data_34085 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34085 _Entry.Title ; Bamb_5917 Acyl-Carrier Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-09 _Entry.Accession_date 2017-01-09 _Entry.Last_release_date 2017-01-20 _Entry.Original_release_date 2017-01-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 A. Gallo A. . . . 34085 2 S. Kosol S. . . . 34085 3 D. Griffiths D. . . . 34085 4 J. Masschelein J. . . . 34085 5 L. Alkhalaf L. . . . 34085 6 H. Smith H. . . . 34085 7 T. Valentic T. . . . 34085 8 S. Tsai S. . . . 34085 9 G. Challis G. . . . 34085 10 J. Lewandowski J. R. . . 34085 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NMR Structural Biology' . 34085 NRPS . 34085 'Peptidyl Carrier Protein' . 34085 'Polyketides Synthases' . 34085 'transport protein' . 34085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 396 34085 '15N chemical shifts' 96 34085 '1H chemical shifts' 640 34085 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 . . 2019-11-12 2017-01-09 update BMRB 'update entry citation' 34085 1 . . 2018-07-26 2017-01-09 original author 'original release' 34085 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MTI 'BMRB Entry Tracking System' 34085 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34085 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31548674 _Citation.Full_citation . _Citation.Title ; Structural basis for chain release from the enacyloxin polyketide synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem.' _Citation.Journal_name_full 'Nature chemistry' _Citation.Journal_volume 11 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1755-4349 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 913 _Citation.Page_last 923 _Citation.Year 2019 _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 Simone Kosol S. . . . 34085 1 2 Angelo Gallo A. . . . 34085 1 3 Daniel Griffiths D. . . . 34085 1 4 Timothy Valentic T. R. . . 34085 1 5 Joleen Masschelein J. . . . 34085 1 6 Matthew Jenner M. . . . 34085 1 7 Emmanuel 'de Los Santos' . . . . 34085 1 8 Lucio Manzi L. . . . 34085 1 9 Paulina Sydor P. K. . . 34085 1 10 Dean Rea D. . . . 34085 1 11 Shanshan Zhou S. . . . 34085 1 12 Vilmos Fulop V. . . . 34085 1 13 Neil Oldham N. J. . . 34085 1 14 Shiou-Chuan Tsai S. C. . . 34085 1 15 Gregory Challis G. L. . . 34085 1 16 Jozef Lewandowski J. R. . . 34085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34085 _Assembly.ID 1 _Assembly.Name 'Phosphopantetheine-binding 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 . . . . . . 34085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Phosphopantetheine-binding 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 ; GIDPFTGAAAGVSAAGIEPD LTAIWQALFALPAVGRHQDF FALGGDSQLGLRMLAQLRER HGVDLPLRCLYEAPTVARLA ETIVRLAAPAPSGDQDDASE YEEGVIR ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11323.716 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Stretch of the full protein sequence from residues 215 to 315 GIDPFT TEV cleavage site ; _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 -5 GLY . 34085 1 2 -4 ILE . 34085 1 3 -3 ASP . 34085 1 4 -2 PRO . 34085 1 5 -1 PHE . 34085 1 6 0 THR . 34085 1 7 1 GLY . 34085 1 8 2 ALA . 34085 1 9 3 ALA . 34085 1 10 4 ALA . 34085 1 11 5 GLY . 34085 1 12 6 VAL . 34085 1 13 7 SER . 34085 1 14 8 ALA . 34085 1 15 9 ALA . 34085 1 16 10 GLY . 34085 1 17 11 ILE . 34085 1 18 12 GLU . 34085 1 19 13 PRO . 34085 1 20 14 ASP . 34085 1 21 15 LEU . 34085 1 22 16 THR . 34085 1 23 17 ALA . 34085 1 24 18 ILE . 34085 1 25 19 TRP . 34085 1 26 20 GLN . 34085 1 27 21 ALA . 34085 1 28 22 LEU . 34085 1 29 23 PHE . 34085 1 30 24 ALA . 34085 1 31 25 LEU . 34085 1 32 26 PRO . 34085 1 33 27 ALA . 34085 1 34 28 VAL . 34085 1 35 29 GLY . 34085 1 36 30 ARG . 34085 1 37 31 HIS . 34085 1 38 32 GLN . 34085 1 39 33 ASP . 34085 1 40 34 PHE . 34085 1 41 35 PHE . 34085 1 42 36 ALA . 34085 1 43 37 LEU . 34085 1 44 38 GLY . 34085 1 45 39 GLY . 34085 1 46 40 ASP . 34085 1 47 41 SER . 34085 1 48 42 GLN . 34085 1 49 43 LEU . 34085 1 50 44 GLY . 34085 1 51 45 LEU . 34085 1 52 46 ARG . 34085 1 53 47 MET . 34085 1 54 48 LEU . 34085 1 55 49 ALA . 34085 1 56 50 GLN . 34085 1 57 51 LEU . 34085 1 58 52 ARG . 34085 1 59 53 GLU . 34085 1 60 54 ARG . 34085 1 61 55 HIS . 34085 1 62 56 GLY . 34085 1 63 57 VAL . 34085 1 64 58 ASP . 34085 1 65 59 LEU . 34085 1 66 60 PRO . 34085 1 67 61 LEU . 34085 1 68 62 ARG . 34085 1 69 63 CYS . 34085 1 70 64 LEU . 34085 1 71 65 TYR . 34085 1 72 66 GLU . 34085 1 73 67 ALA . 34085 1 74 68 PRO . 34085 1 75 69 THR . 34085 1 76 70 VAL . 34085 1 77 71 ALA . 34085 1 78 72 ARG . 34085 1 79 73 LEU . 34085 1 80 74 ALA . 34085 1 81 75 GLU . 34085 1 82 76 THR . 34085 1 83 77 ILE . 34085 1 84 78 VAL . 34085 1 85 79 ARG . 34085 1 86 80 LEU . 34085 1 87 81 ALA . 34085 1 88 82 ALA . 34085 1 89 83 PRO . 34085 1 90 84 ALA . 34085 1 91 85 PRO . 34085 1 92 86 SER . 34085 1 93 87 GLY . 34085 1 94 88 ASP . 34085 1 95 89 GLN . 34085 1 96 90 ASP . 34085 1 97 91 ASP . 34085 1 98 92 ALA . 34085 1 99 93 SER . 34085 1 100 94 GLU . 34085 1 101 95 TYR . 34085 1 102 96 GLU . 34085 1 103 97 GLU . 34085 1 104 98 GLY . 34085 1 105 99 VAL . 34085 1 106 100 ILE . 34085 1 107 101 ARG . 34085 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34085 1 . ILE 2 2 34085 1 . ASP 3 3 34085 1 . PRO 4 4 34085 1 . PHE 5 5 34085 1 . THR 6 6 34085 1 . GLY 7 7 34085 1 . ALA 8 8 34085 1 . ALA 9 9 34085 1 . ALA 10 10 34085 1 . GLY 11 11 34085 1 . VAL 12 12 34085 1 . SER 13 13 34085 1 . ALA 14 14 34085 1 . ALA 15 15 34085 1 . GLY 16 16 34085 1 . ILE 17 17 34085 1 . GLU 18 18 34085 1 . PRO 19 19 34085 1 . ASP 20 20 34085 1 . LEU 21 21 34085 1 . THR 22 22 34085 1 . ALA 23 23 34085 1 . ILE 24 24 34085 1 . TRP 25 25 34085 1 . GLN 26 26 34085 1 . ALA 27 27 34085 1 . LEU 28 28 34085 1 . PHE 29 29 34085 1 . ALA 30 30 34085 1 . LEU 31 31 34085 1 . PRO 32 32 34085 1 . ALA 33 33 34085 1 . VAL 34 34 34085 1 . GLY 35 35 34085 1 . ARG 36 36 34085 1 . HIS 37 37 34085 1 . GLN 38 38 34085 1 . ASP 39 39 34085 1 . PHE 40 40 34085 1 . PHE 41 41 34085 1 . ALA 42 42 34085 1 . LEU 43 43 34085 1 . GLY 44 44 34085 1 . GLY 45 45 34085 1 . ASP 46 46 34085 1 . SER 47 47 34085 1 . GLN 48 48 34085 1 . LEU 49 49 34085 1 . GLY 50 50 34085 1 . LEU 51 51 34085 1 . ARG 52 52 34085 1 . MET 53 53 34085 1 . LEU 54 54 34085 1 . ALA 55 55 34085 1 . GLN 56 56 34085 1 . LEU 57 57 34085 1 . ARG 58 58 34085 1 . GLU 59 59 34085 1 . ARG 60 60 34085 1 . HIS 61 61 34085 1 . GLY 62 62 34085 1 . VAL 63 63 34085 1 . ASP 64 64 34085 1 . LEU 65 65 34085 1 . PRO 66 66 34085 1 . LEU 67 67 34085 1 . ARG 68 68 34085 1 . CYS 69 69 34085 1 . LEU 70 70 34085 1 . TYR 71 71 34085 1 . GLU 72 72 34085 1 . ALA 73 73 34085 1 . PRO 74 74 34085 1 . THR 75 75 34085 1 . VAL 76 76 34085 1 . ALA 77 77 34085 1 . ARG 78 78 34085 1 . LEU 79 79 34085 1 . ALA 80 80 34085 1 . GLU 81 81 34085 1 . THR 82 82 34085 1 . ILE 83 83 34085 1 . VAL 84 84 34085 1 . ARG 85 85 34085 1 . LEU 86 86 34085 1 . ALA 87 87 34085 1 . ALA 88 88 34085 1 . PRO 89 89 34085 1 . ALA 90 90 34085 1 . PRO 91 91 34085 1 . SER 92 92 34085 1 . GLY 93 93 34085 1 . ASP 94 94 34085 1 . GLN 95 95 34085 1 . ASP 96 96 34085 1 . ASP 97 97 34085 1 . ALA 98 98 34085 1 . SER 99 99 34085 1 . GLU 100 100 34085 1 . TYR 101 101 34085 1 . GLU 102 102 34085 1 . GLU 103 103 34085 1 . GLY 104 104 34085 1 . VAL 105 105 34085 1 . ILE 106 106 34085 1 . ARG 107 107 34085 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 34085 _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 . 339670 organism . 'Burkholderia ambifaria AMMD' b-proteobacteria . . Bacteria . Burkholderia ambifaria . . . . . . . BAA-244 . . . Bamb_5917 . 34085 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 34085 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . pET151/D-TOPO . . . . . . 34085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34085 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 15N] 15N_PCP17, 50 mM potassium phosphate, 200 mM sodium chloride, 1 % DSS, 90 % H2O, 10 % D2O, 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 15N_PCP17 '[U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34085 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34085 1 3 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34085 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34085 1 5 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34085 1 6 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34085 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34085 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.3 mM [U-13C; U-15N] 13C,15N_PCP17, 50 mM potassium phosphate, 200 mM sodium chloride, 1 % DSS, 90 % H2O, 10 % D2O, 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 13C,15N_PCP17 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 34085 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34085 2 3 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34085 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34085 2 5 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34085 2 6 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34085 2 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 34085 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 34085 1 pH 6.50 0.05 pH 34085 1 pressure 1 . atm 34085 1 temperature 288 . K 34085 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34085 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version 14 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34085 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34085 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34085 _Software.ID 2 _Software.Type . _Software.Name ATNOS/CANDID _Software.Version UNIO _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34085 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 34085 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34085 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34085 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34085 3 . 'data analysis' 34085 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34085 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34085 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34085 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34085 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5pl6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34085 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34085 5 . processing 34085 5 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 34085 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34085 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 700 . . . 34085 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 34085 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 9 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34085 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 34085 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34085 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34085 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34085 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 34085 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34085 1 2 '3D 1H-15N NOESY' . . . 34085 1 3 '3D 1H-13C NOESY' . . . 34085 1 4 '3D HNCO' . . . 34085 1 5 '3D HN(CA)CO' . . . 34085 1 6 '3D HNCA' . . . 34085 1 7 '3D HN(CO)CA' . . . 34085 1 8 '3D HNCACB' . . . 34085 1 9 '3D HN(CO)CACB' . . . 34085 1 10 '3D HBHA(CO)NH' . . . 34085 1 11 '3D HCCH-TOCSY' . . . 34085 1 12 '2D 1H-15N HSQC' . . . 