data_34126 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34126 _Entry.Title ; NMR structure and 1H, 13C and 15N signal assignments for Dictyostelium discoideum MATA protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-22 _Entry.Accession_date 2017-04-22 _Entry.Last_release_date 2017-04-24 _Entry.Original_release_date 2017-04-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 D. Neuhaus D. . . . 34126 2 K. Hedgethorne K. . . . 34126 3 J.-C. Yang . . . . 34126 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding protein' . 34126 Homeobox . 34126 'Mating type determination factor' . 34126 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34126 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 34126 '15N chemical shifts' 120 34126 '1H chemical shifts' 834 34126 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-09-13 . original BMRB . 34126 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34127 'Dictyostelium discoidans MATB protein' 34126 PDB 5NR5 'BMRB Entry Tracking System' 34126 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34126 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1126/sciadv.1602937 _Citation.PubMed_ID 28879231 _Citation.Full_citation . _Citation.Title ; Homeodomain-like DNA binding proteins control the haploid-to-diploid transition in Dictyostelium. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 3 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 e1602937 _Citation.Page_last e1602937 _Citation.Year 2017 _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 Katy Hedgethorne K. . . . 34126 1 2 Sebastian Eustermann S. . . . 34126 1 3 Ji-Chun Yang J. C. . . 34126 1 4 Tom Ogden . . . . 34126 1 5 David Neuhaus D. . . . 34126 1 6 Gareth Bloomfield G. . . . 34126 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34126 _Assembly.ID 1 _Assembly.Name 'MatA 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 . . . . . . 34126 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34126 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASMDPLDKIINDIKKE ANDSGVTLAPLSVPKPKLEE LSEQQKIILAEYIAEVGLQN ITAITLSKKLNITVEKAKNY IKNSNRLGRTNNLKTIGILQ EEVSSMEAKSMTW ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12510.442 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -5 GLY . 34126 1 2 -4 SER . 34126 1 3 -3 HIS . 34126 1 4 -2 MET . 34126 1 5 -1 ALA . 34126 1 6 0 SER . 34126 1 7 1 MET . 34126 1 8 2 ASP . 34126 1 9 3 PRO . 34126 1 10 4 LEU . 34126 1 11 5 ASP . 34126 1 12 6 LYS . 34126 1 13 7 ILE . 34126 1 14 8 ILE . 34126 1 15 9 ASN . 34126 1 16 10 ASP . 34126 1 17 11 ILE . 34126 1 18 12 LYS . 34126 1 19 13 LYS . 34126 1 20 14 GLU . 34126 1 21 15 ALA . 34126 1 22 16 ASN . 34126 1 23 17 ASP . 34126 1 24 18 SER . 34126 1 25 19 GLY . 34126 1 26 20 VAL . 34126 1 27 21 THR . 34126 1 28 22 LEU . 34126 1 29 23 ALA . 34126 1 30 24 PRO . 34126 1 31 25 LEU . 34126 1 32 26 SER . 34126 1 33 27 VAL . 34126 1 34 28 PRO . 34126 1 35 29 LYS . 34126 1 36 30 PRO . 34126 1 37 31 LYS . 34126 1 38 32 LEU . 34126 1 39 33 GLU . 34126 1 40 34 GLU . 34126 1 41 35 LEU . 34126 1 42 36 SER . 34126 1 43 37 GLU . 34126 1 44 38 GLN . 34126 1 45 39 GLN . 34126 1 46 40 LYS . 34126 1 47 41 ILE . 34126 1 48 42 ILE . 34126 1 49 43 LEU . 34126 1 50 44 ALA . 34126 1 51 45 GLU . 34126 1 52 46 TYR . 34126 1 53 47 ILE . 34126 1 54 48 ALA . 34126 1 55 49 GLU . 34126 1 56 50 VAL . 34126 1 57 51 GLY . 34126 1 58 52 LEU . 34126 1 59 53 GLN . 34126 1 60 54 ASN . 34126 1 61 55 ILE . 34126 1 62 56 THR . 34126 1 63 57 ALA . 34126 1 64 58 ILE . 34126 1 65 59 THR . 34126 1 66 60 LEU . 34126 1 67 61 SER . 34126 1 68 62 LYS . 34126 1 69 63 LYS . 34126 1 70 64 LEU . 34126 1 71 65 ASN . 34126 1 72 66 ILE . 34126 1 73 67 THR . 34126 1 74 68 VAL . 34126 1 75 69 GLU . 34126 1 76 70 LYS . 34126 1 77 71 ALA . 34126 1 78 72 LYS . 34126 1 79 73 ASN . 34126 1 80 74 TYR . 34126 1 81 75 ILE . 34126 1 82 76 LYS . 34126 1 83 77 ASN . 34126 1 84 78 SER . 34126 1 85 79 ASN . 34126 1 86 80 ARG . 34126 1 87 81 LEU . 34126 1 88 82 GLY . 34126 1 89 83 ARG . 34126 1 90 84 THR . 34126 1 91 85 ASN . 34126 1 92 86 ASN . 34126 1 93 87 LEU . 34126 1 94 88 LYS . 34126 1 95 89 THR . 34126 1 96 90 ILE . 34126 1 97 91 GLY . 34126 1 98 92 ILE . 34126 1 99 93 LEU . 34126 1 100 94 GLN . 34126 1 101 95 GLU . 34126 1 102 96 GLU . 34126 1 103 97 VAL . 34126 1 104 98 SER . 34126 1 105 99 SER . 34126 1 106 100 MET . 34126 1 107 101 GLU . 34126 1 108 102 ALA . 34126 1 109 103 LYS . 34126 1 110 104 SER . 34126 1 111 105 MET . 34126 1 112 106 THR . 34126 1 113 107 TRP . 34126 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 34126 1 . SER 2 2 34126 1 . HIS 3 3 34126 1 . MET 4 4 34126 1 . ALA 5 5 34126 1 . SER 6 6 34126 1 . MET 7 7 34126 1 . ASP 8 8 34126 1 . PRO 9 9 34126 1 . LEU 10 10 34126 1 . ASP 11 11 34126 1 . LYS 12 12 34126 1 . ILE 13 13 34126 1 . ILE 14 14 34126 1 . ASN 15 15 34126 1 . ASP 16 16 34126 1 . ILE 17 17 34126 1 . LYS 18 18 34126 1 . LYS 19 19 34126 1 . GLU 20 20 34126 1 . ALA 21 21 34126 1 . ASN 22 22 34126 1 . ASP 23 23 34126 1 . SER 24 24 34126 1 . GLY 25 25 34126 1 . VAL 26 26 34126 1 . THR 27 27 34126 1 . LEU 28 28 34126 1 . ALA 29 29 34126 1 . PRO 30 30 34126 1 . LEU 31 31 34126 1 . SER 32 32 34126 1 . VAL 33 33 34126 1 . PRO 34 34 34126 1 . LYS 35 35 34126 1 . PRO 36 36 34126 1 . LYS 37 37 34126 1 . LEU 38 38 34126 1 . GLU 39 39 34126 1 . GLU 40 40 34126 1 . LEU 41 41 34126 1 . SER 42 42 34126 1 . GLU 43 43 34126 1 . GLN 44 44 34126 1 . GLN 45 45 34126 1 . LYS 46 46 34126 1 . ILE 47 47 34126 1 . ILE 48 48 34126 1 . LEU 49 49 34126 1 . ALA 50 50 34126 1 . GLU 51 51 34126 1 . TYR 52 52 34126 1 . ILE 53 53 34126 1 . ALA 54 54 34126 1 . GLU 55 55 34126 1 . VAL 56 56 34126 1 . GLY 57 57 34126 1 . LEU 58 58 34126 1 . GLN 59 59 34126 1 . ASN 60 60 34126 1 . ILE 61 61 34126 1 . THR 62 62 34126 1 . ALA 63 63 34126 1 . ILE 64 64 34126 1 . THR 65 65 34126 1 . LEU 66 66 34126 1 . SER 67 67 34126 1 . LYS 68 68 34126 1 . LYS 69 69 34126 1 . LEU 70 70 34126 1 . ASN 71 71 34126 1 . ILE 72 72 34126 1 . THR 73 73 34126 1 . VAL 74 74 34126 1 . GLU 75 75 34126 1 . LYS 76 76 34126 1 . ALA 77 77 34126 1 . LYS 78 78 34126 1 . ASN 79 79 34126 1 . TYR 80 80 34126 1 . ILE 81 81 34126 1 . LYS 82 82 34126 1 . ASN 83 83 34126 1 . SER 84 84 34126 1 . ASN 85 85 34126 1 . ARG 86 86 34126 1 . LEU 87 87 34126 1 . GLY 88 88 34126 1 . ARG 89 89 34126 1 . THR 90 90 34126 1 . ASN 91 91 34126 1 . ASN 92 92 34126 1 . LEU 93 93 34126 1 . LYS 94 94 34126 1 . THR 95 95 34126 1 . ILE 96 96 34126 1 . GLY 97 97 34126 1 . ILE 98 98 34126 1 . LEU 99 99 34126 1 . GLN 100 100 34126 1 . GLU 101 101 34126 1 . GLU 102 102 34126 1 . VAL 103 103 34126 1 . SER 104 104 34126 1 . SER 105 105 34126 1 . MET 106 106 34126 1 . GLU 107 107 34126 1 . ALA 108 108 34126 1 . LYS 109 109 34126 1 . SER 110 110 34126 1 . MET 111 111 34126 1 . THR 112 112 34126 1 . TRP 113 113 34126 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 34126 _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 . 44689 organism . 'Dictyostelium discoideum' 'Slime mold' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . 'matA, DDB0188291' . 34126 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 34126 _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 . . . . . . . . pET28a . . . 34126 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34126 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '600 uM [U-15N] MATA, 50 mM [U-2H] TRIS, 100 mM sodium chloride, 1 mM [U-2H] DTT, 50 uM EDTA, 95% H2O/5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DTT [U-2H] . . . . . . 1 . . mM . . . . 34126 1 2 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 34126 1 3 MATA [U-15N] . . 1 $entity_1 . . 600 . . uM 100 . . . 34126 1 4 TRIS [U-2H] . . . . . . 50 . . mM . . . . 34126 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34126 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34126 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '600 uM [U-13C; U-15N] MATA, 50 mM [U-2H] TRIS, 100 mM sodium chloride, 1 mM [U-2H] DTT, 50 uM EDTA, 95% H2O/5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DTT [U-2H] . . . . . . 1 . . mM . . . . 34126 2 2 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 34126 2 3 MATA '[U-13C; U-15N]' . . 1 $entity_1 . . 600 . . uM 100 . . . 34126 2 4 TRIS [U-2H] . . . . . . 50 . . mM . . . . 34126 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34126 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 34126 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34126 1 pH 7.0 . pH 34126 1 pressure 1 . atm 34126 1 temperature 288 . K 34126 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34126 _Software.ID 1 _Software.Name AMBER _Software.Version 11 _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' . . 34126 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34126 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34126 _Software.ID 2 _Software.Name CcpNMR _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34126 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34126 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34126 _Software.ID 3 _Software.Name TOPSPIN _Software.Version '3.1 and 3.2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34126 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34126 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34126 _Software.ID 4 _Software.Name UNIO _Software.Version 2.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Herrmann . . 34126 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34126 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34126 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.28 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34126 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34126 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 34126 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34126 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34126 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 34126 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 34126 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 34126 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34126 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34126 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34126 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34126 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34126 1 6 '3D HNHAHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34126 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34126 1 8 '3D [1H-13C-1H] HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34126 1 9 '3D [13C-13C-1H] HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34126 1 10 '3D [1H-13C-1H] HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34126 1 11 '3D 1H-15N NOESY (mix. time 150ms)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34126 1 12 '3D 1H-13C NOESY aliphatic (mix. time 150ms)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34126 1 13 '3D 1H-13C NOESY aromatic (mix. time 150ms)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34126 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 34126 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; A small correction of -0.65 ppm was added to all 15N shifts in order to comply with the validation report. N.B. The indirect ratio given below for 15N does not reflect this additional correction. ; 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 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 34126 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 34126 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 34126 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 34126 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34126 1 2 '2D 1H-13C HSQC' . . . 34126 1 3 '2D 1H-13C HSQC aliphatic' . . . 34126 1 4 '3D HNCACB' . . . 34126 1 5 '3D CBCA(CO)NH' . . . 34126 1 6 '3D HNHAHB' . . . 34126 1 7 '3D HBHA(CO)NH' . . . 34126 1 8 '3D [1H-13C-1H] HCCH-TOCSY' . . . 34126 1 9 '3D [13C-13C-1H] HCCH-TOCSY' . . . 34126 1 10 '3D [1H-13C-1H] HCCH-COSY' . . . 34126 1 11 '3D 1H-15N NOESY (mix. time 150ms)' . . . 34126 1 12 '3D 1H-13C NOESY aliphatic (mix. time 150ms)' . . . 34126 1 13 '3D 1H-13C NOESY aromatic (mix. time 150ms)' . . . 34126 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.857 0.020 . 1 . . . A -5 GLY HA2 . 34126 1 2 . 1 1 1 1 GLY HA3 H 1 3.857 0.020 . 1 . . . A -5 GLY HA3 . 34126 1 3 . 1 1 1 1 GLY CA C 13 43.647 0.100 . 1 . . . A -5 GLY CA . 34126 1 4 . 1 1 2 2 SER HA H 1 4.498 0.020 . 1 . . . A -4 SER HA . 34126 1 5 . 1 1 2 2 SER HB2 H 1 3.840 0.020 . 1 . . . A -4 SER HB2 . 34126 1 6 . 1 1 2 2 SER HB3 H 1 3.840 0.020 . 1 . . . A -4 SER HB3 . 34126 1 7 . 1 1 2 2 SER CA C 13 58.275 0.100 . 1 . . . A -4 SER CA . 34126 1 8 . 1 1 2 2 SER CB C 13 63.914 0.100 . 1 . . . A -4 SER CB . 34126 1 9 . 1 1 3 3 HIS HA H 1 4.644 0.020 . 1 . . . A -3 HIS HA . 34126 1 10 . 1 1 3 3 HIS HB2 H 1 3.121 0.020 . 1 . . . A -3 HIS HB2 . 34126 1 11 . 1 1 3 3 HIS HB3 H 1 3.121 0.020 . 1 . . . A -3 HIS HB3 . 34126 1 12 . 1 1 3 3 HIS HD2 H 1 7.031 0.020 . 1 . . . A -3 HIS HD2 . 34126 1 13 . 1 1 3 3 HIS HE1 H 1 7.869 0.020 . 1 . . . A -3 HIS HE1 . 34126 1 14 . 1 1 3 3 HIS CA C 13 56.481 0.100 . 1 . . . A -3 HIS CA . 34126 1 15 . 1 1 3 3 HIS CB C 13 30.567 0.100 . 1 . . . A -3 HIS CB . 34126 1 16 . 1 1 3 3 HIS CD2 C 13 119.922 0.100 . 1 . . . A -3 HIS CD2 . 34126 1 17 . 1 1 3 3 HIS CE1 C 13 138.584 0.100 . 1 . . . A -3 HIS CE1 . 34126 1 18 . 1 1 4 4 MET H H 1 8.352 0.020 . 1 . . . A -2 MET H . 34126 1 19 . 1 1 4 4 MET HA H 1 4.433 0.020 . 1 . . . A -2 MET HA . 34126 1 20 . 