data_16139 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16139 _Entry.Title ; NMR solution structure of the CASKIN SH3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-27 _Entry.Accession_date 2009-01-27 _Entry.Last_release_date 2015-07-24 _Entry.Original_release_date 2015-07-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Logan Donaldson . . . 16139 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 'not applicable' 'not applicable' . 16139 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SH3 domain' . 16139 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16139 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 16139 '15N chemical shifts' 55 16139 '1H chemical shifts' 383 16139 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 . . 2015-07-24 . original BMRB . 16139 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KE9 'BMRB Entry Tracking System' 16139 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16139 _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 CASKIN2 SH3 domain ; _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 Logan Donaldson . . . 16139 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16139 _Assembly.ID 1 _Assembly.Name caskinSH3 _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 caskinSH3 1 $caskinSH3 A . yes native no no . . . 16139 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_caskinSH3 _Entity.Sf_category entity _Entity.Sf_framecode caskinSH3 _Entity.Entry_ID 16139 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name caskinSH3 _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 ; GSSHHHHHHSSGLVPRGSSL KVRALKDFWNLHDPTALNVR AGDVITVLEQHPDGRWKGHI HESQRGTDRIGYFPPGIVEV VSKR ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'SH3 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9450 _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 GB 45219846 . CASKIN2 . . . . . . . . . . . . . . 16139 1 2 no PDB 2KE9 . "Nmr Solution Structure Of The Caskin Sh3 Domain" . . . . . 100.00 83 98.81 98.81 6.52e-50 . . . . 16139 1 3 no DBJ BAA86453 . "KIAA1139 protein [Homo sapiens]" . . . . . 77.38 1120 100.00 100.00 6.60e-37 . . . . 16139 1 4 no DBJ BAC98107 . "mKIAA1139 protein [Mus musculus]" . . . . . 77.38 1224 98.46 100.00 1.85e-36 . . . . 16139 1 5 no DBJ BAG62095 . "unnamed protein product [Homo sapiens]" . . . . . 77.38 1120 100.00 100.00 6.86e-37 . . . . 16139 1 6 no DBJ BAG72483 . "CASK interacting protein 2 [synthetic construct]" . . . . . 77.38 1202 100.00 100.00 7.91e-37 . . . . 16139 1 7 no DBJ BAH14307 . "unnamed protein product [Homo sapiens]" . . . . . 77.38 1120 100.00 100.00 6.54e-37 . . . . 16139 1 8 no GB AAH53083 . "CASK-interacting protein 2 [Mus musculus]" . . . . . 77.38 1201 98.46 100.00 1.70e-36 . . . . 16139 1 9 no GB AAH66643 . "CASK interacting protein 2 [Homo sapiens]" . . . . . 77.38 1202 100.00 100.00 7.91e-37 . . . . 16139 1 10 no GB AAL49757 . "cask-interacting protein 2 [Homo sapiens]" . . . . . 77.38 1202 100.00 100.00 7.91e-37 . . . . 16139 1 11 no GB AAL49759 . "cask-interacting protein 2 [Mus musculus]" . . . . . 77.38 1201 98.46 100.00 1.74e-36 . . . . 16139 1 12 no GB EAW89278 . "CASK interacting protein 2 [Homo sapiens]" . . . . . 77.38 1202 100.00 100.00 7.91e-37 . . . . 16139 1 13 no REF NP_001100535 . "caskin-2 [Rattus norvegicus]" . . . . . 77.38 1200 96.92 100.00 2.03e-36 . . . . 16139 1 14 no REF NP_001136115 . "caskin-2 isoform b [Homo sapiens]" . . . . . 77.38 1120 100.00 100.00 6.86e-37 . . . . 16139 1 15 no REF NP_001178177 . "caskin-2 [Bos taurus]" . . . . . 77.38 1193 98.46 100.00 1.20e-36 . . . . 16139 1 16 no REF NP_065804 . "caskin-2 isoform a [Homo sapiens]" . . . . . 77.38 1202 100.00 100.00 8.07e-37 . . . . 16139 1 17 no REF NP_542374 . "caskin-2 [Mus musculus]" . . . . . 77.38 1201 98.46 100.00 1.70e-36 . . . . 16139 1 18 no SP Q8VHK1 . "RecName: Full=Caskin-2" . . . . . 77.38 1201 98.46 100.00 1.70e-36 . . . . 16139 1 19 no SP Q8WXE0 . "RecName: Full=Caskin-2; AltName: Full=CASK-interacting protein 2" . . . . . 77.38 1202 100.00 100.00 8.07e-37 . . . . 16139 1 20 no TPG DAA18141 . "TPA: CASK interacting protein 2 [Bos taurus]" . . . . . 77.38 1193 98.46 100.00 1.24e-36 . . . . 16139 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'SH3 domain' 16139 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 -16 GLY . 16139 1 2 -15 SER . 16139 1 3 -14 SER . 16139 1 4 -13 HIS . 16139 1 5 -12 HIS . 16139 1 6 -11 HIS . 16139 1 7 -10 HIS . 16139 1 8 -9 HIS . 16139 1 9 -8 HIS . 16139 1 10 -7 SER . 16139 1 11 -6 SER . 16139 1 12 -5 GLY . 16139 1 13 -4 LEU . 16139 1 14 -3 VAL . 16139 1 15 -2 PRO . 16139 1 16 -1 ARG . 16139 1 17 0 GLY . 16139 1 18 1 SER . 16139 1 19 2 SER . 16139 1 20 3 LEU . 16139 1 21 4 LYS . 16139 1 22 5 VAL . 16139 1 23 6 ARG . 16139 1 24 7 ALA . 16139 1 25 8 LEU . 16139 1 26 9 LYS . 16139 1 27 10 ASP . 16139 1 28 11 PHE . 16139 1 29 12 TRP . 16139 1 30 13 ASN . 16139 1 31 14 LEU . 16139 1 32 15 HIS . 16139 1 33 16 ASP . 16139 1 34 17 PRO . 16139 1 35 18 THR . 16139 1 36 19 ALA . 16139 1 37 20 LEU . 16139 1 38 21 ASN . 16139 1 39 22 VAL . 16139 1 40 23 ARG . 16139 1 41 24 ALA . 16139 1 42 25 GLY . 16139 1 43 26 ASP . 16139 1 44 27 VAL . 16139 1 45 28 ILE . 16139 1 46 29 THR . 16139 1 47 30 VAL . 16139 1 48 31 LEU . 16139 1 49 32 GLU . 16139 1 50 33 GLN . 16139 1 51 34 HIS . 16139 1 52 35 PRO . 16139 1 53 36 ASP . 16139 1 54 37 GLY . 16139 1 55 38 ARG . 16139 1 56 39 TRP . 16139 1 57 40 LYS . 16139 1 58 41 GLY . 16139 1 59 42 HIS . 16139 1 60 43 ILE . 16139 1 61 44 HIS . 16139 1 62 45 GLU . 16139 1 63 46 SER . 16139 1 64 47 GLN . 16139 1 65 48 ARG . 16139 1 66 49 GLY . 16139 1 67 50 THR . 16139 1 68 51 ASP . 16139 1 69 52 ARG . 16139 1 70 53 ILE . 16139 1 71 54 GLY . 16139 1 72 55 TYR . 16139 1 73 56 PHE . 16139 1 74 57 PRO . 16139 1 75 58 PRO . 16139 1 76 59 GLY . 16139 1 77 60 ILE . 16139 1 78 61 VAL . 16139 1 79 62 GLU . 16139 1 80 63 VAL . 16139 1 81 64 VAL . 16139 1 82 65 SER . 16139 1 83 66 LYS . 16139 1 84 67 ARG . 16139 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 16139 1 . SER 2 2 16139 1 . SER 3 3 16139 1 . HIS 4 4 16139 1 . HIS 5 5 16139 1 . HIS 6 6 16139 1 . HIS 7 7 16139 1 . HIS 8 8 16139 1 . HIS 9 9 16139 1 . SER 10 10 16139 1 . SER 11 11 16139 1 . GLY 12 12 16139 1 . LEU 13 13 16139 1 . VAL 14 14 16139 1 . PRO 15 15 16139 1 . ARG 16 16 16139 1 . GLY 17 17 16139 1 . SER 18 18 16139 1 . SER 19 19 16139 1 . LEU 20 20 16139 1 . LYS 21 21 16139 1 . VAL 22 22 16139 1 . ARG 23 23 16139 1 . ALA 24 24 16139 1 . LEU 25 25 16139 1 . LYS 26 26 16139 1 . ASP 27 27 16139 1 . PHE 28 28 16139 1 . TRP 29 29 16139 1 . ASN 30 30 16139 1 . LEU 31 31 16139 1 . HIS 32 32 16139 1 . ASP 33 33 16139 1 . PRO 34 34 16139 1 . THR 35 35 16139 1 . ALA 36 36 16139 1 . LEU 37 37 16139 1 . ASN 38 38 16139 1 . VAL 39 39 16139 1 . ARG 40 40 16139 1 . ALA 41 41 16139 1 . GLY 42 42 16139 1 . ASP 43 43 16139 1 . VAL 44 44 16139 1 . ILE 45 45 16139 1 . THR 46 46 16139 1 . VAL 47 47 16139 1 . LEU 48 48 16139 1 . GLU 49 49 16139 1 . GLN 50 50 16139 1 . HIS 51 51 16139 1 . PRO 52 52 16139 1 . ASP 53 53 16139 1 . GLY 54 54 16139 1 . ARG 55 55 16139 1 . TRP 56 56 16139 1 . LYS 57 57 16139 1 . GLY 58 58 16139 1 . HIS 59 59 16139 1 . ILE 60 60 16139 1 . HIS 61 61 16139 1 . GLU 62 62 16139 1 . SER 63 63 16139 1 . GLN 64 64 16139 1 . ARG 65 65 16139 1 . GLY 66 66 16139 1 . THR 67 67 16139 1 . ASP 68 68 16139 1 . ARG 69 69 16139 1 . ILE 70 70 16139 1 . GLY 71 71 16139 1 . TYR 72 72 16139 1 . PHE 73 73 16139 1 . PRO 74 74 16139 1 . PRO 75 75 16139 1 . GLY 76 76 16139 1 . ILE 77 77 16139 1 . VAL 78 78 16139 1 . GLU 79 79 16139 1 . VAL 80 80 16139 1 . VAL 81 81 16139 1 . SER 82 82 16139 1 . LYS 83 83 16139 1 . ARG 84 84 16139 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 16139 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $caskinSH3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 16139 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 16139 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $caskinSH3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3) . . . . pET28 . . 