data_36244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36244 _Entry.Title ; Solution structure of the Rho GTPase binding domain (RBD) of ELMO1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-27 _Entry.Accession_date 2019-06-03 _Entry.Last_release_date 2019-06-03 _Entry.Original_release_date 2019-06-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36244 stop_ 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.ORCID _Entry_author.Entry_ID 1 K. Tsuda K. . . . 36244 2 M. Kukimoto-Niino M. . . . 36244 3 M. Shirouzu M. . . . 36244 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ELMO . 36244 GTPase . 36244 'Protein binding' . 36244 RBD . 36244 Rho . 36244 'SIGNALING PROTEIN' . 36244 'UBIQUITIN FOLD' . 36244 'binding domain' . 36244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 36244 '15N chemical shifts' 116 36244 '1H chemical shifts' 750 36244 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 . . 2023-02-23 . original BMRB . 36244 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6JPP 'BMRB Entry Tracking System' 36244 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36244 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of the Rho GTPase binding domain (RBD) of ELMO1 ; _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 0353 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Tsuda K. . . . 36244 1 2 M. Kukimoto-Niino M. . . . 36244 1 3 K. Ihara K. . . . 36244 1 4 C. Mishima-Tsumagari C. . . . 36244 1 5 Y. Tomabechi Y. . . . 36244 1 6 M. Yonemochi M. . . . 36244 1 7 M. Inoue M. . . . 36244 1 8 H. Hanada H. . . . 36244 1 9 M. Shirouzu M. . . . 36244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36244 _Assembly.ID 1 _Assembly.Name 'Engulfment and cell motility protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity_1 1 $entity_1 A A yes . . . . . . 36244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Engulfment and cell motility protein 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMPPPADIVKVAIEWPGAYP KLMEIDQKKPLSAIIKEVCD GWSLANHEYFALQHADSSNF YITEKNRNEIKNGTILRLTT SPAQNAQQLHERIQSSSMDA KLEALKDLASLSRD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12765.462 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Protein ced-12 homolog' common 36244 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 . 36244 1 2 1 MET . 36244 1 3 2 PRO . 36244 1 4 3 PRO . 36244 1 5 4 PRO . 36244 1 6 5 ALA . 36244 1 7 6 ASP . 36244 1 8 7 ILE . 36244 1 9 8 VAL . 36244 1 10 9 LYS . 36244 1 11 10 VAL . 36244 1 12 11 ALA . 36244 1 13 12 ILE . 36244 1 14 13 GLU . 36244 1 15 14 TRP . 36244 1 16 15 PRO . 36244 1 17 16 GLY . 36244 1 18 17 ALA . 36244 1 19 18 TYR . 36244 1 20 19 PRO . 36244 1 21 20 LYS . 36244 1 22 21 LEU . 36244 1 23 22 MET . 36244 1 24 23 GLU . 36244 1 25 24 ILE . 36244 1 26 25 ASP . 36244 1 27 26 GLN . 36244 1 28 27 LYS . 36244 1 29 28 LYS . 36244 1 30 29 PRO . 36244 1 31 30 LEU . 36244 1 32 31 SER . 36244 1 33 32 ALA . 36244 1 34 33 ILE . 36244 1 35 34 ILE . 36244 1 36 35 LYS . 36244 1 37 36 GLU . 36244 1 38 37 VAL . 36244 1 39 38 CYS . 36244 1 40 39 ASP . 36244 1 41 40 GLY . 36244 1 42 41 TRP . 36244 1 43 42 SER . 36244 1 44 43 LEU . 36244 1 45 44 ALA . 36244 1 46 45 ASN . 36244 1 47 46 HIS . 36244 1 48 47 GLU . 36244 1 49 48 TYR . 36244 1 50 49 PHE . 36244 1 51 50 ALA . 36244 1 52 51 LEU . 36244 1 53 52 GLN . 36244 1 54 53 HIS . 36244 1 55 54 ALA . 36244 1 56 55 ASP . 36244 1 57 56 SER . 36244 1 58 57 SER . 36244 1 59 58 ASN . 36244 1 60 59 PHE . 36244 1 61 60 TYR . 36244 1 62 61 ILE . 36244 1 63 62 THR . 36244 1 64 63 GLU . 36244 1 65 64 LYS . 36244 1 66 65 ASN . 36244 1 67 66 ARG . 36244 1 68 67 ASN . 36244 1 69 68 GLU . 36244 1 70 69 ILE . 36244 1 71 70 LYS . 36244 1 72 71 ASN . 36244 1 73 72 GLY . 36244 1 74 73 THR . 36244 1 75 74 ILE . 36244 1 76 75 LEU . 36244 1 77 76 ARG . 36244 1 78 77 LEU . 36244 1 79 78 THR . 36244 1 80 79 THR . 36244 1 81 80 SER . 36244 1 82 81 PRO . 36244 1 83 82 ALA . 36244 1 84 83 GLN . 36244 1 85 84 ASN . 36244 1 86 85 ALA . 36244 1 87 86 GLN . 36244 1 88 87 GLN . 36244 1 89 88 LEU . 36244 1 90 89 HIS . 36244 1 91 90 GLU . 36244 1 92 91 ARG . 36244 1 93 92 ILE . 36244 1 94 93 GLN . 36244 1 95 94 SER . 36244 1 96 95 SER . 36244 1 97 96 SER . 36244 1 98 97 MET . 36244 1 99 98 ASP . 36244 1 100 99 ALA . 36244 1 101 100 LYS . 36244 1 102 101 LEU . 36244 1 103 102 GLU . 36244 1 104 103 ALA . 36244 1 105 104 LEU . 36244 1 106 105 LYS . 36244 1 107 106 ASP . 36244 1 108 107 LEU . 36244 1 109 108 ALA . 36244 1 110 109 SER . 36244 1 111 110 LEU . 36244 1 112 111 SER . 36244 1 113 112 ARG . 36244 1 114 113 ASP . 36244 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 36244 1 . MET 2 2 36244 1 . PRO 3 3 36244 1 . PRO 4 4 36244 1 . PRO 5 5 36244 1 . ALA 6 6 36244 1 . ASP 7 7 36244 1 . ILE 8 8 36244 1 . VAL 9 9 36244 1 . LYS 10 10 36244 1 . VAL 11 11 36244 1 . ALA 12 12 36244 1 . ILE 13 13 36244 1 . GLU 14 14 36244 1 . TRP 15 15 36244 1 . PRO 16 16 36244 1 . GLY 17 17 36244 1 . ALA 18 18 36244 1 . TYR 19 19 36244 1 . PRO 20 20 36244 1 . LYS 21 21 36244 1 . LEU 22 22 36244 1 . MET 23 23 36244 1 . GLU 24 24 36244 1 . ILE 25 25 36244 1 . ASP 26 26 36244 1 . GLN 27 27 36244 1 . LYS 28 28 36244 1 . LYS 29 29 36244 1 . PRO 30 30 36244 1 . LEU 31 31 36244 1 . SER 32 32 36244 1 . ALA 33 33 36244 1 . ILE 34 34 36244 1 . ILE 35 35 36244 1 . LYS 36 36 36244 1 . GLU 37 37 36244 1 . VAL 38 38 36244 1 . CYS 39 39 36244 1 . ASP 40 40 36244 1 . GLY 41 41 36244 1 . TRP 42 42 36244 1 . SER 43 43 36244 1 . LEU 44 44 36244 1 . ALA 45 45 36244 1 . ASN 46 46 36244 1 . HIS 47 47 36244 1 . GLU 48 48 36244 1 . TYR 49 49 36244 1 . PHE 50 50 36244 1 . ALA 51 51 36244 1 . LEU 52 52 36244 1 . GLN 53 53 36244 1 . HIS 54 54 36244 1 . ALA 55 55 36244 1 . ASP 56 56 36244 1 . SER 57 57 36244 1 . SER 58 58 36244 1 . ASN 59 59 36244 1 . PHE 60 60 36244 1 . TYR 61 61 36244 1 . ILE 62 62 36244 1 . THR 63 63 36244 1 . GLU 64 64 36244 1 . LYS 65 65 36244 1 . ASN 66 66 36244 1 . ARG 67 67 36244 1 . ASN 68 68 36244 1 . GLU 69 69 36244 1 . ILE 70 70 36244 1 . LYS 71 71 36244 1 . ASN 72 72 36244 1 . GLY 73 73 36244 1 . THR 74 74 36244 1 . ILE 75 75 36244 1 . LEU 76 76 36244 1 . ARG 77 77 36244 1 . LEU 78 78 36244 1 . THR 79 79 36244 1 . THR 80 80 36244 1 . SER 81 81 36244 1 . PRO 82 82 36244 1 . ALA 83 83 36244 1 . GLN 84 84 36244 1 . ASN 85 85 36244 1 . ALA 86 86 36244 1 . GLN 87 87 36244 1 . GLN 88 88 36244 1 . LEU 89 89 36244 1 . HIS 90 90 36244 1 . GLU 91 91 36244 1 . ARG 92 92 36244 1 . ILE 93 93 36244 1 . GLN 94 94 36244 1 . SER 95 95 36244 1 . SER 96 96 36244 1 . SER 97 97 36244 1 . MET 98 98 36244 1 . ASP 99 99 36244 1 . ALA 100 100 36244 1 . LYS 101 101 36244 1 . LEU 102 102 36244 1 . GLU 103 103 36244 1 . ALA 104 104 36244 1 . LEU 105 105 36244 1 . LYS 106 106 36244 1 . ASP 107 107 36244 1 . LEU 108 108 36244 1 . ALA 109 109 36244 1 . SER 110 110 36244 1 . LEU 111 111 36244 1 . SER 112 112 36244 1 . ARG 113 113 36244 1 . ASP 114 114 36244 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 36244 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'ELMO1, KIAA0281' . 36244 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 36244 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . . . . . . . . 36244 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36244 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] Elmo1 RBD, 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 'Elmo1 RBD' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36244 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36244 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36244 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 36244 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 36244 1 pH 7.0 . pH 36244 1 pressure 1 . atm 36244 1 temperature 298 . K 36244 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36244 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36244 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36244 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36244 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36244 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36244 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36244 _Software.ID 3 _Software.Type . _Software.Name Kujira _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N' . . 36244 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36244 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36244 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36244 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36244 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36244 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36244 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36244 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36244 _Software.ID 6 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36244 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36244 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 36244 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 900 . . . 36244 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 36244 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36244 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36244 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36244 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36244 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36244 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36244 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36244 1 2 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4 4 PRO HA H 1 4.701 0.03 . . . . . . A 3 PRO HA . 36244 1 2 . 1 . 1 4 4 PRO CA C 13 61.270 0.30 . . . . . . A 3 PRO CA . 36244 1 3 . 1 . 1 5 5 PRO HA H 1 4.383 0.03 . . . . . . A 4 PRO HA . 36244 1 4 . 1 . 1 5 5 PRO HB2 H 1 2.300 0.03 . . . . . . A 4 PRO HB2 . 36244 1 5 . 1 . 1 5 5 PRO HB3 H 1 1.929 0.03 . . . . . . A 4 PRO HB3 . 36244 1 6 . 1 . 1 5 5 PRO HG2 H 1 2.031 0.03 . . . . . . A 4 PRO HG2 . 36244 1 7 . 1 . 1 5 5 PRO HG3 H 1 2.031 0.03 . . . . . . A 4 PRO HG3 . 36244 1 8 . 1 . 1 5 5 PRO HD2 H 1 3.806 0.03 . . . . . . A 4 PRO HD2 . 36244 1 9 . 1 . 1 5 5 PRO HD3 H 1 3.625 0.03 . . . . . . A 4 PRO HD3 . 36244 1 10 . 1 . 1 5 5 PRO C C 13 176.688 0.30 . . . . . . A 4 PRO C . 36244 1 11 . 1 . 1 5 5 PRO CA C 13 62.962 0.30 . . . . . . A 4 PRO CA . 36244 1 12 . 1 . 1 5 5 PRO CB C 13 32.074 0.30 . . . . . . A 4 PRO CB . 36244 1 13 . 1 . 1 5 5 PRO CG C 13 27.447 0.30 . . . . . . A 4 PRO CG . 36244 1 14 . 1 . 1 5 5 PRO CD C 13 50.403 0.30 . . . . . . A 4 PRO CD . 36244 1 15 . 1 . 1 6 6 ALA H H 1 8.318 0.03 . . . . . . A 5 ALA H . 36244 1 16 . 1 . 1 6 6 ALA HA H 1 4.311 0.03 . . . . . . A 5 ALA HA . 36244 1 17 . 1 . 1 6 6 ALA HB1 H 1 1.377 0.03 . . . . . . A 5 ALA HB1 . 36244 1 18 . 1 . 1 6 6 ALA HB2 H 1 1.377 0.03 . . . . . . A 5 ALA HB2 . 36244 1 19 . 1 . 1 6 6 ALA HB3 H 1 1.377 0.03 . . . . . . A 5 ALA HB3 . 36244 1 20 . 1 . 1 6 6 ALA C C 13 177.331 0.30 . . . . . . A 5 ALA C . 36244 1 21 . 1 . 1 6 6 ALA CA C 13 52.350 0.30 . . . . . . A 5 ALA CA . 36244 1 22 . 1 . 1 6 6 ALA CB C 13 19.704 0.30 . . . . . . A 5 ALA CB . 36244 1 23 . 1 . 1 6 6 ALA N N 15 123.897 0.30 . . . . . . A 5 ALA N . 36244 1 24 . 1 . 1 7 7 ASP H H 1 8.423 0.03 . . . . . . A 6 ASP H . 36244 1 25 . 1 . 1 7 7 ASP HA H 1 4.570 0.03 . . . . . . A 6 ASP HA . 36244 1 26 . 1 . 1 7 7 ASP HB2 H 1 2.704 0.03 . . . . . . A 6 ASP HB2 . 36244 1 27 . 1 . 1 7 7 ASP HB3 H 1 2.589 0.03 . . . . . . A 6 ASP HB3 . 36244 1 28 . 1 . 1 7 7 ASP C C 13 174.393 0.30 . . . . . . A 6 ASP C . 36244 1 29 . 1 . 1 7 7 ASP CA C 13 54.458 0.30 . . . . . . A 6 ASP CA . 36244 1 30 . 1 . 1 7 7 ASP CB C 13 41.096 0.30 . . . . . . A 6 ASP CB . 36244 1 31 . 1 . 1 7 7 ASP N N 15 119.485 0.30 . . . . . . A 6 ASP N . 36244 1 32 . 1 . 1 8 8 ILE H H 1 7.543 0.03 . . . . . . A 7 ILE H . 36244 1 33 . 1 . 1 8 8 ILE HA H 1 4.908 0.03 . . . . . . A 7 ILE HA . 36244 1 34 . 1 . 1 8 8 ILE HB H 1 1.695 0.03 . . . . . . A 7 ILE HB . 36244 1 35 . 1 . 1 8 8 ILE HG12 H 1 1.411 0.03 . . . . . . A 7 ILE HG12 . 36244 1 36 . 1 . 1 8 8 ILE HG13 H 1 1.114 0.03 . . . . . . A 7 ILE HG13 . 36244 1 37 . 1 . 1 8 8 ILE HG21 H 1 0.717 0.03 . . . . . . A 7 ILE HG21 . 36244 1 38 . 1 . 1 8 8 ILE HG22 H 1 0.717 0.03 . . . . . . A 7 ILE HG22 . 36244 1 39 . 1 . 1 8 8 ILE HG23 H 1 0.717 0.03 . . . . . . A 7 ILE HG23 . 36244 1 40 . 1 . 1 8 8 ILE HD11 H 1 0.749 0.03 . . . . . . A 7 ILE HD11 . 36244 1 41 . 1 . 1 8 8 ILE HD12 H 1 0.749 0.03 . . . . . . A 7 ILE HD12 . 36244 1 42 . 1 . 1 8 8 ILE HD13 H 1 0.749 0.03 . . . . . . A 7 ILE HD13 . 36244 1 43 . 1 . 1 8 8 ILE C C 13 176.118 0.30 . . . . . . A 7 ILE C . 36244 1 44 . 1 . 1 8 8 ILE CA C 13 59.286 0.30 . . . . . . A 7 ILE CA . 36244 1 45 . 1 . 1 8 8 ILE CB C 13 40.006 0.30 . . . . . . A 7 ILE CB . 36244 1 46 . 1 . 1 8 8 ILE CG1 C 13 27.151 0.30 . . . . . . A 7 ILE CG1 . 36244 1 47 . 1 . 1 8 8 ILE CG2 C 13 18.050 0.30 . . . . . . A 7 ILE CG2 . 36244 1 48 . 1 . 1 8 8 ILE CD1 C 13 12.387 0.30 . . . . . . A 7 ILE CD1 . 36244 1 49 . 1 . 1 8 8 ILE N N 15 119.151 0.30 . . . . . . A 7 ILE N . 36244 1 50 . 1 . 1 9 9 VAL H H 1 8.610 0.03 . . . . . . A 8 VAL H . 36244 1 51 . 1 . 1 9 9 VAL HA H 1 4.588 0.03 . . . . . . A 8 VAL HA . 36244 1 52 . 1 . 1 9 9 VAL HB H 1 1.783 0.03 . . . . . . A 8 VAL HB . 36244 1 53 . 1 . 1 9 9 VAL HG11 H 1 0.781 0.03 . . . . . . A 8 VAL HG11 . 36244 1 54 . 1 . 1 9 9 VAL HG12 H 1 0.781 0.03 . . . . . . A 8 VAL HG12 . 36244 1 55 . 1 . 1 9 9 VAL HG13 H 1 0.781 0.03 . . . . . . A 8 VAL HG13 . 36244 1 56 . 1 . 1 9 9 VAL HG21 H 1 0.807 0.03 . . . . . . A 8 VAL HG21 . 36244 1 57 . 1 . 1 9 9 VAL HG22 H 1 0.807 0.03 . . . . . . A 8 VAL HG22 . 36244 1 58 . 1 . 1 9 9 VAL HG23 H 1 0.807 0.03 . . . . . . A 8 VAL HG23 . 36244 1 59 . 1 . 1 9 9 VAL C C 13 173.866 0.30 . . . . . . A 8 VAL C . 36244 1 60 . 1 . 1 9 9 VAL CA C 13 60.211 0.30 . . . . . . A 8 VAL CA . 36244 1 61 . 1 . 1 9 9 VAL CB C 13 34.825 0.30 . . . . . . A 8 VAL CB . 36244 1 62 . 1 . 1 9 9 VAL CG1 C 13 21.409 0.30 . . . . . . A 8 VAL CG1 . 36244 1 63 . 1 . 1 9 9 VAL CG2 C 13 20.337 0.30 . . . . . . A 8 VAL CG2 . 36244 1 64 . 1 . 1 9 9 VAL N N 15 123.897 0.30 . . . . . . A 8 VAL N . 36244 1 65 . 