34085 1 13 '2D 1H-13C HSQC' . . . 34085 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY H H 1 8.067 . . 1 . . . . A 7 GLY H . 34085 1 2 . 1 1 7 7 GLY HA2 H 1 3.913 . . 2 . . . . A 7 GLY HA2 . 34085 1 3 . 1 1 7 7 GLY HA3 H 1 3.851 . . 2 . . . . A 7 GLY HA3 . 34085 1 4 . 1 1 7 7 GLY C C 13 173.714 . . 1 . . . . A 7 GLY C . 34085 1 5 . 1 1 7 7 GLY CA C 13 45.480 . . 1 . . . . A 7 GLY CA . 34085 1 6 . 1 1 7 7 GLY N N 15 110.713 . . 1 . . . . A 7 GLY N . 34085 1 7 . 1 1 8 8 ALA H H 1 8.193 . . 1 . . . . A 8 ALA H . 34085 1 8 . 1 1 8 8 ALA HA H 1 4.285 . . 1 . . . . A 8 ALA HA . 34085 1 9 . 1 1 8 8 ALA HB1 H 1 1.345 . . 1 . . . . A 8 ALA MB . 34085 1 10 . 1 1 8 8 ALA HB2 H 1 1.345 . . 1 . . . . A 8 ALA MB . 34085 1 11 . 1 1 8 8 ALA HB3 H 1 1.345 . . 1 . . . . A 8 ALA MB . 34085 1 12 . 1 1 8 8 ALA C C 13 177.365 . . 1 . . . . A 8 ALA C . 34085 1 13 . 1 1 8 8 ALA CA C 13 52.714 . . 1 . . . . A 8 ALA CA . 34085 1 14 . 1 1 8 8 ALA CB C 13 19.273 . . 1 . . . . A 8 ALA CB . 34085 1 15 . 1 1 8 8 ALA N N 15 123.662 . . 1 . . . . A 8 ALA N . 34085 1 16 . 1 1 9 9 ALA H H 1 8.402 . . 1 . . . . A 9 ALA H . 34085 1 17 . 1 1 9 9 ALA HA H 1 4.272 . . 1 . . . . A 9 ALA HA . 34085 1 18 . 1 1 9 9 ALA HB1 H 1 1.365 . . 1 . . . . A 9 ALA MB . 34085 1 19 . 1 1 9 9 ALA HB2 H 1 1.365 . . 1 . . . . A 9 ALA MB . 34085 1 20 . 1 1 9 9 ALA HB3 H 1 1.365 . . 1 . . . . A 9 ALA MB . 34085 1 21 . 1 1 9 9 ALA C C 13 177.497 . . 1 . . . . A 9 ALA C . 34085 1 22 . 1 1 9 9 ALA CA C 13 52.665 . . 1 . . . . A 9 ALA CA . 34085 1 23 . 1 1 9 9 ALA CB C 13 19.389 . . 1 . . . . A 9 ALA CB . 34085 1 24 . 1 1 9 9 ALA N N 15 123.073 . . 1 . . . . A 9 ALA N . 34085 1 25 . 1 1 10 10 ALA H H 1 8.258 . . 1 . . . . A 10 ALA H . 34085 1 26 . 1 1 10 10 ALA HA H 1 4.264 . . 1 . . . . A 10 ALA HA . 34085 1 27 . 1 1 10 10 ALA HB1 H 1 1.360 . . 1 . . . . A 10 ALA MB . 34085 1 28 . 1 1 10 10 ALA HB2 H 1 1.360 . . 1 . . . . A 10 ALA MB . 34085 1 29 . 1 1 10 10 ALA HB3 H 1 1.360 . . 1 . . . . A 10 ALA MB . 34085 1 30 . 1 1 10 10 ALA C C 13 178.179 . . 1 . . . . A 10 ALA C . 34085 1 31 . 1 1 10 10 ALA CA C 13 52.723 . . 1 . . . . A 10 ALA CA . 34085 1 32 . 1 1 10 10 ALA CB C 13 19.221 . . 1 . . . . A 10 ALA CB . 34085 1 33 . 1 1 10 10 ALA N N 15 122.841 . . 1 . . . . A 10 ALA N . 34085 1 34 . 1 1 11 11 GLY H H 1 8.327 . . 1 . . . . A 11 GLY H . 34085 1 35 . 1 1 11 11 GLY HA2 H 1 3.922 . . 2 . . . . A 11 GLY HA2 . 34085 1 36 . 1 1 11 11 GLY HA3 H 1 3.881 . . 2 . . . . A 11 GLY HA3 . 34085 1 37 . 1 1 11 11 GLY C C 13 174.054 . . 1 . . . . A 11 GLY C . 34085 1 38 . 1 1 11 11 GLY CA C 13 45.345 . . 1 . . . . A 11 GLY CA . 34085 1 39 . 1 1 11 11 GLY N N 15 108.095 . . 1 . . . . A 11 GLY N . 34085 1 40 . 1 1 12 12 VAL H H 1 8.049 . . 1 . . . . A 12 VAL H . 34085 1 41 . 1 1 12 12 VAL HA H 1 4.107 . . 1 . . . . A 12 VAL HA . 34085 1 42 . 1 1 12 12 VAL HB H 1 2.006 . . 1 . . . . A 12 VAL HB . 34085 1 43 . 1 1 12 12 VAL HG11 H 1 0.839 . . 2 . . . . A 12 VAL MG1 . 34085 1 44 . 1 1 12 12 VAL HG12 H 1 0.839 . . 2 . . . . A 12 VAL MG1 . 34085 1 45 . 1 1 12 12 VAL HG13 H 1 0.839 . . 2 . . . . A 12 VAL MG1 . 34085 1 46 . 1 1 12 12 VAL HG21 H 1 0.884 . . 2 . . . . A 12 VAL MG2 . 34085 1 47 . 1 1 12 12 VAL HG22 H 1 0.884 . . 2 . . . . A 12 VAL MG2 . 34085 1 48 . 1 1 12 12 VAL HG23 H 1 0.884 . . 2 . . . . A 12 VAL MG2 . 34085 1 49 . 1 1 12 12 VAL C C 13 175.977 . . 1 . . . . A 12 VAL C . 34085 1 50 . 1 1 12 12 VAL CA C 13 62.176 . . 1 . . . . A 12 VAL CA . 34085 1 51 . 1 1 12 12 VAL CB C 13 32.954 . . 1 . . . . A 12 VAL CB . 34085 1 52 . 1 1 12 12 VAL CG1 C 13 21.134 . . 2 . . . . A 12 VAL CG1 . 34085 1 53 . 1 1 12 12 VAL CG2 C 13 20.753 . . 2 . . . . A 12 VAL CG2 . 34085 1 54 . 1 1 12 12 VAL N N 15 119.898 . . 1 . . . . A 12 VAL N . 34085 1 55 . 1 1 13 13 SER H H 1 8.446 . . 1 . . . . A 13 SER H . 34085 1 56 . 1 1 13 13 SER HA H 1 4.531 . . 1 . . . . A 13 SER HA . 34085 1 57 . 1 1 13 13 SER HB2 H 1 3.901 . . 2 . . . . A 13 SER HB2 . 34085 1 58 . 1 1 13 13 SER HB3 H 1 3.970 . . 2 . . . . A 13 SER HB3 . 34085 1 59 . 1 1 13 13 SER C C 13 174.726 . . 1 . . . . A 13 SER C . 34085 1 60 . 1 1 13 13 SER CA C 13 57.979 . . 1 . . . . A 13 SER CA . 34085 1 61 . 1 1 13 13 SER CB C 13 64.590 . . 1 . . . . A 13 SER CB . 34085 1 62 . 1 1 13 13 SER N N 15 120.116 . . 1 . . . . A 13 SER N . 34085 1 63 . 1 1 14 14 ALA H H 1 8.983 . . 1 . . . . A 14 ALA H . 34085 1 64 . 1 1 14 14 ALA HA H 1 3.929 . . 1 . . . . A 14 ALA HA . 34085 1 65 . 1 1 14 14 ALA HB1 H 1 1.350 . . 1 . . . . A 14 ALA MB . 34085 1 66 . 1 1 14 14 ALA HB2 H 1 1.350 . . 1 . . . . A 14 ALA MB . 34085 1 67 . 1 1 14 14 ALA HB3 H 1 1.350 . . 1 . . . . A 14 ALA MB . 34085 1 68 . 1 1 14 14 ALA C C 13 178.691 . . 1 . . . . A 14 ALA C . 34085 1 69 . 1 1 14 14 ALA CA C 13 54.975 . . 1 . . . . A 14 ALA CA . 34085 1 70 . 1 1 14 14 ALA CB C 13 18.978 . . 1 . . . . A 14 ALA CB . 34085 1 71 . 1 1 14 14 ALA N N 15 126.735 . . 1 . . . . A 14 ALA N . 34085 1 72 . 1 1 15 15 ALA H H 1 8.297 . . 1 . . . . A 15 ALA H . 34085 1 73 . 1 1 15 15 ALA HA H 1 4.035 . . 1 . . . . A 15 ALA HA . 34085 1 74 . 1 1 15 15 ALA HB1 H 1 1.322 . . 1 . . . . A 15 ALA MB . 34085 1 75 . 1 1 15 15 ALA HB2 H 1 1.322 . . 1 . . . . A 15 ALA MB . 34085 1 76 . 1 1 15 15 ALA HB3 H 1 1.322 . . 1 . . . . A 15 ALA MB . 34085 1 77 . 1 1 15 15 ALA C C 13 179.390 . . 1 . . . . A 15 ALA C . 34085 1 78 . 1 1 15 15 ALA CA C 13 53.997 . . 1 . . . . A 15 ALA CA . 34085 1 79 . 1 1 15 15 ALA CB C 13 18.708 . . 1 . . . . A 15 ALA CB . 34085 1 80 . 1 1 15 15 ALA N N 15 119.306 . . 1 . . . . A 15 ALA N . 34085 1 81 . 1 1 16 16 GLY H H 1 7.887 . . 1 . . . . A 16 GLY H . 34085 1 82 . 1 1 16 16 GLY HA2 H 1 3.882 . . 2 . . . . A 16 GLY HA2 . 34085 1 83 . 1 1 16 16 GLY HA3 H 1 3.921 . . 2 . . . . A 16 GLY HA3 . 34085 1 84 . 1 1 16 16 GLY C C 13 174.761 . . 1 . . . . A 16 GLY C . 34085 1 85 . 1 1 16 16 GLY CA C 13 45.772 . . 1 . . . . A 16 GLY CA . 34085 1 86 . 1 1 16 16 GLY N N 15 104.837 . . 1 . . . . A 16 GLY N . 34085 1 87 . 1 1 17 17 ILE H H 1 7.754 . . 1 . . . . A 17 ILE H . 34085 1 88 . 1 1 17 17 ILE HA H 1 4.171 . . 1 . . . . A 17 ILE HA . 34085 1 89 . 1 1 17 17 ILE HB H 1 1.744 . . 1 . . . . A 17 ILE HB . 34085 1 90 . 1 1 17 17 ILE HG12 H 1 1.394 . . 2 . . . . A 17 ILE HG12 . 34085 1 91 . 1 1 17 17 ILE HG13 H 1 1.366 . . 2 . . . . A 17 ILE HG13 . 34085 1 92 . 1 1 17 17 ILE HG21 H 1 0.803 . . 1 . . . . A 17 ILE MG . 34085 1 93 . 1 1 17 17 ILE HG22 H 1 0.803 . . 1 . . . . A 17 ILE MG . 34085 1 94 . 1 1 17 17 ILE HG23 H 1 0.803 . . 1 . . . . A 17 ILE MG . 34085 1 95 . 1 1 17 17 ILE HD11 H 1 0.633 . . 1 . . . . A 17 ILE MD . 34085 1 96 . 1 1 17 17 ILE HD12 H 1 0.633 . . 1 . . . . A 17 ILE MD . 34085 1 97 . 1 1 17 17 ILE HD13 H 1 0.633 . . 1 . . . . A 17 ILE MD . 34085 1 98 . 1 1 17 17 ILE C C 13 176.623 . . 1 . . . . A 17 ILE C . 34085 1 99 . 1 1 17 17 ILE CA C 13 60.863 . . 1 . . . . A 17 ILE CA . 34085 1 100 . 1 1 17 17 ILE CB C 13 39.263 . . 1 . . . . A 17 ILE CB . 34085 1 101 . 1 1 17 17 ILE CG1 C 13 27.074 . . 1 . . . . A 17 ILE CG1 . 34085 1 102 . 1 1 17 17 ILE CG2 C 13 17.690 . . 1 . . . . A 17 ILE CG2 . 34085 1 103 . 1 1 17 17 ILE CD1 C 13 13.326 . . 1 . . . . A 17 ILE CD1 . 34085 1 104 . 1 1 17 17 ILE N N 15 118.790 . . 1 . . . . A 17 ILE N . 34085 1 105 . 1 1 18 18 GLU H H 1 7.660 . . 1 . . . . A 18 GLU H . 34085 1 106 . 1 1 18 18 GLU HA H 1 4.196 . . 1 . . . . A 18 GLU HA . 34085 1 107 . 1 1 18 18 GLU HB2 H 1 1.946 . . 2 . . . . A 18 GLU HB2 . 34085 1 108 . 1 1 18 18 GLU HB3 H 1 1.926 . . 2 . . . . A 18 GLU HB3 . 34085 1 109 . 1 1 18 18 GLU HG2 H 1 2.267 . . 2 . . . . A 18 GLU HG2 . 34085 1 110 . 1 1 18 18 GLU HG3 H 1 2.261 . . 2 . . . . A 18 GLU HG3 . 34085 1 111 . 1 1 18 18 GLU C C 13 175.699 . . 1 . . . . A 18 GLU C . 34085 1 112 . 1 1 18 18 GLU CA C 13 56.503 . . 1 . . . . A 18 GLU CA . 34085 1 113 . 1 1 18 18 GLU CB C 13 30.209 . . 1 . . . . A 18 GLU CB . 34085 1 114 . 1 1 18 18 GLU CG C 13 36.411 . . 1 . . . . A 18 GLU CG . 34085 1 115 . 1 1 18 18 GLU N N 15 114.846 . . 1 . . . . A 18 GLU N . 34085 1 116 . 1 1 19 19 PRO HA H 1 4.428 . . 1 . . . . A 19 PRO HA . 34085 1 117 . 1 1 19 19 PRO HB2 H 1 2.288 . . 2 . . . . A 19 PRO HB2 . 34085 1 118 . 1 1 19 19 PRO HB3 H 1 2.257 . . 2 . . . . A 19 PRO HB3 . 34085 1 119 . 1 1 19 19 PRO HG2 H 1 1.893 . . 2 . . . . A 19 PRO HG2 . 34085 1 120 . 1 1 19 19 PRO HG3 H 1 1.912 . . 2 . . . . A 19 PRO HG3 . 34085 1 121 . 1 1 19 19 PRO HD2 H 1 3.799 . . 2 . . . . A 19 PRO HD2 . 34085 1 122 . 1 1 19 19 PRO HD3 H 1 3.808 . . 2 . . . . A 19 PRO HD3 . 34085 1 123 . 1 1 19 19 PRO C C 13 177.145 . . 1 . . . . A 19 PRO C . 34085 1 124 . 1 1 19 19 PRO CA C 13 63.354 . . 1 . . . . A 19 PRO CA . 34085 1 125 . 1 1 19 19 PRO CB C 13 32.096 . . 1 . . . . A 19 PRO CB . 34085 1 126 . 1 1 19 19 PRO CG C 13 27.059 . . 1 . . . . A 19 PRO CG . 34085 1 127 . 1 1 19 19 PRO CD C 13 50.925 . . 1 . . . . A 19 PRO CD . 34085 1 128 . 1 1 20 20 ASP H H 1 8.619 . . 1 . . . . A 20 ASP H . 34085 1 129 . 1 1 20 20 ASP HA H 1 4.189 . . 1 . . . . A 20 ASP HA . 34085 1 130 . 1 1 20 20 ASP HB2 H 1 2.530 . . 2 . . . . A 20 ASP HB2 . 34085 1 131 . 1 1 20 20 ASP HB3 H 1 2.805 . . 2 . . . . A 20 ASP HB3 . 34085 1 132 . 1 1 20 20 ASP C C 13 177.497 . . 1 . . . . A 20 ASP C . 34085 1 133 . 1 1 20 20 ASP CA C 13 56.050 . . 1 . . . . A 20 ASP CA . 34085 1 134 . 1 1 20 20 ASP CB C 13 41.499 . . 1 . . . . A 20 ASP CB . 34085 1 135 . 1 1 20 20 ASP N N 15 127.077 . . 1 . . . . A 20 ASP N . 34085 1 136 . 1 1 21 21 LEU H H 1 7.804 . . 1 . . . . A 21 LEU H . 34085 1 137 . 1 1 21 21 LEU HA H 1 3.947 . . 1 . . . . A 21 LEU HA . 34085 1 138 . 1 1 21 21 LEU HB2 H 1 1.490 . . 2 . . . . A 21 LEU HB2 . 34085 1 139 . 1 1 21 21 LEU HB3 H 1 1.506 . . 2 . . . . A 21 LEU HB3 . 34085 1 140 . 1 1 21 21 LEU HG H 1 0.666 . . 1 . . . . A 21 LEU HG . 34085 1 141 . 1 1 21 21 LEU HD11 H 1 0.539 . . 2 . . . . A 21 LEU MD1 . 34085 1 142 . 1 1 21 21 LEU HD12 H 1 0.539 . . 2 . . . . A 21 LEU MD1 . 34085 1 143 . 1 1 21 21 LEU HD13 H 1 0.539 . . 2 . . . . A 21 LEU MD1 . 34085 1 144 . 1 1 21 21 LEU HD21 H 1 0.541 . . 2 . . . . A 21 LEU MD2 . 34085 1 145 . 1 1 21 21 LEU HD22 H 1 0.541 . . 2 . . . . A 21 LEU MD2 . 34085 1 146 . 1 1 21 21 LEU HD23 H 1 0.541 . . 2 . . . . A 21 LEU MD2 . 34085 1 147 . 1 1 21 21 LEU C C 13 177.849 . . 1 . . . . A 21 LEU C . 34085 1 148 . 1 1 21 21 LEU CA C 13 55.161 . . 1 . . . . A 21 LEU CA . 34085 1 149 . 1 1 21 21 LEU CB C 13 42.299 . . 1 . . . . A 21 LEU CB . 34085 1 150 . 1 1 21 21 LEU CG C 13 26.091 . . 1 . . . . A 21 LEU CG . 34085 1 151 . 1 1 21 21 LEU CD1 C 13 22.304 . . 2 . . . . A 21 LEU CD1 . 34085 1 152 . 1 1 21 21 LEU CD2 C 13 22.493 . . 2 . . . . A 21 LEU CD2 . 34085 1 153 . 1 1 21 21 LEU N N 15 121.080 . . 1 . . . . A 21 LEU N . 34085 1 154 . 1 1 22 22 THR H H 1 8.583 . . 1 . . . . A 22 THR H . 34085 1 155 . 1 1 22 22 THR HA H 1 4.225 . . 1 . . . . A 22 THR HA . 34085 1 156 . 1 1 22 22 THR HB H 1 4.881 . . 1 . . . . A 22 THR HB . 34085 1 157 . 1 1 22 22 THR HG21 H 1 1.187 . . 1 . . . . A 22 THR MG . 34085 1 158 . 1 1 22 22 THR HG22 H 1 1.187 . . 1 . . . . A 22 THR MG . 34085 1 159 . 1 1 22 22 THR HG23 H 1 1.187 . . 1 . . . . A 22 THR MG . 34085 1 160 . 1 1 22 22 THR C C 13 175.685 . . 1 . . . . A 22 THR C . 34085 1 161 . 1 1 22 22 THR CA C 13 70.166 . . 1 . . . . A 22 THR CA . 34085 1 162 . 1 1 22 22 THR CB C 13 68.405 . . 1 . . . . A 22 THR CB . 34085 1 163 . 1 1 22 22 THR CG2 C 13 21.705 . . 1 . . . . A 22 THR CG2 . 34085 1 164 . 1 1 22 22 THR N N 15 115.603 . . 1 . . . . A 22 THR N . 34085 1 165 . 