'amino terminal His6 affinity tag and intervening thrombin site' 16139 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16139 _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 caskinSH3 '[U-98% 13C; U-98% 15N]' . . 1 $caskinSH3 . . 0.6 . . mM . . . . 16139 1 2 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 16139 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16139 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16139 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16139 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 16139 _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' 0.15 . M 16139 1 pH 7.8 . pH 16139 1 pressure 1 . atm 16139 1 temperature 293 . K 16139 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16139 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16139 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16139 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16139 _Software.ID 2 _Software.Name NMRView _Software.Version 5.1 _Software.Details 'custom OS X version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16139 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16139 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16139 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16139 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16139 3 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 16139 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with Gen3 salt-tolerant cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model NMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16139 _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 NMRS . 600 'with Gen3 salt-tolerant cold probe' . . 16139 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 16139 _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 . . . . . . . . . . . . . . . . 16139 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16139 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16139 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16139 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16139 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16139 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16139 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16139 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16139 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 16139 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shifts were analyzed with PREDITOR (Wishart Laboratory). The following corrections were made: CA = -0.09, CB = 0.16, CO = -0.05, HA = 0.13, N = 2.14, HN = 0.11. ; 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 . . . . . . . . . 16139 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16139 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16139 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_assignments_cask33 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_cask33 _Assigned_chem_shift_list.Entry_ID 16139 _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 . _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 '2D 1H-15N HSQC' . . . 16139 1 2 '2D 1H-13C HSQC' . . . 16139 1 3 '3D CBCA(CO)NH' . . . 16139 1 4 '3D C(CO)NH' . . . 16139 1 7 '3D H(CCO)NH' . . . 16139 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 2 $NMRView . . 16139 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 19 19 SER HA H 1 3.96 . . . . . . . 2 SER HA . 16139 1 2 . 1 1 19 19 SER HB2 H 1 4.48 . . . . . . . 2 SER HB2 . 16139 1 3 . 1 1 19 19 SER C C 13 173.20 . . . . . . . 2 SER C . 16139 1 4 . 1 1 19 19 SER CA C 13 57.65 . . . . . . . 2 SER CA . 16139 1 5 . 1 1 19 19 SER CB C 13 64.47 . . . . . . . 2 SER CB . 16139 1 6 . 1 1 20 20 LEU H H 1 8.70 . . . . . . . 3 LEU HN . 16139 1 7 . 1 1 20 20 LEU HA H 1 4.59 . . . . . . . 3 LEU HA . 16139 1 8 . 1 1 20 20 LEU HB2 H 1 1.33 . . . . . . . 3 LEU HB1 . 16139 1 9 . 1 1 20 20 LEU HB3 H 1 1.66 . . . . . . . 3 LEU HB2 . 16139 1 10 . 1 1 20 20 LEU HD11 H 1 0.84 . . . . . . . 3 LEU HD11 . 16139 1 11 . 1 1 20 20 LEU HD12 H 1 0.84 . . . . . . . 3 LEU HD11 . 16139 1 12 . 1 1 20 20 LEU HD13 H 1 0.84 . . . . . . . 3 LEU HD11 . 16139 1 13 . 1 1 20 20 LEU HD21 H 1 0.85 . . . . . . . 3 LEU HD21 . 16139 1 14 . 1 1 20 20 LEU HD22 H 1 0.85 . . . . . . . 3 LEU HD21 . 16139 1 15 . 1 1 20 20 LEU HD23 H 1 0.85 . . . . . . . 3 LEU HD21 . 16139 1 16 . 1 1 20 20 LEU HG H 1 1.30 . . . . . . . 3 LEU HG . 16139 1 17 . 1 1 20 20 LEU C C 13 176.91 . . . . . . . 3 LEU C . 16139 1 18 . 1 1 20 20 LEU CA C 13 55.78 . . . . . . . 3 LEU CA . 16139 1 19 . 1 1 20 20 LEU CB C 13 43.84 . . . . . . . 3 LEU CB . 16139 1 20 . 1 1 20 20 LEU CD1 C 13 25.93 . . . . . . . 3 LEU CD1 . 16139 1 21 . 1 1 20 20 LEU CD2 C 13 21.98 . . . . . . . 3 LEU CD2 . 16139 1 22 . 1 1 20 20 LEU CG C 13 25.83 . . . . . . . 3 LEU CG . 16139 1 23 . 1 1 20 20 LEU N N 15 128.41 . . . . . . . 3 LEU N . 16139 1 24 . 1 1 21 21 LYS H H 1 7.69 . . . . . . . 4 LYS HN . 16139 1 25 . 1 1 21 21 LYS HA H 1 5.55 . . . . . . . 4 LYS HA . 16139 1 26 . 1 1 21 21 LYS HB2 H 1 1.53 . . . . . . . 4 LYS HB1 . 16139 1 27 . 1 1 21 21 LYS HB3 H 1 1.71 . . . . . . . 4 LYS HB2 . 16139 1 28 . 1 1 21 21 LYS HD2 H 1 0.86 . . . . . . . 4 LYS HD1 . 16139 1 29 . 1 1 21 21 LYS HD3 H 1 1.59 . . . . . . . 4 LYS HD2 . 16139 1 30 . 1 1 21 21 LYS HE2 H 1 2.87 . . . . . . . 4 LYS HE2 . 16139 1 31 . 1 1 21 21 LYS HG2 H 1 1.41 . . . . . . . 4 LYS HG1 . 16139 1 32 . 1 1 21 21 LYS HG3 H 1 1.38 . . . . . . . 4 LYS HG2 . 16139 1 33 . 1 1 21 21 LYS C C 13 175.72 . . . . . . . 4 LYS C . 16139 1 34 . 1 1 21 21 LYS CA C 13 54.84 . . . . . . . 4 LYS CA . 16139 1 35 . 1 1 21 21 LYS CB C 13 34.47 . . . . . . . 4 LYS CB . 16139 1 36 . 1 1 21 21 LYS CD C 13 29.02 . . . . . . . 4 LYS CD . 16139 1 37 . 1 1 21 21 LYS CE C 13 41.97 . . . . . . . 4 LYS CE . 16139 1 38 . 1 1 21 21 LYS CG C 13 25.03 . . . . . . . 4 LYS CG . 16139 1 39 . 1 1 21 21 LYS N N 15 116.85 . . . . . . . 4 LYS N . 16139 1 40 . 1 1 22 22 VAL H H 1 9.24 . . . . . . . 5 VAL HN . 16139 1 41 . 1 1 22 22 VAL HA H 1 5.32 . . . . . . . 5 VAL HA . 16139 1 42 . 1 1 22 22 VAL HB H 1 2.12 . . . . . . . 5 VAL HB . 16139 1 43 . 1 1 22 22 VAL HG11 H 1 1.03 . . . . . . . 5 VAL HG11 . 16139 1 44 . 1 1 22 22 VAL HG12 H 1 1.03 . . . . . . . 5 VAL HG11 . 16139 1 45 . 1 1 22 22 VAL HG13 H 1 1.03 . . . . . . . 5 VAL HG11 . 16139 1 46 . 