1 . 1 10 10 LYS H H 1 8.679 0.03 . . . . . . A 9 LYS H . 36244 1 66 . 1 . 1 10 10 LYS HA H 1 4.925 0.03 . . . . . . A 9 LYS HA . 36244 1 67 . 1 . 1 10 10 LYS HB2 H 1 1.807 0.03 . . . . . . A 9 LYS HB2 . 36244 1 68 . 1 . 1 10 10 LYS HB3 H 1 1.647 0.03 . . . . . . A 9 LYS HB3 . 36244 1 69 . 1 . 1 10 10 LYS HG2 H 1 1.344 0.03 . . . . . . A 9 LYS HG2 . 36244 1 70 . 1 . 1 10 10 LYS HG3 H 1 1.250 0.03 . . . . . . A 9 LYS HG3 . 36244 1 71 . 1 . 1 10 10 LYS HD2 H 1 1.605 0.03 . . . . . . A 9 LYS HD2 . 36244 1 72 . 1 . 1 10 10 LYS HD3 H 1 1.605 0.03 . . . . . . A 9 LYS HD3 . 36244 1 73 . 1 . 1 10 10 LYS HE2 H 1 2.867 0.03 . . . . . . A 9 LYS HE2 . 36244 1 74 . 1 . 1 10 10 LYS HE3 H 1 2.867 0.03 . . . . . . A 9 LYS HE3 . 36244 1 75 . 1 . 1 10 10 LYS C C 13 175.548 0.30 . . . . . . A 9 LYS C . 36244 1 76 . 1 . 1 10 10 LYS CA C 13 55.912 0.30 . . . . . . A 9 LYS CA . 36244 1 77 . 1 . 1 10 10 LYS CB C 13 33.440 0.30 . . . . . . A 9 LYS CB . 36244 1 78 . 1 . 1 10 10 LYS CG C 13 25.500 0.30 . . . . . . A 9 LYS CG . 36244 1 79 . 1 . 1 10 10 LYS CD C 13 29.537 0.30 . . . . . . A 9 LYS CD . 36244 1 80 . 1 . 1 10 10 LYS CE C 13 41.953 0.30 . . . . . . A 9 LYS CE . 36244 1 81 . 1 . 1 10 10 LYS N N 15 126.799 0.30 . . . . . . A 9 LYS N . 36244 1 82 . 1 . 1 11 11 VAL H H 1 8.681 0.03 . . . . . . A 10 VAL H . 36244 1 83 . 1 . 1 11 11 VAL HA H 1 4.979 0.03 . . . . . . A 10 VAL HA . 36244 1 84 . 1 . 1 11 11 VAL HB H 1 2.257 0.03 . . . . . . A 10 VAL HB . 36244 1 85 . 1 . 1 11 11 VAL HG11 H 1 0.770 0.03 . . . . . . A 10 VAL HG11 . 36244 1 86 . 1 . 1 11 11 VAL HG12 H 1 0.770 0.03 . . . . . . A 10 VAL HG12 . 36244 1 87 . 1 . 1 11 11 VAL HG13 H 1 0.770 0.03 . . . . . . A 10 VAL HG13 . 36244 1 88 . 1 . 1 11 11 VAL HG21 H 1 0.627 0.03 . . . . . . A 10 VAL HG21 . 36244 1 89 . 1 . 1 11 11 VAL HG22 H 1 0.627 0.03 . . . . . . A 10 VAL HG22 . 36244 1 90 . 1 . 1 11 11 VAL HG23 H 1 0.627 0.03 . . . . . . A 10 VAL HG23 . 36244 1 91 . 1 . 1 11 11 VAL C C 13 174.046 0.30 . . . . . . A 10 VAL C . 36244 1 92 . 1 . 1 11 11 VAL CA C 13 58.694 0.30 . . . . . . A 10 VAL CA . 36244 1 93 . 1 . 1 11 11 VAL CB C 13 35.486 0.30 . . . . . . A 10 VAL CB . 36244 1 94 . 1 . 1 11 11 VAL CG1 C 13 22.552 0.30 . . . . . . A 10 VAL CG1 . 36244 1 95 . 1 . 1 11 11 VAL CG2 C 13 18.587 0.30 . . . . . . A 10 VAL CG2 . 36244 1 96 . 1 . 1 11 11 VAL N N 15 116.937 0.30 . . . . . . A 10 VAL N . 36244 1 97 . 1 . 1 12 12 ALA H H 1 8.160 0.03 . . . . . . A 11 ALA H . 36244 1 98 . 1 . 1 12 12 ALA HA H 1 5.365 0.03 . . . . . . A 11 ALA HA . 36244 1 99 . 1 . 1 12 12 ALA HB1 H 1 1.280 0.03 . . . . . . A 11 ALA HB1 . 36244 1 100 . 1 . 1 12 12 ALA HB2 H 1 1.280 0.03 . . . . . . A 11 ALA HB2 . 36244 1 101 . 1 . 1 12 12 ALA HB3 H 1 1.280 0.03 . . . . . . A 11 ALA HB3 . 36244 1 102 . 1 . 1 12 12 ALA C C 13 175.918 0.30 . . . . . . A 11 ALA C . 36244 1 103 . 1 . 1 12 12 ALA CA C 13 50.323 0.30 . . . . . . A 11 ALA CA . 36244 1 104 . 1 . 1 12 12 ALA CB C 13 21.981 0.30 . . . . . . A 11 ALA CB . 36244 1 105 . 1 . 1 12 12 ALA N N 15 122.526 0.30 . . . . . . A 11 ALA N . 36244 1 106 . 1 . 1 13 13 ILE H H 1 9.112 0.03 . . . . . . A 12 ILE H . 36244 1 107 . 1 . 1 13 13 ILE HA H 1 4.973 0.03 . . . . . . A 12 ILE HA . 36244 1 108 . 1 . 1 13 13 ILE HB H 1 1.894 0.03 . . . . . . A 12 ILE HB . 36244 1 109 . 1 . 1 13 13 ILE HG12 H 1 1.491 0.03 . . . . . . A 12 ILE HG12 . 36244 1 110 . 1 . 1 13 13 ILE HG13 H 1 1.065 0.03 . . . . . . A 12 ILE HG13 . 36244 1 111 . 1 . 1 13 13 ILE HG21 H 1 1.003 0.03 . . . . . . A 12 ILE HG21 . 36244 1 112 . 1 . 1 13 13 ILE HG22 H 1 1.003 0.03 . . . . . . A 12 ILE HG22 . 36244 1 113 . 1 . 1 13 13 ILE HG23 H 1 1.003 0.03 . . . . . . A 12 ILE HG23 . 36244 1 114 . 1 . 1 13 13 ILE HD11 H 1 0.686 0.03 . . . . . . A 12 ILE HD11 . 36244 1 115 . 1 . 1 13 13 ILE HD12 H 1 0.686 0.03 . . . . . . A 12 ILE HD12 . 36244 1 116 . 1 . 1 13 13 ILE HD13 H 1 0.686 0.03 . . . . . . A 12 ILE HD13 . 36244 1 117 . 1 . 1 13 13 ILE C C 13 175.395 0.30 . . . . . . A 12 ILE C . 36244 1 118 . 1 . 1 13 13 ILE CA C 13 59.576 0.30 . . . . . . A 12 ILE CA . 36244 1 119 . 1 . 1 13 13 ILE CB C 13 39.550 0.30 . . . . . . A 12 ILE CB . 36244 1 120 . 1 . 1 13 13 ILE CG1 C 13 27.975 0.30 . . . . . . A 12 ILE CG1 . 36244 1 121 . 1 . 1 13 13 ILE CG2 C 13 18.524 0.30 . . . . . . A 12 ILE CG2 . 36244 1 122 . 1 . 1 13 13 ILE CD1 C 13 13.736 0.30 . . . . . . A 12 ILE CD1 . 36244 1 123 . 1 . 1 13 13 ILE N N 15 120.470 0.30 . . . . . . A 12 ILE N . 36244 1 124 . 1 . 1 14 14 GLU H H 1 9.101 0.03 . . . . . . A 13 GLU H . 36244 1 125 . 1 . 1 14 14 GLU HA H 1 4.879 0.03 . . . . . . A 13 GLU HA . 36244 1 126 . 1 . 1 14 14 GLU HB2 H 1 1.942 0.03 . . . . . . A 13 GLU HB2 . 36244 1 127 . 1 . 1 14 14 GLU HB3 H 1 1.942 0.03 . . . . . . A 13 GLU HB3 . 36244 1 128 . 1 . 1 14 14 GLU HG2 H 1 2.271 0.03 . . . . . . A 13 GLU HG2 . 36244 1 129 . 1 . 1 14 14 GLU HG3 H 1 2.056 0.03 . . . . . . A 13 GLU HG3 . 36244 1 130 . 1 . 1 14 14 GLU C C 13 175.128 0.30 . . . . . . A 13 GLU C . 36244 1 131 . 1 . 1 14 14 GLU CA C 13 55.236 0.30 . . . . . . A 13 GLU CA . 36244 1 132 . 1 . 1 14 14 GLU CB C 13 33.101 0.30 . . . . . . A 13 GLU CB . 36244 1 133 . 1 . 1 14 14 GLU CG C 13 36.459 0.30 . . . . . . A 13 GLU CG . 36244 1 134 . 1 . 1 14 14 GLU N N 15 125.467 0.30 . . . . . . A 13 GLU N . 36244 1 135 . 1 . 1 15 15 TRP H H 1 8.427 0.03 . . . . . . A 14 TRP H . 36244 1 136 . 1 . 1 15 15 TRP HA H 1 5.182 0.03 . . . . . . A 14 TRP HA . 36244 1 137 . 1 . 1 15 15 TRP HB2 H 1 2.538 0.03 . . . . . . A 14 TRP HB2 . 36244 1 138 . 1 . 1 15 15 TRP HB3 H 1 1.621 0.03 . . . . . . A 14 TRP HB3 . 36244 1 139 . 1 . 1 15 15 TRP HD1 H 1 6.213 0.03 . . . . . . A 14 TRP HD1 . 36244 1 140 . 1 . 1 15 15 TRP HE1 H 1 9.777 0.03 . . . . . . A 14 TRP HE1 . 36244 1 141 . 1 . 1 15 15 TRP HE3 H 1 7.465 0.03 . . . . . . A 14 TRP HE3 . 36244 1 142 . 1 . 1 15 15 TRP HZ2 H 1 7.421 0.03 . . . . . . A 14 TRP HZ2 . 36244 1 143 . 1 . 1 15 15 TRP HZ3 H 1 6.887 0.03 . . . . . . A 14 TRP HZ3 . 36244 1 144 . 1 . 1 15 15 TRP HH2 H 1 7.226 0.03 . . . . . . A 14 TRP HH2 . 36244 1 145 . 1 . 1 15 15 TRP C C 13 173.281 0.30 . . . . . . A 14 TRP C . 36244 1 146 . 1 . 1 15 15 TRP CA C 13 53.467 0.30 . . . . . . A 14 TRP CA . 36244 1 147 . 1 . 1 15 15 TRP CB C 13 32.548 0.30 . . . . . . A 14 TRP CB . 36244 1 148 . 1 . 1 15 15 TRP CD1 C 13 126.816 0.30 . . . . . . A 14 TRP CD1 . 36244 1 149 . 1 . 1 15 15 TRP CE3 C 13 122.164 0.30 . . . . . . A 14 TRP CE3 . 36244 1 150 . 1 . 1 15 15 TRP CZ2 C 13 114.597 0.30 . . . . . . A 14 TRP CZ2 . 36244 1 151 . 1 . 1 15 15 TRP CZ3 C 13 121.064 0.30 . . . . . . A 14 TRP CZ3 . 36244 1 152 . 1 . 1 15 15 TRP CH2 C 13 124.165 0.30 . . . . . . A 14 TRP CH2 . 36244 1 153 . 1 . 1 15 15 TRP N N 15 125.005 0.30 . . . . . . A 14 TRP N . 36244 1 154 . 1 . 1 15 15 TRP NE1 N 15 127.695 0.30 . . . . . . A 14 TRP NE1 . 36244 1 155 . 1 . 1 16 16 PRO HA H 1 3.977 0.03 . . . . . . A 15 PRO HA . 36244 1 156 . 1 . 1 16 16 PRO HB2 H 1 1.968 0.03 . . . . . . A 15 PRO HB2 . 36244 1 157 . 1 . 1 16 16 PRO HB3 H 1 1.369 0.03 . . . . . . A 15 PRO HB3 . 36244 1 158 . 1 . 1 16 16 PRO HG2 H 1 1.575 0.03 . . . . . . A 15 PRO HG2 . 36244 1 159 . 1 . 1 16 16 PRO HG3 H 1 1.575 0.03 . . . . . . A 15 PRO HG3 . 36244 1 160 . 1 . 1 16 16 PRO HD2 H 1 3.575 0.03 . . . . . . A 15 PRO HD2 . 36244 1 161 . 1 . 1 16 16 PRO HD3 H 1 2.520 0.03 . . . . . . A 15 PRO HD3 . 36244 1 162 . 1 . 1 16 16 PRO C C 13 176.868 0.30 . . . . . . A 15 PRO C . 36244 1 163 . 1 . 1 16 16 PRO CA C 13 64.114 0.30 . . . . . . A 15 PRO CA . 36244 1 164 . 1 . 1 16 16 PRO CB C 13 31.211 0.30 . . . . . . A 15 PRO CB . 36244 1 165 . 1 . 1 16 16 PRO CG C 13 27.322 0.30 . . . . . . A 15 PRO CG . 36244 1 166 . 1 . 1 16 16 PRO CD C 13 51.252 0.30 . . . . . . A 15 PRO CD . 36244 1 167 . 1 . 1 17 17 GLY H H 1 7.877 0.03 . . . . . . A 16 GLY H . 36244 1 168 . 1 . 1 17 17 GLY HA2 H 1 3.782 0.03 . . . . . . A 16 GLY HA2 . 36244 1 169 . 1 . 1 17 17 GLY HA3 H 1 3.489 0.03 . . . . . . A 16 GLY HA3 . 36244 1 170 . 1 . 1 17 17 GLY C C 13 173.128 0.30 . . . . . . A 16 GLY C . 36244 1 171 . 1 . 1 17 17 GLY CA C 13 45.004 0.30 . . . . . . A 16 GLY CA . 36244 1 172 . 1 . 1 17 17 GLY N N 15 110.418 0.30 . . . . . . A 16 GLY N . 36244 1 173 . 1 . 1 18 18 ALA H H 1 8.054 0.03 . . . . . . A 17 ALA H . 36244 1 174 . 1 . 1 18 18 ALA HA H 1 4.644 0.03 . . . . . . A 17 ALA HA . 36244 1 175 . 1 . 1 18 18 ALA HB1 H 1 1.132 0.03 . . . . . . A 17 ALA HB1 . 36244 1 176 . 1 . 1 18 18 ALA HB2 H 1 1.132 0.03 . . . . . . A 17 ALA HB2 . 36244 1 177 . 1 . 1 18 18 ALA HB3 H 1 1.132 0.03 . . . . . . A 17 ALA HB3 . 36244 1 178 . 1 . 1 18 18 ALA C C 13 177.309 0.30 . . . . . . A 17 ALA C . 36244 1 179 . 1 . 1 18 18 ALA CA C 13 50.276 0.30 . . . . . . A 17 ALA CA . 36244 1 180 . 1 . 1 18 18 ALA CB C 13 21.501 0.30 . . . . . . A 17 ALA CB . 36244 1 181 . 1 . 1 18 18 ALA N N 15 123.810 0.30 . . . . . . A 17 ALA N . 36244 1 182 . 1 . 1 19 19 TYR H H 1 8.336 0.03 . . . . . . A 18 TYR H . 36244 1 183 . 1 . 1 19 19 TYR HA H 1 4.843 0.03 . . . . . . A 18 TYR HA . 36244 1 184 . 1 . 1 19 19 TYR HB2 H 1 3.211 0.03 . . . . . . A 18 TYR HB2 . 36244 1 185 . 1 . 1 19 19 TYR HB3 H 1 2.974 0.03 . . . . . . A 18 TYR HB3 . 36244 1 186 . 1 . 1 19 19 TYR HD1 H 1 7.329 0.03 . . . . . . A 18 TYR HD1 . 36244 1 187 . 1 . 1 19 19 TYR HD2 H 1 7.329 0.03 . . . . . . A 18 TYR HD2 . 36244 1 188 . 1 . 1 19 19 TYR HE1 H 1 6.906 0.03 . . . . . . A 18 TYR HE1 . 36244 1 189 . 1 . 1 19 19 TYR HE2 H 1 6.906 0.03 . . . . . . A 18 TYR HE2 . 36244 1 190 . 1 . 1 19 19 TYR C C 13 174.404 0.30 . . . . . . A 18 TYR C . 36244 1 191 . 1 . 1 19 19 TYR CA C 13 56.610 0.30 . . . . . . A 18 TYR CA . 36244 1 192 . 1 . 1 19 19 TYR CB C 13 37.442 0.30 . . . . . . A 18 TYR CB . 36244 1 193 . 1 . 1 19 19 TYR CD1 C 13 133.329 0.30 . . . . . . A 18 TYR CD1 . 36244 1 194 . 1 . 1 19 19 TYR CD2 C 13 133.329 0.30 . . . . . . A 18 TYR CD2 . 36244 1 195 . 1 . 1 19 19 TYR CE1 C 13 118.337 0.30 . . . . . . A 18 TYR CE1 . 36244 1 196 . 1 . 1 19 19 TYR CE2 C 13 118.337 0.30 . . . . . . A 18 TYR CE2 . 36244 1 197 . 1 . 1 19 19 TYR N N 15 122.509 0.30 . . . . . . A 18 TYR N . 36244 1 198 . 1 . 1 20 20 PRO HA H 1 4.974 0.03 . . . . . . A 19 PRO HA . 36244 1 199 . 1 . 1 20 20 PRO HB2 H 1 2.164 0.03 . . . . . . A 19 PRO HB2 . 36244 1 200 . 1 . 1 20 20 PRO HB3 H 1 1.776 0.03 . . . . . . A 19 PRO HB3 . 36244 1 201 . 1 . 1 20 20 PRO HG2 H 1 2.088 0.03 . . . . . . A 19 PRO HG2 . 36244 1 202 . 1 . 1 20 20 PRO HG3 H 1 2.053 0.03 . . . . . . A 19 PRO HG3 . 36244 1 203 . 1 . 1 20 20 PRO HD2 H 1 3.944 0.03 . . . . . . A 19 PRO HD2 . 36244 1 204 . 1 . 1 20 20 PRO HD3 H 1 3.465 0.03 . . . . . . A 19 PRO HD3 . 36244 1 205 . 1 . 1 20 20 PRO C C 13 176.517 0.30 . . . . . . A 19 PRO C . 36244 1 206 . 1 . 1 20 20 PRO CA C 13 63.596 0.30 . . . . . . A 19 PRO CA . 36244 1 207 . 1 . 1 20 20 PRO CB C 13 32.405 0.30 . . . . . . A 19 PRO CB . 36244 1 208 . 1 . 1 20 20 PRO CG C 13 27.760 0.30 . . . . . . A 19 PRO CG . 36244 1 209 . 1 . 1 20 20 PRO CD C 13 50.457 0.30 . . . . . . A 19 PRO CD . 36244 1 210 . 1 . 1 21 21 LYS H H 1 8.906 0.03 . . . . . . A 20 LYS H . 36244 1 211 . 1 . 1 21 21 LYS HA H 1 4.654 0.03 . . . . . . A 20 LYS HA . 36244 1 212 . 1 . 1 21 21 LYS HB2 H 1 1.691 0.03 . . . . . . A 20 LYS HB2 . 36244 1 213 . 1 . 1 21 21 LYS HB3 H 1 1.627 0.03 . . . . . . A 20 LYS HB3 . 36244 1 214 . 1 . 1 21 21 LYS HG2 H 1 1.179 0.03 . . . . . . A 20 LYS HG2 . 36244 1 215 . 1 . 1 21 21 LYS HG3 H 1 1.140 0.03 . . . . . . A 20 LYS HG3 . 36244 1 216 . 1 . 1 21 21 LYS HD2 H 1 1.191 0.03 . . . . . . A 20 LYS HD2 . 36244 1 217 . 1 . 1 21 21 LYS HD3 H 1 1.088 0.03 . . . . . . A 20 LYS HD3 . 36244 1 218 . 1 . 1 21 21 LYS HE2 H 1 2.540 0.03 . . . . . . A 20 LYS HE2 . 36244 1 219 . 1 . 1 21 21 LYS HE3 H 1 2.366 0.03 . . . . . . A 20 LYS HE3 . 36244 1 220 . 1 . 1 21 21 LYS C C 13 175.234 0.30 . . . . . . A 20 LYS C . 36244 1 221 . 1 . 1 21 21 LYS CA C 13 54.639 0.30 . . . . . . A 20 LYS CA . 36244 1 222 . 1 . 1 21 21 LYS CB C 13 35.816 0.30 . . . . . . A 20 LYS CB . 36244 1 223 . 1 . 1 21 21 LYS CG C 13 24.806 0.30 . . . . . . A 20 LYS CG . 36244 1 224 . 1 . 1 21 21 LYS CD C 13 28.902 0.30 . . . . . . A 20 LYS CD . 36244 1 225 . 1 . 1 21 21 LYS CE C 13 41.820 0.30 . . . . . . A 20 LYS CE . 36244 1 226 . 1 . 1 21 21 LYS N N 15 122.931 0.30 . . . . . . A 20 LYS N . 36244 1 227 . 1 . 1 22 22 LEU H H 1 8.527 0.03 . . . . . . A 21 LEU H . 36244 1 228 . 1 . 1 22 22 LEU HA H 1 5.062 0.03 . . . . . . A 21 LEU HA . 36244 1 229 . 1 . 1 22 22 LEU HB2 H 1 1.664 0.03 . . . . . . A 21 LEU HB2 . 36244 1 230 . 1 . 1 22 22 LEU HB3 H 1 1.468 0.03 . . . . . . A 21 LEU HB3 . 36244 1 231 . 1 . 1 22 22 LEU HG H 1 1.650 0.03 . . . . . . A 21 LEU HG . 36244 1 232 . 1 . 1 22 22 LEU HD11 H 1 0.873 0.03 . . . . . . A 21 LEU HD11 . 36244 1 233 . 1 . 1 22 22 LEU HD12 H 1 0.873 0.03 . . . . . . A 21 LEU HD12 . 36244 1 234 . 1 . 1 22 22 LEU HD13 H 1 0.873 0.03 . . . . . . A 21 LEU HD13 . 36244 1 235 . 1 . 1 22 22 LEU HD21 H 1 0.831 0.03 . . . . . . A 21 LEU HD21 . 36244 1 236 . 1 . 1 22 22 LEU HD22 H 1 0.831 0.03 . . . . . . A 21 LEU HD22 . 36244 1 237 . 1 . 1 22 22 LEU HD23 H 1 0.831 0.03 . . . . . . A 21 LEU HD23 . 36244 1 238 . 1 . 1 22 22 LEU C C 13 176.838 0.30 . . . . . . A 21 LEU C . 36244 1 239 . 1 . 1 22 22 LEU CA C 13 54.396 0.30 . . . . . . A 21 LEU CA . 36244 1 240 . 1 . 1 22 22 LEU CB C 13 41.711 0.30 . . . . . . A 21 LEU CB . 36244 1 241 . 1 . 1 22 22 LEU CG C 13 27.543 0.30 . . . . . . A 21 LEU CG . 36244 1 242 . 1 . 1 22 22 LEU CD1 C 13 24.727 0.30 . . . . . . A 21 LEU CD1 . 36244 1 243 . 1 . 1 22 22 LEU CD2 C 13 23.811 0.30 . . . . . . A 21 LEU CD2 . 36244 1 244 . 1 . 1 22 22 LEU N N 15 127.062 0.30 . . . . . . A 21 LEU N . 36244 1 245 . 1 . 1 23 23 MET H H 1 8.987 0.03 . . . . . . A 22 MET H . 36244 1 246 . 1 . 1 23 23 MET HA H 1 4.715 0.03 . . . . . . A 22 MET HA . 36244 1 247 . 1 . 1 23 23 MET HB2 H 1 1.762 0.03 . . . . . . A 22 MET HB2 . 36244 1 248 . 1 . 1 23 23 MET HB3 H 1 1.654 0.03 . . . . . . A 22 MET HB3 . 36244 1 249 . 1 . 1 23 23 MET HG2 H 1 2.202 0.03 . . . . . . A 22 MET HG2 . 36244 1 250 . 1 . 1 23 23 MET HG3 H 1 2.137 0.03 . . . . . . A 22 MET HG3 . 36244 1 251 . 1 . 1 23 23 MET HE1 H 1 1.849 0.03 . . . . . . A 22 MET HE1 . 36244 1 252 . 