1 1 23 23 ALA H H 1 7.790 . . 1 . . . . A 23 ALA H . 34085 1 166 . 1 1 23 23 ALA HA H 1 4.151 . . 1 . . . . A 23 ALA HA . 34085 1 167 . 1 1 23 23 ALA HB1 H 1 1.569 . . 1 . . . . A 23 ALA MB . 34085 1 168 . 1 1 23 23 ALA HB2 H 1 1.569 . . 1 . . . . A 23 ALA MB . 34085 1 169 . 1 1 23 23 ALA HB3 H 1 1.569 . . 1 . . . . A 23 ALA MB . 34085 1 170 . 1 1 23 23 ALA C C 13 181.418 . . 1 . . . . A 23 ALA C . 34085 1 171 . 1 1 23 23 ALA CA C 13 55.944 . . 1 . . . . A 23 ALA CA . 34085 1 172 . 1 1 23 23 ALA CB C 13 18.275 . . 1 . . . . A 23 ALA CB . 34085 1 173 . 1 1 23 23 ALA N N 15 122.169 . . 1 . . . . A 23 ALA N . 34085 1 174 . 1 1 24 24 ILE H H 1 7.748 . . 1 . . . . A 24 ILE H . 34085 1 175 . 1 1 24 24 ILE HA H 1 3.912 . . 1 . . . . A 24 ILE HA . 34085 1 176 . 1 1 24 24 ILE HB H 1 2.260 . . 1 . . . . A 24 ILE HB . 34085 1 177 . 1 1 24 24 ILE HG12 H 1 1.563 . . 2 . . . . A 24 ILE HG12 . 34085 1 178 . 1 1 24 24 ILE HG13 H 1 1.575 . . 2 . . . . A 24 ILE HG13 . 34085 1 179 . 1 1 24 24 ILE HG21 H 1 1.189 . . 1 . . . . A 24 ILE MG . 34085 1 180 . 1 1 24 24 ILE HG22 H 1 1.189 . . 1 . . . . A 24 ILE MG . 34085 1 181 . 1 1 24 24 ILE HG23 H 1 1.189 . . 1 . . . . A 24 ILE MG . 34085 1 182 . 1 1 24 24 ILE HD11 H 1 0.959 . . 1 . . . . A 24 ILE MD . 34085 1 183 . 1 1 24 24 ILE HD12 H 1 0.959 . . 1 . . . . A 24 ILE MD . 34085 1 184 . 1 1 24 24 ILE HD13 H 1 0.959 . . 1 . . . . A 24 ILE MD . 34085 1 185 . 1 1 24 24 ILE C C 13 178.698 . . 1 . . . . A 24 ILE C . 34085 1 186 . 1 1 24 24 ILE CA C 13 65.668 . . 1 . . . . A 24 ILE CA . 34085 1 187 . 1 1 24 24 ILE CB C 13 38.964 . . 1 . . . . A 24 ILE CB . 34085 1 188 . 1 1 24 24 ILE CG1 C 13 27.121 . . 1 . . . . A 24 ILE CG1 . 34085 1 189 . 1 1 24 24 ILE CG2 C 13 18.681 . . 1 . . . . A 24 ILE CG2 . 34085 1 190 . 1 1 24 24 ILE CD1 C 13 13.797 . . 1 . . . . A 24 ILE CD1 . 34085 1 191 . 1 1 24 24 ILE N N 15 118.751 . . 1 . . . . A 24 ILE N . 34085 1 192 . 1 1 25 25 TRP H H 1 9.166 . . 1 . . . . A 25 TRP H . 34085 1 193 . 1 1 25 25 TRP HA H 1 4.375 . . 1 . . . . A 25 TRP HA . 34085 1 194 . 1 1 25 25 TRP HB2 H 1 3.439 . . 2 . . . . A 25 TRP HB2 . 34085 1 195 . 1 1 25 25 TRP HB3 H 1 3.243 . . 2 . . . . A 25 TRP HB3 . 34085 1 196 . 1 1 25 25 TRP HE1 H 1 8.820 . . 1 . . . . A 25 TRP HE1 . 34085 1 197 . 1 1 25 25 TRP C C 13 178.029 . . 1 . . . . A 25 TRP C . 34085 1 198 . 1 1 25 25 TRP CA C 13 62.441 . . 1 . . . . A 25 TRP CA . 34085 1 199 . 1 1 25 25 TRP CB C 13 28.781 . . 1 . . . . A 25 TRP CB . 34085 1 200 . 1 1 25 25 TRP N N 15 122.133 . . 1 . . . . A 25 TRP N . 34085 1 201 . 1 1 25 25 TRP NE1 N 15 120.909 . . 1 . . . . A 25 TRP NE1 . 34085 1 202 . 1 1 26 26 GLN H H 1 9.232 . . 1 . . . . A 26 GLN H . 34085 1 203 . 1 1 26 26 GLN HA H 1 3.888 . . 1 . . . . A 26 GLN HA . 34085 1 204 . 1 1 26 26 GLN HB2 H 1 2.208 . . 2 . . . . A 26 GLN HB2 . 34085 1 205 . 1 1 26 26 GLN HB3 H 1 2.254 . . 2 . . . . A 26 GLN HB3 . 34085 1 206 . 1 1 26 26 GLN HG2 H 1 2.457 . . 2 . . . . A 26 GLN HG2 . 34085 1 207 . 1 1 26 26 GLN HG3 H 1 2.471 . . 2 . . . . A 26 GLN HG3 . 34085 1 208 . 1 1 26 26 GLN HE21 H 1 6.844 . . 2 . . . . A 26 GLN HE21 . 34085 1 209 . 1 1 26 26 GLN HE22 H 1 7.129 . . 2 . . . . A 26 GLN HE22 . 34085 1 210 . 1 1 26 26 GLN C C 13 178.179 . . 1 . . . . A 26 GLN C . 34085 1 211 . 1 1 26 26 GLN CA C 13 60.269 . . 1 . . . . A 26 GLN CA . 34085 1 212 . 1 1 26 26 GLN CB C 13 28.988 . . 1 . . . . A 26 GLN CB . 34085 1 213 . 1 1 26 26 GLN CG C 13 34.524 . . 1 . . . . A 26 GLN CG . 34085 1 214 . 1 1 26 26 GLN N N 15 118.397 . . 1 . . . . A 26 GLN N . 34085 1 215 . 1 1 26 26 GLN NE2 N 15 109.445 . . 1 . . . . A 26 GLN NE2 . 34085 1 216 . 1 1 27 27 ALA H H 1 7.417 . . 1 . . . . A 27 ALA H . 34085 1 217 . 1 1 27 27 ALA HA H 1 4.257 . . 1 . . . . A 27 ALA HA . 34085 1 218 . 1 1 27 27 ALA HB1 H 1 1.540 . . 1 . . . . A 27 ALA MB . 34085 1 219 . 1 1 27 27 ALA HB2 H 1 1.540 . . 1 . . . . A 27 ALA MB . 34085 1 220 . 1 1 27 27 ALA HB3 H 1 1.540 . . 1 . . . . A 27 ALA MB . 34085 1 221 . 1 1 27 27 ALA C C 13 180.416 . . 1 . . . . A 27 ALA C . 34085 1 222 . 1 1 27 27 ALA CA C 13 54.626 . . 1 . . . . A 27 ALA CA . 34085 1 223 . 1 1 27 27 ALA CB C 13 18.372 . . 1 . . . . A 27 ALA CB . 34085 1 224 . 1 1 27 27 ALA N N 15 118.880 . . 1 . . . . A 27 ALA N . 34085 1 225 . 1 1 28 28 LEU H H 1 8.134 . . 1 . . . . A 28 LEU H . 34085 1 226 . 1 1 28 28 LEU HA H 1 3.895 . . 1 . . . . A 28 LEU HA . 34085 1 227 . 1 1 28 28 LEU HB2 H 1 1.461 . . 2 . . . . A 28 LEU HB2 . 34085 1 228 . 1 1 28 28 LEU HB3 H 1 1.120 . . 2 . . . . A 28 LEU HB3 . 34085 1 229 . 1 1 28 28 LEU HG H 1 1.524 . . 1 . . . . A 28 LEU HG . 34085 1 230 . 1 1 28 28 LEU HD11 H 1 0.601 . . 2 . . . . A 28 LEU MD1 . 34085 1 231 . 1 1 28 28 LEU HD12 H 1 0.601 . . 2 . . . . A 28 LEU MD1 . 34085 1 232 . 1 1 28 28 LEU HD13 H 1 0.601 . . 2 . . . . A 28 LEU MD1 . 34085 1 233 . 1 1 28 28 LEU HD21 H 1 0.433 . . 2 . . . . A 28 LEU MD2 . 34085 1 234 . 1 1 28 28 LEU HD22 H 1 0.433 . . 2 . . . . A 28 LEU MD2 . 34085 1 235 . 1 1 28 28 LEU HD23 H 1 0.433 . . 2 . . . . A 28 LEU MD2 . 34085 1 236 . 1 1 28 28 LEU C C 13 178.382 . . 1 . . . . A 28 LEU C . 34085 1 237 . 1 1 28 28 LEU CA C 13 57.872 . . 1 . . . . A 28 LEU CA . 34085 1 238 . 1 1 28 28 LEU CB C 13 42.780 . . 1 . . . . A 28 LEU CB . 34085 1 239 . 1 1 28 28 LEU CG C 13 27.358 . . 1 . . . . A 28 LEU CG . 34085 1 240 . 1 1 28 28 LEU CD1 C 13 25.211 . . 2 . . . . A 28 LEU CD1 . 34085 1 241 . 1 1 28 28 LEU CD2 C 13 24.983 . . 2 . . . . A 28 LEU CD2 . 34085 1 242 . 1 1 28 28 LEU N N 15 119.625 . . 1 . . . . A 28 LEU N . 34085 1 243 . 1 1 29 29 PHE H H 1 7.923 . . 1 . . . . A 29 PHE H . 34085 1 244 . 1 1 29 29 PHE HA H 1 4.395 . . 1 . . . . A 29 PHE HA . 34085 1 245 . 1 1 29 29 PHE HB2 H 1 3.273 . . 2 . . . . A 29 PHE HB2 . 34085 1 246 . 1 1 29 29 PHE HB3 H 1 2.494 . . 2 . . . . A 29 PHE HB3 . 34085 1 247 . 1 1 29 29 PHE C C 13 174.225 . . 1 . . . . A 29 PHE C . 34085 1 248 . 1 1 29 29 PHE CA C 13 58.717 . . 1 . . . . A 29 PHE CA . 34085 1 249 . 1 1 29 29 PHE CB C 13 40.315 . . 1 . . . . A 29 PHE CB . 34085 1 250 . 1 1 29 29 PHE N N 15 113.301 . . 1 . . . . A 29 PHE N . 34085 1 251 . 1 1 30 30 ALA H H 1 7.838 . . 1 . . . . A 30 ALA H . 34085 1 252 . 1 1 30 30 ALA HA H 1 4.047 . . 1 . . . . A 30 ALA HA . 34085 1 253 . 1 1 30 30 ALA HB1 H 1 1.399 . . 1 . . . . A 30 ALA MB . 34085 1 254 . 1 1 30 30 ALA HB2 H 1 1.399 . . 1 . . . . A 30 ALA MB . 34085 1 255 . 1 1 30 30 ALA HB3 H 1 1.399 . . 1 . . . . A 30 ALA MB . 34085 1 256 . 1 1 30 30 ALA C C 13 176.118 . . 1 . . . . A 30 ALA C . 34085 1 257 . 1 1 30 30 ALA CA C 13 53.289 . . 1 . . . . A 30 ALA CA . 34085 1 258 . 1 1 30 30 ALA CB C 13 16.497 . . 1 . . . . A 30 ALA CB . 34085 1 259 . 1 1 30 30 ALA N N 15 123.233 . . 1 . . . . A 30 ALA N . 34085 1 260 . 1 1 31 31 LEU H H 1 8.026 . . 1 . . . . A 31 LEU H . 34085 1 261 . 1 1 31 31 LEU HA H 1 5.010 . . 1 . . . . A 31 LEU HA . 34085 1 262 . 1 1 31 31 LEU HB2 H 1 1.524 . . 2 . . . . A 31 LEU HB2 . 34085 1 263 . 1 1 31 31 LEU HB3 H 1 1.496 . . 2 . . . . A 31 LEU HB3 . 34085 1 264 . 1 1 31 31 LEU HG H 1 1.603 . . 1 . . . . A 31 LEU HG . 34085 1 265 . 1 1 31 31 LEU HD11 H 1 0.984 . . 2 . . . . A 31 LEU MD1 . 34085 1 266 . 1 1 31 31 LEU HD12 H 1 0.984 . . 2 . . . . A 31 LEU MD1 . 34085 1 267 . 1 1 31 31 LEU HD13 H 1 0.984 . . 2 . . . . A 31 LEU MD1 . 34085 1 268 . 1 1 31 31 LEU HD21 H 1 0.874 . . 2 . . . . A 31 LEU MD2 . 34085 1 269 . 1 1 31 31 LEU HD22 H 1 0.874 . . 2 . . . . A 31 LEU MD2 . 34085 1 270 . 1 1 31 31 LEU HD23 H 1 0.874 . . 2 . . . . A 31 LEU MD2 . 34085 1 271 . 1 1 31 31 LEU C C 13 176.453 . . 1 . . . . A 31 LEU C . 34085 1 272 . 1 1 31 31 LEU CA C 13 51.244 . . 1 . . . . A 31 LEU CA . 34085 1 273 . 1 1 31 31 LEU CB C 13 42.153 . . 1 . . . . A 31 LEU CB . 34085 1 274 . 1 1 31 31 LEU CG C 13 26.860 . . 1 . . . . A 31 LEU CG . 34085 1 275 . 1 1 31 31 LEU CD1 C 13 23.061 . . 2 . . . . A 31 LEU CD1 . 34085 1 276 . 1 1 31 31 LEU CD2 C 13 25.671 . . 2 . . . . A 31 LEU CD2 . 34085 1 277 . 1 1 31 31 LEU N N 15 118.050 . . 1 . . . . A 31 LEU N . 34085 1 278 . 1 1 32 32 PRO HA H 1 4.326 . . 1 . . . . A 32 PRO HA . 34085 1 279 . 1 1 32 32 PRO HB2 H 1 1.621 . . 2 . . . . A 32 PRO HB2 . 34085 1 280 . 1 1 32 32 PRO HB3 H 1 1.608 . . 2 . . . . A 32 PRO HB3 . 34085 1 281 . 1 1 32 32 PRO HG2 H 1 2.135 . . 2 . . . . A 32 PRO HG2 . 34085 1 282 . 1 1 32 32 PRO HG3 H 1 2.119 . . 2 . . . . A 32 PRO HG3 . 34085 1 283 . 1 1 32 32 PRO HD2 H 1 3.853 . . 2 . . . . A 32 PRO HD2 . 34085 1 284 . 1 1 32 32 PRO HD3 H 1 3.823 . . 2 . . . . A 32 PRO HD3 . 34085 1 285 . 1 1 32 32 PRO C C 13 176.120 . . 1 . . . . A 32 PRO C . 34085 1 286 . 1 1 32 32 PRO CA C 13 63.454 . . 1 . . . . A 32 PRO CA . 34085 1 287 . 1 1 32 32 PRO CB C 13 32.095 . . 1 . . . . A 32 PRO CB . 34085 1 288 . 1 1 32 32 PRO CG C 13 28.951 . . 1 . . . . A 32 PRO CG . 34085 1 289 . 1 1 32 32 PRO CD C 13 50.962 . . 1 . . . . A 32 PRO CD . 34085 1 290 . 1 1 33 33 ALA H H 1 7.112 . . 1 . . . . A 33 ALA H . 34085 1 291 . 1 1 33 33 ALA HA H 1 4.500 . . 1 . . . . A 33 ALA HA . 34085 1 292 . 1 1 33 33 ALA HB1 H 1 1.208 . . 1 . . . . A 33 ALA MB . 34085 1 293 . 1 1 33 33 ALA HB2 H 1 1.208 . . 1 . . . . A 33 ALA MB . 34085 1 294 . 1 1 33 33 ALA HB3 H 1 1.208 . . 1 . . . . A 33 ALA MB . 34085 1 295 . 1 1 33 33 ALA C C 13 175.773 . . 1 . . . . A 33 ALA C . 34085 1 296 . 1 1 33 33 ALA CA C 13 51.390 . . 1 . . . . A 33 ALA CA . 34085 1 297 . 1 1 33 33 ALA CB C 13 21.498 . . 1 . . . . A 33 ALA CB . 34085 1 298 . 1 1 33 33 ALA N N 15 117.162 . . 1 . . . . A 33 ALA N . 34085 1 299 . 1 1 34 34 VAL H H 1 8.252 . . 1 . . . . A 34 VAL H . 34085 1 300 . 1 1 34 34 VAL HA H 1 4.164 . . 1 . . . . A 34 VAL HA . 34085 1 301 . 1 1 34 34 VAL HB H 1 1.885 . . 1 . . . . A 34 VAL HB . 34085 1 302 . 1 1 34 34 VAL HG11 H 1 0.960 . . 2 . . . . A 34 VAL MG1 . 34085 1 303 . 1 1 34 34 VAL HG12 H 1 0.960 . . 2 . . . . A 34 VAL MG1 . 34085 1 304 . 1 1 34 34 VAL HG13 H 1 0.960 . . 2 . . . . A 34 VAL MG1 . 34085 1 305 . 1 1 34 34 VAL HG21 H 1 1.213 . . 2 . . . . A 34 VAL MG2 . 34085 1 306 . 1 1 34 34 VAL HG22 H 1 1.213 . . 2 . . . . A 34 VAL MG2 . 34085 1 307 . 1 1 34 34 VAL HG23 H 1 1.213 . . 2 . . . . A 34 VAL MG2 . 34085 1 308 . 1 1 34 34 VAL C C 13 175.431 . . 1 . . . . A 34 VAL C . 34085 1 309 . 1 1 34 34 VAL CA C 13 61.241 . . 1 . . . . A 34 VAL CA . 34085 1 310 . 1 1 34 34 VAL CB C 13 35.671 . . 1 . . . . A 34 VAL CB . 34085 1 311 . 1 1 34 34 VAL CG1 C 13 22.881 . . 2 . . . . A 34 VAL CG1 . 34085 1 312 . 1 1 34 34 VAL CG2 C 13 21.512 . . 2 . . . . A 34 VAL CG2 . 34085 1 313 . 1 1 34 34 VAL N N 15 122.003 . . 1 . . . . A 34 VAL N . 34085 1 314 . 1 1 35 35 GLY H H 1 9.442 . . 1 . . . . A 35 GLY H . 34085 1 315 . 1 1 35 35 GLY HA2 H 1 4.144 . . 2 . . . . A 35 GLY HA2 . 34085 1 316 . 1 1 35 35 GLY HA3 H 1 3.895 . . 2 . . . . A 35 GLY HA3 . 34085 1 317 . 1 1 35 35 GLY C C 13 175.944 . . 1 . . . . A 35 GLY C . 34085 1 318 . 1 1 35 35 GLY CA C 13 45.161 . . 1 . . . . A 35 GLY CA . 34085 1 319 . 1 1 35 35 GLY N N 15 117.106 . . 1 . . . . A 35 GLY N . 34085 1 320 . 1 1 36 36 ARG H H 1 8.563 . . 1 . . . . A 36 ARG H . 34085 1 321 . 1 1 36 36 ARG HA H 1 3.870 . . 1 . . . . A 36 ARG HA . 34085 1 322 . 1 1 36 36 ARG HB2 H 1 1.514 . . 2 . . . . A 36 ARG HB2 . 34085 1 323 . 1 1 36 36 ARG HB3 H 1 1.640 . . 2 . . . . A 36 ARG HB3 . 34085 1 324 . 1 1 36 36 ARG HG2 H 1 1.816 . . 2 . . . . A 36 ARG HG2 . 34085 1 325 . 1 1 36 36 ARG HG3 H 1 1.525 . . 2 . . . . A 36 ARG HG3 . 34085 1 326 . 1 1 36 36 ARG HD2 H 1 3.155 . . 2 . . . . A 36 ARG HD2 . 34085 1 327 . 1 1 36 36 ARG HD3 H 1 3.126 . . 