1 1 22 22 VAL HG21 H 1 0.85 . . . . . . . 5 VAL HG21 . 16139 1 47 . 1 1 22 22 VAL HG22 H 1 0.85 . . . . . . . 5 VAL HG21 . 16139 1 48 . 1 1 22 22 VAL HG23 H 1 0.85 . . . . . . . 5 VAL HG21 . 16139 1 49 . 1 1 22 22 VAL C C 13 172.43 . . . . . . . 5 VAL C . 16139 1 50 . 1 1 22 22 VAL CA C 13 58.59 . . . . . . . 5 VAL CA . 16139 1 51 . 1 1 22 22 VAL CB C 13 35.41 . . . . . . . 5 VAL CB . 16139 1 52 . 1 1 22 22 VAL CG1 C 13 21.99 . . . . . . . 5 VAL CG1 . 16139 1 53 . 1 1 22 22 VAL CG2 C 13 19.95 . . . . . . . 5 VAL CG2 . 16139 1 54 . 1 1 22 22 VAL N N 15 116.83 . . . . . . . 5 VAL N . 16139 1 55 . 1 1 23 23 ARG H H 1 9.42 . . . . . . . 6 ARG HN . 16139 1 56 . 1 1 23 23 ARG HA H 1 5.52 . . . . . . . 6 ARG HA . 16139 1 57 . 1 1 23 23 ARG HB2 H 1 1.48 . . . . . . . 6 ARG HB1 . 16139 1 58 . 1 1 23 23 ARG HB3 H 1 1.71 . . . . . . . 6 ARG HB2 . 16139 1 59 . 1 1 23 23 ARG HD2 H 1 3.17 . . . . . . . 6 ARG HD1 . 16139 1 60 . 1 1 23 23 ARG HD3 H 1 3.17 . . . . . . . 6 ARG HD2 . 16139 1 61 . 1 1 23 23 ARG HG2 H 1 1.39 . . . . . . . 6 ARG HG1 . 16139 1 62 . 1 1 23 23 ARG HG3 H 1 1.39 . . . . . . . 6 ARG HG2 . 16139 1 63 . 1 1 23 23 ARG C C 13 175.69 . . . . . . . 6 ARG C . 16139 1 64 . 1 1 23 23 ARG CA C 13 52.97 . . . . . . . 6 ARG CA . 16139 1 65 . 1 1 23 23 ARG CB C 13 33.53 . . . . . . . 6 ARG CB . 16139 1 66 . 1 1 23 23 ARG CD C 13 43.50 . . . . . . . 6 ARG CD . 16139 1 67 . 1 1 23 23 ARG CG C 13 26.99 . . . . . . . 6 ARG CG . 16139 1 68 . 1 1 23 23 ARG N N 15 123.50 . . . . . . . 6 ARG N . 16139 1 69 . 1 1 24 24 ALA H H 1 9.13 . . . . . . . 7 ALA HN . 16139 1 70 . 1 1 24 24 ALA HA H 1 4.45 . . . . . . . 7 ALA HA . 16139 1 71 . 1 1 24 24 ALA HB1 H 1 1.38 . . . . . . . 7 ALA HB1 . 16139 1 72 . 1 1 24 24 ALA HB2 H 1 1.38 . . . . . . . 7 ALA HB1 . 16139 1 73 . 1 1 24 24 ALA HB3 H 1 1.38 . . . . . . . 7 ALA HB1 . 16139 1 74 . 1 1 24 24 ALA C C 13 178.39 . . . . . . . 7 ALA C . 16139 1 75 . 1 1 24 24 ALA CA C 13 52.21 . . . . . . . 7 ALA CA . 16139 1 76 . 1 1 24 24 ALA CB C 13 19.49 . . . . . . . 7 ALA CB . 16139 1 77 . 1 1 24 24 ALA N N 15 129.27 . . . . . . . 7 ALA N . 16139 1 78 . 1 1 25 25 LEU H H 1 9.77 . . . . . . . 8 LEU HN . 16139 1 79 . 1 1 25 25 LEU HA H 1 4.46 . . . . . . . 8 LEU HA . 16139 1 80 . 1 1 25 25 LEU HB2 H 1 1.56 . . . . . . . 8 LEU HB1 . 16139 1 81 . 1 1 25 25 LEU HB3 H 1 1.56 . . . . . . . 8 LEU HB2 . 16139 1 82 . 1 1 25 25 LEU HD11 H 1 0.78 . . . . . . . 8 LEU HD11 . 16139 1 83 . 1 1 25 25 LEU HD12 H 1 0.78 . . . . . . . 8 LEU HD11 . 16139 1 84 . 1 1 25 25 LEU HD13 H 1 0.78 . . . . . . . 8 LEU HD11 . 16139 1 85 . 1 1 25 25 LEU HD21 H 1 0.77 . . . . . . . 8 LEU HD21 . 16139 1 86 . 1 1 25 25 LEU HD22 H 1 0.77 . . . . . . . 8 LEU HD21 . 16139 1 87 . 1 1 25 25 LEU HD23 H 1 0.77 . . . . . . . 8 LEU HD21 . 16139 1 88 . 1 1 25 25 LEU HG H 1 1.57 . . . . . . . 8 LEU HG . 16139 1 89 . 1 1 25 25 LEU C C 13 175.99 . . . . . . . 8 LEU C . 16139 1 90 . 1 1 25 25 LEU CA C 13 55.01 . . . . . . . 8 LEU CA . 16139 1 91 . 1 1 25 25 LEU CB C 13 43.22 . . . . . . . 8 LEU CB . 16139 1 92 . 1 1 25 25 LEU CD1 C 13 22.45 . . . . . . . 8 LEU CD1 . 16139 1 93 . 1 1 25 25 LEU CD2 C 13 25.31 . . . . . . . 8 LEU CD2 . 16139 1 94 . 1 1 25 25 LEU CG C 13 27.55 . . . . . . . 8 LEU CG . 16139 1 95 . 1 1 25 25 LEU N N 15 127.04 . . . . . . . 8 LEU N . 16139 1 96 . 1 1 26 26 LYS H H 1 7.51 . . . . . . . 9 LYS HN . 16139 1 97 . 1 1 26 26 LYS HA H 1 4.70 . . . . . . . 9 LYS HA . 16139 1 98 . 1 1 26 26 LYS HB2 H 1 1.99 . . . . . . . 9 LYS HB1 . 16139 1 99 . 1 1 26 26 LYS HB3 H 1 1.99 . . . . . . . 9 LYS HB2 . 16139 1 100 . 1 1 26 26 LYS HD2 H 1 1.68 . . . . . . . 9 LYS HD1 . 16139 1 101 . 1 1 26 26 LYS HD3 H 1 1.68 . . . . . . . 9 LYS HD2 . 16139 1 102 . 1 1 26 26 LYS HE2 H 1 2.98 . . . . . . . 9 LYS HE2 . 16139 1 103 . 1 1 26 26 LYS HG2 H 1 1.38 . . . . . . . 9 LYS HG1 . 16139 1 104 . 1 1 26 26 LYS HG3 H 1 1.38 . . . . . . . 9 LYS HG2 . 16139 1 105 . 1 1 26 26 LYS C C 13 172.36 . . . . . . . 9 LYS C . 16139 1 106 . 1 1 26 26 LYS CA C 13 53.90 . . . . . . . 9 LYS CA . 16139 1 107 . 1 1 26 26 LYS CB C 13 36.34 . . . . . . . 9 LYS CB . 16139 1 108 . 1 1 26 26 LYS CD C 13 29.20 . . . . . . . 9 LYS CD . 16139 1 109 . 1 1 26 26 LYS CE C 13 41.96 . . . . . . . 9 LYS CE . 16139 1 110 . 1 1 26 26 LYS CG C 13 23.50 . . . . . . . 9 LYS CG . 16139 1 111 . 1 1 26 26 LYS N N 15 117.04 . . . . . . . 9 LYS N . 16139 1 112 . 1 1 27 27 ASP H H 1 8.26 . . . . . . . 10 ASP HN . 16139 1 113 . 1 1 27 27 ASP HA H 1 4.78 . . . . . . . 10 ASP HA . 16139 1 114 . 1 1 27 27 ASP HB2 H 1 2.62 . . . . . . . 10 ASP HB1 . 16139 1 115 . 1 1 27 27 ASP HB3 H 1 2.71 . . . . . . . 10 ASP HB2 . 16139 1 116 . 1 1 27 27 ASP C C 13 176.24 . . . . . . . 10 ASP C . 16139 1 117 . 1 1 27 27 ASP CA C 13 53.90 . . . . . . . 10 ASP CA . 16139 1 118 . 1 1 27 27 ASP CB C 13 41.97 . . . . . . . 10 ASP CB . 16139 1 119 . 1 1 27 27 ASP N N 15 119.11 . . . . . . . 10 ASP N . 16139 1 120 . 1 1 28 28 PHE H H 1 9.22 . . . . . . . 11 PHE HN . 16139 1 121 . 1 1 28 28 PHE HA H 1 3.24 . . . . . . . 11 PHE HA . 16139 1 122 . 1 1 28 28 PHE HB2 H 1 2.76 . . . . . . . 11 PHE HB1 . 16139 1 123 . 1 1 28 28 PHE HB3 H 1 3.11 . . . . . . . 11 PHE HB2 . 16139 1 124 . 1 1 28 28 PHE HD1 H 1 7.54 . . . . . . . 11 PHE HD1 . 16139 1 125 . 1 1 28 28 PHE HD2 H 1 7.00 . . . . . . . 11 PHE HD2 . 16139 1 126 . 1 1 28 28 PHE HE1 H 1 6.97 . . . . . . . 11 PHE HE1 . 16139 1 127 . 1 1 28 28 PHE C C 13 171.35 . . . . . . . 11 PHE C . 16139 1 128 . 1 1 28 28 PHE CA C 13 58.59 . . . . . . . 11 PHE CA . 16139 1 129 . 1 1 28 28 PHE CB C 13 43.09 . . . . . . . 11 PHE CB . 16139 1 130 . 1 1 28 28 PHE CD1 C 13 129.41 . . . . . . . 11 PHE CD1 . 16139 1 131 . 1 1 28 28 PHE CD2 C 13 130.54 . . . . . . . 11 PHE CD2 . 16139 1 132 . 1 1 28 28 PHE CE1 C 13 130.54 . . . . . . . 11 PHE CE1 . 16139 1 133 . 1 1 28 28 PHE N N 15 123.83 . . . . . . . 11 PHE N . 16139 1 134 . 1 1 29 29 TRP H H 1 7.91 . . . . . . . 12 TRP HN . 16139 1 135 . 1 1 29 29 TRP HA H 1 4.96 . . . . . . . 12 TRP HA . 16139 1 136 . 1 1 29 29 TRP HB2 H 1 2.91 . . . . . . . 12 TRP HB1 . 16139 1 137 . 1 1 29 29 TRP HB3 H 1 3.01 . . . . . . . 12 TRP HB2 . 16139 1 138 . 1 1 29 29 TRP HD1 H 1 6.91 . . . . . . . 12 TRP HD1 . 16139 1 139 . 1 1 29 29 TRP HE1 H 1 10.03 . . . . . . . 12 TRP HE1 . 16139 1 140 . 1 1 29 29 TRP HE3 H 1 6.80 . . . . . . . 12 TRP HE3 . 16139 1 141 . 1 1 29 29 TRP HH2 H 1 7.23 . . . . . . . 12 TRP HH2 . 16139 1 142 . 1 1 29 29 TRP HZ2 H 1 7.39 . . . . . . . 12 TRP HZ2 . 16139 1 143 . 1 1 29 29 TRP HZ3 H 1 6.89 . . . . . . . 12 TRP HZ3 . 16139 1 144 . 1 1 29 29 TRP C C 13 174.71 . . . . . . . 12 TRP C . 16139 1 145 . 1 1 29 29 TRP CA C 13 55.78 . . . . . . . 12 TRP CA . 16139 1 146 . 1 1 29 29 TRP CB C 13 30.72 . . . . . . . 12 TRP CB . 16139 1 147 . 1 1 29 29 TRP N N 15 128.70 . . . . . . . 12 TRP N . 16139 1 148 . 1 1 29 29 TRP NE1 N 15 128.82 . . . . . . . 12 TRP NE1 . 16139 1 149 . 1 1 30 30 ASN H H 1 8.58 . . . . . . . 13 ASN HN . 16139 1 150 . 1 1 30 30 ASN HA H 1 4.56 . . . . . . . 13 ASN HA . 16139 1 151 . 1 1 30 30 ASN C C 13 174.72 . . . . . . . 13 ASN C . 16139 1 152 . 1 1 30 30 ASN CA C 13 52.97 . . . . . . . 13 ASN CA . 16139 1 153 . 1 1 30 30 ASN N N 15 128.36 . . . . . . . 13 ASN N . 16139 1 154 . 1 1 31 31 LEU H H 1 8.63 . . . . . . . 