1 1 4 4 MET HB2 H 1 1.939 0.020 . 2 . . . A -2 MET HB2 . 34126 1 21 . 1 1 4 4 MET HB3 H 1 2.053 0.020 . 2 . . . A -2 MET HB3 . 34126 1 22 . 1 1 4 4 MET HG2 H 1 2.524 0.020 . 2 . . . A -2 MET HG2 . 34126 1 23 . 1 1 4 4 MET HG3 H 1 2.460 0.020 . 2 . . . A -2 MET HG3 . 34126 1 24 . 1 1 4 4 MET CA C 13 55.307 0.100 . 1 . . . A -2 MET CA . 34126 1 25 . 1 1 4 4 MET CB C 13 32.831 0.100 . 1 . . . A -2 MET CB . 34126 1 26 . 1 1 4 4 MET CG C 13 31.968 0.100 . 1 . . . A -2 MET CG . 34126 1 27 . 1 1 4 4 MET N N 15 121.642 0.100 . 1 . . . A -2 MET N . 34126 1 28 . 1 1 5 5 ALA H H 1 8.441 0.020 . 1 . . . A -1 ALA H . 34126 1 29 . 1 1 5 5 ALA HA H 1 4.316 0.020 . 1 . . . A -1 ALA HA . 34126 1 30 . 1 1 5 5 ALA HB1 H 1 1.415 0.020 . 1 . . . A -1 ALA HB1 . 34126 1 31 . 1 1 5 5 ALA HB2 H 1 1.415 0.020 . 1 . . . A -1 ALA HB2 . 34126 1 32 . 1 1 5 5 ALA HB3 H 1 1.415 0.020 . 1 . . . A -1 ALA HB3 . 34126 1 33 . 1 1 5 5 ALA CA C 13 52.658 0.100 . 1 . . . A -1 ALA CA . 34126 1 34 . 1 1 5 5 ALA CB C 13 19.211 0.100 . 1 . . . A -1 ALA CB . 34126 1 35 . 1 1 5 5 ALA N N 15 124.982 0.100 . 1 . . . A -1 ALA N . 34126 1 36 . 1 1 6 6 SER H H 1 8.310 0.020 . 1 . . . A 0 SER H . 34126 1 37 . 1 1 6 6 SER HA H 1 4.423 0.020 . 1 . . . A 0 SER HA . 34126 1 38 . 1 1 6 6 SER HB2 H 1 3.881 0.020 . 2 . . . A 0 SER HB2 . 34126 1 39 . 1 1 6 6 SER HB3 H 1 3.881 0.020 . 2 . . . A 0 SER HB3 . 34126 1 40 . 1 1 6 6 SER CA C 13 58.208 0.100 . 1 . . . A 0 SER CA . 34126 1 41 . 1 1 6 6 SER CB C 13 63.745 0.100 . 1 . . . A 0 SER CB . 34126 1 42 . 1 1 6 6 SER N N 15 114.158 0.100 . 1 . . . A 0 SER N . 34126 1 43 . 1 1 7 7 MET H H 1 8.428 0.020 . 1 . . . A 1 MET H . 34126 1 44 . 1 1 7 7 MET HA H 1 4.517 0.020 . 1 . . . A 1 MET HA . 34126 1 45 . 1 1 7 7 MET HB2 H 1 2.115 0.020 . 2 . . . A 1 MET HB2 . 34126 1 46 . 1 1 7 7 MET HB3 H 1 1.978 0.020 . 2 . . . A 1 MET HB3 . 34126 1 47 . 1 1 7 7 MET HG2 H 1 2.537 0.020 . 2 . . . A 1 MET HG2 . 34126 1 48 . 1 1 7 7 MET HG3 H 1 2.602 0.020 . 2 . . . A 1 MET HG3 . 34126 1 49 . 1 1 7 7 MET CA C 13 55.117 0.100 . 1 . . . A 1 MET CA . 34126 1 50 . 1 1 7 7 MET CB C 13 32.977 0.100 . 1 . . . A 1 MET CB . 34126 1 51 . 1 1 7 7 MET CG C 13 31.952 0.100 . 1 . . . A 1 MET CG . 34126 1 52 . 1 1 7 7 MET N N 15 121.709 0.100 . 1 . . . A 1 MET N . 34126 1 53 . 1 1 8 8 ASP H H 1 8.491 0.020 . 1 . . . A 2 ASP H . 34126 1 54 . 1 1 8 8 ASP HA H 1 4.854 0.020 . 1 . . . A 2 ASP HA . 34126 1 55 . 1 1 8 8 ASP HB2 H 1 2.547 0.020 . 2 . . . A 2 ASP HB2 . 34126 1 56 . 1 1 8 8 ASP HB3 H 1 2.776 0.020 . 2 . . . A 2 ASP HB3 . 34126 1 57 . 1 1 8 8 ASP CA C 13 52.395 0.100 . 1 . . . A 2 ASP CA . 34126 1 58 . 1 1 8 8 ASP CB C 13 41.235 0.100 . 1 . . . A 2 ASP CB . 34126 1 59 . 1 1 8 8 ASP N N 15 123.452 0.100 . 1 . . . A 2 ASP N . 34126 1 60 . 1 1 9 9 PRO HA H 1 4.384 0.020 . 1 . . . A 3 PRO HA . 34126 1 61 . 1 1 9 9 PRO HB2 H 1 1.970 0.020 . 2 . . . A 3 PRO HB2 . 34126 1 62 . 1 1 9 9 PRO HB3 H 1 2.338 0.020 . 2 . . . A 3 PRO HB3 . 34126 1 63 . 1 1 9 9 PRO HG2 H 1 2.053 0.020 . 1 . . . A 3 PRO HG2 . 34126 1 64 . 1 1 9 9 PRO HG3 H 1 2.053 0.020 . 1 . . . A 3 PRO HG3 . 34126 1 65 . 1 1 9 9 PRO HD2 H 1 3.902 0.020 . 2 . . . A 3 PRO HD2 . 34126 1 66 . 1 1 9 9 PRO HD3 H 1 3.811 0.020 . 2 . . . A 3 PRO HD3 . 34126 1 67 . 1 1 9 9 PRO CA C 13 63.738 0.100 . 1 . . . A 3 PRO CA . 34126 1 68 . 1 1 9 9 PRO CB C 13 32.191 0.100 . 1 . . . A 3 PRO CB . 34126 1 69 . 1 1 9 9 PRO CG C 13 27.349 0.100 . 1 . . . A 3 PRO CG . 34126 1 70 . 1 1 9 9 PRO CD C 13 50.848 0.100 . 1 . . . A 3 PRO CD . 34126 1 71 . 1 1 10 10 LEU H H 1 8.499 0.020 . 1 . . . A 4 LEU H . 34126 1 72 . 1 1 10 10 LEU HA H 1 4.257 0.020 . 1 . . . A 4 LEU HA . 34126 1 73 . 1 1 10 10 LEU HB2 H 1 1.573 0.020 . 2 . . . A 4 LEU HB2 . 34126 1 74 . 1 1 10 10 LEU HB3 H 1 1.714 0.020 . 2 . . . A 4 LEU HB3 . 34126 1 75 . 1 1 10 10 LEU HG H 1 1.667 0.020 . 1 . . . A 4 LEU HG . 34126 1 76 . 1 1 10 10 LEU HD11 H 1 0.875 0.020 . 2 . . . A 4 LEU HD11 . 34126 1 77 . 1 1 10 10 LEU HD12 H 1 0.875 0.020 . 2 . . . A 4 LEU HD12 . 34126 1 78 . 1 1 10 10 LEU HD13 H 1 0.875 0.020 . 2 . . . A 4 LEU HD13 . 34126 1 79 . 1 1 10 10 LEU HD21 H 1 0.933 0.020 . 2 . . . A 4 LEU HD21 . 34126 1 80 . 1 1 10 10 LEU HD22 H 1 0.933 0.020 . 2 . . . A 4 LEU HD22 . 34126 1 81 . 1 1 10 10 LEU HD23 H 1 0.933 0.020 . 2 . . . A 4 LEU HD23 . 34126 1 82 . 1 1 10 10 LEU CA C 13 55.692 0.100 . 1 . . . A 4 LEU CA . 34126 1 83 . 1 1 10 10 LEU CB C 13 41.613 0.100 . 1 . . . A 4 LEU CB . 34126 1 84 . 1 1 10 10 LEU CG C 13 27.026 0.100 . 1 . . . A 4 LEU CG . 34126 1 85 . 1 1 10 10 LEU CD1 C 13 23.172 0.100 . 2 . . . A 4 LEU CD1 . 34126 1 86 . 1 1 10 10 LEU CD2 C 13 24.937 0.100 . 2 . . . A 4 LEU CD2 . 34126 1 87 . 1 1 10 10 LEU N N 15 119.820 0.100 . 1 . . . A 4 LEU N . 34126 1 88 . 1 1 11 11 ASP H H 1 8.086 0.020 . 1 . . . A 5 ASP H . 34126 1 89 . 1 1 11 11 ASP HA H 1 4.534 0.020 . 1 . . . A 5 ASP HA . 34126 1 90 . 1 1 11 11 ASP HB2 H 1 2.686 0.020 . 1 . . . A 5 ASP HB2 . 34126 1 91 . 1 1 11 11 ASP HB3 H 1 2.686 0.020 . 1 . . . A 5 ASP HB3 . 34126 1 92 . 1 1 11 11 ASP CA C 13 54.829 0.100 . 1 . . . A 5 ASP CA . 34126 1 93 . 1 1 11 11 ASP CB C 13 40.937 0.100 . 1 . . . A 5 ASP CB . 34126 1 94 . 1 1 11 11 ASP N N 15 119.219 0.100 . 1 . . . A 5 ASP N . 34126 1 95 . 1 1 12 12 LYS H H 1 7.997 0.020 . 1 . . . A 6 LYS H . 34126 1 96 . 1 1 12 12 LYS HA H 1 4.257 0.020 . 1 . . . A 6 LYS HA . 34126 1 97 . 1 1 12 12 LYS HB2 H 1 1.840 0.020 . 2 . . . A 6 LYS HB2 . 34126 1 98 . 1 1 12 12 LYS HB3 H 1 1.760 0.020 . 2 . . . A 6 LYS HB3 . 34126 1 99 . 1 1 12 12 LYS HG2 H 1 1.461 0.020 . 2 . . . A 6 LYS HG2 . 34126 1 100 . 1 1 12 12 LYS HG3 H 1 1.393 0.020 . 2 . . . A 6 LYS HG3 . 34126 1 101 . 1 1 12 12 LYS HD2 H 1 1.688 0.020 . 1 . . . A 6 LYS HD2 . 34126 1 102 . 1 1 12 12 LYS HD3 H 1 1.688 0.020 . 1 . . . A 6 LYS HD3 . 34126 1 103 . 1 1 12 12 LYS HE2 H 1 2.990 0.020 . 1 . . . A 6 LYS HE2 . 34126 1 104 . 1 1 12 12 LYS HE3 H 1 2.990 0.020 . 1 . . . A 6 LYS HE3 . 34126 1 105 . 1 1 12 12 LYS CA C 13 56.691 0.100 . 1 . . . A 6 LYS CA . 34126 1 106 . 1 1 12 12 LYS CB C 13 32.752 0.100 . 1 . . . A 6 LYS CB . 34126 1 107 . 1 1 12 12 LYS CG C 13 24.746 0.100 . 1 . . . A 6 LYS CG . 34126 1 108 . 1 1 12 12 LYS CD C 13 29.099 0.100 . 1 . . . A 6 LYS CD . 34126 1 109 . 1 1 12 12 LYS CE C 13 42.139 0.100 . 1 . . . A 6 LYS CE . 34126 1 110 . 1 1 12 12 LYS N N 15 120.150 0.100 . 1 . . . A 6 LYS N . 34126 1 111 . 1 1 13 13 ILE H H 1 8.088 0.020 . 1 . . . A 7 ILE H . 34126 1 112 . 1 1 13 13 ILE HA H 1 4.086 0.020 . 1 . . . A 7 ILE HA . 34126 1 113 . 1 1 13 13 ILE HB H 1 1.891 0.020 . 1 . . . A 7 ILE HB . 34126 1 114 . 1 1 13 13 ILE HG12 H 1 1.492 0.020 . 2 . . . A 7 ILE HG12 . 34126 1 115 . 1 1 13 13 ILE HG13 H 1 1.195 0.020 . 2 . . . A 7 ILE HG13 . 34126 1 116 . 1 1 13 13 ILE HG21 H 1 0.899 0.020 . 1 . . . A 7 ILE HG21 . 34126 1 117 . 1 1 13 13 ILE HG22 H 1 0.899 0.020 . 1 . . . A 7 ILE HG22 . 34126 1 118 . 1 1 13 13 ILE HG23 H 1 0.899 0.020 . 1 . . . A 7 ILE HG23 . 34126 1 119 . 1 1 13 13 ILE HD11 H 1 0.874 0.020 . 1 . . . A 7 ILE HD11 . 34126 1 120 . 1 1 13 13 ILE HD12 H 1 0.874 0.020 . 1 . . . A 7 ILE HD12 . 34126 1 121 . 1 1 13 13 ILE HD13 H 1 0.874 0.020 . 1 . . . A 7 ILE HD13 . 34126 1 122 . 1 1 13 13 ILE CA C 13 61.646 0.100 . 1 . . . A 7 ILE CA . 34126 1 123 . 1 1 13 13 ILE CB C 13 38.250 0.100 . 1 . . . A 7 ILE CB . 34126 1 124 . 1 1 13 13 ILE CG1 C 13 27.421 0.100 . 1 . . . A 7 ILE CG1 . 34126 1 125 . 1 1 13 13 ILE CG2 C 13 17.479 0.100 . 1 . . . A 7 ILE CG2 . 34126 1 126 . 1 1 13 13 ILE CD1 C 13 12.711 0.100 . 1 . . . A 7 ILE CD1 . 34126 1 127 . 1 1 13 13 ILE N N 15 121.384 0.100 . 1 . . . A 7 ILE N . 34126 1 128 . 1 1 14 14 ILE H H 1 8.257 0.020 . 1 . . . A 8 ILE H . 34126 1 129 . 1 1 14 14 ILE HA H 1 4.115 0.020 . 1 . . . A 8 ILE HA . 34126 1 130 . 1 1 14 14 ILE HB H 1 1.882 0.020 . 1 . . . A 8 ILE HB . 34126 1 131 . 1 1 14 14 ILE HG12 H 1 1.215 0.020 . 2 . . . A 8 ILE HG12 . 34126 1 132 . 1 1 14 14 ILE HG13 H 1 1.513 0.020 . 2 . . . A 8 ILE HG13 . 34126 1 133 . 1 1 14 14 ILE HG21 H 1 0.896 0.020 . 1 . . . A 8 ILE HG21 . 34126 1 134 . 1 1 14 14 ILE HG22 H 1 0.896 0.020 . 1 . . . A 8 ILE HG22 . 34126 1 135 . 1 1 14 14 ILE HG23 H 1 0.896 0.020 . 1 . . . A 8 ILE HG23 . 34126 1 136 . 1 1 14 14 ILE HD11 H 1 0.851 0.020 . 1 . . . A 8 ILE HD11 . 34126 1 137 . 1 1 14 14 ILE HD12 H 1 0.851 0.020 . 1 . . . A 8 ILE HD12 . 34126 1 138 . 1 1 14 14 ILE HD13 H 1 0.851 0.020 . 1 . . . A 8 ILE HD13 . 34126 1 139 . 1 1 14 14 ILE CA C 13 61.323 0.100 . 1 . . . A 8 ILE CA . 34126 1 140 . 1 1 14 14 ILE CB C 13 38.445 0.100 . 1 . . . A 8 ILE CB . 34126 1 141 . 1 1 14 14 ILE CG1 C 13 27.422 0.100 . 1 . . . A 8 ILE CG1 . 34126 1 142 . 1 1 14 14 ILE CG2 C 13 17.468 0.100 . 1 . . . A 8 ILE CG2 . 34126 1 143 . 1 1 14 14 ILE CD1 C 13 12.714 0.100 . 1 . . . A 8 ILE CD1 . 34126 1 144 . 1 1 14 14 ILE N N 15 124.035 0.100 . 1 . . . A 8 ILE N . 34126 1 145 . 1 1 15 15 ASN H H 1 8.480 0.020 . 1 . . . A 9 ASN H . 34126 1 146 . 1 1 15 15 ASN HA H 1 4.694 0.020 . 1 . . . A 9 ASN HA . 34126 1 147 . 1 1 15 15 ASN HB2 H 1 2.809 0.020 . 2 . . . A 9 ASN HB2 . 34126 1 148 . 1 1 15 15 ASN HB3 H 1 2.734 0.020 . 2 . . . A 9 ASN HB3 . 34126 1 149 . 1 1 15 15 ASN HD21 H 1 7.675 0.020 . 2 . . . A 9 ASN HD21 . 34126 1 150 . 1 1 15 15 ASN HD22 H 1 6.949 0.020 . 2 . . . A 9 ASN HD22 . 34126 1 151 . 1 1 15 15 ASN CA C 13 53.479 0.100 . 1 . . . A 9 ASN CA . 34126 1 152 . 1 1 15 15 ASN CB C 13 39.083 0.100 . 1 . . . A 9 ASN CB . 34126 1 153 . 1 1 15 15 ASN N N 15 122.048 0.100 . 1 . . . A 9 ASN N . 34126 1 154 . 1 1 15 15 ASN ND2 N 15 112.527 0.100 . 1 . . . A 9 ASN ND2 . 34126 1 155 . 1 1 16 16 ASP H H 1 8.370 0.020 . 1 . . . A 10 ASP H . 34126 1 156 . 1 1 16 16 ASP HA H 1 4.598 0.020 . 1 . . . A 10 ASP HA . 34126 1 157 . 1 1 16 16 ASP HB2 H 1 2.685 0.020 . 2 . . . A 10 ASP HB2 . 34126 1 158 . 1 1 16 16 ASP HB3 H 1 2.634 0.020 . 2 . . . A 10 ASP HB3 . 34126 1 159 . 1 1 16 16 ASP CA C 13 54.490 0.100 . 1 . . . A 10 ASP CA . 34126 1 160 . 1 1 16 16 ASP CB C 13 40.961 0.100 . 1 . . . A 10 ASP CB . 34126 1 161 . 1 1 16 16 ASP N N 15 120.791 0.100 . 1 . . . A 10 ASP N . 34126 1 162 . 1 1 17 17 ILE H H 1 8.083 0.020 . 1 . . . A 11 ILE H . 34126 1 163 . 1 1 17 17 ILE HA H 1 4.097 0.020 . 1 . . . A 11 ILE HA . 34126 1 164 . 1 1 17 17 ILE HB H 1 1.897 0.020 . 1 . . . A 11 ILE HB . 34126 1 165 . 1 1 17 17 ILE HG12 H 1 1.212 0.020 . 2 . . . A 11 ILE HG12 . 34126 1 166 . 1 1 17 17 ILE HG13 H 1 1.527 0.020 . 2 . . . A 11 ILE HG13 . 34126 1 167 . 1 1 17 17 ILE HG21 H 1 0.896 0.020 . 1 . . . A 11 ILE HG21 . 34126 1 168 . 1 1 17 17 ILE HG22 H 1 0.896 0.020 . 1 . . . A 11 ILE HG22 . 34126 1 169 . 1 1 17 17 ILE HG23 H 1 0.896 0.020 . 1 . . . A 11 ILE HG23 . 34126 1 170 . 1 1 17 17 ILE HD11 H 1 0.861 0.020 . 1 . . . A 11 ILE HD11 . 34126 1 171 . 1 1 17 17 ILE HD12 H 1 0.861 0.020 . 1 . . . A 11 ILE HD12 . 34126 1 172 . 1 1 17 17 ILE HD13 H 1 0.861 0.020 . 1 . . . A 11 ILE HD13 . 34126 1 173 . 1 1 17 17 ILE CA C 13 61.630 0.100 . 1 . . . A 11 ILE CA . 34126 1 174 . 1 1 17 17 ILE CB C 13 38.443 0.100 . 1 . . . A 11 ILE CB . 34126 1 175 . 1 1 17 17 ILE CG1 C 13 27.611 0.100 . 1 . . . A 11 ILE CG1 . 34126 1 176 . 1 1 17 17 ILE CG2 C 13 17.468 0.100 . 1 . . . A 11 ILE CG2 . 34126 1 177 . 1 1 17 17 ILE CD1 C 13 12.716 0.100 . 1 . . . A 11 ILE CD1 . 34126 1 178 . 1 1 17 17 ILE N N 15 120.879 0.100 . 1 . . . A 11 ILE N . 34126 1 179 . 1 1 18 18 LYS H H 1 8.401 0.020 . 1 . . . A 12 LYS H . 34126 1 180 . 1 1 18 18 LYS HA H 1 4.283 0.020 . 1 . . . A 12 LYS HA . 34126 1 181 . 1 1 18 18 LYS HB2 H 1 1.854 0.020 . 2 . . . A 12 LYS HB2 . 34126 1 182 . 1 1 18 18 LYS HB3 H 1 1.803 0.020 . 2 . . . A 12 LYS HB3 . 34126 1 183 . 1 1 18 18 LYS HG2 H 1 1.408 0.020 . 1 . . . A 12 LYS HG2 . 34126 1 184 . 1 1 18 18 LYS HG3 H 1 1.408 0.020 . 1 . . . A 12 LYS HG3 . 34126 1 185 . 1 1 18 18 LYS HD2 H 1 1.666 0.020 . 1 . . . A 12 LYS HD2 . 34126 1 186 . 1 1 18 18 LYS HD3 H 1 1.666 0.020 . 1 . . . A 12 LYS HD3 . 34126 1 187 . 1 1 18 18 LYS HE2 H 1 2.982 0.020 . 1 . . . A 12 LYS HE2 . 34126 1 188 . 1 1 18 18 LYS HE3 H 1 2.982 0.020 . 1 . . . A 12 LYS HE3 . 34126 1 189 . 1 1 18 18 LYS CA C 13 56.503 0.100 . 1 . . . A 12 LYS CA . 34126 1 190 . 1 1 18 18 LYS CB C 13 32.676 0.100 . 1 . . . A 12 LYS CB . 34126 1 191 . 1 1 18 18 LYS CG C 13 24.761 0.100 . 1 . . . A 12 LYS CG . 34126 1 192 . 1 1 18 18 LYS CD C 13 29.087 0.100 . 1 . . . A 12 LYS CD . 34126 1 193 . 1 1 18 18 LYS CE C 13 42.130 0.100 . 1 . . . A 12 LYS CE . 34126 1 194 . 1 1 18 18 LYS N N 15 124.660 0.100 . 1 . . . A 12 LYS N . 34126 1 195 . 1 1 19 19 LYS H H 1 8.345 0.020 . 1 . . . A 13 LYS H . 34126 1 196 . 1 1 19 19 LYS HA H 1 4.288 0.020 . 1 . . . A 13 LYS HA . 34126 1 197 . 1 1 19 19 LYS HB2 H 1 1.828 0.020 . 1 . . . A 13 LYS HB2 . 34126 1 198 . 1 1 19 19 LYS HB3 H 1 1.828 0.020 . 1 . . . A 13 LYS HB3 . 34126 1 199 . 1 1 19 19 LYS HG2 H 1 1.447 0.020 . 1 . . . A 13 LYS HG2 . 34126 1 200 . 1 1 19 19 LYS HG3 H 1 1.447 0.020 . 1 . . . A 13 LYS HG3 . 34126 1 201 . 1 1 19 19 LYS HD2 H 1 1.700 0.020 . 1 . . . A 13 LYS HD2 . 34126 1 202 . 1 1 19 19 LYS HD3 H 1 1.700 0.020 . 1 . . . A 13 LYS HD3 . 34126 1 203 . 1 1 19 19 LYS HE2 H 1 3.012 0.020 . 1 . . . A 13 LYS HE2 . 34126 1 204 . 1 1 19 19 LYS HE3 H 1 3.012 0.020 . 1 . . . A 13 LYS HE3 . 34126 1 205 . 1 1 19 19 LYS CA C 13 56.470 0.100 . 1 . . . A 13 LYS CA . 34126 1 206 . 1 1 19 19 LYS CB C 13 33.010 0.100 . 1 . . . A 13 LYS CB . 34126 1 207 . 1 1 19 19 LYS CG C 13 24.825 0.100 . 1 . . . A 13 LYS CG . 34126 1 208 . 1 1 19 19 LYS CD C 13 29.032 0.100 . 1 . . . A 13 LYS CD . 34126 1 209 . 1 1 19 19 LYS CE C 13 42.136 0.100 . 1 . . . A 13 LYS CE . 34126 1 210 . 1 1 19 19 LYS N N 15 122.578 0.100 . 1 . . . A 13 LYS N . 