1 . 1 23 23 MET HE2 H 1 1.849 0.03 . . . . . . A 22 MET HE2 . 36244 1 253 . 1 . 1 23 23 MET HE3 H 1 1.849 0.03 . . . . . . A 22 MET HE3 . 36244 1 254 . 1 . 1 23 23 MET C C 13 173.575 0.30 . . . . . . A 22 MET C . 36244 1 255 . 1 . 1 23 23 MET CA C 13 54.637 0.30 . . . . . . A 22 MET CA . 36244 1 256 . 1 . 1 23 23 MET CB C 13 36.852 0.30 . . . . . . A 22 MET CB . 36244 1 257 . 1 . 1 23 23 MET CG C 13 31.632 0.30 . . . . . . A 22 MET CG . 36244 1 258 . 1 . 1 23 23 MET CE C 13 17.283 0.30 . . . . . . A 22 MET CE . 36244 1 259 . 1 . 1 23 23 MET N N 15 123.002 0.30 . . . . . . A 22 MET N . 36244 1 260 . 1 . 1 24 24 GLU H H 1 8.398 0.03 . . . . . . A 23 GLU H . 36244 1 261 . 1 . 1 24 24 GLU HA H 1 4.748 0.03 . . . . . . A 23 GLU HA . 36244 1 262 . 1 . 1 24 24 GLU HB2 H 1 1.868 0.03 . . . . . . A 23 GLU HB2 . 36244 1 263 . 1 . 1 24 24 GLU HB3 H 1 1.703 0.03 . . . . . . A 23 GLU HB3 . 36244 1 264 . 1 . 1 24 24 GLU HG2 H 1 2.212 0.03 . . . . . . A 23 GLU HG2 . 36244 1 265 . 1 . 1 24 24 GLU HG3 H 1 1.913 0.03 . . . . . . A 23 GLU HG3 . 36244 1 266 . 1 . 1 24 24 GLU C C 13 176.138 0.30 . . . . . . A 23 GLU C . 36244 1 267 . 1 . 1 24 24 GLU CA C 13 55.191 0.30 . . . . . . A 23 GLU CA . 36244 1 268 . 1 . 1 24 24 GLU CB C 13 30.475 0.30 . . . . . . A 23 GLU CB . 36244 1 269 . 1 . 1 24 24 GLU CG C 13 37.139 0.30 . . . . . . A 23 GLU CG . 36244 1 270 . 1 . 1 24 24 GLU N N 15 122.105 0.30 . . . . . . A 23 GLU N . 36244 1 271 . 1 . 1 25 25 ILE H H 1 9.241 0.03 . . . . . . A 24 ILE H . 36244 1 272 . 1 . 1 25 25 ILE HA H 1 4.007 0.03 . . . . . . A 24 ILE HA . 36244 1 273 . 1 . 1 25 25 ILE HB H 1 1.840 0.03 . . . . . . A 24 ILE HB . 36244 1 274 . 1 . 1 25 25 ILE HG12 H 1 1.374 0.03 . . . . . . A 24 ILE HG12 . 36244 1 275 . 1 . 1 25 25 ILE HG13 H 1 1.010 0.03 . . . . . . A 24 ILE HG13 . 36244 1 276 . 1 . 1 25 25 ILE HG21 H 1 0.596 0.03 . . . . . . A 24 ILE HG21 . 36244 1 277 . 1 . 1 25 25 ILE HG22 H 1 0.596 0.03 . . . . . . A 24 ILE HG22 . 36244 1 278 . 1 . 1 25 25 ILE HG23 H 1 0.596 0.03 . . . . . . A 24 ILE HG23 . 36244 1 279 . 1 . 1 25 25 ILE HD11 H 1 0.558 0.03 . . . . . . A 24 ILE HD11 . 36244 1 280 . 1 . 1 25 25 ILE HD12 H 1 0.558 0.03 . . . . . . A 24 ILE HD12 . 36244 1 281 . 1 . 1 25 25 ILE HD13 H 1 0.558 0.03 . . . . . . A 24 ILE HD13 . 36244 1 282 . 1 . 1 25 25 ILE C C 13 173.913 0.30 . . . . . . A 24 ILE C . 36244 1 283 . 1 . 1 25 25 ILE CA C 13 60.387 0.30 . . . . . . A 24 ILE CA . 36244 1 284 . 1 . 1 25 25 ILE CB C 13 38.638 0.30 . . . . . . A 24 ILE CB . 36244 1 285 . 1 . 1 25 25 ILE CG1 C 13 27.349 0.30 . . . . . . A 24 ILE CG1 . 36244 1 286 . 1 . 1 25 25 ILE CG2 C 13 16.267 0.30 . . . . . . A 24 ILE CG2 . 36244 1 287 . 1 . 1 25 25 ILE CD1 C 13 12.057 0.30 . . . . . . A 24 ILE CD1 . 36244 1 288 . 1 . 1 25 25 ILE N N 15 124.320 0.30 . . . . . . A 24 ILE N . 36244 1 289 . 1 . 1 26 26 ASP H H 1 7.921 0.03 . . . . . . A 25 ASP H . 36244 1 290 . 1 . 1 26 26 ASP HA H 1 4.796 0.03 . . . . . . A 25 ASP HA . 36244 1 291 . 1 . 1 26 26 ASP HB2 H 1 2.718 0.03 . . . . . . A 25 ASP HB2 . 36244 1 292 . 1 . 1 26 26 ASP HB3 H 1 2.545 0.03 . . . . . . A 25 ASP HB3 . 36244 1 293 . 1 . 1 26 26 ASP C C 13 177.736 0.30 . . . . . . A 25 ASP C . 36244 1 294 . 1 . 1 26 26 ASP CA C 13 52.810 0.30 . . . . . . A 25 ASP CA . 36244 1 295 . 1 . 1 26 26 ASP CB C 13 41.272 0.30 . . . . . . A 25 ASP CB . 36244 1 296 . 1 . 1 26 26 ASP N N 15 127.273 0.30 . . . . . . A 25 ASP N . 36244 1 297 . 1 . 1 27 27 GLN H H 1 8.902 0.03 . . . . . . A 26 GLN H . 36244 1 298 . 1 . 1 27 27 GLN HA H 1 4.690 0.03 . . . . . . A 26 GLN HA . 36244 1 299 . 1 . 1 27 27 GLN HB2 H 1 2.140 0.03 . . . . . . A 26 GLN HB2 . 36244 1 300 . 1 . 1 27 27 GLN HB3 H 1 1.966 0.03 . . . . . . A 26 GLN HB3 . 36244 1 301 . 1 . 1 27 27 GLN HG2 H 1 2.361 0.03 . . . . . . A 26 GLN HG2 . 36244 1 302 . 1 . 1 27 27 GLN HG3 H 1 2.231 0.03 . . . . . . A 26 GLN HG3 . 36244 1 303 . 1 . 1 27 27 GLN HE21 H 1 7.620 0.03 . . . . . . A 26 GLN HE21 . 36244 1 304 . 1 . 1 27 27 GLN HE22 H 1 6.345 0.03 . . . . . . A 26 GLN HE22 . 36244 1 305 . 1 . 1 27 27 GLN C C 13 176.685 0.30 . . . . . . A 26 GLN C . 36244 1 306 . 1 . 1 27 27 GLN CA C 13 57.366 0.30 . . . . . . A 26 GLN CA . 36244 1 307 . 1 . 1 27 27 GLN CB C 13 28.653 0.30 . . . . . . A 26 GLN CB . 36244 1 308 . 1 . 1 27 27 GLN CG C 13 31.798 0.30 . . . . . . A 26 GLN CG . 36244 1 309 . 1 . 1 27 27 GLN N N 15 124.162 0.30 . . . . . . A 26 GLN N . 36244 1 310 . 1 . 1 27 27 GLN NE2 N 15 112.665 0.30 . . . . . . A 26 GLN NE2 . 36244 1 311 . 1 . 1 28 28 LYS H H 1 8.618 0.03 . . . . . . A 27 LYS H . 36244 1 312 . 1 . 1 28 28 LYS HA H 1 4.265 0.03 . . . . . . A 27 LYS HA . 36244 1 313 . 1 . 1 28 28 LYS HB2 H 1 1.852 0.03 . . . . . . A 27 LYS HB2 . 36244 1 314 . 1 . 1 28 28 LYS HB3 H 1 1.852 0.03 . . . . . . A 27 LYS HB3 . 36244 1 315 . 1 . 1 28 28 LYS HG2 H 1 1.458 0.03 . . . . . . A 27 LYS HG2 . 36244 1 316 . 1 . 1 28 28 LYS HG3 H 1 1.404 0.03 . . . . . . A 27 LYS HG3 . 36244 1 317 . 1 . 1 28 28 LYS HD2 H 1 1.719 0.03 . . . . . . A 27 LYS HD2 . 36244 1 318 . 1 . 1 28 28 LYS HD3 H 1 1.658 0.03 . . . . . . A 27 LYS HD3 . 36244 1 319 . 1 . 1 28 28 LYS HE2 H 1 3.000 0.03 . . . . . . A 27 LYS HE2 . 36244 1 320 . 1 . 1 28 28 LYS HE3 H 1 3.000 0.03 . . . . . . A 27 LYS HE3 . 36244 1 321 . 1 . 1 28 28 LYS C C 13 177.325 0.30 . . . . . . A 27 LYS C . 36244 1 322 . 1 . 1 28 28 LYS CA C 13 56.164 0.30 . . . . . . A 27 LYS CA . 36244 1 323 . 1 . 1 28 28 LYS CB C 13 31.994 0.30 . . . . . . A 27 LYS CB . 36244 1 324 . 1 . 1 28 28 LYS CG C 13 24.771 0.30 . . . . . . A 27 LYS CG . 36244 1 325 . 1 . 1 28 28 LYS CD C 13 28.457 0.30 . . . . . . A 27 LYS CD . 36244 1 326 . 1 . 1 28 28 LYS CE C 13 41.516 0.30 . . . . . . A 27 LYS CE . 36244 1 327 . 1 . 1 28 28 LYS N N 15 117.235 0.30 . . . . . . A 27 LYS N . 36244 1 328 . 1 . 1 29 29 LYS H H 1 7.815 0.03 . . . . . . A 28 LYS H . 36244 1 329 . 1 . 1 29 29 LYS HA H 1 4.627 0.03 . . . . . . A 28 LYS HA . 36244 1 330 . 1 . 1 29 29 LYS HB2 H 1 1.811 0.03 . . . . . . A 28 LYS HB2 . 36244 1 331 . 1 . 1 29 29 LYS HB3 H 1 1.811 0.03 . . . . . . A 28 LYS HB3 . 36244 1 332 . 1 . 1 29 29 LYS HG2 H 1 1.449 0.03 . . . . . . A 28 LYS HG2 . 36244 1 333 . 1 . 1 29 29 LYS HG3 H 1 1.449 0.03 . . . . . . A 28 LYS HG3 . 36244 1 334 . 1 . 1 29 29 LYS HD2 H 1 1.637 0.03 . . . . . . A 28 LYS HD2 . 36244 1 335 . 1 . 1 29 29 LYS HD3 H 1 1.637 0.03 . . . . . . A 28 LYS HD3 . 36244 1 336 . 1 . 1 29 29 LYS HE2 H 1 2.937 0.03 . . . . . . A 28 LYS HE2 . 36244 1 337 . 1 . 1 29 29 LYS HE3 H 1 2.836 0.03 . . . . . . A 28 LYS HE3 . 36244 1 338 . 1 . 1 29 29 LYS C C 13 174.119 0.30 . . . . . . A 28 LYS C . 36244 1 339 . 1 . 1 29 29 LYS CA C 13 53.932 0.30 . . . . . . A 28 LYS CA . 36244 1 340 . 1 . 1 29 29 LYS CB C 13 33.816 0.30 . . . . . . A 28 LYS CB . 36244 1 341 . 1 . 1 29 29 LYS CG C 13 25.303 0.30 . . . . . . A 28 LYS CG . 36244 1 342 . 1 . 1 29 29 LYS CD C 13 29.967 0.30 . . . . . . A 28 LYS CD . 36244 1 343 . 1 . 1 29 29 LYS CE C 13 41.891 0.30 . . . . . . A 28 LYS CE . 36244 1 344 . 1 . 1 29 29 LYS N N 15 123.072 0.30 . . . . . . A 28 LYS N . 36244 1 345 . 1 . 1 30 30 PRO HA H 1 4.546 0.03 . . . . . . A 29 PRO HA . 36244 1 346 . 1 . 1 30 30 PRO HB2 H 1 2.460 0.03 . . . . . . A 29 PRO HB2 . 36244 1 347 . 1 . 1 30 30 PRO HB3 H 1 1.975 0.03 . . . . . . A 29 PRO HB3 . 36244 1 348 . 1 . 1 30 30 PRO HG2 H 1 2.100 0.03 . . . . . . A 29 PRO HG2 . 36244 1 349 . 1 . 1 30 30 PRO HG3 H 1 2.100 0.03 . . . . . . A 29 PRO HG3 . 36244 1 350 . 1 . 1 30 30 PRO HD2 H 1 3.969 0.03 . . . . . . A 29 PRO HD2 . 36244 1 351 . 1 . 1 30 30 PRO HD3 H 1 3.619 0.03 . . . . . . A 29 PRO HD3 . 36244 1 352 . 1 . 1 30 30 PRO C C 13 177.268 0.30 . . . . . . A 29 PRO C . 36244 1 353 . 1 . 1 30 30 PRO CA C 13 63.024 0.30 . . . . . . A 29 PRO CA . 36244 1 354 . 1 . 1 30 30 PRO CB C 13 32.343 0.30 . . . . . . A 29 PRO CB . 36244 1 355 . 1 . 1 30 30 PRO CG C 13 27.778 0.30 . . . . . . A 29 PRO CG . 36244 1 356 . 1 . 1 30 30 PRO CD C 13 50.841 0.30 . . . . . . A 29 PRO CD . 36244 1 357 . 1 . 1 31 31 LEU H H 1 9.669 0.03 . . . . . . A 30 LEU H . 36244 1 358 . 1 . 1 31 31 LEU HA H 1 3.904 0.03 . . . . . . A 30 LEU HA . 36244 1 359 . 1 . 1 31 31 LEU HB2 H 1 1.587 0.03 . . . . . . A 30 LEU HB2 . 36244 1 360 . 1 . 1 31 31 LEU HB3 H 1 1.558 0.03 . . . . . . A 30 LEU HB3 . 36244 1 361 . 1 . 1 31 31 LEU HG H 1 1.714 0.03 . . . . . . A 30 LEU HG . 36244 1 362 . 1 . 1 31 31 LEU HD11 H 1 0.705 0.03 . . . . . . A 30 LEU HD11 . 36244 1 363 . 1 . 1 31 31 LEU HD12 H 1 0.705 0.03 . . . . . . A 30 LEU HD12 . 36244 1 364 . 1 . 1 31 31 LEU HD13 H 1 0.705 0.03 . . . . . . A 30 LEU HD13 . 36244 1 365 . 1 . 1 31 31 LEU HD21 H 1 0.737 0.03 . . . . . . A 30 LEU HD21 . 36244 1 366 . 1 . 1 31 31 LEU HD22 H 1 0.737 0.03 . . . . . . A 30 LEU HD22 . 36244 1 367 . 1 . 1 31 31 LEU HD23 H 1 0.737 0.03 . . . . . . A 30 LEU HD23 . 36244 1 368 . 1 . 1 31 31 LEU C C 13 178.748 0.30 . . . . . . A 30 LEU C . 36244 1 369 . 1 . 1 31 31 LEU CA C 13 58.154 0.30 . . . . . . A 30 LEU CA . 36244 1 370 . 1 . 1 31 31 LEU CB C 13 41.676 0.30 . . . . . . A 30 LEU CB . 36244 1 371 . 1 . 1 31 31 LEU CG C 13 26.947 0.30 . . . . . . A 30 LEU CG . 36244 1 372 . 1 . 1 31 31 LEU CD1 C 13 23.653 0.30 . . . . . . A 30 LEU CD1 . 36244 1 373 . 1 . 1 31 31 LEU CD2 C 13 24.205 0.30 . . . . . . A 30 LEU CD2 . 36244 1 374 . 1 . 1 31 31 LEU N N 15 126.517 0.30 . . . . . . A 30 LEU N . 36244 1 375 . 1 . 1 32 32 SER H H 1 8.660 0.03 . . . . . . A 31 SER H . 36244 1 376 . 1 . 1 32 32 SER HA H 1 4.111 0.03 . . . . . . A 31 SER HA . 36244 1 377 . 1 . 1 32 32 SER HB2 H 1 3.991 0.03 . . . . . . A 31 SER HB2 . 36244 1 378 . 1 . 1 32 32 SER HB3 H 1 3.951 0.03 . . . . . . A 31 SER HB3 . 36244 1 379 . 1 . 1 32 32 SER C C 13 176.346 0.30 . . . . . . A 31 SER C . 36244 1 380 . 1 . 1 32 32 SER CA C 13 61.202 0.30 . . . . . . A 31 SER CA . 36244 1 381 . 1 . 1 32 32 SER CB C 13 62.078 0.30 . . . . . . A 31 SER CB . 36244 1 382 . 1 . 1 32 32 SER N N 15 111.769 0.30 . . . . . . A 31 SER N . 36244 1 383 . 1 . 1 33 33 ALA H H 1 7.125 0.03 . . . . . . A 32 ALA H . 36244 1 384 . 1 . 1 33 33 ALA HA H 1 4.147 0.03 . . . . . . A 32 ALA HA . 36244 1 385 . 1 . 1 33 33 ALA HB1 H 1 1.519 0.03 . . . . . . A 32 ALA HB1 . 36244 1 386 . 1 . 1 33 33 ALA HB2 H 1 1.519 0.03 . . . . . . A 32 ALA HB2 . 36244 1 387 . 1 . 1 33 33 ALA HB3 H 1 1.519 0.03 . . . . . . A 32 ALA HB3 . 36244 1 388 . 1 . 1 33 33 ALA C C 13 180.305 0.30 . . . . . . A 32 ALA C . 36244 1 389 . 1 . 1 33 33 ALA CA C 13 54.378 0.30 . . . . . . A 32 ALA CA . 36244 1 390 . 1 . 1 33 33 ALA CB C 13 18.649 0.30 . . . . . . A 32 ALA CB . 36244 1 391 . 1 . 1 33 33 ALA N N 15 123.969 0.30 . . . . . . A 32 ALA N . 36244 1 392 . 1 . 1 34 34 ILE H H 1 7.541 0.03 . . . . . . A 33 ILE H . 36244 1 393 . 1 . 1 34 34 ILE HA H 1 3.672 0.03 . . . . . . A 33 ILE HA . 36244 1 394 . 1 . 1 34 34 ILE HB H 1 2.111 0.03 . . . . . . A 33 ILE HB . 36244 1 395 . 1 . 1 34 34 ILE HG12 H 1 1.460 0.03 . . . . . . A 33 ILE HG12 . 36244 1 396 . 1 . 1 34 34 ILE HG13 H 1 1.291 0.03 . . . . . . A 33 ILE HG13 . 36244 1 397 . 1 . 1 34 34 ILE HG21 H 1 0.688 0.03 . . . . . . A 33 ILE HG21 . 36244 1 398 . 1 . 1 34 34 ILE HG22 H 1 0.688 0.03 . . . . . . A 33 ILE HG22 . 36244 1 399 . 1 . 1 34 34 ILE HG23 H 1 0.688 0.03 . . . . . . A 33 ILE HG23 . 36244 1 400 . 1 . 1 34 34 ILE HD11 H 1 0.845 0.03 . . . . . . A 33 ILE HD11 . 36244 1 401 . 1 . 1 34 34 ILE HD12 H 1 0.845 0.03 . . . . . . A 33 ILE HD12 . 36244 1 402 . 1 . 1 34 34 ILE HD13 H 1 0.845 0.03 . . . . . . A 33 ILE HD13 . 36244 1 403 . 1 . 1 34 34 ILE C C 13 177.512 0.30 . . . . . . A 33 ILE C . 36244 1 404 . 1 . 1 34 34 ILE CA C 13 63.954 0.30 . . . . . . A 33 ILE CA . 36244 1 405 . 1 . 1 34 34 ILE CB C 13 37.451 0.30 . . . . . . A 33 ILE CB . 36244 1 406 . 1 . 1 34 34 ILE CG1 C 13 28.313 0.30 . . . . . . A 33 ILE CG1 . 36244 1 407 . 1 . 1 34 34 ILE CG2 C 13 16.560 0.30 . . . . . . A 33 ILE CG2 . 36244 1 408 . 1 . 1 34 34 ILE CD1 C 13 13.451 0.30 . . . . . . A 33 ILE CD1 . 36244 1 409 . 1 . 1 34 34 ILE N N 15 121.366 0.30 . . . . . . A 33 ILE N . 36244 1 410 . 1 . 1 35 35 ILE H H 1 8.601 0.03 . . . . . . A 34 ILE H . 36244 1 411 . 1 . 1 35 35 ILE HA H 1 3.335 0.03 . . . . . . A 34 ILE HA . 36244 1 412 . 1 . 1 35 35 ILE HB H 1 1.873 0.03 . . . . . . A 34 ILE HB . 36244 1 413 . 1 . 1 35 35 ILE HG12 H 1 1.722 0.03 . . . . . . A 34 ILE HG12 . 36244 1 414 . 1 . 1 35 35 ILE HG13 H 1 0.765 0.03 . . . . . . A 34 ILE HG13 . 36244 1 415 . 1 . 1 35 35 ILE HG21 H 1 0.979 0.03 . . . . . . A 34 ILE HG21 . 36244 1 416 . 1 . 1 35 35 ILE HG22 H 1 0.979 0.03 . . . . . . A 34 ILE HG22 . 36244 1 417 . 1 . 1 35 35 ILE HG23 H 1 0.979 0.03 . . . . . . A 34 ILE HG23 . 36244 1 418 . 1 . 1 35 35 ILE HD11 H 1 0.906 0.03 . . . . . . A 34 ILE HD11 . 36244 1 419 . 1 . 1 35 35 ILE HD12 H 1 0.906 0.03 . . . . . . A 34 ILE HD12 . 36244 1 420 . 1 . 1 35 35 ILE HD13 H 1 0.906 0.03 . . . . . . A 34 ILE HD13 . 36244 1 421 . 1 . 1 35 35 ILE C C 13 177.806 0.30 . . . . . . A 34 ILE C . 36244 1 422 . 1 . 1 35 35 ILE CA C 13 65.834 0.30 . . . . . . A 34 ILE CA . 36244 1 423 . 1 . 1 35 35 ILE CB C 13 37.711 0.30 . . . . . . A 34 ILE CB . 36244 1 424 . 1 . 1 35 35 ILE CG1 C 13 30.761 0.30 . . . . . . A 34 ILE CG1 . 36244 1 425 . 1 . 1 35 35 ILE CG2 C 13 19.202 0.30 . . . . . . A 34 ILE CG2 . 36244 1 426 . 1 . 1 35 35 ILE CD1 C 13 13.380 0.30 . . . . . . A 34 ILE CD1 . 36244 1 427 . 1 . 1 35 35 ILE N N 15 119.383 0.30 . . . . . . A 34 ILE N . 36244 1 428 . 1 . 1 36 36 LYS H H 1 7.701 0.03 . . . . . . A 35 LYS H . 36244 1 429 . 1 . 1 36 36 LYS HA H 1 3.435 0.03 . . . . . . A 35 LYS HA . 36244 1 430 . 1 . 1 36 36 LYS HB2 H 1 1.625 0.03 . . . . . . A 35 LYS HB2 . 36244 1 431 . 1 . 1 36 36 LYS HB3 H 1 0.987 0.03 . . . . . . A 35 LYS HB3 . 36244 1 432 . 1 . 1 36 36 LYS HG2 H 1 1.083 0.03 . . . . . . A 35 LYS HG2 . 36244 1 433 . 1 . 1 36 36 LYS HG3 H 1 0.759 0.03 . . . . . . A 35 LYS HG3 . 36244 1 434 . 1 . 1 36 36 LYS HD2 H 1 1.225 0.03 . . . . . . A 35 LYS HD2 . 36244 1 435 . 1 . 1 36 36 LYS HD3 H 1 1.225 0.03 . . . . . . A 35 LYS HD3 . 36244 1 436 . 1 . 1 36 36 LYS HE2 H 1 2.884 0.03 . . . . . . A 35 LYS HE2 . 36244 1 437 . 1 . 1 36 36 LYS HE3 H 1 2.884 0.03 . . . . . . A 35 LYS HE3 . 36244 1 438 . 1 . 