14 LEU HN . 16139 1 155 . 1 1 31 31 LEU HA H 1 5.28 . . . . . . . 14 LEU HA . 16139 1 156 . 1 1 31 31 LEU HB2 H 1 2.55 . . . . . . . 14 LEU HB2 . 16139 1 157 . 1 1 31 31 LEU HD11 H 1 0.90 . . . . . . . 14 LEU HD11 . 16139 1 158 . 1 1 31 31 LEU HD12 H 1 0.90 . . . . . . . 14 LEU HD11 . 16139 1 159 . 1 1 31 31 LEU HD13 H 1 0.90 . . . . . . . 14 LEU HD11 . 16139 1 160 . 1 1 31 31 LEU HD21 H 1 0.90 . . . . . . . 14 LEU HD21 . 16139 1 161 . 1 1 31 31 LEU HD22 H 1 0.90 . . . . . . . 14 LEU HD21 . 16139 1 162 . 1 1 31 31 LEU HD23 H 1 0.90 . . . . . . . 14 LEU HD21 . 16139 1 163 . 1 1 31 31 LEU HG H 1 1.66 . . . . . . . 14 LEU HG . 16139 1 164 . 1 1 31 31 LEU C C 13 175.38 . . . . . . . 14 LEU C . 16139 1 165 . 1 1 31 31 LEU CA C 13 54.31 . . . . . . . 14 LEU CA . 16139 1 166 . 1 1 31 31 LEU CB C 13 43.36 . . . . . . . 14 LEU CB . 16139 1 167 . 1 1 31 31 LEU CD1 C 13 20.26 . . . . . . . 14 LEU CD1 . 16139 1 168 . 1 1 31 31 LEU CD2 C 13 20.26 . . . . . . . 14 LEU CD2 . 16139 1 169 . 1 1 31 31 LEU N N 15 124.55 . . . . . . . 14 LEU N . 16139 1 170 . 1 1 32 32 HIS H H 1 8.82 . . . . . . . 15 HIS HN . 16139 1 171 . 1 1 32 32 HIS CA C 13 54.84 . . . . . . . 15 HIS CA . 16139 1 172 . 1 1 32 32 HIS CB C 13 33.53 . . . . . . . 15 HIS CB . 16139 1 173 . 1 1 32 32 HIS N N 15 124.01 . . . . . . . 15 HIS N . 16139 1 174 . 1 1 34 34 PRO HA H 1 4.72 . . . . . . . 17 PRO HA . 16139 1 175 . 1 1 34 34 PRO HB2 H 1 2.12 . . . . . . . 17 PRO HB1 . 16139 1 176 . 1 1 34 34 PRO HB3 H 1 2.46 . . . . . . . 17 PRO HB2 . 16139 1 177 . 1 1 34 34 PRO HD2 H 1 3.96 . . . . . . . 17 PRO HD1 . 16139 1 178 . 1 1 34 34 PRO HD3 H 1 4.09 . . . . . . . 17 PRO HD2 . 16139 1 179 . 1 1 34 34 PRO HG2 H 1 2.06 . . . . . . . 17 PRO HG1 . 16139 1 180 . 1 1 34 34 PRO HG3 H 1 2.12 . . . . . . . 17 PRO HG2 . 16139 1 181 . 1 1 34 34 PRO C C 13 177.25 . . . . . . . 17 PRO C . 16139 1 182 . 1 1 34 34 PRO CA C 13 64.22 . . . . . . . 17 PRO CA . 16139 1 183 . 1 1 34 34 PRO CB C 13 32.59 . . . . . . . 17 PRO CB . 16139 1 184 . 1 1 34 34 PRO CD C 13 51.22 . . . . . . . 17 PRO CD . 16139 1 185 . 1 1 34 34 PRO CG C 13 26.87 . . . . . . . 17 PRO CG . 16139 1 186 . 1 1 35 35 THR H H 1 8.52 . . . . . . . 18 THR HN . 16139 1 187 . 1 1 35 35 THR HA H 1 4.78 . . . . . . . 18 THR HA . 16139 1 188 . 1 1 35 35 THR HB H 1 4.07 . . . . . . . 18 THR HB . 16139 1 189 . 1 1 35 35 THR HG21 H 1 1.31 . . . . . . . 18 THR HG21 . 16139 1 190 . 1 1 35 35 THR HG22 H 1 1.31 . . . . . . . 18 THR HG21 . 16139 1 191 . 1 1 35 35 THR HG23 H 1 1.31 . . . . . . . 18 THR HG21 . 16139 1 192 . 1 1 35 35 THR C C 13 174.33 . . . . . . . 18 THR C . 16139 1 193 . 1 1 35 35 THR CA C 13 61.82 . . . . . . . 18 THR CA . 16139 1 194 . 1 1 35 35 THR CB C 13 70.09 . . . . . . . 18 THR CB . 16139 1 195 . 1 1 35 35 THR CG2 C 13 22.11 . . . . . . . 18 THR CG2 . 16139 1 196 . 1 1 35 35 THR N N 15 110.81 . . . . . . . 18 THR N . 16139 1 197 . 1 1 36 36 ALA H H 1 7.81 . . . . . . . 19 ALA HN . 16139 1 198 . 1 1 36 36 ALA HA H 1 4.97 . . . . . . . 19 ALA HA . 16139 1 199 . 1 1 36 36 ALA HB1 H 1 0.89 . . . . . . . 19 ALA HB1 . 16139 1 200 . 1 1 36 36 ALA HB2 H 1 0.89 . . . . . . . 19 ALA HB1 . 16139 1 201 . 1 1 36 36 ALA HB3 H 1 0.89 . . . . . . . 19 ALA HB1 . 16139 1 202 . 1 1 36 36 ALA C C 13 176.79 . . . . . . . 19 ALA C . 16139 1 203 . 1 1 36 36 ALA CA C 13 52.03 . . . . . . . 19 ALA CA . 16139 1 204 . 1 1 36 36 ALA CB C 13 20.97 . . . . . . . 19 ALA CB . 16139 1 205 . 1 1 36 36 ALA N N 15 127.79 . . . . . . . 19 ALA N . 16139 1 206 . 1 1 37 37 LEU H H 1 9.26 . . . . . . . 20 LEU HN . 16139 1 207 . 1 1 37 37 LEU HA H 1 4.34 . . . . . . . 20 LEU HA . 16139 1 208 . 1 1 37 37 LEU HB2 H 1 0.96 . . . . . . . 20 LEU HB1 . 16139 1 209 . 1 1 37 37 LEU HB3 H 1 1.72 . . . . . . . 20 LEU HB2 . 16139 1 210 . 1 1 37 37 LEU HD11 H 1 0.69 . . . . . . . 20 LEU HD11 . 16139 1 211 . 1 1 37 37 LEU HD12 H 1 0.69 . . . . . . . 20 LEU HD11 . 16139 1 212 . 1 1 37 37 LEU HD13 H 1 0.69 . . . . . . . 20 LEU HD11 . 16139 1 213 . 1 1 37 37 LEU HD21 H 1 0.53 . . . . . . . 20 LEU HD21 . 16139 1 214 . 1 1 37 37 LEU HD22 H 1 0.53 . . . . . . . 20 LEU HD21 . 16139 1 215 . 1 1 37 37 LEU HD23 H 1 0.53 . . . . . . . 20 LEU HD21 . 16139 1 216 . 1 1 37 37 LEU HG H 1 0.95 . . . . . . . 20 LEU HG . 16139 1 217 . 1 1 37 37 LEU C C 13 173.97 . . . . . . . 20 LEU C . 16139 1 218 . 1 1 37 37 LEU CA C 13 53.90 . . . . . . . 20 LEU CA . 16139 1 219 . 1 1 37 37 LEU CB C 13 44.18 . . . . . . . 20 LEU CB . 16139 1 220 . 1 1 37 37 LEU CD1 C 13 22.91 . . . . . . . 20 LEU CD1 . 16139 1 221 . 1 1 37 37 LEU CD2 C 13 25.93 . . . . . . . 20 LEU CD2 . 16139 1 222 . 1 1 37 37 LEU CG C 13 25.85 . . . . . . . 20 LEU CG . 16139 1 223 . 1 1 37 37 LEU N N 15 128.13 . . . . . . . 20 LEU N . 16139 1 224 . 1 1 38 38 ASN H H 1 8.25 . . . . . . . 21 ASN HN . 16139 1 225 . 1 1 38 38 ASN HA H 1 5.05 . . . . . . . 21 ASN HA . 16139 1 226 . 1 1 38 38 ASN HB2 H 1 2.06 . . . . . . . 21 ASN HB1 . 16139 1 227 . 1 1 38 38 ASN HB3 H 1 2.06 . . . . . . . 21 ASN HB2 . 16139 1 228 . 1 1 38 38 ASN HD21 H 1 6.88 . . . . . . . 21 ASN HD21 . 16139 1 229 . 1 1 38 38 ASN HD22 H 1 6.19 . . . . . . . 21 ASN HD22 . 16139 1 230 . 1 1 38 38 ASN C C 13 174.42 . . . . . . . 21 ASN C . 16139 1 231 . 1 1 38 38 ASN CA C 13 52.97 . . . . . . . 21 ASN CA . 16139 1 232 . 1 1 38 38 ASN CB C 13 37.66 . . . . . . . 21 ASN CB . 16139 1 233 . 1 1 38 38 ASN N N 15 125.83 . . . . . . . 21 ASN N . 16139 1 234 . 1 1 39 39 VAL H H 1 9.33 . . . . . . . 22 VAL HN . 16139 1 235 . 1 1 39 39 VAL HA H 1 4.27 . . . . . . . 22 VAL HA . 16139 1 236 . 1 1 39 39 VAL HB H 1 2.14 . . . . . . . 22 VAL HB . 16139 1 237 . 1 1 39 39 VAL HG11 H 1 0.78 . . . . . . . 22 VAL HG11 . 16139 1 238 . 1 1 39 39 VAL HG12 H 1 0.78 . . . . . . . 22 VAL HG11 . 16139 1 239 . 1 1 39 39 VAL HG13 H 1 0.78 . . . . . . . 22 VAL HG11 . 16139 1 240 . 1 1 39 39 VAL HG21 H 1 0.81 . . . . . . . 22 VAL HG21 . 16139 1 241 . 1 1 39 39 VAL HG22 H 1 0.81 . . . . . . . 22 VAL HG21 . 16139 1 242 . 1 1 39 39 VAL HG23 H 1 0.81 . . . . . . . 22 VAL HG21 . 16139 1 243 . 1 1 39 39 VAL C C 13 174.37 . . . . . . . 22 VAL C . 16139 1 244 . 1 1 39 39 VAL CA C 13 61.40 . . . . . . . 22 VAL CA . 16139 1 245 . 1 1 39 39 VAL CB C 13 35.41 . . . . . . . 22 VAL CB . 16139 1 246 . 1 1 39 39 VAL CG1 C 13 23.59 . . . . . . . 22 VAL CG1 . 16139 1 247 . 1 1 39 39 VAL CG2 C 13 21.48 . . . . . . . 22 VAL CG2 . 16139 1 248 . 1 1 39 39 VAL N N 15 127.68 . . . . . . . 22 VAL N . 16139 1 249 . 1 1 40 40 ARG H H 1 9.19 . . . . . . . 23 ARG HN . 16139 1 250 . 1 1 40 40 ARG HA H 1 5.03 . . . . . . . 23 ARG HA . 16139 1 251 . 1 1 40 40 ARG HB2 H 1 1.70 . . . . . . . 23 ARG HB1 . 16139 1 252 . 1 1 40 40 ARG HB3 H 1 1.70 . . . . . . . 23 ARG HB2 . 16139 1 253 . 1 1 40 40 ARG HD2 H 1 3.08 . . . . . . . 23 ARG HD1 . 16139 1 254 . 1 1 40 40 ARG HD3 H 1 3.08 . . . . . . . 23 ARG HD2 . 16139 1 255 . 1 1 40 40 ARG HG2 H 1 1.54 . . . . . . . 23 ARG HG1 . 16139 1 256 . 1 1 40 40 ARG HG3 H 1 1.61 . . . . . . . 23 ARG HG2 . 16139 1 257 . 1 1 40 40 ARG C C 13 175.34 . . . . . . . 23 ARG C . 16139 1 258 . 1 1 40 40 ARG CA C 13 52.97 . . . . . . . 23 ARG CA . 16139 1 259 . 1 1 40 40 ARG CB C 13 32.03 . . . . . . . 23 ARG CB . 16139 1 260 . 1 1 40 40 ARG CD C 13 43.13 . . . . . . . 