data_30023 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30023 _Entry.Title ; Solution structure of SdrG from Sphingomonas melonis Fr1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-25 _Entry.Accession_date 2016-02-25 _Entry.Last_release_date 2016-07-13 _Entry.Original_release_date 2016-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Campagne S. . . . 30023 2 J. Vorholt J. A. . . 30023 3 F.H.-T. Allain . . . . 30023 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 30023 'Single domain response regulator FAT GUY Familly' . 30023 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30023 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 502 30023 '15N chemical shifts' 123 30023 '1H chemical shifts' 860 30023 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 2 . . 2016-11-21 2016-02-25 update BMRB 'update entry citation' 30023 1 . . 2016-07-13 2016-02-25 original author 'original release' 30023 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30025 'BeF3-activated conformation of SdrG from Pseudomonas melonis Fr1' 30023 PDB 5IEB 'BMRB Entry Tracking System' 30023 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30023 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27396826 _Citation.Full_citation . _Citation.Title ; Role of the PFXFATG[G/Y] Motif in the Activation of SdrG, a Response Regulator Involved in the Alphaproteobacterial General Stress Response ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 8 _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 1237 _Citation.Page_last 1247 _Citation.Year 2016 _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 Sebastien Campagne . . . . 30023 1 2 Sebastian Dintner . . . . 30023 1 3 Lisa Gottschlich . . . . 30023 1 4 Maxence Thibault . . . . 30023 1 5 Miriam Bortfeld-Miller . . . . 30023 1 6 Andreas Kaczmarczyk . . . . 30023 1 7 Anne Francez-Charlot . . . . 30023 1 8 Frederic Allain . H.-T. . . 30023 1 9 Julia Vorholt . A. . . 30023 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30023 _Assembly.ID 1 _Assembly.Name 'Sensory transduction regulatory protein' _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 . . . . . . 30023 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30023 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sensory transduction regulatory protein' _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 ; MSALTQILIVEDEPLIAMML EDFLEVLDKTPVGTVDTVAG ALARVEDGGIDAAILDVNLR GGEKSTPVAEALAARDIPFV FATGGSDDSVDSRFRDRPVL QKPFTMDGVAKALAALLVPR GSVEHHHHHH ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13892.781 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 30023 1 2 2 SER . 30023 1 3 3 ALA . 30023 1 4 4 LEU . 30023 1 5 5 THR . 30023 1 6 6 GLN . 30023 1 7 7 ILE . 30023 1 8 8 LEU . 30023 1 9 9 ILE . 30023 1 10 10 VAL . 30023 1 11 11 GLU . 30023 1 12 12 ASP . 30023 1 13 13 GLU . 30023 1 14 14 PRO . 30023 1 15 15 LEU . 30023 1 16 16 ILE . 30023 1 17 17 ALA . 30023 1 18 18 MET . 30023 1 19 19 MET . 30023 1 20 20 LEU . 30023 1 21 21 GLU . 30023 1 22 22 ASP . 30023 1 23 23 PHE . 30023 1 24 24 LEU . 30023 1 25 25 GLU . 30023 1 26 26 VAL . 30023 1 27 27 LEU . 30023 1 28 28 ASP . 30023 1 29 29 LYS . 30023 1 30 30 THR . 30023 1 31 31 PRO . 30023 1 32 32 VAL . 30023 1 33 33 GLY . 30023 1 34 34 THR . 30023 1 35 35 VAL . 30023 1 36 36 ASP . 30023 1 37 37 THR . 30023 1 38 38 VAL . 30023 1 39 39 ALA . 30023 1 40 40 GLY . 30023 1 41 41 ALA . 30023 1 42 42 LEU . 30023 1 43 43 ALA . 30023 1 44 44 ARG . 30023 1 45 45 VAL . 30023 1 46 46 GLU . 30023 1 47 47 ASP . 30023 1 48 48 GLY . 30023 1 49 49 GLY . 30023 1 50 50 ILE . 30023 1 51 51 ASP . 30023 1 52 52 ALA . 30023 1 53 53 ALA . 30023 1 54 54 ILE . 30023 1 55 55 LEU . 30023 1 56 56 ASP . 30023 1 57 57 VAL . 30023 1 58 58 ASN . 30023 1 59 59 LEU . 30023 1 60 60 ARG . 30023 1 61 61 GLY . 30023 1 62 62 GLY . 30023 1 63 63 GLU . 30023 1 64 64 LYS . 30023 1 65 65 SER . 30023 1 66 66 THR . 30023 1 67 67 PRO . 30023 1 68 68 VAL . 30023 1 69 69 ALA . 30023 1 70 70 GLU . 30023 1 71 71 ALA . 30023 1 72 72 LEU . 30023 1 73 73 ALA . 30023 1 74 74 ALA . 30023 1 75 75 ARG . 30023 1 76 76 ASP . 30023 1 77 77 ILE . 30023 1 78 78 PRO . 30023 1 79 79 PHE . 30023 1 80 80 VAL . 30023 1 81 81 PHE . 30023 1 82 82 ALA . 30023 1 83 83 THR . 30023 1 84 84 GLY . 30023 1 85 85 GLY . 30023 1 86 86 SER . 30023 1 87 87 ASP . 30023 1 88 88 ASP . 30023 1 89 89 SER . 30023 1 90 90 VAL . 30023 1 91 91 ASP . 30023 1 92 92 SER . 30023 1 93 93 ARG . 30023 1 94 94 PHE . 30023 1 95 95 ARG . 30023 1 96 96 ASP . 30023 1 97 97 ARG . 30023 1 98 98 PRO . 30023 1 99 99 VAL . 30023 1 100 100 LEU . 30023 1 101 101 GLN . 30023 1 102 102 LYS . 30023 1 103 103 PRO . 30023 1 104 104 PHE . 30023 1 105 105 THR . 30023 1 106 106 MET . 30023 1 107 107 ASP . 30023 1 108 108 GLY . 30023 1 109 109 VAL . 30023 1 110 110 ALA . 30023 1 111 111 LYS . 30023 1 112 112 ALA . 30023 1 113 113 LEU . 30023 1 114 114 ALA . 30023 1 115 115 ALA . 30023 1 116 116 LEU . 30023 1 117 117 LEU . 30023 1 118 118 VAL . 30023 1 119 . PRO . 30023 1 120 . ARG . 30023 1 121 . GLY . 30023 1 122 . SER . 30023 1 123 . VAL . 30023 1 124 . GLU . 30023 1 125 . HIS . 30023 1 126 . HIS . 30023 1 127 . HIS . 30023 1 128 . HIS . 30023 1 129 . HIS . 30023 1 130 . HIS . 30023 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30023 1 . SER 2 2 30023 1 . ALA 3 3 30023 1 . LEU 4 4 30023 1 . THR 5 5 30023 1 . GLN 6 6 30023 1 . ILE 7 7 30023 1 . LEU 8 8 30023 1 . ILE 9 9 30023 1 . VAL 10 10 30023 1 . GLU 11 11 30023 1 . ASP 12 12 30023 1 . GLU 13 13 30023 1 . PRO 14 14 30023 1 . LEU 15 15 30023 1 . ILE 16 16 30023 1 . ALA 17 17 30023 1 . MET 18 18 30023 1 . MET 19 19 30023 1 . LEU 20 20 30023 1 . GLU 21 21 30023 1 . ASP 22 22 30023 1 . PHE 23 23 30023 1 . LEU 24 24 30023 1 . GLU 25 25 30023 1 . VAL 26 26 30023 1 . LEU 27 27 30023 1 . ASP 28 28 30023 1 . LYS 29 29 30023 1 . THR 30 30 30023 1 . PRO 31 31 30023 1 . VAL 32 32 30023 1 . GLY 33 33 30023 1 . THR 34 34 30023 1 . VAL 35 35 30023 1 . ASP 36 36 30023 1 . THR 37 37 30023 1 . VAL 38 38 30023 1 . ALA 39 39 30023 1 . GLY 40 40 30023 1 . ALA 41 41 30023 1 . LEU 42 42 30023 1 . ALA 43 43 30023 1 . ARG 44 44 30023 1 . VAL 45 45 30023 1 . GLU 46 46 30023 1 . ASP 47 47 30023 1 . GLY 48 48 30023 1 . GLY 49 49 30023 1 . ILE 50 50 30023 1 . ASP 51 51 30023 1 . ALA 52 52 30023 1 . ALA 53 53 30023 1 . ILE 54 54 30023 1 . LEU 55 55 30023 1 . ASP 56 56 30023 1 . VAL 57 57 30023 1 . ASN 58 58 30023 1 . LEU 59 59 30023 1 . ARG 60 60 30023 1 . GLY 61 61 30023 1 . GLY 62 62 30023 1 . GLU 63 63 30023 1 . LYS 64 64 30023 1 . SER 65 65 30023 1 . THR 66 66 30023 1 . PRO 67 67 30023 1 . VAL 68 68 30023 1 . ALA 69 69 30023 1 . GLU 70 70 30023 1 . ALA 71 71 30023 1 . LEU 72 72 30023 1 . ALA 73 73 30023 1 . ALA 74 74 30023 1 . ARG 75 75 30023 1 . ASP 76 76 30023 1 . ILE 77 77 30023 1 . PRO 78 78 30023 1 . PHE 79 79 30023 1 . VAL 80 80 30023 1 . PHE 81 81 30023 1 . ALA 82 82 30023 1 . THR 83 83 30023 1 . GLY 84 84 30023 1 . GLY 85 85 30023 1 . SER 86 86 30023 1 . ASP 87 87 30023 1 . ASP 88 88 30023 1 . SER 89 89 30023 1 . VAL 90 90 30023 1 . ASP 91 91 30023 1 . SER 92 92 30023 1 . ARG 93 93 30023 1 . PHE 94 94 30023 1 . ARG 95 95 30023 1 . ASP 96 96 30023 1 . ARG 97 97 30023 1 . PRO 98 98 30023 1 . VAL 99 99 30023 1 . LEU 100 100 30023 1 . GLN 101 101 30023 1 . LYS 102 102 30023 1 . PRO 103 103 30023 1 . PHE 104 104 30023 1 . THR 105 105 30023 1 . MET 106 106 30023 1 . ASP 107 107 30023 1 . GLY 108 108 30023 1 . VAL 109 109 30023 1 . ALA 110 110 30023 1 . LYS 111 111 30023 1 . ALA 112 112 30023 1 . LEU 113 113 30023 1 . ALA 114 114 30023 1 . ALA 115 115 30023 1 . LEU 116 116 30023 1 . LEU 117 117 30023 1 . VAL 118 118 30023 1 . PRO 119 119 30023 1 . ARG 120 120 30023 1 . GLY 121 121 30023 1 . SER 122 122 30023 1 . VAL 123 123 30023 1 . GLU 124 124 30023 1 . HIS 125 125 30023 1 . HIS 126 126 30023 1 . HIS 127 127 30023 1 . HIS 128 128 30023 1 . HIS 129 129 30023 1 . HIS 130 130 30023 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 30023 _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 . 1090317 . . 'Sphingomonas melonis FR1' a-proteobacteria . . Bacteria . Sphingomonas 'Sphingomonas melonis' . . . . . . . . . . . SR41_04275 . 30023 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 30023 _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' . . 562 Escherichia coli . . . . . . . . . . 30023 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30023 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] SdrG, 10 mM NaPO4, 50 mM NaCl, 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 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30023 1 2 NaPO4 'natural abundance' . . . . . . 10 . . mM . . . . 30023 1 3 SdrG '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30023 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30023 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30023 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 30023 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30023 1 pH 6.5 . pH 30023 1 pressure 1 . atm 30023 1 temperature 303 . K 30023 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30023 _Software.ID 1 _Software.Name AMBER _Software.Version 12 _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' . . 30023 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30023 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30023 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30023 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30023 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30023 _Software.ID 3 _Software.Name CYANA _Software.Version 3.96 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P. Gunther' . . 30023 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30023 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30023 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30023 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30023 4 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 30023 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryo probbed' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30023 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryo probbed' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _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 30023 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 500 . . . 30023 1 2 NMR_spectrometer_2 Bruker AvanceII . 900 . . . 30023 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 30023 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30023 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30023 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30023 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30023 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30023 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30023 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30023 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30023 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30023 1 10 '1D H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30023 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 30023 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.25144953 . . . . . 30023 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30023 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30023 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 30023 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 10 '1D H' . . . 30023 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30023 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA HA H 1 4.251 0.020 . 1 . . . A 3 ALA HA . 30023 1 2 . 1 1 3 3 ALA HB1 H 1 1.280 0.020 . 1 . . . A 3 ALA HB1 . 30023 1 3 . 1 1 3 3 ALA HB2 H 1 1.280 0.020 . 1 . . . A 3 ALA HB2 . 30023 1 4 . 1 1 3 3 ALA HB3 H 1 1.280 0.020 . 1 . . . A 3 ALA HB3 . 30023 1 5 . 1 1 3 3 ALA CA C 13 52.251 0.3 . 1 . . . A 3 ALA CA . 30023 1 6 . 1 1 3 3 ALA CB C 13 19.351 0.3 . 1 . . . A 3 ALA CB . 30023 1 7 . 1 1 4 4 LEU H H 1 8.494 0.020 . 1 . . . A 4 LEU H . 30023 1 8 . 1 1 4 4 LEU HA H 1 4.041 0.020 . 1 . . . A 4 LEU HA . 30023 1 9 . 1 1 4 4 LEU HB2 H 1 1.598 0.020 . 2 . . . A 4 LEU HB2 . 30023 1 10 . 1 1 4 4 LEU HB3 H 1 1.236 0.020 . 2 . . . A 4 LEU HB3 . 30023 1 11 . 1 1 4 4 LEU HG H 1 1.456 0.020 . 1 . . . A 4 LEU HG . 30023 1 12 . 1 1 4 4 LEU HD11 H 1 0.714 0.020 . 1 . . . A 4 LEU HD11 . 30023 1 13 . 1 1 4 4 LEU HD12 H 1 0.714 0.020 . 1 . . . A 4 LEU HD12 . 30023 1 14 . 1 1 4 4 LEU HD13 H 1 0.714 0.020 . 1 . . . A 4 LEU HD13 . 30023 1 15 . 1 1 4 4 LEU HD21 H 1 0.711 0.020 . 1 . . . A 4 LEU HD21 . 30023 1 16 . 1 1 4 4 LEU HD22 H 1 0.711 0.020 . 1 . . . A 4 LEU HD22 . 30023 1 17 . 1 1 4 4 LEU HD23 H 1 0.711 0.020 . 1 . . . A 4 LEU HD23 . 30023 1 18 . 1 1 4 4 LEU C C 13 175.322 0.3 . 1 . . . A 4 LEU C . 30023 1 19 . 1 1 4 4 LEU CA C 13 54.396 0.3 . 1 . . . A 4 LEU CA . 30023 1 20 . 1 1 4 4 LEU CB C 13 40.885 0.3 . 1 . . . A 4 LEU CB . 30023 1 21 . 1 1 4 4 LEU CG C 13 26.880 0.3 . 1 . . . A 4 LEU CG . 30023 1 22 . 1 1 4 4 LEU CD1 C 13 23.951 0.3 . 1 . . . A 4 LEU CD1 . 30023 1 23 . 1 1 4 4 LEU CD2 C 13 26.375 0.3 . 1 . . . A 4 LEU CD2 . 30023 1 24 . 1 1 4 4 LEU N N 15 120.009 0.3 . 1 . . . A 4 LEU N . 30023 1 25 . 1 1 5 5 THR H H 1 8.442 0.020 . 1 . . . A 5 THR H . 30023 1 26 . 1 1 5 5 THR HA H 1 4.372 0.020 . 1 . . . A 5 THR HA . 30023 1 27 . 1 1 5 5 THR HB H 1 4.119 0.020 . 1 . . . A 5 THR HB . 30023 1 28 . 1 1 5 5 THR HG21 H 1 1.151 0.020 . 1 . . . A 5 THR HG21 . 30023 1 29 . 1 1 5 5 THR HG22 H 1 1.151 0.020 . 1 . . . A 5 THR HG22 . 30023 1 30 . 1 1 5 5 THR HG23 H 1 1.151 0.020 . 1 . . . A 5 THR HG23 . 30023 1 31 . 1 1 5 5 THR C C 13 173.798 0.3 . 1 . . . A 5 THR C . 30023 1 32 . 1 1 5 5 THR CA C 13 64.423 0.3 . 1 . . . A 5 THR CA . 30023 1 33 . 1 1 5 5 THR CB C 13 70.689 0.3 . 1 . . . A 5 THR CB . 30023 1 34 . 1 1 5 5 THR CG2 C 13 22.151 0.3 . 1 . . . A 5 THR CG2 . 30023 1 35 . 1 1 5 5 THR N N 15 115.693 0.3 . 1 . . . A 5 THR N . 30023 1 36 . 1 1 6 6 GLN H H 1 9.310 0.020 . 1 . . . A 6 GLN H . 30023 1 37 . 1 1 6 6 GLN HA H 1 4.721 0.020 . 1 . . . A 6 GLN HA . 30023 1 38 . 1 1 6 6 GLN HB2 H 1 2.050 0.020 . 2 . . . A 6 GLN HB2 . 30023 1 39 . 1 1 6 6 GLN HB3 H 1 1.925 0.020 . 2 . . . A 6 GLN HB3 . 30023 1 40 . 1 1 6 6 GLN HG2 H 1 2.333 0.020 . 2 . . . A 6 GLN HG2 . 30023 1 41 . 1 1 6 6 GLN HG3 H 1 2.076 0.020 . 2 . . . A 6 GLN HG3 . 30023 1 42 . 1 1 6 6 GLN HE21 H 1 7.346 0.020 . 1 . . . A 6 GLN HE21 . 30023 1 43 . 1 1 6 6 GLN HE22 H 1 6.631 0.020 . 1 . . . A 6 GLN HE22 . 30023 1 44 . 1 1 6 6 GLN C C 13 175.393 0.3 . 1 . . . A 6 GLN C . 30023 1 45 . 1 1 6 6 GLN CA C 13 55.215 0.3 . 1 . . . A 6 GLN CA . 30023 1 46 . 1 1 6 6 GLN CB C 13 28.599 0.3 . 1 . . . A 6 GLN CB . 30023 1 47 . 1 1 6 6 GLN CG C 13 34.115 0.3 . 1 . . . A 6 GLN CG . 30023 1 48 . 1 1 6 6 GLN N N 15 123.068 0.3 . 1 . . . A 6 GLN N . 30023 1 49 . 1 1 6 6 GLN NE2 N 15 110.538 0.3 . 1 . . . A 6 GLN NE2 . 30023 1 50 . 1 1 7 7 ILE H H 1 8.448 0.020 . 1 . . . A 7 ILE H . 