG C 13 27.169 0.300 . 1 . . . . 56 PRO CG . 11224 1 643 . 1 1 57 57 SER H H 1 7.850 0.030 . 1 . . . . 57 SER H . 11224 1 644 . 1 1 57 57 SER HA H 1 2.732 0.030 . 1 . . . . 57 SER HA . 11224 1 645 . 1 1 57 57 SER HB2 H 1 1.628 0.030 . 2 . . . . 57 SER HB2 . 11224 1 646 . 1 1 57 57 SER HB3 H 1 1.254 0.030 . 2 . . . . 57 SER HB3 . 11224 1 647 . 1 1 57 57 SER C C 13 174.547 0.300 . 1 . . . . 57 SER C . 11224 1 648 . 1 1 57 57 SER CA C 13 60.702 0.300 . 1 . . . . 57 SER CA . 11224 1 649 . 1 1 57 57 SER CB C 13 60.459 0.300 . 1 . . . . 57 SER CB . 11224 1 650 . 1 1 57 57 SER N N 15 120.966 0.300 . 1 . . . . 57 SER N . 11224 1 651 . 1 1 58 58 ASN H H 1 8.092 0.030 . 1 . . . . 58 ASN H . 11224 1 652 . 1 1 58 58 ASN HA H 1 4.593 0.030 . 1 . . . . 58 ASN HA . 11224 1 653 . 1 1 58 58 ASN HB2 H 1 2.977 0.030 . 2 . . . . 58 ASN HB2 . 11224 1 654 . 1 1 58 58 ASN HB3 H 1 2.653 0.030 . 2 . . . . 58 ASN HB3 . 11224 1 655 . 1 1 58 58 ASN HD21 H 1 7.526 0.030 . 2 . . . . 58 ASN HD21 . 11224 1 656 . 1 1 58 58 ASN HD22 H 1 6.661 0.030 . 2 . . . . 58 ASN HD22 . 11224 1 657 . 1 1 58 58 ASN C C 13 175.240 0.300 . 1 . . . . 58 ASN C . 11224 1 658 . 1 1 58 58 ASN CA C 13 53.310 0.300 . 1 . . . . 58 ASN CA . 11224 1 659 . 1 1 58 58 ASN CB C 13 36.119 0.300 . 1 . . . . 58 ASN CB . 11224 1 660 . 1 1 58 58 ASN N N 15 115.659 0.300 . 1 . . . . 58 ASN N . 11224 1 661 . 1 1 58 58 ASN ND2 N 15 111.821 0.300 . 1 . . . . 58 ASN ND2 . 11224 1 662 . 1 1 59 59 TYR H H 1 7.804 0.030 . 1 . . . . 59 TYR H . 11224 1 663 . 1 1 59 59 TYR HA H 1 4.721 0.030 . 1 . . . . 59 TYR HA . 11224 1 664 . 1 1 59 59 TYR HB2 H 1 3.548 0.030 . 2 . . . . 59 TYR HB2 . 11224 1 665 . 1 1 59 59 TYR HB3 H 1 3.352 0.030 . 2 . . . . 59 TYR HB3 . 11224 1 666 . 1 1 59 59 TYR HD1 H 1 7.110 0.030 . 1 . . . . 59 TYR HD1 . 11224 1 667 . 1 1 59 59 TYR HD2 H 1 7.110 0.030 . 1 . . . . 59 TYR HD2 . 11224 1 668 . 1 1 59 59 TYR HE1 H 1 7.021 0.030 . 1 . . . . 59 TYR HE1 . 11224 1 669 . 1 1 59 59 TYR HE2 H 1 7.021 0.030 . 1 . . . . 59 TYR HE2 . 11224 1 670 . 1 1 59 59 TYR C C 13 175.202 0.300 . 1 . . . . 59 TYR C . 11224 1 671 . 1 1 59 59 TYR CA C 13 58.657 0.300 . 1 . . . . 59 TYR CA . 11224 1 672 . 1 1 59 59 TYR CB C 13 38.561 0.300 . 1 . . . . 59 TYR CB . 11224 1 673 . 1 1 59 59 TYR CD1 C 13 132.008 0.300 . 1 . . . . 59 TYR CD1 . 11224 1 674 . 1 1 59 59 TYR CD2 C 13 132.008 0.300 . 1 . . . . 59 TYR CD2 . 11224 1 675 . 1 1 59 59 TYR CE1 C 13 118.493 0.300 . 1 . . . . 59 TYR CE1 . 11224 1 676 . 