1 36 36 LYS C C 13 177.103 0.30 . . . . . . A 35 LYS C . 36244 1 439 . 1 . 1 36 36 LYS CA C 13 60.719 0.30 . . . . . . A 35 LYS CA . 36244 1 440 . 1 . 1 36 36 LYS CB C 13 31.968 0.30 . . . . . . A 35 LYS CB . 36244 1 441 . 1 . 1 36 36 LYS CG C 13 24.866 0.30 . . . . . . A 35 LYS CG . 36244 1 442 . 1 . 1 36 36 LYS CD C 13 28.762 0.30 . . . . . . A 35 LYS CD . 36244 1 443 . 1 . 1 36 36 LYS CE C 13 42.463 0.30 . . . . . . A 35 LYS CE . 36244 1 444 . 1 . 1 36 36 LYS N N 15 120.101 0.30 . . . . . . A 35 LYS N . 36244 1 445 . 1 . 1 37 37 GLU H H 1 7.495 0.03 . . . . . . A 36 GLU H . 36244 1 446 . 1 . 1 37 37 GLU HA H 1 3.913 0.03 . . . . . . A 36 GLU HA . 36244 1 447 . 1 . 1 37 37 GLU HB2 H 1 2.110 0.03 . . . . . . A 36 GLU HB2 . 36244 1 448 . 1 . 1 37 37 GLU HB3 H 1 1.963 0.03 . . . . . . A 36 GLU HB3 . 36244 1 449 . 1 . 1 37 37 GLU HG2 H 1 2.348 0.03 . . . . . . A 36 GLU HG2 . 36244 1 450 . 1 . 1 37 37 GLU HG3 H 1 2.059 0.03 . . . . . . A 36 GLU HG3 . 36244 1 451 . 1 . 1 37 37 GLU C C 13 180.366 0.30 . . . . . . A 36 GLU C . 36244 1 452 . 1 . 1 37 37 GLU CA C 13 59.710 0.30 . . . . . . A 36 GLU CA . 36244 1 453 . 1 . 1 37 37 GLU CB C 13 29.331 0.30 . . . . . . A 36 GLU CB . 36244 1 454 . 1 . 1 37 37 GLU CG C 13 36.191 0.30 . . . . . . A 36 GLU CG . 36244 1 455 . 1 . 1 37 37 GLU N N 15 118.220 0.30 . . . . . . A 36 GLU N . 36244 1 456 . 1 . 1 38 38 VAL H H 1 8.219 0.03 . . . . . . A 37 VAL H . 36244 1 457 . 1 . 1 38 38 VAL HA H 1 3.207 0.03 . . . . . . A 37 VAL HA . 36244 1 458 . 1 . 1 38 38 VAL HB H 1 2.017 0.03 . . . . . . A 37 VAL HB . 36244 1 459 . 1 . 1 38 38 VAL HG11 H 1 0.705 0.03 . . . . . . A 37 VAL HG11 . 36244 1 460 . 1 . 1 38 38 VAL HG12 H 1 0.705 0.03 . . . . . . A 37 VAL HG12 . 36244 1 461 . 1 . 1 38 38 VAL HG13 H 1 0.705 0.03 . . . . . . A 37 VAL HG13 . 36244 1 462 . 1 . 1 38 38 VAL HG21 H 1 0.851 0.03 . . . . . . A 37 VAL HG21 . 36244 1 463 . 1 . 1 38 38 VAL HG22 H 1 0.851 0.03 . . . . . . A 37 VAL HG22 . 36244 1 464 . 1 . 1 38 38 VAL HG23 H 1 0.851 0.03 . . . . . . A 37 VAL HG23 . 36244 1 465 . 1 . 1 38 38 VAL C C 13 178.688 0.30 . . . . . . A 37 VAL C . 36244 1 466 . 1 . 1 38 38 VAL CA C 13 65.905 0.30 . . . . . . A 37 VAL CA . 36244 1 467 . 1 . 1 38 38 VAL CB C 13 31.524 0.30 . . . . . . A 37 VAL CB . 36244 1 468 . 1 . 1 38 38 VAL CG1 C 13 23.704 0.30 . . . . . . A 37 VAL CG1 . 36244 1 469 . 1 . 1 38 38 VAL CG2 C 13 22.864 0.30 . . . . . . A 37 VAL CG2 . 36244 1 470 . 1 . 1 38 38 VAL N N 15 120.244 0.30 . . . . . . A 37 VAL N . 36244 1 471 . 1 . 1 39 39 CYS H H 1 8.596 0.03 . . . . . . A 38 CYS H . 36244 1 472 . 1 . 1 39 39 CYS HA H 1 3.681 0.03 . . . . . . A 38 CYS HA . 36244 1 473 . 1 . 1 39 39 CYS HB2 H 1 3.031 0.03 . . . . . . A 38 CYS HB2 . 36244 1 474 . 1 . 1 39 39 CYS HB3 H 1 2.792 0.03 . . . . . . A 38 CYS HB3 . 36244 1 475 . 1 . 1 39 39 CYS C C 13 177.825 0.30 . . . . . . A 38 CYS C . 36244 1 476 . 1 . 1 39 39 CYS CA C 13 65.365 0.30 . . . . . . A 38 CYS CA . 36244 1 477 . 1 . 1 39 39 CYS CB C 13 26.187 0.30 . . . . . . A 38 CYS CB . 36244 1 478 . 1 . 1 39 39 CYS N N 15 118.958 0.30 . . . . . . A 38 CYS N . 36244 1 479 . 1 . 1 40 40 ASP H H 1 8.999 0.03 . . . . . . A 39 ASP H . 36244 1 480 . 1 . 1 40 40 ASP HA H 1 4.338 0.03 . . . . . . A 39 ASP HA . 36244 1 481 . 1 . 1 40 40 ASP HB2 H 1 2.675 0.03 . . . . . . A 39 ASP HB2 . 36244 1 482 . 1 . 1 40 40 ASP HB3 H 1 2.521 0.03 . . . . . . A 39 ASP HB3 . 36244 1 483 . 1 . 1 40 40 ASP C C 13 180.546 0.30 . . . . . . A 39 ASP C . 36244 1 484 . 1 . 1 40 40 ASP CA C 13 57.273 0.30 . . . . . . A 39 ASP CA . 36244 1 485 . 1 . 1 40 40 ASP CB C 13 39.675 0.30 . . . . . . A 39 ASP CB . 36244 1 486 . 1 . 1 40 40 ASP N N 15 121.349 0.30 . . . . . . A 39 ASP N . 36244 1 487 . 1 . 1 41 41 GLY H H 1 7.584 0.03 . . . . . . A 40 GLY H . 36244 1 488 . 1 . 1 41 41 GLY HA2 H 1 3.817 0.03 . . . . . . A 40 GLY HA2 . 36244 1 489 . 1 . 1 41 41 GLY HA3 H 1 3.607 0.03 . . . . . . A 40 GLY HA3 . 36244 1 490 . 1 . 1 41 41 GLY C C 13 174.893 0.30 . . . . . . A 40 GLY C . 36244 1 491 . 1 . 1 41 41 GLY CA C 13 46.754 0.30 . . . . . . A 40 GLY CA . 36244 1 492 . 1 . 1 41 41 GLY N N 15 107.233 0.30 . . . . . . A 40 GLY N . 36244 1 493 . 1 . 1 42 42 TRP H H 1 7.172 0.03 . . . . . . A 41 TRP H . 36244 1 494 . 1 . 1 42 42 TRP HA H 1 5.070 0.03 . . . . . . A 41 TRP HA . 36244 1 495 . 1 . 1 42 42 TRP HB2 H 1 3.257 0.03 . . . . . . A 41 TRP HB2 . 36244 1 496 . 1 . 1 42 42 TRP HB3 H 1 2.520 0.03 . . . . . . A 41 TRP HB3 . 36244 1 497 . 1 . 1 42 42 TRP HD1 H 1 7.296 0.03 . . . . . . A 41 TRP HD1 . 36244 1 498 . 1 . 1 42 42 TRP HE1 H 1 10.123 0.03 . . . . . . A 41 TRP HE1 . 36244 1 499 . 1 . 1 42 42 TRP HE3 H 1 6.732 0.03 . . . . . . A 41 TRP HE3 . 36244 1 500 . 1 . 1 42 42 TRP HZ2 H 1 7.703 0.03 . . . . . . A 41 TRP HZ2 . 36244 1 501 . 1 . 1 42 42 TRP HZ3 H 1 6.603 0.03 . . . . . . A 41 TRP HZ3 . 36244 1 502 . 1 . 1 42 42 TRP HH2 H 1 7.048 0.03 . . . . . . A 41 TRP HH2 . 36244 1 503 . 1 . 1 42 42 TRP C C 13 174.260 0.30 . . . . . . A 41 TRP C . 36244 1 504 . 1 . 1 42 42 TRP CA C 13 56.325 0.30 . . . . . . A 41 TRP CA . 36244 1 505 . 1 . 1 42 42 TRP CB C 13 29.081 0.30 . . . . . . A 41 TRP CB . 36244 1 506 . 1 . 1 42 42 TRP CD1 C 13 124.158 0.30 . . . . . . A 41 TRP CD1 . 36244 1 507 . 1 . 1 42 42 TRP CE3 C 13 120.289 0.30 . . . . . . A 41 TRP CE3 . 36244 1 508 . 1 . 1 42 42 TRP CZ2 C 13 114.937 0.30 . . . . . . A 41 TRP CZ2 . 36244 1 509 . 1 . 1 42 42 TRP CZ3 C 13 122.051 0.30 . . . . . . A 41 TRP CZ3 . 36244 1 510 . 1 . 1 42 42 TRP CH2 C 13 124.547 0.30 . . . . . . A 41 TRP CH2 . 36244 1 511 . 1 . 1 42 42 TRP N N 15 120.576 0.30 . . . . . . A 41 TRP N . 36244 1 512 . 1 . 1 42 42 TRP NE1 N 15 127.796 0.30 . . . . . . A 41 TRP NE1 . 36244 1 513 . 1 . 1 43 43 SER H H 1 7.819 0.03 . . . . . . A 42 SER H . 36244 1 514 . 1 . 1 43 43 SER HA H 1 4.010 0.03 . . . . . . A 42 SER HA . 36244 1 515 . 1 . 1 43 43 SER HB2 H 1 4.141 0.03 . . . . . . A 42 SER HB2 . 36244 1 516 . 1 . 1 43 43 SER HB3 H 1 4.068 0.03 . . . . . . A 42 SER HB3 . 36244 1 517 . 1 . 1 43 43 SER C C 13 173.998 0.30 . . . . . . A 42 SER C . 36244 1 518 . 1 . 1 43 43 SER CA C 13 59.111 0.30 . . . . . . A 42 SER CA . 36244 1 519 . 1 . 1 43 43 SER CB C 13 61.317 0.30 . . . . . . A 42 SER CB . 36244 1 520 . 1 . 1 43 43 SER N N 15 112.490 0.30 . . . . . . A 42 SER N . 36244 1 521 . 1 . 1 44 44 LEU H H 1 8.114 0.03 . . . . . . A 43 LEU H . 36244 1 522 . 1 . 1 44 44 LEU HA H 1 4.458 0.03 . . . . . . A 43 LEU HA . 36244 1 523 . 1 . 1 44 44 LEU HB2 H 1 1.170 0.03 . . . . . . A 43 LEU HB2 . 36244 1 524 . 1 . 1 44 44 LEU HB3 H 1 1.029 0.03 . . . . . . A 43 LEU HB3 . 36244 1 525 . 1 . 1 44 44 LEU HG H 1 1.280 0.03 . . . . . . A 43 LEU HG . 36244 1 526 . 1 . 1 44 44 LEU HD11 H 1 -0.257 0.03 . . . . . . A 43 LEU HD11 . 36244 1 527 . 1 . 1 44 44 LEU HD12 H 1 -0.257 0.03 . . . . . . A 43 LEU HD12 . 36244 1 528 . 1 . 1 44 44 LEU HD13 H 1 -0.257 0.03 . . . . . . A 43 LEU HD13 . 36244 1 529 . 1 . 1 44 44 LEU HD21 H 1 0.730 0.03 . . . . . . A 43 LEU HD21 . 36244 1 530 . 1 . 1 44 44 LEU HD22 H 1 0.730 0.03 . . . . . . A 43 LEU HD22 . 36244 1 531 . 1 . 1 44 44 LEU HD23 H 1 0.730 0.03 . . . . . . A 43 LEU HD23 . 36244 1 532 . 1 . 1 44 44 LEU C C 13 176.273 0.30 . . . . . . A 43 LEU C . 36244 1 533 . 1 . 1 44 44 LEU CA C 13 53.266 0.30 . . . . . . A 43 LEU CA . 36244 1 534 . 1 . 1 44 44 LEU CB C 13 42.028 0.30 . . . . . . A 43 LEU CB . 36244 1 535 . 1 . 1 44 44 LEU CG C 13 25.956 0.30 . . . . . . A 43 LEU CG . 36244 1 536 . 1 . 1 44 44 LEU CD1 C 13 25.080 0.30 . . . . . . A 43 LEU CD1 . 36244 1 537 . 1 . 1 44 44 LEU CD2 C 13 22.384 0.30 . . . . . . A 43 LEU CD2 . 36244 1 538 . 1 . 1 44 44 LEU N N 15 120.329 0.30 . . . . . . A 43 LEU N . 36244 1 539 . 1 . 1 45 45 ALA H H 1 8.300 0.03 . . . . . . A 44 ALA H . 36244 1 540 . 1 . 1 45 45 ALA HA H 1 4.305 0.03 . . . . . . A 44 ALA HA . 36244 1 541 . 1 . 1 45 45 ALA HB1 H 1 1.414 0.03 . . . . . . A 44 ALA HB1 . 36244 1 542 . 1 . 1 45 45 ALA HB2 H 1 1.414 0.03 . . . . . . A 44 ALA HB2 . 36244 1 543 . 1 . 1 45 45 ALA HB3 H 1 1.414 0.03 . . . . . . A 44 ALA HB3 . 36244 1 544 . 1 . 1 45 45 ALA C C 13 176.868 0.30 . . . . . . A 44 ALA C . 36244 1 545 . 1 . 1 45 45 ALA CA C 13 51.967 0.30 . . . . . . A 44 ALA CA . 36244 1 546 . 1 . 1 45 45 ALA CB C 13 20.150 0.30 . . . . . . A 44 ALA CB . 36244 1 547 . 1 . 1 45 45 ALA N N 15 126.025 0.30 . . . . . . A 44 ALA N . 36244 1 548 . 1 . 1 46 46 ASN H H 1 8.603 0.03 . . . . . . A 45 ASN H . 36244 1 549 . 1 . 1 46 46 ASN HA H 1 4.515 0.03 . . . . . . A 45 ASN HA . 36244 1 550 . 1 . 1 46 46 ASN HB2 H 1 2.880 0.03 . . . . . . A 45 ASN HB2 . 36244 1 551 . 1 . 1 46 46 ASN HB3 H 1 2.411 0.03 . . . . . . A 45 ASN HB3 . 36244 1 552 . 1 . 1 46 46 ASN HD21 H 1 7.555 0.03 . . . . . . A 45 ASN HD21 . 36244 1 553 . 1 . 1 46 46 ASN HD22 H 1 6.849 0.03 . . . . . . A 45 ASN HD22 . 36244 1 554 . 1 . 1 46 46 ASN C C 13 175.433 0.30 . . . . . . A 45 ASN C . 36244 1 555 . 1 . 1 46 46 ASN CA C 13 53.718 0.30 . . . . . . A 45 ASN CA . 36244 1 556 . 1 . 1 46 46 ASN CB C 13 37.085 0.30 . . . . . . A 45 ASN CB . 36244 1 557 . 1 . 1 46 46 ASN N N 15 113.225 0.30 . . . . . . A 45 ASN N . 36244 1 558 . 1 . 1 46 46 ASN ND2 N 15 113.317 0.30 . . . . . . A 45 ASN ND2 . 36244 1 559 . 1 . 1 47 47 HIS H H 1 7.902 0.03 . . . . . . A 46 HIS H . 36244 1 560 . 1 . 1 47 47 HIS HA H 1 4.638 0.03 . . . . . . A 46 HIS HA . 36244 1 561 . 1 . 1 47 47 HIS HB2 H 1 3.129 0.03 . . . . . . A 46 HIS HB2 . 36244 1 562 . 1 . 1 47 47 HIS HB3 H 1 3.062 0.03 . . . . . . A 46 HIS HB3 . 36244 1 563 . 1 . 1 47 47 HIS HD2 H 1 7.018 0.03 . . . . . . A 46 HIS HD2 . 36244 1 564 . 1 . 1 47 47 HIS HE1 H 1 7.751 0.03 . . . . . . A 46 HIS HE1 . 36244 1 565 . 1 . 1 47 47 HIS C C 13 176.218 0.30 . . . . . . A 46 HIS C . 36244 1 566 . 1 . 1 47 47 HIS CA C 13 59.273 0.30 . . . . . . A 46 HIS CA . 36244 1 567 . 1 . 1 47 47 HIS CB C 13 30.254 0.30 . . . . . . A 46 HIS CB . 36244 1 568 . 1 . 1 47 47 HIS CD2 C 13 121.513 0.30 . . . . . . A 46 HIS CD2 . 36244 1 569 . 1 . 1 47 47 HIS CE1 C 13 138.877 0.30 . . . . . . A 46 HIS CE1 . 36244 1 570 . 1 . 1 47 47 HIS N N 15 117.148 0.30 . . . . . . A 46 HIS N . 36244 1 571 . 1 . 1 48 48 GLU H H 1 8.787 0.03 . . . . . . A 47 GLU H . 36244 1 572 . 1 . 1 48 48 GLU HA H 1 3.977 0.03 . . . . . . A 47 GLU HA . 36244 1 573 . 1 . 1 48 48 GLU HB2 H 1 1.691 0.03 . . . . . . A 47 GLU HB2 . 36244 1 574 . 1 . 1 48 48 GLU HB3 H 1 1.617 0.03 . . . . . . A 47 GLU HB3 . 36244 1 575 . 1 . 1 48 48 GLU HG2 H 1 1.792 0.03 . . . . . . A 47 GLU HG2 . 36244 1 576 . 1 . 1 48 48 GLU HG3 H 1 1.792 0.03 . . . . . . A 47 GLU HG3 . 36244 1 577 . 1 . 1 48 48 GLU C C 13 177.244 0.30 . . . . . . A 47 GLU C . 36244 1 578 . 1 . 1 48 48 GLU CA C 13 58.415 0.30 . . . . . . A 47 GLU CA . 36244 1 579 . 1 . 1 48 48 GLU CB C 13 28.291 0.30 . . . . . . A 47 GLU CB . 36244 1 580 . 1 . 1 48 48 GLU CG C 13 35.925 0.30 . . . . . . A 47 GLU CG . 36244 1 581 . 1 . 1 48 48 GLU N N 15 119.697 0.30 . . . . . . A 47 GLU N . 36244 1 582 . 1 . 1 49 49 TYR H H 1 8.090 0.03 . . . . . . A 48 TYR H . 36244 1 583 . 1 . 1 49 49 TYR HA H 1 4.511 0.03 . . . . . . A 48 TYR HA . 36244 1 584 . 1 . 1 49 49 TYR HB2 H 1 3.052 0.03 . . . . . . A 48 TYR HB2 . 36244 1 585 . 1 . 1 49 49 TYR HB3 H 1 2.766 0.03 . . . . . . A 48 TYR HB3 . 36244 1 586 . 1 . 1 49 49 TYR HD1 H 1 6.886 0.03 . . . . . . A 48 TYR HD1 . 36244 1 587 . 1 . 1 49 49 TYR HD2 H 1 6.886 0.03 . . . . . . A 48 TYR HD2 . 36244 1 588 . 1 . 1 49 49 TYR HE1 H 1 6.723 0.03 . . . . . . A 48 TYR HE1 . 36244 1 589 . 1 . 1 49 49 TYR HE2 H 1 6.723 0.03 . . . . . . A 48 TYR HE2 . 36244 1 590 . 1 . 1 49 49 TYR C C 13 175.358 0.30 . . . . . . A 48 TYR C . 36244 1 591 . 1 . 1 49 49 TYR CA C 13 56.933 0.30 . . . . . . A 48 TYR CA . 36244 1 592 . 1 . 1 49 49 TYR CB C 13 37.364 0.30 . . . . . . A 48 TYR CB . 36244 1 593 . 1 . 1 49 49 TYR CD1 C 13 132.184 0.30 . . . . . . A 48 TYR CD1 . 36244 1 594 . 1 . 1 49 49 TYR CD2 C 13 132.184 0.30 . . . . . . A 48 TYR CD2 . 36244 1 595 . 1 . 1 49 49 TYR CE1 C 13 118.108 0.30 . . . . . . A 48 TYR CE1 . 36244 1 596 . 1 . 1 49 49 TYR CE2 C 13 118.108 0.30 . . . . . . A 48 TYR CE2 . 36244 1 597 . 1 . 1 49 49 TYR N N 15 118.220 0.30 . . . . . . A 48 TYR N . 36244 1 598 . 1 . 1 50 50 PHE H H 1 7.810 0.03 . . . . . . A 49 PHE H . 36244 1 599 . 1 . 1 50 50 PHE HA H 1 5.211 0.03 . . . . . . A 49 PHE HA . 36244 1 600 . 1 . 1 50 50 PHE HB2 H 1 2.989 0.03 . . . . . . A 49 PHE HB2 . 36244 1 601 . 1 . 1 50 50 PHE HB3 H 1 2.878 0.03 . . . . . . A 49 PHE HB3 . 36244 1 602 . 1 . 1 50 50 PHE HD1 H 1 7.162 0.03 . . . . . . A 49 PHE HD1 . 36244 1 603 . 1 . 1 50 50 PHE HD2 H 1 7.162 0.03 . . . . . . A 49 PHE HD2 . 36244 1 604 . 1 . 1 50 50 PHE HE1 H 1 7.290 0.03 . . . . . . A 49 PHE HE1 . 36244 1 605 . 1 . 1 50 50 PHE HE2 H 1 7.290 0.03 . . . . . . A 49 PHE HE2 . 36244 1 606 . 1 . 1 50 50 PHE HZ H 1 7.250 0.03 . . . . . . A 49 PHE HZ . 36244 1 607 . 1 . 1 50 50 PHE C C 13 174.289 0.30 . . . . . . A 49 PHE C . 36244 1 608 . 1 . 1 50 50 PHE CA C 13 58.085 0.30 . . . . . . A 49 PHE CA . 36244 1 609 . 1 . 1 50 50 PHE CB C 13 42.588 0.30 . . . . . . A 49 PHE CB . 36244 1 610 . 1 . 1 50 50 PHE CD1 C 13 132.374 0.30 . . . . . . A 49 PHE CD1 . 36244 1 611 . 1 . 1 50 50 PHE CD2 C 13 132.374 0.30 . . . . . . A 49 PHE CD2 . 36244 1 612 . 1 . 1 50 50 PHE CE1 C 13 131.425 0.30 . . . . . . A 49 PHE CE1 . 36244 1 613 . 1 . 1 50 50 PHE CE2 C 13 131.425 0.30 . . . . . . A 49 PHE CE2 . 36244 1 614 . 1 . 1 50 50 PHE CZ C 13 129.785 0.30 . . . . . . A 49 PHE CZ . 36244 1 615 . 1 . 1 50 50 PHE N N 15 119.187 0.30 . . . . . . A 49 PHE N . 36244 1 616 . 1 . 1 51 51 ALA H H 1 9.272 0.03 . . . . . . A 50 ALA H . 36244 1 617 . 1 . 1 51 51 ALA HA H 1 4.651 0.03 . . . . . . A 50 ALA HA . 36244 1 618 . 1 . 1 51 51 ALA HB1 H 1 1.463 0.03 . . . . . . A 50 ALA HB1 . 36244 1 619 . 1 . 1 51 51 ALA HB2 H 1 1.463 0.03 . . . . . . A 50 ALA HB2 . 36244 1 620 . 1 . 1 51 51 ALA HB3 H 1 1.463 0.03 . . . . . . A 50 ALA HB3 . 36244 1 621 . 1 . 1 51 51 ALA C C 13 174.846 0.30 . . . . . . A 50 ALA C . 36244 1 622 . 1 . 1 51 51 ALA CA C 13 50.824 0.30 . . . . . . A 50 ALA CA . 36244 1 623 . 1 . 1 51 51 ALA CB C 13 23.758 0.30 . . . . . . A 50 ALA CB . 36244 1 624 . 1 . 1 51 51 ALA N N 15 121.665 0.30 . . . . . . A 50 ALA N . 