2 . . . . A 36 ARG HD3 . 34085 1 328 . 1 1 36 36 ARG C C 13 173.666 . . 1 . . . . A 36 ARG C . 34085 1 329 . 1 1 36 36 ARG CA C 13 58.076 . . 1 . . . . A 36 ARG CA . 34085 1 330 . 1 1 36 36 ARG CB C 13 32.070 . . 1 . . . . A 36 ARG CB . 34085 1 331 . 1 1 36 36 ARG CG C 13 27.107 . . 1 . . . . A 36 ARG CG . 34085 1 332 . 1 1 36 36 ARG CD C 13 43.508 . . 1 . . . . A 36 ARG CD . 34085 1 333 . 1 1 36 36 ARG N N 15 121.740 . . 1 . . . . A 36 ARG N . 34085 1 334 . 1 1 37 37 HIS H H 1 8.277 . . 1 . . . . A 37 HIS H . 34085 1 335 . 1 1 37 37 HIS HA H 1 5.122 . . 1 . . . . A 37 HIS HA . 34085 1 336 . 1 1 37 37 HIS HB2 H 1 3.336 . . 2 . . . . A 37 HIS HB2 . 34085 1 337 . 1 1 37 37 HIS HB3 H 1 2.834 . . 2 . . . . A 37 HIS HB3 . 34085 1 338 . 1 1 37 37 HIS C C 13 176.278 . . 1 . . . . A 37 HIS C . 34085 1 339 . 1 1 37 37 HIS CA C 13 54.787 . . 1 . . . . A 37 HIS CA . 34085 1 340 . 1 1 37 37 HIS CB C 13 31.145 . . 1 . . . . A 37 HIS CB . 34085 1 341 . 1 1 37 37 HIS N N 15 113.397 . . 1 . . . . A 37 HIS N . 34085 1 342 . 1 1 38 38 GLN H H 1 7.400 . . 1 . . . . A 38 GLN H . 34085 1 343 . 1 1 38 38 GLN HA H 1 4.282 . . 1 . . . . A 38 GLN HA . 34085 1 344 . 1 1 38 38 GLN HB2 H 1 2.273 . . 2 . . . . A 38 GLN HB2 . 34085 1 345 . 1 1 38 38 GLN HB3 H 1 2.248 . . 2 . . . . A 38 GLN HB3 . 34085 1 346 . 1 1 38 38 GLN HG2 H 1 2.275 . . 2 . . . . A 38 GLN HG2 . 34085 1 347 . 1 1 38 38 GLN HG3 H 1 2.144 . . 2 . . . . A 38 GLN HG3 . 34085 1 348 . 1 1 38 38 GLN C C 13 174.856 . . 1 . . . . A 38 GLN C . 34085 1 349 . 1 1 38 38 GLN CA C 13 57.420 . . 1 . . . . A 38 GLN CA . 34085 1 350 . 1 1 38 38 GLN CB C 13 31.765 . . 1 . . . . A 38 GLN CB . 34085 1 351 . 1 1 38 38 GLN CG C 13 36.455 . . 1 . . . . A 38 GLN CG . 34085 1 352 . 1 1 38 38 GLN N N 15 120.086 . . 1 . . . . A 38 GLN N . 34085 1 353 . 1 1 39 39 ASP H H 1 8.745 . . 1 . . . . A 39 ASP H . 34085 1 354 . 1 1 39 39 ASP HA H 1 4.877 . . 1 . . . . A 39 ASP HA . 34085 1 355 . 1 1 39 39 ASP HB2 H 1 2.836 . . 2 . . . . A 39 ASP HB2 . 34085 1 356 . 1 1 39 39 ASP HB3 H 1 2.551 . . 2 . . . . A 39 ASP HB3 . 34085 1 357 . 1 1 39 39 ASP C C 13 175.763 . . 1 . . . . A 39 ASP C . 34085 1 358 . 1 1 39 39 ASP CA C 13 54.409 . . 1 . . . . A 39 ASP CA . 34085 1 359 . 1 1 39 39 ASP CB C 13 44.501 . . 1 . . . . A 39 ASP CB . 34085 1 360 . 1 1 39 39 ASP N N 15 126.206 . . 1 . . . . A 39 ASP N . 34085 1 361 . 1 1 40 40 PHE H H 1 9.733 . . 1 . . . . A 40 PHE H . 34085 1 362 . 1 1 40 40 PHE HA H 1 4.897 . . 1 . . . . A 40 PHE HA . 34085 1 363 . 1 1 40 40 PHE HB2 H 1 2.824 . . 2 . . . . A 40 PHE HB2 . 34085 1 364 . 1 1 40 40 PHE HB3 H 1 2.887 . . 2 . . . . A 40 PHE HB3 . 34085 1 365 . 1 1 40 40 PHE C C 13 175.427 . . 1 . . . . A 40 PHE C . 34085 1 366 . 1 1 40 40 PHE CA C 13 61.873 . . 1 . . . . A 40 PHE CA . 34085 1 367 . 1 1 40 40 PHE CB C 13 41.895 . . 1 . . . . A 40 PHE CB . 34085 1 368 . 1 1 40 40 PHE N N 15 125.940 . . 1 . . . . A 40 PHE N . 34085 1 369 . 1 1 41 41 PHE H H 1 8.290 . . 1 . . . . A 41 PHE H . 34085 1 370 . 1 1 41 41 PHE HA H 1 4.181 . . 1 . . . . A 41 PHE HA . 34085 1 371 . 1 1 41 41 PHE HB2 H 1 3.264 . . 2 . . . . A 41 PHE HB2 . 34085 1 372 . 1 1 41 41 PHE HB3 H 1 2.884 . . 2 . . . . A 41 PHE HB3 . 34085 1 373 . 1 1 41 41 PHE C C 13 180.490 . . 1 . . . . A 41 PHE C . 34085 1 374 . 1 1 41 41 PHE CA C 13 60.320 . . 1 . . . . A 41 PHE CA . 34085 1 375 . 1 1 41 41 PHE CB C 13 39.842 . . 1 . . . . A 41 PHE CB . 34085 1 376 . 1 1 41 41 PHE N N 15 116.781 . . 1 . . . . A 41 PHE N . 34085 1 377 . 1 1 42 42 ALA H H 1 9.196 . . 1 . . . . A 42 ALA H . 34085 1 378 . 1 1 42 42 ALA HA H 1 4.178 . . 1 . . . . A 42 ALA HA . 34085 1 379 . 1 1 42 42 ALA HB1 H 1 1.596 . . 1 . . . . A 42 ALA MB . 34085 1 380 . 1 1 42 42 ALA HB2 H 1 1.596 . . 1 . . . . A 42 ALA MB . 34085 1 381 . 1 1 42 42 ALA HB3 H 1 1.596 . . 1 . . . . A 42 ALA MB . 34085 1 382 . 1 1 42 42 ALA C C 13 180.593 . . 1 . . . . A 42 ALA C . 34085 1 383 . 1 1 42 42 ALA CA C 13 55.442 . . 1 . . . . A 42 ALA CA . 34085 1 384 . 1 1 42 42 ALA CB C 13 18.328 . . 1 . . . . A 42 ALA CB . 34085 1 385 . 1 1 42 42 ALA N N 15 129.022 . . 1 . . . . A 42 ALA N . 34085 1 386 . 1 1 43 43 LEU H H 1 7.769 . . 1 . . . . A 43 LEU H . 34085 1 387 . 1 1 43 43 LEU HA H 1 3.792 . . 1 . . . . A 43 LEU HA . 34085 1 388 . 1 1 43 43 LEU HB2 H 1 1.476 . . 2 . . . . A 43 LEU HB2 . 34085 1 389 . 1 1 43 43 LEU HB3 H 1 1.585 . . 2 . . . . A 43 LEU HB3 . 34085 1 390 . 1 1 43 43 LEU HG H 1 1.459 . . 1 . . . . A 43 LEU HG . 34085 1 391 . 1 1 43 43 LEU HD11 H 1 0.943 . . 2 . . . . A 43 LEU MD1 . 34085 1 392 . 1 1 43 43 LEU HD12 H 1 0.943 . . 2 . . . . A 43 LEU MD1 . 34085 1 393 . 1 1 43 43 LEU HD13 H 1 0.943 . . 2 . . . . A 43 LEU MD1 . 34085 1 394 . 1 1 43 43 LEU HD21 H 1 0.498 . . 2 . . . . A 43 LEU MD2 . 34085 1 395 . 1 1 43 43 LEU HD22 H 1 0.498 . . 2 . . . . A 43 LEU MD2 . 34085 1 396 . 1 1 43 43 LEU HD23 H 1 0.498 . . 2 . . . . A 43 LEU MD2 . 34085 1 397 . 1 1 43 43 LEU C C 13 175.948 . . 1 . . . . A 43 LEU C . 34085 1 398 . 1 1 43 43 LEU CA C 13 55.831 . . 1 . . . . A 43 LEU CA . 34085 1 399 . 1 1 43 43 LEU CB C 13 42.549 . . 1 . . . . A 43 LEU CB . 34085 1 400 . 1 1 43 43 LEU CG C 13 27.415 . . 1 . . . . A 43 LEU CG . 34085 1 401 . 1 1 43 43 LEU CD1 C 13 26.164 . . 2 . . . . A 43 LEU CD1 . 34085 1 402 . 1 1 43 43 LEU CD2 C 13 20.974 . . 2 . . . . A 43 LEU CD2 . 34085 1 403 . 1 1 43 43 LEU N N 15 116.960 . . 1 . . . . A 43 LEU N . 34085 1 404 . 1 1 44 44 GLY H H 1 7.527 . . 1 . . . . A 44 GLY H . 34085 1 405 . 1 1 44 44 GLY HA2 H 1 4.341 . . 2 . . . . A 44 GLY HA2 . 34085 1 406 . 1 1 44 44 GLY HA3 H 1 3.641 . . 2 . . . . A 44 GLY HA3 . 34085 1 407 . 1 1 44 44 GLY C C 13 175.077 . . 1 . . . . A 44 GLY C . 34085 1 408 . 1 1 44 44 GLY CA C 13 44.285 . . 1 . . . . A 44 GLY CA . 34085 1 409 . 1 1 44 44 GLY N N 15 103.697 . . 1 . . . . A 44 GLY N . 34085 1 410 . 1 1 45 45 GLY H H 1 8.188 . . 1 . . . . A 45 GLY H . 34085 1 411 . 1 1 45 45 GLY HA2 H 1 3.582 . . 2 . . . . A 45 GLY HA2 . 34085 1 412 . 1 1 45 45 GLY HA3 H 1 3.563 . . 2 . . . . A 45 GLY HA3 . 34085 1 413 . 1 1 45 45 GLY C C 13 169.934 . . 1 . . . . A 45 GLY C . 34085 1 414 . 1 1 45 45 GLY CA C 13 46.461 . . 1 . . . . A 45 GLY CA . 34085 1 415 . 1 1 45 45 GLY N N 15 109.603 . . 1 . . . . A 45 GLY N . 34085 1 416 . 1 1 46 46 ASP H H 1 6.995 . . 1 . . . . A 46 ASP H . 34085 1 417 . 1 1 46 46 ASP HA H 1 5.092 . . 1 . . . . A 46 ASP HA . 34085 1 418 . 1 1 46 46 ASP HB2 H 1 2.865 . . 2 . . . . A 46 ASP HB2 . 34085 1 419 . 1 1 46 46 ASP HB3 H 1 3.523 . . 2 . . . . A 46 ASP HB3 . 34085 1 420 . 1 1 46 46 ASP C C 13 176.758 . . 1 . . . . A 46 ASP C . 34085 1 421 . 1 1 46 46 ASP CA C 13 52.462 . . 1 . . . . A 46 ASP CA . 34085 1 422 . 1 1 46 46 ASP CB C 13 42.617 . . 1 . . . . A 46 ASP CB . 34085 1 423 . 1 1 46 46 ASP N N 15 118.086 . . 1 . . . . A 46 ASP N . 34085 1 424 . 1 1 47 47 SER H H 1 9.127 . . 1 . . . . A 47 SER H . 34085 1 425 . 1 1 47 47 SER HA H 1 4.899 . . 1 . . . . A 47 SER HA . 34085 1 426 . 1 1 47 47 SER HB2 H 1 4.193 . . 2 . . . . A 47 SER HB2 . 34085 1 427 . 1 1 47 47 SER HB3 H 1 4.112 . . 2 . . . . A 47 SER HB3 . 34085 1 428 . 1 1 47 47 SER C C 13 175.453 . . 1 . . . . A 47 SER C . 34085 1 429 . 1 1 47 47 SER CA C 13 62.944 . . 1 . . . . A 47 SER CA . 34085 1 430 . 1 1 47 47 SER CB C 13 62.415 . . 1 . . . . A 47 SER CB . 34085 1 431 . 1 1 47 47 SER N N 15 115.321 . . 1 . . . . A 47 SER N . 34085 1 432 . 1 1 48 48 GLN H H 1 7.960 . . 1 . . . . A 48 GLN H . 34085 1 433 . 1 1 48 48 GLN HA H 1 4.070 . . 1 . . . . A 48 GLN HA . 34085 1 434 . 1 1 48 48 GLN HB2 H 1 2.132 . . 2 . . . . A 48 GLN HB2 . 34085 1 435 . 1 1 48 48 GLN HB3 H 1 2.236 . . 2 . . . . A 48 GLN HB3 . 34085 1 436 . 1 1 48 48 GLN HG2 H 1 2.459 . . 2 . . . . A 48 GLN HG2 . 34085 1 437 . 1 1 48 48 GLN HG3 H 1 2.384 . . 2 . . . . A 48 GLN HG3 . 34085 1 438 . 1 1 48 48 GLN C C 13 179.498 . . 1 . . . . A 48 GLN C . 34085 1 439 . 1 1 48 48 GLN CA C 13 59.510 . . 1 . . . . A 48 GLN CA . 34085 1 440 . 1 1 48 48 GLN CB C 13 28.433 . . 1 . . . . A 48 GLN CB . 34085 1 441 . 1 1 48 48 GLN CG C 13 34.589 . . 1 . . . . A 48 GLN CG . 34085 1 442 . 1 1 48 48 GLN N N 15 120.912 . . 1 . . . . A 48 GLN N . 34085 1 443 . 1 1 49 49 LEU H H 1 9.064 . . 1 . . . . A 49 LEU H . 34085 1 444 . 1 1 49 49 LEU HA H 1 4.023 . . 1 . . . . A 49 LEU HA . 34085 1 445 . 1 1 49 49 LEU HB2 H 1 1.708 . . 2 . . . . A 49 LEU HB2 . 34085 1 446 . 1 1 49 49 LEU HB3 H 1 1.487 . . 2 . . . . A 49 LEU HB3 . 34085 1 447 . 1 1 49 49 LEU HG H 1 1.570 . . 1 . . . . A 49 LEU HG . 34085 1 448 . 1 1 49 49 LEU HD11 H 1 0.778 . . 2 . . . . A 49 LEU MD1 . 34085 1 449 . 1 1 49 49 LEU HD12 H 1 0.778 . . 2 . . . . A 49 LEU MD1 . 34085 1 450 . 1 1 49 49 LEU HD13 H 1 0.778 . . 2 . . . . A 49 LEU MD1 . 34085 1 451 . 1 1 49 49 LEU HD21 H 1 0.269 . . 2 . . . . A 49 LEU MD2 . 34085 1 452 . 1 1 49 49 LEU HD22 H 1 0.269 . . 2 . . . . A 49 LEU MD2 . 34085 1 453 . 1 1 49 49 LEU HD23 H 1 0.269 . . 2 . . . . A 49 LEU MD2 . 34085 1 454 . 1 1 49 49 LEU C C 13 179.724 . . 1 . . . . A 49 LEU C . 34085 1 455 . 1 1 49 49 LEU CA C 13 58.323 . . 1 . . . . A 49 LEU CA . 34085 1 456 . 1 1 49 49 LEU CB C 13 42.680 . . 1 . . . . A 49 LEU CB . 34085 1 457 . 1 1 49 49 LEU CG C 13 27.163 . . 1 . . . . A 49 LEU CG . 34085 1 458 . 1 1 49 49 LEU CD1 C 13 24.620 . . 2 . . . . A 49 LEU CD1 . 34085 1 459 . 1 1 49 49 LEU CD2 C 13 25.467 . . 2 . . . . A 49 LEU CD2 . 34085 1 460 . 1 1 49 49 LEU N N 15 123.543 . . 1 . . . . A 49 LEU N . 34085 1 461 . 1 1 50 50 GLY H H 1 9.053 . . 1 . . . . A 50 GLY H . 34085 1 462 . 1 1 50 50 GLY HA2 H 1 3.177 . . 2 . . . . A 50 GLY HA2 . 34085 1 463 . 1 1 50 50 GLY HA3 H 1 3.143 . . 2 . . . . A 50 GLY HA3 . 34085 1 464 . 1 1 50 50 GLY C C 13 174.746 . . 1 . . . . A 50 GLY C . 34085 1 465 . 1 1 50 50 GLY CA C 13 48.319 . . 1 . . . . A 50 GLY CA . 34085 1 466 . 1 1 50 50 GLY N N 15 107.893 . . 1 . . . . A 50 GLY N . 34085 1 467 . 1 1 51 51 LEU H H 1 8.480 . . 1 . . . . A 51 LEU H . 34085 1 468 . 1 1 51 51 LEU HA H 1 3.709 . . 1 . . . . A 51 LEU HA . 34085 1 469 . 1 1 51 51 LEU HB2 H 1 1.647 . . 2 . . . . A 51 LEU HB2 . 34085 1 470 . 1 1 51 51 LEU HB3 H 1 1.647 . . 2 . . . . A 51 LEU HB3 . 34085 1 471 . 1 1 51 51 LEU HG H 1 1.567 . . 1 . . . . A 51 LEU HG . 34085 1 472 . 1 1 51 51 LEU HD11 H 1 0.896 . . 2 . . . . A 51 LEU MD1 . 34085 1 473 . 1 1 51 51 LEU HD12 H 1 0.896 . . 2 . . . . A 51 LEU MD1 . 34085 1 474 . 1 1 51 51 LEU HD13 H 1 0.896 . . 2 . . . . A 51 LEU MD1 . 34085 1 475 . 1 1 51 51 LEU HD21 H 1 0.844 . . 2 . . . . A 51 LEU MD2 . 34085 1 476 . 1 1 51 51 LEU HD22 H 1 0.844 . . 2 . . . . A 51 LEU MD2 . 34085 1 477 . 1 1 51 51 LEU HD23 H 1 0.844 . . 2 . . . . A 51 LEU MD2 . 34085 1 478 . 1 1 51 51 LEU C C 13 178.700 . . 1 . . . . A 51 LEU C . 34085 1 479 . 1 1 51 51 LEU CA C 13 60.197 . . 1 . . . . A 51 LEU CA . 34085 1 480 . 1 1 51 51 LEU CB C 13 42.606 . . 1 . . . . A 51 LEU CB . 34085 1 481 . 1 1 51 51 LEU CG C 13 27.366 . . 1 . . . . A 51 LEU CG . 34085 1 482 . 1 1 51 51 LEU CD1 C 13 27.211 . . 2 . . . . A 51 LEU CD1 . 34085 1 483 . 1 1 51 51 LEU CD2 C 13 26.500 . . 2 . . . . A 51 LEU CD2 . 34085 1 484 . 1 1 51 51 LEU N N 15 119.160 . . 1 . . . . A 51 LEU N . 34085 1 485 . 1 1 52 52 ARG H H 1 8.698 . . 1 . . . . A 52 ARG H . 34085 1 486 . 1 1 52 52 ARG HA H 1 4.203 . . 1 . . . . A 52 ARG HA . 34085 1 487 . 1 1 52 52 ARG HB2 H 1 1.953 . . 2 . . . . A 52 ARG HB2 . 34085 1 488 . 1 1 52 52 ARG HB3 H 1 1.924 . . 2 . . . . A 52 ARG HB3 . 34085 1 489 . 1 1 52 52 ARG HG2 H 1 1.604 . . 2 . . . . A 52 ARG HG2 . 34085 1 490 . 