1 1 59 59 TYR CE2 C 13 118.493 0.300 . 1 . . . . 59 TYR CE2 . 11224 1 677 . 1 1 59 59 TYR N N 15 119.183 0.300 . 1 . . . . 59 TYR N . 11224 1 678 . 1 1 60 60 VAL H H 1 7.259 0.030 . 1 . . . . 60 VAL H . 11224 1 679 . 1 1 60 60 VAL HA H 1 5.342 0.030 . 1 . . . . 60 VAL HA . 11224 1 680 . 1 1 60 60 VAL HB H 1 1.802 0.030 . 1 . . . . 60 VAL HB . 11224 1 681 . 1 1 60 60 VAL HG11 H 1 0.419 0.030 . 1 . . . . 60 VAL HG1 . 11224 1 682 . 1 1 60 60 VAL HG12 H 1 0.419 0.030 . 1 . . . . 60 VAL HG1 . 11224 1 683 . 1 1 60 60 VAL HG13 H 1 0.419 0.030 . 1 . . . . 60 VAL HG1 . 11224 1 684 . 1 1 60 60 VAL HG21 H 1 1.002 0.030 . 1 . . . . 60 VAL HG2 . 11224 1 685 . 1 1 60 60 VAL HG22 H 1 1.002 0.030 . 1 . . . . 60 VAL HG2 . 11224 1 686 . 1 1 60 60 VAL HG23 H 1 1.002 0.030 . 1 . . . . 60 VAL HG2 . 11224 1 687 . 1 1 60 60 VAL C C 13 173.338 0.300 . 1 . . . . 60 VAL C . 11224 1 688 . 1 1 60 60 VAL CA C 13 58.602 0.300 . 1 . . . . 60 VAL CA . 11224 1 689 . 1 1 60 60 VAL CB C 13 36.114 0.300 . 1 . . . . 60 VAL CB . 11224 1 690 . 1 1 60 60 VAL CG1 C 13 20.455 0.300 . 2 . . . . 60 VAL CG1 . 11224 1 691 . 1 1 60 60 VAL CG2 C 13 18.597 0.300 . 2 . . . . 60 VAL CG2 . 11224 1 692 . 1 1 60 60 VAL N N 15 109.092 0.300 . 1 . . . . 60 VAL N . 11224 1 693 . 1 1 61 61 GLU H H 1 8.765 0.030 . 1 . . . . 61 GLU H . 11224 1 694 . 1 1 61 61 GLU HA H 1 4.846 0.030 . 1 . . . . 61 GLU HA . 11224 1 695 . 1 1 61 61 GLU HB2 H 1 2.003 0.030 . 2 . . . . 61 GLU HB2 . 11224 1 696 . 1 1 61 61 GLU HB3 H 1 1.889 0.030 . 2 . . . . 61 GLU HB3 . 11224 1 697 . 1 1 61 61 GLU HG2 H 1 2.169 0.030 . 1 . . . . 61 GLU HG2 . 11224 1 698 . 1 1 61 61 GLU HG3 H 1 2.169 0.030 . 1 . . . . 61 GLU HG3 . 11224 1 699 . 1 1 61 61 GLU C C 13 174.995 0.300 . 1 . . . . 61 GLU C . 11224 1 700 . 1 1 61 61 GLU CA C 13 53.943 0.300 . 1 . . . . 61 GLU CA . 11224 1 701 . 1 1 61 61 GLU CB C 13 33.650 0.300 . 1 . . . . 61 GLU CB . 11224 1 702 . 1 1 61 61 GLU CG C 13 35.285 0.300 . 1 . . . . 61 GLU CG . 11224 1 703 . 1 1 61 61 GLU N N 15 117.839 0.300 . 1 . . . . 61 GLU N . 11224 1 704 . 1 1 62 62 ASP H H 1 8.848 0.030 . 1 . . . . 62 ASP H . 11224 1 705 . 1 1 62 62 ASP HA H 1 4.682 0.030 . 1 . . . . 62 ASP HA . 11224 1 706 . 1 1 62 62 ASP HB2 H 1 2.840 0.030 . 2 . . . . 62 ASP HB2 . 11224 1 707 . 1 1 62 62 ASP HB3 H 1 2.523 0.030 . 2 . . . . 62 ASP HB3 . 11224 1 708 . 1 1 62 62 ASP C C 13 176.827 0.300 . 1 . . . . 62 ASP C . 11224 1 709 . 1 1 62 62 ASP CA C 13 55.529 0.300 . 1 . . . . 62 ASP CA . 11224 1 710 . 