36244 1 625 . 1 . 1 52 52 LEU H H 1 9.349 0.03 . . . . . . A 51 LEU H . 36244 1 626 . 1 . 1 52 52 LEU HA H 1 5.432 0.03 . . . . . . A 51 LEU HA . 36244 1 627 . 1 . 1 52 52 LEU HB2 H 1 1.736 0.03 . . . . . . A 51 LEU HB2 . 36244 1 628 . 1 . 1 52 52 LEU HB3 H 1 1.161 0.03 . . . . . . A 51 LEU HB3 . 36244 1 629 . 1 . 1 52 52 LEU HG H 1 1.610 0.03 . . . . . . A 51 LEU HG . 36244 1 630 . 1 . 1 52 52 LEU HD11 H 1 0.676 0.03 . . . . . . A 51 LEU HD11 . 36244 1 631 . 1 . 1 52 52 LEU HD12 H 1 0.676 0.03 . . . . . . A 51 LEU HD12 . 36244 1 632 . 1 . 1 52 52 LEU HD13 H 1 0.676 0.03 . . . . . . A 51 LEU HD13 . 36244 1 633 . 1 . 1 52 52 LEU HD21 H 1 0.859 0.03 . . . . . . A 51 LEU HD21 . 36244 1 634 . 1 . 1 52 52 LEU HD22 H 1 0.859 0.03 . . . . . . A 51 LEU HD22 . 36244 1 635 . 1 . 1 52 52 LEU HD23 H 1 0.859 0.03 . . . . . . A 51 LEU HD23 . 36244 1 636 . 1 . 1 52 52 LEU C C 13 176.103 0.30 . . . . . . A 51 LEU C . 36244 1 637 . 1 . 1 52 52 LEU CA C 13 53.217 0.30 . . . . . . A 51 LEU CA . 36244 1 638 . 1 . 1 52 52 LEU CB C 13 44.892 0.30 . . . . . . A 51 LEU CB . 36244 1 639 . 1 . 1 52 52 LEU CG C 13 26.567 0.30 . . . . . . A 51 LEU CG . 36244 1 640 . 1 . 1 52 52 LEU CD1 C 13 24.866 0.30 . . . . . . A 51 LEU CD1 . 36244 1 641 . 1 . 1 52 52 LEU CD2 C 13 23.882 0.30 . . . . . . A 51 LEU CD2 . 36244 1 642 . 1 . 1 52 52 LEU N N 15 118.379 0.30 . . . . . . A 51 LEU N . 36244 1 643 . 1 . 1 53 53 GLN H H 1 8.985 0.03 . . . . . . A 52 GLN H . 36244 1 644 . 1 . 1 53 53 GLN HA H 1 4.976 0.03 . . . . . . A 52 GLN HA . 36244 1 645 . 1 . 1 53 53 GLN HB2 H 1 1.767 0.03 . . . . . . A 52 GLN HB2 . 36244 1 646 . 1 . 1 53 53 GLN HB3 H 1 1.580 0.03 . . . . . . A 52 GLN HB3 . 36244 1 647 . 1 . 1 53 53 GLN HG2 H 1 2.103 0.03 . . . . . . A 52 GLN HG2 . 36244 1 648 . 1 . 1 53 53 GLN HG3 H 1 1.680 0.03 . . . . . . A 52 GLN HG3 . 36244 1 649 . 1 . 1 53 53 GLN HE21 H 1 6.747 0.03 . . . . . . A 52 GLN HE21 . 36244 1 650 . 1 . 1 53 53 GLN HE22 H 1 6.003 0.03 . . . . . . A 52 GLN HE22 . 36244 1 651 . 1 . 1 53 53 GLN C C 13 175.259 0.30 . . . . . . A 52 GLN C . 36244 1 652 . 1 . 1 53 53 GLN CA C 13 53.466 0.30 . . . . . . A 52 GLN CA . 36244 1 653 . 1 . 1 53 53 GLN CB C 13 33.833 0.30 . . . . . . A 52 GLN CB . 36244 1 654 . 1 . 1 53 53 GLN CG C 13 33.584 0.30 . . . . . . A 52 GLN CG . 36244 1 655 . 1 . 1 53 53 GLN N N 15 119.474 0.30 . . . . . . A 52 GLN N . 36244 1 656 . 1 . 1 53 53 GLN NE2 N 15 110.182 0.30 . . . . . . A 52 GLN NE2 . 36244 1 657 . 1 . 1 54 54 HIS H H 1 8.729 0.03 . . . . . . A 53 HIS H . 36244 1 658 . 1 . 1 54 54 HIS HA H 1 4.306 0.03 . . . . . . A 53 HIS HA . 36244 1 659 . 1 . 1 54 54 HIS HB2 H 1 3.058 0.03 . . . . . . A 53 HIS HB2 . 36244 1 660 . 1 . 1 54 54 HIS HB3 H 1 2.827 0.03 . . . . . . A 53 HIS HB3 . 36244 1 661 . 1 . 1 54 54 HIS HD2 H 1 6.694 0.03 . . . . . . A 53 HIS HD2 . 36244 1 662 . 1 . 1 54 54 HIS HE1 H 1 7.692 0.03 . . . . . . A 53 HIS HE1 . 36244 1 663 . 1 . 1 54 54 HIS C C 13 176.151 0.30 . . . . . . A 53 HIS C . 36244 1 664 . 1 . 1 54 54 HIS CA C 13 58.899 0.30 . . . . . . A 53 HIS CA . 36244 1 665 . 1 . 1 54 54 HIS CB C 13 31.457 0.30 . . . . . . A 53 HIS CB . 36244 1 666 . 1 . 1 54 54 HIS CD2 C 13 119.026 0.30 . . . . . . A 53 HIS CD2 . 36244 1 667 . 1 . 1 54 54 HIS CE1 C 13 137.964 0.30 . . . . . . A 53 HIS CE1 . 36244 1 668 . 1 . 1 54 54 HIS N N 15 123.951 0.30 . . . . . . A 53 HIS N . 36244 1 669 . 1 . 1 55 55 ALA H H 1 8.295 0.03 . . . . . . A 54 ALA H . 36244 1 670 . 1 . 1 55 55 ALA HA H 1 4.318 0.03 . . . . . . A 54 ALA HA . 36244 1 671 . 1 . 1 55 55 ALA HB1 H 1 1.204 0.03 . . . . . . A 54 ALA HB1 . 36244 1 672 . 1 . 1 55 55 ALA HB2 H 1 1.204 0.03 . . . . . . A 54 ALA HB2 . 36244 1 673 . 1 . 1 55 55 ALA HB3 H 1 1.204 0.03 . . . . . . A 54 ALA HB3 . 36244 1 674 . 1 . 1 55 55 ALA C C 13 176.778 0.30 . . . . . . A 54 ALA C . 36244 1 675 . 1 . 1 55 55 ALA CA C 13 52.346 0.30 . . . . . . A 54 ALA CA . 36244 1 676 . 1 . 1 55 55 ALA CB C 13 18.469 0.30 . . . . . . A 54 ALA CB . 36244 1 677 . 1 . 1 55 55 ALA N N 15 126.166 0.30 . . . . . . A 54 ALA N . 36244 1 678 . 1 . 1 56 56 ASP H H 1 8.191 0.03 . . . . . . A 55 ASP H . 36244 1 679 . 1 . 1 56 56 ASP HA H 1 4.651 0.03 . . . . . . A 55 ASP HA . 36244 1 680 . 1 . 1 56 56 ASP HB2 H 1 2.961 0.03 . . . . . . A 55 ASP HB2 . 36244 1 681 . 1 . 1 56 56 ASP HB3 H 1 2.769 0.03 . . . . . . A 55 ASP HB3 . 36244 1 682 . 1 . 1 56 56 ASP C C 13 176.264 0.30 . . . . . . A 55 ASP C . 36244 1 683 . 1 . 1 56 56 ASP CA C 13 53.547 0.30 . . . . . . A 55 ASP CA . 36244 1 684 . 1 . 1 56 56 ASP CB C 13 41.203 0.30 . . . . . . A 55 ASP CB . 36244 1 685 . 1 . 1 56 56 ASP N N 15 118.589 0.30 . . . . . . A 55 ASP N . 36244 1 686 . 1 . 1 57 57 SER H H 1 8.028 0.03 . . . . . . A 56 SER H . 36244 1 687 . 1 . 1 57 57 SER HA H 1 4.359 0.03 . . . . . . A 56 SER HA . 36244 1 688 . 1 . 1 57 57 SER HB2 H 1 3.895 0.03 . . . . . . A 56 SER HB2 . 36244 1 689 . 1 . 1 57 57 SER HB3 H 1 3.895 0.03 . . . . . . A 56 SER HB3 . 36244 1 690 . 1 . 1 57 57 SER C C 13 174.695 0.30 . . . . . . A 56 SER C . 36244 1 691 . 1 . 1 57 57 SER CA C 13 59.139 0.30 . . . . . . A 56 SER CA . 36244 1 692 . 1 . 1 57 57 SER CB C 13 63.602 0.30 . . . . . . A 56 SER CB . 36244 1 693 . 1 . 1 57 57 SER N N 15 112.912 0.30 . . . . . . A 56 SER N . 36244 1 694 . 1 . 1 58 58 SER H H 1 8.348 0.03 . . . . . . A 57 SER H . 36244 1 695 . 1 . 1 58 58 SER HA H 1 4.153 0.03 . . . . . . A 57 SER HA . 36244 1 696 . 1 . 1 58 58 SER HB2 H 1 3.610 0.03 . . . . . . A 57 SER HB2 . 36244 1 697 . 1 . 1 58 58 SER HB3 H 1 3.401 0.03 . . . . . . A 57 SER HB3 . 36244 1 698 . 1 . 1 58 58 SER C C 13 174.654 0.30 . . . . . . A 57 SER C . 36244 1 699 . 1 . 1 58 58 SER CA C 13 59.486 0.30 . . . . . . A 57 SER CA . 36244 1 700 . 1 . 1 58 58 SER CB C 13 63.328 0.30 . . . . . . A 57 SER CB . 36244 1 701 . 1 . 1 58 58 SER N N 15 117.672 0.30 . . . . . . A 57 SER N . 36244 1 702 . 1 . 1 59 59 ASN H H 1 8.021 0.03 . . . . . . A 58 ASN H . 36244 1 703 . 1 . 1 59 59 ASN HA H 1 4.478 0.03 . . . . . . A 58 ASN HA . 36244 1 704 . 1 . 1 59 59 ASN HB2 H 1 2.815 0.03 . . . . . . A 58 ASN HB2 . 36244 1 705 . 1 . 1 59 59 ASN HB3 H 1 2.746 0.03 . . . . . . A 58 ASN HB3 . 36244 1 706 . 1 . 1 59 59 ASN HD21 H 1 7.378 0.03 . . . . . . A 58 ASN HD21 . 36244 1 707 . 1 . 1 59 59 ASN HD22 H 1 6.719 0.03 . . . . . . A 58 ASN HD22 . 36244 1 708 . 1 . 1 59 59 ASN C C 13 174.603 0.30 . . . . . . A 58 ASN C . 36244 1 709 . 1 . 1 59 59 ASN CA C 13 53.951 0.30 . . . . . . A 58 ASN CA . 36244 1 710 . 1 . 1 59 59 ASN CB C 13 38.345 0.30 . . . . . . A 58 ASN CB . 36244 1 711 . 1 . 1 59 59 ASN N N 15 116.726 0.30 . . . . . . A 58 ASN N . 36244 1 712 . 1 . 1 59 59 ASN ND2 N 15 112.262 0.30 . . . . . . A 58 ASN ND2 . 36244 1 713 . 1 . 1 60 60 PHE H H 1 7.851 0.03 . . . . . . A 59 PHE H . 36244 1 714 . 1 . 1 60 60 PHE HA H 1 4.796 0.03 . . . . . . A 59 PHE HA . 36244 1 715 . 1 . 1 60 60 PHE HB2 H 1 3.202 0.03 . . . . . . A 59 PHE HB2 . 36244 1 716 . 1 . 1 60 60 PHE HB3 H 1 2.947 0.03 . . . . . . A 59 PHE HB3 . 36244 1 717 . 1 . 1 60 60 PHE HD1 H 1 7.116 0.03 . . . . . . A 59 PHE HD1 . 36244 1 718 . 1 . 1 60 60 PHE HD2 H 1 7.116 0.03 . . . . . . A 59 PHE HD2 . 36244 1 719 . 1 . 1 60 60 PHE HE1 H 1 7.281 0.03 . . . . . . A 59 PHE HE1 . 36244 1 720 . 1 . 1 60 60 PHE HE2 H 1 7.281 0.03 . . . . . . A 59 PHE HE2 . 36244 1 721 . 1 . 1 60 60 PHE HZ H 1 7.222 0.03 . . . . . . A 59 PHE HZ . 36244 1 722 . 1 . 1 60 60 PHE C C 13 175.950 0.30 . . . . . . A 59 PHE C . 36244 1 723 . 1 . 1 60 60 PHE CA C 13 56.381 0.30 . . . . . . A 59 PHE CA . 36244 1 724 . 1 . 1 60 60 PHE CB C 13 38.835 0.30 . . . . . . A 59 PHE CB . 36244 1 725 . 1 . 1 60 60 PHE CD1 C 13 131.258 0.30 . . . . . . A 59 PHE CD1 . 36244 1 726 . 1 . 1 60 60 PHE CD2 C 13 131.258 0.30 . . . . . . A 59 PHE CD2 . 36244 1 727 . 1 . 1 60 60 PHE CE1 C 13 131.318 0.30 . . . . . . A 59 PHE CE1 . 36244 1 728 . 1 . 1 60 60 PHE CE2 C 13 131.318 0.30 . . . . . . A 59 PHE CE2 . 36244 1 729 . 1 . 1 60 60 PHE CZ C 13 129.805 0.30 . . . . . . A 59 PHE CZ . 36244 1 730 . 1 . 1 60 60 PHE N N 15 119.012 0.30 . . . . . . A 59 PHE N . 36244 1 731 . 1 . 1 61 61 TYR H H 1 8.472 0.03 . . . . . . A 60 TYR H . 36244 1 732 . 1 . 1 61 61 TYR HA H 1 4.727 0.03 . . . . . . A 60 TYR HA . 36244 1 733 . 1 . 1 61 61 TYR HB2 H 1 3.029 0.03 . . . . . . A 60 TYR HB2 . 36244 1 734 . 1 . 1 61 61 TYR HB3 H 1 2.781 0.03 . . . . . . A 60 TYR HB3 . 36244 1 735 . 1 . 1 61 61 TYR HD1 H 1 7.164 0.03 . . . . . . A 60 TYR HD1 . 36244 1 736 . 1 . 1 61 61 TYR HD2 H 1 7.164 0.03 . . . . . . A 60 TYR HD2 . 36244 1 737 . 1 . 1 61 61 TYR HE1 H 1 6.798 0.03 . . . . . . A 60 TYR HE1 . 36244 1 738 . 1 . 1 61 61 TYR HE2 H 1 6.798 0.03 . . . . . . A 60 TYR HE2 . 36244 1 739 . 1 . 1 61 61 TYR C C 13 176.236 0.30 . . . . . . A 60 TYR C . 36244 1 740 . 1 . 1 61 61 TYR CA C 13 59.356 0.30 . . . . . . A 60 TYR CA . 36244 1 741 . 1 . 1 61 61 TYR CB C 13 39.211 0.30 . . . . . . A 60 TYR CB . 36244 1 742 . 1 . 1 61 61 TYR CD1 C 13 133.044 0.30 . . . . . . A 60 TYR CD1 . 36244 1 743 . 1 . 1 61 61 TYR CD2 C 13 133.044 0.30 . . . . . . A 60 TYR CD2 . 36244 1 744 . 1 . 1 61 61 TYR CE1 C 13 118.179 0.30 . . . . . . A 60 TYR CE1 . 36244 1 745 . 1 . 1 61 61 TYR CE2 C 13 118.179 0.30 . . . . . . A 60 TYR CE2 . 36244 1 746 . 1 . 1 61 61 TYR N N 15 121.894 0.30 . . . . . . A 60 TYR N . 36244 1 747 . 1 . 1 62 62 ILE H H 1 8.850 0.03 . . . . . . A 61 ILE H . 36244 1 748 . 1 . 1 62 62 ILE HA H 1 4.693 0.03 . . . . . . A 61 ILE HA . 36244 1 749 . 1 . 1 62 62 ILE HB H 1 1.977 0.03 . . . . . . A 61 ILE HB . 36244 1 750 . 1 . 1 62 62 ILE HG12 H 1 1.276 0.03 . . . . . . A 61 ILE HG12 . 36244 1 751 . 1 . 1 62 62 ILE HG13 H 1 1.092 0.03 . . . . . . A 61 ILE HG13 . 36244 1 752 . 1 . 1 62 62 ILE HG21 H 1 0.922 0.03 . . . . . . A 61 ILE HG21 . 36244 1 753 . 1 . 1 62 62 ILE HG22 H 1 0.922 0.03 . . . . . . A 61 ILE HG22 . 36244 1 754 . 1 . 1 62 62 ILE HG23 H 1 0.922 0.03 . . . . . . A 61 ILE HG23 . 36244 1 755 . 1 . 1 62 62 ILE HD11 H 1 0.408 0.03 . . . . . . A 61 ILE HD11 . 36244 1 756 . 1 . 1 62 62 ILE HD12 H 1 0.408 0.03 . . . . . . A 61 ILE HD12 . 36244 1 757 . 1 . 1 62 62 ILE HD13 H 1 0.408 0.03 . . . . . . A 61 ILE HD13 . 36244 1 758 . 1 . 1 62 62 ILE C C 13 175.975 0.30 . . . . . . A 61 ILE C . 36244 1 759 . 1 . 1 62 62 ILE CA C 13 58.649 0.30 . . . . . . A 61 ILE CA . 36244 1 760 . 1 . 1 62 62 ILE CB C 13 35.405 0.30 . . . . . . A 61 ILE CB . 36244 1 761 . 1 . 1 62 62 ILE CG1 C 13 27.903 0.30 . . . . . . A 61 ILE CG1 . 36244 1 762 . 1 . 1 62 62 ILE CG2 C 13 18.506 0.30 . . . . . . A 61 ILE CG2 . 36244 1 763 . 1 . 1 62 62 ILE CD1 C 13 9.807 0.30 . . . . . . A 61 ILE CD1 . 36244 1 764 . 1 . 1 62 62 ILE N N 15 122.474 0.30 . . . . . . A 61 ILE N . 36244 1 765 . 1 . 1 63 63 THR H H 1 9.591 0.03 . . . . . . A 62 THR H . 36244 1 766 . 1 . 1 63 63 THR HA H 1 4.683 0.03 . . . . . . A 62 THR HA . 36244 1 767 . 1 . 1 63 63 THR HB H 1 4.649 0.03 . . . . . . A 62 THR HB . 36244 1 768 . 1 . 1 63 63 THR HG21 H 1 1.187 0.03 . . . . . . A 62 THR HG21 . 36244 1 769 . 1 . 1 63 63 THR HG22 H 1 1.187 0.03 . . . . . . A 62 THR HG22 . 36244 1 770 . 1 . 1 63 63 THR HG23 H 1 1.187 0.03 . . . . . . A 62 THR HG23 . 36244 1 771 . 1 . 1 63 63 THR C C 13 175.044 0.30 . . . . . . A 62 THR C . 36244 1 772 . 1 . 1 63 63 THR CA C 13 59.201 0.30 . . . . . . A 62 THR CA . 36244 1 773 . 1 . 1 63 63 THR CB C 13 73.100 0.30 . . . . . . A 62 THR CB . 36244 1 774 . 1 . 1 63 63 THR CG2 C 13 20.917 0.30 . . . . . . A 62 THR CG2 . 36244 1 775 . 1 . 1 63 63 THR N N 15 120.329 0.30 . . . . . . A 62 THR N . 36244 1 776 . 1 . 1 64 64 GLU H H 1 8.926 0.03 . . . . . . A 63 GLU H . 36244 1 777 . 1 . 1 64 64 GLU HA H 1 4.323 0.03 . . . . . . A 63 GLU HA . 36244 1 778 . 1 . 1 64 64 GLU HB2 H 1 2.207 0.03 . . . . . . A 63 GLU HB2 . 36244 1 779 . 1 . 1 64 64 GLU HB3 H 1 1.862 0.03 . . . . . . A 63 GLU HB3 . 36244 1 780 . 1 . 1 64 64 GLU HG2 H 1 2.540 0.03 . . . . . . A 63 GLU HG2 . 36244 1 781 . 1 . 1 64 64 GLU HG3 H 1 2.430 0.03 . . . . . . A 63 GLU HG3 . 36244 1 782 . 1 . 1 64 64 GLU C C 13 178.251 0.30 . . . . . . A 63 GLU C . 36244 1 783 . 1 . 1 64 64 GLU CA C 13 58.736 0.30 . . . . . . A 63 GLU CA . 36244 1 784 . 1 . 1 64 64 GLU CB C 13 28.831 0.30 . . . . . . A 63 GLU CB . 36244 1 785 . 1 . 1 64 64 GLU CG C 13 34.888 0.30 . . . . . . A 63 GLU CG . 36244 1 786 . 1 . 1 64 64 GLU N N 15 117.886 0.30 . . . . . . A 63 GLU N . 36244 1 787 . 1 . 1 65 65 LYS H H 1 7.785 0.03 . . . . . . A 64 LYS H . 36244 1 788 . 1 . 1 65 65 LYS HA H 1 4.277 0.03 . . . . . . A 64 LYS HA . 36244 1 789 . 1 . 1 65 65 LYS HB2 H 1 1.829 0.03 . . . . . . A 64 LYS HB2 . 36244 1 790 . 1 . 1 65 65 LYS HB3 H 1 1.721 0.03 . . . . . . A 64 LYS HB3 . 36244 1 791 . 1 . 1 65 65 LYS HG2 H 1 1.510 0.03 . . . . . . A 64 LYS HG2 . 36244 1 792 . 1 . 1 65 65 LYS HG3 H 1 1.428 0.03 . . . . . . A 64 LYS HG3 . 36244 1 793 . 1 . 1 65 65 LYS HD2 H 1 1.680 0.03 . . . . . . A 64 LYS HD2 . 36244 1 794 . 1 . 1 65 65 LYS HD3 H 1 1.680 0.03 . . . . . . A 64 LYS HD3 . 36244 1 795 . 1 . 1 65 65 LYS HE2 H 1 2.990 0.03 . . . . . . A 64 LYS HE2 . 36244 1 796 . 1 . 1 65 65 LYS HE3 H 1 2.990 0.03 . . . . . . A 64 LYS HE3 . 36244 1 797 . 1 . 1 65 65 LYS C C 13 177.682 0.30 . . . . . . A 64 LYS C . 36244 1 798 . 1 . 1 65 65 LYS CA C 13 57.612 0.30 . . . . . . A 64 LYS CA . 36244 1 799 . 1 . 1 65 65 LYS CB C 13 33.084 0.30 . . . . . . A 64 LYS CB . 36244 1 800 . 1 . 1 65 65 LYS CG C 13 25.196 0.30 . . . . . . A 64 LYS CG . 36244 1 801 . 1 . 1 65 65 LYS CD C 13 28.922 0.30 . . . . . . A 64 LYS CD . 36244 1 802 . 1 . 1 65 65 LYS CE C 13 42.073 0.30 . . . . . . A 64 LYS CE . 36244 1 803 . 1 . 1 65 65 LYS N N 15 115.003 0.30 . . . . . . A 64 LYS N . 36244 1 804 . 1 . 1 66 66 ASN H H 1 7.551 0.03 . . . . . . A 65 ASN H . 36244 1 805 . 1 . 1 66 66 ASN HA H 1 5.061 0.03 . . . . . . A 65 ASN HA . 36244 1 806 . 1 . 1 66 66 ASN HB2 H 1 3.362 0.03 . . . . . . A 65 ASN HB2 . 36244 1 807 . 1 . 1 66 66 ASN HB3 H 1 2.586 0.03 . . . . . . A 65 ASN HB3 . 36244 1 808 . 1 . 1 66 66 ASN HD21 H 1 7.440 0.03 . . . . . . A 65 ASN HD21 . 36244 1 809 . 1 . 1 66 66 ASN HD22 H 1 7.430 0.03 . . . . . . A 65 ASN HD22 . 36244 1 810 . 1 . 1 66 66 ASN C C 13 179.822 0.30 . . . . . . A 65 ASN C . 36244 1 811 . 1 . 