34126 1 211 . 1 1 20 20 GLU H H 1 8.499 0.020 . 1 . . . A 14 GLU H . 34126 1 212 . 1 1 20 20 GLU HA H 1 4.267 0.020 . 1 . . . A 14 GLU HA . 34126 1 213 . 1 1 20 20 GLU HB2 H 1 1.953 0.020 . 2 . . . A 14 GLU HB2 . 34126 1 214 . 1 1 20 20 GLU HB3 H 1 2.067 0.020 . 2 . . . A 14 GLU HB3 . 34126 1 215 . 1 1 20 20 GLU HG2 H 1 2.248 0.020 . 1 . . . A 14 GLU HG2 . 34126 1 216 . 1 1 20 20 GLU HG3 H 1 2.248 0.020 . 1 . . . A 14 GLU HG3 . 34126 1 217 . 1 1 20 20 GLU CA C 13 56.457 0.100 . 1 . . . A 14 GLU CA . 34126 1 218 . 1 1 20 20 GLU CB C 13 30.250 0.100 . 1 . . . A 14 GLU CB . 34126 1 219 . 1 1 20 20 GLU CG C 13 36.293 0.100 . 1 . . . A 14 GLU CG . 34126 1 220 . 1 1 20 20 GLU N N 15 121.640 0.100 . 1 . . . A 14 GLU N . 34126 1 221 . 1 1 21 21 ALA H H 1 8.426 0.020 . 1 . . . A 15 ALA H . 34126 1 222 . 1 1 21 21 ALA HA H 1 4.306 0.020 . 1 . . . A 15 ALA HA . 34126 1 223 . 1 1 21 21 ALA HB1 H 1 1.403 0.020 . 1 . . . A 15 ALA HB1 . 34126 1 224 . 1 1 21 21 ALA HB2 H 1 1.403 0.020 . 1 . . . A 15 ALA HB2 . 34126 1 225 . 1 1 21 21 ALA HB3 H 1 1.403 0.020 . 1 . . . A 15 ALA HB3 . 34126 1 226 . 1 1 21 21 ALA CA C 13 52.654 0.100 . 1 . . . A 15 ALA CA . 34126 1 227 . 1 1 21 21 ALA CB C 13 19.243 0.100 . 1 . . . A 15 ALA CB . 34126 1 228 . 1 1 21 21 ALA N N 15 124.350 0.100 . 1 . . . A 15 ALA N . 34126 1 229 . 1 1 22 22 ASN H H 1 8.478 0.020 . 1 . . . A 16 ASN H . 34126 1 230 . 1 1 22 22 ASN HA H 1 4.709 0.020 . 1 . . . A 16 ASN HA . 34126 1 231 . 1 1 22 22 ASN HB2 H 1 2.850 0.020 . 2 . . . A 16 ASN HB2 . 34126 1 232 . 1 1 22 22 ASN HB3 H 1 2.796 0.020 . 2 . . . A 16 ASN HB3 . 34126 1 233 . 1 1 22 22 ASN HD21 H 1 7.696 0.020 . 2 . . . A 16 ASN HD21 . 34126 1 234 . 1 1 22 22 ASN HD22 H 1 6.998 0.020 . 2 . . . A 16 ASN HD22 . 34126 1 235 . 1 1 22 22 ASN CA C 13 53.272 0.100 . 1 . . . A 16 ASN CA . 34126 1 236 . 1 1 22 22 ASN CB C 13 38.920 0.100 . 1 . . . A 16 ASN CB . 34126 1 237 . 1 1 22 22 ASN N N 15 117.350 0.100 . 1 . . . A 16 ASN N . 34126 1 238 . 1 1 22 22 ASN ND2 N 15 112.609 0.100 . 1 . . . A 16 ASN ND2 . 34126 1 239 . 1 1 23 23 ASP H H 1 8.382 0.020 . 1 . . . A 17 ASP H . 34126 1 240 . 1 1 23 23 ASP HA H 1 4.659 0.020 . 1 . . . A 17 ASP HA . 34126 1 241 . 1 1 23 23 ASP HB2 H 1 2.716 0.020 . 1 . . . A 17 ASP HB2 . 34126 1 242 . 1 1 23 23 ASP HB3 H 1 2.716 0.020 . 1 . . . A 17 ASP HB3 . 34126 1 243 . 1 1 23 23 ASP CA C 13 54.382 0.100 . 1 . . . A 17 ASP CA . 34126 1 244 . 1 1 23 23 ASP CB C 13 41.160 0.100 . 1 . . . A 17 ASP CB . 34126 1 245 . 1 1 23 23 ASP N N 15 120.450 0.100 . 1 . . . A 17 ASP N . 34126 1 246 . 1 1 24 24 SER H H 1 8.403 0.020 . 1 . . . A 18 SER H . 34126 1 247 . 1 1 24 24 SER HA H 1 4.416 0.020 . 1 . . . A 18 SER HA . 34126 1 248 . 1 1 24 24 SER HB2 H 1 3.946 0.020 . 1 . . . A 18 SER HB2 . 34126 1 249 . 1 1 24 24 SER HB3 H 1 3.946 0.020 . 1 . . . A 18 SER HB3 . 34126 1 250 . 1 1 24 24 SER CA C 13 59.020 0.100 . 1 . . . A 18 SER CA . 34126 1 251 . 1 1 24 24 SER CB C 13 63.743 0.100 . 1 . . . A 18 SER CB . 34126 1 252 . 1 1 24 24 SER N N 15 115.921 0.100 . 1 . . . A 18 SER N . 34126 1 253 . 1 1 25 25 GLY H H 1 8.528 0.020 . 1 . . . A 19 GLY H . 34126 1 254 . 1 1 25 25 GLY HA2 H 1 3.979 0.020 . 1 . . . A 19 GLY HA2 . 34126 1 255 . 1 1 25 25 GLY HA3 H 1 3.979 0.020 . 1 . . . A 19 GLY HA3 . 34126 1 256 . 1 1 25 25 GLY CA C 13 45.447 0.100 . 1 . . . A 19 GLY CA . 34126 1 257 . 1 1 25 25 GLY N N 15 110.247 0.100 . 1 . . . A 19 GLY N . 34126 1 258 . 1 1 26 26 VAL H H 1 7.956 0.020 . 1 . . . A 20 VAL H . 34126 1 259 . 1 1 26 26 VAL HA H 1 4.185 0.020 . 1 . . . A 20 VAL HA . 34126 1 260 . 1 1 26 26 VAL HB H 1 2.084 0.020 . 1 . . . A 20 VAL HB . 34126 1 261 . 1 1 26 26 VAL HG11 H 1 0.917 0.020 . 2 . . . A 20 VAL HG11 . 34126 1 262 . 1 1 26 26 VAL HG12 H 1 0.917 0.020 . 2 . . . A 20 VAL HG12 . 34126 1 263 . 1 1 26 26 VAL HG13 H 1 0.917 0.020 . 2 . . . A 20 VAL HG13 . 34126 1 264 . 1 1 26 26 VAL HG21 H 1 0.929 0.020 . 2 . . . A 20 VAL HG21 . 34126 1 265 . 1 1 26 26 VAL HG22 H 1 0.929 0.020 . 2 . . . A 20 VAL HG22 . 34126 1 266 . 1 1 26 26 VAL HG23 H 1 0.929 0.020 . 2 . . . A 20 VAL HG23 . 34126 1 267 . 1 1 26 26 VAL CA C 13 62.285 0.100 . 1 . . . A 20 VAL CA . 34126 1 268 . 1 1 26 26 VAL CB C 13 32.775 0.100 . 1 . . . A 20 VAL CB . 34126 1 269 . 1 1 26 26 VAL CG1 C 13 21.052 0.100 . 2 . . . A 20 VAL CG1 . 34126 1 270 . 1 1 26 26 VAL CG2 C 13 20.508 0.100 . 2 . . . A 20 VAL CG2 . 34126 1 271 . 1 1 26 26 VAL N N 15 118.894 0.100 . 1 . . . A 20 VAL N . 34126 1 272 . 1 1 27 27 THR H H 1 8.387 0.020 . 1 . . . A 21 THR H . 34126 1 273 . 1 1 27 27 THR HA H 1 4.326 0.020 . 1 . . . A 21 THR HA . 34126 1 274 . 1 1 27 27 THR HB H 1 4.134 0.020 . 1 . . . A 21 THR HB . 34126 1 275 . 1 1 27 27 THR HG21 H 1 1.199 0.020 . 1 . . . A 21 THR HG21 . 34126 1 276 . 1 1 27 27 THR HG22 H 1 1.199 0.020 . 1 . . . A 21 THR HG22 . 34126 1 277 . 1 1 27 27 THR HG23 H 1 1.199 0.020 . 1 . . . A 21 THR HG23 . 34126 1 278 . 1 1 27 27 THR CA C 13 61.956 0.100 . 1 . . . A 21 THR CA . 34126 1 279 . 1 1 27 27 THR CB C 13 69.715 0.100 . 1 . . . A 21 THR CB . 34126 1 280 . 1 1 27 27 THR CG2 C 13 21.595 0.100 . 1 . . . A 21 THR CG2 . 34126 1 281 . 1 1 27 27 THR N N 15 119.011 0.100 . 1 . . . A 21 THR N . 34126 1 282 . 1 1 28 28 LEU H H 1 8.410 0.020 . 1 . . . A 22 LEU H . 34126 1 283 . 1 1 28 28 LEU HA H 1 4.368 0.020 . 1 . . . A 22 LEU HA . 34126 1 284 . 1 1 28 28 LEU HB2 H 1 1.560 0.020 . 2 . . . A 22 LEU HB2 . 34126 1 285 . 1 1 28 28 LEU HB3 H 1 1.623 0.020 . 2 . . . A 22 LEU HB3 . 34126 1 286 . 1 1 28 28 LEU HG H 1 1.626 0.020 . 1 . . . A 22 LEU HG . 34126 1 287 . 1 1 28 28 LEU HD11 H 1 0.863 0.020 . 2 . . . A 22 LEU HD11 . 34126 1 288 . 1 1 28 28 LEU HD12 H 1 0.863 0.020 . 2 . . . A 22 LEU HD12 . 34126 1 289 . 1 1 28 28 LEU HD13 H 1 0.863 0.020 . 2 . . . A 22 LEU HD13 . 34126 1 290 . 1 1 28 28 LEU HD21 H 1 0.929 0.020 . 2 . . . A 22 LEU HD21 . 34126 1 291 . 1 1 28 28 LEU HD22 H 1 0.929 0.020 . 2 . . . A 22 LEU HD22 . 34126 1 292 . 1 1 28 28 LEU HD23 H 1 0.929 0.020 . 2 . . . A 22 LEU HD23 . 34126 1 293 . 1 1 28 28 LEU CA C 13 54.733 0.100 . 1 . . . A 22 LEU CA . 34126 1 294 . 1 1 28 28 LEU CB C 13 42.396 0.100 . 1 . . . A 22 LEU CB . 34126 1 295 . 1 1 28 28 LEU CG C 13 26.955 0.100 . 1 . . . A 22 LEU CG . 34126 1 296 . 1 1 28 28 LEU CD1 C 13 23.274 0.100 . 2 . . . A 22 LEU CD1 . 34126 1 297 . 1 1 28 28 LEU CD2 C 13 24.951 0.100 . 2 . . . A 22 LEU CD2 . 34126 1 298 . 1 1 28 28 LEU N N 15 125.397 0.100 . 1 . . . A 22 LEU N . 34126 1 299 . 1 1 29 29 ALA H H 1 8.355 0.020 . 1 . . . A 23 ALA H . 34126 1 300 . 1 1 29 29 ALA HA H 1 4.589 0.020 . 1 . . . A 23 ALA HA . 34126 1 301 . 1 1 29 29 ALA HB1 H 1 1.354 0.020 . 1 . . . A 23 ALA HB1 . 34126 1 302 . 1 1 29 29 ALA HB2 H 1 1.354 0.020 . 1 . . . A 23 ALA HB2 . 34126 1 303 . 1 1 29 29 ALA HB3 H 1 1.354 0.020 . 1 . . . A 23 ALA HB3 . 34126 1 304 . 1 1 29 29 ALA CA C 13 50.397 0.100 . 1 . . . A 23 ALA CA . 34126 1 305 . 1 1 29 29 ALA CB C 13 18.046 0.100 . 1 . . . A 23 ALA CB . 34126 1 306 . 1 1 29 29 ALA N N 15 126.153 0.100 . 1 . . . A 23 ALA N . 34126 1 307 . 1 1 30 30 PRO HA H 1 4.422 0.020 . 1 . . . A 24 PRO HA . 34126 1 308 . 1 1 30 30 PRO HB2 H 1 1.912 0.020 . 2 . . . A 24 PRO HB2 . 34126 1 309 . 1 1 30 30 PRO HB3 H 1 2.303 0.020 . 2 . . . A 24 PRO HB3 . 34126 1 310 . 1 1 30 30 PRO HG2 H 1 2.005 0.020 . 1 . . . A 24 PRO HG2 . 34126 1 311 . 1 1 30 30 PRO HG3 H 1 2.005 0.020 . 1 . . . A 24 PRO HG3 . 34126 1 312 . 1 1 30 30 PRO HD2 H 1 3.836 0.020 . 2 . . . A 24 PRO HD2 . 34126 1 313 . 1 1 30 30 PRO HD3 H 1 3.619 0.020 . 2 . . . A 24 PRO HD3 . 34126 1 314 . 1 1 30 30 PRO CA C 13 62.927 0.100 . 1 . . . A 24 PRO CA . 34126 1 315 . 1 1 30 30 PRO CB C 13 32.083 0.100 . 1 . . . A 24 PRO CB . 34126 1 316 . 1 1 30 30 PRO CG C 13 27.399 0.100 . 1 . . . A 24 PRO CG . 34126 1 317 . 1 1 30 30 PRO CD C 13 50.623 0.100 . 1 . . . A 24 PRO CD . 34126 1 318 . 1 1 31 31 LEU H H 1 8.432 0.020 . 1 . . . A 25 LEU H . 34126 1 319 . 1 1 31 31 LEU HA H 1 4.327 0.020 . 1 . . . A 25 LEU HA . 34126 1 320 . 1 1 31 31 LEU HB2 H 1 1.585 0.020 . 2 . . . A 25 LEU HB2 . 34126 1 321 . 1 1 31 31 LEU HB3 H 1 1.666 0.020 . 2 . . . A 25 LEU HB3 . 34126 1 322 . 1 1 31 31 LEU HG H 1 1.618 0.020 . 1 . . . A 25 LEU HG . 34126 1 323 . 1 1 31 31 LEU HD11 H 1 0.950 0.020 . 2 . . . A 25 LEU HD11 . 34126 1 324 . 1 1 31 31 LEU HD12 H 1 0.950 0.020 . 2 . . . A 25 LEU HD12 . 34126 1 325 . 1 1 31 31 LEU HD13 H 1 0.950 0.020 . 2 . . . A 25 LEU HD13 . 34126 1 326 . 1 1 31 31 LEU HD21 H 1 0.889 0.020 . 2 . . . A 25 LEU HD21 . 34126 1 327 . 1 1 31 31 LEU HD22 H 1 0.889 0.020 . 2 . . . A 25 LEU HD22 . 34126 1 328 . 1 1 31 31 LEU HD23 H 1 0.889 0.020 . 2 . . . A 25 LEU HD23 . 34126 1 329 . 1 1 31 31 LEU CA C 13 55.228 0.100 . 1 . . . A 25 LEU CA . 34126 1 330 . 1 1 31 31 LEU CB C 13 42.243 0.100 . 1 . . . A 25 LEU CB . 34126 1 331 . 1 1 31 31 LEU CG C 13 26.948 0.100 . 1 . . . A 25 LEU CG . 34126 1 332 . 1 1 31 31 LEU CD1 C 13 24.882 0.100 . 2 . . . A 25 LEU CD1 . 34126 1 333 . 1 1 31 31 LEU CD2 C 13 23.461 0.100 . 2 . . . A 25 LEU CD2 . 34126 1 334 . 1 1 31 31 LEU N N 15 121.502 0.100 . 1 . . . A 25 LEU N . 34126 1 335 . 1 1 32 32 SER H H 1 8.332 0.020 . 1 . . . A 26 SER H . 34126 1 336 . 1 1 32 32 SER HA H 1 4.473 0.020 . 1 . . . A 26 SER HA . 34126 1 337 . 1 1 32 32 SER HB2 H 1 3.834 0.020 . 1 . . . A 26 SER HB2 . 34126 1 338 . 1 1 32 32 SER HB3 H 1 3.834 0.020 . 1 . . . A 26 SER HB3 . 34126 1 339 . 1 1 32 32 SER CA C 13 58.021 0.100 . 1 . . . A 26 SER CA . 34126 1 340 . 1 1 32 32 SER CB C 13 63.770 0.100 . 1 . . . A 26 SER CB . 34126 1 341 . 1 1 32 32 SER N N 15 116.382 0.100 . 1 . . . A 26 SER N . 34126 1 342 . 1 1 33 33 VAL H H 1 8.189 0.020 . 1 . . . A 27 VAL H . 34126 1 343 . 1 1 33 33 VAL HA H 1 4.450 0.020 . 1 . . . A 27 VAL HA . 34126 1 344 . 1 1 33 33 VAL HB H 1 2.079 0.020 . 1 . . . A 27 VAL HB . 34126 1 345 . 1 1 33 33 VAL HG11 H 1 0.935 0.020 . 2 . . . A 27 VAL HG11 . 34126 1 346 . 1 1 33 33 VAL HG12 H 1 0.935 0.020 . 2 . . . A 27 VAL HG12 . 34126 1 347 . 1 1 33 33 VAL HG13 H 1 0.935 0.020 . 2 . . . A 27 VAL HG13 . 34126 1 348 . 1 1 33 33 VAL HG21 H 1 0.986 0.020 . 2 . . . A 27 VAL HG21 . 34126 1 349 . 1 1 33 33 VAL HG22 H 1 0.986 0.020 . 2 . . . A 27 VAL HG22 . 34126 1 350 . 1 1 33 33 VAL HG23 H 1 0.986 0.020 . 2 . . . A 27 VAL HG23 . 34126 1 351 . 1 1 33 33 VAL CA C 13 59.786 0.100 . 1 . . . A 27 VAL CA . 34126 1 352 . 1 1 33 33 VAL CB C 13 32.769 0.100 . 1 . . . A 27 VAL CB . 34126 1 353 . 1 1 33 33 VAL CG1 C 13 20.207 0.100 . 2 . . . A 27 VAL CG1 . 34126 1 354 . 1 1 33 33 VAL CG2 C 13 20.980 0.100 . 2 . . . A 27 VAL CG2 . 34126 1 355 . 1 1 33 33 VAL N N 15 122.950 0.100 . 1 . . . A 27 VAL N . 34126 1 356 . 1 1 34 34 PRO HA H 1 4.396 0.020 . 1 . . . A 28 PRO HA . 34126 1 357 . 1 1 34 34 PRO HB2 H 1 2.290 0.020 . 2 . . . A 28 PRO HB2 . 34126 1 358 . 1 1 34 34 PRO HB3 H 1 1.841 0.020 . 2 . . . A 28 PRO HB3 . 34126 1 359 . 1 1 34 34 PRO HG2 H 1 2.015 0.020 . 1 . . . A 28 PRO HG2 . 34126 1 360 . 1 1 34 34 PRO HG3 H 1 2.015 0.020 . 1 . . . A 28 PRO HG3 . 34126 1 361 . 1 1 34 34 PRO HD2 H 1 3.784 0.020 . 2 . . . A 28 PRO HD2 . 34126 1 362 . 1 1 34 34 PRO HD3 H 1 3.644 0.020 . 2 . . . A 28 PRO HD3 . 34126 1 363 . 1 1 34 34 PRO CA C 13 62.989 0.100 . 1 . . . A 28 PRO CA . 34126 1 364 . 1 1 34 34 PRO CB C 13 32.149 0.100 . 1 . . . A 28 PRO CB . 34126 1 365 . 1 1 34 34 PRO CG C 13 27.399 0.100 . 1 . . . A 28 PRO CG . 34126 1 366 . 1 1 34 34 PRO CD C 13 50.461 0.100 . 1 . . . A 28 PRO CD . 34126 1 367 . 1 1 35 35 LYS H H 1 8.470 0.020 . 1 . . . A 29 LYS H . 34126 1 368 . 1 1 35 35 LYS HA H 1 4.565 0.020 . 1 . . . A 29 LYS HA . 34126 1 369 . 1 1 35 35 LYS HB2 H 1 1.824 0.020 . 2 . . . A 29 LYS HB2 . 34126 1 370 . 1 1 35 35 LYS HB3 H 1 1.716 0.020 . 2 . . . A 29 LYS HB3 . 34126 1 371 . 1 1 35 35 LYS HG2 H 1 1.513 0.020 . 1 . . . A 29 LYS HG2 . 34126 1 372 . 1 1 35 35 LYS HG3 H 1 1.513 0.020 . 1 . . . A 29 LYS HG3 . 34126 1 373 . 1 1 35 35 LYS HD2 H 1 1.683 0.020 . 1 . . . A 29 LYS HD2 . 34126 1 374 . 1 1 35 35 LYS HD3 H 1 1.683 0.020 . 1 . . . A 29 LYS HD3 . 34126 1 375 . 1 1 35 35 LYS HE2 H 1 3.027 0.020 . 1 . . . A 29 LYS HE2 . 34126 1 376 . 1 1 35 35 LYS HE3 H 1 3.027 0.020 . 1 . . . A 29 LYS HE3 . 34126 1 377 . 1 1 35 35 LYS CA C 13 54.181 0.100 . 1 . . . A 29 LYS CA . 34126 1 378 . 1 1 35 35 LYS CB C 13 32.329 0.100 . 1 . . . A 29 LYS CB . 34126 1 379 . 1 1 35 35 LYS CG C 13 24.696 0.100 . 1 . . . A 29 LYS CG . 34126 1 380 . 1 1 35 35 LYS CD C 13 29.091 0.100 . 1 . . . A 29 LYS CD . 34126 1 381 . 1 1 35 35 LYS CE C 13 42.183 0.100 . 1 . . . A 29 LYS CE . 34126 1 382 . 1 1 35 35 LYS N N 15 122.451 0.100 . 1 . . . A 29 LYS N . 34126 1 383 . 1 1 36 36 PRO HA H 1 4.392 0.020 . 1 . . . A 30 PRO HA . 34126 1 384 . 1 1 36 36 PRO HB2 H 1 1.849 0.020 . 2 . . . A 30 PRO HB2 . 34126 1 385 . 1 1 36 36 PRO HB3 H 1 2.275 0.020 . 2 . . . A 30 PRO HB3 . 34126 1 386 . 1 1 36 36 PRO HG2 H 1 2.030 0.020 . 2 . . . A 30 PRO HG2 . 34126 1 387 . 1 1 36 36 PRO HG3 H 1 1.983 0.020 . 2 . . . A 30 PRO HG3 . 34126 1 388 . 1 1 36 36 PRO HD2 H 1 3.677 0.020 . 2 . . . A 30 PRO HD2 . 34126 1 389 . 1 1 36 36 PRO HD3 H 1 3.870 0.020 . 2 . . . A 30 PRO HD3 . 34126 1 390 . 1 1 36 36 PRO CA C 13 62.991 0.100 . 1 . . . A 30 PRO CA . 34126 1 391 . 1 1 36 36 PRO CB C 13 32.170 0.100 . 1 . . . A 30 PRO CB . 34126 1 392 . 1 1 36 36 PRO CG C 13 27.399 0.100 . 1 . . . A 30 PRO CG . 34126 1 393 . 1 1 36 36 PRO CD C 13 51.039 0.100 . 1 . . . A 30 PRO CD . 34126 1 394 . 1 1 37 37 LYS H H 1 8.492 0.020 . 1 . . . A 31 LYS H . 34126 1 395 . 1 1 37 37 LYS HA H 1 4.281 0.020 . 1 . . . A 31 LYS HA . 34126 1 396 . 1 1 37 37 LYS HB2 H 1 1.800 0.020 . 2 . . . A 31 LYS HB2 . 34126 1 397 . 1 1 37 37 LYS HB3 H 1 1.745 0.020 . 