23 ARG CD . 16139 1 261 . 1 1 40 40 ARG CG C 13 26.77 . . . . . . . 23 ARG CG . 16139 1 262 . 1 1 40 40 ARG N N 15 129.84 . . . . . . . 23 ARG N . 16139 1 263 . 1 1 41 41 ALA H H 1 9.03 . . . . . . . 24 ALA HN . 16139 1 264 . 1 1 41 41 ALA HA H 1 3.43 . . . . . . . 24 ALA HA . 16139 1 265 . 1 1 41 41 ALA HB1 H 1 1.12 . . . . . . . 24 ALA HB1 . 16139 1 266 . 1 1 41 41 ALA HB2 H 1 1.12 . . . . . . . 24 ALA HB1 . 16139 1 267 . 1 1 41 41 ALA HB3 H 1 1.12 . . . . . . . 24 ALA HB1 . 16139 1 268 . 1 1 41 41 ALA C C 13 177.88 . . . . . . . 24 ALA C . 16139 1 269 . 1 1 41 41 ALA CA C 13 53.90 . . . . . . . 24 ALA CA . 16139 1 270 . 1 1 41 41 ALA CB C 13 17.77 . . . . . . . 24 ALA CB . 16139 1 271 . 1 1 41 41 ALA N N 15 126.26 . . . . . . . 24 ALA N . 16139 1 272 . 1 1 42 42 GLY H H 1 8.98 . . . . . . . 25 GLY HN . 16139 1 273 . 1 1 42 42 GLY HA2 H 1 4.60 . . . . . . . 25 GLY HA1 . 16139 1 274 . 1 1 42 42 GLY HA3 H 1 3.57 . . . . . . . 25 GLY HA2 . 16139 1 275 . 1 1 42 42 GLY C C 13 174.28 . . . . . . . 25 GLY C . 16139 1 276 . 1 1 42 42 GLY CA C 13 44.53 . . . . . . . 25 GLY CA . 16139 1 277 . 1 1 42 42 GLY N N 15 114.71 . . . . . . . 25 GLY N . 16139 1 278 . 1 1 43 43 ASP H H 1 8.68 . . . . . . . 26 ASP HN . 16139 1 279 . 1 1 43 43 ASP HA H 1 4.59 . . . . . . . 26 ASP HA . 16139 1 280 . 1 1 43 43 ASP HB2 H 1 2.68 . . . . . . . 26 ASP HB1 . 16139 1 281 . 1 1 43 43 ASP HB3 H 1 2.28 . . . . . . . 26 ASP HB2 . 16139 1 282 . 1 1 43 43 ASP C C 13 174.82 . . . . . . . 26 ASP C . 16139 1 283 . 1 1 43 43 ASP CA C 13 55.78 . . . . . . . 26 ASP CA . 16139 1 284 . 1 1 43 43 ASP CB C 13 41.76 . . . . . . . 26 ASP CB . 16139 1 285 . 1 1 43 43 ASP N N 15 125.05 . . . . . . . 26 ASP N . 16139 1 286 . 1 1 44 44 VAL H H 1 8.52 . . . . . . . 27 VAL HN . 16139 1 287 . 1 1 44 44 VAL HA H 1 4.80 . . . . . . . 27 VAL HA . 16139 1 288 . 1 1 44 44 VAL HB H 1 1.95 . . . . . . . 27 VAL HB . 16139 1 289 . 1 1 44 44 VAL HG11 H 1 0.98 . . . . . . . 27 VAL HG11 . 16139 1 290 . 1 1 44 44 VAL HG12 H 1 0.98 . . . . . . . 27 VAL HG11 . 16139 1 291 . 1 1 44 44 VAL HG13 H 1 0.98 . . . . . . . 27 VAL HG11 . 16139 1 292 . 1 1 44 44 VAL HG21 H 1 0.88 . . . . . . . 27 VAL HG21 . 16139 1 293 . 1 1 44 44 VAL HG22 H 1 0.88 . . . . . . . 27 VAL HG21 . 16139 1 294 . 1 1 44 44 VAL HG23 H 1 0.88 . . . . . . . 27 VAL HG21 . 16139 1 295 . 1 1 44 44 VAL C C 13 175.07 . . . . . . . 27 VAL C . 16139 1 296 . 1 1 44 44 VAL CA C 13 62.34 . . . . . . . 27 VAL CA . 16139 1 297 . 1 1 44 44 VAL CB C 13 32.59 . . . . . . . 27 VAL CB . 16139 1 298 . 1 1 44 44 VAL CG1 C 13 21.82 . . . . . . . 27 VAL CG1 . 16139 1 299 . 1 1 44 44 VAL CG2 C 13 21.23 . . . . . . . 27 VAL CG2 . 16139 1 300 . 1 1 44 44 VAL N N 15 123.62 . . . . . . . 27 VAL N . 16139 1 301 . 1 1 45 45 ILE H H 1 9.37 . . . . . . . 28 ILE HN . 16139 1 302 . 1 1 45 45 ILE HA H 1 4.43 . . . . . . . 28 ILE HA . 16139 1 303 . 1 1 45 45 ILE HB H 1 1.36 . . . . . . . 28 ILE HB . 16139 1 304 . 1 1 45 45 ILE HD11 H 1 -0.01 . . . . . . . 28 ILE HD11 . 16139 1 305 . 1 1 45 45 ILE HD12 H 1 -0.01 . . . . . . . 28 ILE HD11 . 16139 1 306 . 1 1 45 45 ILE HD13 H 1 -0.01 . . . . . . . 28 ILE HD11 . 16139 1 307 . 1 1 45 45 ILE HG12 H 1 1.23 . . . . . . . 28 ILE HG11 . 16139 1 308 . 1 1 45 45 ILE HG13 H 1 1.37 . . . . . . . 28 ILE HG12 . 16139 1 309 . 1 1 45 45 ILE HG21 H 1 0.49 . . . . . . . 28 ILE HG21 . 16139 1 310 . 1 1 45 45 ILE HG22 H 1 0.49 . . . . . . . 28 ILE HG21 . 16139 1 311 . 1 1 45 45 ILE HG23 H 1 0.49 . . . . . . . 28 ILE HG21 . 16139 1 312 . 1 1 45 45 ILE C C 13 175.80 . . . . . . . 28 ILE C . 16139 1 313 . 1 1 45 45 ILE CA C 13 59.92 . . . . . . . 28 ILE CA . 16139 1 314 . 1 1 45 45 ILE CB C 13 41.97 . . . . . . . 28 ILE CB . 16139 1 315 . 1 1 45 45 ILE CD1 C 13 13.96 . . . . . . . 28 ILE CD1 . 16139 1 316 . 1 1 45 45 ILE CG1 C 13 26.88 . . . . . . . 28 ILE CG1 . 16139 1 317 . 1 1 45 45 ILE CG2 C 13 18.29 . . . . . . . 28 ILE CG2 . 16139 1 318 . 1 1 45 45 ILE N N 15 131.26 . . . . . . . 28 ILE N . 16139 1 319 . 1 1 46 46 THR H H 1 9.13 . . . . . . . 29 THR HN . 16139 1 320 . 1 1 46 46 THR HA H 1 4.85 . . . . . . . 29 THR HA . 16139 1 321 . 1 1 46 46 THR HB H 1 4.05 . . . . . . . 29 THR HB . 16139 1 322 . 1 1 46 46 THR HG21 H 1 1.15 . . . . . . . 29 THR HG21 . 16139 1 323 . 1 1 46 46 THR HG22 H 1 1.15 . . . . . . . 29 THR HG21 . 16139 1 324 . 1 1 46 46 THR HG23 H 1 1.15 . . . . . . . 29 THR HG21 . 16139 1 325 . 1 1 46 46 THR C C 13 174.16 . . . . . . . 29 THR C . 16139 1 326 . 1 1 46 46 THR CA C 13 63.28 . . . . . . . 29 THR CA . 16139 1 327 . 1 1 46 46 THR CB C 13 69.16 . . . . . . . 29 THR CB . 16139 1 328 . 1 1 46 46 THR CG2 C 13 21.98 . . . . . . . 29 THR CG2 . 16139 1 329 . 1 1 46 46 THR N N 15 126.43 . . . . . . . 29 THR N . 16139 1 330 . 1 1 47 47 VAL H H 1 9.27 . . . . . . . 30 VAL HN . 16139 1 331 . 1 1 47 47 VAL HA H 1 4.23 . . . . . . . 30 VAL HA . 16139 1 332 . 1 1 47 47 VAL HB H 1 2.05 . . . . . . . 30 VAL HB . 16139 1 333 . 1 1 47 47 VAL HG11 H 1 1.17 . . . . . . . 30 VAL HG11 . 16139 1 334 . 1 1 47 47 VAL HG12 H 1 1.17 . . . . . . . 30 VAL HG11 . 16139 1 335 . 1 1 47 47 VAL HG13 H 1 1.17 . . . . . . . 30 VAL HG11 . 16139 1 336 . 1 1 47 47 VAL HG21 H 1 0.65 . . . . . . . 30 VAL HG21 . 16139 1 337 . 1 1 47 47 VAL HG22 H 1 0.65 . . . . . . . 30 VAL HG21 . 16139 1 338 . 1 1 47 47 VAL HG23 H 1 0.65 . . . . . . . 30 VAL HG21 . 16139 1 339 . 1 1 47 47 VAL C C 13 174.99 . . . . . . . 30 VAL C . 16139 1 340 . 1 1 47 47 VAL CA C 13 64.22 . . . . . . . 30 VAL CA . 16139 1 341 . 1 1 47 47 VAL CB C 13 31.66 . . . . . . . 30 VAL CB . 16139 1 342 . 1 1 47 47 VAL CG1 C 13 24.20 . . . . . . . 30 VAL CG1 . 16139 1 343 . 1 1 47 47 VAL CG2 C 13 21.78 . . . . . . . 30 VAL CG2 . 16139 1 344 . 1 1 47 47 VAL N N 15 131.19 . . . . . . . 30 VAL N . 16139 1 345 . 1 1 48 48 LEU H H 1 9.40 . . . . . . . 31 LEU HN . 16139 1 346 . 1 1 48 48 LEU HA H 1 3.84 . . . . . . . 31 LEU HA . 16139 1 347 . 1 1 48 48 LEU HB2 H 1 1.15 . . . . . . . 31 LEU HB1 . 16139 1 348 . 1 1 48 48 LEU HB3 H 1 1.28 . . . . . . . 31 LEU HB2 . 16139 1 349 . 1 1 48 48 LEU HD11 H 1 0.61 . . . . . . . 31 LEU HD11 . 16139 1 350 . 1 1 48 48 LEU HD12 H 1 0.61 . . . . . . . 31 LEU HD11 . 16139 1 351 . 1 1 48 48 LEU HD13 H 1 0.61 . . . . . . . 31 LEU HD11 . 16139 1 352 . 1 1 48 48 LEU HD21 H 1 0.71 . . . . . . . 31 LEU HD21 . 16139 1 353 . 1 1 48 48 LEU HD22 H 1 0.71 . . . . . . . 31 LEU HD21 . 16139 1 354 . 1 1 48 48 LEU HD23 H 1 0.71 . . . . . . . 31 LEU HD21 . 16139 1 355 . 1 1 48 48 LEU HG H 1 1.15 . . . . . . . 31 LEU HG . 16139 1 356 . 1 1 48 48 LEU C C 13 177.10 . . . . . . . 31 LEU C . 16139 1 357 . 1 1 48 48 LEU CA C 13 56.72 . . . . . . . 31 LEU CA . 16139 1 358 . 1 1 48 48 LEU CB C 13 41.97 . . . . . . . 31 LEU CB . 16139 1 359 . 1 1 48 48 LEU CD1 C 13 23.29 . . . . . . . 31 LEU CD1 . 16139 1 360 . 1 1 48 48 LEU CD2 C 13 24.71 . . . . . . . 31 LEU CD2 . 16139 1 361 . 1 1 48 48 LEU N N 15 130.59 . . . . . . . 31 LEU N . 16139 1 362 . 1 1 49 49 GLU H H 1 7.92 . . . . . . . 32 GLU HN . 16139 1 363 . 1 1 49 49 GLU HA H 1 4.21 . . . . . . . 32 GLU HA . 16139 1 364 . 1 1 49 49 GLU HB2 H 1 1.50 . . . . . . . 32 GLU HB1 . 16139 1 365 . 1 1 49 49 GLU HB3 H 1 1.50 . . . . . . . 32 GLU HB2 . 16139 1 366 . 1 1 49 49 GLU HG2 H 1 0.58 . . . . . . . 