1 1 52 52 ARG HG3 H 1 1.563 . . 2 . . . . A 52 ARG HG3 . 34085 1 491 . 1 1 52 52 ARG HD2 H 1 3.154 . . 2 . . . . A 52 ARG HD2 . 34085 1 492 . 1 1 52 52 ARG HD3 H 1 3.113 . . 2 . . . . A 52 ARG HD3 . 34085 1 493 . 1 1 52 52 ARG C C 13 177.674 . . 1 . . . . A 52 ARG C . 34085 1 494 . 1 1 52 52 ARG CA C 13 56.894 . . 1 . . . . A 52 ARG CA . 34085 1 495 . 1 1 52 52 ARG CB C 13 30.279 . . 1 . . . . A 52 ARG CB . 34085 1 496 . 1 1 52 52 ARG CG C 13 27.250 . . 1 . . . . A 52 ARG CG . 34085 1 497 . 1 1 52 52 ARG CD C 13 43.378 . . 1 . . . . A 52 ARG CD . 34085 1 498 . 1 1 52 52 ARG N N 15 115.649 . . 1 . . . . A 52 ARG N . 34085 1 499 . 1 1 54 54 LEU HA H 1 3.917 . . 1 . . . . A 54 LEU HA . 34085 1 500 . 1 1 54 54 LEU HB2 H 1 1.504 . . 2 . . . . A 54 LEU HB2 . 34085 1 501 . 1 1 54 54 LEU HB3 H 1 1.527 . . 2 . . . . A 54 LEU HB3 . 34085 1 502 . 1 1 54 54 LEU HG H 1 1.107 . . 1 . . . . A 54 LEU HG . 34085 1 503 . 1 1 54 54 LEU HD11 H 1 0.853 . . 2 . . . . A 54 LEU MD1 . 34085 1 504 . 1 1 54 54 LEU HD12 H 1 0.853 . . 2 . . . . A 54 LEU MD1 . 34085 1 505 . 1 1 54 54 LEU HD13 H 1 0.853 . . 2 . . . . A 54 LEU MD1 . 34085 1 506 . 1 1 54 54 LEU HD21 H 1 0.786 . . 2 . . . . A 54 LEU MD2 . 34085 1 507 . 1 1 54 54 LEU HD22 H 1 0.786 . . 2 . . . . A 54 LEU MD2 . 34085 1 508 . 1 1 54 54 LEU HD23 H 1 0.786 . . 2 . . . . A 54 LEU MD2 . 34085 1 509 . 1 1 54 54 LEU C C 13 176.974 . . 1 . . . . A 54 LEU C . 34085 1 510 . 1 1 54 54 LEU CA C 13 58.552 . . 1 . . . . A 54 LEU CA . 34085 1 511 . 1 1 54 54 LEU CB C 13 42.132 . . 1 . . . . A 54 LEU CB . 34085 1 512 . 1 1 54 54 LEU CG C 13 27.287 . . 1 . . . . A 54 LEU CG . 34085 1 513 . 1 1 54 54 LEU CD1 C 13 24.850 . . 2 . . . . A 54 LEU CD1 . 34085 1 514 . 1 1 54 54 LEU CD2 C 13 24.170 . . 2 . . . . A 54 LEU CD2 . 34085 1 515 . 1 1 55 55 ALA H H 1 7.380 . . 1 . . . . A 55 ALA H . 34085 1 516 . 1 1 55 55 ALA HA H 1 4.251 . . 1 . . . . A 55 ALA HA . 34085 1 517 . 1 1 55 55 ALA HB1 H 1 1.551 . . 1 . . . . A 55 ALA MB . 34085 1 518 . 1 1 55 55 ALA HB2 H 1 1.551 . . 1 . . . . A 55 ALA MB . 34085 1 519 . 1 1 55 55 ALA HB3 H 1 1.551 . . 1 . . . . A 55 ALA MB . 34085 1 520 . 1 1 55 55 ALA C C 13 175.776 . . 1 . . . . A 55 ALA C . 34085 1 521 . 1 1 55 55 ALA CA C 13 57.760 . . 1 . . . . A 55 ALA CA . 34085 1 522 . 1 1 55 55 ALA CB C 13 18.166 . . 1 . . . . A 55 ALA CB . 34085 1 523 . 1 1 55 55 ALA N N 15 118.862 . . 1 . . . . A 55 ALA N . 34085 1 524 . 1 1 56 56 GLN H H 1 8.007 . . 1 . . . . A 56 GLN H . 34085 1 525 . 1 1 56 56 GLN HA H 1 4.087 . . 1 . . . . A 56 GLN HA . 34085 1 526 . 1 1 56 56 GLN HB2 H 1 1.933 . . 2 . . . . A 56 GLN HB2 . 34085 1 527 . 1 1 56 56 GLN HB3 H 1 1.691 . . 2 . . . . A 56 GLN HB3 . 34085 1 528 . 1 1 56 56 GLN HG2 H 1 2.384 . . 2 . . . . A 56 GLN HG2 . 34085 1 529 . 1 1 56 56 GLN HG3 H 1 2.366 . . 2 . . . . A 56 GLN HG3 . 34085 1 530 . 1 1 56 56 GLN C C 13 179.560 . . 1 . . . . A 56 GLN C . 34085 1 531 . 1 1 56 56 GLN CA C 13 60.209 . . 1 . . . . A 56 GLN CA . 34085 1 532 . 1 1 56 56 GLN CB C 13 29.540 . . 1 . . . . A 56 GLN CB . 34085 1 533 . 1 1 56 56 GLN CG C 13 34.590 . . 1 . . . . A 56 GLN CG . 34085 1 534 . 1 1 56 56 GLN N N 15 119.738 . . 1 . . . . A 56 GLN N . 34085 1 535 . 1 1 57 57 LEU H H 1 9.068 . . 1 . . . . A 57 LEU H . 34085 1 536 . 1 1 57 57 LEU HA H 1 4.074 . . 1 . . . . A 57 LEU HA . 34085 1 537 . 1 1 57 57 LEU HB2 H 1 1.929 . . 2 . . . . A 57 LEU HB2 . 34085 1 538 . 1 1 57 57 LEU HB3 H 1 1.542 . . 2 . . . . A 57 LEU HB3 . 34085 1 539 . 1 1 57 57 LEU HG H 1 1.596 . . 1 . . . . A 57 LEU HG . 34085 1 540 . 1 1 57 57 LEU HD11 H 1 0.773 . . 2 . . . . A 57 LEU MD1 . 34085 1 541 . 1 1 57 57 LEU HD12 H 1 0.773 . . 2 . . . . A 57 LEU MD1 . 34085 1 542 . 1 1 57 57 LEU HD13 H 1 0.773 . . 2 . . . . A 57 LEU MD1 . 34085 1 543 . 1 1 57 57 LEU HD21 H 1 0.273 . . 2 . . . . A 57 LEU MD2 . 34085 1 544 . 1 1 57 57 LEU HD22 H 1 0.273 . . 2 . . . . A 57 LEU MD2 . 34085 1 545 . 1 1 57 57 LEU HD23 H 1 0.273 . . 2 . . . . A 57 LEU MD2 . 34085 1 546 . 1 1 57 57 LEU C C 13 180.421 . . 1 . . . . A 57 LEU C . 34085 1 547 . 1 1 57 57 LEU CA C 13 58.793 . . 1 . . . . A 57 LEU CA . 34085 1 548 . 1 1 57 57 LEU CB C 13 42.534 . . 1 . . . . A 57 LEU CB . 34085 1 549 . 1 1 57 57 LEU CG C 13 27.009 . . 1 . . . . A 57 LEU CG . 34085 1 550 . 1 1 57 57 LEU CD1 C 13 24.716 . . 2 . . . . A 57 LEU CD1 . 34085 1 551 . 1 1 57 57 LEU CD2 C 13 25.244 . . 2 . . . . A 57 LEU CD2 . 34085 1 552 . 1 1 57 57 LEU N N 15 123.409 . . 1 . . . . A 57 LEU N . 34085 1 553 . 1 1 58 58 ARG H H 1 7.820 . . 1 . . . . A 58 ARG H . 34085 1 554 . 1 1 58 58 ARG HA H 1 4.085 . . 1 . . . . A 58 ARG HA . 34085 1 555 . 1 1 58 58 ARG HB2 H 1 1.901 . . 2 . . . . A 58 ARG HB2 . 34085 1 556 . 1 1 58 58 ARG HB3 H 1 1.963 . . 2 . . . . A 58 ARG HB3 . 34085 1 557 . 1 1 58 58 ARG HG2 H 1 0.947 . . 2 . . . . A 58 ARG HG2 . 34085 1 558 . 1 1 58 58 ARG HG3 H 1 1.551 . . 2 . . . . A 58 ARG HG3 . 34085 1 559 . 1 1 58 58 ARG HD2 H 1 3.133 . . 2 . . . . A 58 ARG HD2 . 34085 1 560 . 1 1 58 58 ARG HD3 H 1 3.143 . . 2 . . . . A 58 ARG HD3 . 34085 1 561 . 1 1 58 58 ARG C C 13 178.524 . . 1 . . . . A 58 ARG C . 34085 1 562 . 1 1 58 58 ARG CA C 13 59.162 . . 1 . . . . A 58 ARG CA . 34085 1 563 . 1 1 58 58 ARG CB C 13 30.248 . . 1 . . . . A 58 ARG CB . 34085 1 564 . 1 1 58 58 ARG CG C 13 27.091 . . 1 . . . . A 58 ARG CG . 34085 1 565 . 1 1 58 58 ARG CD C 13 43.601 . . 1 . . . . A 58 ARG CD . 34085 1 566 . 1 1 58 58 ARG N N 15 120.974 . . 1 . . . . A 58 ARG N . 34085 1 567 . 1 1 59 59 GLU H H 1 8.570 . . 1 . . . . A 59 GLU H . 34085 1 568 . 1 1 59 59 GLU HA H 1 3.867 . . 1 . . . . A 59 GLU HA . 34085 1 569 . 1 1 59 59 GLU HB2 H 1 1.846 . . 2 . . . . A 59 GLU HB2 . 34085 1 570 . 1 1 59 59 GLU HB3 H 1 1.943 . . 2 . . . . A 59 GLU HB3 . 34085 1 571 . 1 1 59 59 GLU HG2 H 1 2.229 . . 2 . . . . A 59 GLU HG2 . 34085 1 572 . 1 1 59 59 GLU HG3 H 1 2.241 . . 2 . . . . A 59 GLU HG3 . 34085 1 573 . 1 1 59 59 GLU C C 13 178.195 . . 1 . . . . A 59 GLU C . 34085 1 574 . 1 1 59 59 GLU CA C 13 59.022 . . 1 . . . . A 59 GLU CA . 34085 1 575 . 1 1 59 59 GLU CB C 13 30.848 . . 1 . . . . A 59 GLU CB . 34085 1 576 . 1 1 59 59 GLU CG C 13 36.080 . . 1 . . . . A 59 GLU CG . 34085 1 577 . 1 1 59 59 GLU N N 15 121.236 . . 1 . . . . A 59 GLU N . 34085 1 578 . 1 1 60 60 ARG H H 1 8.341 . . 1 . . . . A 60 ARG H . 34085 1 579 . 1 1 60 60 ARG HA H 1 4.052 . . 1 . . . . A 60 ARG HA . 34085 1 580 . 1 1 60 60 ARG HB2 H 1 2.045 . . 2 . . . . A 60 ARG HB2 . 34085 1 581 . 1 1 60 60 ARG HB3 H 1 2.110 . . 2 . . . . A 60 ARG HB3 . 34085 1 582 . 1 1 60 60 ARG HG2 H 1 1.563 . . 2 . . . . A 60 ARG HG2 . 34085 1 583 . 1 1 60 60 ARG HG3 H 1 1.602 . . 2 . . . . A 60 ARG HG3 . 34085 1 584 . 1 1 60 60 ARG HD2 H 1 3.002 . . 2 . . . . A 60 ARG HD2 . 34085 1 585 . 1 1 60 60 ARG HD3 H 1 3.018 . . 2 . . . . A 60 ARG HD3 . 34085 1 586 . 1 1 60 60 ARG C C 13 177.660 . . 1 . . . . A 60 ARG C . 34085 1 587 . 1 1 60 60 ARG CA C 13 58.292 . . 1 . . . . A 60 ARG CA . 34085 1 588 . 1 1 60 60 ARG CB C 13 29.978 . . 1 . . . . A 60 ARG CB . 34085 1 589 . 1 1 60 60 ARG CG C 13 27.250 . . 1 . . . . A 60 ARG CG . 34085 1 590 . 1 1 60 60 ARG CD C 13 41.562 . . 1 . . . . A 60 ARG CD . 34085 1 591 . 1 1 60 60 ARG N N 15 114.593 . . 1 . . . . A 60 ARG N . 34085 1 592 . 1 1 61 61 HIS H H 1 7.792 . . 1 . . . . A 61 HIS H . 34085 1 593 . 1 1 61 61 HIS HA H 1 4.898 . . 1 . . . . A 61 HIS HA . 34085 1 594 . 1 1 61 61 HIS HB2 H 1 3.200 . . 2 . . . . A 61 HIS HB2 . 34085 1 595 . 1 1 61 61 HIS HB3 H 1 2.893 . . 2 . . . . A 61 HIS HB3 . 34085 1 596 . 1 1 61 61 HIS C C 13 175.962 . . 1 . . . . A 61 HIS C . 34085 1 597 . 1 1 61 61 HIS CA C 13 55.997 . . 1 . . . . A 61 HIS CA . 34085 1 598 . 1 1 61 61 HIS CB C 13 31.490 . . 1 . . . . A 61 HIS CB . 34085 1 599 . 1 1 61 61 HIS N N 15 112.431 . . 1 . . . . A 61 HIS N . 34085 1 600 . 1 1 62 62 GLY H H 1 7.984 . . 1 . . . . A 62 GLY H . 34085 1 601 . 1 1 62 62 GLY HA2 H 1 4.057 . . 2 . . . . A 62 GLY HA2 . 34085 1 602 . 1 1 62 62 GLY HA3 H 1 3.888 . . 2 . . . . A 62 GLY HA3 . 34085 1 603 . 1 1 62 62 GLY C C 13 173.542 . . 1 . . . . A 62 GLY C . 34085 1 604 . 1 1 62 62 GLY CA C 13 47.099 . . 1 . . . . A 62 GLY CA . 34085 1 605 . 1 1 62 62 GLY N N 15 109.208 . . 1 . . . . A 62 GLY N . 34085 1 606 . 1 1 63 63 VAL H H 1 6.647 . . 1 . . . . A 63 VAL H . 34085 1 607 . 1 1 63 63 VAL HA H 1 4.059 . . 1 . . . . A 63 VAL HA . 34085 1 608 . 1 1 63 63 VAL HB H 1 1.680 . . 1 . . . . A 63 VAL HB . 34085 1 609 . 1 1 63 63 VAL HG11 H 1 0.825 . . 2 . . . . A 63 VAL MG1 . 34085 1 610 . 1 1 63 63 VAL HG12 H 1 0.825 . . 2 . . . . A 63 VAL MG1 . 34085 1 611 . 1 1 63 63 VAL HG13 H 1 0.825 . . 2 . . . . A 63 VAL MG1 . 34085 1 612 . 1 1 63 63 VAL HG21 H 1 0.856 . . 2 . . . . A 63 VAL MG2 . 34085 1 613 . 1 1 63 63 VAL HG22 H 1 0.856 . . 2 . . . . A 63 VAL MG2 . 34085 1 614 . 1 1 63 63 VAL HG23 H 1 0.856 . . 2 . . . . A 63 VAL MG2 . 34085 1 615 . 1 1 63 63 VAL C C 13 173.570 . . 1 . . . . A 63 VAL C . 34085 1 616 . 1 1 63 63 VAL CA C 13 61.476 . . 1 . . . . A 63 VAL CA . 34085 1 617 . 1 1 63 63 VAL CB C 13 33.774 . . 1 . . . . A 63 VAL CB . 34085 1 618 . 1 1 63 63 VAL CG1 C 13 21.115 . . 2 . . . . A 63 VAL CG1 . 34085 1 619 . 1 1 63 63 VAL CG2 C 13 20.868 . . 2 . . . . A 63 VAL CG2 . 34085 1 620 . 1 1 63 63 VAL N N 15 118.368 . . 1 . . . . A 63 VAL N . 34085 1 621 . 1 1 64 64 ASP H H 1 8.928 . . 1 . . . . A 64 ASP H . 34085 1 622 . 1 1 64 64 ASP HA H 1 4.698 . . 1 . . . . A 64 ASP HA . 34085 1 623 . 1 1 64 64 ASP HB2 H 1 2.899 . . 2 . . . . A 64 ASP HB2 . 34085 1 624 . 1 1 64 64 ASP HB3 H 1 2.252 . . 2 . . . . A 64 ASP HB3 . 34085 1 625 . 1 1 64 64 ASP C C 13 174.063 . . 1 . . . . A 64 ASP C . 34085 1 626 . 1 1 64 64 ASP CA C 13 52.871 . . 1 . . . . A 64 ASP CA . 34085 1 627 . 1 1 64 64 ASP CB C 13 42.203 . . 1 . . . . A 64 ASP CB . 34085 1 628 . 1 1 64 64 ASP N N 15 129.077 . . 1 . . . . A 64 ASP N . 34085 1 629 . 1 1 65 65 LEU H H 1 8.754 . . 1 . . . . A 65 LEU H . 34085 1 630 . 1 1 65 65 LEU HA H 1 4.720 . . 1 . . . . A 65 LEU HA . 34085 1 631 . 1 1 65 65 LEU HB2 H 1 1.692 . . 2 . . . . A 65 LEU HB2 . 34085 1 632 . 1 1 65 65 LEU HB3 H 1 1.692 . . 2 . . . . A 65 LEU HB3 . 34085 1 633 . 1 1 65 65 LEU HG H 1 1.453 . . 1 . . . . A 65 LEU HG . 34085 1 634 . 1 1 65 65 LEU HD11 H 1 0.788 . . 2 . . . . A 65 LEU MD1 . 34085 1 635 . 1 1 65 65 LEU HD12 H 1 0.788 . . 2 . . . . A 65 LEU MD1 . 34085 1 636 . 1 1 65 65 LEU HD13 H 1 0.788 . . 2 . . . . A 65 LEU MD1 . 34085 1 637 . 1 1 65 65 LEU HD21 H 1 0.804 . . 2 . . . . A 65 LEU MD2 . 34085 1 638 . 1 1 65 65 LEU HD22 H 1 0.804 . . 2 . . . . A 65 LEU MD2 . 34085 1 639 . 1 1 65 65 LEU HD23 H 1 0.804 . . 2 . . . . A 65 LEU MD2 . 34085 1 640 . 1 1 65 65 LEU C C 13 174.232 . . 1 . . . . A 65 LEU C . 34085 1 641 . 1 1 65 65 LEU CA C 13 57.518 . . 1 . . . . A 65 LEU CA . 34085 1 642 . 1 1 65 65 LEU CB C 13 42.449 . . 1 . . . . A 65 LEU CB . 34085 1 643 . 1 1 65 65 LEU CG C 13 31.378 . . 1 . . . . A 65 LEU CG . 34085 1 644 . 1 1 65 65 LEU CD1 C 13 26.440 . . 2 . . . . A 65 LEU CD1 . 34085 1 645 . 1 1 65 65 LEU CD2 C 13 26.370 . . 2 . . . . A 65 LEU CD2 . 34085 1 646 . 1 1 65 65 LEU N N 15 125.028 . . 1 . . . . A 65 LEU N . 34085 1 647 . 1 1 66 66 PRO HA H 1 4.565 . . 1 . . . . A 66 PRO HA . 34085 1 648 . 1 1 66 66 PRO HB2 H 1 2.272 . . 2 . . . . A 66 PRO HB2 . 34085 1 649 . 1 1 66 66 PRO HB3 H 1 2.130 . . 2 . . . . A 66 PRO HB3 . 34085 1 650 . 1 1 66 66 PRO HG2 H 1 2.053 . . 2 . . . . A 66 PRO HG2 . 34085 1 651 . 1 1 66 66 PRO HG3 H 1 2.002 . . 2 . . . . A 66 PRO HG3 . 34085 1 652 . 1 1 66 66 PRO HD2 H 1 3.616 . . 