1 66 66 ASN CA C 13 52.539 0.30 . . . . . . A 65 ASN CA . 36244 1 812 . 1 . 1 66 66 ASN CB C 13 39.104 0.30 . . . . . . A 65 ASN CB . 36244 1 813 . 1 . 1 66 66 ASN N N 15 115.495 0.30 . . . . . . A 65 ASN N . 36244 1 814 . 1 . 1 66 66 ASN ND2 N 15 108.326 0.30 . . . . . . A 65 ASN ND2 . 36244 1 815 . 1 . 1 67 67 ARG H H 1 7.790 0.03 . . . . . . A 66 ARG H . 36244 1 816 . 1 . 1 67 67 ARG HA H 1 4.137 0.03 . . . . . . A 66 ARG HA . 36244 1 817 . 1 . 1 67 67 ARG HB2 H 1 2.053 0.03 . . . . . . A 66 ARG HB2 . 36244 1 818 . 1 . 1 67 67 ARG HB3 H 1 1.993 0.03 . . . . . . A 66 ARG HB3 . 36244 1 819 . 1 . 1 67 67 ARG HG2 H 1 2.038 0.03 . . . . . . A 66 ARG HG2 . 36244 1 820 . 1 . 1 67 67 ARG HG3 H 1 1.547 0.03 . . . . . . A 66 ARG HG3 . 36244 1 821 . 1 . 1 67 67 ARG HD2 H 1 3.510 0.03 . . . . . . A 66 ARG HD2 . 36244 1 822 . 1 . 1 67 67 ARG HD3 H 1 2.936 0.03 . . . . . . A 66 ARG HD3 . 36244 1 823 . 1 . 1 67 67 ARG HE H 1 7.021 0.03 . . . . . . A 66 ARG HE . 36244 1 824 . 1 . 1 67 67 ARG C C 13 177.115 0.30 . . . . . . A 66 ARG C . 36244 1 825 . 1 . 1 67 67 ARG CA C 13 58.844 0.30 . . . . . . A 66 ARG CA . 36244 1 826 . 1 . 1 67 67 ARG CB C 13 29.117 0.30 . . . . . . A 66 ARG CB . 36244 1 827 . 1 . 1 67 67 ARG CG C 13 24.329 0.30 . . . . . . A 66 ARG CG . 36244 1 828 . 1 . 1 67 67 ARG CD C 13 45.074 0.30 . . . . . . A 66 ARG CD . 36244 1 829 . 1 . 1 67 67 ARG N N 15 118.101 0.30 . . . . . . A 66 ARG N . 36244 1 830 . 1 . 1 67 67 ARG NE N 15 82.170 0.30 . . . . . . A 66 ARG NE . 36244 1 831 . 1 . 1 68 68 ASN H H 1 8.470 0.03 . . . . . . A 67 ASN H . 36244 1 832 . 1 . 1 68 68 ASN HA H 1 4.553 0.03 . . . . . . A 67 ASN HA . 36244 1 833 . 1 . 1 68 68 ASN HB2 H 1 2.872 0.03 . . . . . . A 67 ASN HB2 . 36244 1 834 . 1 . 1 68 68 ASN HB3 H 1 2.846 0.03 . . . . . . A 67 ASN HB3 . 36244 1 835 . 1 . 1 68 68 ASN HD21 H 1 7.625 0.03 . . . . . . A 67 ASN HD21 . 36244 1 836 . 1 . 1 68 68 ASN HD22 H 1 6.927 0.03 . . . . . . A 67 ASN HD22 . 36244 1 837 . 1 . 1 68 68 ASN C C 13 175.683 0.30 . . . . . . A 67 ASN C . 36244 1 838 . 1 . 1 68 68 ASN CA C 13 54.986 0.30 . . . . . . A 67 ASN CA . 36244 1 839 . 1 . 1 68 68 ASN CB C 13 37.339 0.30 . . . . . . A 67 ASN CB . 36244 1 840 . 1 . 1 68 68 ASN N N 15 118.571 0.30 . . . . . . A 67 ASN N . 36244 1 841 . 1 . 1 68 68 ASN ND2 N 15 112.647 0.30 . . . . . . A 67 ASN ND2 . 36244 1 842 . 1 . 1 69 69 GLU H H 1 7.879 0.03 . . . . . . A 68 GLU H . 36244 1 843 . 1 . 1 69 69 GLU HA H 1 4.248 0.03 . . . . . . A 68 GLU HA . 36244 1 844 . 1 . 1 69 69 GLU HB2 H 1 2.294 0.03 . . . . . . A 68 GLU HB2 . 36244 1 845 . 1 . 1 69 69 GLU HB3 H 1 2.116 0.03 . . . . . . A 68 GLU HB3 . 36244 1 846 . 1 . 1 69 69 GLU HG2 H 1 2.358 0.03 . . . . . . A 68 GLU HG2 . 36244 1 847 . 1 . 1 69 69 GLU HG3 H 1 2.265 0.03 . . . . . . A 68 GLU HG3 . 36244 1 848 . 1 . 1 69 69 GLU C C 13 177.112 0.30 . . . . . . A 68 GLU C . 36244 1 849 . 1 . 1 69 69 GLU CA C 13 56.432 0.30 . . . . . . A 68 GLU CA . 36244 1 850 . 1 . 1 69 69 GLU CB C 13 29.778 0.30 . . . . . . A 68 GLU CB . 36244 1 851 . 1 . 1 69 69 GLU CG C 13 36.442 0.30 . . . . . . A 68 GLU CG . 36244 1 852 . 1 . 1 69 69 GLU N N 15 117.623 0.30 . . . . . . A 68 GLU N . 36244 1 853 . 1 . 1 70 70 ILE H H 1 7.317 0.03 . . . . . . A 69 ILE H . 36244 1 854 . 1 . 1 70 70 ILE HA H 1 3.875 0.03 . . . . . . A 69 ILE HA . 36244 1 855 . 1 . 1 70 70 ILE HB H 1 1.776 0.03 . . . . . . A 69 ILE HB . 36244 1 856 . 1 . 1 70 70 ILE HG12 H 1 1.862 0.03 . . . . . . A 69 ILE HG12 . 36244 1 857 . 1 . 1 70 70 ILE HG13 H 1 0.925 0.03 . . . . . . A 69 ILE HG13 . 36244 1 858 . 1 . 1 70 70 ILE HG21 H 1 0.803 0.03 . . . . . . A 69 ILE HG21 . 36244 1 859 . 1 . 1 70 70 ILE HG22 H 1 0.803 0.03 . . . . . . A 69 ILE HG22 . 36244 1 860 . 1 . 1 70 70 ILE HG23 H 1 0.803 0.03 . . . . . . A 69 ILE HG23 . 36244 1 861 . 1 . 1 70 70 ILE HD11 H 1 0.881 0.03 . . . . . . A 69 ILE HD11 . 36244 1 862 . 1 . 1 70 70 ILE HD12 H 1 0.881 0.03 . . . . . . A 69 ILE HD12 . 36244 1 863 . 1 . 1 70 70 ILE HD13 H 1 0.881 0.03 . . . . . . A 69 ILE HD13 . 36244 1 864 . 1 . 1 70 70 ILE C C 13 174.716 0.30 . . . . . . A 69 ILE C . 36244 1 865 . 1 . 1 70 70 ILE CA C 13 63.136 0.30 . . . . . . A 69 ILE CA . 36244 1 866 . 1 . 1 70 70 ILE CB C 13 38.210 0.30 . . . . . . A 69 ILE CB . 36244 1 867 . 1 . 1 70 70 ILE CG1 C 13 28.225 0.30 . . . . . . A 69 ILE CG1 . 36244 1 868 . 1 . 1 70 70 ILE CG2 C 13 18.752 0.30 . . . . . . A 69 ILE CG2 . 36244 1 869 . 1 . 1 70 70 ILE CD1 C 13 13.575 0.30 . . . . . . A 69 ILE CD1 . 36244 1 870 . 1 . 1 70 70 ILE N N 15 119.257 0.30 . . . . . . A 69 ILE N . 36244 1 871 . 1 . 1 71 71 LYS H H 1 8.152 0.03 . . . . . . A 70 LYS H . 36244 1 872 . 1 . 1 71 71 LYS HA H 1 4.646 0.03 . . . . . . A 70 LYS HA . 36244 1 873 . 1 . 1 71 71 LYS HB2 H 1 1.916 0.03 . . . . . . A 70 LYS HB2 . 36244 1 874 . 1 . 1 71 71 LYS HB3 H 1 1.688 0.03 . . . . . . A 70 LYS HB3 . 36244 1 875 . 1 . 1 71 71 LYS HG2 H 1 1.517 0.03 . . . . . . A 70 LYS HG2 . 36244 1 876 . 1 . 1 71 71 LYS HG3 H 1 1.472 0.03 . . . . . . A 70 LYS HG3 . 36244 1 877 . 1 . 1 71 71 LYS HD2 H 1 1.689 0.03 . . . . . . A 70 LYS HD2 . 36244 1 878 . 1 . 1 71 71 LYS HD3 H 1 1.689 0.03 . . . . . . A 70 LYS HD3 . 36244 1 879 . 1 . 1 71 71 LYS HE2 H 1 3.035 0.03 . . . . . . A 70 LYS HE2 . 36244 1 880 . 1 . 1 71 71 LYS HE3 H 1 3.035 0.03 . . . . . . A 70 LYS HE3 . 36244 1 881 . 1 . 1 71 71 LYS C C 13 177.188 0.30 . . . . . . A 70 LYS C . 36244 1 882 . 1 . 1 71 71 LYS CA C 13 53.959 0.30 . . . . . . A 70 LYS CA . 36244 1 883 . 1 . 1 71 71 LYS CB C 13 34.765 0.30 . . . . . . A 70 LYS CB . 36244 1 884 . 1 . 1 71 71 LYS CG C 13 24.496 0.30 . . . . . . A 70 LYS CG . 36244 1 885 . 1 . 1 71 71 LYS CD C 13 28.762 0.30 . . . . . . A 70 LYS CD . 36244 1 886 . 1 . 1 71 71 LYS CE C 13 42.328 0.30 . . . . . . A 70 LYS CE . 36244 1 887 . 1 . 1 71 71 LYS N N 15 125.585 0.30 . . . . . . A 70 LYS N . 36244 1 888 . 1 . 1 72 72 ASN H H 1 8.915 0.03 . . . . . . A 71 ASN H . 36244 1 889 . 1 . 1 72 72 ASN HA H 1 4.837 0.03 . . . . . . A 71 ASN HA . 36244 1 890 . 1 . 1 72 72 ASN HB2 H 1 2.792 0.03 . . . . . . A 71 ASN HB2 . 36244 1 891 . 1 . 1 72 72 ASN HB3 H 1 2.792 0.03 . . . . . . A 71 ASN HB3 . 36244 1 892 . 1 . 1 72 72 ASN HD21 H 1 7.741 0.03 . . . . . . A 71 ASN HD21 . 36244 1 893 . 1 . 1 72 72 ASN HD22 H 1 7.231 0.03 . . . . . . A 71 ASN HD22 . 36244 1 894 . 1 . 1 72 72 ASN C C 13 177.286 0.30 . . . . . . A 71 ASN C . 36244 1 895 . 1 . 1 72 72 ASN CA C 13 55.191 0.30 . . . . . . A 71 ASN CA . 36244 1 896 . 1 . 1 72 72 ASN CB C 13 38.758 0.30 . . . . . . A 71 ASN CB . 36244 1 897 . 1 . 1 72 72 ASN N N 15 120.540 0.30 . . . . . . A 71 ASN N . 36244 1 898 . 1 . 1 72 72 ASN ND2 N 15 114.511 0.30 . . . . . . A 71 ASN ND2 . 36244 1 899 . 1 . 1 73 73 GLY H H 1 9.468 0.03 . . . . . . A 72 GLY H . 36244 1 900 . 1 . 1 73 73 GLY HA2 H 1 4.270 0.03 . . . . . . A 72 GLY HA2 . 36244 1 901 . 1 . 1 73 73 GLY HA3 H 1 3.627 0.03 . . . . . . A 72 GLY HA3 . 36244 1 902 . 1 . 1 73 73 GLY C C 13 174.480 0.30 . . . . . . A 72 GLY C . 36244 1 903 . 1 . 1 73 73 GLY CA C 13 45.075 0.30 . . . . . . A 72 GLY CA . 36244 1 904 . 1 . 1 73 73 GLY N N 15 112.612 0.30 . . . . . . A 72 GLY N . 36244 1 905 . 1 . 1 74 74 THR H H 1 7.734 0.03 . . . . . . A 73 THR H . 36244 1 906 . 1 . 1 74 74 THR HA H 1 4.134 0.03 . . . . . . A 73 THR HA . 36244 1 907 . 1 . 1 74 74 THR HB H 1 4.068 0.03 . . . . . . A 73 THR HB . 36244 1 908 . 1 . 1 74 74 THR HG21 H 1 1.223 0.03 . . . . . . A 73 THR HG21 . 36244 1 909 . 1 . 1 74 74 THR HG22 H 1 1.223 0.03 . . . . . . A 73 THR HG22 . 36244 1 910 . 1 . 1 74 74 THR HG23 H 1 1.223 0.03 . . . . . . A 73 THR HG23 . 36244 1 911 . 1 . 1 74 74 THR C C 13 171.838 0.30 . . . . . . A 73 THR C . 36244 1 912 . 1 . 1 74 74 THR CA C 13 64.888 0.30 . . . . . . A 73 THR CA . 36244 1 913 . 1 . 1 74 74 THR CB C 13 70.100 0.30 . . . . . . A 73 THR CB . 36244 1 914 . 1 . 1 74 74 THR CG2 C 13 22.508 0.30 . . . . . . A 73 THR CG2 . 36244 1 915 . 1 . 1 74 74 THR N N 15 118.115 0.30 . . . . . . A 73 THR N . 36244 1 916 . 1 . 1 75 75 ILE H H 1 8.283 0.03 . . . . . . A 74 ILE H . 36244 1 917 . 1 . 1 75 75 ILE HA H 1 4.825 0.03 . . . . . . A 74 ILE HA . 36244 1 918 . 1 . 1 75 75 ILE HB H 1 1.760 0.03 . . . . . . A 74 ILE HB . 36244 1 919 . 1 . 1 75 75 ILE HG12 H 1 1.697 0.03 . . . . . . A 74 ILE HG12 . 36244 1 920 . 1 . 1 75 75 ILE HG13 H 1 1.072 0.03 . . . . . . A 74 ILE HG13 . 36244 1 921 . 1 . 1 75 75 ILE HG21 H 1 0.838 0.03 . . . . . . A 74 ILE HG21 . 36244 1 922 . 1 . 1 75 75 ILE HG22 H 1 0.838 0.03 . . . . . . A 74 ILE HG22 . 36244 1 923 . 1 . 1 75 75 ILE HG23 H 1 0.838 0.03 . . . . . . A 74 ILE HG23 . 36244 1 924 . 1 . 1 75 75 ILE HD11 H 1 0.863 0.03 . . . . . . A 74 ILE HD11 . 36244 1 925 . 1 . 1 75 75 ILE HD12 H 1 0.863 0.03 . . . . . . A 74 ILE HD12 . 36244 1 926 . 1 . 1 75 75 ILE HD13 H 1 0.863 0.03 . . . . . . A 74 ILE HD13 . 36244 1 927 . 1 . 1 75 75 ILE C C 13 175.322 0.30 . . . . . . A 74 ILE C . 36244 1 928 . 1 . 1 75 75 ILE CA C 13 60.452 0.30 . . . . . . A 74 ILE CA . 36244 1 929 . 1 . 1 75 75 ILE CB C 13 38.371 0.30 . . . . . . A 74 ILE CB . 36244 1 930 . 1 . 1 75 75 ILE CG1 C 13 27.760 0.30 . . . . . . A 74 ILE CG1 . 36244 1 931 . 1 . 1 75 75 ILE CG2 C 13 17.702 0.30 . . . . . . A 74 ILE CG2 . 36244 1 932 . 1 . 1 75 75 ILE CD1 C 13 13.254 0.30 . . . . . . A 74 ILE CD1 . 36244 1 933 . 1 . 1 75 75 ILE N N 15 124.619 0.30 . . . . . . A 74 ILE N . 36244 1 934 . 1 . 1 76 76 LEU H H 1 9.413 0.03 . . . . . . A 75 LEU H . 36244 1 935 . 1 . 1 76 76 LEU HA H 1 5.121 0.03 . . . . . . A 75 LEU HA . 36244 1 936 . 1 . 1 76 76 LEU HB2 H 1 1.782 0.03 . . . . . . A 75 LEU HB2 . 36244 1 937 . 1 . 1 76 76 LEU HB3 H 1 1.310 0.03 . . . . . . A 75 LEU HB3 . 36244 1 938 . 1 . 1 76 76 LEU HG H 1 1.539 0.03 . . . . . . A 75 LEU HG . 36244 1 939 . 1 . 1 76 76 LEU HD11 H 1 0.724 0.03 . . . . . . A 75 LEU HD11 . 36244 1 940 . 1 . 1 76 76 LEU HD12 H 1 0.724 0.03 . . . . . . A 75 LEU HD12 . 36244 1 941 . 1 . 1 76 76 LEU HD13 H 1 0.724 0.03 . . . . . . A 75 LEU HD13 . 36244 1 942 . 1 . 1 76 76 LEU HD21 H 1 0.555 0.03 . . . . . . A 75 LEU HD21 . 36244 1 943 . 1 . 1 76 76 LEU HD22 H 1 0.555 0.03 . . . . . . A 75 LEU HD22 . 36244 1 944 . 1 . 1 76 76 LEU HD23 H 1 0.555 0.03 . . . . . . A 75 LEU HD23 . 36244 1 945 . 1 . 1 76 76 LEU C C 13 175.046 0.30 . . . . . . A 75 LEU C . 36244 1 946 . 1 . 1 76 76 LEU CA C 13 52.306 0.30 . . . . . . A 75 LEU CA . 36244 1 947 . 1 . 1 76 76 LEU CB C 13 45.589 0.30 . . . . . . A 75 LEU CB . 36244 1 948 . 1 . 1 76 76 LEU CG C 13 26.988 0.30 . . . . . . A 75 LEU CG . 36244 1 949 . 1 . 1 76 76 LEU CD1 C 13 26.341 0.30 . . . . . . A 75 LEU CD1 . 36244 1 950 . 1 . 1 76 76 LEU CD2 C 13 23.829 0.30 . . . . . . A 75 LEU CD2 . 36244 1 951 . 1 . 1 76 76 LEU N N 15 127.290 0.30 . . . . . . A 75 LEU N . 36244 1 952 . 1 . 1 77 77 ARG H H 1 9.508 0.03 . . . . . . A 76 ARG H . 36244 1 953 . 1 . 1 77 77 ARG HA H 1 5.210 0.03 . . . . . . A 76 ARG HA . 36244 1 954 . 1 . 1 77 77 ARG HB2 H 1 1.776 0.03 . . . . . . A 76 ARG HB2 . 36244 1 955 . 1 . 1 77 77 ARG HB3 H 1 1.713 0.03 . . . . . . A 76 ARG HB3 . 36244 1 956 . 1 . 1 77 77 ARG HG2 H 1 1.601 0.03 . . . . . . A 76 ARG HG2 . 36244 1 957 . 1 . 1 77 77 ARG HG3 H 1 1.519 0.03 . . . . . . A 76 ARG HG3 . 36244 1 958 . 1 . 1 77 77 ARG HD2 H 1 3.255 0.03 . . . . . . A 76 ARG HD2 . 36244 1 959 . 1 . 1 77 77 ARG HD3 H 1 3.207 0.03 . . . . . . A 76 ARG HD3 . 36244 1 960 . 1 . 1 77 77 ARG HE H 1 7.376 0.03 . . . . . . A 76 ARG HE . 36244 1 961 . 1 . 1 77 77 ARG C C 13 175.151 0.30 . . . . . . A 76 ARG C . 36244 1 962 . 1 . 1 77 77 ARG CA C 13 54.325 0.30 . . . . . . A 76 ARG CA . 36244 1 963 . 1 . 1 77 77 ARG CB C 13 33.524 0.30 . . . . . . A 76 ARG CB . 36244 1 964 . 1 . 1 77 77 ARG CG C 13 27.777 0.30 . . . . . . A 76 ARG CG . 36244 1 965 . 1 . 1 77 77 ARG CD C 13 43.444 0.30 . . . . . . A 76 ARG CD . 36244 1 966 . 1 . 1 77 77 ARG N N 15 119.240 0.30 . . . . . . A 76 ARG N . 36244 1 967 . 1 . 1 77 77 ARG NE N 15 84.048 0.30 . . . . . . A 76 ARG NE . 36244 1 968 . 1 . 1 78 78 LEU H H 1 8.679 0.03 . . . . . . A 77 LEU H . 36244 1 969 . 1 . 1 78 78 LEU HA H 1 5.059 0.03 . . . . . . A 77 LEU HA . 36244 1 970 . 1 . 1 78 78 LEU HB2 H 1 2.307 0.03 . . . . . . A 77 LEU HB2 . 36244 1 971 . 1 . 1 78 78 LEU HB3 H 1 1.218 0.03 . . . . . . A 77 LEU HB3 . 36244 1 972 . 1 . 1 78 78 LEU HG H 1 1.603 0.03 . . . . . . A 77 LEU HG . 36244 1 973 . 1 . 1 78 78 LEU HD11 H 1 0.226 0.03 . . . . . . A 77 LEU HD11 . 36244 1 974 . 1 . 1 78 78 LEU HD12 H 1 0.226 0.03 . . . . . . A 77 LEU HD12 . 36244 1 975 . 1 . 1 78 78 LEU HD13 H 1 0.226 0.03 . . . . . . A 77 LEU HD13 . 36244 1 976 . 1 . 1 78 78 LEU HD21 H 1 0.859 0.03 . . . . . . A 77 LEU HD21 . 36244 1 977 . 1 . 1 78 78 LEU HD22 H 1 0.859 0.03 . . . . . . A 77 LEU HD22 . 36244 1 978 . 1 . 1 78 78 LEU HD23 H 1 0.859 0.03 . . . . . . A 77 LEU HD23 . 36244 1 979 . 1 . 1 78 78 LEU C C 13 175.131 0.30 . . . . . . A 77 LEU C . 36244 1 980 . 1 . 1 78 78 LEU CA C 13 54.770 0.30 . . . . . . A 77 LEU CA . 36244 1 981 . 1 . 1 78 78 LEU CB C 13 43.588 0.30 . . . . . . A 77 LEU CB . 36244 1 982 . 1 . 1 78 78 LEU CG C 13 27.203 0.30 . . . . . . A 77 LEU CG . 36244 1 983 . 1 . 1 78 78 LEU CD1 C 13 26.098 0.30 . . . . . . A 77 LEU CD1 . 36244 1 984 . 1 . 1 78 78 LEU CD2 C 13 24.202 0.30 . . . . . . A 77 LEU CD2 . 36244 1 985 . 1 . 1 78 78 LEU N N 15 127.079 0.30 . . . . . . A 77 LEU N . 36244 1 986 . 1 . 1 79 79 THR H H 1 9.268 0.03 . . . . . . A 78 THR H . 36244 1 987 . 1 . 1 79 79 THR HA H 1 5.196 0.03 . . . . . . A 78 THR HA . 36244 1 988 . 1 . 1 79 79 THR HB H 1 4.115 0.03 . . . . . . A 78 THR HB . 36244 1 989 . 1 . 1 79 79 THR HG21 H 1 1.223 0.03 . . . . . . A 78 THR HG21 . 36244 1 990 . 1 . 1 79 79 THR HG22 H 1 1.223 0.03 . . . . . . A 78 THR HG22 . 36244 1 991 . 1 . 1 79 79 THR HG23 H 1 1.223 0.03 . . . . . . A 78 THR HG23 . 36244 1 992 . 1 . 1 79 79 THR C C 13 172.822 0.30 . . . . . . A 78 THR C . 36244 1 993 . 1 . 1 79 79 THR CA C 13 59.479 0.30 . . . . . . A 78 THR CA . 36244 1 994 . 1 . 1 79 79 THR CB C 13 71.015 0.30 . . . . . . A 78 THR CB . 36244 1 995 . 1 . 1 79 79 THR CG2 C 13 19.561 0.30 . . . . . . A 78 THR CG2 . 36244 1 996 . 1 . 1 79 79 THR N N 15 120.787 0.30 . . . . . . A 78 THR N . 36244 1 997 . 1 . 1 80 80 THR H H 1 8.314 0.03 . . . . . . A 79 THR H . 