30023 1 51 . 1 1 7 7 ILE HA H 1 4.821 0.020 . 1 . . . A 7 ILE HA . 30023 1 52 . 1 1 7 7 ILE HB H 1 1.646 0.020 . 1 . . . A 7 ILE HB . 30023 1 53 . 1 1 7 7 ILE HG12 H 1 1.277 0.020 . 2 . . . A 7 ILE HG12 . 30023 1 54 . 1 1 7 7 ILE HG13 H 1 1.045 0.020 . 2 . . . A 7 ILE HG13 . 30023 1 55 . 1 1 7 7 ILE HG21 H 1 0.531 0.020 . 1 . . . A 7 ILE HG21 . 30023 1 56 . 1 1 7 7 ILE HG22 H 1 0.531 0.020 . 1 . . . A 7 ILE HG22 . 30023 1 57 . 1 1 7 7 ILE HG23 H 1 0.531 0.020 . 1 . . . A 7 ILE HG23 . 30023 1 58 . 1 1 7 7 ILE HD11 H 1 0.377 0.020 . 1 . . . A 7 ILE HD11 . 30023 1 59 . 1 1 7 7 ILE HD12 H 1 0.377 0.020 . 1 . . . A 7 ILE HD12 . 30023 1 60 . 1 1 7 7 ILE HD13 H 1 0.377 0.020 . 1 . . . A 7 ILE HD13 . 30023 1 61 . 1 1 7 7 ILE C C 13 174.941 0.3 . 1 . . . A 7 ILE C . 30023 1 62 . 1 1 7 7 ILE CA C 13 58.312 0.3 . 1 . . . A 7 ILE CA . 30023 1 63 . 1 1 7 7 ILE CB C 13 39.054 0.3 . 1 . . . A 7 ILE CB . 30023 1 64 . 1 1 7 7 ILE CG1 C 13 27.112 0.3 . 1 . . . A 7 ILE CG1 . 30023 1 65 . 1 1 7 7 ILE CG2 C 13 16.808 0.3 . 1 . . . A 7 ILE CG2 . 30023 1 66 . 1 1 7 7 ILE CD1 C 13 10.641 0.3 . 1 . . . A 7 ILE CD1 . 30023 1 67 . 1 1 7 7 ILE N N 15 125.845 0.3 . 1 . . . A 7 ILE N . 30023 1 68 . 1 1 8 8 LEU H H 1 8.393 0.020 . 1 . . . A 8 LEU H . 30023 1 69 . 1 1 8 8 LEU HA H 1 4.556 0.020 . 1 . . . A 8 LEU HA . 30023 1 70 . 1 1 8 8 LEU HB2 H 1 1.586 0.020 . 2 . . . A 8 LEU HB2 . 30023 1 71 . 1 1 8 8 LEU HB3 H 1 1.118 0.020 . 2 . . . A 8 LEU HB3 . 30023 1 72 . 1 1 8 8 LEU HG H 1 1.281 0.020 . 1 . . . A 8 LEU HG . 30023 1 73 . 1 1 8 8 LEU HD11 H 1 0.498 0.020 . 1 . . . A 8 LEU HD11 . 30023 1 74 . 1 1 8 8 LEU HD12 H 1 0.498 0.020 . 1 . . . A 8 LEU HD12 . 30023 1 75 . 1 1 8 8 LEU HD13 H 1 0.498 0.020 . 1 . . . A 8 LEU HD13 . 30023 1 76 . 1 1 8 8 LEU HD21 H 1 0.680 0.020 . 1 . . . A 8 LEU HD21 . 30023 1 77 . 1 1 8 8 LEU HD22 H 1 0.680 0.020 . 1 . . . A 8 LEU HD22 . 30023 1 78 . 1 1 8 8 LEU HD23 H 1 0.680 0.020 . 1 . . . A 8 LEU HD23 . 30023 1 79 . 1 1 8 8 LEU C C 13 173.965 0.3 . 1 . . . A 8 LEU C . 30023 1 80 . 1 1 8 8 LEU CA C 13 53.731 0.3 . 1 . . . A 8 LEU CA . 30023 1 81 . 1 1 8 8 LEU CB C 13 45.207 0.3 . 1 . . . A 8 LEU CB . 30023 1 82 . 1 1 8 8 LEU CG C 13 26.882 0.3 . 1 . . . A 8 LEU CG . 30023 1 83 . 1 1 8 8 LEU CD1 C 13 25.621 0.3 . 1 . . . A 8 LEU CD1 . 30023 1 84 . 1 1 8 8 LEU CD2 C 13 22.820 0.3 . 1 . . . A 8 LEU CD2 . 30023 1 85 . 1 1 8 8 LEU N N 15 129.686 0.3 . 1 . . . A 8 LEU N . 30023 1 86 . 1 1 9 9 ILE H H 1 8.443 0.020 . 1 . . . A 9 ILE H . 30023 1 87 . 1 1 9 9 ILE HA H 1 4.266 0.020 . 1 . . . A 9 ILE HA . 30023 1 88 . 1 1 9 9 ILE HB H 1 2.246 0.020 . 1 . . . A 9 ILE HB . 30023 1 89 . 1 1 9 9 ILE HG12 H 1 1.489 0.020 . 2 . . . A 9 ILE HG12 . 30023 1 90 . 1 1 9 9 ILE HG13 H 1 0.651 0.020 . 2 . . . A 9 ILE HG13 . 30023 1 91 . 1 1 9 9 ILE HG21 H 1 0.828 0.020 . 1 . . . A 9 ILE HG21 . 30023 1 92 . 1 1 9 9 ILE HG22 H 1 0.828 0.020 . 1 . . . A 9 ILE HG22 . 30023 1 93 . 1 1 9 9 ILE HG23 H 1 0.828 0.020 . 1 . . . A 9 ILE HG23 . 30023 1 94 . 1 1 9 9 ILE HD11 H 1 0.781 0.020 . 1 . . . A 9 ILE HD11 . 30023 1 95 . 1 1 9 9 ILE HD12 H 1 0.781 0.020 . 1 . . . A 9 ILE HD12 . 30023 1 96 . 1 1 9 9 ILE HD13 H 1 0.781 0.020 . 1 . . . A 9 ILE HD13 . 30023 1 97 . 1 1 9 9 ILE C C 13 173.917 0.3 . 1 . . . A 9 ILE C . 30023 1 98 . 1 1 9 9 ILE CA C 13 61.517 0.3 . 1 . . . A 9 ILE CA . 30023 1 99 . 1 1 9 9 ILE CB C 13 38.508 0.3 . 1 . . . A 9 ILE CB . 30023 1 100 . 1 1 9 9 ILE CG1 C 13 27.591 0.3 . 1 . . . A 9 ILE CG1 . 30023 1 101 . 1 1 9 9 ILE CG2 C 13 19.016 0.3 . 1 . . . A 9 ILE CG2 . 30023 1 102 . 1 1 9 9 ILE CD1 C 13 14.607 0.3 . 1 . . . A 9 ILE CD1 . 30023 1 103 . 1 1 9 9 ILE N N 15 127.743 0.3 . 1 . . . A 9 ILE N . 30023 1 104 . 1 1 10 10 VAL H H 1 8.799 0.020 . 1 . . . A 10 VAL H . 30023 1 105 . 1 1 10 10 VAL HA H 1 4.938 0.020 . 1 . . . A 10 VAL HA . 30023 1 106 . 1 1 10 10 VAL HB H 1 2.337 0.020 . 1 . . . A 10 VAL HB . 30023 1 107 . 1 1 10 10 VAL HG11 H 1 0.679 0.020 . 1 . . . A 10 VAL HG11 . 30023 1 108 . 1 1 10 10 VAL HG12 H 1 0.679 0.020 . 1 . . . A 10 VAL HG12 . 30023 1 109 . 1 1 10 10 VAL HG13 H 1 0.679 0.020 . 1 . . . A 10 VAL HG13 . 30023 1 110 . 1 1 10 10 VAL HG21 H 1 0.524 0.020 . 1 . . . A 10 VAL HG21 . 30023 1 111 . 1 1 10 10 VAL HG22 H 1 0.524 0.020 . 1 . . . A 10 VAL HG22 . 30023 1 112 . 1 1 10 10 VAL HG23 H 1 0.524 0.020 . 1 . . . A 10 VAL HG23 . 30023 1 113 . 1 1 10 10 VAL C C 13 173.513 0.3 . 1 . . . A 10 VAL C . 30023 1 114 . 1 1 10 10 VAL CA C 13 60.015 0.3 . 1 . . . A 10 VAL CA . 30023 1 115 . 1 1 10 10 VAL CB C 13 30.367 0.3 . 1 . . . A 10 VAL CB . 30023 1 116 . 1 1 10 10 VAL CG1 C 13 22.743 0.3 . 1 . . . A 10 VAL CG1 . 30023 1 117 . 1 1 10 10 VAL CG2 C 13 20.078 0.3 . 1 . . . A 10 VAL CG2 . 30023 1 118 . 1 1 10 10 VAL N N 15 129.016 0.3 . 1 . . . A 10 VAL N . 30023 1 119 . 1 1 11 11 GLU H H 1 7.867 0.020 . 1 . . . A 11 GLU H . 30023 1 120 . 1 1 11 11 GLU HA H 1 4.370 0.020 . 1 . . . A 11 GLU HA . 30023 1 121 . 1 1 11 11 GLU HB2 H 1 2.116 0.020 . 1 . . . A 11 GLU HB2 . 30023 1 122 . 1 1 11 11 GLU HB3 H 1 2.116 0.020 . 1 . . . A 11 GLU HB3 . 30023 1 123 . 1 1 11 11 GLU HG2 H 1 2.278 0.020 . 1 . . . A 11 GLU HG2 . 30023 1 124 . 1 1 11 11 GLU HG3 H 1 2.278 0.020 . 1 . . . A 11 GLU HG3 . 30023 1 125 . 1 1 11 11 GLU C C 13 172.846 0.3 . 1 . . . A 11 GLU C . 30023 1 126 . 1 1 11 11 GLU CA C 13 55.203 0.3 . 1 . . . A 11 GLU CA . 30023 1 127 . 1 1 11 11 GLU CB C 13 33.024 0.3 . 1 . . . A 11 GLU CB . 30023 1 128 . 1 1 11 11 GLU CG C 13 36.022 0.3 . 1 . . . A 11 GLU CG . 30023 1 129 . 1 1 11 11 GLU N N 15 123.322 0.3 . 1 . . . A 11 GLU N . 30023 1 130 . 1 1 12 12 ASP H H 1 9.286 0.020 . 1 . . . A 12 ASP H . 30023 1 131 . 1 1 12 12 ASP HA H 1 4.376 0.020 . 1 . . . A 12 ASP HA . 30023 1 132 . 1 1 12 12 ASP HB2 H 1 2.716 0.020 . 2 . . . A 12 ASP HB2 . 30023 1 133 . 1 1 12 12 ASP HB3 H 1 2.606 0.020 . 2 . . . A 12 ASP HB3 . 30023 1 134 . 1 1 12 12 ASP C C 13 175.345 0.3 . 1 . . . A 12 ASP C . 30023 1 135 . 1 1 12 12 ASP CA C 13 55.216 0.3 . 1 . . . A 12 ASP CA . 30023 1 136 . 1 1 12 12 ASP CB C 13 42.652 0.3 . 1 . . . A 12 ASP CB . 30023 1 137 . 1 1 12 12 ASP N N 15 125.250 0.3 . 1 . . . A 12 ASP N . 30023 1 138 . 1 1 13 13 GLU H H 1 8.201 0.020 . 1 . . . A 13 GLU H . 30023 1 139 . 1 1 13 13 GLU HA H 1 4.700 0.020 . 1 . . . A 13 GLU HA . 30023 1 140 . 1 1 13 13 GLU HB2 H 1 2.101 0.020 . 2 . . . A 13 GLU HB2 . 30023 1 141 . 1 1 13 13 GLU HB3 H 1 2.007 0.020 . 2 . . . A 13 GLU HB3 . 30023 1 142 . 1 1 13 13 GLU HG2 H 1 2.243 0.020 . 2 . . . A 13 GLU HG2 . 30023 1 143 . 1 1 13 13 GLU HG3 H 1 2.296 0.020 . 2 . . . A 13 GLU HG3 . 30023 1 144 . 1 1 13 13 GLU CA C 13 53.974 0.3 . 1 . . . A 13 GLU CA . 30023 1 145 . 1 1 13 13 GLU CB C 13 29.768 0.3 . 1 . . . A 13 GLU CB . 30023 1 146 . 1 1 13 13 GLU CG C 13 36.719 0.3 . 1 . . . A 13 GLU CG . 30023 1 147 . 1 1 13 13 GLU N N 15 122.244 0.3 . 1 . . . A 13 GLU N . 30023 1 148 . 1 1 14 14 PRO HA H 1 4.205 0.020 . 1 . . . A 14 PRO HA . 30023 1 149 . 1 1 14 14 PRO HB2 H 1 2.314 0.020 . 2 . . . A 14 PRO HB2 . 30023 1 150 . 1 1 14 14 PRO HB3 H 1 1.888 0.020 . 2 . . . A 14 PRO HB3 . 30023 1 151 . 1 1 14 14 PRO HG2 H 1 1.962 0.020 . 2 . . . A 14 PRO HG2 . 30023 1 152 . 1 1 14 14 PRO HG3 H 1 2.034 0.020 . 2 . . . A 14 PRO HG3 . 30023 1 153 . 1 1 14 14 PRO HD2 H 1 3.860 0.020 . 1 . . . A 14 PRO HD2 . 30023 1 154 . 1 1 14 14 PRO HD3 H 1 3.860 0.020 . 1 . . . A 14 PRO HD3 . 30023 1 155 . 1 1 14 14 PRO CA C 13 65.477 0.3 . 1 . . . A 14 PRO CA . 30023 1 156 . 1 1 14 14 PRO CB C 13 32.283 0.3 . 1 . . . A 14 PRO CB . 30023 1 157 . 1 1 14 14 PRO CG C 13 27.336 0.3 . 1 . . . A 14 PRO CG . 30023 1 158 . 1 1 14 14 PRO CD C 13 51.302 0.3 . 1 . . . A 14 PRO CD . 30023 1 159 . 1 1 15 15 LEU H H 1 8.781 0.020 . 1 . . . A 15 LEU H . 30023 1 160 . 1 1 15 15 LEU HA H 1 4.093 0.020 . 1 . . . A 15 LEU HA . 30023 1 161 . 1 1 15 15 LEU HB2 H 1 1.752 0.020 . 2 . . . A 15 LEU HB2 . 30023 1 162 . 1 1 15 15 LEU HB3 H 1 1.471 0.020 . 2 . . . A 15 LEU HB3 . 30023 1 163 . 1 1 15 15 LEU HG H 1 1.619 0.020 . 1 . . . A 15 LEU HG . 30023 1 164 . 1 1 15 15 LEU HD11 H 1 0.818 0.020 . 1 . . . A 15 LEU HD11 . 30023 1 165 . 1 1 15 15 LEU HD12 H 1 0.818 0.020 . 1 . . . A 15 LEU HD12 . 30023 1 166 . 1 1 15 15 LEU HD13 H 1 0.818 0.020 . 1 . . . A 15 LEU HD13 . 30023 1 167 . 1 1 15 15 LEU HD21 H 1 0.442 0.020 . 1 . . . A 15 LEU HD21 . 30023 1 168 . 1 1 15 15 LEU HD22 H 1 0.442 0.020 . 1 . . . A 15 LEU HD22 . 30023 1 169 . 1 1 15 15 LEU HD23 H 1 0.442 0.020 . 1 . . . A 15 LEU HD23 . 30023 1 170 . 1 1 15 15 LEU C C 13 179.892 0.3 . 1 . . . A 15 LEU C . 30023 1 171 . 1 1 15 15 LEU CA C 13 58.145 0.3 . 1 . . . A 15 LEU CA . 30023 1 172 . 1 1 15 15 LEU CB C 13 41.311 0.3 . 1 . . . A 15 LEU CB . 30023 1 173 . 1 1 15 15 LEU CG C 13 27.273 0.3 . 1 . . . A 15 LEU CG . 30023 1 174 . 1 1 15 15 LEU CD1 C 13 23.488 0.3 . 1 . . . A 15 LEU CD1 . 30023 1 175 . 1 1 15 15 LEU CD2 C 13 25.350 0.3 . 1 . . . A 15 LEU CD2 . 30023 1 176 . 1 1 15 15 LEU N N 15 117.332 0.3 . 1 . . . A 15 LEU N . 30023 1 177 . 1 1 16 16 ILE H H 1 7.055 0.020 . 1 . . . A 16 ILE H . 30023 1 178 . 1 1 16 16 ILE HA H 1 3.815 0.020 . 1 . . . A 16 ILE HA . 30023 1 179 . 1 1 16 16 ILE HB H 1 2.025 0.020 . 1 . . . A 16 ILE HB . 30023 1 180 . 1 1 16 16 ILE HG12 H 1 1.429 0.020 . 2 . . . A 16 ILE HG12 . 30023 1 181 . 1 1 16 16 ILE HG13 H 1 1.301 0.020 . 2 . . . A 16 ILE HG13 . 30023 1 182 . 1 1 16 16 ILE HG21 H 1 0.867 0.020 . 1 . . . A 16 ILE HG21 . 30023 1 183 . 1 1 16 16 ILE HG22 H 1 0.867 0.020 . 1 . . . A 16 ILE HG22 . 30023 1 184 . 1 1 16 16 ILE HG23 H 1 0.867 0.020 . 1 . . . A 16 ILE HG23 . 30023 1 185 . 1 1 16 16 ILE HD11 H 1 0.656 0.020 . 1 . . . A 16 ILE HD11 . 30023 1 186 . 1 1 16 16 ILE HD12 H 1 0.656 0.020 . 1 . . . A 16 ILE HD12 . 30023 1 187 . 1 1 16 16 ILE HD13 H 1 0.656 0.020 . 1 . . . A 16 ILE HD13 . 30023 1 188 . 1 1 16 16 ILE C C 13 177.821 0.3 . 1 . . . A 16 ILE C . 30023 1 189 . 1 1 16 16 ILE CA C 13 62.170 0.3 . 1 . . . A 16 ILE CA . 30023 1 190 . 1 1 16 16 ILE CB C 13 36.036 0.3 . 1 . . . A 16 ILE CB . 30023 1 191 . 1 1 16 16 ILE CG1 C 13 27.417 0.3 . 1 . . . A 16 ILE CG1 . 30023 1 192 . 1 1 16 16 ILE CG2 C 13 17.685 0.3 . 1 . . . A 16 ILE CG2 . 30023 1 193 . 1 1 16 16 ILE CD1 C 13 10.338 0.3 . 1 . . . A 16 ILE CD1 . 30023 1 194 . 1 1 16 16 ILE N N 15 117.882 0.3 . 1 . . . A 16 ILE N . 30023 1 195 . 1 1 17 17 ALA H H 1 8.152 0.020 . 1 . . . A 17 ALA H . 30023 1 196 . 1 1 17 17 ALA HA H 1 3.770 0.020 . 1 . . . A 17 ALA HA . 30023 1 197 . 1 1 17 17 ALA HB1 H 1 1.324 0.020 . 1 . . . A 17 ALA HB1 . 30023 1 198 . 1 1 17 17 ALA HB2 H 1 1.324 0.020 . 1 . . . A 17 ALA HB2 . 30023 1 199 . 1 1 17 17 ALA HB3 H 1 1.324 0.020 . 1 . . . A 17 ALA HB3 . 30023 1 200 . 1 1 17 17 ALA C C 13 178.821 0.3 . 1 . . . A 17 ALA C . 30023 1 201 . 1 1 17 17 ALA CA C 13 55.943 0.3 . 1 . . . A 17 ALA CA . 30023 1 202 . 1 1 17 17 ALA CB C 13 18.256 0.3 . 1 . . . A 17 ALA CB . 30023 1 203 . 1 1 17 17 ALA N N 15 122.776 0.3 . 1 . . . A 17 ALA N . 30023 1 204 . 1 1 18 18 MET H H 1 8.103 0.020 . 1 . . . A 18 MET H . 30023 1 205 . 1 1 18 18 MET HA H 1 4.025 0.020 . 1 . . . A 18 MET HA . 30023 1 206 . 1 1 18 18 MET HB2 H 1 2.044 0.020 . 2 . . . A 18 MET HB2 . 30023 1 207 . 1 1 18 18 MET HB3 H 1 2.040 0.020 . 2 . . . A 18 MET HB3 . 30023 1 208 . 1 1 18 18 MET HG2 H 1 2.631 0.020 . 2 . . . A 18 MET HG2 . 30023 1 209 . 1 1 18 18 MET HG3 H 1 2.473 0.020 . 2 . . . A 18 MET HG3 . 30023 1 210 . 1 1 18 18 MET HE1 H 1 1.998 0.020 . 1 . . . A 18 MET HE1 . 30023 1 211 . 1 1 18 18 MET HE2 H 1 1.998 0.020 . 1 . . . A 18 MET HE2 . 30023 1 212 . 1 1 18 18 MET HE3 H 1 1.998 0.020 . 1 . . . A 18 MET HE3 . 30023 1 213 . 1 1 18 18 MET C C 13 178.035 0.3 . 1 . . . A 18 MET C . 30023 1 214 . 1 1 18 18 MET CA C 13 58.638 0.3 . 1 . . . A 18 MET CA . 30023 1 215 . 1 1 18 18 MET CB C 13 32.691 0.3 . 1 . . . A 18 MET CB . 30023 1 216 . 1 1 18 18 MET CG C 13 31.843 0.3 . 1 . . . A 18 MET CG . 30023 1 217 . 1 1 18 18 MET CE C 13 16.796 0.3 . 1 . . . A 18 MET CE . 30023 1 218 . 1 1 18 18 MET N N 15 115.340 0.3 . 1 . . . A 18 MET N . 30023 1 219 . 1 1 19 19 MET H H 1 7.391 0.020 . 1 . . . A 19 MET H . 30023 1 220 . 1 1 19 19 MET HA H 1 3.816 0.020 . 1 . . . A 19 MET HA . 30023 1 221 . 1 1 19 19 MET HB2 H 1 2.039 0.020 . 2 . . . A 19 MET HB2 . 30023 1 222 . 1 1 19 19 MET HB3 H 1 1.862 0.020 . 2 . . . A 19 MET HB3 . 30023 1 223 . 1 1 19 19 MET HG2 H 1 2.384 0.020 . 2 . . . A 19 MET HG2 . 30023 1 224 . 1 1 19 19 MET HG3 H 1 2.058 0.020 . 2 . . . A 19 MET HG3 . 30023 1 225 . 1 1 19 19 MET HE1 H 1 1.974 0.020 . 1 . . . A 19 MET HE1 . 30023 1 226 . 1 1 19 19 MET HE2 H 1 1.974 0.020 . 1 . . . A 19 MET HE2 . 30023 1 227 . 1 1 19 19 MET HE3 H 1 1.974 0.020 . 1 . . . A 19 MET HE3 . 30023 1 228 . 1 1 19 19 MET C C 13 177.416 0.3 . 1 . . . A 19 MET C . 30023 1 229 . 1 1 19 19 MET CA C 13 58.480 0.3 . 1 . . . A 19 MET CA . 30023 1 230 . 1 1 19 19 MET CB C 13 33.038 0.3 . 1 . . . A 19 MET CB . 30023 1 231 . 1 1 19 19 MET CG C 13 31.284 0.3 . 1 . . . A 19 MET CG . 30023 1 232 . 1 1 19 19 MET CE C 13 17.085 0.3 . 1 . . . A 19 MET CE . 30023 1 233 . 1 1 19 19 MET N N 15 119.050 0.3 . 1 . . . A 19 MET N . 30023 1 234 . 1 1 20 20 LEU H H 1 7.957 0.020 . 1 . . . A 20 LEU H . 30023 1 235 . 1 1 20 20 LEU HA H 1 3.836 0.020 . 1 . . . A 20 LEU HA . 30023 1 236 . 1 1 20 20 LEU HB2 H 1 1.931 0.020 . 2 . . . A 20 LEU HB2 . 30023 1 237 . 1 1 20 20 LEU HB3 H 1 1.267 0.020 . 2 . . . A 20 LEU HB3 . 30023 1 238 . 1 1 20 20 LEU HG H 1 1.631 0.020 . 1 . . . A 20 LEU HG . 30023 1 239 . 1 1 20 20 LEU HD11 H 1 0.553 0.020 . 1 . . . A 20 LEU HD11 . 30023 1 240 . 1 1 20 20 LEU HD12 H 1 0.553 0.020 . 1 . . . A 20 LEU HD12 . 30023 1 241 . 1 1 20 20 LEU HD13 H 1 0.553 0.020 . 1 . . . A 20 LEU HD13 . 30023 1 242 . 1 1 20 20 LEU HD21 H 1 0.414 0.020 . 1 . . . A 20 LEU HD21 . 30023 1 243 . 1 1 20 20 LEU HD22 H 1 0.414 0.020 . 1 . . . A 20 LEU HD22 . 30023 1 244 . 1 1 20 20 LEU HD23 H 1 0.414 0.020 . 1 . . . A 20 LEU HD23 . 30023 1 245 . 1 1 20 20 LEU C C 13 178.107 0.3 . 1 . . . A 20 LEU C . 30023 1 246 . 1 1 20 20 LEU CA C 13 58.015 0.3 . 1 . . . A 20 LEU CA . 30023 1 247 . 1 1 20 20 LEU CB C 13 41.899 0.3 . 1 . . . A 20 LEU CB . 30023 1 248 . 1 1 20 20 LEU CG C 13 26.619 0.3 . 1 . . . A 20 LEU CG . 30023 1 249 . 1 1 20 20 LEU CD1 C 13 25.255 0.3 . 1 . . . A 20 LEU CD1 . 30023 1 250 . 1 1 20 20 LEU CD2 C 13 23.881 0.3 . 1 . . . A 20 LEU CD2 . 30023 1 251 . 1 1 20 20 LEU N N 15 117.528 0.3 . 1 . . . A 20 LEU N . 30023 1 252 . 1 1 21 21 GLU H H 1 8.256 0.020 . 1 . . . A 21 GLU H . 30023 1 253 . 1 1 21 21 GLU HA H 1 3.519 0.020 . 1 . . . A 21 GLU HA . 30023 1 254 . 1 1 21 21 GLU HB2 H 1 2.123 0.020 . 2 . . . A 21 GLU HB2 . 30023 1 255 . 1 1 21 21 GLU HB3 H 1 1.976 0.020 . 2 . . . A 21 GLU HB3 . 30023 1 256 . 1 1 21 21 GLU HG2 H 1 2.399 0.020 . 2 . . . A 21 GLU HG2 . 30023 1 257 . 1 1 21 21 GLU HG3 H 1 1.948 0.020 . 2 . . . A 21 GLU HG3 . 30023 1 258 . 1 1 21 21 GLU C C 13 177.797 0.3 . 1 . . . A 21 GLU C . 30023 1 259 . 1 1 21 21 GLU CA C 13 60.906 0.3 . 1 . . . A 21 GLU CA . 30023 1 260 . 