1 1 62 62 ASP CB C 13 41.599 0.300 . 1 . . . . 62 ASP CB . 11224 1 711 . 1 1 62 62 ASP N N 15 123.601 0.300 . 1 . . . . 62 ASP N . 11224 1 712 . 1 1 63 63 ILE H H 1 7.952 0.030 . 1 . . . . 63 ILE H . 11224 1 713 . 1 1 63 63 ILE HA H 1 4.458 0.030 . 1 . . . . 63 ILE HA . 11224 1 714 . 1 1 63 63 ILE HB H 1 1.959 0.030 . 1 . . . . 63 ILE HB . 11224 1 715 . 1 1 63 63 ILE HD11 H 1 0.799 0.030 . 1 . . . . 63 ILE HD1 . 11224 1 716 . 1 1 63 63 ILE HD12 H 1 0.799 0.030 . 1 . . . . 63 ILE HD1 . 11224 1 717 . 1 1 63 63 ILE HD13 H 1 0.799 0.030 . 1 . . . . 63 ILE HD1 . 11224 1 718 . 1 1 63 63 ILE HG12 H 1 1.272 0.030 . 2 . . . . 63 ILE HG12 . 11224 1 719 . 1 1 63 63 ILE HG13 H 1 1.031 0.030 . 2 . . . . 63 ILE HG13 . 11224 1 720 . 1 1 63 63 ILE HG21 H 1 0.852 0.030 . 1 . . . . 63 ILE HG2 . 11224 1 721 . 1 1 63 63 ILE HG22 H 1 0.852 0.030 . 1 . . . . 63 ILE HG2 . 11224 1 722 . 1 1 63 63 ILE HG23 H 1 0.852 0.030 . 1 . . . . 63 ILE HG2 . 11224 1 723 . 1 1 63 63 ILE C C 13 176.032 0.300 . 1 . . . . 63 ILE C . 11224 1 724 . 1 1 63 63 ILE CA C 13 60.892 0.300 . 1 . . . . 63 ILE CA . 11224 1 725 . 1 1 63 63 ILE CB C 13 38.744 0.300 . 1 . . . . 63 ILE CB . 11224 1 726 . 1 1 63 63 ILE CD1 C 13 13.886 0.300 . 1 . . . . 63 ILE CD1 . 11224 1 727 . 1 1 63 63 ILE CG1 C 13 26.739 0.300 . 1 . . . . 63 ILE CG1 . 11224 1 728 . 1 1 63 63 ILE CG2 C 13 18.120 0.300 . 1 . . . . 63 ILE CG2 . 11224 1 729 . 1 1 63 63 ILE N N 15 119.565 0.300 . 1 . . . . 63 ILE N . 11224 1 730 . 1 1 64 64 SER H H 1 8.577 0.030 . 1 . . . . 64 SER H . 11224 1 731 . 1 1 64 64 SER HA H 1 4.522 0.030 . 1 . . . . 64 SER HA . 11224 1 732 . 1 1 64 64 SER HB2 H 1 3.930 0.030 . 1 . . . . 64 SER HB2 . 11224 1 733 . 1 1 64 64 SER HB3 H 1 3.930 0.030 . 1 . . . . 64 SER HB3 . 11224 1 734 . 1 1 64 64 SER C C 13 174.490 0.300 . 1 . . . . 64 SER C . 11224 1 735 . 1 1 64 64 SER CA C 13 58.867 0.300 . 1 . . . . 64 SER CA . 11224 1 736 . 1 1 64 64 SER CB C 13 64.049 0.300 . 1 . . . . 64 SER CB . 11224 1 737 . 1 1 64 64 SER N N 15 119.234 0.300 . 1 . . . . 64 SER N . 11224 1 738 . 1 1 65 65 GLY H H 1 8.276 0.030 . 1 . . . . 65 GLY H . 11224 1 739 . 1 1 65 65 GLY HA2 H 1 4.121 0.030 . 2 . . . . 65 GLY HA2 . 11224 1 740 . 1 1 65 65 GLY HA3 H 1 4.166 0.030 . 2 . . . . 65 GLY HA3 . 11224 1 741 . 1 1 65 65 GLY C C 13 171.768 0.300 . 1 . . . . 65 GLY C . 11224 1 742 . 1 1 65 65 GLY CA C 13 44.694 0.300 . 1 . . . . 65 GLY CA . 11224 1 743 . 1 1 65 65 GLY N N 15 110.508 0.300 . 1 . . . . 65 GLY N . 11224 1 744 . 