32 GLU HG1 . 16139 1 367 . 1 1 49 49 GLU HG3 H 1 1.38 . . . . . . . 32 GLU HG2 . 16139 1 368 . 1 1 49 49 GLU C C 13 174.00 . . . . . . . 32 GLU C . 16139 1 369 . 1 1 49 49 GLU CA C 13 54.66 . . . . . . . 32 GLU CA . 16139 1 370 . 1 1 49 49 GLU CB C 13 29.78 . . . . . . . 32 GLU CB . 16139 1 371 . 1 1 49 49 GLU CG C 13 32.77 . . . . . . . 32 GLU CG . 16139 1 372 . 1 1 49 49 GLU N N 15 117.17 . . . . . . . 32 GLU N . 16139 1 373 . 1 1 50 50 GLN H H 1 8.32 . . . . . . . 33 GLN HN . 16139 1 374 . 1 1 50 50 GLN HA H 1 4.62 . . . . . . . 33 GLN HA . 16139 1 375 . 1 1 50 50 GLN C C 13 174.20 . . . . . . . 33 GLN C . 16139 1 376 . 1 1 50 50 GLN CA C 13 55.12 . . . . . . . 33 GLN CA . 16139 1 377 . 1 1 50 50 GLN CB C 13 24.89 . . . . . . . 33 GLN CB . 16139 1 378 . 1 1 50 50 GLN N N 15 127.61 . . . . . . . 33 GLN N . 16139 1 379 . 1 1 51 51 HIS H H 1 8.63 . . . . . . . 34 HIS HN . 16139 1 380 . 1 1 51 51 HIS CA C 13 54.84 . . . . . . . 34 HIS CA . 16139 1 381 . 1 1 51 51 HIS CB C 13 35.41 . . . . . . . 34 HIS CB . 16139 1 382 . 1 1 51 51 HIS N N 15 127.64 . . . . . . . 34 HIS N . 16139 1 383 . 1 1 52 52 PRO HA H 1 4.60 . . . . . . . 35 PRO HA . 16139 1 384 . 1 1 52 52 PRO HB2 H 1 2.31 . . . . . . . 35 PRO HB1 . 16139 1 385 . 1 1 52 52 PRO HB3 H 1 1.95 . . . . . . . 35 PRO HB2 . 16139 1 386 . 1 1 52 52 PRO HD2 H 1 3.65 . . . . . . . 35 PRO HD1 . 16139 1 387 . 1 1 52 52 PRO HD3 H 1 2.98 . . . . . . . 35 PRO HD2 . 16139 1 388 . 1 1 52 52 PRO HG2 H 1 1.95 . . . . . . . 35 PRO HG2 . 16139 1 389 . 1 1 52 52 PRO C C 13 176.85 . . . . . . . 35 PRO C . 16139 1 390 . 1 1 52 52 PRO CA C 13 65.15 . . . . . . . 35 PRO CA . 16139 1 391 . 1 1 52 52 PRO CB C 13 31.66 . . . . . . . 35 PRO CB . 16139 1 392 . 1 1 52 52 PRO CG C 13 27.07 . . . . . . . 35 PRO CG . 16139 1 393 . 1 1 53 53 ASP H H 1 10.47 . . . . . . . 36 ASP HN . 16139 1 394 . 1 1 53 53 ASP HA H 1 4.68 . . . . . . . 36 ASP HA . 16139 1 395 . 1 1 53 53 ASP HB2 H 1 2.88 . . . . . . . 36 ASP HB1 . 16139 1 396 . 1 1 53 53 ASP HB3 H 1 2.63 . . . . . . . 36 ASP HB2 . 16139 1 397 . 1 1 53 53 ASP C C 13 176.82 . . . . . . . 36 ASP C . 16139 1 398 . 1 1 53 53 ASP CA C 13 53.90 . . . . . . . 36 ASP CA . 16139 1 399 . 1 1 53 53 ASP CB C 13 40.41 . . . . . . . 36 ASP CB . 16139 1 400 . 1 1 53 53 ASP N N 15 122.62 . . . . . . . 36 ASP N . 16139 1 401 . 1 1 54 54 GLY H H 1 8.46 . . . . . . . 37 GLY HN . 16139 1 402 . 1 1 54 54 GLY HA2 H 1 4.34 . . . . . . . 37 GLY HA1 . 16139 1 403 . 1 1 54 54 GLY HA3 H 1 3.88 . . . . . . . 37 GLY HA2 . 16139 1 404 . 1 1 54 54 GLY C C 13 174.07 . . . . . . . 37 GLY C . 16139 1 405 . 1 1 54 54 GLY CA C 13 44.89 . . . . . . . 37 GLY CA . 16139 1 406 . 1 1 54 54 GLY N N 15 110.59 . . . . . . . 37 GLY N . 16139 1 407 . 1 1 55 55 ARG H H 1 8.15 . . . . . . . 38 ARG HN . 16139 1 408 . 1 1 55 55 ARG HA H 1 4.39 . . . . . . . 38 ARG HA . 16139 1 409 . 1 1 55 55 ARG HB2 H 1 1.81 . . . . . . . 38 ARG HB1 . 16139 1 410 . 1 1 55 55 ARG HB3 H 1 1.66 . . . . . . . 38 ARG HB2 . 16139 1 411 . 1 1 55 55 ARG HD2 H 1 3.02 . . . . . . . 38 ARG HD1 . 16139 1 412 . 1 1 55 55 ARG HD3 H 1 2.65 . . . . . . . 38 ARG HD2 . 16139 1 413 . 1 1 55 55 ARG HG2 H 1 1.27 . . . . . . . 38 ARG HG1 . 16139 1 414 . 1 1 55 55 ARG HG3 H 1 1.27 . . . . . . . 38 ARG HG2 . 16139 1 415 . 1 1 55 55 ARG C C 13 175.10 . . . . . . . 38 ARG C . 16139 1 416 . 1 1 55 55 ARG CA C 13 56.72 . . . . . . . 38 ARG CA . 16139 1 417 . 1 1 55 55 ARG CB C 13 31.89 . . . . . . . 38 ARG CB . 16139 1 418 . 1 1 55 55 ARG CD C 13 43.70 . . . . . . . 38 ARG CD . 16139 1 419 . 1 1 55 55 ARG CG C 13 26.79 . . . . . . . 38 ARG CG . 16139 1 420 . 1 1 55 55 ARG N N 15 120.91 . . . . . . . 38 ARG N . 16139 1 421 . 1 1 56 56 TRP H H 1 8.40 . . . . . . . 39 TRP HN . 16139 1 422 . 1 1 56 56 TRP HA H 1 2.91 . . . . . . . 39 TRP HA . 16139 1 423 . 1 1 56 56 TRP HB2 H 1 1.94 . . . . . . . 39 TRP HB1 . 16139 1 424 . 1 1 56 56 TRP HB3 H 1 2.78 . . . . . . . 39 TRP HB2 . 16139 1 425 . 1 1 56 56 TRP HD1 H 1 7.14 . . . . . . . 39 TRP HD1 . 16139 1 426 . 1 1 56 56 TRP HE1 H 1 10.06 . . . . . . . 39 TRP HE1 . 16139 1 427 . 1 1 56 56 TRP HE3 H 1 7.45 . . . . . . . 39 TRP HE3 . 16139 1 428 . 1 1 56 56 TRP HH2 H 1 7.16 . . . . . . . 39 TRP HH2 . 16139 1 429 . 1 1 56 56 TRP HZ2 H 1 7.46 . . . . . . . 39 TRP HZ2 . 16139 1 430 . 1 1 56 56 TRP HZ3 H 1 7.14 . . . . . . . 39 TRP HZ3 . 16139 1 431 . 1 1 56 56 TRP C C 13 173.57 . . . . . . . 39 TRP C . 16139 1 432 . 1 1 56 56 TRP CA C 13 53.90 . . . . . . . 39 TRP CA . 16139 1 433 . 1 1 56 56 TRP CB C 13 31.83 . . . . . . . 39 TRP CB . 16139 1 434 . 1 1 56 56 TRP N N 15 122.92 . . . . . . . 39 TRP N . 16139 1 435 . 1 1 56 56 TRP NE1 N 15 128.51 . . . . . . . 39 TRP NE1 . 16139 1 436 . 1 1 57 57 LYS H H 1 9.11 . . . . . . . 40 LYS HN . 16139 1 437 . 1 1 57 57 LYS HA H 1 4.82 . . . . . . . 40 LYS HA . 16139 1 438 . 1 1 57 57 LYS HB2 H 1 1.43 . . . . . . . 40 LYS HB1 . 16139 1 439 . 1 1 57 57 LYS HB3 H 1 1.61 . . . . . . . 40 LYS HB2 . 16139 1 440 . 1 1 57 57 LYS HD2 H 1 1.39 . . . . . . . 40 LYS HD1 . 16139 1 441 . 1 1 57 57 LYS HD3 H 1 1.39 . . . . . . . 40 LYS HD2 . 16139 1 442 . 1 1 57 57 LYS HE2 H 1 2.51 . . . . . . . 40 LYS HE1 . 16139 1 443 . 1 1 57 57 LYS HE3 H 1 2.62 . . . . . . . 40 LYS HE2 . 16139 1 444 . 1 1 57 57 LYS HG2 H 1 0.30 . . . . . . . 40 LYS HG1 . 16139 1 445 . 1 1 57 57 LYS HG3 H 1 1.01 . . . . . . . 40 LYS HG2 . 16139 1 446 . 1 1 57 57 LYS C C 13 176.28 . . . . . . . 40 LYS C . 16139 1 447 . 1 1 57 57 LYS CA C 13 54.84 . . . . . . . 40 LYS CA . 16139 1 448 . 1 1 57 57 LYS CB C 13 36.57 . . . . . . . 40 LYS CB . 16139 1 449 . 1 1 57 57 LYS CD C 13 29.34 . . . . . . . 40 LYS CD . 16139 1 450 . 1 1 57 57 LYS CE C 13 41.76 . . . . . . . 40 LYS CE . 16139 1 451 . 1 1 57 57 LYS CG C 13 25.77 . . . . . . . 40 LYS CG . 16139 1 452 . 1 1 57 57 LYS N N 15 124.04 . . . . . . . 40 LYS N . 16139 1 453 . 1 1 58 58 GLY H H 1 9.79 . . . . . . . 41 GLY HN . 16139 1 454 . 1 1 58 58 GLY HA2 H 1 5.47 . . . . . . . 41 GLY HA1 . 16139 1 455 . 1 1 58 58 GLY HA3 H 1 3.87 . . . . . . . 41 GLY HA2 . 16139 1 456 . 1 1 58 58 GLY C C 13 168.87 . . . . . . . 41 GLY C . 16139 1 457 . 1 1 58 58 GLY CA C 13 45.47 . . . . . . . 41 GLY CA . 16139 1 458 . 1 1 58 58 GLY N N 15 116.48 . . . . . . . 41 GLY N . 16139 1 459 . 1 1 59 59 HIS H H 1 8.94 . . . . . . . 42 HIS HN . 16139 1 460 . 1 1 59 59 HIS HA H 1 5.83 . . . . . . . 42 HIS HA . 16139 1 461 . 1 1 59 59 HIS HB2 H 1 3.01 . . . . . . . 42 HIS HB1 . 16139 1 462 . 1 1 59 59 HIS HB3 H 1 3.01 . . . . . . . 42 HIS HB2 . 16139 1 463 . 1 1 59 59 HIS HD2 H 1 6.74 . . . . . . . 42 HIS HD2 . 16139 1 464 . 1 1 59 59 HIS C C 13 173.97 . . . . . . . 42 HIS C . 16139 1 465 . 1 1 59 59 HIS CA C 13 53.90 . . . . . . . 42 HIS CA . 16139 1 466 . 1 1 59 59 HIS CB C 13 36.34 . . . . . . . 42 HIS CB . 16139 1 467 . 1 1 59 59 HIS CD2 C 13 115.29 . . . . . . . 42 HIS CD2 . 16139 1 468 . 1 1 59 59 HIS N N 15 121.44 . . . . . . . 42 HIS N . 16139 1 469 . 1 1 60 60 ILE H H 1 9.22 . . . . . . . 43 ILE HN . 16139 1 470 . 1 1 60 60 ILE HA H 1 4.44 . . . . . . . 43 ILE HA . 16139 1 471 . 1 1 60 60 ILE HB H 1 1.52 . . . . . . . 43 ILE HB . 16139 1 472 . 1 1 60 60 ILE HD11 H 1 0.81 . . . . . . . 43 ILE HD11 . 16139 1 473 . 