2 . . . . A 66 PRO HD2 . 34085 1 653 . 1 1 66 66 PRO HD3 H 1 3.795 . . 2 . . . . A 66 PRO HD3 . 34085 1 654 . 1 1 66 66 PRO C C 13 177.251 . . 1 . . . . A 66 PRO C . 34085 1 655 . 1 1 66 66 PRO CA C 13 61.423 . . 1 . . . . A 66 PRO CA . 34085 1 656 . 1 1 66 66 PRO CB C 13 32.435 . . 1 . . . . A 66 PRO CB . 34085 1 657 . 1 1 66 66 PRO CG C 13 27.628 . . 1 . . . . A 66 PRO CG . 34085 1 658 . 1 1 66 66 PRO CD C 13 50.230 . . 1 . . . . A 66 PRO CD . 34085 1 659 . 1 1 67 67 LEU H H 1 8.460 . . 1 . . . . A 67 LEU H . 34085 1 660 . 1 1 67 67 LEU HA H 1 4.045 . . 1 . . . . A 67 LEU HA . 34085 1 661 . 1 1 67 67 LEU HB2 H 1 1.505 . . 2 . . . . A 67 LEU HB2 . 34085 1 662 . 1 1 67 67 LEU HB3 H 1 1.527 . . 2 . . . . A 67 LEU HB3 . 34085 1 663 . 1 1 67 67 LEU HG H 1 1.463 . . 1 . . . . A 67 LEU HG . 34085 1 664 . 1 1 67 67 LEU HD11 H 1 0.832 . . 2 . . . . A 67 LEU MD1 . 34085 1 665 . 1 1 67 67 LEU HD12 H 1 0.832 . . 2 . . . . A 67 LEU MD1 . 34085 1 666 . 1 1 67 67 LEU HD13 H 1 0.832 . . 2 . . . . A 67 LEU MD1 . 34085 1 667 . 1 1 67 67 LEU HD21 H 1 0.899 . . 2 . . . . A 67 LEU MD2 . 34085 1 668 . 1 1 67 67 LEU HD22 H 1 0.899 . . 2 . . . . A 67 LEU MD2 . 34085 1 669 . 1 1 67 67 LEU HD23 H 1 0.899 . . 2 . . . . A 67 LEU MD2 . 34085 1 670 . 1 1 67 67 LEU C C 13 178.762 . . 1 . . . . A 67 LEU C . 34085 1 671 . 1 1 67 67 LEU CA C 13 58.434 . . 1 . . . . A 67 LEU CA . 34085 1 672 . 1 1 67 67 LEU CB C 13 41.648 . . 1 . . . . A 67 LEU CB . 34085 1 673 . 1 1 67 67 LEU CG C 13 27.345 . . 1 . . . . A 67 LEU CG . 34085 1 674 . 1 1 67 67 LEU CD1 C 13 21.484 . . 2 . . . . A 67 LEU CD1 . 34085 1 675 . 1 1 67 67 LEU CD2 C 13 23.336 . . 2 . . . . A 67 LEU CD2 . 34085 1 676 . 1 1 67 67 LEU N N 15 121.866 . . 1 . . . . A 67 LEU N . 34085 1 677 . 1 1 68 68 ARG H H 1 8.625 . . 1 . . . . A 68 ARG H . 34085 1 678 . 1 1 68 68 ARG HA H 1 4.169 . . 1 . . . . A 68 ARG HA . 34085 1 679 . 1 1 68 68 ARG HB2 H 1 1.766 . . 2 . . . . A 68 ARG HB2 . 34085 1 680 . 1 1 68 68 ARG HB3 H 1 1.646 . . 2 . . . . A 68 ARG HB3 . 34085 1 681 . 1 1 68 68 ARG HG2 H 1 1.571 . . 2 . . . . A 68 ARG HG2 . 34085 1 682 . 1 1 68 68 ARG HG3 H 1 1.606 . . 2 . . . . A 68 ARG HG3 . 34085 1 683 . 1 1 68 68 ARG HD2 H 1 3.191 . . 2 . . . . A 68 ARG HD2 . 34085 1 684 . 1 1 68 68 ARG HD3 H 1 3.231 . . 2 . . . . A 68 ARG HD3 . 34085 1 685 . 1 1 68 68 ARG C C 13 176.644 . . 1 . . . . A 68 ARG C . 34085 1 686 . 1 1 68 68 ARG CA C 13 60.973 . . 1 . . . . A 68 ARG CA . 34085 1 687 . 1 1 68 68 ARG CB C 13 31.827 . . 1 . . . . A 68 ARG CB . 34085 1 688 . 1 1 68 68 ARG CG C 13 27.250 . . 1 . . . . A 68 ARG CG . 34085 1 689 . 1 1 68 68 ARG CD C 13 43.619 . . 1 . . . . A 68 ARG CD . 34085 1 690 . 1 1 68 68 ARG N N 15 115.716 . . 1 . . . . A 68 ARG N . 34085 1 691 . 1 1 69 69 CYS H H 1 7.904 . . 1 . . . . A 69 CYS H . 34085 1 692 . 1 1 69 69 CYS HA H 1 4.111 . . 1 . . . . A 69 CYS HA . 34085 1 693 . 1 1 69 69 CYS HB2 H 1 2.913 . . 2 . . . . A 69 CYS HB2 . 34085 1 694 . 1 1 69 69 CYS HB3 H 1 2.718 . . 2 . . . . A 69 CYS HB3 . 34085 1 695 . 1 1 69 69 CYS C C 13 178.350 . . 1 . . . . A 69 CYS C . 34085 1 696 . 1 1 69 69 CYS CA C 13 63.505 . . 1 . . . . A 69 CYS CA . 34085 1 697 . 1 1 69 69 CYS CB C 13 27.895 . . 1 . . . . A 69 CYS CB . 34085 1 698 . 1 1 69 69 CYS N N 15 115.280 . . 1 . . . . A 69 CYS N . 34085 1 699 . 1 1 70 70 LEU H H 1 7.590 . . 1 . . . . A 70 LEU H . 34085 1 700 . 1 1 70 70 LEU HA H 1 4.135 . . 1 . . . . A 70 LEU HA . 34085 1 701 . 1 1 70 70 LEU HB2 H 1 1.001 . . 2 . . . . A 70 LEU HB2 . 34085 1 702 . 1 1 70 70 LEU HB3 H 1 1.028 . . 2 . . . . A 70 LEU HB3 . 34085 1 703 . 1 1 70 70 LEU HG H 1 1.019 . . 1 . . . . A 70 LEU HG . 34085 1 704 . 1 1 70 70 LEU HD11 H 1 0.392 . . 2 . . . . A 70 LEU MD1 . 34085 1 705 . 1 1 70 70 LEU HD12 H 1 0.392 . . 2 . . . . A 70 LEU MD1 . 34085 1 706 . 1 1 70 70 LEU HD13 H 1 0.392 . . 2 . . . . A 70 LEU MD1 . 34085 1 707 . 1 1 70 70 LEU HD21 H 1 -0.291 . . 2 . . . . A 70 LEU MD2 . 34085 1 708 . 1 1 70 70 LEU HD22 H 1 -0.291 . . 2 . . . . A 70 LEU MD2 . 34085 1 709 . 1 1 70 70 LEU HD23 H 1 -0.291 . . 2 . . . . A 70 LEU MD2 . 34085 1 710 . 1 1 70 70 LEU C C 13 176.973 . . 1 . . . . A 70 LEU C . 34085 1 711 . 1 1 70 70 LEU CA C 13 57.422 . . 1 . . . . A 70 LEU CA . 34085 1 712 . 1 1 70 70 LEU CB C 13 43.349 . . 1 . . . . A 70 LEU CB . 34085 1 713 . 1 1 70 70 LEU CG C 13 26.505 . . 1 . . . . A 70 LEU CG . 34085 1 714 . 1 1 70 70 LEU CD1 C 13 22.751 . . 2 . . . . A 70 LEU CD1 . 34085 1 715 . 1 1 70 70 LEU CD2 C 13 26.003 . . 2 . . . . A 70 LEU CD2 . 34085 1 716 . 1 1 70 70 LEU N N 15 119.430 . . 1 . . . . A 70 LEU N . 34085 1 717 . 1 1 71 71 TYR H H 1 7.092 . . 1 . . . . A 71 TYR H . 34085 1 718 . 1 1 71 71 TYR HA H 1 4.159 . . 1 . . . . A 71 TYR HA . 34085 1 719 . 1 1 71 71 TYR HB2 H 1 2.899 . . 2 . . . . A 71 TYR HB2 . 34085 1 720 . 1 1 71 71 TYR HB3 H 1 2.995 . . 2 . . . . A 71 TYR HB3 . 34085 1 721 . 1 1 71 71 TYR C C 13 178.889 . . 1 . . . . A 71 TYR C . 34085 1 722 . 1 1 71 71 TYR CA C 13 61.578 . . 1 . . . . A 71 TYR CA . 34085 1 723 . 1 1 71 71 TYR CB C 13 38.913 . . 1 . . . . A 71 TYR CB . 34085 1 724 . 1 1 71 71 TYR N N 15 114.368 . . 1 . . . . A 71 TYR N . 34085 1 725 . 1 1 72 72 GLU H H 1 7.727 . . 1 . . . . A 72 GLU H . 34085 1 726 . 1 1 72 72 GLU HA H 1 4.124 . . 1 . . . . A 72 GLU HA . 34085 1 727 . 1 1 72 72 GLU HB2 H 1 2.116 . . 2 . . . . A 72 GLU HB2 . 34085 1 728 . 1 1 72 72 GLU HB3 H 1 1.926 . . 2 . . . . A 72 GLU HB3 . 34085 1 729 . 1 1 72 72 GLU HG2 H 1 2.296 . . 2 . . . . A 72 GLU HG2 . 34085 1 730 . 1 1 72 72 GLU HG3 H 1 2.290 . . 2 . . . . A 72 GLU HG3 . 34085 1 731 . 1 1 72 72 GLU C C 13 175.791 . . 1 . . . . A 72 GLU C . 34085 1 732 . 1 1 72 72 GLU CA C 13 57.106 . . 1 . . . . A 72 GLU CA . 34085 1 733 . 1 1 72 72 GLU CB C 13 30.066 . . 1 . . . . A 72 GLU CB . 34085 1 734 . 1 1 72 72 GLU CG C 13 36.294 . . 1 . . . . A 72 GLU CG . 34085 1 735 . 1 1 72 72 GLU N N 15 115.187 . . 1 . . . . A 72 GLU N . 34085 1 736 . 1 1 73 73 ALA H H 1 7.525 . . 1 . . . . A 73 ALA H . 34085 1 737 . 1 1 73 73 ALA HA H 1 4.626 . . 1 . . . . A 73 ALA HA . 34085 1 738 . 1 1 73 73 ALA HB1 H 1 1.199 . . 1 . . . . A 73 ALA MB . 34085 1 739 . 1 1 73 73 ALA HB2 H 1 1.199 . . 1 . . . . A 73 ALA MB . 34085 1 740 . 1 1 73 73 ALA HB3 H 1 1.199 . . 1 . . . . A 73 ALA MB . 34085 1 741 . 1 1 73 73 ALA C C 13 172.000 . . 1 . . . . A 73 ALA C . 34085 1 742 . 1 1 73 73 ALA CA C 13 50.403 . . 1 . . . . A 73 ALA CA . 34085 1 743 . 1 1 73 73 ALA CB C 13 18.955 . . 1 . . . . A 73 ALA CB . 34085 1 744 . 1 1 73 73 ALA N N 15 123.657 . . 1 . . . . A 73 ALA N . 34085 1 745 . 1 1 74 74 PRO HA H 1 4.880 . . 1 . . . . A 74 PRO HA . 34085 1 746 . 1 1 74 74 PRO HB2 H 1 2.238 . . 2 . . . . A 74 PRO HB2 . 34085 1 747 . 1 1 74 74 PRO HB3 H 1 2.278 . . 2 . . . . A 74 PRO HB3 . 34085 1 748 . 1 1 74 74 PRO HG2 H 1 1.920 . . 2 . . . . A 74 PRO HG2 . 34085 1 749 . 1 1 74 74 PRO HG3 H 1 1.993 . . 2 . . . . A 74 PRO HG3 . 34085 1 750 . 1 1 74 74 PRO HD2 H 1 3.849 . . 2 . . . . A 74 PRO HD2 . 34085 1 751 . 1 1 74 74 PRO HD3 H 1 3.747 . . 2 . . . . A 74 PRO HD3 . 34085 1 752 . 1 1 74 74 PRO C C 13 176.283 . . 1 . . . . A 74 PRO C . 34085 1 753 . 1 1 74 74 PRO CA C 13 64.699 . . 1 . . . . A 74 PRO CA . 34085 1 754 . 1 1 74 74 PRO CB C 13 29.413 . . 1 . . . . A 74 PRO CB . 34085 1 755 . 1 1 74 74 PRO CG C 13 27.002 . . 1 . . . . A 74 PRO CG . 34085 1 756 . 1 1 74 74 PRO CD C 13 50.795 . . 1 . . . . A 74 PRO CD . 34085 1 757 . 1 1 75 75 THR H H 1 7.490 . . 1 . . . . A 75 THR H . 34085 1 758 . 1 1 75 75 THR HA H 1 5.223 . . 1 . . . . A 75 THR HA . 34085 1 759 . 1 1 75 75 THR HB H 1 4.941 . . 1 . . . . A 75 THR HB . 34085 1 760 . 1 1 75 75 THR HG21 H 1 1.066 . . 1 . . . . A 75 THR MG . 34085 1 761 . 1 1 75 75 THR HG22 H 1 1.066 . . 1 . . . . A 75 THR MG . 34085 1 762 . 1 1 75 75 THR HG23 H 1 1.066 . . 1 . . . . A 75 THR MG . 34085 1 763 . 1 1 75 75 THR C C 13 173.541 . . 1 . . . . A 75 THR C . 34085 1 764 . 1 1 75 75 THR CA C 13 58.885 . . 1 . . . . A 75 THR CA . 34085 1 765 . 1 1 75 75 THR CB C 13 72.072 . . 1 . . . . A 75 THR CB . 34085 1 766 . 1 1 75 75 THR CG2 C 13 22.137 . . 1 . . . . A 75 THR CG2 . 34085 1 767 . 1 1 75 75 THR N N 15 109.086 . . 1 . . . . A 75 THR N . 34085 1 768 . 1 1 76 76 VAL H H 1 9.863 . . 1 . . . . A 76 VAL H . 34085 1 769 . 1 1 76 76 VAL HA H 1 2.759 . . 1 . . . . A 76 VAL HA . 34085 1 770 . 1 1 76 76 VAL HB H 1 1.470 . . 1 . . . . A 76 VAL HB . 34085 1 771 . 1 1 76 76 VAL HG11 H 1 0.494 . . 2 . . . . A 76 VAL MG1 . 34085 1 772 . 1 1 76 76 VAL HG12 H 1 0.494 . . 2 . . . . A 76 VAL MG1 . 34085 1 773 . 1 1 76 76 VAL HG13 H 1 0.494 . . 2 . . . . A 76 VAL MG1 . 34085 1 774 . 1 1 76 76 VAL HG21 H 1 -0.400 . . 2 . . . . A 76 VAL MG2 . 34085 1 775 . 1 1 76 76 VAL HG22 H 1 -0.400 . . 2 . . . . A 76 VAL MG2 . 34085 1 776 . 1 1 76 76 VAL HG23 H 1 -0.400 . . 2 . . . . A 76 VAL MG2 . 34085 1 777 . 1 1 76 76 VAL C C 13 177.642 . . 1 . . . . A 76 VAL C . 34085 1 778 . 1 1 76 76 VAL CA C 13 67.695 . . 1 . . . . A 76 VAL CA . 34085 1 779 . 1 1 76 76 VAL CB C 13 31.614 . . 1 . . . . A 76 VAL CB . 34085 1 780 . 1 1 76 76 VAL CG1 C 13 20.858 . . 2 . . . . A 76 VAL CG1 . 34085 1 781 . 1 1 76 76 VAL CG2 C 13 21.466 . . 2 . . . . A 76 VAL CG2 . 34085 1 782 . 1 1 76 76 VAL N N 15 125.007 . . 1 . . . . A 76 VAL N . 34085 1 783 . 1 1 77 77 ALA H H 1 8.668 . . 1 . . . . A 77 ALA H . 34085 1 784 . 1 1 77 77 ALA HA H 1 3.829 . . 1 . . . . A 77 ALA HA . 34085 1 785 . 1 1 77 77 ALA HB1 H 1 1.120 . . 1 . . . . A 77 ALA MB . 34085 1 786 . 1 1 77 77 ALA HB2 H 1 1.120 . . 1 . . . . A 77 ALA MB . 34085 1 787 . 1 1 77 77 ALA HB3 H 1 1.120 . . 1 . . . . A 77 ALA MB . 34085 1 788 . 1 1 77 77 ALA C C 13 181.623 . . 1 . . . . A 77 ALA C . 34085 1 789 . 1 1 77 77 ALA CA C 13 55.761 . . 1 . . . . A 77 ALA CA . 34085 1 790 . 1 1 77 77 ALA CB C 13 18.598 . . 1 . . . . A 77 ALA CB . 34085 1 791 . 1 1 77 77 ALA N N 15 118.558 . . 1 . . . . A 77 ALA N . 34085 1 792 . 1 1 78 78 ARG H H 1 8.066 . . 1 . . . . A 78 ARG H . 34085 1 793 . 1 1 78 78 ARG HA H 1 4.100 . . 1 . . . . A 78 ARG HA . 34085 1 794 . 1 1 78 78 ARG HB2 H 1 1.940 . . 2 . . . . A 78 ARG HB2 . 34085 1 795 . 1 1 78 78 ARG HB3 H 1 2.008 . . 2 . . . . A 78 ARG HB3 . 34085 1 796 . 1 1 78 78 ARG HG2 H 1 1.516 . . 2 . . . . A 78 ARG HG2 . 34085 1 797 . 1 1 78 78 ARG HG3 H 1 1.535 . . 2 . . . . A 78 ARG HG3 . 34085 1 798 . 1 1 78 78 ARG HD2 H 1 3.152 . . 2 . . . . A 78 ARG HD2 . 34085 1 799 . 1 1 78 78 ARG HD3 H 1 3.192 . . 2 . . . . A 78 ARG HD3 . 34085 1 800 . 1 1 78 78 ARG C C 13 179.378 . . 1 . . . . A 78 ARG C . 34085 1 801 . 1 1 78 78 ARG CA C 13 61.435 . . 1 . . . . A 78 ARG CA . 34085 1 802 . 1 1 78 78 ARG CB C 13 30.038 . . 1 . . . . A 78 ARG CB . 34085 1 803 . 1 1 78 78 ARG CG C 13 27.250 . . 1 . . . . A 78 ARG CG . 34085 1 804 . 1 1 78 78 ARG CD C 13 43.942 . . 1 . . . . A 78 ARG CD . 34085 1 805 . 1 1 78 78 ARG N N 15 116.205 . . 1 . . . . A 78 ARG N . 34085 1 806 . 1 1 79 79 LEU H H 1 9.616 . . 1 . . . . A 79 LEU H . 34085 1 807 . 1 1 79 79 LEU HA H 1 4.071 . . 1 . . . . A 79 LEU HA . 34085 1 808 . 1 1 79 79 LEU HB2 H 1 1.611 . . 2 . . . . A 79 LEU HB2 . 34085 1 809 . 1 1 79 79 LEU HB3 H 1 1.644 . . 2 . . . . A 79 LEU HB3 . 34085 1 810 . 1 1 79 79 LEU HG H 1 1.881 . . 1 . . . . A 79 LEU HG . 34085 1 811 . 1 1 79 79 LEU HD11 H 1 0.892 . . 2 . . . . A 79 LEU MD1 . 34085 1 812 . 1 1 79 79 LEU HD12 H 1 0.892 . . 2 . . . . A 79 LEU MD1 . 34085 1 813 . 1 1 79 79 LEU HD13 H 1 0.892 . . 2 . . . . A 79 LEU MD1 . 34085 1 814 . 1 1 79 79 LEU HD21 H 1 0.804 . . 2 . . . . A 79 LEU MD2 . 