1 1 66 66 PRO HA H 1 4.485 0.030 . 1 . . . . 66 PRO HA . 11224 1 745 . 1 1 66 66 PRO HB2 H 1 2.303 0.030 . 2 . . . . 66 PRO HB2 . 11224 1 746 . 1 1 66 66 PRO HB3 H 1 1.983 0.030 . 2 . . . . 66 PRO HB3 . 11224 1 747 . 1 1 66 66 PRO HD2 H 1 3.628 0.030 . 1 . . . . 66 PRO HD2 . 11224 1 748 . 1 1 66 66 PRO HD3 H 1 3.628 0.030 . 1 . . . . 66 PRO HD3 . 11224 1 749 . 1 1 66 66 PRO HG2 H 1 2.026 0.030 . 1 . . . . 66 PRO HG2 . 11224 1 750 . 1 1 66 66 PRO HG3 H 1 2.026 0.030 . 1 . . . . 66 PRO HG3 . 11224 1 751 . 1 1 66 66 PRO C C 13 177.445 0.300 . 1 . . . . 66 PRO C . 11224 1 752 . 1 1 66 66 PRO CA C 13 63.284 0.300 . 1 . . . . 66 PRO CA . 11224 1 753 . 1 1 66 66 PRO CB C 13 32.180 0.300 . 1 . . . . 66 PRO CB . 11224 1 754 . 1 1 66 66 PRO CD C 13 49.756 0.300 . 1 . . . . 66 PRO CD . 11224 1 755 . 1 1 66 66 PRO CG C 13 27.140 0.300 . 1 . . . . 66 PRO CG . 11224 1 756 . 1 1 67 67 SER H H 1 8.565 0.030 . 1 . . . . 67 SER H . 11224 1 757 . 1 1 67 67 SER HA H 1 4.520 0.030 . 1 . . . . 67 SER HA . 11224 1 758 . 1 1 67 67 SER HB2 H 1 3.929 0.030 . 1 . . . . 67 SER HB2 . 11224 1 759 . 1 1 67 67 SER HB3 H 1 3.929 0.030 . 1 . . . . 67 SER HB3 . 11224 1 760 . 1 1 67 67 SER C C 13 174.680 0.300 . 1 . . . . 67 SER C . 11224 1 761 . 1 1 67 67 SER CA C 13 58.383 0.300 . 1 . . . . 67 SER CA . 11224 1 762 . 1 1 67 67 SER CB C 13 63.886 0.300 . 1 . . . . 67 SER CB . 11224 1 763 . 1 1 67 67 SER N N 15 116.444 0.300 . 1 . . . . 67 SER N . 11224 1 764 . 1 1 68 68 SER H H 1 8.356 0.030 . 1 . . . . 68 SER H . 11224 1 765 . 1 1 68 68 SER HA H 1 4.502 0.030 . 1 . . . . 68 SER HA . 11224 1 766 . 1 1 68 68 SER HB2 H 1 3.878 0.030 . 1 . . . . 68 SER HB2 . 11224 1 767 . 1 1 68 68 SER HB3 H 1 3.878 0.030 . 1 . . . . 68 SER HB3 . 11224 1 768 . 1 1 68 68 SER C C 13 173.952 0.300 . 1 . . . . 68 SER C . 11224 1 769 . 1 1 68 68 SER CA C 13 58.306 0.300 . 1 . . . . 68 SER CA . 11224 1 770 . 1 1 68 68 SER CB C 13 64.093 0.300 . 1 . . . . 68 SER CB . 11224 1 771 . 1 1 68 68 SER N N 15 117.867 0.300 . 1 . . . . 68 SER N . 11224 1 772 . 1 1 69 69 GLY H H 1 8.073 0.030 . 1 . . . . 69 GLY H . 11224 1 773 . 1 1 69 69 GLY HA2 H 1 3.817 0.030 . 2 . . . . 69 GLY HA2 . 11224 1 774 . 1 1 69 69 GLY HA3 H 1 3.756 0.030 . 2 . . . . 69 GLY HA3 . 11224 1 775 . 1 1 69 69 GLY C C 13 179.058 0.300 . 1 . . . . 69 GLY C . 11224 1 776 . 1 1 69 69 GLY CA C 13 46.241 0.300 . 1 . . . . 69 GLY CA . 11224 1 777 . 1 1 69 69 GLY N N 15 116.857 0.300 . 1 . . . . 69 GLY N . 11224 1 stop_ save_