1 1 21 21 GLU CB C 13 29.163 0.3 . 1 . . . A 21 GLU CB . 30023 1 261 . 1 1 21 21 GLU CG C 13 36.602 0.3 . 1 . . . A 21 GLU CG . 30023 1 262 . 1 1 21 21 GLU N N 15 119.089 0.3 . 1 . . . A 21 GLU N . 30023 1 263 . 1 1 22 22 ASP H H 1 7.707 0.020 . 1 . . . A 22 ASP H . 30023 1 264 . 1 1 22 22 ASP HA H 1 4.318 0.020 . 1 . . . A 22 ASP HA . 30023 1 265 . 1 1 22 22 ASP HB2 H 1 2.649 0.020 . 2 . . . A 22 ASP HB2 . 30023 1 266 . 1 1 22 22 ASP HB3 H 1 2.571 0.020 . 2 . . . A 22 ASP HB3 . 30023 1 267 . 1 1 22 22 ASP C C 13 178.987 0.3 . 1 . . . A 22 ASP C . 30023 1 268 . 1 1 22 22 ASP CA C 13 57.215 0.3 . 1 . . . A 22 ASP CA . 30023 1 269 . 1 1 22 22 ASP CB C 13 40.360 0.3 . 1 . . . A 22 ASP CB . 30023 1 270 . 1 1 22 22 ASP N N 15 118.080 0.3 . 1 . . . A 22 ASP N . 30023 1 271 . 1 1 23 23 PHE H H 1 8.331 0.020 . 1 . . . A 23 PHE H . 30023 1 272 . 1 1 23 23 PHE HA H 1 4.557 0.020 . 1 . . . A 23 PHE HA . 30023 1 273 . 1 1 23 23 PHE HB2 H 1 3.216 0.020 . 2 . . . A 23 PHE HB2 . 30023 1 274 . 1 1 23 23 PHE HB3 H 1 2.985 0.020 . 2 . . . A 23 PHE HB3 . 30023 1 275 . 1 1 23 23 PHE HD1 H 1 7.051 0.020 . 1 . . . A 23 PHE HD1 . 30023 1 276 . 1 1 23 23 PHE HD2 H 1 7.051 0.020 . 1 . . . A 23 PHE HD2 . 30023 1 277 . 1 1 23 23 PHE HE1 H 1 7.246 0.020 . 1 . . . A 23 PHE HE1 . 30023 1 278 . 1 1 23 23 PHE HE2 H 1 7.246 0.020 . 1 . . . A 23 PHE HE2 . 30023 1 279 . 1 1 23 23 PHE HZ H 1 6.810 0.020 . 1 . . . A 23 PHE HZ . 30023 1 280 . 1 1 23 23 PHE C C 13 177.940 0.3 . 1 . . . A 23 PHE C . 30023 1 281 . 1 1 23 23 PHE CA C 13 57.709 0.3 . 1 . . . A 23 PHE CA . 30023 1 282 . 1 1 23 23 PHE CB C 13 37.619 0.3 . 1 . . . A 23 PHE CB . 30023 1 283 . 1 1 23 23 PHE CD1 C 13 126.921 0.3 . 1 . . . A 23 PHE CD1 . 30023 1 284 . 1 1 23 23 PHE CE1 C 13 128.512 0.3 . 1 . . . A 23 PHE CE1 . 30023 1 285 . 1 1 23 23 PHE N N 15 117.562 0.3 . 1 . . . A 23 PHE N . 30023 1 286 . 1 1 24 24 LEU H H 1 8.594 0.020 . 1 . . . A 24 LEU H . 30023 1 287 . 1 1 24 24 LEU HA H 1 3.738 0.020 . 1 . . . A 24 LEU HA . 30023 1 288 . 1 1 24 24 LEU HB2 H 1 2.006 0.020 . 2 . . . A 24 LEU HB2 . 30023 1 289 . 1 1 24 24 LEU HB3 H 1 0.941 0.020 . 2 . . . A 24 LEU HB3 . 30023 1 290 . 1 1 24 24 LEU HG H 1 1.884 0.020 . 1 . . . A 24 LEU HG . 30023 1 291 . 1 1 24 24 LEU HD11 H 1 0.609 0.020 . 1 . . . A 24 LEU HD11 . 30023 1 292 . 1 1 24 24 LEU HD12 H 1 0.609 0.020 . 1 . . . A 24 LEU HD12 . 30023 1 293 . 1 1 24 24 LEU HD13 H 1 0.609 0.020 . 1 . . . A 24 LEU HD13 . 30023 1 294 . 1 1 24 24 LEU HD21 H 1 0.571 0.020 . 1 . . . A 24 LEU HD21 . 30023 1 295 . 1 1 24 24 LEU HD22 H 1 0.571 0.020 . 1 . . . A 24 LEU HD22 . 30023 1 296 . 1 1 24 24 LEU HD23 H 1 0.571 0.020 . 1 . . . A 24 LEU HD23 . 30023 1 297 . 1 1 24 24 LEU C C 13 178.321 0.3 . 1 . . . A 24 LEU C . 30023 1 298 . 1 1 24 24 LEU CA C 13 58.211 0.3 . 1 . . . A 24 LEU CA . 30023 1 299 . 1 1 24 24 LEU CB C 13 40.816 0.3 . 1 . . . A 24 LEU CB . 30023 1 300 . 1 1 24 24 LEU CG C 13 26.862 0.3 . 1 . . . A 24 LEU CG . 30023 1 301 . 1 1 24 24 LEU CD1 C 13 26.199 0.3 . 1 . . . A 24 LEU CD1 . 30023 1 302 . 1 1 24 24 LEU CD2 C 13 23.347 0.3 . 1 . . . A 24 LEU CD2 . 30023 1 303 . 1 1 24 24 LEU N N 15 116.876 0.3 . 1 . . . A 24 LEU N . 30023 1 304 . 1 1 25 25 GLU H H 1 7.856 0.020 . 1 . . . A 25 GLU H . 30023 1 305 . 1 1 25 25 GLU HA H 1 4.293 0.020 . 1 . . . A 25 GLU HA . 30023 1 306 . 1 1 25 25 GLU HB2 H 1 2.564 0.020 . 2 . . . A 25 GLU HB2 . 30023 1 307 . 1 1 25 25 GLU HB3 H 1 2.278 0.020 . 2 . . . A 25 GLU HB3 . 30023 1 308 . 1 1 25 25 GLU HG2 H 1 2.485 0.020 . 2 . . . A 25 GLU HG2 . 30023 1 309 . 1 1 25 25 GLU HG3 H 1 2.416 0.020 . 2 . . . A 25 GLU HG3 . 30023 1 310 . 1 1 25 25 GLU C C 13 181.249 0.3 . 1 . . . A 25 GLU C . 30023 1 311 . 1 1 25 25 GLU CA C 13 59.689 0.3 . 1 . . . A 25 GLU CA . 30023 1 312 . 1 1 25 25 GLU CB C 13 35.907 0.3 . 1 . . . A 25 GLU CB . 30023 1 313 . 1 1 25 25 GLU CG C 13 41.085 0.3 . 1 . . . A 25 GLU CG . 30023 1 314 . 1 1 25 25 GLU N N 15 117.848 0.3 . 1 . . . A 25 GLU N . 30023 1 315 . 1 1 26 26 VAL H H 1 7.921 0.020 . 1 . . . A 26 VAL H . 30023 1 316 . 1 1 26 26 VAL HA H 1 3.816 0.020 . 1 . . . A 26 VAL HA . 30023 1 317 . 1 1 26 26 VAL HB H 1 2.340 0.020 . 1 . . . A 26 VAL HB . 30023 1 318 . 1 1 26 26 VAL HG11 H 1 1.160 0.020 . 1 . . . A 26 VAL HG11 . 30023 1 319 . 1 1 26 26 VAL HG12 H 1 1.160 0.020 . 1 . . . A 26 VAL HG12 . 30023 1 320 . 1 1 26 26 VAL HG13 H 1 1.160 0.020 . 1 . . . A 26 VAL HG13 . 30023 1 321 . 1 1 26 26 VAL HG21 H 1 0.996 0.020 . 1 . . . A 26 VAL HG21 . 30023 1 322 . 1 1 26 26 VAL HG22 H 1 0.996 0.020 . 1 . . . A 26 VAL HG22 . 30023 1 323 . 1 1 26 26 VAL HG23 H 1 0.996 0.020 . 1 . . . A 26 VAL HG23 . 30023 1 324 . 1 1 26 26 VAL C C 13 177.607 0.3 . 1 . . . A 26 VAL C . 30023 1 325 . 1 1 26 26 VAL CA C 13 65.749 0.3 . 1 . . . A 26 VAL CA . 30023 1 326 . 1 1 26 26 VAL CB C 13 31.343 0.3 . 1 . . . A 26 VAL CB . 30023 1 327 . 1 1 26 26 VAL CG1 C 13 22.675 0.3 . 1 . . . A 26 VAL CG1 . 30023 1 328 . 1 1 26 26 VAL CG2 C 13 21.936 0.3 . 1 . . . A 26 VAL CG2 . 30023 1 329 . 1 1 26 26 VAL N N 15 121.199 0.3 . 1 . . . A 26 VAL N . 30023 1 330 . 1 1 27 27 LEU H H 1 7.505 0.020 . 1 . . . A 27 LEU H . 30023 1 331 . 1 1 27 27 LEU HA H 1 4.252 0.020 . 1 . . . A 27 LEU HA . 30023 1 332 . 1 1 27 27 LEU HB2 H 1 1.708 0.020 . 2 . . . A 27 LEU HB2 . 30023 1 333 . 1 1 27 27 LEU HB3 H 1 1.613 0.020 . 2 . . . A 27 LEU HB3 . 30023 1 334 . 1 1 27 27 LEU HG H 1 1.837 0.020 . 1 . . . A 27 LEU HG . 30023 1 335 . 1 1 27 27 LEU HD11 H 1 0.662 0.020 . 1 . . . A 27 LEU HD11 . 30023 1 336 . 1 1 27 27 LEU HD12 H 1 0.662 0.020 . 1 . . . A 27 LEU HD12 . 30023 1 337 . 1 1 27 27 LEU HD13 H 1 0.662 0.020 . 1 . . . A 27 LEU HD13 . 30023 1 338 . 1 1 27 27 LEU HD21 H 1 0.783 0.020 . 1 . . . A 27 LEU HD21 . 30023 1 339 . 1 1 27 27 LEU HD22 H 1 0.783 0.020 . 1 . . . A 27 LEU HD22 . 30023 1 340 . 1 1 27 27 LEU HD23 H 1 0.783 0.020 . 1 . . . A 27 LEU HD23 . 30023 1 341 . 1 1 27 27 LEU C C 13 175.345 0.3 . 1 . . . A 27 LEU C . 30023 1 342 . 1 1 27 27 LEU CA C 13 54.465 0.3 . 1 . . . A 27 LEU CA . 30023 1 343 . 1 1 27 27 LEU CB C 13 41.434 0.3 . 1 . . . A 27 LEU CB . 30023 1 344 . 1 1 27 27 LEU CG C 13 25.974 0.3 . 1 . . . A 27 LEU CG . 30023 1 345 . 1 1 27 27 LEU CD1 C 13 25.737 0.3 . 1 . . . A 27 LEU CD1 . 30023 1 346 . 1 1 27 27 LEU CD2 C 13 22.150 0.3 . 1 . . . A 27 LEU CD2 . 30023 1 347 . 1 1 27 27 LEU N N 15 119.736 0.3 . 1 . . . A 27 LEU N . 30023 1 348 . 1 1 28 28 ASP H H 1 7.943 0.020 . 1 . . . A 28 ASP H . 30023 1 349 . 1 1 28 28 ASP HA H 1 4.398 0.020 . 1 . . . A 28 ASP HA . 30023 1 350 . 1 1 28 28 ASP HB2 H 1 2.654 0.020 . 2 . . . A 28 ASP HB2 . 30023 1 351 . 1 1 28 28 ASP HB3 H 1 3.012 0.020 . 2 . . . A 28 ASP HB3 . 30023 1 352 . 1 1 28 28 ASP C C 13 175.345 0.3 . 1 . . . A 28 ASP C . 30023 1 353 . 1 1 28 28 ASP CA C 13 55.547 0.3 . 1 . . . A 28 ASP CA . 30023 1 354 . 1 1 28 28 ASP CB C 13 38.852 0.3 . 1 . . . A 28 ASP CB . 30023 1 355 . 1 1 28 28 ASP N N 15 115.789 0.3 . 1 . . . A 28 ASP N . 30023 1 356 . 1 1 29 29 LYS H H 1 8.284 0.020 . 1 . . . A 29 LYS H . 30023 1 357 . 1 1 29 29 LYS HA H 1 4.650 0.020 . 1 . . . A 29 LYS HA . 30023 1 358 . 1 1 29 29 LYS HB2 H 1 1.746 0.020 . 2 . . . A 29 LYS HB2 . 30023 1 359 . 1 1 29 29 LYS HB3 H 1 1.583 0.020 . 2 . . . A 29 LYS HB3 . 30023 1 360 . 1 1 29 29 LYS HG2 H 1 1.146 0.020 . 2 . . . A 29 LYS HG2 . 30023 1 361 . 1 1 29 29 LYS HG3 H 1 1.365 0.020 . 2 . . . A 29 LYS HG3 . 30023 1 362 . 1 1 29 29 LYS HE2 H 1 2.878 0.020 . 1 . . . A 29 LYS HE2 . 30023 1 363 . 1 1 29 29 LYS HE3 H 1 2.878 0.020 . 1 . . . A 29 LYS HE3 . 30023 1 364 . 1 1 29 29 LYS C C 13 174.988 0.3 . 1 . . . A 29 LYS C . 30023 1 365 . 1 1 29 29 LYS CA C 13 53.210 0.3 . 1 . . . A 29 LYS CA . 30023 1 366 . 1 1 29 29 LYS CB C 13 33.682 0.3 . 1 . . . A 29 LYS CB . 30023 1 367 . 1 1 29 29 LYS CG C 13 24.692 0.3 . 1 . . . A 29 LYS CG . 30023 1 368 . 1 1 29 29 LYS CE C 13 42.507 0.3 . 1 . . . A 29 LYS CE . 30023 1 369 . 1 1 29 29 LYS N N 15 116.505 0.3 . 1 . . . A 29 LYS N . 30023 1 370 . 1 1 30 30 THR H H 1 8.813 0.020 . 1 . . . A 30 THR H . 30023 1 371 . 1 1 30 30 THR HA H 1 4.694 0.020 . 1 . . . A 30 THR HA . 30023 1 372 . 1 1 30 30 THR HB H 1 3.845 0.020 . 1 . . . A 30 THR HB . 30023 1 373 . 1 1 30 30 THR HG21 H 1 1.154 0.020 . 1 . . . A 30 THR HG21 . 30023 1 374 . 1 1 30 30 THR HG22 H 1 1.154 0.020 . 1 . . . A 30 THR HG22 . 30023 1 375 . 1 1 30 30 THR HG23 H 1 1.154 0.020 . 1 . . . A 30 THR HG23 . 30023 1 376 . 1 1 30 30 THR CA C 13 59.425 0.3 . 1 . . . A 30 THR CA . 30023 1 377 . 1 1 30 30 THR CB C 13 71.143 0.3 . 1 . . . A 30 THR CB . 30023 1 378 . 1 1 30 30 THR CG2 C 13 22.107 0.3 . 1 . . . A 30 THR CG2 . 30023 1 379 . 1 1 30 30 THR N N 15 116.194 0.3 . 1 . . . A 30 THR N . 30023 1 380 . 1 1 31 31 PRO HA H 1 5.031 0.020 . 1 . . . A 31 PRO HA . 30023 1 381 . 1 1 31 31 PRO HB2 H 1 2.030 0.020 . 2 . . . A 31 PRO HB2 . 30023 1 382 . 1 1 31 31 PRO HB3 H 1 2.167 0.020 . 2 . . . A 31 PRO HB3 . 30023 1 383 . 1 1 31 31 PRO HG2 H 1 1.871 0.020 . 2 . . . A 31 PRO HG2 . 30023 1 384 . 1 1 31 31 PRO HG3 H 1 2.320 0.020 . 2 . . . A 31 PRO HG3 . 30023 1 385 . 1 1 31 31 PRO HD2 H 1 3.727 0.020 . 2 . . . A 31 PRO HD2 . 30023 1 386 . 1 1 31 31 PRO HD3 H 1 3.872 0.020 . 2 . . . A 31 PRO HD3 . 30023 1 387 . 1 1 31 31 PRO CA C 13 61.501 0.3 . 1 . . . A 31 PRO CA . 30023 1 388 . 1 1 31 31 PRO CB C 13 31.068 0.3 . 1 . . . A 31 PRO CB . 30023 1 389 . 1 1 31 31 PRO CG C 13 27.870 0.3 . 1 . . . A 31 PRO CG . 30023 1 390 . 1 1 31 31 PRO CD C 13 50.938 0.3 . 1 . . . A 31 PRO CD . 30023 1 391 . 1 1 32 32 VAL H H 1 8.484 0.020 . 1 . . . A 32 VAL H . 30023 1 392 . 1 1 32 32 VAL HA H 1 4.369 0.020 . 1 . . . A 32 VAL HA . 30023 1 393 . 1 1 32 32 VAL HB H 1 2.243 0.020 . 1 . . . A 32 VAL HB . 30023 1 394 . 1 1 32 32 VAL HG11 H 1 0.875 0.020 . 1 . . . A 32 VAL HG11 . 30023 1 395 . 1 1 32 32 VAL HG12 H 1 0.875 0.020 . 1 . . . A 32 VAL HG12 . 30023 1 396 . 1 1 32 32 VAL HG13 H 1 0.875 0.020 . 1 . . . A 32 VAL HG13 . 30023 1 397 . 1 1 32 32 VAL HG21 H 1 0.648 0.020 . 1 . . . A 32 VAL HG21 . 30023 1 398 . 1 1 32 32 VAL HG22 H 1 0.648 0.020 . 1 . . . A 32 VAL HG22 . 30023 1 399 . 1 1 32 32 VAL HG23 H 1 0.648 0.020 . 1 . . . A 32 VAL HG23 . 30023 1 400 . 1 1 32 32 VAL CA C 13 61.246 0.3 . 1 . . . A 32 VAL CA . 30023 1 401 . 1 1 32 32 VAL CB C 13 31.077 0.3 . 1 . . . A 32 VAL CB . 30023 1 402 . 1 1 32 32 VAL CG1 C 13 21.730 0.3 . 1 . . . A 32 VAL CG1 . 30023 1 403 . 1 1 32 32 VAL CG2 C 13 18.569 0.3 . 1 . . . A 32 VAL CG2 . 30023 1 404 . 1 1 32 32 VAL N N 15 119.856 0.3 . 1 . . . A 32 VAL N . 30023 1 405 . 1 1 33 33 GLY H H 1 7.404 0.020 . 1 . . . A 33 GLY H . 30023 1 406 . 1 1 33 33 GLY HA2 H 1 4.058 0.020 . 2 . . . A 33 GLY HA2 . 30023 1 407 . 1 1 33 33 GLY HA3 H 1 3.799 0.020 . 2 . . . A 33 GLY HA3 . 30023 1 408 . 1 1 33 33 GLY C C 13 170.966 0.3 . 1 . . . A 33 GLY C . 30023 1 409 . 1 1 33 33 GLY CA C 13 45.352 0.3 . 1 . . . A 33 GLY CA . 30023 1 410 . 1 1 33 33 GLY N N 15 110.033 0.3 . 1 . . . A 33 GLY N . 30023 1 411 . 1 1 34 34 THR H H 1 8.181 0.020 . 1 . . . A 34 THR H . 30023 1 412 . 1 1 34 34 THR HA H 1 5.519 0.020 . 1 . . . A 34 THR HA . 30023 1 413 . 1 1 34 34 THR HB H 1 3.832 0.020 . 1 . . . A 34 THR HB . 30023 1 414 . 1 1 34 34 THR HG21 H 1 0.991 0.020 . 1 . . . A 34 THR HG21 . 30023 1 415 . 1 1 34 34 THR HG22 H 1 0.991 0.020 . 1 . . . A 34 THR HG22 . 30023 1 416 . 1 1 34 34 THR HG23 H 1 0.991 0.020 . 1 . . . A 34 THR HG23 . 30023 1 417 . 1 1 34 34 THR C C 13 174.584 0.3 . 1 . . . A 34 THR C . 30023 1 418 . 1 1 34 34 THR CA C 13 60.919 0.3 . 1 . . . A 34 THR CA . 30023 1 419 . 1 1 34 34 THR CB C 13 70.096 0.3 . 1 . . . A 34 THR CB . 30023 1 420 . 1 1 34 34 THR CG2 C 13 22.651 0.3 . 1 . . . A 34 THR CG2 . 30023 1 421 . 1 1 34 34 THR N N 15 118.628 0.3 . 1 . . . A 34 THR N . 30023 1 422 . 1 1 35 35 VAL H H 1 8.784 0.020 . 1 . . . A 35 VAL H . 30023 1 423 . 1 1 35 35 VAL HA H 1 4.680 0.020 . 1 . . . A 35 VAL HA . 30023 1 424 . 1 1 35 35 VAL HB H 1 2.067 0.020 . 1 . . . A 35 VAL HB . 30023 1 425 . 1 1 35 35 VAL HG11 H 1 0.807 0.020 . 1 . . . A 35 VAL HG11 . 30023 1 426 . 1 1 35 35 VAL HG12 H 1 0.807 0.020 . 1 . . . A 35 VAL HG12 . 30023 1 427 . 1 1 35 35 VAL HG13 H 1 0.807 0.020 . 1 . . . A 35 VAL HG13 . 30023 1 428 . 1 1 35 35 VAL HG21 H 1 0.840 0.020 . 1 . . . A 35 VAL HG21 . 30023 1 429 . 1 1 35 35 VAL HG22 H 1 0.840 0.020 . 1 . . . A 35 VAL HG22 . 30023 1 430 . 1 1 35 35 VAL HG23 H 1 0.840 0.020 . 1 . . . A 35 VAL HG23 . 30023 1 431 . 1 1 35 35 VAL C C 13 174.203 0.3 . 1 . . . A 35 VAL C . 30023 1 432 . 1 1 35 35 VAL CA C 13 59.732 0.3 . 1 . . . A 35 VAL CA . 30023 1 433 . 1 1 35 35 VAL CB C 13 35.024 0.3 . 1 . . . A 35 VAL CB . 30023 1 434 . 1 1 35 35 VAL CG1 C 13 21.881 0.3 . 1 . . . A 35 VAL CG1 . 30023 1 435 . 1 1 35 35 VAL CG2 C 13 20.376 0.3 . 1 . . . A 35 VAL CG2 . 30023 1 436 . 1 1 35 35 VAL N N 15 121.029 0.3 . 1 . . . A 35 VAL N . 30023 1 437 . 1 1 36 36 ASP H H 1 8.175 0.020 . 1 . . . A 36 ASP H . 30023 1 438 . 1 1 36 36 ASP HA H 1 4.408 0.020 . 1 . . . A 36 ASP HA . 30023 1 439 . 1 1 36 36 ASP HB2 H 1 3.253 0.020 . 2 . . . A 36 ASP HB2 . 30023 1 440 . 1 1 36 36 ASP HB3 H 1 2.595 0.020 . 2 . . . A 36 ASP HB3 . 30023 1 441 . 1 1 36 36 ASP C C 13 174.203 0.3 . 1 . . . A 36 ASP C . 30023 1 442 . 1 1 36 36 ASP CA C 13 53.300 0.3 . 1 . . . A 36 ASP CA . 30023 1 443 . 1 1 36 36 ASP CB C 13 42.030 0.3 . 1 . . . A 36 ASP CB . 30023 1 444 . 1 1 36 36 ASP N N 15 116.467 0.3 . 1 . . . A 36 ASP N . 30023 1 445 . 1 1 37 37 THR H H 1 7.132 0.020 . 1 . . . A 37 THR H . 30023 1 446 . 1 1 37 37 THR HA H 1 4.859 0.020 . 1 . . . A 37 THR HA . 30023 1 447 . 1 1 37 37 THR HB H 1 4.477 0.020 . 1 . . . A 37 THR HB . 30023 1 448 . 1 1 37 37 THR HG21 H 1 1.210 0.020 . 1 . . . A 37 THR HG21 . 30023 1 449 . 1 1 37 37 THR HG22 H 1 1.210 0.020 . 1 . . . A 37 THR HG22 . 30023 1 450 . 1 1 37 37 THR HG23 H 1 1.210 0.020 . 1 . . . A 37 THR HG23 . 30023 1 451 . 1 1 37 37 THR C C 13 174.417 0.3 . 1 . . . A 37 THR C . 30023 1 452 . 1 1 37 37 THR CA C 13 58.404 0.3 . 1 . . . A 37 THR CA . 30023 1 453 . 1 1 37 37 THR CB C 13 73.702 0.3 . 1 . . . A 37 THR CB . 30023 1 454 . 1 1 37 37 THR CG2 C 13 21.331 0.3 . 1 . . . A 37 THR CG2 . 30023 1 455 . 1 1 37 37 THR N N 15 105.061 0.3 . 1 . . . A 37 THR N . 30023 1 456 . 1 1 38 38 VAL H H 1 8.796 0.020 . 1 . . . A 38 VAL H . 30023 1 457 . 1 1 38 38 VAL HA H 1 3.120 0.020 . 1 . . . A 38 VAL HA . 30023 1 458 . 1 1 38 38 VAL HB H 1 2.022 0.020 . 1 . . . A 38 VAL HB . 30023 1 459 . 1 1 38 38 VAL HG11 H 1 0.866 0.020 . 1 . . . A 38 VAL HG11 . 30023 1 460 . 1 1 38 38 VAL HG12 H 1 0.866 0.020 . 1 . . . A 38 VAL HG12 . 30023 1 461 . 1 1 38 38 VAL HG13 H 1 0.866 0.020 . 1 . . . A 38 VAL HG13 . 30023 1 462 . 1 1 38 38 VAL HG21 H 1 0.760 0.020 . 1 . . . A 38 VAL HG21 . 30023 1 463 . 1 1 38 38 VAL HG22 H 1 0.760 0.020 . 1 . . . A 38 VAL HG22 . 30023 1 464 . 1 1 38 38 VAL HG23 H 1 0.760 0.020 . 1 . . . A 38 VAL HG23 . 30023 1 465 . 1 1 38 38 VAL C C 13 176.678 0.3 . 1 . . . A 38 VAL C . 30023 1 466 . 1 1 38 38 VAL CA C 13 66.884 0.3 . 1 . . . A 38 VAL CA . 30023 1 467 . 1 1 38 38 VAL CB C 13 31.359 0.3 . 