34085 1 815 . 1 1 79 79 LEU HD22 H 1 0.804 . . 2 . . . . A 79 LEU MD2 . 34085 1 816 . 1 1 79 79 LEU HD23 H 1 0.804 . . 2 . . . . A 79 LEU MD2 . 34085 1 817 . 1 1 79 79 LEU C C 13 178.903 . . 1 . . . . A 79 LEU C . 34085 1 818 . 1 1 79 79 LEU CA C 13 58.268 . . 1 . . . . A 79 LEU CA . 34085 1 819 . 1 1 79 79 LEU CB C 13 41.709 . . 1 . . . . A 79 LEU CB . 34085 1 820 . 1 1 79 79 LEU CG C 13 26.860 . . 1 . . . . A 79 LEU CG . 34085 1 821 . 1 1 79 79 LEU CD1 C 13 23.930 . . 2 . . . . A 79 LEU CD1 . 34085 1 822 . 1 1 79 79 LEU CD2 C 13 21.918 . . 2 . . . . A 79 LEU CD2 . 34085 1 823 . 1 1 79 79 LEU N N 15 126.772 . . 1 . . . . A 79 LEU N . 34085 1 824 . 1 1 80 80 ALA H H 1 8.608 . . 1 . . . . A 80 ALA H . 34085 1 825 . 1 1 80 80 ALA HA H 1 3.817 . . 1 . . . . A 80 ALA HA . 34085 1 826 . 1 1 80 80 ALA HB1 H 1 1.410 . . 1 . . . . A 80 ALA MB . 34085 1 827 . 1 1 80 80 ALA HB2 H 1 1.410 . . 1 . . . . A 80 ALA MB . 34085 1 828 . 1 1 80 80 ALA HB3 H 1 1.410 . . 1 . . . . A 80 ALA MB . 34085 1 829 . 1 1 80 80 ALA C C 13 178.827 . . 1 . . . . A 80 ALA C . 34085 1 830 . 1 1 80 80 ALA CA C 13 55.473 . . 1 . . . . A 80 ALA CA . 34085 1 831 . 1 1 80 80 ALA CB C 13 19.266 . . 1 . . . . A 80 ALA CB . 34085 1 832 . 1 1 80 80 ALA N N 15 120.544 . . 1 . . . . A 80 ALA N . 34085 1 833 . 1 1 81 81 GLU H H 1 7.133 . . 1 . . . . A 81 GLU H . 34085 1 834 . 1 1 81 81 GLU HA H 1 3.928 . . 1 . . . . A 81 GLU HA . 34085 1 835 . 1 1 81 81 GLU HB2 H 1 2.113 . . 2 . . . . A 81 GLU HB2 . 34085 1 836 . 1 1 81 81 GLU HB3 H 1 2.083 . . 2 . . . . A 81 GLU HB3 . 34085 1 837 . 1 1 81 81 GLU HG2 H 1 2.223 . . 2 . . . . A 81 GLU HG2 . 34085 1 838 . 1 1 81 81 GLU HG3 H 1 2.203 . . 2 . . . . A 81 GLU HG3 . 34085 1 839 . 1 1 81 81 GLU C C 13 178.884 . . 1 . . . . A 81 GLU C . 34085 1 840 . 1 1 81 81 GLU CA C 13 59.500 . . 1 . . . . A 81 GLU CA . 34085 1 841 . 1 1 81 81 GLU CB C 13 29.656 . . 1 . . . . A 81 GLU CB . 34085 1 842 . 1 1 81 81 GLU CG C 13 36.398 . . 1 . . . . A 81 GLU CG . 34085 1 843 . 1 1 81 81 GLU N N 15 115.585 . . 1 . . . . A 81 GLU N . 34085 1 844 . 1 1 82 82 THR H H 1 7.899 . . 1 . . . . A 82 THR H . 34085 1 845 . 1 1 82 82 THR HA H 1 3.840 . . 1 . . . . A 82 THR HA . 34085 1 846 . 1 1 82 82 THR HB H 1 4.503 . . 1 . . . . A 82 THR HB . 34085 1 847 . 1 1 82 82 THR HG21 H 1 1.229 . . 1 . . . . A 82 THR MG . 34085 1 848 . 1 1 82 82 THR HG22 H 1 1.229 . . 1 . . . . A 82 THR MG . 34085 1 849 . 1 1 82 82 THR HG23 H 1 1.229 . . 1 . . . . A 82 THR MG . 34085 1 850 . 1 1 82 82 THR C C 13 175.447 . . 1 . . . . A 82 THR C . 34085 1 851 . 1 1 82 82 THR CA C 13 67.079 . . 1 . . . . A 82 THR CA . 34085 1 852 . 1 1 82 82 THR CB C 13 68.924 . . 1 . . . . A 82 THR CB . 34085 1 853 . 1 1 82 82 THR CG2 C 13 21.505 . . 1 . . . . A 82 THR CG2 . 34085 1 854 . 1 1 82 82 THR N N 15 117.929 . . 1 . . . . A 82 THR N . 34085 1 855 . 1 1 83 83 ILE H H 1 8.109 . . 1 . . . . A 83 ILE H . 34085 1 856 . 1 1 83 83 ILE HA H 1 3.888 . . 1 . . . . A 83 ILE HA . 34085 1 857 . 1 1 83 83 ILE HB H 1 2.051 . . 1 . . . . A 83 ILE HB . 34085 1 858 . 1 1 83 83 ILE HG12 H 1 1.656 . . 2 . . . . A 83 ILE HG12 . 34085 1 859 . 1 1 83 83 ILE HG13 H 1 1.518 . . 2 . . . . A 83 ILE HG13 . 34085 1 860 . 1 1 83 83 ILE HG21 H 1 1.124 . . 1 . . . . A 83 ILE MG . 34085 1 861 . 1 1 83 83 ILE HG22 H 1 1.124 . . 1 . . . . A 83 ILE MG . 34085 1 862 . 1 1 83 83 ILE HG23 H 1 1.124 . . 1 . . . . A 83 ILE MG . 34085 1 863 . 1 1 83 83 ILE HD11 H 1 1.195 . . 1 . . . . A 83 ILE MD . 34085 1 864 . 1 1 83 83 ILE HD12 H 1 1.195 . . 1 . . . . A 83 ILE MD . 34085 1 865 . 1 1 83 83 ILE HD13 H 1 1.195 . . 1 . . . . A 83 ILE MD . 34085 1 866 . 1 1 83 83 ILE C C 13 177.794 . . 1 . . . . A 83 ILE C . 34085 1 867 . 1 1 83 83 ILE CA C 13 64.451 . . 1 . . . . A 83 ILE CA . 34085 1 868 . 1 1 83 83 ILE CB C 13 36.447 . . 1 . . . . A 83 ILE CB . 34085 1 869 . 1 1 83 83 ILE CG1 C 13 27.265 . . 1 . . . . A 83 ILE CG1 . 34085 1 870 . 1 1 83 83 ILE CG2 C 13 18.914 . . 1 . . . . A 83 ILE CG2 . 34085 1 871 . 1 1 83 83 ILE CD1 C 13 18.270 . . 1 . . . . A 83 ILE CD1 . 34085 1 872 . 1 1 83 83 ILE N N 15 121.307 . . 1 . . . . A 83 ILE N . 34085 1 873 . 1 1 84 84 VAL H H 1 7.924 . . 1 . . . . A 84 VAL H . 34085 1 874 . 1 1 84 84 VAL HA H 1 3.606 . . 1 . . . . A 84 VAL HA . 34085 1 875 . 1 1 84 84 VAL HB H 1 2.113 . . 1 . . . . A 84 VAL HB . 34085 1 876 . 1 1 84 84 VAL HG11 H 1 0.968 . . 2 . . . . A 84 VAL MG1 . 34085 1 877 . 1 1 84 84 VAL HG12 H 1 0.968 . . 2 . . . . A 84 VAL MG1 . 34085 1 878 . 1 1 84 84 VAL HG13 H 1 0.968 . . 2 . . . . A 84 VAL MG1 . 34085 1 879 . 1 1 84 84 VAL HG21 H 1 0.928 . . 2 . . . . A 84 VAL MG2 . 34085 1 880 . 1 1 84 84 VAL HG22 H 1 0.928 . . 2 . . . . A 84 VAL MG2 . 34085 1 881 . 1 1 84 84 VAL HG23 H 1 0.928 . . 2 . . . . A 84 VAL MG2 . 34085 1 882 . 1 1 84 84 VAL C C 13 178.360 . . 1 . . . . A 84 VAL C . 34085 1 883 . 1 1 84 84 VAL CA C 13 65.690 . . 1 . . . . A 84 VAL CA . 34085 1 884 . 1 1 84 84 VAL CB C 13 32.045 . . 1 . . . . A 84 VAL CB . 34085 1 885 . 1 1 84 84 VAL CG1 C 13 22.909 . . 2 . . . . A 84 VAL CG1 . 34085 1 886 . 1 1 84 84 VAL CG2 C 13 21.465 . . 2 . . . . A 84 VAL CG2 . 34085 1 887 . 1 1 84 84 VAL N N 15 118.038 . . 1 . . . . A 84 VAL N . 34085 1 888 . 1 1 85 85 ARG H H 1 7.873 . . 1 . . . . A 85 ARG H . 34085 1 889 . 1 1 85 85 ARG HA H 1 4.097 . . 1 . . . . A 85 ARG HA . 34085 1 890 . 1 1 85 85 ARG HB2 H 1 1.924 . . 2 . . . . A 85 ARG HB2 . 34085 1 891 . 1 1 85 85 ARG HB3 H 1 1.924 . . 2 . . . . A 85 ARG HB3 . 34085 1 892 . 1 1 85 85 ARG HG2 H 1 1.824 . . 2 . . . . A 85 ARG HG2 . 34085 1 893 . 1 1 85 85 ARG HG3 H 1 1.854 . . 2 . . . . A 85 ARG HG3 . 34085 1 894 . 1 1 85 85 ARG HD2 H 1 3.202 . . 2 . . . . A 85 ARG HD2 . 34085 1 895 . 1 1 85 85 ARG HD3 H 1 3.192 . . 2 . . . . A 85 ARG HD3 . 34085 1 896 . 1 1 85 85 ARG C C 13 178.540 . . 1 . . . . A 85 ARG C . 34085 1 897 . 1 1 85 85 ARG CA C 13 59.253 . . 1 . . . . A 85 ARG CA . 34085 1 898 . 1 1 85 85 ARG CB C 13 30.150 . . 1 . . . . A 85 ARG CB . 34085 1 899 . 1 1 85 85 ARG CG C 13 27.129 . . 1 . . . . A 85 ARG CG . 34085 1 900 . 1 1 85 85 ARG CD C 13 43.505 . . 1 . . . . A 85 ARG CD . 34085 1 901 . 1 1 85 85 ARG N N 15 119.615 . . 1 . . . . A 85 ARG N . 34085 1 902 . 1 1 86 86 LEU H H 1 7.967 . . 1 . . . . A 86 LEU H . 34085 1 903 . 1 1 86 86 LEU HA H 1 4.209 . . 1 . . . . A 86 LEU HA . 34085 1 904 . 1 1 86 86 LEU HB2 H 1 1.743 . . 2 . . . . A 86 LEU HB2 . 34085 1 905 . 1 1 86 86 LEU HB3 H 1 1.938 . . 2 . . . . A 86 LEU HB3 . 34085 1 906 . 1 1 86 86 LEU HG H 1 1.580 . . 1 . . . . A 86 LEU HG . 34085 1 907 . 1 1 86 86 LEU HD11 H 1 0.819 . . 2 . . . . A 86 LEU MD1 . 34085 1 908 . 1 1 86 86 LEU HD12 H 1 0.819 . . 2 . . . . A 86 LEU MD1 . 34085 1 909 . 1 1 86 86 LEU HD13 H 1 0.819 . . 2 . . . . A 86 LEU MD1 . 34085 1 910 . 1 1 86 86 LEU HD21 H 1 0.774 . . 2 . . . . A 86 LEU MD2 . 34085 1 911 . 1 1 86 86 LEU HD22 H 1 0.774 . . 2 . . . . A 86 LEU MD2 . 34085 1 912 . 1 1 86 86 LEU HD23 H 1 0.774 . . 2 . . . . A 86 LEU MD2 . 34085 1 913 . 1 1 86 86 LEU C C 13 177.830 . . 1 . . . . A 86 LEU C . 34085 1 914 . 1 1 86 86 LEU CA C 13 56.483 . . 1 . . . . A 86 LEU CA . 34085 1 915 . 1 1 86 86 LEU CB C 13 39.032 . . 1 . . . . A 86 LEU CB . 34085 1 916 . 1 1 86 86 LEU CG C 13 27.641 . . 1 . . . . A 86 LEU CG . 34085 1 917 . 1 1 86 86 LEU CD1 C 13 26.397 . . 2 . . . . A 86 LEU CD1 . 34085 1 918 . 1 1 86 86 LEU CD2 C 13 24.552 . . 2 . . . . A 86 LEU CD2 . 34085 1 919 . 1 1 86 86 LEU N N 15 118.439 . . 1 . . . . A 86 LEU N . 34085 1 920 . 1 1 87 87 ALA H H 1 7.730 . . 1 . . . . A 87 ALA H . 34085 1 921 . 1 1 87 87 ALA HA H 1 4.277 . . 1 . . . . A 87 ALA HA . 34085 1 922 . 1 1 87 87 ALA HB1 H 1 1.416 . . 1 . . . . A 87 ALA MB . 34085 1 923 . 1 1 87 87 ALA HB2 H 1 1.416 . . 1 . . . . A 87 ALA MB . 34085 1 924 . 1 1 87 87 ALA HB3 H 1 1.416 . . 1 . . . . A 87 ALA MB . 34085 1 925 . 1 1 87 87 ALA C C 13 176.980 . . 1 . . . . A 87 ALA C . 34085 1 926 . 1 1 87 87 ALA CA C 13 52.667 . . 1 . . . . A 87 ALA CA . 34085 1 927 . 1 1 87 87 ALA CB C 13 19.260 . . 1 . . . . A 87 ALA CB . 34085 1 928 . 1 1 87 87 ALA N N 15 121.635 . . 1 . . . . A 87 ALA N . 34085 1 929 . 1 1 88 88 ALA H H 1 7.770 . . 1 . . . . A 88 ALA H . 34085 1 930 . 1 1 88 88 ALA HA H 1 4.556 . . 1 . . . . A 88 ALA HA . 34085 1 931 . 1 1 88 88 ALA HB1 H 1 1.348 . . 1 . . . . A 88 ALA MB . 34085 1 932 . 1 1 88 88 ALA HB2 H 1 1.348 . . 1 . . . . A 88 ALA MB . 34085 1 933 . 1 1 88 88 ALA HB3 H 1 1.348 . . 1 . . . . A 88 ALA MB . 34085 1 934 . 1 1 88 88 ALA C C 13 175.079 . . 1 . . . . A 88 ALA C . 34085 1 935 . 1 1 88 88 ALA CA C 13 50.806 . . 1 . . . . A 88 ALA CA . 34085 1 936 . 1 1 88 88 ALA CB C 13 18.394 . . 1 . . . . A 88 ALA CB . 34085 1 937 . 1 1 88 88 ALA N N 15 123.696 . . 1 . . . . A 88 ALA N . 34085 1 938 . 1 1 89 89 PRO HA H 1 4.431 . . 1 . . . . A 89 PRO HA . 34085 1 939 . 1 1 89 89 PRO HB2 H 1 1.891 . . 2 . . . . A 89 PRO HB2 . 34085 1 940 . 1 1 89 89 PRO HB3 H 1 1.861 . . 2 . . . . A 89 PRO HB3 . 34085 1 941 . 1 1 89 89 PRO HG2 H 1 2.005 . . 2 . . . . A 89 PRO HG2 . 34085 1 942 . 1 1 89 89 PRO HG3 H 1 1.990 . . 2 . . . . A 89 PRO HG3 . 34085 1 943 . 1 1 89 89 PRO HD2 H 1 3.799 . . 2 . . . . A 89 PRO HD2 . 34085 1 944 . 1 1 89 89 PRO HD3 H 1 3.608 . . 2 . . . . A 89 PRO HD3 . 34085 1 945 . 1 1 89 89 PRO C C 13 176.462 . . 1 . . . . A 89 PRO C . 34085 1 946 . 1 1 89 89 PRO CA C 13 62.951 . . 1 . . . . A 89 PRO CA . 34085 1 947 . 1 1 89 89 PRO CB C 13 31.847 . . 1 . . . . A 89 PRO CB . 34085 1 948 . 1 1 89 89 PRO CG C 13 27.397 . . 1 . . . . A 89 PRO CG . 34085 1 949 . 1 1 89 89 PRO CD C 13 50.694 . . 1 . . . . A 89 PRO CD . 34085 1 950 . 1 1 90 90 ALA H H 1 8.544 . . 1 . . . . A 90 ALA H . 34085 1 951 . 1 1 90 90 ALA HA H 1 4.559 . . 1 . . . . A 90 ALA HA . 34085 1 952 . 1 1 90 90 ALA HB1 H 1 1.378 . . 1 . . . . A 90 ALA MB . 34085 1 953 . 1 1 90 90 ALA HB2 H 1 1.378 . . 1 . . . . A 90 ALA MB . 34085 1 954 . 1 1 90 90 ALA HB3 H 1 1.378 . . 1 . . . . A 90 ALA MB . 34085 1 955 . 1 1 90 90 ALA C C 13 175.597 . . 1 . . . . A 90 ALA C . 34085 1 956 . 1 1 90 90 ALA CA C 13 50.575 . . 1 . . . . A 90 ALA CA . 34085 1 957 . 1 1 90 90 ALA CB C 13 18.812 . . 1 . . . . A 90 ALA CB . 34085 1 958 . 1 1 90 90 ALA N N 15 125.926 . . 1 . . . . A 90 ALA N . 34085 1 959 . 1 1 91 91 PRO HA H 1 4.427 . . 1 . . . . A 91 PRO HA . 34085 1 960 . 1 1 91 91 PRO HB2 H 1 1.879 . . 2 . . . . A 91 PRO HB2 . 34085 1 961 . 1 1 91 91 PRO HB3 H 1 2.271 . . 2 . . . . A 91 PRO HB3 . 34085 1 962 . 1 1 91 91 PRO HG2 H 1 2.001 . . 2 . . . . A 91 PRO HG2 . 34085 1 963 . 1 1 91 91 PRO HG3 H 1 2.047 . . 2 . . . . A 91 PRO HG3 . 34085 1 964 . 1 1 91 91 PRO HD2 H 1 3.615 . . 2 . . . . A 91 PRO HD2 . 34085 1 965 . 1 1 91 91 PRO HD3 H 1 3.784 . . 2 . . . . A 91 PRO HD3 . 34085 1 966 . 1 1 91 91 PRO C C 13 176.974 . . 1 . . . . A 91 PRO C . 34085 1 967 . 1 1 91 91 PRO CA C 13 62.754 . . 1 . . . . A 91 PRO CA . 34085 1 968 . 1 1 91 91 PRO CB C 13 32.097 . . 1 . . . . A 91 PRO CB . 34085 1 969 . 1 1 91 91 PRO CG C 13 27.274 . . 1 . . . . A 91 PRO CG . 34085 1 970 . 1 1 91 91 PRO CD C 13 50.593 . . 1 . . . . A 91 PRO CD . 34085 1 971 . 1 1 92 92 SER H H 1 8.600 . . 1 . . . . A 92 SER H . 34085 1 972 . 1 1 92 92 SER HA H 1 4.426 . . 1 . . . . A 92 SER HA . 34085 1 973 . 1 1 92 92 SER HB2 H 1 3.895 . . 2 . . . . A 92 SER HB2 . 34085 1 974 . 1 1 92 92 SER HB3 H 1 3.914 . . 2 . . . . A 92 SER HB3 . 34085 1 975 . 1 1 92 92 SER C C 13 175.327 . . 1 . . . . A 92 SER C . 34085 1 976 . 1 1 92 92 SER CA C 13 58.631 . . 1 . . . . A 92 SER CA . 34085 1 977 . 