2 . . . A 31 LYS HB3 . 34126 1 398 . 1 1 37 37 LYS HG2 H 1 1.471 0.020 . 1 . . . A 31 LYS HG2 . 34126 1 399 . 1 1 37 37 LYS HG3 H 1 1.471 0.020 . 1 . . . A 31 LYS HG3 . 34126 1 400 . 1 1 37 37 LYS HD2 H 1 1.671 0.020 . 1 . . . A 31 LYS HD2 . 34126 1 401 . 1 1 37 37 LYS HD3 H 1 1.671 0.020 . 1 . . . A 31 LYS HD3 . 34126 1 402 . 1 1 37 37 LYS HE2 H 1 2.999 0.020 . 1 . . . A 31 LYS HE2 . 34126 1 403 . 1 1 37 37 LYS HE3 H 1 2.999 0.020 . 1 . . . A 31 LYS HE3 . 34126 1 404 . 1 1 37 37 LYS CA C 13 56.155 0.100 . 1 . . . A 31 LYS CA . 34126 1 405 . 1 1 37 37 LYS CB C 13 33.076 0.100 . 1 . . . A 31 LYS CB . 34126 1 406 . 1 1 37 37 LYS CG C 13 24.750 0.100 . 1 . . . A 31 LYS CG . 34126 1 407 . 1 1 37 37 LYS CD C 13 29.081 0.100 . 1 . . . A 31 LYS CD . 34126 1 408 . 1 1 37 37 LYS CE C 13 42.163 0.100 . 1 . . . A 31 LYS CE . 34126 1 409 . 1 1 37 37 LYS N N 15 121.693 0.100 . 1 . . . A 31 LYS N . 34126 1 410 . 1 1 38 38 LEU H H 1 8.390 0.020 . 1 . . . A 32 LEU H . 34126 1 411 . 1 1 38 38 LEU HA H 1 4.309 0.020 . 1 . . . A 32 LEU HA . 34126 1 412 . 1 1 38 38 LEU HB2 H 1 1.558 0.020 . 1 . . . A 32 LEU HB2 . 34126 1 413 . 1 1 38 38 LEU HB3 H 1 1.558 0.020 . 1 . . . A 32 LEU HB3 . 34126 1 414 . 1 1 38 38 LEU HG H 1 1.569 0.020 . 1 . . . A 32 LEU HG . 34126 1 415 . 1 1 38 38 LEU HD11 H 1 0.807 0.020 . 2 . . . A 32 LEU HD11 . 34126 1 416 . 1 1 38 38 LEU HD12 H 1 0.807 0.020 . 2 . . . A 32 LEU HD12 . 34126 1 417 . 1 1 38 38 LEU HD13 H 1 0.807 0.020 . 2 . . . A 32 LEU HD13 . 34126 1 418 . 1 1 38 38 LEU HD21 H 1 0.749 0.020 . 2 . . . A 32 LEU HD21 . 34126 1 419 . 1 1 38 38 LEU HD22 H 1 0.749 0.020 . 2 . . . A 32 LEU HD22 . 34126 1 420 . 1 1 38 38 LEU HD23 H 1 0.749 0.020 . 2 . . . A 32 LEU HD23 . 34126 1 421 . 1 1 38 38 LEU CA C 13 54.949 0.100 . 1 . . . A 32 LEU CA . 34126 1 422 . 1 1 38 38 LEU CB C 13 42.390 0.100 . 1 . . . A 32 LEU CB . 34126 1 423 . 1 1 38 38 LEU CG C 13 26.882 0.100 . 1 . . . A 32 LEU CG . 34126 1 424 . 1 1 38 38 LEU CD1 C 13 24.732 0.100 . 2 . . . A 32 LEU CD1 . 34126 1 425 . 1 1 38 38 LEU CD2 C 13 23.928 0.100 . 2 . . . A 32 LEU CD2 . 34126 1 426 . 1 1 38 38 LEU N N 15 123.880 0.100 . 1 . . . A 32 LEU N . 34126 1 427 . 1 1 39 39 GLU H H 1 8.632 0.020 . 1 . . . A 33 GLU H . 34126 1 428 . 1 1 39 39 GLU HA H 1 4.293 0.020 . 1 . . . A 33 GLU HA . 34126 1 429 . 1 1 39 39 GLU HB2 H 1 2.069 0.020 . 2 . . . A 33 GLU HB2 . 34126 1 430 . 1 1 39 39 GLU HB3 H 1 1.967 0.020 . 2 . . . A 33 GLU HB3 . 34126 1 431 . 1 1 39 39 GLU HG2 H 1 2.309 0.020 . 1 . . . A 33 GLU HG2 . 34126 1 432 . 1 1 39 39 GLU HG3 H 1 2.309 0.020 . 1 . . . A 33 GLU HG3 . 34126 1 433 . 1 1 39 39 GLU CA C 13 56.525 0.100 . 1 . . . A 33 GLU CA . 34126 1 434 . 1 1 39 39 GLU CB C 13 30.193 0.100 . 1 . . . A 33 GLU CB . 34126 1 435 . 1 1 39 39 GLU CG C 13 36.285 0.100 . 1 . . . A 33 GLU CG . 34126 1 436 . 1 1 39 39 GLU N N 15 122.476 0.100 . 1 . . . A 33 GLU N . 34126 1 437 . 1 1 40 40 GLU H H 1 8.537 0.020 . 1 . . . A 34 GLU H . 34126 1 438 . 1 1 40 40 GLU HA H 1 4.365 0.020 . 1 . . . A 34 GLU HA . 34126 1 439 . 1 1 40 40 GLU HB2 H 1 1.960 0.020 . 2 . . . A 34 GLU HB2 . 34126 1 440 . 1 1 40 40 GLU HB3 H 1 2.075 0.020 . 2 . . . A 34 GLU HB3 . 34126 1 441 . 1 1 40 40 GLU HG2 H 1 2.313 0.020 . 1 . . . A 34 GLU HG2 . 34126 1 442 . 1 1 40 40 GLU HG3 H 1 2.313 0.020 . 1 . . . A 34 GLU HG3 . 34126 1 443 . 1 1 40 40 GLU CA C 13 56.489 0.100 . 1 . . . A 34 GLU CA . 34126 1 444 . 1 1 40 40 GLU CB C 13 30.909 0.100 . 1 . . . A 34 GLU CB . 34126 1 445 . 1 1 40 40 GLU CG C 13 36.273 0.100 . 1 . . . A 34 GLU CG . 34126 1 446 . 1 1 40 40 GLU N N 15 122.353 0.100 . 1 . . . A 34 GLU N . 34126 1 447 . 1 1 41 41 LEU H H 1 8.359 0.020 . 1 . . . A 35 LEU H . 34126 1 448 . 1 1 41 41 LEU HA H 1 4.485 0.020 . 1 . . . A 35 LEU HA . 34126 1 449 . 1 1 41 41 LEU HB2 H 1 1.603 0.020 . 2 . . . A 35 LEU HB2 . 34126 1 450 . 1 1 41 41 LEU HB3 H 1 1.407 0.020 . 2 . . . A 35 LEU HB3 . 34126 1 451 . 1 1 41 41 LEU HG H 1 1.543 0.020 . 1 . . . A 35 LEU HG . 34126 1 452 . 1 1 41 41 LEU HD11 H 1 0.460 0.020 . 2 . . . A 35 LEU HD11 . 34126 1 453 . 1 1 41 41 LEU HD12 H 1 0.460 0.020 . 2 . . . A 35 LEU HD12 . 34126 1 454 . 1 1 41 41 LEU HD13 H 1 0.460 0.020 . 2 . . . A 35 LEU HD13 . 34126 1 455 . 1 1 41 41 LEU HD21 H 1 0.458 0.020 . 2 . . . A 35 LEU HD21 . 34126 1 456 . 1 1 41 41 LEU HD22 H 1 0.458 0.020 . 2 . . . A 35 LEU HD22 . 34126 1 457 . 1 1 41 41 LEU HD23 H 1 0.458 0.020 . 2 . . . A 35 LEU HD23 . 34126 1 458 . 1 1 41 41 LEU CA C 13 54.136 0.100 . 1 . . . A 35 LEU CA . 34126 1 459 . 1 1 41 41 LEU CB C 13 43.089 0.100 . 1 . . . A 35 LEU CB . 34126 1 460 . 1 1 41 41 LEU CG C 13 26.874 0.100 . 1 . . . A 35 LEU CG . 34126 1 461 . 1 1 41 41 LEU CD1 C 13 26.081 0.100 . 2 . . . A 35 LEU CD1 . 34126 1 462 . 1 1 41 41 LEU CD2 C 13 22.241 0.100 . 2 . . . A 35 LEU CD2 . 34126 1 463 . 1 1 41 41 LEU N N 15 121.990 0.100 . 1 . . . A 35 LEU N . 34126 1 464 . 1 1 42 42 SER H H 1 9.268 0.020 . 1 . . . A 36 SER H . 34126 1 465 . 1 1 42 42 SER HA H 1 4.524 0.020 . 1 . . . A 36 SER HA . 34126 1 466 . 1 1 42 42 SER HB2 H 1 4.043 0.020 . 2 . . . A 36 SER HB2 . 34126 1 467 . 1 1 42 42 SER HB3 H 1 4.460 0.020 . 2 . . . A 36 SER HB3 . 34126 1 468 . 1 1 42 42 SER CA C 13 56.965 0.100 . 1 . . . A 36 SER CA . 34126 1 469 . 1 1 42 42 SER CB C 13 65.449 0.100 . 1 . . . A 36 SER CB . 34126 1 470 . 1 1 42 42 SER N N 15 117.652 0.100 . 1 . . . A 36 SER N . 34126 1 471 . 1 1 43 43 GLU H H 1 9.116 0.020 . 1 . . . A 37 GLU H . 34126 1 472 . 1 1 43 43 GLU HA H 1 3.967 0.020 . 1 . . . A 37 GLU HA . 34126 1 473 . 1 1 43 43 GLU HB2 H 1 2.090 0.020 . 1 . . . A 37 GLU HB2 . 34126 1 474 . 1 1 43 43 GLU HB3 H 1 2.090 0.020 . 1 . . . A 37 GLU HB3 . 34126 1 475 . 1 1 43 43 GLU HG2 H 1 2.433 0.020 . 2 . . . A 37 GLU HG2 . 34126 1 476 . 1 1 43 43 GLU HG3 H 1 2.365 0.020 . 2 . . . A 37 GLU HG3 . 34126 1 477 . 1 1 43 43 GLU CA C 13 60.088 0.100 . 1 . . . A 37 GLU CA . 34126 1 478 . 1 1 43 43 GLU CB C 13 29.042 0.100 . 1 . . . A 37 GLU CB . 34126 1 479 . 1 1 43 43 GLU CG C 13 36.089 0.100 . 1 . . . A 37 GLU CG . 34126 1 480 . 1 1 43 43 GLU N N 15 120.112 0.100 . 1 . . . A 37 GLU N . 34126 1 481 . 1 1 44 44 GLN H H 1 8.499 0.020 . 1 . . . A 38 GLN H . 34126 1 482 . 1 1 44 44 GLN HA H 1 4.070 0.020 . 1 . . . A 38 GLN HA . 34126 1 483 . 1 1 44 44 GLN HB2 H 1 2.108 0.020 . 2 . . . A 38 GLN HB2 . 34126 1 484 . 1 1 44 44 GLN HB3 H 1 1.995 0.020 . 2 . . . A 38 GLN HB3 . 34126 1 485 . 1 1 44 44 GLN HG2 H 1 2.441 0.020 . 2 . . . A 38 GLN HG2 . 34126 1 486 . 1 1 44 44 GLN HG3 H 1 2.477 0.020 . 2 . . . A 38 GLN HG3 . 34126 1 487 . 1 1 44 44 GLN HE21 H 1 7.018 0.020 . 2 . . . A 38 GLN HE21 . 34126 1 488 . 1 1 44 44 GLN HE22 H 1 7.522 0.020 . 2 . . . A 38 GLN HE22 . 34126 1 489 . 1 1 44 44 GLN CA C 13 59.262 0.100 . 1 . . . A 38 GLN CA . 34126 1 490 . 1 1 44 44 GLN CB C 13 28.239 0.100 . 1 . . . A 38 GLN CB . 34126 1 491 . 1 1 44 44 GLN CG C 13 34.067 0.100 . 1 . . . A 38 GLN CG . 34126 1 492 . 1 1 44 44 GLN N N 15 116.427 0.100 . 1 . . . A 38 GLN N . 34126 1 493 . 1 1 44 44 GLN NE2 N 15 112.004 0.100 . 1 . . . A 38 GLN NE2 . 34126 1 494 . 1 1 45 45 GLN H H 1 7.939 0.020 . 1 . . . A 39 GLN H . 34126 1 495 . 1 1 45 45 GLN HA H 1 3.872 0.020 . 1 . . . A 39 GLN HA . 34126 1 496 . 1 1 45 45 GLN HB2 H 1 1.761 0.020 . 2 . . . A 39 GLN HB2 . 34126 1 497 . 1 1 45 45 GLN HB3 H 1 2.592 0.020 . 2 . . . A 39 GLN HB3 . 34126 1 498 . 1 1 45 45 GLN HG2 H 1 2.616 0.020 . 2 . . . A 39 GLN HG2 . 34126 1 499 . 1 1 45 45 GLN HG3 H 1 2.325 0.020 . 2 . . . A 39 GLN HG3 . 34126 1 500 . 1 1 45 45 GLN HE21 H 1 7.791 0.020 . 2 . . . A 39 GLN HE21 . 34126 1 501 . 1 1 45 45 GLN HE22 H 1 6.781 0.020 . 2 . . . A 39 GLN HE22 . 34126 1 502 . 1 1 45 45 GLN CA C 13 59.049 0.100 . 1 . . . A 39 GLN CA . 34126 1 503 . 1 1 45 45 GLN CB C 13 29.913 0.100 . 1 . . . A 39 GLN CB . 34126 1 504 . 1 1 45 45 GLN CG C 13 35.296 0.100 . 1 . . . A 39 GLN CG . 34126 1 505 . 1 1 45 45 GLN N N 15 117.964 0.100 . 1 . . . A 39 GLN N . 34126 1 506 . 1 1 45 45 GLN NE2 N 15 111.744 0.100 . 1 . . . A 39 GLN NE2 . 34126 1 507 . 1 1 46 46 LYS H H 1 8.541 0.020 . 1 . . . A 40 LYS H . 34126 1 508 . 1 1 46 46 LYS HA H 1 3.783 0.020 . 1 . . . A 40 LYS HA . 34126 1 509 . 1 1 46 46 LYS HB2 H 1 1.985 0.020 . 2 . . . A 40 LYS HB2 . 34126 1 510 . 1 1 46 46 LYS HB3 H 1 1.852 0.020 . 2 . . . A 40 LYS HB3 . 34126 1 511 . 1 1 46 46 LYS HG2 H 1 1.271 0.020 . 1 . . . A 40 LYS HG2 . 34126 1 512 . 1 1 46 46 LYS HG3 H 1 1.271 0.020 . 1 . . . A 40 LYS HG3 . 34126 1 513 . 1 1 46 46 LYS HD2 H 1 1.714 0.020 . 2 . . . A 40 LYS HD2 . 34126 1 514 . 1 1 46 46 LYS HD3 H 1 1.593 0.020 . 2 . . . A 40 LYS HD3 . 34126 1 515 . 1 1 46 46 LYS HE2 H 1 2.924 0.020 . 1 . . . A 40 LYS HE2 . 34126 1 516 . 1 1 46 46 LYS HE3 H 1 2.924 0.020 . 1 . . . A 40 LYS HE3 . 34126 1 517 . 1 1 46 46 LYS CA C 13 60.881 0.100 . 1 . . . A 40 LYS CA . 34126 1 518 . 1 1 46 46 LYS CB C 13 32.537 0.100 . 1 . . . A 40 LYS CB . 34126 1 519 . 1 1 46 46 LYS CG C 13 27.177 0.100 . 1 . . . A 40 LYS CG . 34126 1 520 . 1 1 46 46 LYS CD C 13 29.953 0.100 . 1 . . . A 40 LYS CD . 34126 1 521 . 1 1 46 46 LYS CE C 13 41.929 0.100 . 1 . . . A 40 LYS CE . 34126 1 522 . 1 1 46 46 LYS N N 15 118.071 0.100 . 1 . . . A 40 LYS N . 34126 1 523 . 1 1 47 47 ILE H H 1 7.635 0.020 . 1 . . . A 41 ILE H . 34126 1 524 . 1 1 47 47 ILE HA H 1 3.784 0.020 . 1 . . . A 41 ILE HA . 34126 1 525 . 1 1 47 47 ILE HB H 1 1.991 0.020 . 1 . . . A 41 ILE HB . 34126 1 526 . 1 1 47 47 ILE HG12 H 1 1.760 0.020 . 2 . . . A 41 ILE HG12 . 34126 1 527 . 1 1 47 47 ILE HG13 H 1 1.162 0.020 . 2 . . . A 41 ILE HG13 . 34126 1 528 . 1 1 47 47 ILE HG21 H 1 0.926 0.020 . 1 . . . A 41 ILE HG21 . 34126 1 529 . 1 1 47 47 ILE HG22 H 1 0.926 0.020 . 1 . . . A 41 ILE HG22 . 34126 1 530 . 1 1 47 47 ILE HG23 H 1 0.926 0.020 . 1 . . . A 41 ILE HG23 . 34126 1 531 . 1 1 47 47 ILE HD11 H 1 0.887 0.020 . 1 . . . A 41 ILE HD11 . 34126 1 532 . 1 1 47 47 ILE HD12 H 1 0.887 0.020 . 1 . . . A 41 ILE HD12 . 34126 1 533 . 1 1 47 47 ILE HD13 H 1 0.887 0.020 . 1 . . . A 41 ILE HD13 . 34126 1 534 . 1 1 47 47 ILE CA C 13 65.016 0.100 . 1 . . . A 41 ILE CA . 34126 1 535 . 1 1 47 47 ILE CB C 13 38.166 0.100 . 1 . . . A 41 ILE CB . 34126 1 536 . 1 1 47 47 ILE CG1 C 13 29.134 0.100 . 1 . . . A 41 ILE CG1 . 34126 1 537 . 1 1 47 47 ILE CG2 C 13 16.979 0.100 . 1 . . . A 41 ILE CG2 . 34126 1 538 . 1 1 47 47 ILE CD1 C 13 13.162 0.100 . 1 . . . A 41 ILE CD1 . 34126 1 539 . 1 1 47 47 ILE N N 15 121.150 0.100 . 1 . . . A 41 ILE N . 34126 1 540 . 1 1 48 48 ILE H H 1 7.673 0.020 . 1 . . . A 42 ILE H . 34126 1 541 . 1 1 48 48 ILE HA H 1 3.757 0.020 . 1 . . . A 42 ILE HA . 34126 1 542 . 1 1 48 48 ILE HB H 1 1.802 0.020 . 1 . . . A 42 ILE HB . 34126 1 543 . 1 1 48 48 ILE HG12 H 1 1.759 0.020 . 2 . . . A 42 ILE HG12 . 34126 1 544 . 1 1 48 48 ILE HG13 H 1 1.146 0.020 . 2 . . . A 42 ILE HG13 . 34126 1 545 . 1 1 48 48 ILE HG21 H 1 0.844 0.020 . 1 . . . A 42 ILE HG21 . 34126 1 546 . 1 1 48 48 ILE HG22 H 1 0.844 0.020 . 1 . . . A 42 ILE HG22 . 34126 1 547 . 1 1 48 48 ILE HG23 H 1 0.844 0.020 . 1 . . . A 42 ILE HG23 . 34126 1 548 . 1 1 48 48 ILE HD11 H 1 0.869 0.020 . 1 . . . A 42 ILE HD11 . 34126 1 549 . 1 1 48 48 ILE HD12 H 1 0.869 0.020 . 1 . . . A 42 ILE HD12 . 34126 1 550 . 1 1 48 48 ILE HD13 H 1 0.869 0.020 . 1 . . . A 42 ILE HD13 . 34126 1 551 . 1 1 48 48 ILE CA C 13 64.674 0.100 . 1 . . . A 42 ILE CA . 34126 1 552 . 1 1 48 48 ILE CB C 13 37.931 0.100 . 1 . . . A 42 ILE CB . 34126 1 553 . 1 1 48 48 ILE CG1 C 13 28.844 0.100 . 1 . . . A 42 ILE CG1 . 34126 1 554 . 1 1 48 48 ILE CG2 C 13 18.348 0.100 . 1 . . . A 42 ILE CG2 . 34126 1 555 . 1 1 48 48 ILE CD1 C 13 13.328 0.100 . 1 . . . A 42 ILE CD1 . 34126 1 556 . 1 1 48 48 ILE N N 15 120.669 0.100 . 1 . . . A 42 ILE N . 34126 1 557 . 1 1 49 49 LEU H H 1 8.567 0.020 . 1 . . . A 43 LEU H . 34126 1 558 . 1 1 49 49 LEU HA H 1 4.050 0.020 . 1 . . . A 43 LEU HA . 34126 1 559 . 1 1 49 49 LEU HB2 H 1 1.442 0.020 . 2 . . . A 43 LEU HB2 . 34126 1 560 . 1 1 49 49 LEU HB3 H 1 2.045 0.020 . 2 . . . A 43 LEU HB3 . 34126 1 561 . 1 1 49 49 LEU HG H 1 0.798 0.020 . 1 . . . A 43 LEU HG . 34126 1 562 . 1 1 49 49 LEU HD11 H 1 0.926 0.020 . 2 . . . A 43 LEU HD11 . 34126 1 563 . 1 1 49 49 LEU HD12 H 1 0.926 0.020 . 2 . . . A 43 LEU HD12 . 34126 1 564 . 1 1 49 49 LEU HD13 H 1 0.926 0.020 . 2 . . . A 43 LEU HD13 . 34126 1 565 . 1 1 49 49 LEU HD21 H 1 1.633 0.020 . 2 . . . A 43 LEU HD21 . 34126 1 566 . 1 1 49 49 LEU HD22 H 1 1.633 0.020 . 2 . . . A 43 LEU HD22 . 34126 1 567 . 1 1 49 49 LEU HD23 H 1 1.633 0.020 . 2 . . . A 43 LEU HD23 . 34126 1 568 . 1 1 49 49 LEU CA C 13 58.443 0.100 . 1 . . . A 43 LEU CA . 34126 1 569 . 1 1 49 49 LEU CB C 13 42.136 0.100 . 1 . . . A 43 LEU CB . 34126 1 570 . 1 1 49 49 LEU CG C 13 26.319 0.100 . 1 . . . A 43 LEU CG . 34126 1 571 . 1 1 49 49 LEU CD1 C 13 23.531 0.100 . 2 . . . A 43 LEU CD1 . 34126 1 572 . 1 1 49 49 LEU CD2 C 13 26.811 0.100 . 2 . . . A 43 LEU CD2 . 34126 1 573 . 1 1 49 49 LEU N N 15 120.349 0.100 . 1 . . . A 43 LEU N . 34126 1 574 . 1 1 50 50 ALA H H 1 8.060 0.020 . 1 . . . A 44 ALA H . 34126 1 575 . 1 1 50 50 ALA HA H 1 4.057 0.020 . 1 . . . A 44 ALA HA . 34126 1 576 . 1 1 50 50 ALA HB1 H 1 1.557 0.020 . 1 . . . A 44 ALA HB1 . 34126 1 577 . 1 1 50 50 ALA HB2 H 1 1.557 0.020 . 1 . . . A 44 ALA HB2 . 34126 1 578 . 1 1 50 50 ALA HB3 H 1 1.557 0.020 . 1 . . . A 44 ALA HB3 . 34126 1 579 . 1 1 50 50 ALA CA C 13 55.436 0.100 . 1 . . . A 44 ALA CA . 34126 1 580 . 1 1 50 50 ALA CB C 13 17.877 0.100 . 1 . . . A 44 ALA CB . 34126 1 581 . 1 1 50 50 ALA N N 15 119.557 0.100 . 1 . . . A 44 ALA N . 34126 1 582 . 1 1 51 51 GLU H H 1 8.320 0.020 . 1 . . . A 45 GLU H . 34126 1 583 . 1 1 51 51 GLU HA H 1 4.070 0.020 . 1 . . . A 45 GLU HA . 