36244 1 998 . 1 . 1 80 80 THR HA H 1 4.376 0.03 . . . . . . A 79 THR HA . 36244 1 999 . 1 . 1 80 80 THR HB H 1 3.963 0.03 . . . . . . A 79 THR HB . 36244 1 1000 . 1 . 1 80 80 THR HG21 H 1 1.074 0.03 . . . . . . A 79 THR HG21 . 36244 1 1001 . 1 . 1 80 80 THR HG22 H 1 1.074 0.03 . . . . . . A 79 THR HG22 . 36244 1 1002 . 1 . 1 80 80 THR HG23 H 1 1.074 0.03 . . . . . . A 79 THR HG23 . 36244 1 1003 . 1 . 1 80 80 THR C C 13 174.839 0.30 . . . . . . A 79 THR C . 36244 1 1004 . 1 . 1 80 80 THR CA C 13 61.811 0.30 . . . . . . A 79 THR CA . 36244 1 1005 . 1 . 1 80 80 THR CB C 13 69.705 0.30 . . . . . . A 79 THR CB . 36244 1 1006 . 1 . 1 80 80 THR CG2 C 13 21.882 0.30 . . . . . . A 79 THR CG2 . 36244 1 1007 . 1 . 1 80 80 THR N N 15 115.304 0.30 . . . . . . A 79 THR N . 36244 1 1008 . 1 . 1 81 81 SER H H 1 8.397 0.03 . . . . . . A 80 SER H . 36244 1 1009 . 1 . 1 81 81 SER HA H 1 4.402 0.03 . . . . . . A 80 SER HA . 36244 1 1010 . 1 . 1 81 81 SER HB2 H 1 3.737 0.03 . . . . . . A 80 SER HB2 . 36244 1 1011 . 1 . 1 81 81 SER HB3 H 1 3.602 0.03 . . . . . . A 80 SER HB3 . 36244 1 1012 . 1 . 1 81 81 SER C C 13 173.432 0.30 . . . . . . A 80 SER C . 36244 1 1013 . 1 . 1 81 81 SER CA C 13 56.209 0.30 . . . . . . A 80 SER CA . 36244 1 1014 . 1 . 1 81 81 SER CB C 13 63.158 0.30 . . . . . . A 80 SER CB . 36244 1 1015 . 1 . 1 81 81 SER N N 15 119.520 0.30 . . . . . . A 80 SER N . 36244 1 1016 . 1 . 1 82 82 PRO HA H 1 4.305 0.03 . . . . . . A 81 PRO HA . 36244 1 1017 . 1 . 1 82 82 PRO HB2 H 1 2.012 0.03 . . . . . . A 81 PRO HB2 . 36244 1 1018 . 1 . 1 82 82 PRO HB3 H 1 1.789 0.03 . . . . . . A 81 PRO HB3 . 36244 1 1019 . 1 . 1 82 82 PRO HG2 H 1 1.650 0.03 . . . . . . A 81 PRO HG2 . 36244 1 1020 . 1 . 1 82 82 PRO HG3 H 1 1.345 0.03 . . . . . . A 81 PRO HG3 . 36244 1 1021 . 1 . 1 82 82 PRO HD2 H 1 3.489 0.03 . . . . . . A 81 PRO HD2 . 36244 1 1022 . 1 . 1 82 82 PRO HD3 H 1 3.250 0.03 . . . . . . A 81 PRO HD3 . 36244 1 1023 . 1 . 1 82 82 PRO C C 13 177.018 0.30 . . . . . . A 81 PRO C . 36244 1 1024 . 1 . 1 82 82 PRO CA C 13 63.614 0.30 . . . . . . A 81 PRO CA . 36244 1 1025 . 1 . 1 82 82 PRO CB C 13 31.690 0.30 . . . . . . A 81 PRO CB . 36244 1 1026 . 1 . 1 82 82 PRO CG C 13 26.872 0.30 . . . . . . A 81 PRO CG . 36244 1 1027 . 1 . 1 82 82 PRO CD C 13 50.466 0.30 . . . . . . A 81 PRO CD . 36244 1 1028 . 1 . 1 83 83 ALA H H 1 8.014 0.03 . . . . . . A 82 ALA H . 36244 1 1029 . 1 . 1 83 83 ALA HA H 1 4.141 0.03 . . . . . . A 82 ALA HA . 36244 1 1030 . 1 . 1 83 83 ALA HB1 H 1 1.280 0.03 . . . . . . A 82 ALA HB1 . 36244 1 1031 . 1 . 1 83 83 ALA HB2 H 1 1.280 0.03 . . . . . . A 82 ALA HB2 . 36244 1 1032 . 1 . 1 83 83 ALA HB3 H 1 1.280 0.03 . . . . . . A 82 ALA HB3 . 36244 1 1033 . 1 . 1 83 83 ALA C C 13 178.153 0.30 . . . . . . A 82 ALA C . 36244 1 1034 . 1 . 1 83 83 ALA CA C 13 52.914 0.30 . . . . . . A 82 ALA CA . 36244 1 1035 . 1 . 1 83 83 ALA CB C 13 18.952 0.30 . . . . . . A 82 ALA CB . 36244 1 1036 . 1 . 1 83 83 ALA N N 15 122.650 0.30 . . . . . . A 82 ALA N . 36244 1 1037 . 1 . 1 84 84 GLN H H 1 8.051 0.03 . . . . . . A 83 GLN H . 36244 1 1038 . 1 . 1 84 84 GLN HA H 1 4.172 0.03 . . . . . . A 83 GLN HA . 36244 1 1039 . 1 . 1 84 84 GLN HB2 H 1 2.023 0.03 . . . . . . A 83 GLN HB2 . 36244 1 1040 . 1 . 1 84 84 GLN HB3 H 1 1.893 0.03 . . . . . . A 83 GLN HB3 . 36244 1 1041 . 1 . 1 84 84 GLN HG2 H 1 2.215 0.03 . . . . . . A 83 GLN HG2 . 36244 1 1042 . 1 . 1 84 84 GLN HG3 H 1 2.215 0.03 . . . . . . A 83 GLN HG3 . 36244 1 1043 . 1 . 1 84 84 GLN HE21 H 1 7.328 0.03 . . . . . . A 83 GLN HE21 . 36244 1 1044 . 1 . 1 84 84 GLN HE22 H 1 6.665 0.03 . . . . . . A 83 GLN HE22 . 36244 1 1045 . 1 . 1 84 84 GLN C C 13 176.077 0.30 . . . . . . A 83 GLN C . 36244 1 1046 . 1 . 1 84 84 GLN CA C 13 56.100 0.30 . . . . . . A 83 GLN CA . 36244 1 1047 . 1 . 1 84 84 GLN CB C 13 29.148 0.30 . . . . . . A 83 GLN CB . 36244 1 1048 . 1 . 1 84 84 GLN CG C 13 33.690 0.30 . . . . . . A 83 GLN CG . 36244 1 1049 . 1 . 1 84 84 GLN N N 15 118.606 0.30 . . . . . . A 83 GLN N . 36244 1 1050 . 1 . 1 84 84 GLN NE2 N 15 111.817 0.30 . . . . . . A 83 GLN NE2 . 36244 1 1051 . 1 . 1 85 85 ASN H H 1 8.220 0.03 . . . . . . A 84 ASN H . 36244 1 1052 . 1 . 1 85 85 ASN HA H 1 4.593 0.03 . . . . . . A 84 ASN HA . 36244 1 1053 . 1 . 1 85 85 ASN HB2 H 1 2.799 0.03 . . . . . . A 84 ASN HB2 . 36244 1 1054 . 1 . 1 85 85 ASN HB3 H 1 2.752 0.03 . . . . . . A 84 ASN HB3 . 36244 1 1055 . 1 . 1 85 85 ASN HD21 H 1 7.538 0.03 . . . . . . A 84 ASN HD21 . 36244 1 1056 . 1 . 1 85 85 ASN HD22 H 1 6.865 0.03 . . . . . . A 84 ASN HD22 . 36244 1 1057 . 1 . 1 85 85 ASN C C 13 175.381 0.30 . . . . . . A 84 ASN C . 36244 1 1058 . 1 . 1 85 85 ASN CA C 13 53.458 0.30 . . . . . . A 84 ASN CA . 36244 1 1059 . 1 . 1 85 85 ASN CB C 13 38.746 0.30 . . . . . . A 84 ASN CB . 36244 1 1060 . 1 . 1 85 85 ASN N N 15 118.828 0.30 . . . . . . A 84 ASN N . 36244 1 1061 . 1 . 1 85 85 ASN ND2 N 15 112.490 0.30 . . . . . . A 84 ASN ND2 . 36244 1 1062 . 1 . 1 86 86 ALA H H 1 8.158 0.03 . . . . . . A 85 ALA H . 36244 1 1063 . 1 . 1 86 86 ALA HA H 1 4.185 0.03 . . . . . . A 85 ALA HA . 36244 1 1064 . 1 . 1 86 86 ALA HB1 H 1 1.381 0.03 . . . . . . A 85 ALA HB1 . 36244 1 1065 . 1 . 1 86 86 ALA HB2 H 1 1.381 0.03 . . . . . . A 85 ALA HB2 . 36244 1 1066 . 1 . 1 86 86 ALA HB3 H 1 1.381 0.03 . . . . . . A 85 ALA HB3 . 36244 1 1067 . 1 . 1 86 86 ALA C C 13 178.227 0.30 . . . . . . A 85 ALA C . 36244 1 1068 . 1 . 1 86 86 ALA CA C 13 53.432 0.30 . . . . . . A 85 ALA CA . 36244 1 1069 . 1 . 1 86 86 ALA CB C 13 18.953 0.30 . . . . . . A 85 ALA CB . 36244 1 1070 . 1 . 1 86 86 ALA N N 15 123.529 0.30 . . . . . . A 85 ALA N . 36244 1 1071 . 1 . 1 87 87 GLN H H 1 8.180 0.03 . . . . . . A 86 GLN H . 36244 1 1072 . 1 . 1 87 87 GLN HA H 1 4.189 0.03 . . . . . . A 86 GLN HA . 36244 1 1073 . 1 . 1 87 87 GLN HB2 H 1 2.065 0.03 . . . . . . A 86 GLN HB2 . 36244 1 1074 . 1 . 1 87 87 GLN HB3 H 1 2.010 0.03 . . . . . . A 86 GLN HB3 . 36244 1 1075 . 1 . 1 87 87 GLN HG2 H 1 2.355 0.03 . . . . . . A 86 GLN HG2 . 36244 1 1076 . 1 . 1 87 87 GLN C C 13 176.620 0.30 . . . . . . A 86 GLN C . 36244 1 1077 . 1 . 1 87 87 GLN CA C 13 56.808 0.30 . . . . . . A 86 GLN CA . 36244 1 1078 . 1 . 1 87 87 GLN CB C 13 29.081 0.30 . . . . . . A 86 GLN CB . 36244 1 1079 . 1 . 1 87 87 GLN CG C 13 33.958 0.30 . . . . . . A 86 GLN CG . 36244 1 1080 . 1 . 1 87 87 GLN N N 15 118.536 0.30 . . . . . . A 86 GLN N . 36244 1 1081 . 1 . 1 88 88 GLN H H 1 8.219 0.03 . . . . . . A 87 GLN H . 36244 1 1082 . 1 . 1 88 88 GLN HA H 1 4.225 0.03 . . . . . . A 87 GLN HA . 36244 1 1083 . 1 . 1 88 88 GLN HB2 H 1 1.950 0.03 . . . . . . A 87 GLN HB2 . 36244 1 1084 . 1 . 1 88 88 GLN HG2 H 1 2.329 0.03 . . . . . . A 87 GLN HG2 . 36244 1 1085 . 1 . 1 88 88 GLN C C 13 176.642 0.30 . . . . . . A 87 GLN C . 36244 1 1086 . 1 . 1 88 88 GLN CA C 13 56.227 0.30 . . . . . . A 87 GLN CA . 36244 1 1087 . 1 . 1 88 88 GLN CB C 13 29.129 0.30 . . . . . . A 87 GLN CB . 36244 1 1088 . 1 . 1 88 88 GLN CG C 13 33.922 0.30 . . . . . . A 87 GLN CG . 36244 1 1089 . 1 . 1 88 88 GLN N N 15 120.159 0.30 . . . . . . A 87 GLN N . 36244 1 1090 . 1 . 1 89 89 LEU H H 1 8.087 0.03 . . . . . . A 88 LEU H . 36244 1 1091 . 1 . 1 89 89 LEU HA H 1 4.183 0.03 . . . . . . A 88 LEU HA . 36244 1 1092 . 1 . 1 89 89 LEU HB2 H 1 1.605 0.03 . . . . . . A 88 LEU HB2 . 36244 1 1093 . 1 . 1 89 89 LEU HB3 H 1 1.501 0.03 . . . . . . A 88 LEU HB3 . 36244 1 1094 . 1 . 1 89 89 LEU HG H 1 1.524 0.03 . . . . . . A 88 LEU HG . 36244 1 1095 . 1 . 1 89 89 LEU HD11 H 1 0.850 0.03 . . . . . . A 88 LEU HD11 . 36244 1 1096 . 1 . 1 89 89 LEU HD12 H 1 0.850 0.03 . . . . . . A 88 LEU HD12 . 36244 1 1097 . 1 . 1 89 89 LEU HD13 H 1 0.850 0.03 . . . . . . A 88 LEU HD13 . 36244 1 1098 . 1 . 1 89 89 LEU HD21 H 1 0.799 0.03 . . . . . . A 88 LEU HD21 . 36244 1 1099 . 1 . 1 89 89 LEU HD22 H 1 0.799 0.03 . . . . . . A 88 LEU HD22 . 36244 1 1100 . 1 . 1 89 89 LEU HD23 H 1 0.799 0.03 . . . . . . A 88 LEU HD23 . 36244 1 1101 . 1 . 1 89 89 LEU C C 13 177.694 0.30 . . . . . . A 88 LEU C . 36244 1 1102 . 1 . 1 89 89 LEU CA C 13 56.075 0.30 . . . . . . A 88 LEU CA . 36244 1 1103 . 1 . 1 89 89 LEU CB C 13 42.132 0.30 . . . . . . A 88 LEU CB . 36244 1 1104 . 1 . 1 89 89 LEU CG C 13 26.947 0.30 . . . . . . A 88 LEU CG . 36244 1 1105 . 1 . 1 89 89 LEU CD1 C 13 24.722 0.30 . . . . . . A 88 LEU CD1 . 36244 1 1106 . 1 . 1 89 89 LEU CD2 C 13 23.689 0.30 . . . . . . A 88 LEU CD2 . 36244 1 1107 . 1 . 1 89 89 LEU N N 15 122.193 0.30 . . . . . . A 88 LEU N . 36244 1 1108 . 1 . 1 90 90 HIS H H 1 8.129 0.03 . . . . . . A 89 HIS H . 36244 1 1109 . 1 . 1 90 90 HIS HA H 1 4.517 0.03 . . . . . . A 89 HIS HA . 36244 1 1110 . 1 . 1 90 90 HIS HB2 H 1 3.143 0.03 . . . . . . A 89 HIS HB2 . 36244 1 1111 . 1 . 1 90 90 HIS HB3 H 1 3.080 0.03 . . . . . . A 89 HIS HB3 . 36244 1 1112 . 1 . 1 90 90 HIS HD2 H 1 7.001 0.03 . . . . . . A 89 HIS HD2 . 36244 1 1113 . 1 . 1 90 90 HIS HE1 H 1 7.846 0.03 . . . . . . A 89 HIS HE1 . 36244 1 1114 . 1 . 1 90 90 HIS C C 13 175.820 0.30 . . . . . . A 89 HIS C . 36244 1 1115 . 1 . 1 90 90 HIS CA C 13 56.952 0.30 . . . . . . A 89 HIS CA . 36244 1 1116 . 1 . 1 90 90 HIS CB C 13 30.582 0.30 . . . . . . A 89 HIS CB . 36244 1 1117 . 1 . 1 90 90 HIS CD2 C 13 119.869 0.30 . . . . . . A 89 HIS CD2 . 36244 1 1118 . 1 . 1 90 90 HIS CE1 C 13 138.232 0.30 . . . . . . A 89 HIS CE1 . 36244 1 1119 . 1 . 1 90 90 HIS N N 15 118.831 0.30 . . . . . . A 89 HIS N . 36244 1 1120 . 1 . 1 91 91 GLU H H 1 8.172 0.03 . . . . . . A 90 GLU H . 36244 1 1121 . 1 . 1 91 91 GLU HA H 1 4.191 0.03 . . . . . . A 90 GLU HA . 36244 1 1122 . 1 . 1 91 91 GLU HB2 H 1 2.019 0.03 . . . . . . A 90 GLU HB2 . 36244 1 1123 . 1 . 1 91 91 GLU HB3 H 1 1.950 0.03 . . . . . . A 90 GLU HB3 . 36244 1 1124 . 1 . 1 91 91 GLU HG2 H 1 2.193 0.03 . . . . . . A 90 GLU HG2 . 36244 1 1125 . 1 . 1 91 91 GLU C C 13 176.737 0.30 . . . . . . A 90 GLU C . 36244 1 1126 . 1 . 1 91 91 GLU CA C 13 57.111 0.30 . . . . . . A 90 GLU CA . 36244 1 1127 . 1 . 1 91 91 GLU CB C 13 30.225 0.30 . . . . . . A 90 GLU CB . 36244 1 1128 . 1 . 1 91 91 GLU CG C 13 36.335 0.30 . . . . . . A 90 GLU CG . 36244 1 1129 . 1 . 1 91 91 GLU N N 15 120.857 0.30 . . . . . . A 90 GLU N . 36244 1 1130 . 1 . 1 92 92 ARG H H 1 8.247 0.03 . . . . . . A 91 ARG H . 36244 1 1131 . 1 . 1 92 92 ARG HA H 1 4.293 0.03 . . . . . . A 91 ARG HA . 36244 1 1132 . 1 . 1 92 92 ARG HB2 H 1 1.848 0.03 . . . . . . A 91 ARG HB2 . 36244 1 1133 . 1 . 1 92 92 ARG HB3 H 1 1.792 0.03 . . . . . . A 91 ARG HB3 . 36244 1 1134 . 1 . 1 92 92 ARG HG2 H 1 1.646 0.03 . . . . . . A 91 ARG HG2 . 36244 1 1135 . 1 . 1 92 92 ARG HG3 H 1 1.588 0.03 . . . . . . A 91 ARG HG3 . 36244 1 1136 . 1 . 1 92 92 ARG HD2 H 1 3.166 0.03 . . . . . . A 91 ARG HD2 . 36244 1 1137 . 1 . 1 92 92 ARG C C 13 176.678 0.30 . . . . . . A 91 ARG C . 36244 1 1138 . 1 . 1 92 92 ARG CA C 13 56.558 0.30 . . . . . . A 91 ARG CA . 36244 1 1139 . 1 . 1 92 92 ARG CB C 13 30.645 0.30 . . . . . . A 91 ARG CB . 36244 1 1140 . 1 . 1 92 92 ARG CG C 13 27.188 0.30 . . . . . . A 91 ARG CG . 36244 1 1141 . 1 . 1 92 92 ARG CD C 13 43.435 0.30 . . . . . . A 91 ARG CD . 36244 1 1142 . 1 . 1 92 92 ARG N N 15 121.437 0.30 . . . . . . A 91 ARG N . 36244 1 1143 . 1 . 1 93 93 ILE H H 1 8.131 0.03 . . . . . . A 92 ILE H . 36244 1 1144 . 1 . 1 93 93 ILE HA H 1 4.092 0.03 . . . . . . A 92 ILE HA . 36244 1 1145 . 1 . 1 93 93 ILE HB H 1 1.854 0.03 . . . . . . A 92 ILE HB . 36244 1 1146 . 1 . 1 93 93 ILE HG12 H 1 1.480 0.03 . . . . . . A 92 ILE HG12 . 36244 1 1147 . 1 . 1 93 93 ILE HG13 H 1 1.174 0.03 . . . . . . A 92 ILE HG13 . 36244 1 1148 . 1 . 1 93 93 ILE HG21 H 1 0.880 0.03 . . . . . . A 92 ILE HG21 . 36244 1 1149 . 1 . 1 93 93 ILE HG22 H 1 0.880 0.03 . . . . . . A 92 ILE HG22 . 36244 1 1150 . 1 . 1 93 93 ILE HG23 H 1 0.880 0.03 . . . . . . A 92 ILE HG23 . 36244 1 1151 . 1 . 1 93 93 ILE HD11 H 1 0.825 0.03 . . . . . . A 92 ILE HD11 . 36244 1 1152 . 1 . 1 93 93 ILE HD12 H 1 0.825 0.03 . . . . . . A 92 ILE HD12 . 36244 1 1153 . 1 . 1 93 93 ILE HD13 H 1 0.825 0.03 . . . . . . A 92 ILE HD13 . 36244 1 1154 . 1 . 1 93 93 ILE C C 13 176.648 0.30 . . . . . . A 92 ILE C . 36244 1 1155 . 1 . 1 93 93 ILE CA C 13 61.579 0.30 . . . . . . A 92 ILE CA . 36244 1 1156 . 1 . 1 93 93 ILE CB C 13 38.508 0.30 . . . . . . A 92 ILE CB . 36244 1 1157 . 1 . 1 93 93 ILE CG1 C 13 27.571 0.30 . . . . . . A 92 ILE CG1 . 36244 1 1158 . 1 . 1 93 93 ILE CG2 C 13 17.470 0.30 . . . . . . A 92 ILE CG2 . 36244 1 1159 . 1 . 1 93 93 ILE CD1 C 13 12.906 0.30 . . . . . . A 92 ILE CD1 . 36244 1 1160 . 1 . 1 93 93 ILE N N 15 121.823 0.30 . . . . . . A 92 ILE N . 36244 1 1161 . 1 . 1 94 94 GLN H H 1 8.417 0.03 . . . . . . A 93 GLN H . 36244 1 1162 . 1 . 1 94 94 GLN HA H 1 4.335 0.03 . . . . . . A 93 GLN HA . 36244 1 1163 . 1 . 1 94 94 GLN HB2 H 1 2.105 0.03 . . . . . . A 93 GLN HB2 . 36244 1 1164 . 1 . 1 94 94 GLN HB3 H 1 1.983 0.03 . . . . . . A 93 GLN HB3 . 36244 1 1165 . 1 . 1 94 94 GLN HG2 H 1 2.345 0.03 . . . . . . A 93 GLN HG2 . 36244 1 1166 . 1 . 1 94 94 GLN C C 13 176.258 0.30 . . . . . . A 93 GLN C . 36244 1 1167 . 1 . 1 94 94 GLN CA C 13 56.129 0.30 . . . . . . A 93 GLN CA . 36244 1 1168 . 1 . 1 94 94 GLN CB C 13 29.357 0.30 . . . . . . A 93 GLN CB . 36244 1 1169 . 1 . 1 94 94 GLN CG C 13 33.816 0.30 . . . . . . A 93 GLN CG . 36244 1 1170 . 1 . 1 94 94 GLN N N 15 123.952 0.30 . . . . . . A 93 GLN N . 36244 1 1171 . 1 . 1 95 95 SER H H 1 8.338 0.03 . . . . . . A 94 SER H . 36244 1 1172 . 1 . 1 95 95 SER C C 13 174.739 0.30 . . . . . . A 94 SER C . 36244 1 1173 . 1 . 1 95 95 SER CA C 13 58.796 0.30 . . . . . . A 94 SER CA . 36244 1 1174 . 1 . 1 95 95 SER CB C 13 63.907 0.30 . . . . . . A 94 SER CB . 36244 1 1175 . 1 . 1 95 95 SER N N 15 117.132 0.30 . . . . . . A 94 SER N . 36244 1 1176 . 1 . 1 97 97 SER HA H 1 4.453 0.03 . . . . . . A 96 SER HA . 36244 1 1177 . 1 . 1 97 97 SER HB2 H 1 3.897 0.03 . . . . . . A 96 SER HB2 . 36244 1 1178 . 1 . 1 97 97 SER C C 13 174.929 0.30 . . . . . . A 96 SER C . 36244 1 1179 . 1 . 1 97 97 SER CA C 13 58.773 0.30 . . . . . . A 96 SER CA . 36244 1 1180 . 1 . 1 97 97 SER CB C 13 63.767 0.30 . . . . . . A 96 SER CB . 36244 1 1181 . 1 . 1 98 98 MET H H 1 8.334 0.03 . . . . . . A 97 MET H . 36244 1 1182 . 1 . 