1 1 60 60 ILE HD12 H 1 0.81 . . . . . . . 43 ILE HD11 . 16139 1 474 . 1 1 60 60 ILE HD13 H 1 0.81 . . . . . . . 43 ILE HD11 . 16139 1 475 . 1 1 60 60 ILE HG12 H 1 1.51 . . . . . . . 43 ILE HG11 . 16139 1 476 . 1 1 60 60 ILE HG13 H 1 0.98 . . . . . . . 43 ILE HG12 . 16139 1 477 . 1 1 60 60 ILE HG21 H 1 0.86 . . . . . . . 43 ILE HG21 . 16139 1 478 . 1 1 60 60 ILE HG22 H 1 0.86 . . . . . . . 43 ILE HG21 . 16139 1 479 . 1 1 60 60 ILE HG23 H 1 0.86 . . . . . . . 43 ILE HG21 . 16139 1 480 . 1 1 60 60 ILE C C 13 173.95 . . . . . . . 43 ILE C . 16139 1 481 . 1 1 60 60 ILE CA C 13 60.61 . . . . . . . 43 ILE CA . 16139 1 482 . 1 1 60 60 ILE CB C 13 41.03 . . . . . . . 43 ILE CB . 16139 1 483 . 1 1 60 60 ILE CD1 C 13 13.99 . . . . . . . 43 ILE CD1 . 16139 1 484 . 1 1 60 60 ILE CG1 C 13 28.68 . . . . . . . 43 ILE CG1 . 16139 1 485 . 1 1 60 60 ILE CG2 C 13 17.17 . . . . . . . 43 ILE CG2 . 16139 1 486 . 1 1 60 60 ILE N N 15 128.53 . . . . . . . 43 ILE N . 16139 1 487 . 1 1 61 61 HIS H H 1 8.74 . . . . . . . 44 HIS HN . 16139 1 488 . 1 1 61 61 HIS HA H 1 3.36 . . . . . . . 44 HIS HA . 16139 1 489 . 1 1 61 61 HIS HB2 H 1 2.94 . . . . . . . 44 HIS HB1 . 16139 1 490 . 1 1 61 61 HIS HB3 H 1 3.23 . . . . . . . 44 HIS HB2 . 16139 1 491 . 1 1 61 61 HIS HE1 H 1 7.41 . . . . . . . 44 HIS HE1 . 16139 1 492 . 1 1 61 61 HIS C C 13 174.13 . . . . . . . 44 HIS C . 16139 1 493 . 1 1 61 61 HIS CA C 13 55.78 . . . . . . . 44 HIS CA . 16139 1 494 . 1 1 61 61 HIS CB C 13 30.72 . . . . . . . 44 HIS CB . 16139 1 495 . 1 1 61 61 HIS N N 15 129.37 . . . . . . . 44 HIS N . 16139 1 496 . 1 1 62 62 GLU H H 1 8.55 . . . . . . . 45 GLU HN . 16139 1 497 . 1 1 62 62 GLU CA C 13 52.03 . . . . . . . 45 GLU CA . 16139 1 498 . 1 1 62 62 GLU N N 15 124.08 . . . . . . . 45 GLU N . 16139 1 499 . 1 1 66 66 GLY HA2 H 1 4.20 . . . . . . . 49 GLY HA1 . 16139 1 500 . 1 1 66 66 GLY HA3 H 1 4.05 . . . . . . . 49 GLY HA2 . 16139 1 501 . 1 1 66 66 GLY C C 13 173.68 . . . . . . . 49 GLY C . 16139 1 502 . 1 1 66 66 GLY CA C 13 46.00 . . . . . . . 49 GLY CA . 16139 1 503 . 1 1 67 67 THR H H 1 7.71 . . . . . . . 50 THR HN . 16139 1 504 . 1 1 67 67 THR HA H 1 4.63 . . . . . . . 50 THR HA . 16139 1 505 . 1 1 67 67 THR HB H 1 4.19 . . . . . . . 50 THR HB . 16139 1 506 . 1 1 67 67 THR HG21 H 1 1.13 . . . . . . . 50 THR HG21 . 16139 1 507 . 1 1 67 67 THR HG22 H 1 1.13 . . . . . . . 50 THR HG21 . 16139 1 508 . 1 1 67 67 THR HG23 H 1 1.13 . . . . . . . 50 THR HG21 . 16139 1 509 . 1 1 67 67 THR C C 13 172.86 . . . . . . . 50 THR C . 16139 1 510 . 1 1 67 67 THR CA C 13 60.71 . . . . . . . 50 THR CA . 16139 1 511 . 1 1 67 67 THR CB C 13 71.03 . . . . . . . 50 THR CB . 16139 1 512 . 1 1 67 67 THR CG2 C 13 21.30 . . . . . . . 50 THR CG2 . 16139 1 513 . 1 1 67 67 THR N N 15 113.63 . . . . . . . 50 THR N . 16139 1 514 . 1 1 68 68 ASP H H 1 8.62 . . . . . . . 51 ASP HN . 16139 1 515 . 1 1 68 68 ASP CA C 13 53.90 . . . . . . . 51 ASP CA . 16139 1 516 . 1 1 68 68 ASP CB C 13 42.91 . . . . . . . 51 ASP CB . 16139 1 517 . 1 1 68 68 ASP N N 15 123.90 . . . . . . . 51 ASP N . 16139 1 518 . 1 1 69 69 ARG HA H 1 4.81 . . . . . . . 52 ARG HA . 16139 1 519 . 1 1 69 69 ARG HB2 H 1 1.78 . . . . . . . 52 ARG HB2 . 16139 1 520 . 1 1 69 69 ARG HD2 H 1 3.27 . . . . . . . 52 ARG HD1 . 16139 1 521 . 1 1 69 69 ARG HG2 H 1 1.64 . . . . . . . 52 ARG HG2 . 16139 1 522 . 1 1 69 69 ARG C C 13 173.62 . . . . . . . 52 ARG C . 16139 1 523 . 1 1 69 69 ARG CA C 13 55.78 . . . . . . . 52 ARG CA . 16139 1 524 . 1 1 69 69 ARG CB C 13 32.59 . . . . . . . 52 ARG CB . 16139 1 525 . 1 1 69 69 ARG CD C 13 43.63 . . . . . . . 52 ARG CD . 16139 1 526 . 1 1 69 69 ARG CG C 13 27.58 . . . . . . . 52 ARG CG . 16139 1 527 . 1 1 70 70 ILE H H 1 8.45 . . . . . . . 53 ILE HN . 16139 1 528 . 1 1 70 70 ILE HA H 1 5.51 . . . . . . . 53 ILE HA . 16139 1 529 . 1 1 70 70 ILE HB H 1 1.58 . . . . . . . 53 ILE HB . 16139 1 530 . 1 1 70 70 ILE HD11 H 1 0.70 . . . . . . . 53 ILE HD11 . 16139 1 531 . 1 1 70 70 ILE HD12 H 1 0.70 . . . . . . . 53 ILE HD11 . 16139 1 532 . 1 1 70 70 ILE HD13 H 1 0.70 . . . . . . . 53 ILE HD11 . 16139 1 533 . 1 1 70 70 ILE HG12 H 1 1.45 . . . . . . . 53 ILE HG11 . 16139 1 534 . 1 1 70 70 ILE HG13 H 1 1.47 . . . . . . . 53 ILE HG12 . 16139 1 535 . 1 1 70 70 ILE HG21 H 1 0.78 . . . . . . . 53 ILE HG21 . 16139 1 536 . 1 1 70 70 ILE HG22 H 1 0.78 . . . . . . . 53 ILE HG21 . 16139 1 537 . 1 1 70 70 ILE HG23 H 1 0.78 . . . . . . . 53 ILE HG21 . 16139 1 538 . 1 1 70 70 ILE C C 13 176.00 . . . . . . . 53 ILE C . 16139 1 539 . 1 1 70 70 ILE CA C 13 59.53 . . . . . . . 53 ILE CA . 16139 1 540 . 1 1 70 70 ILE CB C 13 41.97 . . . . . . . 53 ILE CB . 16139 1 541 . 1 1 70 70 ILE CD1 C 13 13.88 . . . . . . . 53 ILE CD1 . 16139 1 542 . 1 1 70 70 ILE CG1 C 13 28.38 . . . . . . . 53 ILE CG1 . 16139 1 543 . 1 1 70 70 ILE CG2 C 13 17.61 . . . . . . . 53 ILE CG2 . 16139 1 544 . 1 1 70 70 ILE N N 15 123.49 . . . . . . . 53 ILE N . 16139 1 545 . 1 1 71 71 GLY H H 1 8.67 . . . . . . . 54 GLY HN . 16139 1 546 . 1 1 71 71 GLY HA2 H 1 4.19 . . . . . . . 54 GLY HA2 . 16139 1 547 . 1 1 71 71 GLY C C 13 171.19 . . . . . . . 54 GLY C . 16139 1 548 . 1 1 71 71 GLY CA C 13 45.47 . . . . . . . 54 GLY CA . 16139 1 549 . 1 1 71 71 GLY N N 15 113.89 . . . . . . . 54 GLY N . 16139 1 550 . 1 1 72 72 TYR H H 1 9.21 . . . . . . . 55 TYR HN . 16139 1 551 . 1 1 72 72 TYR HA H 1 6.09 . . . . . . . 55 TYR HA . 16139 1 552 . 1 1 72 72 TYR HB2 H 1 2.77 . . . . . . . 55 TYR HB1 . 16139 1 553 . 1 1 72 72 TYR HB3 H 1 2.83 . . . . . . . 55 TYR HB2 . 16139 1 554 . 1 1 72 72 TYR HD1 H 1 7.02 . . . . . . . 55 TYR HD1 . 16139 1 555 . 1 1 72 72 TYR HD2 H 1 7.02 . . . . . . . 55 TYR HD2 . 16139 1 556 . 1 1 72 72 TYR HE1 H 1 6.80 . . . . . . . 55 TYR HE1 . 16139 1 557 . 1 1 72 72 TYR HE2 H 1 6.80 . . . . . . . 55 TYR HE2 . 16139 1 558 . 1 1 72 72 TYR C C 13 176.85 . . . . . . . 55 TYR C . 16139 1 559 . 1 1 72 72 TYR CA C 13 57.65 . . . . . . . 55 TYR CA . 16139 1 560 . 1 1 72 72 TYR CB C 13 41.03 . . . . . . . 55 TYR CB . 16139 1 561 . 1 1 72 72 TYR CD1 C 13 128.83 . . . . . . . 55 TYR CD1 . 16139 1 562 . 1 1 72 72 TYR CD2 C 13 128.83 . . . . . . . 55 TYR CD2 . 16139 1 563 . 1 1 72 72 TYR CE1 C 13 120.44 . . . . . . . 55 TYR CE1 . 16139 1 564 . 1 1 72 72 TYR CE2 C 13 120.44 . . . . . . . 55 TYR CE2 . 16139 1 565 . 1 1 72 72 TYR N N 15 121.70 . . . . . . . 55 TYR N . 16139 1 566 . 1 1 73 73 PHE H H 1 9.49 . . . . . . . 56 PHE HN . 16139 1 567 . 1 1 73 73 PHE HB2 H 1 2.66 . . . . . . . 56 PHE HB1 . 16139 1 568 . 1 1 73 73 PHE HB3 H 1 3.00 . . . . . . . 56 PHE HB2 . 16139 1 569 . 1 1 73 73 PHE HD1 H 1 7.02 . . . . . . . 56 PHE HD1 . 16139 1 570 . 1 1 73 73 PHE HD2 H 1 7.00 . . . . . . . 56 PHE HD2 . 16139 1 571 . 1 1 73 73 PHE HE1 H 1 6.95 . . . . . . . 56 PHE HE1 . 16139 1 572 . 1 1 73 73 PHE HE2 H 1 6.95 . . . . . . . 56 PHE HE2 . 16139 1 573 . 1 1 73 73 PHE CA C 13 54.84 . . . . . . . 56 PHE CA . 16139 1 574 . 1 1 73 73 PHE CB C 13 39.51 . . . . . . . 56 PHE CB . 16139 1 575 . 1 1 73 73 PHE CD1 C 13 129.74 . . . . . . . 56 PHE CD1 . 16139 1 576 . 1 1 73 73 PHE CD2 C 13 130.67 . . . . . . . 56 PHE CD2 . 16139 1 577 . 1 1 73 73 PHE CE2 C 13 128.81 . . . . . . . 56 PHE CE2 . 16139 1 578 . 1 1 73 73 PHE N N 15 121.26 . . . . . . . 56 PHE N . 16139 1 579 . 