34126 1 584 . 1 1 51 51 GLU HB2 H 1 2.234 0.020 . 2 . . . A 45 GLU HB2 . 34126 1 585 . 1 1 51 51 GLU HB3 H 1 2.112 0.020 . 2 . . . A 45 GLU HB3 . 34126 1 586 . 1 1 51 51 GLU HG2 H 1 2.232 0.020 . 2 . . . A 45 GLU HG2 . 34126 1 587 . 1 1 51 51 GLU HG3 H 1 2.559 0.020 . 2 . . . A 45 GLU HG3 . 34126 1 588 . 1 1 51 51 GLU CA C 13 59.348 0.100 . 1 . . . A 45 GLU CA . 34126 1 589 . 1 1 51 51 GLU CB C 13 29.553 0.100 . 1 . . . A 45 GLU CB . 34126 1 590 . 1 1 51 51 GLU CG C 13 36.730 0.100 . 1 . . . A 45 GLU CG . 34126 1 591 . 1 1 51 51 GLU N N 15 118.997 0.100 . 1 . . . A 45 GLU N . 34126 1 592 . 1 1 52 52 TYR H H 1 8.388 0.020 . 1 . . . A 46 TYR H . 34126 1 593 . 1 1 52 52 TYR HA H 1 4.930 0.020 . 1 . . . A 46 TYR HA . 34126 1 594 . 1 1 52 52 TYR HB2 H 1 3.293 0.020 . 1 . . . A 46 TYR HB2 . 34126 1 595 . 1 1 52 52 TYR HB3 H 1 3.293 0.020 . 1 . . . A 46 TYR HB3 . 34126 1 596 . 1 1 52 52 TYR HD1 H 1 7.109 0.020 . 1 . . . A 46 TYR HD1 . 34126 1 597 . 1 1 52 52 TYR HD2 H 1 7.109 0.020 . 1 . . . A 46 TYR HD2 . 34126 1 598 . 1 1 52 52 TYR HE1 H 1 6.734 0.020 . 1 . . . A 46 TYR HE1 . 34126 1 599 . 1 1 52 52 TYR HE2 H 1 6.734 0.020 . 1 . . . A 46 TYR HE2 . 34126 1 600 . 1 1 52 52 TYR CA C 13 57.987 0.100 . 1 . . . A 46 TYR CA . 34126 1 601 . 1 1 52 52 TYR CB C 13 38.204 0.100 . 1 . . . A 46 TYR CB . 34126 1 602 . 1 1 52 52 TYR CD1 C 13 132.233 0.100 . 3 . . . A 46 TYR CD1 . 34126 1 603 . 1 1 52 52 TYR CD2 C 13 132.233 0.100 . 3 . . . A 46 TYR CD2 . 34126 1 604 . 1 1 52 52 TYR CE1 C 13 118.158 0.100 . 3 . . . A 46 TYR CE1 . 34126 1 605 . 1 1 52 52 TYR CE2 C 13 118.158 0.100 . 3 . . . A 46 TYR CE2 . 34126 1 606 . 1 1 52 52 TYR N N 15 122.222 0.100 . 1 . . . A 46 TYR N . 34126 1 607 . 1 1 53 53 ILE H H 1 8.599 0.020 . 1 . . . A 47 ILE H . 34126 1 608 . 1 1 53 53 ILE HA H 1 3.020 0.020 . 1 . . . A 47 ILE HA . 34126 1 609 . 1 1 53 53 ILE HB H 1 1.772 0.020 . 1 . . . A 47 ILE HB . 34126 1 610 . 1 1 53 53 ILE HG12 H 1 0.712 0.020 . 2 . . . A 47 ILE HG12 . 34126 1 611 . 1 1 53 53 ILE HG13 H 1 1.795 0.020 . 2 . . . A 47 ILE HG13 . 34126 1 612 . 1 1 53 53 ILE HG21 H 1 0.828 0.020 . 1 . . . A 47 ILE HG21 . 34126 1 613 . 1 1 53 53 ILE HG22 H 1 0.828 0.020 . 1 . . . A 47 ILE HG22 . 34126 1 614 . 1 1 53 53 ILE HG23 H 1 0.828 0.020 . 1 . . . A 47 ILE HG23 . 34126 1 615 . 1 1 53 53 ILE HD11 H 1 0.862 0.020 . 1 . . . A 47 ILE HD11 . 34126 1 616 . 1 1 53 53 ILE HD12 H 1 0.862 0.020 . 1 . . . A 47 ILE HD12 . 34126 1 617 . 1 1 53 53 ILE HD13 H 1 0.862 0.020 . 1 . . . A 47 ILE HD13 . 34126 1 618 . 1 1 53 53 ILE CA C 13 66.035 0.100 . 1 . . . A 47 ILE CA . 34126 1 619 . 1 1 53 53 ILE CB C 13 38.206 0.100 . 1 . . . A 47 ILE CB . 34126 1 620 . 1 1 53 53 ILE CG1 C 13 31.123 0.100 . 1 . . . A 47 ILE CG1 . 34126 1 621 . 1 1 53 53 ILE CG2 C 13 17.340 0.100 . 1 . . . A 47 ILE CG2 . 34126 1 622 . 1 1 53 53 ILE CD1 C 13 14.241 0.100 . 1 . . . A 47 ILE CD1 . 34126 1 623 . 1 1 53 53 ILE N N 15 118.454 0.100 . 1 . . . A 47 ILE N . 34126 1 624 . 1 1 54 54 ALA H H 1 7.962 0.020 . 1 . . . A 48 ALA H . 34126 1 625 . 1 1 54 54 ALA HA H 1 4.084 0.020 . 1 . . . A 48 ALA HA . 34126 1 626 . 1 1 54 54 ALA HB1 H 1 1.510 0.020 . 1 . . . A 48 ALA HB1 . 34126 1 627 . 1 1 54 54 ALA HB2 H 1 1.510 0.020 . 1 . . . A 48 ALA HB2 . 34126 1 628 . 1 1 54 54 ALA HB3 H 1 1.510 0.020 . 1 . . . A 48 ALA HB3 . 34126 1 629 . 1 1 54 54 ALA CA C 13 54.682 0.100 . 1 . . . A 48 ALA CA . 34126 1 630 . 1 1 54 54 ALA CB C 13 17.955 0.100 . 1 . . . A 48 ALA CB . 34126 1 631 . 1 1 54 54 ALA N N 15 120.293 0.100 . 1 . . . A 48 ALA N . 34126 1 632 . 1 1 55 55 GLU H H 1 7.900 0.020 . 1 . . . A 49 GLU H . 34126 1 633 . 1 1 55 55 GLU HA H 1 4.132 0.020 . 1 . . . A 49 GLU HA . 34126 1 634 . 1 1 55 55 GLU HB2 H 1 2.381 0.020 . 1 . . . A 49 GLU HB2 . 34126 1 635 . 1 1 55 55 GLU HB3 H 1 2.381 0.020 . 1 . . . A 49 GLU HB3 . 34126 1 636 . 1 1 55 55 GLU HG2 H 1 2.184 0.020 . 2 . . . A 49 GLU HG2 . 34126 1 637 . 1 1 55 55 GLU HG3 H 1 2.474 0.020 . 2 . . . A 49 GLU HG3 . 34126 1 638 . 1 1 55 55 GLU CA C 13 59.301 0.100 . 1 . . . A 49 GLU CA . 34126 1 639 . 1 1 55 55 GLU CB C 13 30.598 0.100 . 1 . . . A 49 GLU CB . 34126 1 640 . 1 1 55 55 GLU CG C 13 36.062 0.100 . 1 . . . A 49 GLU CG . 34126 1 641 . 1 1 55 55 GLU N N 15 117.599 0.100 . 1 . . . A 49 GLU N . 34126 1 642 . 1 1 56 56 VAL H H 1 7.802 0.020 . 1 . . . A 50 VAL H . 34126 1 643 . 1 1 56 56 VAL HA H 1 4.605 0.020 . 1 . . . A 50 VAL HA . 34126 1 644 . 1 1 56 56 VAL HB H 1 2.244 0.020 . 1 . . . A 50 VAL HB . 34126 1 645 . 1 1 56 56 VAL HG11 H 1 0.644 0.020 . 2 . . . A 50 VAL HG11 . 34126 1 646 . 1 1 56 56 VAL HG12 H 1 0.644 0.020 . 2 . . . A 50 VAL HG12 . 34126 1 647 . 1 1 56 56 VAL HG13 H 1 0.644 0.020 . 2 . . . A 50 VAL HG13 . 34126 1 648 . 1 1 56 56 VAL HG21 H 1 1.023 0.020 . 2 . . . A 50 VAL HG21 . 34126 1 649 . 1 1 56 56 VAL HG22 H 1 1.023 0.020 . 2 . . . A 50 VAL HG22 . 34126 1 650 . 1 1 56 56 VAL HG23 H 1 1.023 0.020 . 2 . . . A 50 VAL HG23 . 34126 1 651 . 1 1 56 56 VAL CA C 13 61.606 0.100 . 1 . . . A 50 VAL CA . 34126 1 652 . 1 1 56 56 VAL CB C 13 33.815 0.100 . 1 . . . A 50 VAL CB . 34126 1 653 . 1 1 56 56 VAL CG1 C 13 18.808 0.100 . 2 . . . A 50 VAL CG1 . 34126 1 654 . 1 1 56 56 VAL CG2 C 13 21.681 0.100 . 2 . . . A 50 VAL CG2 . 34126 1 655 . 1 1 56 56 VAL N N 15 107.078 0.100 . 1 . . . A 50 VAL N . 34126 1 656 . 1 1 57 57 GLY H H 1 8.272 0.020 . 1 . . . A 51 GLY H . 34126 1 657 . 1 1 57 57 GLY HA2 H 1 3.749 0.020 . 1 . . . A 51 GLY HA2 . 34126 1 658 . 1 1 57 57 GLY HA3 H 1 4.505 0.020 . 2 . . . A 51 GLY HA3 . 34126 1 659 . 1 1 57 57 GLY CA C 13 44.332 0.100 . 1 . . . A 51 GLY CA . 34126 1 660 . 1 1 57 57 GLY N N 15 112.702 0.100 . 1 . . . A 51 GLY N . 34126 1 661 . 1 1 58 58 LEU H H 1 8.780 0.020 . 1 . . . A 52 LEU H . 34126 1 662 . 1 1 58 58 LEU HA H 1 3.818 0.020 . 1 . . . A 52 LEU HA . 34126 1 663 . 1 1 58 58 LEU HB2 H 1 1.575 0.020 . 2 . . . A 52 LEU HB2 . 34126 1 664 . 1 1 58 58 LEU HB3 H 1 1.683 0.020 . 2 . . . A 52 LEU HB3 . 34126 1 665 . 1 1 58 58 LEU HD11 H 1 0.894 0.020 . 2 . . . A 52 LEU HD11 . 34126 1 666 . 1 1 58 58 LEU HD12 H 1 0.894 0.020 . 2 . . . A 52 LEU HD12 . 34126 1 667 . 1 1 58 58 LEU HD13 H 1 0.894 0.020 . 2 . . . A 52 LEU HD13 . 34126 1 668 . 1 1 58 58 LEU HD21 H 1 0.918 0.020 . 2 . . . A 52 LEU HD21 . 34126 1 669 . 1 1 58 58 LEU HD22 H 1 0.918 0.020 . 2 . . . A 52 LEU HD22 . 34126 1 670 . 1 1 58 58 LEU HD23 H 1 0.918 0.020 . 2 . . . A 52 LEU HD23 . 34126 1 671 . 1 1 58 58 LEU CA C 13 58.533 0.100 . 1 . . . A 52 LEU CA . 34126 1 672 . 1 1 58 58 LEU CB C 13 42.340 0.100 . 1 . . . A 52 LEU CB . 34126 1 673 . 1 1 58 58 LEU CD1 C 13 25.408 0.100 . 2 . . . A 52 LEU CD1 . 34126 1 674 . 1 1 58 58 LEU CD2 C 13 23.531 0.100 . 2 . . . A 52 LEU CD2 . 34126 1 675 . 1 1 58 58 LEU N N 15 124.280 0.100 . 1 . . . A 52 LEU N . 34126 1 676 . 1 1 59 59 GLN H H 1 8.942 0.020 . 1 . . . A 53 GLN H . 34126 1 677 . 1 1 59 59 GLN HA H 1 4.145 0.020 . 1 . . . A 53 GLN HA . 34126 1 678 . 1 1 59 59 GLN HB2 H 1 2.010 0.020 . 2 . . . A 53 GLN HB2 . 34126 1 679 . 1 1 59 59 GLN HB3 H 1 2.071 0.020 . 2 . . . A 53 GLN HB3 . 34126 1 680 . 1 1 59 59 GLN HG2 H 1 2.435 0.020 . 2 . . . A 53 GLN HG2 . 34126 1 681 . 1 1 59 59 GLN HG3 H 1 2.345 0.020 . 2 . . . A 53 GLN HG3 . 34126 1 682 . 1 1 59 59 GLN HE21 H 1 7.651 0.020 . 2 . . . A 53 GLN HE21 . 34126 1 683 . 1 1 59 59 GLN HE22 H 1 7.004 0.020 . 2 . . . A 53 GLN HE22 . 34126 1 684 . 1 1 59 59 GLN CA C 13 57.309 0.100 . 1 . . . A 53 GLN CA . 34126 1 685 . 1 1 59 59 GLN CB C 13 27.912 0.100 . 1 . . . A 53 GLN CB . 34126 1 686 . 1 1 59 59 GLN CG C 13 33.544 0.100 . 1 . . . A 53 GLN CG . 34126 1 687 . 1 1 59 59 GLN N N 15 112.850 0.100 . 1 . . . A 53 GLN N . 34126 1 688 . 1 1 59 59 GLN NE2 N 15 111.866 0.100 . 1 . . . A 53 GLN NE2 . 34126 1 689 . 1 1 60 60 ASN H H 1 7.770 0.020 . 1 . . . A 54 ASN H . 34126 1 690 . 1 1 60 60 ASN HA H 1 4.941 0.020 . 1 . . . A 54 ASN HA . 34126 1 691 . 1 1 60 60 ASN HB2 H 1 2.855 0.020 . 2 . . . A 54 ASN HB2 . 34126 1 692 . 1 1 60 60 ASN HB3 H 1 2.553 0.020 . 2 . . . A 54 ASN HB3 . 34126 1 693 . 1 1 60 60 ASN HD21 H 1 8.101 0.020 . 2 . . . A 54 ASN HD21 . 34126 1 694 . 1 1 60 60 ASN HD22 H 1 7.099 0.020 . 2 . . . A 54 ASN HD22 . 34126 1 695 . 1 1 60 60 ASN CA C 13 52.747 0.100 . 1 . . . A 54 ASN CA . 34126 1 696 . 1 1 60 60 ASN CB C 13 39.880 0.100 . 1 . . . A 54 ASN CB . 34126 1 697 . 1 1 60 60 ASN N N 15 113.950 0.100 . 1 . . . A 54 ASN N . 34126 1 698 . 1 1 60 60 ASN ND2 N 15 115.009 0.100 . 1 . . . A 54 ASN ND2 . 34126 1 699 . 1 1 61 61 ILE H H 1 6.944 0.020 . 1 . . . A 55 ILE H . 34126 1 700 . 1 1 61 61 ILE HA H 1 4.109 0.020 . 1 . . . A 55 ILE HA . 34126 1 701 . 1 1 61 61 ILE HB H 1 1.724 0.020 . 1 . . . A 55 ILE HB . 34126 1 702 . 1 1 61 61 ILE HG12 H 1 1.422 0.020 . 2 . . . A 55 ILE HG12 . 34126 1 703 . 1 1 61 61 ILE HG13 H 1 1.326 0.020 . 2 . . . A 55 ILE HG13 . 34126 1 704 . 1 1 61 61 ILE HG21 H 1 0.348 0.020 . 1 . . . A 55 ILE HG21 . 34126 1 705 . 1 1 61 61 ILE HG22 H 1 0.348 0.020 . 1 . . . A 55 ILE HG22 . 34126 1 706 . 1 1 61 61 ILE HG23 H 1 0.348 0.020 . 1 . . . A 55 ILE HG23 . 34126 1 707 . 1 1 61 61 ILE HD11 H 1 0.653 0.020 . 1 . . . A 55 ILE HD11 . 34126 1 708 . 1 1 61 61 ILE HD12 H 1 0.653 0.020 . 1 . . . A 55 ILE HD12 . 34126 1 709 . 1 1 61 61 ILE HD13 H 1 0.653 0.020 . 1 . . . A 55 ILE HD13 . 34126 1 710 . 1 1 61 61 ILE CA C 13 62.231 0.100 . 1 . . . A 55 ILE CA . 34126 1 711 . 1 1 61 61 ILE CB C 13 39.056 0.100 . 1 . . . A 55 ILE CB . 34126 1 712 . 1 1 61 61 ILE CG1 C 13 24.640 0.100 . 1 . . . A 55 ILE CG1 . 34126 1 713 . 1 1 61 61 ILE CG2 C 13 17.527 0.100 . 1 . . . A 55 ILE CG2 . 34126 1 714 . 1 1 61 61 ILE CD1 C 13 14.359 0.100 . 1 . . . A 55 ILE CD1 . 34126 1 715 . 1 1 61 61 ILE N N 15 116.754 0.100 . 1 . . . A 55 ILE N . 34126 1 716 . 1 1 62 62 THR H H 1 8.111 0.020 . 1 . . . A 56 THR H . 34126 1 717 . 1 1 62 62 THR HA H 1 4.896 0.020 . 1 . . . A 56 THR HA . 34126 1 718 . 1 1 62 62 THR HB H 1 4.568 0.020 . 1 . . . A 56 THR HB . 34126 1 719 . 1 1 62 62 THR HG21 H 1 1.269 0.020 . 1 . . . A 56 THR HG21 . 34126 1 720 . 1 1 62 62 THR HG22 H 1 1.269 0.020 . 1 . . . A 56 THR HG22 . 34126 1 721 . 1 1 62 62 THR HG23 H 1 1.269 0.020 . 1 . . . A 56 THR HG23 . 34126 1 722 . 1 1 62 62 THR CA C 13 58.718 0.100 . 1 . . . A 56 THR CA . 34126 1 723 . 1 1 62 62 THR CB C 13 72.028 0.100 . 1 . . . A 56 THR CB . 34126 1 724 . 1 1 62 62 THR CG2 C 13 21.645 0.100 . 1 . . . A 56 THR CG2 . 34126 1 725 . 1 1 62 62 THR N N 15 111.670 0.100 . 1 . . . A 56 THR N . 34126 1 726 . 1 1 63 63 ALA H H 1 9.156 0.020 . 1 . . . A 57 ALA H . 34126 1 727 . 1 1 63 63 ALA HA H 1 3.919 0.020 . 1 . . . A 57 ALA HA . 34126 1 728 . 1 1 63 63 ALA HB1 H 1 1.496 0.020 . 1 . . . A 57 ALA HB1 . 34126 1 729 . 1 1 63 63 ALA HB2 H 1 1.496 0.020 . 1 . . . A 57 ALA HB2 . 34126 1 730 . 1 1 63 63 ALA HB3 H 1 1.496 0.020 . 1 . . . A 57 ALA HB3 . 34126 1 731 . 1 1 63 63 ALA CA C 13 55.547 0.100 . 1 . . . A 57 ALA CA . 34126 1 732 . 1 1 63 63 ALA CB C 13 18.514 0.100 . 1 . . . A 57 ALA CB . 34126 1 733 . 1 1 63 63 ALA N N 15 124.334 0.100 . 1 . . . A 57 ALA N . 34126 1 734 . 1 1 64 64 ILE H H 1 8.486 0.020 . 1 . . . A 58 ILE H . 34126 1 735 . 1 1 64 64 ILE HA H 1 3.852 0.020 . 1 . . . A 58 ILE HA . 34126 1 736 . 1 1 64 64 ILE HB H 1 1.871 0.020 . 1 . . . A 58 ILE HB . 34126 1 737 . 1 1 64 64 ILE HG12 H 1 1.573 0.020 . 2 . . . A 58 ILE HG12 . 34126 1 738 . 1 1 64 64 ILE HG13 H 1 1.299 0.020 . 2 . . . A 58 ILE HG13 . 34126 1 739 . 1 1 64 64 ILE HG21 H 1 0.954 0.020 . 1 . . . A 58 ILE HG21 . 34126 1 740 . 1 1 64 64 ILE HG22 H 1 0.954 0.020 . 1 . . . A 58 ILE HG22 . 34126 1 741 . 1 1 64 64 ILE HG23 H 1 0.954 0.020 . 1 . . . A 58 ILE HG23 . 34126 1 742 . 1 1 64 64 ILE HD11 H 1 0.948 0.020 . 1 . . . A 58 ILE HD11 . 34126 1 743 . 1 1 64 64 ILE HD12 H 1 0.948 0.020 . 1 . . . A 58 ILE HD12 . 34126 1 744 . 1 1 64 64 ILE HD13 H 1 0.948 0.020 . 1 . . . A 58 ILE HD13 . 34126 1 745 . 1 1 64 64 ILE CA C 13 64.404 0.100 . 1 . . . A 58 ILE CA . 34126 1 746 . 1 1 64 64 ILE CB C 13 37.661 0.100 . 1 . . . A 58 ILE CB . 34126 1 747 . 1 1 64 64 ILE CG1 C 13 29.315 0.100 . 1 . . . A 58 ILE CG1 . 34126 1 748 . 1 1 64 64 ILE CG2 C 13 17.464 0.100 . 1 . . . A 58 ILE CG2 . 34126 1 749 . 1 1 64 64 ILE CD1 C 13 13.117 0.100 . 1 . . . A 58 ILE CD1 . 34126 1 750 . 1 1 64 64 ILE N N 15 116.394 0.100 . 1 . . . A 58 ILE N . 34126 1 751 . 1 1 65 65 THR H H 1 7.622 0.020 . 1 . . . A 59 THR H . 34126 1 752 . 1 1 65 65 THR HA H 1 3.960 0.020 . 1 . . . A 59 THR HA . 34126 1 753 . 1 1 65 65 THR HB H 1 4.435 0.020 . 1 . . . A 59 THR HB . 34126 1 754 . 1 1 65 65 THR HG21 H 1 0.968 0.020 . 1 . . . A 59 THR HG21 . 34126 1 755 . 1 1 65 65 THR HG22 H 1 0.968 0.020 . 1 . . . A 59 THR HG22 . 34126 1 756 . 1 1 65 65 THR HG23 H 1 0.968 0.020 . 1 . . . A 59 THR HG23 . 34126 1 757 . 1 1 65 65 THR CA C 13 66.537 0.100 . 1 . . . A 59 THR CA . 34126 1 758 . 1 1 65 65 THR CB C 13 67.869 0.100 . 1 . . . A 59 THR CB . 34126 1 759 . 1 1 65 65 THR CG2 C 13 23.335 0.100 . 1 . . . A 59 THR CG2 . 34126 1 760 . 1 1 65 65 THR N N 15 118.354 0.100 . 1 . . . A 59 THR N . 34126 1 761 . 1 1 66 66 LEU H H 1 8.779 0.020 . 1 . . . A 60 LEU H . 34126 1 762 . 1 1 66 66 LEU HA H 1 3.836 0.020 . 1 . . . A 60 LEU HA . 34126 1 763 . 1 1 66 66 LEU HB2 H 1 1.808 0.020 . 2 . . . A 60 LEU HB2 . 34126 1 764 . 1 1 66 66 LEU HB3 H 1 1.907 0.020 . 2 . . . A 60 LEU HB3 . 34126 1 765 . 1 1 66 66 LEU HG H 1 1.578 0.020 . 1 . . . A 60 LEU HG . 34126 1 766 . 1 1 66 66 LEU HD11 H 1 0.955 0.020 . 2 . . . A 60 LEU HD11 . 34126 1 767 . 1 1 66 66 LEU HD12 H 1 0.955 0.020 . 2 . . . A 60 LEU HD12 . 34126 1 768 . 1 1 66 66 LEU HD13 H 1 0.955 0.020 . 2 . . . A 60 LEU HD13 . 34126 1 769 . 1 1 66 66 LEU HD21 H 1 1.012 0.020 . 2 . . . A 60 LEU HD21 . 