1 . . . A 38 VAL CB . 30023 1 468 . 1 1 38 38 VAL CG1 C 13 24.674 0.3 . 1 . . . A 38 VAL CG1 . 30023 1 469 . 1 1 38 38 VAL CG2 C 13 21.336 0.3 . 1 . . . A 38 VAL CG2 . 30023 1 470 . 1 1 38 38 VAL N N 15 122.907 0.3 . 1 . . . A 38 VAL N . 30023 1 471 . 1 1 39 39 ALA H H 1 8.876 0.020 . 1 . . . A 39 ALA H . 30023 1 472 . 1 1 39 39 ALA HA H 1 3.889 0.020 . 1 . . . A 39 ALA HA . 30023 1 473 . 1 1 39 39 ALA HB1 H 1 1.308 0.020 . 1 . . . A 39 ALA HB1 . 30023 1 474 . 1 1 39 39 ALA HB2 H 1 1.308 0.020 . 1 . . . A 39 ALA HB2 . 30023 1 475 . 1 1 39 39 ALA HB3 H 1 1.308 0.020 . 1 . . . A 39 ALA HB3 . 30023 1 476 . 1 1 39 39 ALA C C 13 181.415 0.3 . 1 . . . A 39 ALA C . 30023 1 477 . 1 1 39 39 ALA CA C 13 55.420 0.3 . 1 . . . A 39 ALA CA . 30023 1 478 . 1 1 39 39 ALA CB C 13 17.961 0.3 . 1 . . . A 39 ALA CB . 30023 1 479 . 1 1 39 39 ALA N N 15 120.224 0.3 . 1 . . . A 39 ALA N . 30023 1 480 . 1 1 40 40 GLY H H 1 8.409 0.020 . 1 . . . A 40 GLY H . 30023 1 481 . 1 1 40 40 GLY HA2 H 1 3.753 0.020 . 2 . . . A 40 GLY HA2 . 30023 1 482 . 1 1 40 40 GLY HA3 H 1 3.644 0.020 . 2 . . . A 40 GLY HA3 . 30023 1 483 . 1 1 40 40 GLY C C 13 176.678 0.3 . 1 . . . A 40 GLY C . 30023 1 484 . 1 1 40 40 GLY CA C 13 45.993 0.3 . 1 . . . A 40 GLY CA . 30023 1 485 . 1 1 40 40 GLY N N 15 106.161 0.3 . 1 . . . A 40 GLY N . 30023 1 486 . 1 1 41 41 ALA H H 1 8.189 0.020 . 1 . . . A 41 ALA H . 30023 1 487 . 1 1 41 41 ALA HA H 1 3.885 0.020 . 1 . . . A 41 ALA HA . 30023 1 488 . 1 1 41 41 ALA HB1 H 1 1.296 0.020 . 1 . . . A 41 ALA HB1 . 30023 1 489 . 1 1 41 41 ALA HB2 H 1 1.296 0.020 . 1 . . . A 41 ALA HB2 . 30023 1 490 . 1 1 41 41 ALA HB3 H 1 1.296 0.020 . 1 . . . A 41 ALA HB3 . 30023 1 491 . 1 1 41 41 ALA C C 13 178.606 0.3 . 1 . . . A 41 ALA C . 30023 1 492 . 1 1 41 41 ALA CA C 13 55.439 0.3 . 1 . . . A 41 ALA CA . 30023 1 493 . 1 1 41 41 ALA CB C 13 19.759 0.3 . 1 . . . A 41 ALA CB . 30023 1 494 . 1 1 41 41 ALA N N 15 125.451 0.3 . 1 . . . A 41 ALA N . 30023 1 495 . 1 1 42 42 LEU H H 1 8.706 0.020 . 1 . . . A 42 LEU H . 30023 1 496 . 1 1 42 42 LEU HA H 1 3.690 0.020 . 1 . . . A 42 LEU HA . 30023 1 497 . 1 1 42 42 LEU HB2 H 1 1.728 0.020 . 2 . . . A 42 LEU HB2 . 30023 1 498 . 1 1 42 42 LEU HB3 H 1 1.348 0.020 . 2 . . . A 42 LEU HB3 . 30023 1 499 . 1 1 42 42 LEU HG H 1 1.730 0.020 . 1 . . . A 42 LEU HG . 30023 1 500 . 1 1 42 42 LEU HD11 H 1 0.679 0.020 . 1 . . . A 42 LEU HD11 . 30023 1 501 . 1 1 42 42 LEU HD12 H 1 0.679 0.020 . 1 . . . A 42 LEU HD12 . 30023 1 502 . 1 1 42 42 LEU HD13 H 1 0.679 0.020 . 1 . . . A 42 LEU HD13 . 30023 1 503 . 1 1 42 42 LEU HD21 H 1 0.578 0.020 . 1 . . . A 42 LEU HD21 . 30023 1 504 . 1 1 42 42 LEU HD22 H 1 0.578 0.020 . 1 . . . A 42 LEU HD22 . 30023 1 505 . 1 1 42 42 LEU HD23 H 1 0.578 0.020 . 1 . . . A 42 LEU HD23 . 30023 1 506 . 1 1 42 42 LEU C C 13 179.368 0.3 . 1 . . . A 42 LEU C . 30023 1 507 . 1 1 42 42 LEU CA C 13 57.983 0.3 . 1 . . . A 42 LEU CA . 30023 1 508 . 1 1 42 42 LEU CB C 13 40.535 0.3 . 1 . . . A 42 LEU CB . 30023 1 509 . 1 1 42 42 LEU CG C 13 26.307 0.3 . 1 . . . A 42 LEU CG . 30023 1 510 . 1 1 42 42 LEU CD1 C 13 25.585 0.3 . 1 . . . A 42 LEU CD1 . 30023 1 511 . 1 1 42 42 LEU CD2 C 13 22.839 0.3 . 1 . . . A 42 LEU CD2 . 30023 1 512 . 1 1 42 42 LEU N N 15 117.424 0.3 . 1 . . . A 42 LEU N . 30023 1 513 . 1 1 43 43 ALA H H 1 7.419 0.020 . 1 . . . A 43 ALA H . 30023 1 514 . 1 1 43 43 ALA HA H 1 4.041 0.020 . 1 . . . A 43 ALA HA . 30023 1 515 . 1 1 43 43 ALA HB1 H 1 1.374 0.020 . 1 . . . A 43 ALA HB1 . 30023 1 516 . 1 1 43 43 ALA HB2 H 1 1.374 0.020 . 1 . . . A 43 ALA HB2 . 30023 1 517 . 1 1 43 43 ALA HB3 H 1 1.374 0.020 . 1 . . . A 43 ALA HB3 . 30023 1 518 . 1 1 43 43 ALA C C 13 179.868 0.3 . 1 . . . A 43 ALA C . 30023 1 519 . 1 1 43 43 ALA CA C 13 54.662 0.3 . 1 . . . A 43 ALA CA . 30023 1 520 . 1 1 43 43 ALA CB C 13 17.789 0.3 . 1 . . . A 43 ALA CB . 30023 1 521 . 1 1 43 43 ALA N N 15 119.717 0.3 . 1 . . . A 43 ALA N . 30023 1 522 . 1 1 44 44 ARG H H 1 7.426 0.020 . 1 . . . A 44 ARG H . 30023 1 523 . 1 1 44 44 ARG HA H 1 4.273 0.020 . 1 . . . A 44 ARG HA . 30023 1 524 . 1 1 44 44 ARG HB2 H 1 1.891 0.020 . 2 . . . A 44 ARG HB2 . 30023 1 525 . 1 1 44 44 ARG HB3 H 1 1.792 0.020 . 2 . . . A 44 ARG HB3 . 30023 1 526 . 1 1 44 44 ARG HG2 H 1 1.668 0.020 . 2 . . . A 44 ARG HG2 . 30023 1 527 . 1 1 44 44 ARG HG3 H 1 1.296 0.020 . 2 . . . A 44 ARG HG3 . 30023 1 528 . 1 1 44 44 ARG HD2 H 1 3.359 0.020 . 2 . . . A 44 ARG HD2 . 30023 1 529 . 1 1 44 44 ARG HD3 H 1 3.151 0.020 . 2 . . . A 44 ARG HD3 . 30023 1 530 . 1 1 44 44 ARG HE H 1 7.426 0.020 . 1 . . . A 44 ARG HE . 30023 1 531 . 1 1 44 44 ARG C C 13 179.654 0.3 . 1 . . . A 44 ARG C . 30023 1 532 . 1 1 44 44 ARG CA C 13 56.205 0.3 . 1 . . . A 44 ARG CA . 30023 1 533 . 1 1 44 44 ARG CB C 13 28.608 0.3 . 1 . . . A 44 ARG CB . 30023 1 534 . 1 1 44 44 ARG CG C 13 27.288 0.3 . 1 . . . A 44 ARG CG . 30023 1 535 . 1 1 44 44 ARG CD C 13 41.229 0.3 . 1 . . . A 44 ARG CD . 30023 1 536 . 1 1 44 44 ARG N N 15 116.442 0.3 . 1 . . . A 44 ARG N . 30023 1 537 . 1 1 44 44 ARG NE N 15 82.847 0.3 . 1 . . . A 44 ARG NE . 30023 1 538 . 1 1 45 45 VAL H H 1 8.355 0.020 . 1 . . . A 45 VAL H . 30023 1 539 . 1 1 45 45 VAL HA H 1 3.322 0.020 . 1 . . . A 45 VAL HA . 30023 1 540 . 1 1 45 45 VAL HB H 1 2.013 0.020 . 1 . . . A 45 VAL HB . 30023 1 541 . 1 1 45 45 VAL HG11 H 1 0.695 0.020 . 1 . . . A 45 VAL HG11 . 30023 1 542 . 1 1 45 45 VAL HG12 H 1 0.695 0.020 . 1 . . . A 45 VAL HG12 . 30023 1 543 . 1 1 45 45 VAL HG13 H 1 0.695 0.020 . 1 . . . A 45 VAL HG13 . 30023 1 544 . 1 1 45 45 VAL HG21 H 1 0.624 0.020 . 1 . . . A 45 VAL HG21 . 30023 1 545 . 1 1 45 45 VAL HG22 H 1 0.624 0.020 . 1 . . . A 45 VAL HG22 . 30023 1 546 . 1 1 45 45 VAL HG23 H 1 0.624 0.020 . 1 . . . A 45 VAL HG23 . 30023 1 547 . 1 1 45 45 VAL C C 13 177.750 0.3 . 1 . . . A 45 VAL C . 30023 1 548 . 1 1 45 45 VAL CA C 13 66.299 0.3 . 1 . . . A 45 VAL CA . 30023 1 549 . 1 1 45 45 VAL CB C 13 31.196 0.3 . 1 . . . A 45 VAL CB . 30023 1 550 . 1 1 45 45 VAL CG1 C 13 22.969 0.3 . 1 . . . A 45 VAL CG1 . 30023 1 551 . 1 1 45 45 VAL CG2 C 13 21.003 0.3 . 1 . . . A 45 VAL CG2 . 30023 1 552 . 1 1 45 45 VAL N N 15 120.174 0.3 . 1 . . . A 45 VAL N . 30023 1 553 . 1 1 46 46 GLU H H 1 7.476 0.020 . 1 . . . A 46 GLU H . 30023 1 554 . 1 1 46 46 GLU HA H 1 3.854 0.020 . 1 . . . A 46 GLU HA . 30023 1 555 . 1 1 46 46 GLU HB2 H 1 2.009 0.020 . 1 . . . A 46 GLU HB2 . 30023 1 556 . 1 1 46 46 GLU HB3 H 1 2.009 0.020 . 1 . . . A 46 GLU HB3 . 30023 1 557 . 1 1 46 46 GLU HG2 H 1 2.323 0.020 . 2 . . . A 46 GLU HG2 . 30023 1 558 . 1 1 46 46 GLU HG3 H 1 2.209 0.020 . 2 . . . A 46 GLU HG3 . 30023 1 559 . 1 1 46 46 GLU C C 13 177.654 0.3 . 1 . . . A 46 GLU C . 30023 1 560 . 1 1 46 46 GLU CA C 13 58.335 0.3 . 1 . . . A 46 GLU CA . 30023 1 561 . 1 1 46 46 GLU CB C 13 29.166 0.3 . 1 . . . A 46 GLU CB . 30023 1 562 . 1 1 46 46 GLU CG C 13 35.849 0.3 . 1 . . . A 46 GLU CG . 30023 1 563 . 1 1 46 46 GLU N N 15 118.109 0.3 . 1 . . . A 46 GLU N . 30023 1 564 . 1 1 47 47 ASP H H 1 7.247 0.020 . 1 . . . A 47 ASP H . 30023 1 565 . 1 1 47 47 ASP HA H 1 4.531 0.020 . 1 . . . A 47 ASP HA . 30023 1 566 . 1 1 47 47 ASP HB2 H 1 2.707 0.020 . 1 . . . A 47 ASP HB2 . 30023 1 567 . 1 1 47 47 ASP HB3 H 1 2.707 0.020 . 1 . . . A 47 ASP HB3 . 30023 1 568 . 1 1 47 47 ASP C C 13 177.797 0.3 . 1 . . . A 47 ASP C . 30023 1 569 . 1 1 47 47 ASP CA C 13 55.604 0.3 . 1 . . . A 47 ASP CA . 30023 1 570 . 1 1 47 47 ASP CB C 13 41.394 0.3 . 1 . . . A 47 ASP CB . 30023 1 571 . 1 1 47 47 ASP N N 15 117.308 0.3 . 1 . . . A 47 ASP N . 30023 1 572 . 1 1 48 48 GLY H H 1 7.412 0.020 . 1 . . . A 48 GLY H . 30023 1 573 . 1 1 48 48 GLY HA2 H 1 4.150 0.020 . 2 . . . A 48 GLY HA2 . 30023 1 574 . 1 1 48 48 GLY HA3 H 1 3.785 0.020 . 2 . . . A 48 GLY HA3 . 30023 1 575 . 1 1 48 48 GLY C C 13 173.751 0.3 . 1 . . . A 48 GLY C . 30023 1 576 . 1 1 48 48 GLY CA C 13 44.839 0.3 . 1 . . . A 48 GLY CA . 30023 1 577 . 1 1 48 48 GLY N N 15 105.387 0.3 . 1 . . . A 48 GLY N . 30023 1 578 . 1 1 49 49 GLY H H 1 8.463 0.020 . 1 . . . A 49 GLY H . 30023 1 579 . 1 1 49 49 GLY HA2 H 1 3.897 0.020 . 2 . . . A 49 GLY HA2 . 30023 1 580 . 1 1 49 49 GLY HA3 H 1 3.687 0.020 . 2 . . . A 49 GLY HA3 . 30023 1 581 . 1 1 49 49 GLY C C 13 173.822 0.3 . 1 . . . A 49 GLY C . 30023 1 582 . 1 1 49 49 GLY CA C 13 46.258 0.3 . 1 . . . A 49 GLY CA . 30023 1 583 . 1 1 49 49 GLY N N 15 107.225 0.3 . 1 . . . A 49 GLY N . 30023 1 584 . 1 1 50 50 ILE H H 1 7.568 0.020 . 1 . . . A 50 ILE H . 30023 1 585 . 1 1 50 50 ILE HA H 1 3.950 0.020 . 1 . . . A 50 ILE HA . 30023 1 586 . 1 1 50 50 ILE HB H 1 1.543 0.020 . 1 . . . A 50 ILE HB . 30023 1 587 . 1 1 50 50 ILE HG12 H 1 1.286 0.020 . 1 . . . A 50 ILE HG12 . 30023 1 588 . 1 1 50 50 ILE HG13 H 1 1.286 0.020 . 1 . . . A 50 ILE HG13 . 30023 1 589 . 1 1 50 50 ILE HG21 H 1 0.674 0.020 . 1 . . . A 50 ILE HG21 . 30023 1 590 . 1 1 50 50 ILE HG22 H 1 0.674 0.020 . 1 . . . A 50 ILE HG22 . 30023 1 591 . 1 1 50 50 ILE HG23 H 1 0.674 0.020 . 1 . . . A 50 ILE HG23 . 30023 1 592 . 1 1 50 50 ILE HD11 H 1 0.599 0.020 . 1 . . . A 50 ILE HD11 . 30023 1 593 . 1 1 50 50 ILE HD12 H 1 0.599 0.020 . 1 . . . A 50 ILE HD12 . 30023 1 594 . 1 1 50 50 ILE HD13 H 1 0.599 0.020 . 1 . . . A 50 ILE HD13 . 30023 1 595 . 1 1 50 50 ILE C C 13 174.703 0.3 . 1 . . . A 50 ILE C . 30023 1 596 . 1 1 50 50 ILE CA C 13 59.833 0.3 . 1 . . . A 50 ILE CA . 30023 1 597 . 1 1 50 50 ILE CB C 13 41.099 0.3 . 1 . . . A 50 ILE CB . 30023 1 598 . 1 1 50 50 ILE CG1 C 13 26.593 0.3 . 1 . . . A 50 ILE CG1 . 30023 1 599 . 1 1 50 50 ILE CG2 C 13 19.157 0.3 . 1 . . . A 50 ILE CG2 . 30023 1 600 . 1 1 50 50 ILE CD1 C 13 15.349 0.3 . 1 . . . A 50 ILE CD1 . 30023 1 601 . 1 1 50 50 ILE N N 15 115.725 0.3 . 1 . . . A 50 ILE N . 30023 1 602 . 1 1 51 51 ASP H H 1 9.291 0.020 . 1 . . . A 51 ASP H . 30023 1 603 . 1 1 51 51 ASP HA H 1 4.766 0.020 . 1 . . . A 51 ASP HA . 30023 1 604 . 1 1 51 51 ASP HB2 H 1 2.767 0.020 . 2 . . . A 51 ASP HB2 . 30023 1 605 . 1 1 51 51 ASP HB3 H 1 2.566 0.020 . 2 . . . A 51 ASP HB3 . 30023 1 606 . 1 1 51 51 ASP C C 13 175.345 0.3 . 1 . . . A 51 ASP C . 30023 1 607 . 1 1 51 51 ASP CA C 13 55.300 0.3 . 1 . . . A 51 ASP CA . 30023 1 608 . 1 1 51 51 ASP CB C 13 42.472 0.3 . 1 . . . A 51 ASP CB . 30023 1 609 . 1 1 51 51 ASP N N 15 124.345 0.3 . 1 . . . A 51 ASP N . 30023 1 610 . 1 1 52 52 ALA H H 1 7.712 0.020 . 1 . . . A 52 ALA H . 30023 1 611 . 1 1 52 52 ALA HA H 1 4.968 0.020 . 1 . . . A 52 ALA HA . 30023 1 612 . 1 1 52 52 ALA HB1 H 1 1.101 0.020 . 1 . . . A 52 ALA HB1 . 30023 1 613 . 1 1 52 52 ALA HB2 H 1 1.101 0.020 . 1 . . . A 52 ALA HB2 . 30023 1 614 . 1 1 52 52 ALA HB3 H 1 1.101 0.020 . 1 . . . A 52 ALA HB3 . 30023 1 615 . 1 1 52 52 ALA C C 13 174.774 0.3 . 1 . . . A 52 ALA C . 30023 1 616 . 1 1 52 52 ALA CA C 13 50.789 0.3 . 1 . . . A 52 ALA CA . 30023 1 617 . 1 1 52 52 ALA CB C 13 22.345 0.3 . 1 . . . A 52 ALA CB . 30023 1 618 . 1 1 52 52 ALA N N 15 115.691 0.3 . 1 . . . A 52 ALA N . 30023 1 619 . 1 1 53 53 ALA H H 1 7.770 0.020 . 1 . . . A 53 ALA H . 30023 1 620 . 1 1 53 53 ALA HA H 1 5.523 0.020 . 1 . . . A 53 ALA HA . 30023 1 621 . 1 1 53 53 ALA HB1 H 1 0.991 0.020 . 1 . . . A 53 ALA HB1 . 30023 1 622 . 1 1 53 53 ALA HB2 H 1 0.991 0.020 . 1 . . . A 53 ALA HB2 . 30023 1 623 . 1 1 53 53 ALA HB3 H 1 0.991 0.020 . 1 . . . A 53 ALA HB3 . 30023 1 624 . 1 1 53 53 ALA C C 13 174.774 0.3 . 1 . . . A 53 ALA C . 30023 1 625 . 1 1 53 53 ALA CA C 13 49.943 0.3 . 1 . . . A 53 ALA CA . 30023 1 626 . 1 1 53 53 ALA CB C 13 23.900 0.3 . 1 . . . A 53 ALA CB . 30023 1 627 . 1 1 53 53 ALA N N 15 117.743 0.3 . 1 . . . A 53 ALA N . 30023 1 628 . 1 1 54 54 ILE H H 1 8.303 0.020 . 1 . . . A 54 ILE H . 30023 1 629 . 1 1 54 54 ILE HA H 1 4.407 0.020 . 1 . . . A 54 ILE HA . 30023 1 630 . 1 1 54 54 ILE HB H 1 1.501 0.020 . 1 . . . A 54 ILE HB . 30023 1 631 . 1 1 54 54 ILE HG12 H 1 0.711 0.020 . 2 . . . A 54 ILE HG12 . 30023 1 632 . 1 1 54 54 ILE HG13 H 1 1.281 0.020 . 2 . . . A 54 ILE HG13 . 30023 1 633 . 1 1 54 54 ILE HG21 H 1 0.576 0.020 . 1 . . . A 54 ILE HG21 . 30023 1 634 . 1 1 54 54 ILE HG22 H 1 0.576 0.020 . 1 . . . A 54 ILE HG22 . 30023 1 635 . 1 1 54 54 ILE HG23 H 1 0.576 0.020 . 1 . . . A 54 ILE HG23 . 30023 1 636 . 1 1 54 54 ILE HD11 H 1 0.578 0.020 . 1 . . . A 54 ILE HD11 . 30023 1 637 . 1 1 54 54 ILE HD12 H 1 0.578 0.020 . 1 . . . A 54 ILE HD12 . 30023 1 638 . 1 1 54 54 ILE HD13 H 1 0.578 0.020 . 1 . . . A 54 ILE HD13 . 30023 1 639 . 1 1 54 54 ILE C C 13 173.275 0.3 . 1 . . . A 54 ILE C . 30023 1 640 . 1 1 54 54 ILE CA C 13 60.611 0.3 . 1 . . . A 54 ILE CA . 30023 1 641 . 1 1 54 54 ILE CB C 13 39.270 0.3 . 1 . . . A 54 ILE CB . 30023 1 642 . 1 1 54 54 ILE CG1 C 13 26.721 0.3 . 1 . . . A 54 ILE CG1 . 30023 1 643 . 1 1 54 54 ILE CG2 C 13 16.599 0.3 . 1 . . . A 54 ILE CG2 . 30023 1 644 . 1 1 54 54 ILE CD1 C 13 13.558 0.3 . 1 . . . A 54 ILE CD1 . 30023 1 645 . 1 1 54 54 ILE N N 15 119.534 0.3 . 1 . . . A 54 ILE N . 30023 1 646 . 1 1 55 55 LEU H H 1 9.006 0.020 . 1 . . . A 55 LEU H . 30023 1 647 . 1 1 55 55 LEU HA H 1 4.919 0.020 . 1 . . . A 55 LEU HA . 30023 1 648 . 1 1 55 55 LEU HB2 H 1 1.486 0.020 . 2 . . . A 55 LEU HB2 . 30023 1 649 . 1 1 55 55 LEU HB3 H 1 0.954 0.020 . 2 . . . A 55 LEU HB3 . 30023 1 650 . 1 1 55 55 LEU HG H 1 1.366 0.020 . 1 . . . A 55 LEU HG . 30023 1 651 . 1 1 55 55 LEU HD11 H 1 0.390 0.020 . 1 . . . A 55 LEU HD11 . 30023 1 652 . 1 1 55 55 LEU HD12 H 1 0.390 0.020 . 1 . . . A 55 LEU HD12 . 30023 1 653 . 1 1 55 55 LEU HD13 H 1 0.390 0.020 . 1 . . . A 55 LEU HD13 . 30023 1 654 . 1 1 55 55 LEU HD21 H 1 0.153 0.020 . 1 . . . A 55 LEU HD21 . 30023 1 655 . 1 1 55 55 LEU HD22 H 1 0.153 0.020 . 1 . . . A 55 LEU HD22 . 30023 1 656 . 1 1 55 55 LEU HD23 H 1 0.153 0.020 . 1 . . . A 55 LEU HD23 . 30023 1 657 . 1 1 55 55 LEU C C 13 175.155 0.3 . 1 . . . A 55 LEU C . 30023 1 658 . 1 1 55 55 LEU CA C 13 52.860 0.3 . 1 . . . A 55 LEU CA . 30023 1 659 . 1 1 55 55 LEU CB C 13 45.321 0.3 . 1 . . . A 55 LEU CB . 30023 1 660 . 1 1 55 55 LEU CG C 13 26.826 0.3 . 1 . . . A 55 LEU CG . 30023 1 661 . 1 1 55 55 LEU CD1 C 13 25.254 0.3 . 1 . . . A 55 LEU CD1 . 30023 1 662 . 1 1 55 55 LEU CD2 C 13 25.846 0.3 . 1 . . . A 55 LEU CD2 . 30023 1 663 . 1 1 55 55 LEU N N 15 127.705 0.3 . 1 . . . A 55 LEU N . 30023 1 664 . 1 1 56 56 ASP H H 1 8.698 0.020 . 1 . . . A 56 ASP H . 30023 1 665 . 1 1 56 56 ASP HA H 1 5.275 0.020 . 1 . . . A 56 ASP HA . 30023 1 666 . 1 1 56 56 ASP HB2 H 1 2.902 0.020 . 2 . . . A 56 ASP HB2 . 30023 1 667 . 1 1 56 56 ASP HB3 H 1 2.835 0.020 . 2 . . . A 56 ASP HB3 . 30023 1 668 . 1 1 56 56 ASP C C 13 177.369 0.3 . 1 . . . A 56 ASP C . 30023 1 669 . 1 1 56 56 ASP CA C 13 53.895 0.3 . 1 . . . A 56 ASP CA . 30023 1 670 . 1 1 56 56 ASP CB C 13 39.664 0.3 . 1 . . . A 56 ASP CB . 30023 1 671 . 1 1 56 56 ASP N N 15 126.945 0.3 . 1 . . . A 56 ASP N . 30023 1 672 . 1 1 57 57 VAL H H 1 8.252 0.020 . 1 . . . A 57 VAL H . 30023 1 673 . 1 1 57 57 VAL HA H 1 3.811 0.020 . 1 . . . A 57 VAL HA . 30023 1 674 . 1 1 57 57 VAL HB H 1 2.062 0.020 . 1 . . . A 57 VAL HB . 30023 1 675 . 1 1 57 57 VAL HG11 H 1 0.970 0.020 . 