1 1 75 75 PRO HA H 1 3.60 . . . . . . . 58 PRO HA . 16139 1 580 . 1 1 75 75 PRO HB2 H 1 1.37 . . . . . . . 58 PRO HB1 . 16139 1 581 . 1 1 75 75 PRO HB3 H 1 1.37 . . . . . . . 58 PRO HB2 . 16139 1 582 . 1 1 75 75 PRO HD2 H 1 3.20 . . . . . . . 58 PRO HD1 . 16139 1 583 . 1 1 75 75 PRO HD3 H 1 3.53 . . . . . . . 58 PRO HD2 . 16139 1 584 . 1 1 75 75 PRO HG2 H 1 0.76 . . . . . . . 58 PRO HG1 . 16139 1 585 . 1 1 75 75 PRO HG3 H 1 1.37 . . . . . . . 58 PRO HG2 . 16139 1 586 . 1 1 75 75 PRO C C 13 177.43 . . . . . . . 58 PRO C . 16139 1 587 . 1 1 75 75 PRO CA C 13 63.61 . . . . . . . 58 PRO CA . 16139 1 588 . 1 1 75 75 PRO CB C 13 29.97 . . . . . . . 58 PRO CB . 16139 1 589 . 1 1 75 75 PRO CD C 13 50.61 . . . . . . . 58 PRO CD . 16139 1 590 . 1 1 75 75 PRO CG C 13 26.72 . . . . . . . 58 PRO CG . 16139 1 591 . 1 1 76 76 GLY H H 1 8.29 . . . . . . . 59 GLY HN . 16139 1 592 . 1 1 76 76 GLY HA2 H 1 4.06 . . . . . . . 59 GLY HA1 . 16139 1 593 . 1 1 76 76 GLY HA3 H 1 3.83 . . . . . . . 59 GLY HA2 . 16139 1 594 . 1 1 76 76 GLY C C 13 174.90 . . . . . . . 59 GLY C . 16139 1 595 . 1 1 76 76 GLY CA C 13 45.97 . . . . . . . 59 GLY CA . 16139 1 596 . 1 1 77 77 ILE H H 1 7.08 . . . . . . . 60 ILE HN . 16139 1 597 . 1 1 77 77 ILE HA H 1 4.67 . . . . . . . 60 ILE HA . 16139 1 598 . 1 1 77 77 ILE HB H 1 2.27 . . . . . . . 60 ILE HB . 16139 1 599 . 1 1 77 77 ILE HD11 H 1 0.77 . . . . . . . 60 ILE HD11 . 16139 1 600 . 1 1 77 77 ILE HD12 H 1 0.77 . . . . . . . 60 ILE HD11 . 16139 1 601 . 1 1 77 77 ILE HD13 H 1 0.77 . . . . . . . 60 ILE HD11 . 16139 1 602 . 1 1 77 77 ILE HG12 H 1 1.60 . . . . . . . 60 ILE HG11 . 16139 1 603 . 1 1 77 77 ILE HG13 H 1 1.60 . . . . . . . 60 ILE HG12 . 16139 1 604 . 1 1 77 77 ILE HG21 H 1 0.80 . . . . . . . 60 ILE HG21 . 16139 1 605 . 1 1 77 77 ILE HG22 H 1 0.80 . . . . . . . 60 ILE HG21 . 16139 1 606 . 1 1 77 77 ILE HG23 H 1 0.80 . . . . . . . 60 ILE HG21 . 16139 1 607 . 1 1 77 77 ILE C C 13 174.27 . . . . . . . 60 ILE C . 16139 1 608 . 1 1 77 77 ILE CA C 13 61.16 . . . . . . . 60 ILE CA . 16139 1 609 . 1 1 77 77 ILE CB C 13 38.22 . . . . . . . 60 ILE CB . 16139 1 610 . 1 1 77 77 ILE CD1 C 13 15.46 . . . . . . . 60 ILE CD1 . 16139 1 611 . 1 1 77 77 ILE CG1 C 13 25.74 . . . . . . . 60 ILE CG1 . 16139 1 612 . 1 1 77 77 ILE CG2 C 13 17.29 . . . . . . . 60 ILE CG2 . 16139 1 613 . 1 1 77 77 ILE N N 15 111.70 . . . . . . . 60 ILE N . 16139 1 614 . 1 1 78 78 VAL H H 1 7.47 . . . . . . . 61 VAL HN . 16139 1 615 . 1 1 78 78 VAL HA H 1 5.53 . . . . . . . 61 VAL HA . 16139 1 616 . 1 1 78 78 VAL HB H 1 1.99 . . . . . . . 61 VAL HB . 16139 1 617 . 1 1 78 78 VAL HG11 H 1 0.67 . . . . . . . 61 VAL HG11 . 16139 1 618 . 1 1 78 78 VAL HG12 H 1 0.67 . . . . . . . 61 VAL HG11 . 16139 1 619 . 1 1 78 78 VAL HG13 H 1 0.67 . . . . . . . 61 VAL HG11 . 16139 1 620 . 1 1 78 78 VAL HG21 H 1 0.96 . . . . . . . 61 VAL HG21 . 16139 1 621 . 1 1 78 78 VAL HG22 H 1 0.96 . . . . . . . 61 VAL HG21 . 16139 1 622 . 1 1 78 78 VAL HG23 H 1 0.96 . . . . . . . 61 VAL HG21 . 16139 1 623 . 1 1 78 78 VAL C C 13 173.88 . . . . . . . 61 VAL C . 16139 1 624 . 1 1 78 78 VAL CA C 13 58.59 . . . . . . . 61 VAL CA . 16139 1 625 . 1 1 78 78 VAL CB C 13 35.60 . . . . . . . 61 VAL CB . 16139 1 626 . 1 1 78 78 VAL CG1 C 13 22.10 . . . . . . . 61 VAL CG1 . 16139 1 627 . 1 1 78 78 VAL CG2 C 13 18.03 . . . . . . . 61 VAL CG2 . 16139 1 628 . 1 1 78 78 VAL N N 15 113.66 . . . . . . . 61 VAL N . 16139 1 629 . 1 1 79 79 GLU H H 1 8.69 . . . . . . . 62 GLU HN . 16139 1 630 . 1 1 79 79 GLU HA H 1 5.00 . . . . . . . 62 GLU HA . 16139 1 631 . 1 1 79 79 GLU HG2 H 1 2.18 . . . . . . . 62 GLU HG1 . 16139 1 632 . 1 1 79 79 GLU HG3 H 1 2.29 . . . . . . . 62 GLU HG2 . 16139 1 633 . 1 1 79 79 GLU C C 13 174.96 . . . . . . . 62 GLU C . 16139 1 634 . 1 1 79 79 GLU CA C 13 53.55 . . . . . . . 62 GLU CA . 16139 1 635 . 1 1 79 79 GLU CB C 13 33.53 . . . . . . . 62 GLU CB . 16139 1 636 . 1 1 79 79 GLU CG C 13 35.34 . . . . . . . 62 GLU CG . 16139 1 637 . 1 1 79 79 GLU N N 15 119.81 . . . . . . . 62 GLU N . 16139 1 638 . 1 1 80 80 VAL H H 1 8.98 . . . . . . . 63 VAL HN . 16139 1 639 . 1 1 80 80 VAL HA H 1 4.25 . . . . . . . 63 VAL HA . 16139 1 640 . 1 1 80 80 VAL HB H 1 2.10 . . . . . . . 63 VAL HB . 16139 1 641 . 1 1 80 80 VAL HG11 H 1 0.89 . . . . . . . 63 VAL HG11 . 16139 1 642 . 1 1 80 80 VAL HG12 H 1 0.89 . . . . . . . 63 VAL HG11 . 16139 1 643 . 1 1 80 80 VAL HG13 H 1 0.89 . . . . . . . 63 VAL HG11 . 16139 1 644 . 1 1 80 80 VAL HG21 H 1 1.01 . . . . . . . 63 VAL HG21 . 16139 1 645 . 1 1 80 80 VAL HG22 H 1 1.01 . . . . . . . 63 VAL HG21 . 16139 1 646 . 1 1 80 80 VAL HG23 H 1 1.01 . . . . . . . 63 VAL HG21 . 16139 1 647 . 1 1 80 80 VAL C C 13 174.91 . . . . . . . 63 VAL C . 16139 1 648 . 1 1 80 80 VAL CA C 13 62.32 . . . . . . . 63 VAL CA . 16139 1 649 . 1 1 80 80 VAL CB C 13 32.66 . . . . . . . 63 VAL CB . 16139 1 650 . 1 1 80 80 VAL CG1 C 13 20.45 . . . . . . . 63 VAL CG1 . 16139 1 651 . 1 1 80 80 VAL CG2 C 13 21.22 . . . . . . . 63 VAL CG2 . 16139 1 652 . 1 1 80 80 VAL N N 15 125.90 . . . . . . . 63 VAL N . 16139 1 653 . 1 1 81 81 VAL H H 1 8.08 . . . . . . . 64 VAL HN . 16139 1 654 . 1 1 81 81 VAL HA H 1 4.45 . . . . . . . 64 VAL HA . 16139 1 655 . 1 1 81 81 VAL HB H 1 2.98 . . . . . . . 64 VAL HB . 16139 1 656 . 1 1 81 81 VAL HG11 H 1 1.66 . . . . . . . 64 VAL HG11 . 16139 1 657 . 1 1 81 81 VAL HG12 H 1 1.66 . . . . . . . 64 VAL HG11 . 16139 1 658 . 1 1 81 81 VAL HG13 H 1 1.66 . . . . . . . 64 VAL HG11 . 16139 1 659 . 1 1 81 81 VAL HG21 H 1 1.42 . . . . . . . 64 VAL HG21 . 16139 1 660 . 1 1 81 81 VAL HG22 H 1 1.42 . . . . . . . 64 VAL HG21 . 16139 1 661 . 1 1 81 81 VAL HG23 H 1 1.42 . . . . . . . 64 VAL HG21 . 16139 1 662 . 1 1 81 81 VAL C C 13 176.23 . . . . . . . 64 VAL C . 16139 1 663 . 1 1 81 81 VAL CA C 13 56.72 . . . . . . . 64 VAL CA . 16139 1 664 . 1 1 81 81 VAL CB C 13 32.59 . . . . . . . 64 VAL CB . 16139 1 665 . 1 1 81 81 VAL CG2 C 13 24.71 . . . . . . . 64 VAL CG2 . 16139 1 666 . 1 1 81 81 VAL N N 15 131.56 . . . . . . . 64 VAL N . 16139 1 667 . 1 1 82 82 SER H H 1 8.17 . . . . . . . 65 SER HN . 16139 1 668 . 1 1 82 82 SER CA C 13 62.34 . . . . . . . 65 SER CA . 16139 1 669 . 1 1 82 82 SER N N 15 123.67 . . . . . . . 65 SER N . 16139 1 670 . 1 1 83 83 LYS HA H 1 4.47 . . . . . . . 66 LYS HA . 16139 1 671 . 1 1 83 83 LYS HB2 H 1 1.84 . . . . . . . 66 LYS HB2 . 16139 1 672 . 1 1 83 83 LYS HD2 H 1 1.68 . . . . . . . 66 LYS HD2 . 16139 1 673 . 1 1 83 83 LYS HE2 H 1 2.97 . . . . . . . 66 LYS HE2 . 16139 1 674 . 1 1 83 83 LYS HG2 H 1 1.42 . . . . . . . 66 LYS HG2 . 16139 1 675 . 1 1 83 83 LYS C C 13 175.15 . . . . . . . 66 LYS C . 16139 1 676 . 1 1 83 83 LYS CA C 13 56.72 . . . . . . . 66 LYS CA . 16139 1 677 . 1 1 83 83 LYS CB C 13 33.53 . . . . . . . 66 LYS CB . 16139 1 678 . 1 1 83 83 LYS CD C 13 28.87 . . . . . . . 66 LYS CD . 16139 1 679 . 1 1 83 83 LYS CE C 13 42.08 . . . . . . . 66 LYS CE . 16139 1 680 . 1 1 83 83 LYS CG C 13 24.62 . . . . . . . 66 LYS CG . 16139 1 681 . 1 1 84 84 ARG H H 1 8.16 . . . . . . . 67 ARG HN . 16139 1 682 . 1 1 84 84 ARG CA C 13 56.72 . . . . . . . 67 ARG CA . 16139 1 683 . 1 1 84 84 ARG CB C 13 31.66 . . . . . . . 67 ARG CB . 16139 1 684 . 1 1 84 84 ARG N N 15 130.07 . . . . . . . 67 ARG N . 16139 1 stop_ save_