34126 1 770 . 1 1 66 66 LEU HD22 H 1 1.012 0.020 . 2 . . . A 60 LEU HD22 . 34126 1 771 . 1 1 66 66 LEU HD23 H 1 1.012 0.020 . 2 . . . A 60 LEU HD23 . 34126 1 772 . 1 1 66 66 LEU CA C 13 58.540 0.100 . 1 . . . A 60 LEU CA . 34126 1 773 . 1 1 66 66 LEU CB C 13 42.487 0.100 . 1 . . . A 60 LEU CB . 34126 1 774 . 1 1 66 66 LEU CG C 13 26.835 0.100 . 1 . . . A 60 LEU CG . 34126 1 775 . 1 1 66 66 LEU CD1 C 13 26.010 0.100 . 2 . . . A 60 LEU CD1 . 34126 1 776 . 1 1 66 66 LEU CD2 C 13 25.380 0.100 . 2 . . . A 60 LEU CD2 . 34126 1 777 . 1 1 66 66 LEU N N 15 121.989 0.100 . 1 . . . A 60 LEU N . 34126 1 778 . 1 1 67 67 SER H H 1 8.395 0.020 . 1 . . . A 61 SER H . 34126 1 779 . 1 1 67 67 SER HA H 1 3.967 0.020 . 1 . . . A 61 SER HA . 34126 1 780 . 1 1 67 67 SER HB2 H 1 3.965 0.020 . 2 . . . A 61 SER HB2 . 34126 1 781 . 1 1 67 67 SER HB3 H 1 4.056 0.020 . 2 . . . A 61 SER HB3 . 34126 1 782 . 1 1 67 67 SER CA C 13 61.184 0.100 . 1 . . . A 61 SER CA . 34126 1 783 . 1 1 67 67 SER CB C 13 62.128 0.100 . 1 . . . A 61 SER CB . 34126 1 784 . 1 1 67 67 SER N N 15 112.709 0.100 . 1 . . . A 61 SER N . 34126 1 785 . 1 1 68 68 LYS H H 1 7.226 0.020 . 1 . . . A 62 LYS H . 34126 1 786 . 1 1 68 68 LYS HA H 1 4.195 0.020 . 1 . . . A 62 LYS HA . 34126 1 787 . 1 1 68 68 LYS HB2 H 1 1.949 0.020 . 1 . . . A 62 LYS HB2 . 34126 1 788 . 1 1 68 68 LYS HB3 H 1 1.949 0.020 . 1 . . . A 62 LYS HB3 . 34126 1 789 . 1 1 68 68 LYS HG2 H 1 1.610 0.020 . 1 . . . A 62 LYS HG2 . 34126 1 790 . 1 1 68 68 LYS HG3 H 1 1.610 0.020 . 1 . . . A 62 LYS HG3 . 34126 1 791 . 1 1 68 68 LYS HD2 H 1 1.676 0.020 . 1 . . . A 62 LYS HD2 . 34126 1 792 . 1 1 68 68 LYS HD3 H 1 1.676 0.020 . 1 . . . A 62 LYS HD3 . 34126 1 793 . 1 1 68 68 LYS HE2 H 1 2.939 0.020 . 1 . . . A 62 LYS HE2 . 34126 1 794 . 1 1 68 68 LYS HE3 H 1 2.939 0.020 . 1 . . . A 62 LYS HE3 . 34126 1 795 . 1 1 68 68 LYS CA C 13 58.512 0.100 . 1 . . . A 62 LYS CA . 34126 1 796 . 1 1 68 68 LYS CB C 13 32.474 0.100 . 1 . . . A 62 LYS CB . 34126 1 797 . 1 1 68 68 LYS CG C 13 25.051 0.100 . 1 . . . A 62 LYS CG . 34126 1 798 . 1 1 68 68 LYS CD C 13 29.070 0.100 . 1 . . . A 62 LYS CD . 34126 1 799 . 1 1 68 68 LYS CE C 13 42.167 0.100 . 1 . . . A 62 LYS CE . 34126 1 800 . 1 1 68 68 LYS N N 15 120.318 0.100 . 1 . . . A 62 LYS N . 34126 1 801 . 1 1 69 69 LYS H H 1 8.222 0.020 . 1 . . . A 63 LYS H . 34126 1 802 . 1 1 69 69 LYS HA H 1 3.991 0.020 . 1 . . . A 63 LYS HA . 34126 1 803 . 1 1 69 69 LYS HB2 H 1 1.483 0.020 . 2 . . . A 63 LYS HB2 . 34126 1 804 . 1 1 69 69 LYS HB3 H 1 1.589 0.020 . 2 . . . A 63 LYS HB3 . 34126 1 805 . 1 1 69 69 LYS HG2 H 1 1.197 0.020 . 2 . . . A 63 LYS HG2 . 34126 1 806 . 1 1 69 69 LYS HG3 H 1 1.069 0.020 . 2 . . . A 63 LYS HG3 . 34126 1 807 . 1 1 69 69 LYS HD2 H 1 1.176 0.020 . 2 . . . A 63 LYS HD2 . 34126 1 808 . 1 1 69 69 LYS HD3 H 1 0.807 0.020 . 2 . . . A 63 LYS HD3 . 34126 1 809 . 1 1 69 69 LYS HE2 H 1 2.359 0.020 . 1 . . . A 63 LYS HE2 . 34126 1 810 . 1 1 69 69 LYS HE3 H 1 2.359 0.020 . 1 . . . A 63 LYS HE3 . 34126 1 811 . 1 1 69 69 LYS CA C 13 58.735 0.100 . 1 . . . A 63 LYS CA . 34126 1 812 . 1 1 69 69 LYS CB C 13 32.872 0.100 . 1 . . . A 63 LYS CB . 34126 1 813 . 1 1 69 69 LYS CG C 13 25.512 0.100 . 1 . . . A 63 LYS CG . 34126 1 814 . 1 1 69 69 LYS CD C 13 28.795 0.100 . 1 . . . A 63 LYS CD . 34126 1 815 . 1 1 69 69 LYS CE C 13 41.615 0.100 . 1 . . . A 63 LYS CE . 34126 1 816 . 1 1 69 69 LYS N N 15 117.478 0.100 . 1 . . . A 63 LYS N . 34126 1 817 . 1 1 70 70 LEU H H 1 8.121 0.020 . 1 . . . A 64 LEU H . 34126 1 818 . 1 1 70 70 LEU HA H 1 4.360 0.020 . 1 . . . A 64 LEU HA . 34126 1 819 . 1 1 70 70 LEU HB2 H 1 1.529 0.020 . 2 . . . A 64 LEU HB2 . 34126 1 820 . 1 1 70 70 LEU HB3 H 1 1.645 0.020 . 2 . . . A 64 LEU HB3 . 34126 1 821 . 1 1 70 70 LEU HG H 1 1.698 0.020 . 1 . . . A 64 LEU HG . 34126 1 822 . 1 1 70 70 LEU HD11 H 1 0.718 0.020 . 2 . . . A 64 LEU HD11 . 34126 1 823 . 1 1 70 70 LEU HD12 H 1 0.718 0.020 . 2 . . . A 64 LEU HD12 . 34126 1 824 . 1 1 70 70 LEU HD13 H 1 0.718 0.020 . 2 . . . A 64 LEU HD13 . 34126 1 825 . 1 1 70 70 LEU HD21 H 1 0.785 0.020 . 2 . . . A 64 LEU HD21 . 34126 1 826 . 1 1 70 70 LEU HD22 H 1 0.785 0.020 . 2 . . . A 64 LEU HD22 . 34126 1 827 . 1 1 70 70 LEU HD23 H 1 0.785 0.020 . 2 . . . A 64 LEU HD23 . 34126 1 828 . 1 1 70 70 LEU CA C 13 54.680 0.100 . 1 . . . A 64 LEU CA . 34126 1 829 . 1 1 70 70 LEU CB C 13 42.776 0.100 . 1 . . . A 64 LEU CB . 34126 1 830 . 1 1 70 70 LEU CG C 13 27.890 0.100 . 1 . . . A 64 LEU CG . 34126 1 831 . 1 1 70 70 LEU CD1 C 13 25.640 0.100 . 2 . . . A 64 LEU CD1 . 34126 1 832 . 1 1 70 70 LEU CD2 C 13 23.986 0.100 . 2 . . . A 64 LEU CD2 . 34126 1 833 . 1 1 70 70 LEU N N 15 112.811 0.100 . 1 . . . A 64 LEU N . 34126 1 834 . 1 1 71 71 ASN H H 1 7.821 0.020 . 1 . . . A 65 ASN H . 34126 1 835 . 1 1 71 71 ASN HA H 1 4.461 0.020 . 1 . . . A 65 ASN HA . 34126 1 836 . 1 1 71 71 ASN HB2 H 1 2.696 0.020 . 2 . . . A 65 ASN HB2 . 34126 1 837 . 1 1 71 71 ASN HB3 H 1 3.257 0.020 . 2 . . . A 65 ASN HB3 . 34126 1 838 . 1 1 71 71 ASN HD21 H 1 7.572 0.020 . 2 . . . A 65 ASN HD21 . 34126 1 839 . 1 1 71 71 ASN HD22 H 1 6.846 0.020 . 2 . . . A 65 ASN HD22 . 34126 1 840 . 1 1 71 71 ASN CA C 13 54.488 0.100 . 1 . . . A 65 ASN CA . 34126 1 841 . 1 1 71 71 ASN CB C 13 36.876 0.100 . 1 . . . A 65 ASN CB . 34126 1 842 . 1 1 71 71 ASN N N 15 117.507 0.100 . 1 . . . A 65 ASN N . 34126 1 843 . 1 1 71 71 ASN ND2 N 15 111.439 0.100 . 1 . . . A 65 ASN ND2 . 34126 1 844 . 1 1 72 72 ILE H H 1 7.970 0.020 . 1 . . . A 66 ILE H . 34126 1 845 . 1 1 72 72 ILE HA H 1 4.976 0.020 . 1 . . . A 66 ILE HA . 34126 1 846 . 1 1 72 72 ILE HB H 1 2.050 0.020 . 1 . . . A 66 ILE HB . 34126 1 847 . 1 1 72 72 ILE HG12 H 1 1.491 0.020 . 2 . . . A 66 ILE HG12 . 34126 1 848 . 1 1 72 72 ILE HG13 H 1 0.957 0.020 . 2 . . . A 66 ILE HG13 . 34126 1 849 . 1 1 72 72 ILE HG21 H 1 0.832 0.020 . 1 . . . A 66 ILE HG21 . 34126 1 850 . 1 1 72 72 ILE HG22 H 1 0.832 0.020 . 1 . . . A 66 ILE HG22 . 34126 1 851 . 1 1 72 72 ILE HG23 H 1 0.832 0.020 . 1 . . . A 66 ILE HG23 . 34126 1 852 . 1 1 72 72 ILE HD11 H 1 0.651 0.020 . 1 . . . A 66 ILE HD11 . 34126 1 853 . 1 1 72 72 ILE HD12 H 1 0.651 0.020 . 1 . . . A 66 ILE HD12 . 34126 1 854 . 1 1 72 72 ILE HD13 H 1 0.651 0.020 . 1 . . . A 66 ILE HD13 . 34126 1 855 . 1 1 72 72 ILE CA C 13 58.963 0.100 . 1 . . . A 66 ILE CA . 34126 1 856 . 1 1 72 72 ILE CB C 13 41.984 0.100 . 1 . . . A 66 ILE CB . 34126 1 857 . 1 1 72 72 ILE CG1 C 13 24.666 0.100 . 1 . . . A 66 ILE CG1 . 34126 1 858 . 1 1 72 72 ILE CG2 C 13 16.825 0.100 . 1 . . . A 66 ILE CG2 . 34126 1 859 . 1 1 72 72 ILE CD1 C 13 13.230 0.100 . 1 . . . A 66 ILE CD1 . 34126 1 860 . 1 1 72 72 ILE N N 15 109.847 0.100 . 1 . . . A 66 ILE N . 34126 1 861 . 1 1 73 73 THR H H 1 8.057 0.020 . 1 . . . A 67 THR H . 34126 1 862 . 1 1 73 73 THR HA H 1 4.400 0.020 . 1 . . . A 67 THR HA . 34126 1 863 . 1 1 73 73 THR HB H 1 4.821 0.020 . 1 . . . A 67 THR HB . 34126 1 864 . 1 1 73 73 THR HG21 H 1 1.409 0.020 . 1 . . . A 67 THR HG21 . 34126 1 865 . 1 1 73 73 THR HG22 H 1 1.409 0.020 . 1 . . . A 67 THR HG22 . 34126 1 866 . 1 1 73 73 THR HG23 H 1 1.409 0.020 . 1 . . . A 67 THR HG23 . 34126 1 867 . 1 1 73 73 THR CA C 13 61.271 0.100 . 1 . . . A 67 THR CA . 34126 1 868 . 1 1 73 73 THR CB C 13 70.475 0.100 . 1 . . . A 67 THR CB . 34126 1 869 . 1 1 73 73 THR CG2 C 13 22.288 0.100 . 1 . . . A 67 THR CG2 . 34126 1 870 . 1 1 73 73 THR N N 15 110.188 0.100 . 1 . . . A 67 THR N . 34126 1 871 . 1 1 74 74 VAL H H 1 8.892 0.020 . 1 . . . A 68 VAL H . 34126 1 872 . 1 1 74 74 VAL HA H 1 3.636 0.020 . 1 . . . A 68 VAL HA . 34126 1 873 . 1 1 74 74 VAL HB H 1 2.075 0.020 . 1 . . . A 68 VAL HB . 34126 1 874 . 1 1 74 74 VAL HG11 H 1 0.937 0.020 . 2 . . . A 68 VAL HG11 . 34126 1 875 . 1 1 74 74 VAL HG12 H 1 0.937 0.020 . 2 . . . A 68 VAL HG12 . 34126 1 876 . 1 1 74 74 VAL HG13 H 1 0.937 0.020 . 2 . . . A 68 VAL HG13 . 34126 1 877 . 1 1 74 74 VAL HG21 H 1 1.121 0.020 . 2 . . . A 68 VAL HG21 . 34126 1 878 . 1 1 74 74 VAL HG22 H 1 1.121 0.020 . 2 . . . A 68 VAL HG22 . 34126 1 879 . 1 1 74 74 VAL HG23 H 1 1.121 0.020 . 2 . . . A 68 VAL HG23 . 34126 1 880 . 1 1 74 74 VAL CA C 13 66.983 0.100 . 1 . . . A 68 VAL CA . 34126 1 881 . 1 1 74 74 VAL CB C 13 31.432 0.100 . 1 . . . A 68 VAL CB . 34126 1 882 . 1 1 74 74 VAL CG1 C 13 21.455 0.100 . 2 . . . A 68 VAL CG1 . 34126 1 883 . 1 1 74 74 VAL CG2 C 13 23.563 0.100 . 2 . . . A 68 VAL CG2 . 34126 1 884 . 1 1 74 74 VAL N N 15 121.322 0.100 . 1 . . . A 68 VAL N . 34126 1 885 . 1 1 75 75 GLU H H 1 8.511 0.020 . 1 . . . A 69 GLU H . 34126 1 886 . 1 1 75 75 GLU HA H 1 3.923 0.020 . 1 . . . A 69 GLU HA . 34126 1 887 . 1 1 75 75 GLU HB2 H 1 1.920 0.020 . 2 . . . A 69 GLU HB2 . 34126 1 888 . 1 1 75 75 GLU HB3 H 1 2.074 0.020 . 2 . . . A 69 GLU HB3 . 34126 1 889 . 1 1 75 75 GLU HG2 H 1 2.294 0.020 . 1 . . . A 69 GLU HG2 . 34126 1 890 . 1 1 75 75 GLU HG3 H 1 2.294 0.020 . 1 . . . A 69 GLU HG3 . 34126 1 891 . 1 1 75 75 GLU CA C 13 60.187 0.100 . 1 . . . A 69 GLU CA . 34126 1 892 . 1 1 75 75 GLU CB C 13 29.112 0.100 . 1 . . . A 69 GLU CB . 34126 1 893 . 1 1 75 75 GLU CG C 13 36.349 0.100 . 1 . . . A 69 GLU CG . 34126 1 894 . 1 1 75 75 GLU N N 15 118.390 0.100 . 1 . . . A 69 GLU N . 34126 1 895 . 1 1 76 76 LYS H H 1 7.845 0.020 . 1 . . . A 70 LYS H . 34126 1 896 . 1 1 76 76 LYS HA H 1 4.041 0.020 . 1 . . . A 70 LYS HA . 34126 1 897 . 1 1 76 76 LYS HB2 H 1 1.809 0.020 . 2 . . . A 70 LYS HB2 . 34126 1 898 . 1 1 76 76 LYS HB3 H 1 1.919 0.020 . 2 . . . A 70 LYS HB3 . 34126 1 899 . 1 1 76 76 LYS HG2 H 1 1.382 0.020 . 2 . . . A 70 LYS HG2 . 34126 1 900 . 1 1 76 76 LYS HG3 H 1 1.534 0.020 . 2 . . . A 70 LYS HG3 . 34126 1 901 . 1 1 76 76 LYS HD2 H 1 1.775 0.020 . 1 . . . A 70 LYS HD2 . 34126 1 902 . 1 1 76 76 LYS HD3 H 1 1.775 0.020 . 1 . . . A 70 LYS HD3 . 34126 1 903 . 1 1 76 76 LYS HE2 H 1 3.019 0.020 . 1 . . . A 70 LYS HE2 . 34126 1 904 . 1 1 76 76 LYS HE3 H 1 3.019 0.020 . 1 . . . A 70 LYS HE3 . 34126 1 905 . 1 1 76 76 LYS CA C 13 59.245 0.100 . 1 . . . A 70 LYS CA . 34126 1 906 . 1 1 76 76 LYS CB C 13 32.161 0.100 . 1 . . . A 70 LYS CB . 34126 1 907 . 1 1 76 76 LYS CG C 13 25.871 0.100 . 1 . . . A 70 LYS CG . 34126 1 908 . 1 1 76 76 LYS CD C 13 29.133 0.100 . 1 . . . A 70 LYS CD . 34126 1 909 . 1 1 76 76 LYS CE C 13 42.141 0.100 . 1 . . . A 70 LYS CE . 34126 1 910 . 1 1 76 76 LYS N N 15 119.392 0.100 . 1 . . . A 70 LYS N . 34126 1 911 . 1 1 77 77 ALA H H 1 8.495 0.020 . 1 . . . A 71 ALA H . 34126 1 912 . 1 1 77 77 ALA HA H 1 3.995 0.020 . 1 . . . A 71 ALA HA . 34126 1 913 . 1 1 77 77 ALA HB1 H 1 1.575 0.020 . 1 . . . A 71 ALA HB1 . 34126 1 914 . 1 1 77 77 ALA HB2 H 1 1.575 0.020 . 1 . . . A 71 ALA HB2 . 34126 1 915 . 1 1 77 77 ALA HB3 H 1 1.575 0.020 . 1 . . . A 71 ALA HB3 . 34126 1 916 . 1 1 77 77 ALA CA C 13 55.643 0.100 . 1 . . . A 71 ALA CA . 34126 1 917 . 1 1 77 77 ALA CB C 13 19.465 0.100 . 1 . . . A 71 ALA CB . 34126 1 918 . 1 1 77 77 ALA N N 15 121.683 0.100 . 1 . . . A 71 ALA N . 34126 1 919 . 1 1 78 78 LYS H H 1 8.791 0.020 . 1 . . . A 72 LYS H . 34126 1 920 . 1 1 78 78 LYS HA H 1 3.863 0.020 . 1 . . . A 72 LYS HA . 34126 1 921 . 1 1 78 78 LYS HB2 H 1 1.890 0.020 . 2 . . . A 72 LYS HB2 . 34126 1 922 . 1 1 78 78 LYS HB3 H 1 1.961 0.020 . 2 . . . A 72 LYS HB3 . 34126 1 923 . 1 1 78 78 LYS HG2 H 1 1.369 0.020 . 2 . . . A 72 LYS HG2 . 34126 1 924 . 1 1 78 78 LYS HG3 H 1 1.676 0.020 . 2 . . . A 72 LYS HG3 . 34126 1 925 . 1 1 78 78 LYS HD2 H 1 1.662 0.020 . 1 . . . A 72 LYS HD2 . 34126 1 926 . 1 1 78 78 LYS HD3 H 1 1.662 0.020 . 1 . . . A 72 LYS HD3 . 34126 1 927 . 1 1 78 78 LYS HE2 H 1 2.941 0.020 . 2 . . . A 72 LYS HE2 . 34126 1 928 . 1 1 78 78 LYS HE3 H 1 2.843 0.020 . 2 . . . A 72 LYS HE3 . 34126 1 929 . 1 1 78 78 LYS CA C 13 60.221 0.100 . 1 . . . A 72 LYS CA . 34126 1 930 . 1 1 78 78 LYS CB C 13 32.547 0.100 . 1 . . . A 72 LYS CB . 34126 1 931 . 1 1 78 78 LYS CG C 13 26.083 0.100 . 1 . . . A 72 LYS CG . 34126 1 932 . 1 1 78 78 LYS CD C 13 29.355 0.100 . 1 . . . A 72 LYS CD . 34126 1 933 . 1 1 78 78 LYS CE C 13 41.923 0.100 . 1 . . . A 72 LYS CE . 34126 1 934 . 1 1 78 78 LYS N N 15 116.751 0.100 . 1 . . . A 72 LYS N . 34126 1 935 . 1 1 79 79 ASN H H 1 7.748 0.020 . 1 . . . A 73 ASN H . 34126 1 936 . 1 1 79 79 ASN HA H 1 4.434 0.020 . 1 . . . A 73 ASN HA . 34126 1 937 . 1 1 79 79 ASN HB2 H 1 2.711 0.020 . 2 . . . A 73 ASN HB2 . 34126 1 938 . 1 1 79 79 ASN HB3 H 1 2.801 0.020 . 2 . . . A 73 ASN HB3 . 34126 1 939 . 1 1 79 79 ASN HD21 H 1 7.635 0.020 . 2 . . . A 73 ASN HD21 . 34126 1 940 . 1 1 79 79 ASN HD22 H 1 7.110 0.020 . 2 . . . A 73 ASN HD22 . 34126 1 941 . 1 1 79 79 ASN CA C 13 56.109 0.100 . 1 . . . A 73 ASN CA . 34126 1 942 . 1 1 79 79 ASN CB C 13 38.311 0.100 . 1 . . . A 73 ASN CB . 34126 1 943 . 1 1 79 79 ASN N N 15 117.402 0.100 . 1 . . . A 73 ASN N . 34126 1 944 . 1 1 79 79 ASN ND2 N 15 113.023 0.100 . 1 . . . A 73 ASN ND2 . 34126 1 945 . 1 1 80 80 TYR H H 1 8.202 0.020 . 1 . . . A 74 TYR H . 34126 1 946 . 1 1 80 80 TYR HA H 1 4.195 0.020 . 1 . . . A 74 TYR HA . 34126 1 947 . 1 1 80 80 TYR HB2 H 1 2.983 0.020 . 2 . . . A 74 TYR HB2 . 34126 1 948 . 1 1 80 80 TYR HB3 H 1 3.039 0.020 . 2 . . . A 74 TYR HB3 . 34126 1 949 . 1 1 80 80 TYR HD1 H 1 6.943 0.020 . 1 . . . A 74 TYR HD1 . 34126 1 950 . 1 1 80 80 TYR HD2 H 1 6.943 0.020 . 1 . . . A 74 TYR HD2 . 34126 1 951 . 1 1 80 80 TYR HE1 H 1 6.668 0.020 . 1 . . . A 74 TYR HE1 . 34126 1 952 . 1 1 80 80 TYR HE2 H 1 6.668 0.020 . 1 . . . A 74 TYR HE2 . 34126 1 953 . 1 1 80 80 TYR CA C 13 61.659 0.100 . 1 . . . A 74 TYR CA . 34126 1 954 . 1 1 80 80 TYR CB C 13 37.807 0.100 . 1 . . . A 74 TYR CB . 34126 1 955 . 1 1 80 80 TYR CD1 C 13 132.300 0.100 . 3 . . . A 74 TYR CD1 . 34126 1 956 . 