1 . . . A 57 VAL HG11 . 30023 1 676 . 1 1 57 57 VAL HG12 H 1 0.970 0.020 . 1 . . . A 57 VAL HG12 . 30023 1 677 . 1 1 57 57 VAL HG13 H 1 0.970 0.020 . 1 . . . A 57 VAL HG13 . 30023 1 678 . 1 1 57 57 VAL HG21 H 1 0.801 0.020 . 1 . . . A 57 VAL HG21 . 30023 1 679 . 1 1 57 57 VAL HG22 H 1 0.801 0.020 . 1 . . . A 57 VAL HG22 . 30023 1 680 . 1 1 57 57 VAL HG23 H 1 0.801 0.020 . 1 . . . A 57 VAL HG23 . 30023 1 681 . 1 1 57 57 VAL C C 13 175.869 0.3 . 1 . . . A 57 VAL C . 30023 1 682 . 1 1 57 57 VAL CA C 13 65.016 0.3 . 1 . . . A 57 VAL CA . 30023 1 683 . 1 1 57 57 VAL CB C 13 32.465 0.3 . 1 . . . A 57 VAL CB . 30023 1 684 . 1 1 57 57 VAL CG1 C 13 20.239 0.3 . 1 . . . A 57 VAL CG1 . 30023 1 685 . 1 1 57 57 VAL CG2 C 13 22.307 0.3 . 1 . . . A 57 VAL CG2 . 30023 1 686 . 1 1 57 57 VAL N N 15 122.286 0.3 . 1 . . . A 57 VAL N . 30023 1 687 . 1 1 58 58 ASN H H 1 8.588 0.020 . 1 . . . A 58 ASN H . 30023 1 688 . 1 1 58 58 ASN HA H 1 5.199 0.020 . 1 . . . A 58 ASN HA . 30023 1 689 . 1 1 58 58 ASN HB2 H 1 2.538 0.020 . 2 . . . A 58 ASN HB2 . 30023 1 690 . 1 1 58 58 ASN HB3 H 1 2.456 0.020 . 2 . . . A 58 ASN HB3 . 30023 1 691 . 1 1 58 58 ASN HD21 H 1 7.371 0.020 . 1 . . . A 58 ASN HD21 . 30023 1 692 . 1 1 58 58 ASN HD22 H 1 6.982 0.020 . 1 . . . A 58 ASN HD22 . 30023 1 693 . 1 1 58 58 ASN C C 13 173.584 0.3 . 1 . . . A 58 ASN C . 30023 1 694 . 1 1 58 58 ASN CA C 13 52.436 0.3 . 1 . . . A 58 ASN CA . 30023 1 695 . 1 1 58 58 ASN CB C 13 42.438 0.3 . 1 . . . A 58 ASN CB . 30023 1 696 . 1 1 58 58 ASN N N 15 117.756 0.3 . 1 . . . A 58 ASN N . 30023 1 697 . 1 1 58 58 ASN ND2 N 15 113.411 0.3 . 1 . . . A 58 ASN ND2 . 30023 1 698 . 1 1 59 59 LEU H H 1 8.810 0.020 . 1 . . . A 59 LEU H . 30023 1 699 . 1 1 59 59 LEU HA H 1 4.553 0.020 . 1 . . . A 59 LEU HA . 30023 1 700 . 1 1 59 59 LEU HB2 H 1 1.655 0.020 . 2 . . . A 59 LEU HB2 . 30023 1 701 . 1 1 59 59 LEU HB3 H 1 1.535 0.020 . 2 . . . A 59 LEU HB3 . 30023 1 702 . 1 1 59 59 LEU HD11 H 1 0.648 0.020 . 1 . . . A 59 LEU HD11 . 30023 1 703 . 1 1 59 59 LEU HD12 H 1 0.648 0.020 . 1 . . . A 59 LEU HD12 . 30023 1 704 . 1 1 59 59 LEU HD13 H 1 0.648 0.020 . 1 . . . A 59 LEU HD13 . 30023 1 705 . 1 1 59 59 LEU HD21 H 1 0.439 0.020 . 1 . . . A 59 LEU HD21 . 30023 1 706 . 1 1 59 59 LEU HD22 H 1 0.439 0.020 . 1 . . . A 59 LEU HD22 . 30023 1 707 . 1 1 59 59 LEU HD23 H 1 0.439 0.020 . 1 . . . A 59 LEU HD23 . 30023 1 708 . 1 1 59 59 LEU CA C 13 52.597 0.3 . 1 . . . A 59 LEU CA . 30023 1 709 . 1 1 59 59 LEU CB C 13 42.024 0.3 . 1 . . . A 59 LEU CB . 30023 1 710 . 1 1 59 59 LEU CG C 13 23.441 0.3 . 1 . . . A 59 LEU CG . 30023 1 711 . 1 1 59 59 LEU CD1 C 13 22.746 0.3 . 1 . . . A 59 LEU CD1 . 30023 1 712 . 1 1 59 59 LEU CD2 C 13 25.238 0.3 . 1 . . . A 59 LEU CD2 . 30023 1 713 . 1 1 59 59 LEU N N 15 121.259 0.3 . 1 . . . A 59 LEU N . 30023 1 714 . 1 1 60 60 ARG H H 1 8.079 0.020 . 1 . . . A 60 ARG H . 30023 1 715 . 1 1 60 60 ARG HA H 1 4.078 0.020 . 1 . . . A 60 ARG HA . 30023 1 716 . 1 1 60 60 ARG HB2 H 1 1.882 0.020 . 2 . . . A 60 ARG HB2 . 30023 1 717 . 1 1 60 60 ARG HB3 H 1 1.741 0.020 . 2 . . . A 60 ARG HB3 . 30023 1 718 . 1 1 60 60 ARG HG2 H 1 1.682 0.020 . 2 . . . A 60 ARG HG2 . 30023 1 719 . 1 1 60 60 ARG HG3 H 1 1.551 0.020 . 2 . . . A 60 ARG HG3 . 30023 1 720 . 1 1 60 60 ARG HD2 H 1 3.108 0.020 . 1 . . . A 60 ARG HD2 . 30023 1 721 . 1 1 60 60 ARG HD3 H 1 3.108 0.020 . 1 . . . A 60 ARG HD3 . 30023 1 722 . 1 1 60 60 ARG HE H 1 7.379 0.020 . 1 . . . A 60 ARG HE . 30023 1 723 . 1 1 60 60 ARG C C 13 178.630 0.3 . 1 . . . A 60 ARG C . 30023 1 724 . 1 1 60 60 ARG CA C 13 58.578 0.3 . 1 . . . A 60 ARG CA . 30023 1 725 . 1 1 60 60 ARG CB C 13 30.047 0.3 . 1 . . . A 60 ARG CB . 30023 1 726 . 1 1 60 60 ARG CG C 13 26.649 0.3 . 1 . . . A 60 ARG CG . 30023 1 727 . 1 1 60 60 ARG CD C 13 43.282 0.3 . 1 . . . A 60 ARG CD . 30023 1 728 . 1 1 60 60 ARG N N 15 115.315 0.3 . 1 . . . A 60 ARG N . 30023 1 729 . 1 1 60 60 ARG NE N 15 84.311 0.3 . 1 . . . A 60 ARG NE . 30023 1 730 . 1 1 61 61 GLY H H 1 9.119 0.020 . 1 . . . A 61 GLY H . 30023 1 731 . 1 1 61 61 GLY HA2 H 1 4.051 0.020 . 2 . . . A 61 GLY HA2 . 30023 1 732 . 1 1 61 61 GLY HA3 H 1 3.779 0.020 . 2 . . . A 61 GLY HA3 . 30023 1 733 . 1 1 61 61 GLY C C 13 175.155 0.3 . 1 . . . A 61 GLY C . 30023 1 734 . 1 1 61 61 GLY CA C 13 45.669 0.3 . 1 . . . A 61 GLY CA . 30023 1 735 . 1 1 61 61 GLY N N 15 113.714 0.3 . 1 . . . A 61 GLY N . 30023 1 736 . 1 1 62 62 GLY H H 1 8.308 0.020 . 1 . . . A 62 GLY H . 30023 1 737 . 1 1 62 62 GLY HA2 H 1 4.135 0.020 . 2 . . . A 62 GLY HA2 . 30023 1 738 . 1 1 62 62 GLY HA3 H 1 3.665 0.020 . 2 . . . A 62 GLY HA3 . 30023 1 739 . 1 1 62 62 GLY C C 13 174.298 0.3 . 1 . . . A 62 GLY C . 30023 1 740 . 1 1 62 62 GLY CA C 13 45.208 0.3 . 1 . . . A 62 GLY CA . 30023 1 741 . 1 1 62 62 GLY N N 15 107.513 0.3 . 1 . . . A 62 GLY N . 30023 1 742 . 1 1 63 63 GLU H H 1 6.867 0.020 . 1 . . . A 63 GLU H . 30023 1 743 . 1 1 63 63 GLU HA H 1 4.121 0.020 . 1 . . . A 63 GLU HA . 30023 1 744 . 1 1 63 63 GLU HB2 H 1 1.915 0.020 . 1 . . . A 63 GLU HB2 . 30023 1 745 . 1 1 63 63 GLU HB3 H 1 1.915 0.020 . 1 . . . A 63 GLU HB3 . 30023 1 746 . 1 1 63 63 GLU HG2 H 1 2.224 0.020 . 1 . . . A 63 GLU HG2 . 30023 1 747 . 1 1 63 63 GLU HG3 H 1 2.224 0.020 . 1 . . . A 63 GLU HG3 . 30023 1 748 . 1 1 63 63 GLU C C 13 175.893 0.3 . 1 . . . A 63 GLU C . 30023 1 749 . 1 1 63 63 GLU CA C 13 56.409 0.3 . 1 . . . A 63 GLU CA . 30023 1 750 . 1 1 63 63 GLU CB C 13 30.729 0.3 . 1 . . . A 63 GLU CB . 30023 1 751 . 1 1 63 63 GLU CG C 13 36.315 0.3 . 1 . . . A 63 GLU CG . 30023 1 752 . 1 1 63 63 GLU N N 15 120.787 0.3 . 1 . . . A 63 GLU N . 30023 1 753 . 1 1 64 64 LYS H H 1 8.619 0.020 . 1 . . . A 64 LYS H . 30023 1 754 . 1 1 64 64 LYS HA H 1 4.769 0.020 . 1 . . . A 64 LYS HA . 30023 1 755 . 1 1 64 64 LYS HB2 H 1 1.985 0.020 . 2 . . . A 64 LYS HB2 . 30023 1 756 . 1 1 64 64 LYS HB3 H 1 1.913 0.020 . 2 . . . A 64 LYS HB3 . 30023 1 757 . 1 1 64 64 LYS HG2 H 1 1.659 0.020 . 2 . . . A 64 LYS HG2 . 30023 1 758 . 1 1 64 64 LYS HG3 H 1 1.617 0.020 . 2 . . . A 64 LYS HG3 . 30023 1 759 . 1 1 64 64 LYS HD2 H 1 1.814 0.020 . 2 . . . A 64 LYS HD2 . 30023 1 760 . 1 1 64 64 LYS HD3 H 1 1.701 0.020 . 2 . . . A 64 LYS HD3 . 30023 1 761 . 1 1 64 64 LYS HE2 H 1 2.997 0.020 . 1 . . . A 64 LYS HE2 . 30023 1 762 . 1 1 64 64 LYS HE3 H 1 2.997 0.020 . 1 . . . A 64 LYS HE3 . 30023 1 763 . 1 1 64 64 LYS C C 13 178.321 0.3 . 1 . . . A 64 LYS C . 30023 1 764 . 1 1 64 64 LYS CA C 13 55.928 0.3 . 1 . . . A 64 LYS CA . 30023 1 765 . 1 1 64 64 LYS CB C 13 33.223 0.3 . 1 . . . A 64 LYS CB . 30023 1 766 . 1 1 64 64 LYS CG C 13 25.271 0.3 . 1 . . . A 64 LYS CG . 30023 1 767 . 1 1 64 64 LYS CD C 13 28.630 0.3 . 1 . . . A 64 LYS CD . 30023 1 768 . 1 1 64 64 LYS CE C 13 42.181 0.3 . 1 . . . A 64 LYS CE . 30023 1 769 . 1 1 64 64 LYS N N 15 124.608 0.3 . 1 . . . A 64 LYS N . 30023 1 770 . 1 1 65 65 SER H H 1 8.130 0.020 . 1 . . . A 65 SER H . 30023 1 771 . 1 1 65 65 SER HA H 1 4.157 0.020 . 1 . . . A 65 SER HA . 30023 1 772 . 1 1 65 65 SER HB2 H 1 4.080 0.020 . 2 . . . A 65 SER HB2 . 30023 1 773 . 1 1 65 65 SER HB3 H 1 3.588 0.020 . 2 . . . A 65 SER HB3 . 30023 1 774 . 1 1 65 65 SER HG H 1 5.878 0.020 . 1 . . . A 65 SER HG . 30023 1 775 . 1 1 65 65 SER C C 13 175.179 0.3 . 1 . . . A 65 SER C . 30023 1 776 . 1 1 65 65 SER CA C 13 58.054 0.3 . 1 . . . A 65 SER CA . 30023 1 777 . 1 1 65 65 SER CB C 13 63.635 0.3 . 1 . . . A 65 SER CB . 30023 1 778 . 1 1 65 65 SER N N 15 112.792 0.3 . 1 . . . A 65 SER N . 30023 1 779 . 1 1 66 66 THR H H 1 7.457 0.020 . 1 . . . A 66 THR H . 30023 1 780 . 1 1 66 66 THR HA H 1 4.274 0.020 . 1 . . . A 66 THR HA . 30023 1 781 . 1 1 66 66 THR HB H 1 3.848 0.020 . 1 . . . A 66 THR HB . 30023 1 782 . 1 1 66 66 THR HG21 H 1 1.373 0.020 . 1 . . . A 66 THR HG21 . 30023 1 783 . 1 1 66 66 THR HG22 H 1 1.373 0.020 . 1 . . . A 66 THR HG22 . 30023 1 784 . 1 1 66 66 THR HG23 H 1 1.373 0.020 . 1 . . . A 66 THR HG23 . 30023 1 785 . 1 1 66 66 THR CA C 13 66.352 0.3 . 1 . . . A 66 THR CA . 30023 1 786 . 1 1 66 66 THR CB C 13 67.242 0.3 . 1 . . . A 66 THR CB . 30023 1 787 . 1 1 66 66 THR CG2 C 13 23.775 0.3 . 1 . . . A 66 THR CG2 . 30023 1 788 . 1 1 66 66 THR N N 15 118.269 0.3 . 1 . . . A 66 THR N . 30023 1 789 . 1 1 67 67 PRO HA H 1 4.493 0.020 . 1 . . . A 67 PRO HA . 30023 1 790 . 1 1 67 67 PRO HB2 H 1 1.479 0.020 . 2 . . . A 67 PRO HB2 . 30023 1 791 . 1 1 67 67 PRO HB3 H 1 2.437 0.020 . 2 . . . A 67 PRO HB3 . 30023 1 792 . 1 1 67 67 PRO HG2 H 1 2.050 0.020 . 1 . . . A 67 PRO HG2 . 30023 1 793 . 1 1 67 67 PRO HG3 H 1 2.050 0.020 . 1 . . . A 67 PRO HG3 . 30023 1 794 . 1 1 67 67 PRO HD2 H 1 3.740 0.020 . 2 . . . A 67 PRO HD2 . 30023 1 795 . 1 1 67 67 PRO HD3 H 1 3.449 0.020 . 2 . . . A 67 PRO HD3 . 30023 1 796 . 1 1 67 67 PRO CA C 13 65.807 0.3 . 1 . . . A 67 PRO CA . 30023 1 797 . 1 1 67 67 PRO CB C 13 31.367 0.3 . 1 . . . A 67 PRO CB . 30023 1 798 . 1 1 67 67 PRO CG C 13 28.743 0.3 . 1 . . . A 67 PRO CG . 30023 1 799 . 1 1 67 67 PRO CD C 13 50.639 0.3 . 1 . . . A 67 PRO CD . 30023 1 800 . 1 1 68 68 VAL H H 1 7.770 0.020 . 1 . . . A 68 VAL H . 30023 1 801 . 1 1 68 68 VAL HA H 1 3.380 0.020 . 1 . . . A 68 VAL HA . 30023 1 802 . 1 1 68 68 VAL HB H 1 2.090 0.020 . 1 . . . A 68 VAL HB . 30023 1 803 . 1 1 68 68 VAL HG11 H 1 0.796 0.020 . 1 . . . A 68 VAL HG11 . 30023 1 804 . 1 1 68 68 VAL HG12 H 1 0.796 0.020 . 1 . . . A 68 VAL HG12 . 30023 1 805 . 1 1 68 68 VAL HG13 H 1 0.796 0.020 . 1 . . . A 68 VAL HG13 . 30023 1 806 . 1 1 68 68 VAL HG21 H 1 0.554 0.020 . 1 . . . A 68 VAL HG21 . 30023 1 807 . 1 1 68 68 VAL HG22 H 1 0.554 0.020 . 1 . . . A 68 VAL HG22 . 30023 1 808 . 1 1 68 68 VAL HG23 H 1 0.554 0.020 . 1 . . . A 68 VAL HG23 . 30023 1 809 . 1 1 68 68 VAL C C 13 176.369 0.3 . 1 . . . A 68 VAL C . 30023 1 810 . 1 1 68 68 VAL CA C 13 64.815 0.3 . 1 . . . A 68 VAL CA . 30023 1 811 . 1 1 68 68 VAL CB C 13 30.948 0.3 . 1 . . . A 68 VAL CB . 30023 1 812 . 1 1 68 68 VAL CG1 C 13 23.815 0.3 . 1 . . . A 68 VAL CG1 . 30023 1 813 . 1 1 68 68 VAL CG2 C 13 21.968 0.3 . 1 . . . A 68 VAL CG2 . 30023 1 814 . 1 1 68 68 VAL N N 15 115.241 0.3 . 1 . . . A 68 VAL N . 30023 1 815 . 1 1 69 69 ALA H H 1 6.821 0.020 . 1 . . . A 69 ALA H . 30023 1 816 . 1 1 69 69 ALA HA H 1 2.566 0.020 . 1 . . . A 69 ALA HA . 30023 1 817 . 1 1 69 69 ALA HB1 H 1 0.461 0.020 . 1 . . . A 69 ALA HB1 . 30023 1 818 . 1 1 69 69 ALA HB2 H 1 0.461 0.020 . 1 . . . A 69 ALA HB2 . 30023 1 819 . 1 1 69 69 ALA HB3 H 1 0.461 0.020 . 1 . . . A 69 ALA HB3 . 30023 1 820 . 1 1 69 69 ALA C C 13 178.059 0.3 . 1 . . . A 69 ALA C . 30023 1 821 . 1 1 69 69 ALA CA C 13 54.654 0.3 . 1 . . . A 69 ALA CA . 30023 1 822 . 1 1 69 69 ALA CB C 13 17.018 0.3 . 1 . . . A 69 ALA CB . 30023 1 823 . 1 1 69 69 ALA N N 15 122.671 0.3 . 1 . . . A 69 ALA N . 30023 1 824 . 1 1 70 70 GLU H H 1 8.023 0.020 . 1 . . . A 70 GLU H . 30023 1 825 . 1 1 70 70 GLU HA H 1 3.918 0.020 . 1 . . . A 70 GLU HA . 30023 1 826 . 1 1 70 70 GLU HB2 H 1 2.000 0.020 . 2 . . . A 70 GLU HB2 . 30023 1 827 . 1 1 70 70 GLU HB3 H 1 2.093 0.020 . 2 . . . A 70 GLU HB3 . 30023 1 828 . 1 1 70 70 GLU HG2 H 1 2.510 0.020 . 2 . . . A 70 GLU HG2 . 30023 1 829 . 1 1 70 70 GLU HG3 H 1 2.333 0.020 . 2 . . . A 70 GLU HG3 . 30023 1 830 . 1 1 70 70 GLU C C 13 179.059 0.3 . 1 . . . A 70 GLU C . 30023 1 831 . 1 1 70 70 GLU CA C 13 59.386 0.3 . 1 . . . A 70 GLU CA . 30023 1 832 . 1 1 70 70 GLU CB C 13 29.949 0.3 . 1 . . . A 70 GLU CB . 30023 1 833 . 1 1 70 70 GLU CG C 13 36.777 0.3 . 1 . . . A 70 GLU CG . 30023 1 834 . 1 1 70 70 GLU N N 15 113.945 0.3 . 1 . . . A 70 GLU N . 30023 1 835 . 1 1 71 71 ALA H H 1 7.286 0.020 . 1 . . . A 71 ALA H . 30023 1 836 . 1 1 71 71 ALA HA H 1 4.065 0.020 . 1 . . . A 71 ALA HA . 30023 1 837 . 1 1 71 71 ALA HB1 H 1 1.326 0.020 . 1 . . . A 71 ALA HB1 . 30023 1 838 . 1 1 71 71 ALA HB2 H 1 1.326 0.020 . 1 . . . A 71 ALA HB2 . 30023 1 839 . 1 1 71 71 ALA HB3 H 1 1.326 0.020 . 1 . . . A 71 ALA HB3 . 30023 1 840 . 1 1 71 71 ALA C C 13 180.368 0.3 . 1 . . . A 71 ALA C . 30023 1 841 . 1 1 71 71 ALA CA C 13 54.717 0.3 . 1 . . . A 71 ALA CA . 30023 1 842 . 1 1 71 71 ALA CB C 13 18.561 0.3 . 1 . . . A 71 ALA CB . 30023 1 843 . 1 1 71 71 ALA N N 15 122.445 0.3 . 1 . . . A 71 ALA N . 30023 1 844 . 1 1 72 72 LEU H H 1 8.136 0.020 . 1 . . . A 72 LEU H . 30023 1 845 . 1 1 72 72 LEU HA H 1 3.753 0.020 . 1 . . . A 72 LEU HA . 30023 1 846 . 1 1 72 72 LEU HB2 H 1 1.612 0.020 . 2 . . . A 72 LEU HB2 . 30023 1 847 . 1 1 72 72 LEU HB3 H 1 1.415 0.020 . 2 . . . A 72 LEU HB3 . 30023 1 848 . 1 1 72 72 LEU HG H 1 1.477 0.020 . 1 . . . A 72 LEU HG . 30023 1 849 . 1 1 72 72 LEU HD11 H 1 0.484 0.020 . 1 . . . A 72 LEU HD11 . 30023 1 850 . 1 1 72 72 LEU HD12 H 1 0.484 0.020 . 1 . . . A 72 LEU HD12 . 30023 1 851 . 1 1 72 72 LEU HD13 H 1 0.484 0.020 . 1 . . . A 72 LEU HD13 . 30023 1 852 . 1 1 72 72 LEU HD21 H 1 0.061 0.020 . 1 . . . A 72 LEU HD21 . 30023 1 853 . 1 1 72 72 LEU HD22 H 1 0.061 0.020 . 1 . . . A 72 LEU HD22 . 30023 1 854 . 1 1 72 72 LEU HD23 H 1 0.061 0.020 . 1 . . . A 72 LEU HD23 . 30023 1 855 . 1 1 72 72 LEU C C 13 179.368 0.3 . 1 . . . A 72 LEU C . 30023 1 856 . 1 1 72 72 LEU CA C 13 57.945 0.3 . 1 . . . A 72 LEU CA . 30023 1 857 . 1 1 72 72 LEU CB C 13 40.589 0.3 . 1 . . . A 72 LEU CB . 30023 1 858 . 1 1 72 72 LEU CG C 13 26.214 0.3 . 1 . . . A 72 LEU CG . 30023 1 859 . 1 1 72 72 LEU CD1 C 13 23.905 0.3 . 1 . . . A 72 LEU CD1 . 30023 1 860 . 1 1 72 72 LEU CD2 C 13 27.588 0.3 . 1 . . . A 72 LEU CD2 . 30023 1 861 . 1 1 72 72 LEU N N 15 118.600 0.3 . 1 . . . A 72 LEU N . 30023 1 862 . 1 1 73 73 ALA H H 1 8.666 0.020 . 1 . . . A 73 ALA H . 30023 1 863 . 1 1 73 73 ALA HA H 1 4.487 0.020 . 1 . . . A 73 ALA HA . 30023 1 864 . 1 1 73 73 ALA HB1 H 1 1.666 0.020 . 1 . . . A 73 ALA HB1 . 30023 1 865 . 1 1 73 73 ALA HB2 H 1 1.666 0.020 . 1 . . . A 73 ALA HB2 . 30023 1 866 . 1 1 73 73 ALA HB3 H 1 1.666 0.020 . 1 . . . A 73 ALA HB3 . 30023 1 867 . 1 1 73 73 ALA C C 13 181.927 0.3 . 1 . . . A 73 ALA C . 30023 1 868 . 1 1 73 73 ALA CA C 13 54.829 0.3 . 1 . . . A 73 ALA CA . 30023 1 869 . 1 1 73 73 ALA CB C 13 18.172 0.3 . 1 . . . A 73 ALA CB . 30023 1 870 . 1 1 73 73 ALA N N 15 121.831 0.3 . 1 . . . A 73 ALA N . 30023 1 871 . 1 1 74 74 ALA H H 1 7.966 0.020 . 1 . . . A 74 ALA H . 30023 1 872 . 1 1 74 74 ALA HA H 1 4.132 0.020 . 1 . . . A 74 ALA HA . 30023 1 873 . 1 1 74 74 ALA HB1 H 1 1.479 0.020 . 1 . . . A 74 ALA HB1 . 30023 1 874 . 1 1 74 74 ALA HB2 H 1 1.479 0.020 . 1 . . . A 74 ALA HB2 . 30023 1 875 . 1 1 74 74 ALA HB3 H 1 1.479 0.020 . 1 . . . A 74 ALA HB3 . 30023 1 876 . 1 1 74 74 ALA C C 13 178.626 0.3 . 1 . . . A 74 ALA C . 30023 1 877 . 1 1 74 74 ALA CA C 13 54.375 0.3 . 1 . . . A 74 ALA CA . 30023 1 878 . 1 1 74 74 ALA CB C 13 18.114 0.3 . 1 . . . A 74 ALA CB . 30023 1 879 . 1 1 74 74 ALA N N 15 120.023 0.3 . 1 . . . A 74 ALA N . 30023 1 880 . 1 1 75 75 ARG H H 1 7.098 0.020 . 1 . . . A 75 ARG H . 30023 1 881 . 1 1 75 75 ARG HA H 1 4.302 0.020 . 1 . . . A 75 ARG HA . 30023 1 882 . 1 1 75 75 ARG HB2 H 1 2.142 0.020 . 2 . . . A 75 ARG HB2 . 30023 1 883 . 