1 98 98 MET HA H 1 4.437 0.03 . . . . . . A 97 MET HA . 36244 1 1183 . 1 . 1 98 98 MET HB2 H 1 2.105 0.03 . . . . . . A 97 MET HB2 . 36244 1 1184 . 1 . 1 98 98 MET HB3 H 1 2.018 0.03 . . . . . . A 97 MET HB3 . 36244 1 1185 . 1 . 1 98 98 MET HG2 H 1 2.601 0.03 . . . . . . A 97 MET HG2 . 36244 1 1186 . 1 . 1 98 98 MET HG3 H 1 2.536 0.03 . . . . . . A 97 MET HG3 . 36244 1 1187 . 1 . 1 98 98 MET C C 13 176.311 0.30 . . . . . . A 97 MET C . 36244 1 1188 . 1 . 1 98 98 MET CA C 13 56.092 0.30 . . . . . . A 97 MET CA . 36244 1 1189 . 1 . 1 98 98 MET CB C 13 32.672 0.30 . . . . . . A 97 MET CB . 36244 1 1190 . 1 . 1 98 98 MET CG C 13 32.087 0.30 . . . . . . A 97 MET CG . 36244 1 1191 . 1 . 1 98 98 MET N N 15 122.105 0.30 . . . . . . A 97 MET N . 36244 1 1192 . 1 . 1 99 99 ASP H H 1 8.217 0.03 . . . . . . A 98 ASP H . 36244 1 1193 . 1 . 1 99 99 ASP HA H 1 4.522 0.03 . . . . . . A 98 ASP HA . 36244 1 1194 . 1 . 1 99 99 ASP HB2 H 1 2.709 0.03 . . . . . . A 98 ASP HB2 . 36244 1 1195 . 1 . 1 99 99 ASP HB3 H 1 2.607 0.03 . . . . . . A 98 ASP HB3 . 36244 1 1196 . 1 . 1 99 99 ASP C C 13 176.501 0.30 . . . . . . A 98 ASP C . 36244 1 1197 . 1 . 1 99 99 ASP CA C 13 54.931 0.30 . . . . . . A 98 ASP CA . 36244 1 1198 . 1 . 1 99 99 ASP CB C 13 41.078 0.30 . . . . . . A 98 ASP CB . 36244 1 1199 . 1 . 1 99 99 ASP N N 15 121.037 0.30 . . . . . . A 98 ASP N . 36244 1 1200 . 1 . 1 100 100 ALA H H 1 8.171 0.03 . . . . . . A 99 ALA H . 36244 1 1201 . 1 . 1 100 100 ALA HA H 1 4.224 0.03 . . . . . . A 99 ALA HA . 36244 1 1202 . 1 . 1 100 100 ALA HB1 H 1 1.406 0.03 . . . . . . A 99 ALA HB1 . 36244 1 1203 . 1 . 1 100 100 ALA HB2 H 1 1.406 0.03 . . . . . . A 99 ALA HB2 . 36244 1 1204 . 1 . 1 100 100 ALA HB3 H 1 1.406 0.03 . . . . . . A 99 ALA HB3 . 36244 1 1205 . 1 . 1 100 100 ALA C C 13 178.647 0.30 . . . . . . A 99 ALA C . 36244 1 1206 . 1 . 1 100 100 ALA CA C 13 53.450 0.30 . . . . . . A 99 ALA CA . 36244 1 1207 . 1 . 1 100 100 ALA CB C 13 18.960 0.30 . . . . . . A 99 ALA CB . 36244 1 1208 . 1 . 1 100 100 ALA N N 15 124.566 0.30 . . . . . . A 99 ALA N . 36244 1 1209 . 1 . 1 101 101 LYS H H 1 8.189 0.03 . . . . . . A 100 LYS H . 36244 1 1210 . 1 . 1 101 101 LYS HA H 1 4.195 0.03 . . . . . . A 100 LYS HA . 36244 1 1211 . 1 . 1 101 101 LYS HB2 H 1 1.838 0.03 . . . . . . A 100 LYS HB2 . 36244 1 1212 . 1 . 1 101 101 LYS HB3 H 1 1.838 0.03 . . . . . . A 100 LYS HB3 . 36244 1 1213 . 1 . 1 101 101 LYS HG2 H 1 1.442 0.03 . . . . . . A 100 LYS HG2 . 36244 1 1214 . 1 . 1 101 101 LYS HE2 H 1 2.973 0.03 . . . . . . A 100 LYS HE2 . 36244 1 1215 . 1 . 1 101 101 LYS C C 13 177.403 0.30 . . . . . . A 100 LYS C . 36244 1 1216 . 1 . 1 101 101 LYS CA C 13 57.036 0.30 . . . . . . A 100 LYS CA . 36244 1 1217 . 1 . 1 101 101 LYS CB C 13 32.437 0.30 . . . . . . A 100 LYS CB . 36244 1 1218 . 1 . 1 101 101 LYS CG C 13 24.841 0.30 . . . . . . A 100 LYS CG . 36244 1 1219 . 1 . 1 101 101 LYS CD C 13 28.902 0.30 . . . . . . A 100 LYS CD . 36244 1 1220 . 1 . 1 101 101 LYS CE C 13 42.134 0.30 . . . . . . A 100 LYS CE . 36244 1 1221 . 1 . 1 101 101 LYS N N 15 119.628 0.30 . . . . . . A 100 LYS N . 36244 1 1222 . 1 . 1 102 102 LEU H H 1 8.038 0.03 . . . . . . A 101 LEU H . 36244 1 1223 . 1 . 1 102 102 LEU HA H 1 4.236 0.03 . . . . . . A 101 LEU HA . 36244 1 1224 . 1 . 1 102 102 LEU HB2 H 1 1.713 0.03 . . . . . . A 101 LEU HB2 . 36244 1 1225 . 1 . 1 102 102 LEU HB3 H 1 1.585 0.03 . . . . . . A 101 LEU HB3 . 36244 1 1226 . 1 . 1 102 102 LEU HG H 1 1.650 0.03 . . . . . . A 101 LEU HG . 36244 1 1227 . 1 . 1 102 102 LEU HD11 H 1 0.915 0.03 . . . . . . A 101 LEU HD11 . 36244 1 1228 . 1 . 1 102 102 LEU HD12 H 1 0.915 0.03 . . . . . . A 101 LEU HD12 . 36244 1 1229 . 1 . 1 102 102 LEU HD13 H 1 0.915 0.03 . . . . . . A 101 LEU HD13 . 36244 1 1230 . 1 . 1 102 102 LEU HD21 H 1 0.858 0.03 . . . . . . A 101 LEU HD21 . 36244 1 1231 . 1 . 1 102 102 LEU HD22 H 1 0.858 0.03 . . . . . . A 101 LEU HD22 . 36244 1 1232 . 1 . 1 102 102 LEU HD23 H 1 0.858 0.03 . . . . . . A 101 LEU HD23 . 36244 1 1233 . 1 . 1 102 102 LEU C C 13 178.409 0.30 . . . . . . A 101 LEU C . 36244 1 1234 . 1 . 1 102 102 LEU CA C 13 56.066 0.30 . . . . . . A 101 LEU CA . 36244 1 1235 . 1 . 1 102 102 LEU CB C 13 41.972 0.30 . . . . . . A 101 LEU CB . 36244 1 1236 . 1 . 1 102 102 LEU CG C 13 27.091 0.30 . . . . . . A 101 LEU CG . 36244 1 1237 . 1 . 1 102 102 LEU CD1 C 13 24.911 0.30 . . . . . . A 101 LEU CD1 . 36244 1 1238 . 1 . 1 102 102 LEU CD2 C 13 23.441 0.30 . . . . . . A 101 LEU CD2 . 36244 1 1239 . 1 . 1 102 102 LEU N N 15 121.701 0.30 . . . . . . A 101 LEU N . 36244 1 1240 . 1 . 1 103 103 GLU H H 1 8.270 0.03 . . . . . . A 102 GLU H . 36244 1 1241 . 1 . 1 103 103 GLU HA H 1 4.139 0.03 . . . . . . A 102 GLU HA . 36244 1 1242 . 1 . 1 103 103 GLU HB2 H 1 2.033 0.03 . . . . . . A 102 GLU HB2 . 36244 1 1243 . 1 . 1 103 103 GLU HB3 H 1 1.963 0.03 . . . . . . A 102 GLU HB3 . 36244 1 1244 . 1 . 1 103 103 GLU HG2 H 1 2.279 0.03 . . . . . . A 102 GLU HG2 . 36244 1 1245 . 1 . 1 103 103 GLU HG3 H 1 2.279 0.03 . . . . . . A 102 GLU HG3 . 36244 1 1246 . 1 . 1 103 103 GLU C C 13 176.970 0.30 . . . . . . A 102 GLU C . 36244 1 1247 . 1 . 1 103 103 GLU CA C 13 57.522 0.30 . . . . . . A 102 GLU CA . 36244 1 1248 . 1 . 1 103 103 GLU CB C 13 30.042 0.30 . . . . . . A 102 GLU CB . 36244 1 1249 . 1 . 1 103 103 GLU CG C 13 36.210 0.30 . . . . . . A 102 GLU CG . 36244 1 1250 . 1 . 1 103 103 GLU N N 15 120.997 0.30 . . . . . . A 102 GLU N . 36244 1 1251 . 1 . 1 104 104 ALA H H 1 8.023 0.03 . . . . . . A 103 ALA H . 36244 1 1252 . 1 . 1 104 104 ALA HA H 1 4.266 0.03 . . . . . . A 103 ALA HA . 36244 1 1253 . 1 . 1 104 104 ALA HB1 H 1 1.411 0.03 . . . . . . A 103 ALA HB1 . 36244 1 1254 . 1 . 1 104 104 ALA HB2 H 1 1.411 0.03 . . . . . . A 103 ALA HB2 . 36244 1 1255 . 1 . 1 104 104 ALA HB3 H 1 1.411 0.03 . . . . . . A 103 ALA HB3 . 36244 1 1256 . 1 . 1 104 104 ALA C C 13 178.366 0.30 . . . . . . A 103 ALA C . 36244 1 1257 . 1 . 1 104 104 ALA CA C 13 53.083 0.30 . . . . . . A 103 ALA CA . 36244 1 1258 . 1 . 1 104 104 ALA CB C 13 18.917 0.30 . . . . . . A 103 ALA CB . 36244 1 1259 . 1 . 1 104 104 ALA N N 15 123.142 0.30 . . . . . . A 103 ALA N . 36244 1 1260 . 1 . 1 105 105 LEU H H 1 7.933 0.03 . . . . . . A 104 LEU H . 36244 1 1261 . 1 . 1 105 105 LEU HA H 1 4.250 0.03 . . . . . . A 104 LEU HA . 36244 1 1262 . 1 . 1 105 105 LEU HB2 H 1 1.714 0.03 . . . . . . A 104 LEU HB2 . 36244 1 1263 . 1 . 1 105 105 LEU HB3 H 1 1.588 0.03 . . . . . . A 104 LEU HB3 . 36244 1 1264 . 1 . 1 105 105 LEU HG H 1 1.693 0.03 . . . . . . A 104 LEU HG . 36244 1 1265 . 1 . 1 105 105 LEU HD11 H 1 0.916 0.03 . . . . . . A 104 LEU HD11 . 36244 1 1266 . 1 . 1 105 105 LEU HD12 H 1 0.916 0.03 . . . . . . A 104 LEU HD12 . 36244 1 1267 . 1 . 1 105 105 LEU HD13 H 1 0.916 0.03 . . . . . . A 104 LEU HD13 . 36244 1 1268 . 1 . 1 105 105 LEU C C 13 177.987 0.30 . . . . . . A 104 LEU C . 36244 1 1269 . 1 . 1 105 105 LEU CA C 13 55.786 0.30 . . . . . . A 104 LEU CA . 36244 1 1270 . 1 . 1 105 105 LEU CB C 13 42.017 0.30 . . . . . . A 104 LEU CB . 36244 1 1271 . 1 . 1 105 105 LEU CG C 13 26.941 0.30 . . . . . . A 104 LEU CG . 36244 1 1272 . 1 . 1 105 105 LEU CD1 C 13 24.937 0.30 . . . . . . A 104 LEU CD1 . 36244 1 1273 . 1 . 1 105 105 LEU CD2 C 13 23.301 0.30 . . . . . . A 104 LEU CD2 . 36244 1 1274 . 1 . 1 105 105 LEU N N 15 119.890 0.30 . . . . . . A 104 LEU N . 36244 1 1275 . 1 . 1 106 106 LYS H H 1 7.996 0.03 . . . . . . A 105 LYS H . 36244 1 1276 . 1 . 1 106 106 LYS HA H 1 4.204 0.03 . . . . . . A 105 LYS HA . 36244 1 1277 . 1 . 1 106 106 LYS HB2 H 1 1.818 0.03 . . . . . . A 105 LYS HB2 . 36244 1 1278 . 1 . 1 106 106 LYS HG2 H 1 1.465 0.03 . . . . . . A 105 LYS HG2 . 36244 1 1279 . 1 . 1 106 106 LYS HD2 H 1 1.663 0.03 . . . . . . A 105 LYS HD2 . 36244 1 1280 . 1 . 1 106 106 LYS C C 13 176.731 0.30 . . . . . . A 105 LYS C . 36244 1 1281 . 1 . 1 106 106 LYS CA C 13 57.204 0.30 . . . . . . A 105 LYS CA . 36244 1 1282 . 1 . 1 106 106 LYS CB C 13 32.905 0.30 . . . . . . A 105 LYS CB . 36244 1 1283 . 1 . 1 106 106 LYS CG C 13 24.918 0.30 . . . . . . A 105 LYS CG . 36244 1 1284 . 1 . 1 106 106 LYS CD C 13 29.161 0.30 . . . . . . A 105 LYS CD . 36244 1 1285 . 1 . 1 106 106 LYS N N 15 121.024 0.30 . . . . . . A 105 LYS N . 36244 1 1286 . 1 . 1 107 107 ASP H H 1 8.165 0.03 . . . . . . A 106 ASP H . 36244 1 1287 . 1 . 1 107 107 ASP HA H 1 4.577 0.03 . . . . . . A 106 ASP HA . 36244 1 1288 . 1 . 1 107 107 ASP HB2 H 1 2.735 0.03 . . . . . . A 106 ASP HB2 . 36244 1 1289 . 1 . 1 107 107 ASP HB3 H 1 2.622 0.03 . . . . . . A 106 ASP HB3 . 36244 1 1290 . 1 . 1 107 107 ASP C C 13 176.817 0.30 . . . . . . A 106 ASP C . 36244 1 1291 . 1 . 1 107 107 ASP CA C 13 54.649 0.30 . . . . . . A 106 ASP CA . 36244 1 1292 . 1 . 1 107 107 ASP CB C 13 41.048 0.30 . . . . . . A 106 ASP CB . 36244 1 1293 . 1 . 1 107 107 ASP N N 15 120.523 0.30 . . . . . . A 106 ASP N . 36244 1 1294 . 1 . 1 108 108 LEU H H 1 8.091 0.03 . . . . . . A 107 LEU H . 36244 1 1295 . 1 . 1 108 108 LEU HA H 1 4.225 0.03 . . . . . . A 107 LEU HA . 36244 1 1296 . 1 . 1 108 108 LEU HB2 H 1 1.690 0.03 . . . . . . A 107 LEU HB2 . 36244 1 1297 . 1 . 1 108 108 LEU HB3 H 1 1.606 0.03 . . . . . . A 107 LEU HB3 . 36244 1 1298 . 1 . 1 108 108 LEU HG H 1 1.670 0.03 . . . . . . A 107 LEU HG . 36244 1 1299 . 1 . 1 108 108 LEU C C 13 178.052 0.30 . . . . . . A 107 LEU C . 36244 1 1300 . 1 . 1 108 108 LEU CA C 13 56.136 0.30 . . . . . . A 107 LEU CA . 36244 1 1301 . 1 . 1 108 108 LEU CB C 13 42.070 0.30 . . . . . . A 107 LEU CB . 36244 1 1302 . 1 . 1 108 108 LEU CG C 13 27.189 0.30 . . . . . . A 107 LEU CG . 36244 1 1303 . 1 . 1 108 108 LEU CD1 C 13 24.911 0.30 . . . . . . A 107 LEU CD1 . 36244 1 1304 . 1 . 1 108 108 LEU CD2 C 13 23.441 0.30 . . . . . . A 107 LEU CD2 . 36244 1 1305 . 1 . 1 108 108 LEU N N 15 122.571 0.30 . . . . . . A 107 LEU N . 36244 1 1306 . 1 . 1 109 109 ALA H H 1 8.184 0.03 . . . . . . A 108 ALA H . 36244 1 1307 . 1 . 1 109 109 ALA HA H 1 4.260 0.03 . . . . . . A 108 ALA HA . 36244 1 1308 . 1 . 1 109 109 ALA HB1 H 1 1.415 0.03 . . . . . . A 108 ALA HB1 . 36244 1 1309 . 1 . 1 109 109 ALA HB2 H 1 1.415 0.03 . . . . . . A 108 ALA HB2 . 36244 1 1310 . 1 . 1 109 109 ALA HB3 H 1 1.415 0.03 . . . . . . A 108 ALA HB3 . 36244 1 1311 . 1 . 1 109 109 ALA C C 13 178.405 0.30 . . . . . . A 108 ALA C . 36244 1 1312 . 1 . 1 109 109 ALA CA C 13 53.368 0.30 . . . . . . A 108 ALA CA . 36244 1 1313 . 1 . 1 109 109 ALA CB C 13 18.898 0.30 . . . . . . A 108 ALA CB . 36244 1 1314 . 1 . 1 109 109 ALA N N 15 123.098 0.30 . . . . . . A 108 ALA N . 36244 1 1315 . 1 . 1 110 110 SER H H 1 7.980 0.03 . . . . . . A 109 SER H . 36244 1 1316 . 1 . 1 110 110 SER HA H 1 4.372 0.03 . . . . . . A 109 SER HA . 36244 1 1317 . 1 . 1 110 110 SER HB2 H 1 3.896 0.03 . . . . . . A 109 SER HB2 . 36244 1 1318 . 1 . 1 110 110 SER C C 13 174.736 0.30 . . . . . . A 109 SER C . 36244 1 1319 . 1 . 1 110 110 SER CA C 13 58.791 0.30 . . . . . . A 109 SER CA . 36244 1 1320 . 1 . 1 110 110 SER CB C 13 63.792 0.30 . . . . . . A 109 SER CB . 36244 1 1321 . 1 . 1 110 110 SER N N 15 113.685 0.30 . . . . . . A 109 SER N . 36244 1 1322 . 1 . 1 111 111 LEU H H 1 7.958 0.03 . . . . . . A 110 LEU H . 36244 1 1323 . 1 . 1 111 111 LEU HA H 1 4.357 0.03 . . . . . . A 110 LEU HA . 36244 1 1324 . 1 . 1 111 111 LEU HB2 H 1 1.680 0.03 . . . . . . A 110 LEU HB2 . 36244 1 1325 . 1 . 1 111 111 LEU HB3 H 1 1.608 0.03 . . . . . . A 110 LEU HB3 . 36244 1 1326 . 1 . 1 111 111 LEU HG H 1 1.651 0.03 . . . . . . A 110 LEU HG . 36244 1 1327 . 1 . 1 111 111 LEU C C 13 177.435 0.30 . . . . . . A 110 LEU C . 36244 1 1328 . 1 . 1 111 111 LEU CA C 13 55.362 0.30 . . . . . . A 110 LEU CA . 36244 1 1329 . 1 . 1 111 111 LEU CB C 13 42.379 0.30 . . . . . . A 110 LEU CB . 36244 1 1330 . 1 . 1 111 111 LEU CG C 13 26.868 0.30 . . . . . . A 110 LEU CG . 36244 1 1331 . 1 . 1 111 111 LEU CD1 C 13 24.981 0.30 . . . . . . A 110 LEU CD1 . 36244 1 1332 . 1 . 1 111 111 LEU CD2 C 13 23.301 0.30 . . . . . . A 110 LEU CD2 . 36244 1 1333 . 1 . 1 111 111 LEU N N 15 123.213 0.30 . . . . . . A 110 LEU N . 36244 1 1334 . 1 . 1 112 112 SER H H 1 8.137 0.03 . . . . . . A 111 SER H . 36244 1 1335 . 1 . 1 112 112 SER HA H 1 4.439 0.03 . . . . . . A 111 SER HA . 36244 1 1336 . 1 . 1 112 112 SER HB2 H 1 3.861 0.03 . . . . . . A 111 SER HB2 . 36244 1 1337 . 1 . 1 112 112 SER C C 13 174.320 0.30 . . . . . . A 111 SER C . 36244 1 1338 . 1 . 1 112 112 SER CA C 13 58.278 0.30 . . . . . . A 111 SER CA . 36244 1 1339 . 1 . 1 112 112 SER CB C 13 63.907 0.30 . . . . . . A 111 SER CB . 36244 1 1340 . 1 . 1 112 112 SER N N 15 116.093 0.30 . . . . . . A 111 SER N . 36244 1 1341 . 1 . 1 113 113 ARG H H 1 8.321 0.03 . . . . . . A 112 ARG H . 36244 1 1342 . 1 . 1 113 113 ARG HA H 1 4.411 0.03 . . . . . . A 112 ARG HA . 36244 1 1343 . 1 . 1 113 113 ARG HB2 H 1 1.918 0.03 . . . . . . A 112 ARG HB2 . 36244 1 1344 . 1 . 1 113 113 ARG HB3 H 1 1.740 0.03 . . . . . . A 112 ARG HB3 . 36244 1 1345 . 1 . 1 113 113 ARG HG2 H 1 1.649 0.03 . . . . . . A 112 ARG HG2 . 36244 1 1346 . 1 . 1 113 113 ARG HD2 H 1 3.192 0.03 . . . . . . A 112 ARG HD2 . 36244 1 1347 . 1 . 1 113 113 ARG C C 13 175.093 0.30 . . . . . . A 112 ARG C . 36244 1 1348 . 1 . 1 113 113 ARG CA C 13 55.880 0.30 . . . . . . A 112 ARG CA . 36244 1 1349 . 1 . 1 113 113 ARG CB C 13 31.018 0.30 . . . . . . A 112 ARG CB . 36244 1 1350 . 1 . 1 113 113 ARG CG C 13 26.871 0.30 . . . . . . A 112 ARG CG . 36244 1 1351 . 1 . 1 113 113 ARG CD C 13 43.394 0.30 . . . . . . A 112 ARG CD . 36244 1 1352 . 1 . 1 113 113 ARG N N 15 123.608 0.30 . . . . . . A 112 ARG N . 36244 1 1353 . 1 . 1 114 114 ASP H H 1 7.947 0.03 . . . . . . A 113 ASP H . 36244 1 1354 . 1 . 1 114 114 ASP HA H 1 4.372 0.03 . . . . . . A 113 ASP HA . 36244 1 1355 . 1 . 1 114 114 ASP HB2 H 1 2.520 0.03 . . . . . . A 113 ASP HB2 . 36244 1 1356 . 1 . 1 114 114 ASP HB3 H 1 2.520 0.03 . . . . . . A 113 ASP HB3 . 36244 1 1357 . 1 . 1 114 114 ASP C C 13 180.839 0.30 . . . . . . A 113 ASP C . 36244 1 1358 . 1 . 1 114 114 ASP CA C 13 55.923 0.30 . . . . . . A 113 ASP CA . 36244 1 1359 . 1 . 1 114 114 ASP CB C 13 42.266 0.30 . . . . . . A 113 ASP CB . 36244 1 1360 . 1 . 1 114 114 ASP N N 15 126.647 0.30 . . . . . . A 113 ASP N . 36244 1 stop_ save_