1 1 80 80 TYR CD2 C 13 132.300 0.100 . 3 . . . A 74 TYR CD2 . 34126 1 957 . 1 1 80 80 TYR CE1 C 13 118.191 0.100 . 3 . . . A 74 TYR CE1 . 34126 1 958 . 1 1 80 80 TYR CE2 C 13 118.191 0.100 . 3 . . . A 74 TYR CE2 . 34126 1 959 . 1 1 80 80 TYR N N 15 119.785 0.100 . 1 . . . A 74 TYR N . 34126 1 960 . 1 1 81 81 ILE H H 1 8.086 0.020 . 1 . . . A 75 ILE H . 34126 1 961 . 1 1 81 81 ILE HA H 1 3.561 0.020 . 1 . . . A 75 ILE HA . 34126 1 962 . 1 1 81 81 ILE HB H 1 1.925 0.020 . 1 . . . A 75 ILE HB . 34126 1 963 . 1 1 81 81 ILE HG12 H 1 1.015 0.020 . 2 . . . A 75 ILE HG12 . 34126 1 964 . 1 1 81 81 ILE HG13 H 1 1.778 0.020 . 2 . . . A 75 ILE HG13 . 34126 1 965 . 1 1 81 81 ILE HG21 H 1 0.901 0.020 . 1 . . . A 75 ILE HG21 . 34126 1 966 . 1 1 81 81 ILE HG22 H 1 0.901 0.020 . 1 . . . A 75 ILE HG22 . 34126 1 967 . 1 1 81 81 ILE HG23 H 1 0.901 0.020 . 1 . . . A 75 ILE HG23 . 34126 1 968 . 1 1 81 81 ILE HD11 H 1 0.718 0.020 . 1 . . . A 75 ILE HD11 . 34126 1 969 . 1 1 81 81 ILE HD12 H 1 0.718 0.020 . 1 . . . A 75 ILE HD12 . 34126 1 970 . 1 1 81 81 ILE HD13 H 1 0.718 0.020 . 1 . . . A 75 ILE HD13 . 34126 1 971 . 1 1 81 81 ILE CA C 13 64.901 0.100 . 1 . . . A 75 ILE CA . 34126 1 972 . 1 1 81 81 ILE CB C 13 38.088 0.100 . 1 . . . A 75 ILE CB . 34126 1 973 . 1 1 81 81 ILE CG1 C 13 29.268 0.100 . 1 . . . A 75 ILE CG1 . 34126 1 974 . 1 1 81 81 ILE CG2 C 13 17.074 0.100 . 1 . . . A 75 ILE CG2 . 34126 1 975 . 1 1 81 81 ILE CD1 C 13 12.825 0.100 . 1 . . . A 75 ILE CD1 . 34126 1 976 . 1 1 81 81 ILE N N 15 118.989 0.100 . 1 . . . A 75 ILE N . 34126 1 977 . 1 1 82 82 LYS H H 1 8.090 0.020 . 1 . . . A 76 LYS H . 34126 1 978 . 1 1 82 82 LYS HA H 1 4.120 0.020 . 1 . . . A 76 LYS HA . 34126 1 979 . 1 1 82 82 LYS HB2 H 1 1.899 0.020 . 1 . . . A 76 LYS HB2 . 34126 1 980 . 1 1 82 82 LYS HB3 H 1 1.899 0.020 . 1 . . . A 76 LYS HB3 . 34126 1 981 . 1 1 82 82 LYS HG2 H 1 1.430 0.020 . 2 . . . A 76 LYS HG2 . 34126 1 982 . 1 1 82 82 LYS HG3 H 1 1.430 0.020 . 2 . . . A 76 LYS HG3 . 34126 1 983 . 1 1 82 82 LYS HD2 H 1 1.700 0.020 . 1 . . . A 76 LYS HD2 . 34126 1 984 . 1 1 82 82 LYS HD3 H 1 1.700 0.020 . 1 . . . A 76 LYS HD3 . 34126 1 985 . 1 1 82 82 LYS HE2 H 1 2.998 0.020 . 1 . . . A 76 LYS HE2 . 34126 1 986 . 1 1 82 82 LYS HE3 H 1 2.998 0.020 . 1 . . . A 76 LYS HE3 . 34126 1 987 . 1 1 82 82 LYS CA C 13 58.834 0.100 . 1 . . . A 76 LYS CA . 34126 1 988 . 1 1 82 82 LYS CB C 13 32.533 0.100 . 1 . . . A 76 LYS CB . 34126 1 989 . 1 1 82 82 LYS CG C 13 24.732 0.100 . 1 . . . A 76 LYS CG . 34126 1 990 . 1 1 82 82 LYS CD C 13 29.096 0.100 . 1 . . . A 76 LYS CD . 34126 1 991 . 1 1 82 82 LYS CE C 13 42.129 0.100 . 1 . . . A 76 LYS CE . 34126 1 992 . 1 1 82 82 LYS N N 15 119.891 0.100 . 1 . . . A 76 LYS N . 34126 1 993 . 1 1 83 83 ASN H H 1 7.933 0.020 . 1 . . . A 77 ASN H . 34126 1 994 . 1 1 83 83 ASN HA H 1 4.678 0.020 . 1 . . . A 77 ASN HA . 34126 1 995 . 1 1 83 83 ASN HB2 H 1 2.727 0.020 . 2 . . . A 77 ASN HB2 . 34126 1 996 . 1 1 83 83 ASN HB3 H 1 2.824 0.020 . 2 . . . A 77 ASN HB3 . 34126 1 997 . 1 1 83 83 ASN HD21 H 1 7.644 0.020 . 2 . . . A 77 ASN HD21 . 34126 1 998 . 1 1 83 83 ASN HD22 H 1 7.034 0.020 . 2 . . . A 77 ASN HD22 . 34126 1 999 . 1 1 83 83 ASN CA C 13 54.413 0.100 . 1 . . . A 77 ASN CA . 34126 1 1000 . 1 1 83 83 ASN CB C 13 39.074 0.100 . 1 . . . A 77 ASN CB . 34126 1 1001 . 1 1 83 83 ASN N N 15 115.582 0.100 . 1 . . . A 77 ASN N . 34126 1 1002 . 1 1 83 83 ASN ND2 N 15 113.392 0.100 . 1 . . . A 77 ASN ND2 . 34126 1 1003 . 1 1 84 84 SER H H 1 7.963 0.020 . 1 . . . A 78 SER H . 34126 1 1004 . 1 1 84 84 SER HA H 1 4.225 0.020 . 1 . . . A 78 SER HA . 34126 1 1005 . 1 1 84 84 SER HB2 H 1 3.805 0.020 . 1 . . . A 78 SER HB2 . 34126 1 1006 . 1 1 84 84 SER HB3 H 1 3.805 0.020 . 1 . . . A 78 SER HB3 . 34126 1 1007 . 1 1 84 84 SER CA C 13 60.349 0.100 . 1 . . . A 78 SER CA . 34126 1 1008 . 1 1 84 84 SER CB C 13 63.372 0.100 . 1 . . . A 78 SER CB . 34126 1 1009 . 1 1 84 84 SER N N 15 115.255 0.100 . 1 . . . A 78 SER N . 34126 1 1010 . 1 1 85 85 ASN H H 1 8.297 0.020 . 1 . . . A 79 ASN H . 34126 1 1011 . 1 1 85 85 ASN HA H 1 4.640 0.020 . 1 . . . A 79 ASN HA . 34126 1 1012 . 1 1 85 85 ASN HB2 H 1 2.846 0.020 . 1 . . . A 79 ASN HB2 . 34126 1 1013 . 1 1 85 85 ASN HB3 H 1 2.846 0.020 . 1 . . . A 79 ASN HB3 . 34126 1 1014 . 1 1 85 85 ASN HD21 H 1 7.590 0.020 . 2 . . . A 79 ASN HD21 . 34126 1 1015 . 1 1 85 85 ASN HD22 H 1 6.964 0.020 . 2 . . . A 79 ASN HD22 . 34126 1 1016 . 1 1 85 85 ASN CA C 13 54.283 0.100 . 1 . . . A 79 ASN CA . 34126 1 1017 . 1 1 85 85 ASN CB C 13 38.571 0.100 . 1 . . . A 79 ASN CB . 34126 1 1018 . 1 1 85 85 ASN N N 15 119.749 0.100 . 1 . . . A 79 ASN N . 34126 1 1019 . 1 1 85 85 ASN ND2 N 15 111.927 0.100 . 1 . . . A 79 ASN ND2 . 34126 1 1020 . 1 1 86 86 ARG H H 1 8.075 0.020 . 1 . . . A 80 ARG H . 34126 1 1021 . 1 1 86 86 ARG HA H 1 4.277 0.020 . 1 . . . A 80 ARG HA . 34126 1 1022 . 1 1 86 86 ARG HB2 H 1 1.823 0.020 . 2 . . . A 80 ARG HB2 . 34126 1 1023 . 1 1 86 86 ARG HB3 H 1 1.925 0.020 . 2 . . . A 80 ARG HB3 . 34126 1 1024 . 1 1 86 86 ARG HG2 H 1 1.622 0.020 . 1 . . . A 80 ARG HG2 . 34126 1 1025 . 1 1 86 86 ARG HG3 H 1 1.622 0.020 . 1 . . . A 80 ARG HG3 . 34126 1 1026 . 1 1 86 86 ARG HD2 H 1 3.207 0.020 . 1 . . . A 80 ARG HD2 . 34126 1 1027 . 1 1 86 86 ARG HD3 H 1 3.207 0.020 . 1 . . . A 80 ARG HD3 . 34126 1 1028 . 1 1 86 86 ARG CA C 13 57.038 0.100 . 1 . . . A 80 ARG CA . 34126 1 1029 . 1 1 86 86 ARG CB C 13 30.611 0.100 . 1 . . . A 80 ARG CB . 34126 1 1030 . 1 1 86 86 ARG CG C 13 27.106 0.100 . 1 . . . A 80 ARG CG . 34126 1 1031 . 1 1 86 86 ARG CD C 13 43.364 0.100 . 1 . . . A 80 ARG CD . 34126 1 1032 . 1 1 86 86 ARG N N 15 119.049 0.100 . 1 . . . A 80 ARG N . 34126 1 1033 . 1 1 87 87 LEU H H 1 8.060 0.020 . 1 . . . A 81 LEU H . 34126 1 1034 . 1 1 87 87 LEU HA H 1 4.309 0.020 . 1 . . . A 81 LEU HA . 34126 1 1035 . 1 1 87 87 LEU HB2 H 1 1.579 0.020 . 2 . . . A 81 LEU HB2 . 34126 1 1036 . 1 1 87 87 LEU HB3 H 1 1.753 0.020 . 2 . . . A 81 LEU HB3 . 34126 1 1037 . 1 1 87 87 LEU HG H 1 1.639 0.020 . 1 . . . A 81 LEU HG . 34126 1 1038 . 1 1 87 87 LEU HD11 H 1 0.948 0.020 . 2 . . . A 81 LEU HD11 . 34126 1 1039 . 1 1 87 87 LEU HD12 H 1 0.948 0.020 . 2 . . . A 81 LEU HD12 . 34126 1 1040 . 1 1 87 87 LEU HD13 H 1 0.948 0.020 . 2 . . . A 81 LEU HD13 . 34126 1 1041 . 1 1 87 87 LEU HD21 H 1 0.918 0.020 . 2 . . . A 81 LEU HD21 . 34126 1 1042 . 1 1 87 87 LEU HD22 H 1 0.918 0.020 . 2 . . . A 81 LEU HD22 . 34126 1 1043 . 1 1 87 87 LEU HD23 H 1 0.918 0.020 . 2 . . . A 81 LEU HD23 . 34126 1 1044 . 1 1 87 87 LEU CA C 13 55.548 0.100 . 1 . . . A 81 LEU CA . 34126 1 1045 . 1 1 87 87 LEU CB C 13 42.108 0.100 . 1 . . . A 81 LEU CB . 34126 1 1046 . 1 1 87 87 LEU CG C 13 26.975 0.100 . 1 . . . A 81 LEU CG . 34126 1 1047 . 1 1 87 87 LEU CD1 C 13 24.946 0.100 . 2 . . . A 81 LEU CD1 . 34126 1 1048 . 1 1 87 87 LEU CD2 C 13 25.267 0.100 . 2 . . . A 81 LEU CD2 . 34126 1 1049 . 1 1 87 87 LEU N N 15 119.801 0.100 . 1 . . . A 81 LEU N . 34126 1 1050 . 1 1 88 88 GLY H H 1 8.266 0.020 . 1 . . . A 82 GLY H . 34126 1 1051 . 1 1 88 88 GLY HA2 H 1 3.939 0.020 . 1 . . . A 82 GLY HA2 . 34126 1 1052 . 1 1 88 88 GLY HA3 H 1 3.939 0.020 . 1 . . . A 82 GLY HA3 . 34126 1 1053 . 1 1 88 88 GLY CA C 13 45.570 0.100 . 1 . . . A 82 GLY CA . 34126 1 1054 . 1 1 88 88 GLY N N 15 107.684 0.100 . 1 . . . A 82 GLY N . 34126 1 1055 . 1 1 89 89 ARG H H 1 8.129 0.020 . 1 . . . A 83 ARG H . 34126 1 1056 . 1 1 89 89 ARG HA H 1 4.420 0.020 . 1 . . . A 83 ARG HA . 34126 1 1057 . 1 1 89 89 ARG HB2 H 1 1.805 0.020 . 2 . . . A 83 ARG HB2 . 34126 1 1058 . 1 1 89 89 ARG HB3 H 1 1.918 0.020 . 2 . . . A 83 ARG HB3 . 34126 1 1059 . 1 1 89 89 ARG HG2 H 1 1.642 0.020 . 1 . . . A 83 ARG HG2 . 34126 1 1060 . 1 1 89 89 ARG HG3 H 1 1.642 0.020 . 1 . . . A 83 ARG HG3 . 34126 1 1061 . 1 1 89 89 ARG HD2 H 1 3.200 0.020 . 1 . . . A 83 ARG HD2 . 34126 1 1062 . 1 1 89 89 ARG HD3 H 1 3.200 0.020 . 1 . . . A 83 ARG HD3 . 34126 1 1063 . 1 1 89 89 ARG CA C 13 56.277 0.100 . 1 . . . A 83 ARG CA . 34126 1 1064 . 1 1 89 89 ARG CB C 13 30.785 0.100 . 1 . . . A 83 ARG CB . 34126 1 1065 . 1 1 89 89 ARG CG C 13 27.145 0.100 . 1 . . . A 83 ARG CG . 34126 1 1066 . 1 1 89 89 ARG CD C 13 43.363 0.100 . 1 . . . A 83 ARG CD . 34126 1 1067 . 1 1 89 89 ARG N N 15 119.504 0.100 . 1 . . . A 83 ARG N . 34126 1 1068 . 1 1 90 90 THR H H 1 8.266 0.020 . 1 . . . A 84 THR H . 34126 1 1069 . 1 1 90 90 THR HA H 1 4.337 0.020 . 1 . . . A 84 THR HA . 34126 1 1070 . 1 1 90 90 THR HB H 1 4.256 0.020 . 1 . . . A 84 THR HB . 34126 1 1071 . 1 1 90 90 THR HG21 H 1 1.206 0.020 . 1 . . . A 84 THR HG21 . 34126 1 1072 . 1 1 90 90 THR HG22 H 1 1.206 0.020 . 1 . . . A 84 THR HG22 . 34126 1 1073 . 1 1 90 90 THR HG23 H 1 1.206 0.020 . 1 . . . A 84 THR HG23 . 34126 1 1074 . 1 1 90 90 THR CA C 13 62.060 0.100 . 1 . . . A 84 THR CA . 34126 1 1075 . 1 1 90 90 THR CB C 13 69.678 0.100 . 1 . . . A 84 THR CB . 34126 1 1076 . 1 1 90 90 THR CG2 C 13 21.605 0.100 . 1 . . . A 84 THR CG2 . 34126 1 1077 . 1 1 90 90 THR N N 15 113.922 0.100 . 1 . . . A 84 THR N . 34126 1 1078 . 1 1 91 91 ASN H H 1 8.488 0.020 . 1 . . . A 85 ASN H . 34126 1 1079 . 1 1 91 91 ASN HA H 1 4.719 0.020 . 1 . . . A 85 ASN HA . 34126 1 1080 . 1 1 91 91 ASN HB2 H 1 2.850 0.020 . 2 . . . A 85 ASN HB2 . 34126 1 1081 . 1 1 91 91 ASN HB3 H 1 2.762 0.020 . 2 . . . A 85 ASN HB3 . 34126 1 1082 . 1 1 91 91 ASN HD21 H 1 7.675 0.020 . 2 . . . A 85 ASN HD21 . 34126 1 1083 . 1 1 91 91 ASN HD22 H 1 6.960 0.020 . 2 . . . A 85 ASN HD22 . 34126 1 1084 . 1 1 91 91 ASN CA C 13 53.324 0.100 . 1 . . . A 85 ASN CA . 34126 1 1085 . 1 1 91 91 ASN CB C 13 38.834 0.100 . 1 . . . A 85 ASN CB . 34126 1 1086 . 1 1 91 91 ASN N N 15 120.111 0.100 . 1 . . . A 85 ASN N . 34126 1 1087 . 1 1 91 91 ASN ND2 N 15 112.440 0.100 . 1 . . . A 85 ASN ND2 . 34126 1 1088 . 1 1 92 92 ASN H H 1 8.465 0.020 . 1 . . . A 86 ASN H . 34126 1 1089 . 1 1 92 92 ASN HA H 1 4.697 0.020 . 1 . . . A 86 ASN HA . 34126 1 1090 . 1 1 92 92 ASN HB2 H 1 2.856 0.020 . 2 . . . A 86 ASN HB2 . 34126 1 1091 . 1 1 92 92 ASN HB3 H 1 2.756 0.020 . 2 . . . A 86 ASN HB3 . 34126 1 1092 . 1 1 92 92 ASN HD21 H 1 6.960 0.020 . 2 . . . A 86 ASN HD21 . 34126 1 1093 . 1 1 92 92 ASN HD22 H 1 7.650 0.020 . 2 . . . A 86 ASN HD22 . 34126 1 1094 . 1 1 92 92 ASN CA C 13 53.403 0.100 . 1 . . . A 86 ASN CA . 34126 1 1095 . 1 1 92 92 ASN CB C 13 38.719 0.100 . 1 . . . A 86 ASN CB . 34126 1 1096 . 1 1 92 92 ASN N N 15 118.593 0.100 . 1 . . . A 86 ASN N . 34126 1 1097 . 1 1 92 92 ASN ND2 N 15 112.272 0.100 . 1 . . . A 86 ASN ND2 . 34126 1 1098 . 1 1 93 93 LEU H H 1 8.247 0.020 . 1 . . . A 87 LEU H . 34126 1 1099 . 1 1 93 93 LEU HA H 1 4.315 0.020 . 1 . . . A 87 LEU HA . 34126 1 1100 . 1 1 93 93 LEU HB2 H 1 1.581 0.020 . 2 . . . A 87 LEU HB2 . 34126 1 1101 . 1 1 93 93 LEU HB3 H 1 1.693 0.020 . 2 . . . A 87 LEU HB3 . 34126 1 1102 . 1 1 93 93 LEU HG H 1 1.648 0.020 . 1 . . . A 87 LEU HG . 34126 1 1103 . 1 1 93 93 LEU HD11 H 1 0.867 0.020 . 2 . . . A 87 LEU HD11 . 34126 1 1104 . 1 1 93 93 LEU HD12 H 1 0.867 0.020 . 2 . . . A 87 LEU HD12 . 34126 1 1105 . 1 1 93 93 LEU HD13 H 1 0.867 0.020 . 2 . . . A 87 LEU HD13 . 34126 1 1106 . 1 1 93 93 LEU HD21 H 1 0.941 0.020 . 2 . . . A 87 LEU HD21 . 34126 1 1107 . 1 1 93 93 LEU HD22 H 1 0.941 0.020 . 2 . . . A 87 LEU HD22 . 34126 1 1108 . 1 1 93 93 LEU HD23 H 1 0.941 0.020 . 2 . . . A 87 LEU HD23 . 34126 1 1109 . 1 1 93 93 LEU CA C 13 55.555 0.100 . 1 . . . A 87 LEU CA . 34126 1 1110 . 1 1 93 93 LEU CB C 13 42.158 0.100 . 1 . . . A 87 LEU CB . 34126 1 1111 . 1 1 93 93 LEU CG C 13 26.972 0.100 . 1 . . . A 87 LEU CG . 34126 1 1112 . 1 1 93 93 LEU CD1 C 13 23.451 0.100 . 2 . . . A 87 LEU CD1 . 34126 1 1113 . 1 1 93 93 LEU CD2 C 13 24.946 0.100 . 2 . . . A 87 LEU CD2 . 34126 1 1114 . 1 1 93 93 LEU N N 15 121.275 0.100 . 1 . . . A 87 LEU N . 34126 1 1115 . 1 1 94 94 LYS H H 1 8.335 0.020 . 1 . . . A 88 LYS H . 34126 1 1116 . 1 1 94 94 LYS HA H 1 4.355 0.020 . 1 . . . A 88 LYS HA . 34126 1 1117 . 1 1 94 94 LYS HB2 H 1 1.800 0.020 . 2 . . . A 88 LYS HB2 . 34126 1 1118 . 1 1 94 94 LYS HB3 H 1 1.862 0.020 . 2 . . . A 88 LYS HB3 . 34126 1 1119 . 1 1 94 94 LYS HG2 H 1 1.416 0.020 . 2 . . . A 88 LYS HG2 . 34126 1 1120 . 1 1 94 94 LYS HG3 H 1 1.479 0.020 . 2 . . . A 88 LYS HG3 . 34126 1 1121 . 1 1 94 94 LYS HD2 H 1 1.690 0.020 . 1 . . . A 88 LYS HD2 . 34126 1 1122 . 1 1 94 94 LYS HD3 H 1 1.690 0.020 . 1 . . . A 88 LYS HD3 . 34126 1 1123 . 1 1 94 94 LYS HE2 H 1 3.008 0.020 . 1 . . . A 88 LYS HE2 . 34126 1 1124 . 1 1 94 94 LYS HE3 H 1 3.008 0.020 . 1 . . . A 88 LYS HE3 . 34126 1 1125 . 1 1 94 94 LYS CA C 13 56.500 0.100 . 1 . . . A 88 LYS CA . 34126 1 1126 . 1 1 94 94 LYS CB C 13 32.895 0.100 . 1 . . . A 88 LYS CB . 34126 1 1127 . 1 1 94 94 LYS CG C 13 24.756 0.100 . 1 . . . A 88 LYS CG . 34126 1 1128 . 1 1 94 94 LYS CD C 13 29.050 0.100 . 1 . . . A 88 LYS CD . 34126 1 1129 . 1 1 94 94 LYS CE C 13 42.128 0.100 . 1 . . . A 88 LYS CE . 34126 1 1130 . 1 1 94 94 LYS N N 15 120.809 0.100 . 1 . . . A 88 LYS N . 34126 1 1131 . 1 1 95 95 THR H H 1 8.124 0.020 . 1 . . . A 89 THR H . 34126 1 1132 . 1 1 95 95 THR HA H 1 4.341 0.020 . 1 . . . A 89 THR HA . 34126 1 1133 . 1 1 95 95 THR HB H 1 4.207 0.020 . 1 . . . A 89 THR HB . 34126 1 1134 . 1 1 95 95 THR HG21 H 1 1.191 0.020 . 1 . . . A 89 THR HG21 . 34126 1 1135 . 1 1 95 95 THR HG22 H 1 1.191 0.020 . 1 . . . A 89 THR HG22 . 34126 1 1136 . 1 1 95 95 THR HG23 H 1 1.191 0.020 . 1 . . . A 89 THR HG23 . 34126 1 1137 . 1 1 95 95 THR CA C 13 61.922 0.100 . 1 . . . A 89 THR CA . 34126 1 1138 . 1 1 95 95 THR CB C 13 69.713 0.100 . 1 . . . A 89 THR CB . 34126 1 1139 . 1 1 95 95 THR CG2 C 13 21.655 0.100 . 1 . . . A 89 THR CG2 . 34126 1 1140 . 1 1 95 95 THR N N 15 114.671 0.100 . 