1 1 75 75 ARG HB3 H 1 1.396 0.020 . 2 . . . A 75 ARG HB3 . 30023 1 884 . 1 1 75 75 ARG HG2 H 1 1.652 0.020 . 2 . . . A 75 ARG HG2 . 30023 1 885 . 1 1 75 75 ARG HG3 H 1 1.586 0.020 . 2 . . . A 75 ARG HG3 . 30023 1 886 . 1 1 75 75 ARG HD2 H 1 3.066 0.020 . 2 . . . A 75 ARG HD2 . 30023 1 887 . 1 1 75 75 ARG HD3 H 1 2.805 0.020 . 2 . . . A 75 ARG HD3 . 30023 1 888 . 1 1 75 75 ARG HE H 1 7.447 0.020 . 1 . . . A 75 ARG HE . 30023 1 889 . 1 1 75 75 ARG C C 13 174.525 0.3 . 1 . . . A 75 ARG C . 30023 1 890 . 1 1 75 75 ARG CA C 13 55.165 0.3 . 1 . . . A 75 ARG CA . 30023 1 891 . 1 1 75 75 ARG CB C 13 31.233 0.3 . 1 . . . A 75 ARG CB . 30023 1 892 . 1 1 75 75 ARG CG C 13 27.496 0.3 . 1 . . . A 75 ARG CG . 30023 1 893 . 1 1 75 75 ARG CD C 13 43.225 0.3 . 1 . . . A 75 ARG CD . 30023 1 894 . 1 1 75 75 ARG N N 15 115.945 0.3 . 1 . . . A 75 ARG N . 30023 1 895 . 1 1 75 75 ARG NE N 15 85.235 0.3 . 1 . . . A 75 ARG NE . 30023 1 896 . 1 1 76 76 ASP H H 1 7.977 0.020 . 1 . . . A 76 ASP H . 30023 1 897 . 1 1 76 76 ASP HA H 1 4.243 0.020 . 1 . . . A 76 ASP HA . 30023 1 898 . 1 1 76 76 ASP HB2 H 1 3.088 0.020 . 2 . . . A 76 ASP HB2 . 30023 1 899 . 1 1 76 76 ASP HB3 H 1 2.532 0.020 . 2 . . . A 76 ASP HB3 . 30023 1 900 . 1 1 76 76 ASP C C 13 174.525 0.3 . 1 . . . A 76 ASP C . 30023 1 901 . 1 1 76 76 ASP CA C 13 55.357 0.3 . 1 . . . A 76 ASP CA . 30023 1 902 . 1 1 76 76 ASP CB C 13 39.718 0.3 . 1 . . . A 76 ASP CB . 30023 1 903 . 1 1 76 76 ASP N N 15 118.108 0.3 . 1 . . . A 76 ASP N . 30023 1 904 . 1 1 77 77 ILE H H 1 8.027 0.020 . 1 . . . A 77 ILE H . 30023 1 905 . 1 1 77 77 ILE HA H 1 4.420 0.020 . 1 . . . A 77 ILE HA . 30023 1 906 . 1 1 77 77 ILE HB H 1 1.582 0.020 . 1 . . . A 77 ILE HB . 30023 1 907 . 1 1 77 77 ILE HG12 H 1 1.552 0.020 . 2 . . . A 77 ILE HG12 . 30023 1 908 . 1 1 77 77 ILE HG13 H 1 0.948 0.020 . 2 . . . A 77 ILE HG13 . 30023 1 909 . 1 1 77 77 ILE HG21 H 1 0.686 0.020 . 1 . . . A 77 ILE HG21 . 30023 1 910 . 1 1 77 77 ILE HG22 H 1 0.686 0.020 . 1 . . . A 77 ILE HG22 . 30023 1 911 . 1 1 77 77 ILE HG23 H 1 0.686 0.020 . 1 . . . A 77 ILE HG23 . 30023 1 912 . 1 1 77 77 ILE HD11 H 1 0.764 0.020 . 1 . . . A 77 ILE HD11 . 30023 1 913 . 1 1 77 77 ILE HD12 H 1 0.764 0.020 . 1 . . . A 77 ILE HD12 . 30023 1 914 . 1 1 77 77 ILE HD13 H 1 0.764 0.020 . 1 . . . A 77 ILE HD13 . 30023 1 915 . 1 1 77 77 ILE CA C 13 58.192 0.3 . 1 . . . A 77 ILE CA . 30023 1 916 . 1 1 77 77 ILE CB C 13 39.066 0.3 . 1 . . . A 77 ILE CB . 30023 1 917 . 1 1 77 77 ILE CG1 C 13 27.289 0.3 . 1 . . . A 77 ILE CG1 . 30023 1 918 . 1 1 77 77 ILE CG2 C 13 16.667 0.3 . 1 . . . A 77 ILE CG2 . 30023 1 919 . 1 1 77 77 ILE CD1 C 13 13.941 0.3 . 1 . . . A 77 ILE CD1 . 30023 1 920 . 1 1 77 77 ILE N N 15 120.291 0.3 . 1 . . . A 77 ILE N . 30023 1 921 . 1 1 78 78 PRO HA H 1 4.271 0.020 . 1 . . . A 78 PRO HA . 30023 1 922 . 1 1 78 78 PRO HB2 H 1 2.254 0.020 . 2 . . . A 78 PRO HB2 . 30023 1 923 . 1 1 78 78 PRO HB3 H 1 1.911 0.020 . 2 . . . A 78 PRO HB3 . 30023 1 924 . 1 1 78 78 PRO HG2 H 1 2.139 0.020 . 2 . . . A 78 PRO HG2 . 30023 1 925 . 1 1 78 78 PRO HG3 H 1 2.263 0.020 . 2 . . . A 78 PRO HG3 . 30023 1 926 . 1 1 78 78 PRO HD2 H 1 3.909 0.020 . 2 . . . A 78 PRO HD2 . 30023 1 927 . 1 1 78 78 PRO HD3 H 1 4.269 0.020 . 2 . . . A 78 PRO HD3 . 30023 1 928 . 1 1 78 78 PRO CA C 13 62.662 0.3 . 1 . . . A 78 PRO CA . 30023 1 929 . 1 1 78 78 PRO CB C 13 33.324 0.3 . 1 . . . A 78 PRO CB . 30023 1 930 . 1 1 78 78 PRO CG C 13 28.915 0.3 . 1 . . . A 78 PRO CG . 30023 1 931 . 1 1 78 78 PRO CD C 13 50.822 0.3 . 1 . . . A 78 PRO CD . 30023 1 932 . 1 1 79 79 PHE H H 1 7.364 0.020 . 1 . . . A 79 PHE H . 30023 1 933 . 1 1 79 79 PHE HA H 1 5.510 0.020 . 1 . . . A 79 PHE HA . 30023 1 934 . 1 1 79 79 PHE HB2 H 1 2.751 0.020 . 2 . . . A 79 PHE HB2 . 30023 1 935 . 1 1 79 79 PHE HB3 H 1 2.419 0.020 . 2 . . . A 79 PHE HB3 . 30023 1 936 . 1 1 79 79 PHE HD1 H 1 6.558 0.020 . 1 . . . A 79 PHE HD1 . 30023 1 937 . 1 1 79 79 PHE HD2 H 1 6.558 0.020 . 1 . . . A 79 PHE HD2 . 30023 1 938 . 1 1 79 79 PHE HE1 H 1 7.203 0.020 . 1 . . . A 79 PHE HE1 . 30023 1 939 . 1 1 79 79 PHE HE2 H 1 7.203 0.020 . 1 . . . A 79 PHE HE2 . 30023 1 940 . 1 1 79 79 PHE C C 13 172.280 0.3 . 1 . . . A 79 PHE C . 30023 1 941 . 1 1 79 79 PHE CA C 13 55.095 0.3 . 1 . . . A 79 PHE CA . 30023 1 942 . 1 1 79 79 PHE CB C 13 42.289 0.3 . 1 . . . A 79 PHE CB . 30023 1 943 . 1 1 79 79 PHE CD1 C 13 125.560 0.3 . 1 . . . A 79 PHE CD1 . 30023 1 944 . 1 1 79 79 PHE CE1 C 13 128.855 0.3 . 1 . . . A 79 PHE CE1 . 30023 1 945 . 1 1 79 79 PHE N N 15 111.390 0.3 . 1 . . . A 79 PHE N . 30023 1 946 . 1 1 80 80 VAL H H 1 7.862 0.020 . 1 . . . A 80 VAL H . 30023 1 947 . 1 1 80 80 VAL HA H 1 4.423 0.020 . 1 . . . A 80 VAL HA . 30023 1 948 . 1 1 80 80 VAL HB H 1 1.732 0.020 . 1 . . . A 80 VAL HB . 30023 1 949 . 1 1 80 80 VAL HG11 H 1 0.680 0.020 . 1 . . . A 80 VAL HG11 . 30023 1 950 . 1 1 80 80 VAL HG12 H 1 0.680 0.020 . 1 . . . A 80 VAL HG12 . 30023 1 951 . 1 1 80 80 VAL HG13 H 1 0.680 0.020 . 1 . . . A 80 VAL HG13 . 30023 1 952 . 1 1 80 80 VAL HG21 H 1 0.711 0.020 . 1 . . . A 80 VAL HG21 . 30023 1 953 . 1 1 80 80 VAL HG22 H 1 0.711 0.020 . 1 . . . A 80 VAL HG22 . 30023 1 954 . 1 1 80 80 VAL HG23 H 1 0.711 0.020 . 1 . . . A 80 VAL HG23 . 30023 1 955 . 1 1 80 80 VAL C C 13 175.111 0.3 . 1 . . . A 80 VAL C . 30023 1 956 . 1 1 80 80 VAL CA C 13 57.904 0.3 . 1 . . . A 80 VAL CA . 30023 1 957 . 1 1 80 80 VAL CB C 13 35.371 0.3 . 1 . . . A 80 VAL CB . 30023 1 958 . 1 1 80 80 VAL CG1 C 13 21.578 0.3 . 1 . . . A 80 VAL CG1 . 30023 1 959 . 1 1 80 80 VAL CG2 C 13 21.920 0.3 . 1 . . . A 80 VAL CG2 . 30023 1 960 . 1 1 80 80 VAL N N 15 115.248 0.3 . 1 . . . A 80 VAL N . 30023 1 961 . 1 1 81 81 PHE H H 1 8.563 0.020 . 1 . . . A 81 PHE H . 30023 1 962 . 1 1 81 81 PHE HA H 1 5.812 0.020 . 1 . . . A 81 PHE HA . 30023 1 963 . 1 1 81 81 PHE HB2 H 1 2.814 0.020 . 1 . . . A 81 PHE HB2 . 30023 1 964 . 1 1 81 81 PHE HB3 H 1 2.814 0.020 . 1 . . . A 81 PHE HB3 . 30023 1 965 . 1 1 81 81 PHE HD1 H 1 7.294 0.020 . 1 . . . A 81 PHE HD1 . 30023 1 966 . 1 1 81 81 PHE HD2 H 1 7.294 0.020 . 1 . . . A 81 PHE HD2 . 30023 1 967 . 1 1 81 81 PHE HE1 H 1 6.818 0.020 . 1 . . . A 81 PHE HE1 . 30023 1 968 . 1 1 81 81 PHE HE2 H 1 6.818 0.020 . 1 . . . A 81 PHE HE2 . 30023 1 969 . 1 1 81 81 PHE HZ H 1 6.513 0.020 . 1 . . . A 81 PHE HZ . 30023 1 970 . 1 1 81 81 PHE C C 13 175.111 0.3 . 1 . . . A 81 PHE C . 30023 1 971 . 1 1 81 81 PHE CA C 13 57.049 0.3 . 1 . . . A 81 PHE CA . 30023 1 972 . 1 1 81 81 PHE CB C 13 42.226 0.3 . 1 . . . A 81 PHE CB . 30023 1 973 . 1 1 81 81 PHE CD1 C 13 129.524 0.3 . 1 . . . A 81 PHE CD1 . 30023 1 974 . 1 1 81 81 PHE CE1 C 13 125.569 0.3 . 1 . . . A 81 PHE CE1 . 30023 1 975 . 1 1 81 81 PHE CZ C 13 127.626 0.3 . 1 . . . A 81 PHE CZ . 30023 1 976 . 1 1 81 81 PHE N N 15 122.940 0.3 . 1 . . . A 81 PHE N . 30023 1 977 . 1 1 82 82 ALA H H 1 8.791 0.020 . 1 . . . A 82 ALA H . 30023 1 978 . 1 1 82 82 ALA HA H 1 5.703 0.020 . 1 . . . A 82 ALA HA . 30023 1 979 . 1 1 82 82 ALA HB1 H 1 1.163 0.020 . 1 . . . A 82 ALA HB1 . 30023 1 980 . 1 1 82 82 ALA HB2 H 1 1.163 0.020 . 1 . . . A 82 ALA HB2 . 30023 1 981 . 1 1 82 82 ALA HB3 H 1 1.163 0.020 . 1 . . . A 82 ALA HB3 . 30023 1 982 . 1 1 82 82 ALA C C 13 175.966 0.3 . 1 . . . A 82 ALA C . 30023 1 983 . 1 1 82 82 ALA CA C 13 49.798 0.3 . 1 . . . A 82 ALA CA . 30023 1 984 . 1 1 82 82 ALA CB C 13 19.805 0.3 . 1 . . . A 82 ALA CB . 30023 1 985 . 1 1 82 82 ALA N N 15 125.275 0.3 . 1 . . . A 82 ALA N . 30023 1 986 . 1 1 83 83 THR H H 1 8.307 0.020 . 1 . . . A 83 THR H . 30023 1 987 . 1 1 83 83 THR HA H 1 4.883 0.020 . 1 . . . A 83 THR HA . 30023 1 988 . 1 1 83 83 THR HB H 1 4.177 0.020 . 1 . . . A 83 THR HB . 30023 1 989 . 1 1 83 83 THR HG21 H 1 0.984 0.020 . 1 . . . A 83 THR HG21 . 30023 1 990 . 1 1 83 83 THR HG22 H 1 0.984 0.020 . 1 . . . A 83 THR HG22 . 30023 1 991 . 1 1 83 83 THR HG23 H 1 0.984 0.020 . 1 . . . A 83 THR HG23 . 30023 1 992 . 1 1 83 83 THR C C 13 173.183 0.3 . 1 . . . A 83 THR C . 30023 1 993 . 1 1 83 83 THR CA C 13 59.108 0.3 . 1 . . . A 83 THR CA . 30023 1 994 . 1 1 83 83 THR CB C 13 70.460 0.3 . 1 . . . A 83 THR CB . 30023 1 995 . 1 1 83 83 THR CG2 C 13 20.400 0.3 . 1 . . . A 83 THR CG2 . 30023 1 996 . 1 1 83 83 THR N N 15 112.721 0.3 . 1 . . . A 83 THR N . 30023 1 997 . 1 1 84 84 GLY H H 1 8.887 0.020 . 1 . . . A 84 GLY H . 30023 1 998 . 1 1 84 84 GLY HA2 H 1 4.428 0.020 . 2 . . . A 84 GLY HA2 . 30023 1 999 . 1 1 84 84 GLY HA3 H 1 3.891 0.020 . 2 . . . A 84 GLY HA3 . 30023 1 1000 . 1 1 84 84 GLY C C 13 174.794 0.3 . 1 . . . A 84 GLY C . 30023 1 1001 . 1 1 84 84 GLY CA C 13 45.136 0.3 . 1 . . . A 84 GLY CA . 30023 1 1002 . 1 1 84 84 GLY N N 15 111.403 0.3 . 1 . . . A 84 GLY N . 30023 1 1003 . 1 1 85 85 GLY H H 1 8.460 0.020 . 1 . . . A 85 GLY H . 30023 1 1004 . 1 1 85 85 GLY HA2 H 1 3.986 0.020 . 1 . . . A 85 GLY HA2 . 30023 1 1005 . 1 1 85 85 GLY HA3 H 1 3.986 0.020 . 1 . . . A 85 GLY HA3 . 30023 1 1006 . 1 1 85 85 GLY C C 13 174.037 0.3 . 1 . . . A 85 GLY C . 30023 1 1007 . 1 1 85 85 GLY CA C 13 45.116 0.3 . 1 . . . A 85 GLY CA . 30023 1 1008 . 1 1 85 85 GLY N N 15 109.390 0.3 . 1 . . . A 85 GLY N . 30023 1 1009 . 1 1 86 86 SER H H 1 8.358 0.020 . 1 . . . A 86 SER H . 30023 1 1010 . 1 1 86 86 SER HA H 1 4.416 0.020 . 1 . . . A 86 SER HA . 30023 1 1011 . 1 1 86 86 SER HB2 H 1 3.893 0.020 . 2 . . . A 86 SER HB2 . 30023 1 1012 . 1 1 86 86 SER HB3 H 1 3.823 0.020 . 2 . . . A 86 SER HB3 . 30023 1 1013 . 1 1 86 86 SER C C 13 174.818 0.3 . 1 . . . A 86 SER C . 30023 1 1014 . 1 1 86 86 SER CA C 13 58.230 0.3 . 1 . . . A 86 SER CA . 30023 1 1015 . 1 1 86 86 SER CB C 13 63.629 0.3 . 1 . . . A 86 SER CB . 30023 1 1016 . 1 1 86 86 SER N N 15 115.299 0.3 . 1 . . . A 86 SER N . 30023 1 1017 . 1 1 87 87 ASP H H 1 8.359 0.020 . 1 . . . A 87 ASP H . 30023 1 1018 . 1 1 87 87 ASP HA H 1 4.493 0.020 . 1 . . . A 87 ASP HA . 30023 1 1019 . 1 1 87 87 ASP HB2 H 1 2.654 0.020 . 2 . . . A 87 ASP HB2 . 30023 1 1020 . 1 1 87 87 ASP HB3 H 1 2.595 0.020 . 2 . . . A 87 ASP HB3 . 30023 1 1021 . 1 1 87 87 ASP C C 13 176.039 0.3 . 1 . . . A 87 ASP C . 30023 1 1022 . 1 1 87 87 ASP CA C 13 54.677 0.3 . 1 . . . A 87 ASP CA . 30023 1 1023 . 1 1 87 87 ASP CB C 13 40.590 0.3 . 1 . . . A 87 ASP CB . 30023 1 1024 . 1 1 87 87 ASP N N 15 121.858 0.3 . 1 . . . A 87 ASP N . 30023 1 1025 . 1 1 88 88 ASP H H 1 8.051 0.020 . 1 . . . A 88 ASP H . 30023 1 1026 . 1 1 88 88 ASP HA H 1 4.500 0.020 . 1 . . . A 88 ASP HA . 30023 1 1027 . 1 1 88 88 ASP HB2 H 1 2.651 0.020 . 2 . . . A 88 ASP HB2 . 30023 1 1028 . 1 1 88 88 ASP HB3 H 1 2.602 0.020 . 2 . . . A 88 ASP HB3 . 30023 1 1029 . 1 1 88 88 ASP C C 13 176.039 0.3 . 1 . . . A 88 ASP C . 30023 1 1030 . 1 1 88 88 ASP CA C 13 54.224 0.3 . 1 . . . A 88 ASP CA . 30023 1 1031 . 1 1 88 88 ASP CB C 13 40.737 0.3 . 1 . . . A 88 ASP CB . 30023 1 1032 . 1 1 88 88 ASP N N 15 119.963 0.3 . 1 . . . A 88 ASP N . 30023 1 1033 . 1 1 89 89 SER H H 1 8.008 0.020 . 1 . . . A 89 SER H . 30023 1 1034 . 1 1 89 89 SER HA H 1 4.281 0.020 . 1 . . . A 89 SER HA . 30023 1 1035 . 1 1 89 89 SER HB2 H 1 3.772 0.020 . 1 . . . A 89 SER HB2 . 30023 1 1036 . 1 1 89 89 SER HB3 H 1 3.772 0.020 . 1 . . . A 89 SER HB3 . 30023 1 1037 . 1 1 89 89 SER C C 13 174.013 0.3 . 1 . . . A 89 SER C . 30023 1 1038 . 1 1 89 89 SER CA C 13 58.637 0.3 . 1 . . . A 89 SER CA . 30023 1 1039 . 1 1 89 89 SER CB C 13 63.950 0.3 . 1 . . . A 89 SER CB . 30023 1 1040 . 1 1 89 89 SER N N 15 114.850 0.3 . 1 . . . A 89 SER N . 30023 1 1041 . 1 1 90 90 VAL H H 1 7.741 0.020 . 1 . . . A 90 VAL H . 30023 1 1042 . 1 1 90 90 VAL HA H 1 3.721 0.020 . 1 . . . A 90 VAL HA . 30023 1 1043 . 1 1 90 90 VAL HB H 1 1.637 0.020 . 1 . . . A 90 VAL HB . 30023 1 1044 . 1 1 90 90 VAL HG11 H 1 0.449 0.020 . 1 . . . A 90 VAL HG11 . 30023 1 1045 . 1 1 90 90 VAL HG12 H 1 0.449 0.020 . 1 . . . A 90 VAL HG12 . 30023 1 1046 . 1 1 90 90 VAL HG13 H 1 0.449 0.020 . 1 . . . A 90 VAL HG13 . 30023 1 1047 . 1 1 90 90 VAL HG21 H 1 0.332 0.020 . 1 . . . A 90 VAL HG21 . 30023 1 1048 . 1 1 90 90 VAL HG22 H 1 0.332 0.020 . 1 . . . A 90 VAL HG22 . 30023 1 1049 . 1 1 90 90 VAL HG23 H 1 0.332 0.020 . 1 . . . A 90 VAL HG23 . 30023 1 1050 . 1 1 90 90 VAL C C 13 175.526 0.3 . 1 . . . A 90 VAL C . 30023 1 1051 . 1 1 90 90 VAL CA C 13 61.111 0.3 . 1 . . . A 90 VAL CA . 30023 1 1052 . 1 1 90 90 VAL CB C 13 33.261 0.3 . 1 . . . A 90 VAL CB . 30023 1 1053 . 1 1 90 90 VAL CG1 C 13 19.967 0.3 . 1 . . . A 90 VAL CG1 . 30023 1 1054 . 1 1 90 90 VAL CG2 C 13 20.847 0.3 . 1 . . . A 90 VAL CG2 . 30023 1 1055 . 1 1 90 90 VAL N N 15 120.923 0.3 . 1 . . . A 90 VAL N . 30023 1 1056 . 1 1 91 91 ASP H H 1 8.533 0.020 . 1 . . . A 91 ASP H . 30023 1 1057 . 1 1 91 91 ASP HA H 1 4.320 0.020 . 1 . . . A 91 ASP HA . 30023 1 1058 . 1 1 91 91 ASP HB2 H 1 2.752 0.020 . 2 . . . A 91 ASP HB2 . 30023 1 1059 . 1 1 91 91 ASP HB3 H 1 2.702 0.020 . 2 . . . A 91 ASP HB3 . 30023 1 1060 . 1 1 91 91 ASP C C 13 177.381 0.3 . 1 . . . A 91 ASP C . 30023 1 1061 . 1 1 91 91 ASP CA C 13 55.158 0.3 . 1 . . . A 91 ASP CA . 30023 1 1062 . 1 1 91 91 ASP CB C 13 43.570 0.3 . 1 . . . A 91 ASP CB . 30023 1 1063 . 1 1 91 91 ASP N N 15 126.667 0.3 . 1 . . . A 91 ASP N . 30023 1 1064 . 1 1 92 92 SER H H 1 8.695 0.020 . 1 . . . A 92 SER H . 30023 1 1065 . 1 1 92 92 SER HA H 1 3.861 0.020 . 1 . . . A 92 SER HA . 30023 1 1066 . 1 1 92 92 SER HB2 H 1 3.872 0.020 . 1 . . . A 92 SER HB2 . 30023 1 1067 . 1 1 92 92 SER HB3 H 1 3.872 0.020 . 1 . . . A 92 SER HB3 . 30023 1 1068 . 1 1 92 92 SER C C 13 175.941 0.3 . 1 . . . A 92 SER C . 30023 1 1069 . 1 1 92 92 SER CA C 13 61.872 0.3 . 1 . . . A 92 SER CA . 30023 1 1070 . 1 1 92 92 SER CB C 13 62.955 0.3 . 1 . . . A 92 SER CB . 30023 1 1071 . 1 1 92 92 SER N N 15 121.233 0.3 . 1 . . . A 92 SER N . 30023 1 1072 . 1 1 93 93 ARG H H 1 8.832 0.020 . 1 . . . A 93 ARG H . 30023 1 1073 . 1 1 93 93 ARG HA H 1 3.885 0.020 . 1 . . . A 93 ARG HA . 30023 1 1074 . 1 1 93 93 ARG HB2 H 1 1.032 0.020 . 1 . . . A 93 ARG HB2 . 30023 1 1075 . 1 1 93 93 ARG HB3 H 1 1.032 0.020 . 1 . . . A 93 ARG HB3 . 30023 1 1076 . 1 1 93 93 ARG HG2 H 1 1.368 0.020 . 1 . . . A 93 ARG HG2 . 30023 1 1077 . 1 1 93 93 ARG HG3 H 1 1.368 0.020 . 1 . . . A 93 ARG HG3 . 30023 1 1078 . 1 1 93 93 ARG HD2 H 1 3.066 0.020 . 2 . . . A 93 ARG HD2 . 30023 1 1079 . 1 1 93 93 ARG HD3 H 1 2.826 0.020 . 2 . . . A 93 ARG HD3 . 30023 1 1080 . 1 1 93 93 ARG HE H 1 7.316 0.020 . 1 . . . A 93 ARG HE . 30023 1 1081 . 1 1 93 93 ARG C C 13 177.211 0.3 . 1 . . . A 93 ARG C . 30023 1 1082 . 1 1 93 93 ARG CA C 13 58.040 0.3 . 1 . . . A 93 ARG CA . 30023 1 1083 . 1 1 93 93 ARG CB C 13 29.931 0.3 . 1 . . . A 93 ARG CB . 30023 1 1084 . 1 1 93 93 ARG CG C 13 26.476 0.3 . 1 . . . A 93 ARG CG . 30023 1 1085 . 1 1 93 93 ARG CD C 13 43.393 0.3 . 1 . . . A 93 ARG CD . 30023 1 1086 . 1 1 93 93 ARG N N 15 121.220 0.3 . 1 . . . A 93 ARG N . 30023 1 1087 . 1 1 93 93 ARG NE N 15 85.043 0.3 . 1 . . . A 93 ARG NE . 30023 1 1088 . 1 1 94 94 PHE H H 1 8.254 0.020 . 1 . . . A 94 PHE H . 30023 1 1089 . 1 1 94 94 PHE HA H 1 5.282 0.020 . 1 . . . A 94 PHE HA . 30023 1 1090 . 