1 1 92 92 SER CB C 13 64.280 . . 1 . . . . A 92 SER CB . 34085 1 978 . 1 1 92 92 SER N N 15 116.735 . . 1 . . . . A 92 SER N . 34085 1 979 . 1 1 93 93 GLY H H 1 8.530 . . 1 . . . . A 93 GLY H . 34085 1 980 . 1 1 93 93 GLY HA2 H 1 3.967 . . 2 . . . . A 93 GLY HA2 . 34085 1 981 . 1 1 93 93 GLY HA3 H 1 3.994 . . 2 . . . . A 93 GLY HA3 . 34085 1 982 . 1 1 93 93 GLY C C 13 173.897 . . 1 . . . . A 93 GLY C . 34085 1 983 . 1 1 93 93 GLY CA C 13 45.512 . . 1 . . . . A 93 GLY CA . 34085 1 984 . 1 1 93 93 GLY N N 15 110.977 . . 1 . . . . A 93 GLY N . 34085 1 985 . 1 1 94 94 ASP H H 1 8.279 . . 1 . . . . A 94 ASP H . 34085 1 986 . 1 1 94 94 ASP HA H 1 4.548 . . 1 . . . . A 94 ASP HA . 34085 1 987 . 1 1 94 94 ASP HB2 H 1 2.696 . . 2 . . . . A 94 ASP HB2 . 34085 1 988 . 1 1 94 94 ASP HB3 H 1 2.617 . . 2 . . . . A 94 ASP HB3 . 34085 1 989 . 1 1 94 94 ASP C C 13 175.771 . . 1 . . . . A 94 ASP C . 34085 1 990 . 1 1 94 94 ASP CA C 13 54.573 . . 1 . . . . A 94 ASP CA . 34085 1 991 . 1 1 94 94 ASP CB C 13 41.269 . . 1 . . . . A 94 ASP CB . 34085 1 992 . 1 1 94 94 ASP N N 15 122.061 . . 1 . . . . A 94 ASP N . 34085 1 993 . 1 1 95 95 GLN H H 1 8.463 . . 1 . . . . A 95 GLN H . 34085 1 994 . 1 1 95 95 GLN HA H 1 4.305 . . 1 . . . . A 95 GLN HA . 34085 1 995 . 1 1 95 95 GLN HB2 H 1 1.957 . . 2 . . . . A 95 GLN HB2 . 34085 1 996 . 1 1 95 95 GLN HB3 H 1 2.119 . . 2 . . . . A 95 GLN HB3 . 34085 1 997 . 1 1 95 95 GLN HG2 H 1 2.338 . . 2 . . . . A 95 GLN HG2 . 34085 1 998 . 1 1 95 95 GLN HG3 H 1 2.313 . . 2 . . . . A 95 GLN HG3 . 34085 1 999 . 1 1 95 95 GLN HE21 H 1 6.562 . . 2 . . . . A 95 GLN HE21 . 34085 1 1000 . 1 1 95 95 GLN HE22 H 1 7.327 . . 2 . . . . A 95 GLN HE22 . 34085 1 1001 . 1 1 95 95 GLN C C 13 175.509 . . 1 . . . . A 95 GLN C . 34085 1 1002 . 1 1 95 95 GLN CA C 13 55.722 . . 1 . . . . A 95 GLN CA . 34085 1 1003 . 1 1 95 95 GLN CB C 13 29.331 . . 1 . . . . A 95 GLN CB . 34085 1 1004 . 1 1 95 95 GLN CG C 13 33.948 . . 1 . . . . A 95 GLN CG . 34085 1 1005 . 1 1 95 95 GLN N N 15 120.265 . . 1 . . . . A 95 GLN N . 34085 1 1006 . 1 1 95 95 GLN NE2 N 15 108.786 . . 1 . . . . A 95 GLN NE2 . 34085 1 1007 . 1 1 96 96 ASP H H 1 8.364 . . 1 . . . . A 96 ASP H . 34085 1 1008 . 1 1 96 96 ASP HA H 1 4.872 . . 1 . . . . A 96 ASP HA . 34085 1 1009 . 1 1 96 96 ASP HB2 H 1 2.676 . . 2 . . . . A 96 ASP HB2 . 34085 1 1010 . 1 1 96 96 ASP HB3 H 1 2.595 . . 2 . . . . A 96 ASP HB3 . 34085 1 1011 . 1 1 96 96 ASP C C 13 176.286 . . 1 . . . . A 96 ASP C . 34085 1 1012 . 1 1 96 96 ASP CA C 13 54.544 . . 1 . . . . A 96 ASP CA . 34085 1 1013 . 1 1 96 96 ASP CB C 13 41.368 . . 1 . . . . A 96 ASP CB . 34085 1 1014 . 1 1 96 96 ASP N N 15 120.407 . . 1 . . . . A 96 ASP N . 34085 1 1015 . 1 1 97 97 ASP H H 1 8.373 . . 1 . . . . A 97 ASP H . 34085 1 1016 . 1 1 97 97 ASP HA H 1 4.562 . . 1 . . . . A 97 ASP HA . 34085 1 1017 . 1 1 97 97 ASP HB2 H 1 2.681 . . 2 . . . . A 97 ASP HB2 . 34085 1 1018 . 1 1 97 97 ASP HB3 H 1 2.583 . . 2 . . . . A 97 ASP HB3 . 34085 1 1019 . 1 1 97 97 ASP C C 13 176.128 . . 1 . . . . A 97 ASP C . 34085 1 1020 . 1 1 97 97 ASP CA C 13 54.559 . . 1 . . . . A 97 ASP CA . 34085 1 1021 . 1 1 97 97 ASP CB C 13 41.406 . . 1 . . . . A 97 ASP CB . 34085 1 1022 . 1 1 97 97 ASP N N 15 121.152 . . 1 . . . . A 97 ASP N . 34085 1 1023 . 1 1 98 98 ALA H H 1 8.351 . . 1 . . . . A 98 ALA H . 34085 1 1024 . 1 1 98 98 ALA HA H 1 4.275 . . 1 . . . . A 98 ALA HA . 34085 1 1025 . 1 1 98 98 ALA HB1 H 1 1.355 . . 1 . . . . A 98 ALA MB . 34085 1 1026 . 1 1 98 98 ALA HB2 H 1 1.355 . . 1 . . . . A 98 ALA MB . 34085 1 1027 . 1 1 98 98 ALA HB3 H 1 1.355 . . 1 . . . . A 98 ALA MB . 34085 1 1028 . 1 1 98 98 ALA C C 13 178.020 . . 1 . . . . A 98 ALA C . 34085 1 1029 . 1 1 98 98 ALA CA C 13 52.731 . . 1 . . . . A 98 ALA CA . 34085 1 1030 . 1 1 98 98 ALA CB C 13 19.199 . . 1 . . . . A 98 ALA CB . 34085 1 1031 . 1 1 98 98 ALA N N 15 124.781 . . 1 . . . . A 98 ALA N . 34085 1 1032 . 1 1 99 99 SER H H 1 8.360 . . 1 . . . . A 99 SER H . 34085 1 1033 . 1 1 99 99 SER HA H 1 4.332 . . 1 . . . . A 99 SER HA . 34085 1 1034 . 1 1 99 99 SER HB2 H 1 3.804 . . 2 . . . . A 99 SER HB2 . 34085 1 1035 . 1 1 99 99 SER HB3 H 1 3.840 . . 2 . . . . A 99 SER HB3 . 34085 1 1036 . 1 1 99 99 SER C C 13 174.737 . . 1 . . . . A 99 SER C . 34085 1 1037 . 1 1 99 99 SER CA C 13 59.205 . . 1 . . . . A 99 SER CA . 34085 1 1038 . 1 1 99 99 SER CB C 13 64.086 . . 1 . . . . A 99 SER CB . 34085 1 1039 . 1 1 99 99 SER N N 15 115.307 . . 1 . . . . A 99 SER N . 34085 1 1040 . 1 1 100 100 GLU H H 1 8.407 . . 1 . . . . A 100 GLU H . 34085 1 1041 . 1 1 100 100 GLU HA H 1 4.199 . . 1 . . . . A 100 GLU HA . 34085 1 1042 . 1 1 100 100 GLU HB2 H 1 1.836 . . 2 . . . . A 100 GLU HB2 . 34085 1 1043 . 1 1 100 100 GLU HB3 H 1 1.925 . . 2 . . . . A 100 GLU HB3 . 34085 1 1044 . 1 1 100 100 GLU HG2 H 1 2.080 . . 2 . . . . A 100 GLU HG2 . 34085 1 1045 . 1 1 100 100 GLU HG3 H 1 2.148 . . 2 . . . . A 100 GLU HG3 . 34085 1 1046 . 1 1 100 100 GLU C C 13 176.126 . . 1 . . . . A 100 GLU C . 34085 1 1047 . 1 1 100 100 GLU CA C 13 56.475 . . 1 . . . . A 100 GLU CA . 34085 1 1048 . 1 1 100 100 GLU CB C 13 30.791 . . 1 . . . . A 100 GLU CB . 34085 1 1049 . 1 1 100 100 GLU CG C 13 36.417 . . 1 . . . . A 100 GLU CG . 34085 1 1050 . 1 1 100 100 GLU N N 15 122.316 . . 1 . . . . A 100 GLU N . 34085 1 1051 . 1 1 101 101 TYR H H 1 8.160 . . 1 . . . . A 101 TYR H . 34085 1 1052 . 1 1 101 101 TYR HA H 1 4.517 . . 1 . . . . A 101 TYR HA . 34085 1 1053 . 1 1 101 101 TYR HB2 H 1 2.897 . . 2 . . . . A 101 TYR HB2 . 34085 1 1054 . 1 1 101 101 TYR HB3 H 1 2.993 . . 2 . . . . A 101 TYR HB3 . 34085 1 1055 . 1 1 101 101 TYR C C 13 175.604 . . 1 . . . . A 101 TYR C . 34085 1 1056 . 1 1 101 101 TYR CA C 13 57.943 . . 1 . . . . A 101 TYR CA . 34085 1 1057 . 1 1 101 101 TYR CB C 13 39.082 . . 1 . . . . A 101 TYR CB . 34085 1 1058 . 1 1 101 101 TYR N N 15 120.721 . . 1 . . . . A 101 TYR N . 34085 1 1059 . 1 1 102 102 GLU H H 1 8.262 . . 1 . . . . A 102 GLU H . 34085 1 1060 . 1 1 102 102 GLU HA H 1 4.203 . . 1 . . . . A 102 GLU HA . 34085 1 1061 . 1 1 102 102 GLU HB2 H 1 1.938 . . 2 . . . . A 102 GLU HB2 . 34085 1 1062 . 1 1 102 102 GLU HB3 H 1 1.854 . . 2 . . . . A 102 GLU HB3 . 34085 1 1063 . 1 1 102 102 GLU HG2 H 1 2.181 . . 2 . . . . A 102 GLU HG2 . 34085 1 1064 . 1 1 102 102 GLU HG3 H 1 2.200 . . 2 . . . . A 102 GLU HG3 . 34085 1 1065 . 1 1 102 102 GLU C C 13 175.951 . . 1 . . . . A 102 GLU C . 34085 1 1066 . 1 1 102 102 GLU CA C 13 56.449 . . 1 . . . . A 102 GLU CA . 34085 1 1067 . 1 1 102 102 GLU CB C 13 30.519 . . 1 . . . . A 102 GLU CB . 34085 1 1068 . 1 1 102 102 GLU CG C 13 36.467 . . 1 . . . . A 102 GLU CG . 34085 1 1069 . 1 1 102 102 GLU N N 15 123.573 . . 1 . . . . A 102 GLU N . 34085 1 1070 . 1 1 103 103 GLU H H 1 8.526 . . 1 . . . . A 103 GLU H . 34085 1 1071 . 1 1 103 103 GLU HA H 1 4.130 . . 1 . . . . A 103 GLU HA . 34085 1 1072 . 1 1 103 103 GLU HB2 H 1 1.951 . . 2 . . . . A 103 GLU HB2 . 34085 1 1073 . 1 1 103 103 GLU HB3 H 1 2.006 . . 2 . . . . A 103 GLU HB3 . 34085 1 1074 . 1 1 103 103 GLU HG2 H 1 2.260 . . 2 . . . . A 103 GLU HG2 . 34085 1 1075 . 1 1 103 103 GLU HG3 H 1 2.277 . . 2 . . . . A 103 GLU HG3 . 34085 1 1076 . 1 1 103 103 GLU C C 13 177.152 . . 1 . . . . A 103 GLU C . 34085 1 1077 . 1 1 103 103 GLU CA C 13 57.318 . . 1 . . . . A 103 GLU CA . 34085 1 1078 . 1 1 103 103 GLU CB C 13 30.223 . . 1 . . . . A 103 GLU CB . 34085 1 1079 . 1 1 103 103 GLU CG C 13 36.427 . . 1 . . . . A 103 GLU CG . 34085 1 1080 . 1 1 103 103 GLU N N 15 122.867 . . 1 . . . . A 103 GLU N . 34085 1 1081 . 1 1 104 104 GLY H H 1 8.577 . . 1 . . . . A 104 GLY H . 34085 1 1082 . 1 1 104 104 GLY HA2 H 1 3.919 . . 2 . . . . A 104 GLY HA2 . 34085 1 1083 . 1 1 104 104 GLY HA3 H 1 3.886 . . 2 . . . . A 104 GLY HA3 . 34085 1 1084 . 1 1 104 104 GLY C C 13 173.876 . . 1 . . . . A 104 GLY C . 34085 1 1085 . 1 1 104 104 GLY CA C 13 45.433 . . 1 . . . . A 104 GLY CA . 34085 1 1086 . 1 1 104 104 GLY N N 15 110.376 . . 1 . . . . A 104 GLY N . 34085 1 1087 . 1 1 105 105 VAL H H 1 7.824 . . 1 . . . . A 105 VAL H . 34085 1 1088 . 1 1 105 105 VAL HA H 1 4.046 . . 1 . . . . A 105 VAL HA . 34085 1 1089 . 1 1 105 105 VAL HB H 1 1.919 . . 1 . . . . A 105 VAL HB . 34085 1 1090 . 1 1 105 105 VAL HG11 H 1 0.841 . . 2 . . . . A 105 VAL MG1 . 34085 1 1091 . 1 1 105 105 VAL HG12 H 1 0.841 . . 2 . . . . A 105 VAL MG1 . 34085 1 1092 . 1 1 105 105 VAL HG13 H 1 0.841 . . 2 . . . . A 105 VAL MG1 . 34085 1 1093 . 1 1 105 105 VAL HG21 H 1 0.843 . . 2 . . . . A 105 VAL MG2 . 34085 1 1094 . 1 1 105 105 VAL HG22 H 1 0.843 . . 2 . . . . A 105 VAL MG2 . 34085 1 1095 . 1 1 105 105 VAL HG23 H 1 0.843 . . 2 . . . . A 105 VAL MG2 . 34085 1 1096 . 1 1 105 105 VAL C C 13 175.777 . . 1 . . . . A 105 VAL C . 34085 1 1097 . 1 1 105 105 VAL CA C 13 62.631 . . 1 . . . . A 105 VAL CA . 34085 1 1098 . 1 1 105 105 VAL CB C 13 32.023 . . 1 . . . . A 105 VAL CB . 34085 1 1099 . 1 1 105 105 VAL CG1 C 13 21.138 . . 2 . . . . A 105 VAL CG1 . 34085 1 1100 . 1 1 105 105 VAL CG2 C 13 21.138 . . 2 . . . . A 105 VAL CG2 . 34085 1 1101 . 1 1 105 105 VAL N N 15 119.904 . . 1 . . . . A 105 VAL N . 34085 1 1102 . 1 1 106 106 ILE H H 1 8.409 . . 1 . . . . A 106 ILE H . 34085 1 1103 . 1 1 106 106 ILE HA H 1 4.047 . . 1 . . . . A 106 ILE HA . 34085 1 1104 . 1 1 106 106 ILE HB H 1 1.798 . . 1 . . . . A 106 ILE HB . 34085 1 1105 . 1 1 106 106 ILE HG12 H 1 1.137 . . 2 . . . . A 106 ILE HG12 . 34085 1 1106 . 1 1 106 106 ILE HG13 H 1 1.154 . . 2 . . . . A 106 ILE HG13 . 34085 1 1107 . 1 1 106 106 ILE HG21 H 1 0.860 . . 1 . . . . A 106 ILE MG . 34085 1 1108 . 1 1 106 106 ILE HG22 H 1 0.860 . . 1 . . . . A 106 ILE MG . 34085 1 1109 . 1 1 106 106 ILE HG23 H 1 0.860 . . 1 . . . . A 106 ILE MG . 34085 1 1110 . 1 1 106 106 ILE HD11 H 1 0.794 . . 1 . . . . A 106 ILE MD . 34085 1 1111 . 1 1 106 106 ILE HD12 H 1 0.794 . . 1 . . . . A 106 ILE MD . 34085 1 1112 . 1 1 106 106 ILE HD13 H 1 0.794 . . 1 . . . . A 106 ILE MD . 34085 1 1113 . 1 1 106 106 ILE C C 13 175.248 . . 1 . . . . A 106 ILE C . 34085 1 1114 . 1 1 106 106 ILE CA C 13 62.055 . . 1 . . . . A 106 ILE CA . 34085 1 1115 . 1 1 106 106 ILE CB C 13 38.294 . . 1 . . . . A 106 ILE CB . 34085 1 1116 . 1 1 106 106 ILE CG1 C 13 27.574 . . 1 . . . . A 106 ILE CG1 . 34085 1 1117 . 1 1 106 106 ILE CG2 C 13 17.647 . . 1 . . . . A 106 ILE CG2 . 34085 1 1118 . 1 1 106 106 ILE CD1 C 13 12.716 . . 1 . . . . A 106 ILE CD1 . 34085 1 1119 . 1 1 106 106 ILE N N 15 126.700 . . 1 . . . . A 106 ILE N . 34085 1 1120 . 1 1 107 107 ARG H H 1 8.118 . . 1 . . . . A 107 ARG H . 34085 1 1121 . 1 1 107 107 ARG HA H 1 4.136 . . 1 . . . . A 107 ARG HA . 34085 1 1122 . 1 1 107 107 ARG HB2 H 1 1.774 . . 2 . . . . A 107 ARG HB2 . 34085 1 1123 . 1 1 107 107 ARG HB3 H 1 1.642 . . 2 . . . . A 107 ARG HB3 . 34085 1 1124 . 1 1 107 107 ARG HG2 H 1 1.567 . . 2 . . . . A 107 ARG HG2 . 34085 1 1125 . 1 1 107 107 ARG HG3 H 1 1.510 . . 2 . . . . A 107 ARG HG3 . 34085 1 1126 . 1 1 107 107 ARG HD2 H 1 3.209 . . 2 . . . . A 107 ARG HD2 . 34085 1 1127 . 1 1 107 107 ARG HD3 H 1 3.178 . . 2 . . . . A 107 ARG HD3 . 34085 1 1128 . 1 1 107 107 ARG C C 13 180.817 . . 1 . . . . A 107 ARG C . 34085 1 1129 . 1 1 107 107 ARG CA C 13 58.299 . . 1 . . . . A 107 ARG CA . 34085 1 1130 . 1 1 107 107 ARG CB C 13 31.713 . . 1 . . . . A 107 ARG CB . 34085 1 1131 . 1 1 107 107 ARG CG C 13 27.250 . . 1 . . . . A 107 ARG CG . 34085 1 1132 . 1 1 107 107 ARG CD C 13 43.679 . . 1 . . . . A 107 ARG CD . 34085 1 1133 . 1 1 107 107 ARG N N 15 131.766 . . 1 . . . . A 107 ARG N . 34085 1 stop_ save_