1 1 94 94 PHE HB2 H 1 2.790 0.020 . 2 . . . A 94 PHE HB2 . 30023 1 1091 . 1 1 94 94 PHE HB3 H 1 4.036 0.020 . 2 . . . A 94 PHE HB3 . 30023 1 1092 . 1 1 94 94 PHE HD1 H 1 7.340 0.020 . 1 . . . A 94 PHE HD1 . 30023 1 1093 . 1 1 94 94 PHE HD2 H 1 7.340 0.020 . 1 . . . A 94 PHE HD2 . 30023 1 1094 . 1 1 94 94 PHE HE1 H 1 7.207 0.020 . 1 . . . A 94 PHE HE1 . 30023 1 1095 . 1 1 94 94 PHE HE2 H 1 7.207 0.020 . 1 . . . A 94 PHE HE2 . 30023 1 1096 . 1 1 94 94 PHE HZ H 1 7.081 0.020 . 1 . . . A 94 PHE HZ . 30023 1 1097 . 1 1 94 94 PHE C C 13 176.429 0.3 . 1 . . . A 94 PHE C . 30023 1 1098 . 1 1 94 94 PHE CA C 13 55.928 0.3 . 1 . . . A 94 PHE CA . 30023 1 1099 . 1 1 94 94 PHE CB C 13 40.696 0.3 . 1 . . . A 94 PHE CB . 30023 1 1100 . 1 1 94 94 PHE CD1 C 13 129.031 0.3 . 1 . . . A 94 PHE CD1 . 30023 1 1101 . 1 1 94 94 PHE CE1 C 13 128.704 0.3 . 1 . . . A 94 PHE CE1 . 30023 1 1102 . 1 1 94 94 PHE CZ C 13 126.473 0.3 . 1 . . . A 94 PHE CZ . 30023 1 1103 . 1 1 94 94 PHE N N 15 115.035 0.3 . 1 . . . A 94 PHE N . 30023 1 1104 . 1 1 95 95 ARG H H 1 7.280 0.020 . 1 . . . A 95 ARG H . 30023 1 1105 . 1 1 95 95 ARG HA H 1 4.068 0.020 . 1 . . . A 95 ARG HA . 30023 1 1106 . 1 1 95 95 ARG HB2 H 1 1.920 0.020 . 2 . . . A 95 ARG HB2 . 30023 1 1107 . 1 1 95 95 ARG HB3 H 1 1.812 0.020 . 2 . . . A 95 ARG HB3 . 30023 1 1108 . 1 1 95 95 ARG HG2 H 1 1.664 0.020 . 1 . . . A 95 ARG HG2 . 30023 1 1109 . 1 1 95 95 ARG HG3 H 1 1.664 0.020 . 1 . . . A 95 ARG HG3 . 30023 1 1110 . 1 1 95 95 ARG HD2 H 1 3.093 0.020 . 1 . . . A 95 ARG HD2 . 30023 1 1111 . 1 1 95 95 ARG HD3 H 1 3.093 0.020 . 1 . . . A 95 ARG HD3 . 30023 1 1112 . 1 1 95 95 ARG C C 13 174.672 0.3 . 1 . . . A 95 ARG C . 30023 1 1113 . 1 1 95 95 ARG CA C 13 58.192 0.3 . 1 . . . A 95 ARG CA . 30023 1 1114 . 1 1 95 95 ARG CB C 13 29.830 0.3 . 1 . . . A 95 ARG CB . 30023 1 1115 . 1 1 95 95 ARG CG C 13 27.139 0.3 . 1 . . . A 95 ARG CG . 30023 1 1116 . 1 1 95 95 ARG CD C 13 43.197 0.3 . 1 . . . A 95 ARG CD . 30023 1 1117 . 1 1 95 95 ARG N N 15 120.026 0.3 . 1 . . . A 95 ARG N . 30023 1 1118 . 1 1 96 96 ASP H H 1 8.745 0.020 . 1 . . . A 96 ASP H . 30023 1 1119 . 1 1 96 96 ASP HA H 1 4.516 0.020 . 1 . . . A 96 ASP HA . 30023 1 1120 . 1 1 96 96 ASP HB2 H 1 2.760 0.020 . 2 . . . A 96 ASP HB2 . 30023 1 1121 . 1 1 96 96 ASP HB3 H 1 2.543 0.020 . 2 . . . A 96 ASP HB3 . 30023 1 1122 . 1 1 96 96 ASP C C 13 176.210 0.3 . 1 . . . A 96 ASP C . 30023 1 1123 . 1 1 96 96 ASP CA C 13 53.233 0.3 . 1 . . . A 96 ASP CA . 30023 1 1124 . 1 1 96 96 ASP CB C 13 39.742 0.3 . 1 . . . A 96 ASP CB . 30023 1 1125 . 1 1 96 96 ASP N N 15 116.147 0.3 . 1 . . . A 96 ASP N . 30023 1 1126 . 1 1 97 97 ARG H H 1 7.362 0.020 . 1 . . . A 97 ARG H . 30023 1 1127 . 1 1 97 97 ARG HA H 1 4.431 0.020 . 1 . . . A 97 ARG HA . 30023 1 1128 . 1 1 97 97 ARG HB2 H 1 2.044 0.020 . 2 . . . A 97 ARG HB2 . 30023 1 1129 . 1 1 97 97 ARG HB3 H 1 1.589 0.020 . 2 . . . A 97 ARG HB3 . 30023 1 1130 . 1 1 97 97 ARG HG2 H 1 1.864 0.020 . 1 . . . A 97 ARG HG2 . 30023 1 1131 . 1 1 97 97 ARG HG3 H 1 1.864 0.020 . 1 . . . A 97 ARG HG3 . 30023 1 1132 . 1 1 97 97 ARG CA C 13 53.130 0.3 . 1 . . . A 97 ARG CA . 30023 1 1133 . 1 1 97 97 ARG CB C 13 28.172 0.3 . 1 . . . A 97 ARG CB . 30023 1 1134 . 1 1 97 97 ARG N N 15 120.493 0.3 . 1 . . . A 97 ARG N . 30023 1 1135 . 1 1 98 98 PRO HA H 1 4.421 0.020 . 1 . . . A 98 PRO HA . 30023 1 1136 . 1 1 98 98 PRO HB2 H 1 2.311 0.020 . 2 . . . A 98 PRO HB2 . 30023 1 1137 . 1 1 98 98 PRO HB3 H 1 1.703 0.020 . 2 . . . A 98 PRO HB3 . 30023 1 1138 . 1 1 98 98 PRO HG2 H 1 1.871 0.020 . 2 . . . A 98 PRO HG2 . 30023 1 1139 . 1 1 98 98 PRO HG3 H 1 1.583 0.020 . 2 . . . A 98 PRO HG3 . 30023 1 1140 . 1 1 98 98 PRO HD2 H 1 3.775 0.020 . 2 . . . A 98 PRO HD2 . 30023 1 1141 . 1 1 98 98 PRO HD3 H 1 3.568 0.020 . 2 . . . A 98 PRO HD3 . 30023 1 1142 . 1 1 98 98 PRO CA C 13 62.989 0.3 . 1 . . . A 98 PRO CA . 30023 1 1143 . 1 1 98 98 PRO CB C 13 31.810 0.3 . 1 . . . A 98 PRO CB . 30023 1 1144 . 1 1 98 98 PRO CG C 13 27.801 0.3 . 1 . . . A 98 PRO CG . 30023 1 1145 . 1 1 98 98 PRO CD C 13 49.815 0.3 . 1 . . . A 98 PRO CD . 30023 1 1146 . 1 1 99 99 VAL H H 1 8.030 0.020 . 1 . . . A 99 VAL H . 30023 1 1147 . 1 1 99 99 VAL HA H 1 4.947 0.020 . 1 . . . A 99 VAL HA . 30023 1 1148 . 1 1 99 99 VAL HB H 1 1.888 0.020 . 1 . . . A 99 VAL HB . 30023 1 1149 . 1 1 99 99 VAL HG11 H 1 0.935 0.020 . 1 . . . A 99 VAL HG11 . 30023 1 1150 . 1 1 99 99 VAL HG12 H 1 0.935 0.020 . 1 . . . A 99 VAL HG12 . 30023 1 1151 . 1 1 99 99 VAL HG13 H 1 0.935 0.020 . 1 . . . A 99 VAL HG13 . 30023 1 1152 . 1 1 99 99 VAL HG21 H 1 0.818 0.020 . 1 . . . A 99 VAL HG21 . 30023 1 1153 . 1 1 99 99 VAL HG22 H 1 0.818 0.020 . 1 . . . A 99 VAL HG22 . 30023 1 1154 . 1 1 99 99 VAL HG23 H 1 0.818 0.020 . 1 . . . A 99 VAL HG23 . 30023 1 1155 . 1 1 99 99 VAL C C 13 175.111 0.3 . 1 . . . A 99 VAL C . 30023 1 1156 . 1 1 99 99 VAL CA C 13 60.160 0.3 . 1 . . . A 99 VAL CA . 30023 1 1157 . 1 1 99 99 VAL CB C 13 35.266 0.3 . 1 . . . A 99 VAL CB . 30023 1 1158 . 1 1 99 99 VAL CG1 C 13 20.865 0.3 . 1 . . . A 99 VAL CG1 . 30023 1 1159 . 1 1 99 99 VAL CG2 C 13 22.018 0.3 . 1 . . . A 99 VAL CG2 . 30023 1 1160 . 1 1 99 99 VAL N N 15 116.857 0.3 . 1 . . . A 99 VAL N . 30023 1 1161 . 1 1 100 100 LEU H H 1 9.422 0.020 . 1 . . . A 100 LEU H . 30023 1 1162 . 1 1 100 100 LEU HA H 1 4.508 0.020 . 1 . . . A 100 LEU HA . 30023 1 1163 . 1 1 100 100 LEU HB2 H 1 1.559 0.020 . 2 . . . A 100 LEU HB2 . 30023 1 1164 . 1 1 100 100 LEU HB3 H 1 1.007 0.020 . 2 . . . A 100 LEU HB3 . 30023 1 1165 . 1 1 100 100 LEU HG H 1 1.364 0.020 . 1 . . . A 100 LEU HG . 30023 1 1166 . 1 1 100 100 LEU HD11 H 1 0.259 0.020 . 1 . . . A 100 LEU HD11 . 30023 1 1167 . 1 1 100 100 LEU HD12 H 1 0.259 0.020 . 1 . . . A 100 LEU HD12 . 30023 1 1168 . 1 1 100 100 LEU HD13 H 1 0.259 0.020 . 1 . . . A 100 LEU HD13 . 30023 1 1169 . 1 1 100 100 LEU HD21 H 1 0.615 0.020 . 1 . . . A 100 LEU HD21 . 30023 1 1170 . 1 1 100 100 LEU HD22 H 1 0.615 0.020 . 1 . . . A 100 LEU HD22 . 30023 1 1171 . 1 1 100 100 LEU HD23 H 1 0.615 0.020 . 1 . . . A 100 LEU HD23 . 30023 1 1172 . 1 1 100 100 LEU C C 13 174.257 0.3 . 1 . . . A 100 LEU C . 30023 1 1173 . 1 1 100 100 LEU CA C 13 52.999 0.3 . 1 . . . A 100 LEU CA . 30023 1 1174 . 1 1 100 100 LEU CB C 13 44.685 0.3 . 1 . . . A 100 LEU CB . 30023 1 1175 . 1 1 100 100 LEU CG C 13 26.632 0.3 . 1 . . . A 100 LEU CG . 30023 1 1176 . 1 1 100 100 LEU CD1 C 13 26.039 0.3 . 1 . . . A 100 LEU CD1 . 30023 1 1177 . 1 1 100 100 LEU CD2 C 13 23.729 0.3 . 1 . . . A 100 LEU CD2 . 30023 1 1178 . 1 1 100 100 LEU N N 15 129.675 0.3 . 1 . . . A 100 LEU N . 30023 1 1179 . 1 1 101 101 GLN H H 1 8.526 0.020 . 1 . . . A 101 GLN H . 30023 1 1180 . 1 1 101 101 GLN HA H 1 4.644 0.020 . 1 . . . A 101 GLN HA . 30023 1 1181 . 1 1 101 101 GLN HB2 H 1 1.838 0.020 . 2 . . . A 101 GLN HB2 . 30023 1 1182 . 1 1 101 101 GLN HB3 H 1 1.939 0.020 . 2 . . . A 101 GLN HB3 . 30023 1 1183 . 1 1 101 101 GLN HG2 H 1 2.282 0.020 . 2 . . . A 101 GLN HG2 . 30023 1 1184 . 1 1 101 101 GLN HG3 H 1 2.247 0.020 . 2 . . . A 101 GLN HG3 . 30023 1 1185 . 1 1 101 101 GLN HE21 H 1 6.772 0.020 . 1 . . . A 101 GLN HE21 . 30023 1 1186 . 1 1 101 101 GLN HE22 H 1 7.452 0.020 . 1 . . . A 101 GLN HE22 . 30023 1 1187 . 1 1 101 101 GLN C C 13 175.453 0.3 . 1 . . . A 101 GLN C . 30023 1 1188 . 1 1 101 101 GLN CA C 13 55.391 0.3 . 1 . . . A 101 GLN CA . 30023 1 1189 . 1 1 101 101 GLN CB C 13 29.994 0.3 . 1 . . . A 101 GLN CB . 30023 1 1190 . 1 1 101 101 GLN CG C 13 33.954 0.3 . 1 . . . A 101 GLN CG . 30023 1 1191 . 1 1 101 101 GLN N N 15 125.410 0.3 . 1 . . . A 101 GLN N . 30023 1 1192 . 1 1 101 101 GLN NE2 N 15 111.920 0.3 . 1 . . . A 101 GLN NE2 . 30023 1 1193 . 1 1 102 102 LYS H H 1 8.246 0.020 . 1 . . . A 102 LYS H . 30023 1 1194 . 1 1 102 102 LYS HA H 1 4.032 0.020 . 1 . . . A 102 LYS HA . 30023 1 1195 . 1 1 102 102 LYS HB2 H 1 1.582 0.020 . 2 . . . A 102 LYS HB2 . 30023 1 1196 . 1 1 102 102 LYS HB3 H 1 1.438 0.020 . 2 . . . A 102 LYS HB3 . 30023 1 1197 . 1 1 102 102 LYS HG2 H 1 1.541 0.020 . 2 . . . A 102 LYS HG2 . 30023 1 1198 . 1 1 102 102 LYS HG3 H 1 1.439 0.020 . 2 . . . A 102 LYS HG3 . 30023 1 1199 . 1 1 102 102 LYS HD2 H 1 1.275 0.020 . 2 . . . A 102 LYS HD2 . 30023 1 1200 . 1 1 102 102 LYS HD3 H 1 0.885 0.020 . 2 . . . A 102 LYS HD3 . 30023 1 1201 . 1 1 102 102 LYS HE2 H 1 2.683 0.020 . 2 . . . A 102 LYS HE2 . 30023 1 1202 . 1 1 102 102 LYS HE3 H 1 2.606 0.020 . 2 . . . A 102 LYS HE3 . 30023 1 1203 . 1 1 102 102 LYS CA C 13 54.340 0.3 . 1 . . . A 102 LYS CA . 30023 1 1204 . 1 1 102 102 LYS CB C 13 32.763 0.3 . 1 . . . A 102 LYS CB . 30023 1 1205 . 1 1 102 102 LYS CG C 13 29.883 0.3 . 1 . . . A 102 LYS CG . 30023 1 1206 . 1 1 102 102 LYS CD C 13 25.491 0.3 . 1 . . . A 102 LYS CD . 30023 1 1207 . 1 1 102 102 LYS CE C 13 41.536 0.3 . 1 . . . A 102 LYS CE . 30023 1 1208 . 1 1 102 102 LYS N N 15 122.181 0.3 . 1 . . . A 102 LYS N . 30023 1 1209 . 1 1 103 103 PRO HA H 1 4.225 0.020 . 1 . . . A 103 PRO HA . 30023 1 1210 . 1 1 103 103 PRO HB2 H 1 2.211 0.020 . 2 . . . A 103 PRO HB2 . 30023 1 1211 . 1 1 103 103 PRO HB3 H 1 1.951 0.020 . 2 . . . A 103 PRO HB3 . 30023 1 1212 . 1 1 103 103 PRO HG2 H 1 1.873 0.020 . 2 . . . A 103 PRO HG2 . 30023 1 1213 . 1 1 103 103 PRO HG3 H 1 1.835 0.020 . 2 . . . A 103 PRO HG3 . 30023 1 1214 . 1 1 103 103 PRO HD2 H 1 3.583 0.020 . 2 . . . A 103 PRO HD2 . 30023 1 1215 . 1 1 103 103 PRO HD3 H 1 3.387 0.020 . 2 . . . A 103 PRO HD3 . 30023 1 1216 . 1 1 103 103 PRO CA C 13 61.781 0.3 . 1 . . . A 103 PRO CA . 30023 1 1217 . 1 1 103 103 PRO CB C 13 34.105 0.3 . 1 . . . A 103 PRO CB . 30023 1 1218 . 1 1 103 103 PRO CG C 13 24.661 0.3 . 1 . . . A 103 PRO CG . 30023 1 1219 . 1 1 103 103 PRO CD C 13 50.405 0.3 . 1 . . . A 103 PRO CD . 30023 1 1220 . 1 1 104 104 PHE H H 1 7.957 0.020 . 1 . . . A 104 PHE H . 30023 1 1221 . 1 1 104 104 PHE HA H 1 5.135 0.020 . 1 . . . A 104 PHE HA . 30023 1 1222 . 1 1 104 104 PHE HB2 H 1 3.166 0.020 . 1 . . . A 104 PHE HB2 . 30023 1 1223 . 1 1 104 104 PHE HB3 H 1 3.166 0.020 . 1 . . . A 104 PHE HB3 . 30023 1 1224 . 1 1 104 104 PHE HD1 H 1 7.098 0.020 . 1 . . . A 104 PHE HD1 . 30023 1 1225 . 1 1 104 104 PHE HD2 H 1 7.098 0.020 . 1 . . . A 104 PHE HD2 . 30023 1 1226 . 1 1 104 104 PHE HE1 H 1 7.052 0.020 . 1 . . . A 104 PHE HE1 . 30023 1 1227 . 1 1 104 104 PHE HE2 H 1 7.052 0.020 . 1 . . . A 104 PHE HE2 . 30023 1 1228 . 1 1 104 104 PHE C C 13 175.258 0.3 . 1 . . . A 104 PHE C . 30023 1 1229 . 1 1 104 104 PHE CA C 13 55.192 0.3 . 1 . . . A 104 PHE CA . 30023 1 1230 . 1 1 104 104 PHE CB C 13 40.171 0.3 . 1 . . . A 104 PHE CB . 30023 1 1231 . 1 1 104 104 PHE CD1 C 13 129.108 0.3 . 1 . . . A 104 PHE CD1 . 30023 1 1232 . 1 1 104 104 PHE CE1 C 13 128.171 0.3 . 1 . . . A 104 PHE CE1 . 30023 1 1233 . 1 1 104 104 PHE N N 15 119.716 0.3 . 1 . . . A 104 PHE N . 30023 1 1234 . 1 1 105 105 THR H H 1 8.125 0.020 . 1 . . . A 105 THR H . 30023 1 1235 . 1 1 105 105 THR HA H 1 4.619 0.020 . 1 . . . A 105 THR HA . 30023 1 1236 . 1 1 105 105 THR HB H 1 4.470 0.020 . 1 . . . A 105 THR HB . 30023 1 1237 . 1 1 105 105 THR HG21 H 1 1.206 0.020 . 1 . . . A 105 THR HG21 . 30023 1 1238 . 1 1 105 105 THR HG22 H 1 1.206 0.020 . 1 . . . A 105 THR HG22 . 30023 1 1239 . 1 1 105 105 THR HG23 H 1 1.206 0.020 . 1 . . . A 105 THR HG23 . 30023 1 1240 . 1 1 105 105 THR C C 13 174.452 0.3 . 1 . . . A 105 THR C . 30023 1 1241 . 1 1 105 105 THR CA C 13 58.826 0.3 . 1 . . . A 105 THR CA . 30023 1 1242 . 1 1 105 105 THR CB C 13 72.489 0.3 . 1 . . . A 105 THR CB . 30023 1 1243 . 1 1 105 105 THR CG2 C 13 21.452 0.3 . 1 . . . A 105 THR CG2 . 30023 1 1244 . 1 1 105 105 THR N N 15 109.773 0.3 . 1 . . . A 105 THR N . 30023 1 1245 . 1 1 106 106 MET H H 1 8.497 0.020 . 1 . . . A 106 MET H . 30023 1 1246 . 1 1 106 106 MET HA H 1 3.066 0.020 . 1 . . . A 106 MET HA . 30023 1 1247 . 1 1 106 106 MET HB2 H 1 1.757 0.020 . 2 . . . A 106 MET HB2 . 30023 1 1248 . 1 1 106 106 MET HB3 H 1 1.405 0.020 . 2 . . . A 106 MET HB3 . 30023 1 1249 . 1 1 106 106 MET HG2 H 1 2.216 0.020 . 2 . . . A 106 MET HG2 . 30023 1 1250 . 1 1 106 106 MET HG3 H 1 2.162 0.020 . 2 . . . A 106 MET HG3 . 30023 1 1251 . 1 1 106 106 MET HE1 H 1 2.020 0.020 . 1 . . . A 106 MET HE1 . 30023 1 1252 . 1 1 106 106 MET HE2 H 1 2.020 0.020 . 1 . . . A 106 MET HE2 . 30023 1 1253 . 1 1 106 106 MET HE3 H 1 2.020 0.020 . 1 . . . A 106 MET HE3 . 30023 1 1254 . 1 1 106 106 MET C C 13 177.381 0.3 . 1 . . . A 106 MET C . 30023 1 1255 . 1 1 106 106 MET CA C 13 59.541 0.3 . 1 . . . A 106 MET CA . 30023 1 1256 . 1 1 106 106 MET CB C 13 31.850 0.3 . 1 . . . A 106 MET CB . 30023 1 1257 . 1 1 106 106 MET CG C 13 31.036 0.3 . 1 . . . A 106 MET CG . 30023 1 1258 . 1 1 106 106 MET CE C 13 16.728 0.3 . 1 . . . A 106 MET CE . 30023 1 1259 . 1 1 106 106 MET N N 15 122.522 0.3 . 1 . . . A 106 MET N . 30023 1 1260 . 1 1 107 107 ASP H H 1 8.200 0.020 . 1 . . . A 107 ASP H . 30023 1 1261 . 1 1 107 107 ASP HA H 1 4.252 0.020 . 1 . . . A 107 ASP HA . 30023 1 1262 . 1 1 107 107 ASP HB2 H 1 2.415 0.020 . 2 . . . A 107 ASP HB2 . 30023 1 1263 . 1 1 107 107 ASP HB3 H 1 2.493 0.020 . 2 . . . A 107 ASP HB3 . 30023 1 1264 . 1 1 107 107 ASP CA C 13 56.784 0.3 . 1 . . . A 107 ASP CA . 30023 1 1265 . 1 1 107 107 ASP CB C 13 41.026 0.3 . 1 . . . A 107 ASP CB . 30023 1 1266 . 1 1 107 107 ASP N N 15 116.432 0.3 . 1 . . . A 107 ASP N . 30023 1 1267 . 1 1 108 108 GLY H H 1 7.894 0.020 . 1 . . . A 108 GLY H . 30023 1 1268 . 1 1 108 108 GLY HA2 H 1 4.049 0.020 . 2 . . . A 108 GLY HA2 . 30023 1 1269 . 1 1 108 108 GLY HA3 H 1 3.687 0.020 . 2 . . . A 108 GLY HA3 . 30023 1 1270 . 1 1 108 108 GLY C C 13 177.259 0.3 . 1 . . . A 108 GLY C . 30023 1 1271 . 1 1 108 108 GLY CA C 13 46.637 0.3 . 1 . . . A 108 GLY CA . 30023 1 1272 . 1 1 108 108 GLY N N 15 107.798 0.3 . 1 . . . A 108 GLY N . 30023 1 1273 . 1 1 109 109 VAL H H 1 8.044 0.020 . 1 . . . A 109 VAL H . 30023 1 1274 . 1 1 109 109 VAL HA H 1 3.339 0.020 . 1 . . . A 109 VAL HA . 30023 1 1275 . 1 1 109 109 VAL HB H 1 2.019 0.020 . 1 . . . A 109 VAL HB . 30023 1 1276 . 1 1 109 109 VAL HG11 H 1 0.846 0.020 . 1 . . . A 109 VAL HG11 . 30023 1 1277 . 1 1 109 109 VAL HG12 H 1 0.846 0.020 . 1 . . . A 109 VAL HG12 . 30023 1 1278 . 1 1 109 109 VAL HG13 H 1 0.846 0.020 . 1 . . . A 109 VAL HG13 . 30023 1 1279 . 1 1 109 109 VAL HG21 H 1 0.611 0.020 . 1 . . . A 109 VAL HG21 . 30023 1 1280 . 1 1 109 109 VAL HG22 H 1 0.611 0.020 . 1 . . . A 109 VAL HG22 . 30023 1 1281 . 1 1 109 109 VAL HG23 H 1 0.611 0.020 . 1 . . . A 109 VAL HG23 . 30023 1 1282 . 1 1 109 109 VAL C C 13 177.577 0.3 . 1 . . . A 109 VAL C . 30023 1 1283 . 1 1 109 109 VAL CA C 13 66.862 0.3 . 1 . . . A 109 VAL CA . 30023 1 1284 . 1 1 109 109 VAL CB C 13 31.066 0.3 . 1 . . . A 109 VAL CB . 30023 1 1285 . 1 1 109 109 VAL CG1 C 13 24.268 0.3 . 1 . . . A 109 VAL CG1 . 30023 1 1286 . 1 1 109 109 VAL CG2 C 13 21.432 0.3 . 1 . . . A 109 VAL CG2 . 30023 1 1287 . 1 1 109 109 VAL N N 15 123.433 0.3 . 1 . . . A 109 VAL N . 30023 1 1288 . 1 1 110 110 ALA H H 1 8.410 0.020 . 1 . . . A 110 ALA H . 30023 1 1289 . 1 1 110 110 ALA HA H 1 3.825 0.020 . 1 . . . A 110 ALA HA . 30023 1 1290 . 1 1 110 110 ALA HB1 H 1 1.303 0.020 . 1 . . . A 110 ALA HB1 . 30023 1 1291 . 1 1 110 110 ALA HB2 H 1 1.303 0.020 . 1 . . . A 110 ALA HB2 . 30023 1 1292 . 1 1 110 110 ALA HB3 H 1 1.303 0.020 . 1 . . . A 110 ALA HB3 . 30023 1 1293 . 1 1 110 110 ALA C C 13 181.141 0.3 . 1 . . . A 110 ALA C . 30023 1 1294 . 1 1 110 110 ALA CA C 13 55.576 0.3 . 1 . . . A 110 ALA CA . 30023 1 1295 . 1 1 110 110 ALA CB C 13 17.887 0.3 . 1 . . . A 110 ALA CB . 30023 1 1296 . 1 1 110 110 ALA N N 15 121.812 0.3 . 1 . . . A 110 ALA N . 30023 1 1297 . 1 1 111 111 LYS H H 1 8.176 0.020 . 1 . . . A 111 LYS H . 30023 1 1298 . 1 1 111 111 LYS HA H 1 3.928 0.020 . 1 . . . A 111 LYS HA . 30023 1 1299 . 1 1 111 111 LYS HB2 H 1 1.799 0.020 . 2 . . . A 111 LYS HB2 . 30023 1 1300 . 1 1 111 111 LYS HB3 H 1 1.850 0.020 . 2 . . . A 111 LYS HB3 . 30023 1 1301 . 1 1 111 111 LYS HG2 H 1 1.554 0.020 . 2 . . . A 111 LYS HG2 . 30023 1 1302 . 1 1 111 111 LYS HG3 H 1 1.362 0.020 . 2 . . . A 111 LYS HG3 . 30023 1 1303 . 1 1 111 111 LYS HD2 H 1 1.559 0.020 . 2 . . . A 111 LYS HD2 . 30023 1 1304 . 1 1 111 111 LYS HD3 H 1 1.612 0.020 . 2 . . . A 111 LYS HD3 . 30023 1 1305 . 1 1 111 111 LYS HE2 H 1 2.909 0.020 . 1 . . . A 111 LYS HE2 . 30023 1 1306 . 1 1 111 111 LYS HE3 H 1 2.909 0.020 . 1 . . . A 111 LYS HE3 . 30023 1 1307 . 1 1 111 111 LYS C C 13 179.139 0.3 . 1 . . . A 111 LYS C . 30023 1 1308 . 1 1 111 111 LYS CA C 13 59.347 0.3 . 1 . . . A 111 LYS CA . 30023 1 1309 . 1 1 111 111 LYS CB C 13 32.534 0.3 . 1 . . . A 111 LYS CB . 30023 1 1310 . 1 1 111 111 LYS CG C 13 25.861 0.3 . 1 . . . A 111 LYS CG . 30023 1 1311 . 1 1 111 111 LYS CD C 13 29.028 0.3 . 1 . . . A 111 LYS CD . 30023 1 1312 . 1 1 111 111 LYS CE C 13 42.023 0.3 . 1 . . . A 111 LYS CE . 30023 1 1313 . 1 1 111 111 LYS N N 15 118.335 0.3 . 1 . . . A 111 LYS N . 30023 1 1314 . 1 1 112 112 ALA H H 1 7.793 0.020 . 1 . . . A 112 ALA H . 30023 1 1315 . 1 1 112 112 ALA HA H 1 4.107 0.020 . 1 . . . A 112 ALA HA . 30023 1 1316 . 1 1 112 112 ALA HB1 H 1 1.342 0.020 . 1 . . . A 112 ALA HB1 . 30023 1 1317 . 1 1 112 112 ALA HB2 H 1 1.342 0.020 . 1 . . . A 112 ALA HB2 . 30023 1 1318 . 1 1 112 112 ALA HB3 H 1 1.342 0.020 . 1 . . . A 112 ALA HB3 . 30023 1 1319 . 1 1 112 112 ALA C C 13 178.630 0.3 . 1 . . . A 112 ALA C . 30023 1 1320 . 1 1 112 112 ALA CA C 13 54.880 0.3 . 1 . . . A 112 ALA CA . 30023 1 1321 . 1 1 112 112 ALA CB C 13 18.329 0.3 . 1 . . . A 112 ALA CB . 30023 1 1322 . 1 1 112 112 ALA N N 15 123.437 0.3 . 1 . . . A 112 ALA N . 30023 1 1323 . 1 1 113 113 LEU H H 1 8.029 0.020 . 1 . . . A 113 LEU H . 30023 1 1324 . 1 1 113 113 LEU HA H 1 3.810 0.020 . 1 . . . A 113 LEU HA . 30023 1 1325 . 1 1 113 113 LEU HB2 H 1 1.772 0.020 . 2 . . . A 113 LEU HB2 . 30023 1 1326 . 1 1 113 113 LEU HB3 H 1 1.272 0.020 . 2 . . . A 113 LEU HB3 . 30023 1 1327 . 1 1 113 113 LEU HG H 1 1.300 0.020 . 1 . . . A 113 LEU HG . 30023 1 1328 . 1 1 113 113 LEU HD11 H 1 0.610 0.020 . 1 . . . A 113 LEU HD11 . 30023 1 1329 . 1 1 113 113 LEU HD12 H 1 0.610 0.020 . 1 . . . A 113 LEU HD12 . 30023 1 1330 . 1 1 113 113 LEU HD13 H 1 0.610 0.020 . 1 . . . A 113 LEU HD13 . 30023 1 1331 . 1 1 113 113 LEU HD21 H 1 0.508 0.020 . 1 . . . A 113 LEU HD21 . 30023 1 1332 . 1 1 113 113 LEU HD22 H 1 0.508 0.020 . 1 . . . A 113 LEU HD22 . 30023 1 1333 . 1 1 113 113 LEU HD23 H 1 0.508 0.020 . 1 . . . A 113 LEU HD23 . 30023 1 1334 . 1 1 113 113 LEU C C 13 180.018 0.3 . 1 . . . A 113 LEU C . 30023 1 1335 . 1 1 113 113 LEU CA C 13 57.134 0.3 . 1 . . . A 113 LEU CA . 30023 1 1336 . 1 1 113 113 LEU CB C 13 40.787 0.3 . 1 . . . A 113 LEU CB . 30023 1 1337 . 1 1 113 113 LEU CG C 13 27.035 0.3 . 1 . . . A 113 LEU CG . 30023 1 1338 . 1 1 113 113 LEU CD1 C 13 26.389 0.3 . 1 . . . A 113 LEU CD1 . 30023 1 1339 . 1 1 113 113 LEU CD2 C 13 21.643 0.3 . 1 . . . A 113 LEU CD2 . 30023 1 1340 . 1 1 113 113 LEU N N 15 114.033 0.3 . 1 . . . A 113 LEU N . 30023 1 1341 . 1 1 114 114 ALA H H 1 7.830 0.020 . 1 . . . A 114 ALA H . 30023 1 1342 . 1 1 114 114 ALA HA H 1 4.009 0.020 . 1 . . . A 114 ALA HA . 30023 1 1343 . 1 1 114 114 ALA HB1 H 1 1.405 0.020 . 1 . . . A 114 ALA HB1 . 30023 1 1344 . 1 1 114 114 ALA HB2 H 1 1.405 0.020 . 1 . . . A 114 ALA HB2 . 30023 1 1345 . 1 1 114 114 ALA HB3 H 1 1.405 0.020 . 1 . . . A 114 ALA HB3 . 30023 1 1346 . 1 1 114 114 ALA C C 13 180.311 0.3 . 1 . . . A 114 ALA C . 30023 1 1347 . 1 1 114 114 ALA CA C 13 54.593 0.3 . 1 . . . A 114 ALA CA . 30023 1 1348 . 1 1 114 114 ALA CB C 13 17.659 0.3 . 1 . . . A 114 ALA CB . 30023 1 1349 . 1 1 114 114 ALA N N 15 120.869 0.3 . 1 . . . A 114 ALA N . 30023 1 1350 . 1 1 115 115 ALA H H 1 7.513 0.020 . 1 . . . A 115 ALA H . 30023 1 1351 . 1 1 115 115 ALA HA H 1 4.130 0.020 . 1 . . . A 115 ALA HA . 30023 1 1352 . 1 1 115 115 ALA HB1 H 1 1.468 0.020 . 1 . . . A 115 ALA HB1 . 30023 1 1353 . 1 1 115 115 ALA HB2 H 1 1.468 0.020 . 1 . . . A 115 ALA HB2 . 30023 1 1354 . 1 1 115 115 ALA HB3 H 1 1.468 0.020 . 1 . . . A 115 ALA HB3 . 30023 1 1355 . 1 1 115 115 ALA C C 13 179.261 0.3 . 1 . . . A 115 ALA C . 30023 1 1356 . 1 1 115 115 ALA CA C 13 53.672 0.3 . 1 . . . A 115 ALA CA . 30023 1 1357 . 1 1 115 115 ALA CB C 13 17.905 0.3 . 1 . . . A 115 ALA CB . 30023 1 1358 . 1 1 115 115 ALA N N 15 120.147 0.3 . 1 . . . A 115 ALA N . 30023 1 1359 . 1 1 116 116 LEU H H 1 7.325 0.020 . 1 . . . A 116 LEU H . 30023 1 1360 . 1 1 116 116 LEU HA H 1 4.025 0.020 . 1 . . . A 116 LEU HA . 30023 1 1361 . 1 1 116 116 LEU HB2 H 1 1.918 0.020 . 2 . . . A 116 LEU HB2 . 30023 1 1362 . 1 1 116 116 LEU HB3 H 1 1.267 0.020 . 2 . . . A 116 LEU HB3 . 30023 1 1363 . 1 1 116 116 LEU HG H 1 1.592 0.020 . 1 . . . A 116 LEU HG . 30023 1 1364 . 1 1 116 116 LEU HD11 H 1 0.629 0.020 . 1 . . . A 116 LEU HD11 . 30023 1 1365 . 1 1 116 116 LEU HD12 H 1 0.629 0.020 . 1 . . . A 116 LEU HD12 . 30023 1 1366 . 1 1 116 116 LEU HD13 H 1 0.629 0.020 . 1 . . . A 116 LEU HD13 . 30023 1 1367 . 1 1 116 116 LEU HD21 H 1 0.602 0.020 . 1 . . . A 116 LEU HD21 . 30023 1 1368 . 1 1 116 116 LEU HD22 H 1 0.602 0.020 . 1 . . . A 116 LEU HD22 . 30023 1 1369 . 1 1 116 116 LEU HD23 H 1 0.602 0.020 . 1 . . . A 116 LEU HD23 . 30023 1 1370 . 1 1 116 116 LEU C C 13 177.406 0.3 . 1 . . . A 116 LEU C . 30023 1 1371 . 1 1 116 116 LEU CA C 13 55.617 0.3 . 1 . . . A 116 LEU CA . 30023 1 1372 . 1 1 116 116 LEU CB C 13 41.833 0.3 . 1 . . . A 116 LEU CB . 30023 1 1373 . 1 1 116 116 LEU CG C 13 26.905 0.3 . 1 . . . A 116 LEU CG . 30023 1 1374 . 1 1 116 116 LEU CD1 C 13 25.446 0.3 . 1 . . . A 116 LEU CD1 . 30023 1 1375 . 1 1 116 116 LEU CD2 C 13 22.670 0.3 . 1 . . . A 116 LEU CD2 . 30023 1 1376 . 1 1 116 116 LEU N N 15 115.801 0.3 . 1 . . . A 116 LEU N . 30023 1 1377 . 1 1 117 117 LEU H H 1 7.357 0.020 . 1 . . . A 117 LEU H . 30023 1 1378 . 1 1 117 117 LEU HA H 1 4.208 0.020 . 1 . . . A 117 LEU HA . 30023 1 1379 . 1 1 117 117 LEU HB2 H 1 1.699 0.020 . 2 . . . A 117 LEU HB2 . 30023 1 1380 . 1 1 117 117 LEU HB3 H 1 1.581 0.020 . 2 . . . A 117 LEU HB3 . 30023 1 1381 . 1 1 117 117 LEU HG H 1 1.599 0.020 . 1 . . . A 117 LEU HG . 30023 1 1382 . 1 1 117 117 LEU HD11 H 1 0.767 0.020 . 1 . . . A 117 LEU HD11 . 30023 1 1383 . 1 1 117 117 LEU HD12 H 1 0.767 0.020 . 1 . . . A 117 LEU HD12 . 30023 1 1384 . 1 1 117 117 LEU HD13 H 1 0.767 0.020 . 1 . . . A 117 LEU HD13 . 30023 1 1385 . 1 1 117 117 LEU HD21 H 1 0.860 0.020 . 1 . . . A 117 LEU HD21 . 30023 1 1386 . 1 1 117 117 LEU HD22 H 1 0.860 0.020 . 1 . . . A 117 LEU HD22 . 30023 1 1387 . 1 1 117 117 LEU HD23 H 1 0.860 0.020 . 1 . . . A 117 LEU HD23 . 30023 1 1388 . 1 1 117 117 LEU C C 13 176.844 0.3 . 1 . . . A 117 LEU C . 30023 1 1389 . 1 1 117 117 LEU CA C 13 54.747 0.3 . 1 . . . A 117 LEU CA . 30023 1 1390 . 1 1 117 117 LEU CB C 13 41.999 0.3 . 1 . . . A 117 LEU CB . 30023 1 1391 . 1 1 117 117 LEU CG C 13 26.583 0.3 . 1 . . . A 117 LEU CG . 30023 1 1392 . 1 1 117 117 LEU CD1 C 13 22.965 0.3 . 1 . . . A 117 LEU CD1 . 30023 1 1393 . 1 1 117 117 LEU CD2 C 13 25.203 0.3 . 1 . . . A 117 LEU CD2 . 30023 1 1394 . 1 1 117 117 LEU N N 15 117.531 0.3 . 1 . . . A 117 LEU N . 30023 1 1395 . 1 1 118 118 VAL H H 1 7.285 0.020 . 1 . . . A 118 VAL H . 30023 1 1396 . 1 1 118 118 VAL HA H 1 4.234 0.020 . 1 . . . A 118 VAL HA . 30023 1 1397 . 1 1 118 118 VAL HB H 1 2.048 0.020 . 1 . . . A 118 VAL HB . 30023 1 1398 . 1 1 118 118 VAL HG11 H 1 0.903 0.020 . 1 . . . A 118 VAL HG11 . 30023 1 1399 . 1 1 118 118 VAL HG12 H 1 0.903 0.020 . 1 . . . A 118 VAL HG12 . 30023 1 1400 . 1 1 118 118 VAL HG13 H 1 0.903 0.020 . 1 . . . A 118 VAL HG13 . 30023 1 1401 . 1 1 118 118 VAL HG21 H 1 0.870 0.020 . 1 . . . A 118 VAL HG21 . 30023 1 1402 . 1 1 118 118 VAL HG22 H 1 0.870 0.020 . 1 . . . A 118 VAL HG22 . 30023 1 1403 . 1 1 118 118 VAL HG23 H 1 0.870 0.020 . 1 . . . A 118 VAL HG23 . 30023 1 1404 . 1 1 118 118 VAL CA C 13 60.345 0.3 . 1 . . . A 118 VAL CA . 30023 1 1405 . 1 1 118 118 VAL CB C 13 32.210 0.3 . 1 . . . A 118 VAL CB . 30023 1 1406 . 1 1 118 118 VAL CG1 C 13 20.708 0.3 . 1 . . . A 118 VAL CG1 . 30023 1 1407 . 1 1 118 118 VAL N N 15 121.103 0.3 . 1 . . . A 118 VAL N . 30023 1 1408 . 1 1 119 119 PRO HA H 1 4.335 0.020 . 1 . . . . 119 PRO HA . 30023 1 1409 . 1 1 119 119 PRO HB2 H 1 2.238 0.020 . 2 . . . . 119 PRO HB2 . 30023 1 1410 . 1 1 119 119 PRO HB3 H 1 1.809 0.020 . 2 . . . . 119 PRO HB3 . 30023 1 1411 . 1 1 119 119 PRO HG2 H 1 1.915 0.020 . 1 . . . . 119 PRO HG2 . 30023 1 1412 . 1 1 119 119 PRO HG3 H 1 1.915 0.020 . 1 . . . . 119 PRO HG3 . 30023 1 1413 . 1 1 119 119 PRO HD2 H 1 3.872 0.020 . 2 . . . . 119 PRO HD2 . 30023 1 1414 . 1 1 119 119 PRO HD3 H 1 3.584 0.020 . 2 . . . . 119 PRO HD3 . 30023 1 1415 . 1 1 119 119 PRO CA C 13 63.179 0.3 . 1 . . . . 119 PRO CA . 30023 1 1416 . 1 1 119 119 PRO CB C 13 31.999 0.3 . 1 . . . . 119 PRO CB . 30023 1 1417 . 1 1 119 119 PRO CG C 13 27.417 0.3 . 1 . . . . 119 PRO CG . 30023 1 1418 . 1 1 119 119 PRO CD C 13 51.021 0.3 . 1 . . . . 119 PRO CD . 30023 1 1419 . 1 1 120 120 ARG H H 1 8.452 0.020 . 1 . . . . 120 ARG H . 30023 1 1420 . 1 1 120 120 ARG HA H 1 4.250 0.020 . 1 . . . . 120 ARG HA . 30023 1 1421 . 1 1 120 120 ARG HB2 H 1 1.820 0.020 . 2 . . . . 120 ARG HB2 . 30023 1 1422 . 1 1 120 120 ARG HB3 H 1 1.713 0.020 . 2 . . . . 120 ARG HB3 . 30023 1 1423 . 1 1 120 120 ARG HG2 H 1 1.641 0.020 . 2 . . . . 120 ARG HG2 . 30023 1 1424 . 1 1 120 120 ARG HG3 H 1 1.598 0.020 . 2 . . . . 120 ARG HG3 . 30023 1 1425 . 1 1 120 120 ARG HD2 H 1 3.129 0.020 . 1 . . . . 120 ARG HD2 . 30023 1 1426 . 1 1 120 120 ARG HD3 H 1 3.129 0.020 . 1 . . . . 120 ARG HD3 . 30023 1 1427 . 1 1 120 120 ARG C C 13 176.966 0.3 . 1 . . . . 120 ARG C . 30023 1 1428 . 1 1 120 120 ARG CA C 13 56.289 0.3 . 1 . . . . 120 ARG CA . 30023 1 1429 . 1 1 120 120 ARG CB C 13 30.694 0.3 . 1 . . . . 120 ARG CB . 30023 1 1430 . 1 1 120 120 ARG CG C 13 27.105 0.3 . 1 . . . . 120 ARG CG . 30023 1 1431 . 1 1 120 120 ARG CD C 13 43.165 0.3 . 1 . . . . 120 ARG CD . 30023 1 1432 . 1 1 120 120 ARG N N 15 122.049 0.3 . 1 . . . . 120 ARG N . 30023 1 1433 . 1 1 121 121 GLY H H 1 8.410 0.020 . 1 . . . . 121 GLY H . 30023 1 1434 . 1 1 121 121 GLY HA2 H 1 3.918 0.020 . 1 . . . . 121 GLY HA2 . 30023 1 1435 . 1 1 121 121 GLY HA3 H 1 3.918 0.020 . 1 . . . . 121 GLY HA3 . 30023 1 1436 . 1 1 121 121 GLY C C 13 174.037 0.3 . 1 . . . . 121 GLY C . 30023 1 1437 . 1 1 121 121 GLY CA C 13 45.164 0.3 . 1 . . . . 121 GLY CA . 30023 1 1438 . 1 1 121 121 GLY N N 15 109.689 0.3 . 1 . . . . 121 GLY N . 30023 1 1439 . 1 1 122 122 SER H H 1 8.128 0.020 . 1 . . . . 122 SER H . 30023 1 1440 . 1 1 122 122 SER HA H 1 4.396 0.020 . 1 . . . . 122 SER HA . 30023 1 1441 . 1 1 122 122 SER HB2 H 1 3.771 0.020 . 1 . . . . 122 SER HB2 . 30023 1 1442 . 1 1 122 122 SER HB3 H 1 3.771 0.020 . 1 . . . . 122 SER HB3 . 30023 1 1443 . 1 1 122 122 SER C C 13 174.648 0.3 . 1 . . . . 122 SER C . 30023 1 1444 . 1 1 122 122 SER CA C 13 58.114 0.3 . 1 . . . . 122 SER CA . 30023 1 1445 . 1 1 122 122 SER CB C 13 63.799 0.3 . 1 . . . . 122 SER CB . 30023 1 1446 . 1 1 122 122 SER N N 15 115.439 0.3 . 1 . . . . 122 SER N . 30023 1 1447 . 1 1 123 123 VAL H H 1 8.073 0.020 . 1 . . . . 123 VAL H . 30023 1 1448 . 1 1 123 123 VAL HA H 1 4.018 0.020 . 1 . . . . 123 VAL HA . 30023 1 1449 . 1 1 123 123 VAL HB H 1 1.982 0.020 . 1 . . . . 123 VAL HB . 30023 1 1450 . 1 1 123 123 VAL HG11 H 1 0.780 0.020 . 1 . . . . 123 VAL HG11 . 30023 1 1451 . 1 1 123 123 VAL HG12 H 1 0.780 0.020 . 1 . . . . 123 VAL HG12 . 30023 1 1452 . 1 1 123 123 VAL HG13 H 1 0.780 0.020 . 1 . . . . 123 VAL HG13 . 30023 1 1453 . 1 1 123 123 VAL HG21 H 1 0.821 0.020 . 1 . . . . 123 VAL HG21 . 30023 1 1454 . 1 1 123 123 VAL HG22 H 1 0.821 0.020 . 1 . . . . 123 VAL HG22 . 30023 1 1455 . 1 1 123 123 VAL HG23 H 1 0.821 0.020 . 1 . . . . 123 VAL HG23 . 30023 1 1456 . 1 1 123 123 VAL C C 13 175.917 0.3 . 1 . . . . 123 VAL C . 30023 1 1457 . 1 1 123 123 VAL CA C 13 62.260 0.3 . 1 . . . . 123 VAL CA . 30023 1 1458 . 1 1 123 123 VAL CB C 13 32.610 0.3 . 1 . . . . 123 VAL CB . 30023 1 1459 . 1 1 123 123 VAL CG1 C 13 20.968 0.3 . 1 . . . . 123 VAL CG1 . 30023 1 1460 . 1 1 123 123 VAL CG2 C 13 20.222 0.3 . 1 . . . . 123 VAL CG2 . 30023 1 1461 . 1 1 123 123 VAL N N 15 121.284 0.3 . 1 . . . . 123 VAL N . 30023 1 1462 . 1 1 124 124 GLU H H 1 8.316 0.020 . 1 . . . . 124 GLU H . 30023 1 1463 . 1 1 124 124 GLU HA H 1 4.120 0.020 . 1 . . . . 124 GLU HA . 30023 1 1464 . 1 1 124 124 GLU HB2 H 1 1.764 0.020 . 2 . . . . 124 GLU HB2 . 30023 1 1465 . 1 1 124 124 GLU HB3 H 1 1.813 0.020 . 2 . . . . 124 GLU HB3 . 30023 1 1466 . 1 1 124 124 GLU HG2 H 1 2.059 0.020 . 2 . . . . 124 GLU HG2 . 30023 1 1467 . 1 1 124 124 GLU HG3 H 1 2.118 0.020 . 2 . . . . 124 GLU HG3 . 30023 1 1468 . 1 1 124 124 GLU C C 13 176.039 0.3 . 1 . . . . 124 GLU C . 30023 1 1469 . 1 1 124 124 GLU CA C 13 56.446 0.3 . 1 . . . . 124 GLU CA . 30023 1 1470 . 1 1 124 124 GLU CB C 13 30.198 0.3 . 1 . . . . 124 GLU CB . 30023 1 1471 . 1 1 124 124 GLU CG C 13 36.098 0.3 . 1 . . . . 124 GLU CG . 30023 1 1472 . 1 1 124 124 GLU N N 15 123.718 0.3 . 1 . . . . 124 GLU N . 30023 1 1473 . 1 1 125 125 HIS H H 1 8.250 0.020 . 1 . . . . 125 HIS H . 30023 1 1474 . 1 1 125 125 HIS HA H 1 4.117 0.020 . 1 . . . . 125 HIS HA . 30023 1 1475 . 1 1 125 125 HIS C C 13 173.842 0.3 . 1 . . . . 125 HIS C . 30023 1 1476 . 1 1 125 125 HIS CA C 13 56.450 0.3 . 1 . . . . 125 HIS CA . 30023 1 1477 . 1 1 125 125 HIS CB C 13 30.018 0.3 . 1 . . . . 125 HIS CB . 30023 1 1478 . 1 1 125 125 HIS N N 15 120.281 0.3 . 1 . . . . 125 HIS N . 30023 1 1479 . 1 1 126 126 HIS H H 1 8.077 0.020 . 1 . . . . 126 HIS H . 30023 1 1480 . 1 1 126 126 HIS HA H 1 4.359 0.020 . 1 . . . . 126 HIS HA . 30023 1 1481 . 1 1 126 126 HIS HB2 H 1 3.136 0.020 . 2 . . . . 126 HIS HB2 . 30023 1 1482 . 1 1 126 126 HIS HB3 H 1 3.019 0.020 . 2 . . . . 126 HIS HB3 . 30023 1 1483 . 1 1 126 126 HIS CA C 13 57.117 0.3 . 1 . . . . 126 HIS CA . 30023 1 1484 . 1 1 126 126 HIS CB C 13 30.065 0.3 . 1 . . . . 126 HIS CB . 30023 1 1485 . 1 1 126 126 HIS N N 15 125.180 0.3 . 1 . . . . 126 HIS N . 30023 1 stop_ save_