1 . . . A 89 THR N . 34126 1 1141 . 1 1 96 96 ILE H H 1 8.196 0.020 . 1 . . . A 90 ILE H . 34126 1 1142 . 1 1 96 96 ILE HA H 1 4.194 0.020 . 1 . . . A 90 ILE HA . 34126 1 1143 . 1 1 96 96 ILE HB H 1 1.888 0.020 . 1 . . . A 90 ILE HB . 34126 1 1144 . 1 1 96 96 ILE HG12 H 1 1.441 0.020 . 2 . . . A 90 ILE HG12 . 34126 1 1145 . 1 1 96 96 ILE HG13 H 1 1.162 0.020 . 2 . . . A 90 ILE HG13 . 34126 1 1146 . 1 1 96 96 ILE HG21 H 1 0.911 0.020 . 1 . . . A 90 ILE HG21 . 34126 1 1147 . 1 1 96 96 ILE HG22 H 1 0.911 0.020 . 1 . . . A 90 ILE HG22 . 34126 1 1148 . 1 1 96 96 ILE HG23 H 1 0.911 0.020 . 1 . . . A 90 ILE HG23 . 34126 1 1149 . 1 1 96 96 ILE HD11 H 1 0.869 0.020 . 1 . . . A 90 ILE HD11 . 34126 1 1150 . 1 1 96 96 ILE HD12 H 1 0.869 0.020 . 1 . . . A 90 ILE HD12 . 34126 1 1151 . 1 1 96 96 ILE HD13 H 1 0.869 0.020 . 1 . . . A 90 ILE HD13 . 34126 1 1152 . 1 1 96 96 ILE CA C 13 61.416 0.100 . 1 . . . A 90 ILE CA . 34126 1 1153 . 1 1 96 96 ILE CB C 13 38.707 0.100 . 1 . . . A 90 ILE CB . 34126 1 1154 . 1 1 96 96 ILE CG1 C 13 27.257 0.100 . 1 . . . A 90 ILE CG1 . 34126 1 1155 . 1 1 96 96 ILE CG2 C 13 17.480 0.100 . 1 . . . A 90 ILE CG2 . 34126 1 1156 . 1 1 96 96 ILE CD1 C 13 13.073 0.100 . 1 . . . A 90 ILE CD1 . 34126 1 1157 . 1 1 96 96 ILE N N 15 122.357 0.100 . 1 . . . A 90 ILE N . 34126 1 1158 . 1 1 97 97 GLY H H 1 8.488 0.020 . 1 . . . A 91 GLY H . 34126 1 1159 . 1 1 97 97 GLY HA2 H 1 3.953 0.020 . 1 . . . A 91 GLY HA2 . 34126 1 1160 . 1 1 97 97 GLY HA3 H 1 3.956 0.020 . 2 . . . A 91 GLY HA3 . 34126 1 1161 . 1 1 97 97 GLY CA C 13 45.251 0.100 . 1 . . . A 91 GLY CA . 34126 1 1162 . 1 1 97 97 GLY N N 15 112.081 0.100 . 1 . . . A 91 GLY N . 34126 1 1163 . 1 1 98 98 ILE H H 1 7.998 0.020 . 1 . . . A 92 ILE H . 34126 1 1164 . 1 1 98 98 ILE HA H 1 4.172 0.020 . 1 . . . A 92 ILE HA . 34126 1 1165 . 1 1 98 98 ILE HB H 1 1.865 0.020 . 1 . . . A 92 ILE HB . 34126 1 1166 . 1 1 98 98 ILE HG12 H 1 1.205 0.020 . 2 . . . A 92 ILE HG12 . 34126 1 1167 . 1 1 98 98 ILE HG13 H 1 1.504 0.020 . 2 . . . A 92 ILE HG13 . 34126 1 1168 . 1 1 98 98 ILE HG21 H 1 0.903 0.020 . 1 . . . A 92 ILE HG21 . 34126 1 1169 . 1 1 98 98 ILE HG22 H 1 0.903 0.020 . 1 . . . A 92 ILE HG22 . 34126 1 1170 . 1 1 98 98 ILE HG23 H 1 0.903 0.020 . 1 . . . A 92 ILE HG23 . 34126 1 1171 . 1 1 98 98 ILE HD11 H 1 0.852 0.020 . 1 . . . A 92 ILE HD11 . 34126 1 1172 . 1 1 98 98 ILE HD12 H 1 0.852 0.020 . 1 . . . A 92 ILE HD12 . 34126 1 1173 . 1 1 98 98 ILE HD13 H 1 0.852 0.020 . 1 . . . A 92 ILE HD13 . 34126 1 1174 . 1 1 98 98 ILE CA C 13 61.189 0.100 . 1 . . . A 92 ILE CA . 34126 1 1175 . 1 1 98 98 ILE CB C 13 38.745 0.100 . 1 . . . A 92 ILE CB . 34126 1 1176 . 1 1 98 98 ILE CG1 C 13 27.415 0.100 . 1 . . . A 92 ILE CG1 . 34126 1 1177 . 1 1 98 98 ILE CG2 C 13 17.479 0.100 . 1 . . . A 92 ILE CG2 . 34126 1 1178 . 1 1 98 98 ILE CD1 C 13 13.033 0.100 . 1 . . . A 92 ILE CD1 . 34126 1 1179 . 1 1 98 98 ILE N N 15 119.401 0.100 . 1 . . . A 92 ILE N . 34126 1 1180 . 1 1 99 99 LEU H H 1 8.421 0.020 . 1 . . . A 93 LEU H . 34126 1 1181 . 1 1 99 99 LEU HA H 1 4.367 0.020 . 1 . . . A 93 LEU HA . 34126 1 1182 . 1 1 99 99 LEU HB2 H 1 1.655 0.020 . 2 . . . A 93 LEU HB2 . 34126 1 1183 . 1 1 99 99 LEU HB3 H 1 1.590 0.020 . 2 . . . A 93 LEU HB3 . 34126 1 1184 . 1 1 99 99 LEU HG H 1 1.654 0.020 . 1 . . . A 93 LEU HG . 34126 1 1185 . 1 1 99 99 LEU HD11 H 1 0.881 0.020 . 2 . . . A 93 LEU HD11 . 34126 1 1186 . 1 1 99 99 LEU HD12 H 1 0.881 0.020 . 2 . . . A 93 LEU HD12 . 34126 1 1187 . 1 1 99 99 LEU HD13 H 1 0.881 0.020 . 2 . . . A 93 LEU HD13 . 34126 1 1188 . 1 1 99 99 LEU HD21 H 1 0.937 0.020 . 2 . . . A 93 LEU HD21 . 34126 1 1189 . 1 1 99 99 LEU HD22 H 1 0.937 0.020 . 2 . . . A 93 LEU HD22 . 34126 1 1190 . 1 1 99 99 LEU HD23 H 1 0.937 0.020 . 2 . . . A 93 LEU HD23 . 34126 1 1191 . 1 1 99 99 LEU CA C 13 55.163 0.100 . 1 . . . A 93 LEU CA . 34126 1 1192 . 1 1 99 99 LEU CB C 13 42.133 0.100 . 1 . . . A 93 LEU CB . 34126 1 1193 . 1 1 99 99 LEU CG C 13 26.981 0.100 . 1 . . . A 93 LEU CG . 34126 1 1194 . 1 1 99 99 LEU CD1 C 13 23.174 0.100 . 2 . . . A 93 LEU CD1 . 34126 1 1195 . 1 1 99 99 LEU CD2 C 13 24.931 0.100 . 2 . . . A 93 LEU CD2 . 34126 1 1196 . 1 1 99 99 LEU N N 15 125.429 0.100 . 1 . . . A 93 LEU N . 34126 1 1197 . 1 1 100 100 GLN H H 1 8.456 0.020 . 1 . . . A 94 GLN H . 34126 1 1198 . 1 1 100 100 GLN HA H 1 4.297 0.020 . 1 . . . A 94 GLN HA . 34126 1 1199 . 1 1 100 100 GLN HB2 H 1 2.006 0.020 . 2 . . . A 94 GLN HB2 . 34126 1 1200 . 1 1 100 100 GLN HB3 H 1 2.099 0.020 . 2 . . . A 94 GLN HB3 . 34126 1 1201 . 1 1 100 100 GLN HG2 H 1 2.363 0.020 . 1 . . . A 94 GLN HG2 . 34126 1 1202 . 1 1 100 100 GLN HG3 H 1 2.363 0.020 . 1 . . . A 94 GLN HG3 . 34126 1 1203 . 1 1 100 100 GLN HE21 H 1 7.624 0.020 . 2 . . . A 94 GLN HE21 . 34126 1 1204 . 1 1 100 100 GLN HE22 H 1 6.917 0.020 . 2 . . . A 94 GLN HE22 . 34126 1 1205 . 1 1 100 100 GLN CA C 13 55.958 0.100 . 1 . . . A 94 GLN CA . 34126 1 1206 . 1 1 100 100 GLN CB C 13 29.435 0.100 . 1 . . . A 94 GLN CB . 34126 1 1207 . 1 1 100 100 GLN CG C 13 33.805 0.100 . 1 . . . A 94 GLN CG . 34126 1 1208 . 1 1 100 100 GLN N N 15 121.149 0.100 . 1 . . . A 94 GLN N . 34126 1 1209 . 1 1 100 100 GLN NE2 N 15 112.188 0.100 . 1 . . . A 94 GLN NE2 . 34126 1 1210 . 1 1 101 101 GLU H H 1 8.529 0.020 . 1 . . . A 95 GLU H . 34126 1 1211 . 1 1 101 101 GLU HA H 1 4.277 0.020 . 1 . . . A 95 GLU HA . 34126 1 1212 . 1 1 101 101 GLU HB2 H 1 1.958 0.020 . 2 . . . A 95 GLU HB2 . 34126 1 1213 . 1 1 101 101 GLU HB3 H 1 2.054 0.020 . 2 . . . A 95 GLU HB3 . 34126 1 1214 . 1 1 101 101 GLU HG2 H 1 2.295 0.020 . 1 . . . A 95 GLU HG2 . 34126 1 1215 . 1 1 101 101 GLU HG3 H 1 2.295 0.020 . 1 . . . A 95 GLU HG3 . 34126 1 1216 . 1 1 101 101 GLU CA C 13 56.747 0.100 . 1 . . . A 95 GLU CA . 34126 1 1217 . 1 1 101 101 GLU CB C 13 30.473 0.100 . 1 . . . A 95 GLU CB . 34126 1 1218 . 1 1 101 101 GLU CG C 13 36.266 0.100 . 1 . . . A 95 GLU CG . 34126 1 1219 . 1 1 101 101 GLU N N 15 121.670 0.100 . 1 . . . A 95 GLU N . 34126 1 1220 . 1 1 102 102 GLU H H 1 8.512 0.020 . 1 . . . A 96 GLU H . 34126 1 1221 . 1 1 102 102 GLU HA H 1 4.315 0.020 . 1 . . . A 96 GLU HA . 34126 1 1222 . 1 1 102 102 GLU HB2 H 1 1.979 0.020 . 2 . . . A 96 GLU HB2 . 34126 1 1223 . 1 1 102 102 GLU HB3 H 1 2.050 0.020 . 2 . . . A 96 GLU HB3 . 34126 1 1224 . 1 1 102 102 GLU HG2 H 1 2.302 0.020 . 2 . . . A 96 GLU HG2 . 34126 1 1225 . 1 1 102 102 GLU HG3 H 1 2.259 0.020 . 2 . . . A 96 GLU HG3 . 34126 1 1226 . 1 1 102 102 GLU CA C 13 56.636 0.100 . 1 . . . A 96 GLU CA . 34126 1 1227 . 1 1 102 102 GLU CB C 13 30.238 0.100 . 1 . . . A 96 GLU CB . 34126 1 1228 . 1 1 102 102 GLU CG C 13 36.315 0.100 . 1 . . . A 96 GLU CG . 34126 1 1229 . 1 1 102 102 GLU N N 15 121.644 0.100 . 1 . . . A 96 GLU N . 34126 1 1230 . 1 1 103 103 VAL H H 1 8.301 0.020 . 1 . . . A 97 VAL H . 34126 1 1231 . 1 1 103 103 VAL HA H 1 4.120 0.020 . 1 . . . A 97 VAL HA . 34126 1 1232 . 1 1 103 103 VAL HB H 1 2.107 0.020 . 1 . . . A 97 VAL HB . 34126 1 1233 . 1 1 103 103 VAL HG11 H 1 0.963 0.020 . 2 . . . A 97 VAL HG11 . 34126 1 1234 . 1 1 103 103 VAL HG12 H 1 0.963 0.020 . 2 . . . A 97 VAL HG12 . 34126 1 1235 . 1 1 103 103 VAL HG13 H 1 0.963 0.020 . 2 . . . A 97 VAL HG13 . 34126 1 1236 . 1 1 103 103 VAL HG21 H 1 0.952 0.020 . 2 . . . A 97 VAL HG21 . 34126 1 1237 . 1 1 103 103 VAL HG22 H 1 0.952 0.020 . 2 . . . A 97 VAL HG22 . 34126 1 1238 . 1 1 103 103 VAL HG23 H 1 0.952 0.020 . 2 . . . A 97 VAL HG23 . 34126 1 1239 . 1 1 103 103 VAL CA C 13 62.660 0.100 . 1 . . . A 97 VAL CA . 34126 1 1240 . 1 1 103 103 VAL CB C 13 32.725 0.100 . 1 . . . A 97 VAL CB . 34126 1 1241 . 1 1 103 103 VAL CG1 C 13 20.662 0.100 . 2 . . . A 97 VAL CG1 . 34126 1 1242 . 1 1 103 103 VAL CG2 C 13 21.171 0.100 . 2 . . . A 97 VAL CG2 . 34126 1 1243 . 1 1 103 103 VAL N N 15 121.055 0.100 . 1 . . . A 97 VAL N . 34126 1 1244 . 1 1 104 104 SER H H 1 8.541 0.020 . 1 . . . A 98 SER H . 34126 1 1245 . 1 1 104 104 SER HA H 1 4.479 0.020 . 1 . . . A 98 SER HA . 34126 1 1246 . 1 1 104 104 SER HB2 H 1 3.893 0.020 . 2 . . . A 98 SER HB2 . 34126 1 1247 . 1 1 104 104 SER HB3 H 1 3.934 0.020 . 2 . . . A 98 SER HB3 . 34126 1 1248 . 1 1 104 104 SER CA C 13 58.596 0.100 . 1 . . . A 98 SER CA . 34126 1 1249 . 1 1 104 104 SER CB C 13 63.747 0.100 . 1 . . . A 98 SER CB . 34126 1 1250 . 1 1 104 104 SER N N 15 118.798 0.100 . 1 . . . A 98 SER N . 34126 1 1251 . 1 1 105 105 SER H H 1 8.439 0.020 . 1 . . . A 99 SER H . 34126 1 1252 . 1 1 105 105 SER HA H 1 4.464 0.020 . 1 . . . A 99 SER HA . 34126 1 1253 . 1 1 105 105 SER HB2 H 1 3.898 0.020 . 2 . . . A 99 SER HB2 . 34126 1 1254 . 1 1 105 105 SER HB3 H 1 3.965 0.020 . 2 . . . A 99 SER HB3 . 34126 1 1255 . 1 1 105 105 SER CA C 13 58.685 0.100 . 1 . . . A 99 SER CA . 34126 1 1256 . 1 1 105 105 SER CB C 13 63.678 0.100 . 1 . . . A 99 SER CB . 34126 1 1257 . 1 1 105 105 SER N N 15 117.501 0.100 . 1 . . . A 99 SER N . 34126 1 1258 . 1 1 106 106 MET H H 1 8.406 0.020 . 1 . . . A 100 MET H . 34126 1 1259 . 1 1 106 106 MET HA H 1 4.457 0.020 . 1 . . . A 100 MET HA . 34126 1 1260 . 1 1 106 106 MET HB2 H 1 2.035 0.020 . 2 . . . A 100 MET HB2 . 34126 1 1261 . 1 1 106 106 MET HB3 H 1 2.121 0.020 . 2 . . . A 100 MET HB3 . 34126 1 1262 . 1 1 106 106 MET HG2 H 1 2.632 0.020 . 2 . . . A 100 MET HG2 . 34126 1 1263 . 1 1 106 106 MET HG3 H 1 2.557 0.020 . 2 . . . A 100 MET HG3 . 34126 1 1264 . 1 1 106 106 MET CA C 13 56.048 0.100 . 1 . . . A 100 MET CA . 34126 1 1265 . 1 1 106 106 MET CB C 13 32.660 0.100 . 1 . . . A 100 MET CB . 34126 1 1266 . 1 1 106 106 MET CG C 13 31.999 0.100 . 1 . . . A 100 MET CG . 34126 1 1267 . 1 1 106 106 MET N N 15 121.351 0.100 . 1 . . . A 100 MET N . 34126 1 1268 . 1 1 107 107 GLU H H 1 8.360 0.020 . 1 . . . A 101 GLU H . 34126 1 1269 . 1 1 107 107 GLU HA H 1 4.218 0.020 . 1 . . . A 101 GLU HA . 34126 1 1270 . 1 1 107 107 GLU HB2 H 1 1.958 0.020 . 2 . . . A 101 GLU HB2 . 34126 1 1271 . 1 1 107 107 GLU HB3 H 1 2.044 0.020 . 2 . . . A 101 GLU HB3 . 34126 1 1272 . 1 1 107 107 GLU HG2 H 1 2.279 0.020 . 1 . . . A 101 GLU HG2 . 34126 1 1273 . 1 1 107 107 GLU HG3 H 1 2.279 0.020 . 1 . . . A 101 GLU HG3 . 34126 1 1274 . 1 1 107 107 GLU CA C 13 56.952 0.100 . 1 . . . A 101 GLU CA . 34126 1 1275 . 1 1 107 107 GLU CB C 13 30.174 0.100 . 1 . . . A 101 GLU CB . 34126 1 1276 . 1 1 107 107 GLU CG C 13 36.287 0.100 . 1 . . . A 101 GLU CG . 34126 1 1277 . 1 1 107 107 GLU N N 15 121.039 0.100 . 1 . . . A 101 GLU N . 34126 1 1278 . 1 1 108 108 ALA H H 1 8.332 0.020 . 1 . . . A 102 ALA H . 34126 1 1279 . 1 1 108 108 ALA HA H 1 4.277 0.020 . 1 . . . A 102 ALA HA . 34126 1 1280 . 1 1 108 108 ALA HB1 H 1 1.411 0.020 . 1 . . . A 102 ALA HB1 . 34126 1 1281 . 1 1 108 108 ALA HB2 H 1 1.411 0.020 . 1 . . . A 102 ALA HB2 . 34126 1 1282 . 1 1 108 108 ALA HB3 H 1 1.411 0.020 . 1 . . . A 102 ALA HB3 . 34126 1 1283 . 1 1 108 108 ALA CA C 13 52.867 0.100 . 1 . . . A 102 ALA CA . 34126 1 1284 . 1 1 108 108 ALA CB C 13 18.983 0.100 . 1 . . . A 102 ALA CB . 34126 1 1285 . 1 1 108 108 ALA N N 15 124.411 0.100 . 1 . . . A 102 ALA N . 34126 1 1286 . 1 1 109 109 LYS H H 1 8.276 0.020 . 1 . . . A 103 LYS H . 34126 1 1287 . 1 1 109 109 LYS HA H 1 4.310 0.020 . 1 . . . A 103 LYS HA . 34126 1 1288 . 1 1 109 109 LYS HB2 H 1 1.868 0.020 . 2 . . . A 103 LYS HB2 . 34126 1 1289 . 1 1 109 109 LYS HB3 H 1 1.792 0.020 . 2 . . . A 103 LYS HB3 . 34126 1 1290 . 1 1 109 109 LYS HG2 H 1 1.440 0.020 . 1 . . . A 103 LYS HG2 . 34126 1 1291 . 1 1 109 109 LYS HG3 H 1 1.440 0.020 . 1 . . . A 103 LYS HG3 . 34126 1 1292 . 1 1 109 109 LYS HD2 H 1 1.691 0.020 . 1 . . . A 103 LYS HD2 . 34126 1 1293 . 1 1 109 109 LYS HD3 H 1 1.691 0.020 . 1 . . . A 103 LYS HD3 . 34126 1 1294 . 1 1 109 109 LYS HE2 H 1 3.004 0.020 . 1 . . . A 103 LYS HE2 . 34126 1 1295 . 1 1 109 109 LYS HE3 H 1 3.004 0.020 . 1 . . . A 103 LYS HE3 . 34126 1 1296 . 1 1 109 109 LYS CA C 13 56.459 0.100 . 1 . . . A 103 LYS CA . 34126 1 1297 . 1 1 109 109 LYS CB C 13 32.963 0.100 . 1 . . . A 103 LYS CB . 34126 1 1298 . 1 1 109 109 LYS CG C 13 24.753 0.100 . 1 . . . A 103 LYS CG . 34126 1 1299 . 1 1 109 109 LYS CD C 13 29.108 0.100 . 1 . . . A 103 LYS CD . 34126 1 1300 . 1 1 109 109 LYS CE C 13 42.128 0.100 . 1 . . . A 103 LYS CE . 34126 1 1301 . 1 1 109 109 LYS N N 15 119.547 0.100 . 1 . . . A 103 LYS N . 34126 1 1302 . 1 1 110 110 SER H H 1 8.255 0.020 . 1 . . . A 104 SER H . 34126 1 1303 . 1 1 110 110 SER HA H 1 4.378 0.020 . 1 . . . A 104 SER HA . 34126 1 1304 . 1 1 110 110 SER HB2 H 1 3.845 0.020 . 1 . . . A 104 SER HB2 . 34126 1 1305 . 1 1 110 110 SER HB3 H 1 3.845 0.020 . 1 . . . A 104 SER HB3 . 34126 1 1306 . 1 1 110 110 SER CA C 13 58.403 0.100 . 1 . . . A 104 SER CA . 34126 1 1307 . 1 1 110 110 SER CB C 13 63.668 0.100 . 1 . . . A 104 SER CB . 34126 1 1308 . 1 1 110 110 SER N N 15 115.850 0.100 . 1 . . . A 104 SER N . 34126 1 1309 . 1 1 111 111 MET H H 1 8.330 0.020 . 1 . . . A 105 MET H . 34126 1 1310 . 1 1 111 111 MET HA H 1 4.455 0.020 . 1 . . . A 105 MET HA . 34126 1 1311 . 1 1 111 111 MET HB2 H 1 1.927 0.020 . 1 . . . A 105 MET HB2 . 34126 1 1312 . 1 1 111 111 MET HB3 H 1 1.927 0.020 . 1 . . . A 105 MET HB3 . 34126 1 1313 . 1 1 111 111 MET HG2 H 1 2.451 0.020 . 2 . . . A 105 MET HG2 . 34126 1 1314 . 1 1 111 111 MET HG3 H 1 2.523 0.020 . 2 . . . A 105 MET HG3 . 34126 1 1315 . 1 1 111 111 MET CA C 13 55.424 0.100 . 1 . . . A 105 MET CA . 34126 1 1316 . 1 1 111 111 MET CB C 13 32.784 0.100 . 1 . . . A 105 MET CB . 34126 1 1317 . 1 1 111 111 MET CG C 13 31.776 0.100 . 1 . . . A 105 MET CG . 34126 1 1318 . 1 1 111 111 MET N N 15 121.651 0.100 . 1 . . . A 105 MET N . 34126 1 1319 . 1 1 112 112 THR H H 1 7.944 0.020 . 1 . . . A 106 THR H . 34126 1 1320 . 1 1 112 112 THR HA H 1 4.304 0.020 . 1 . . . A 106 THR HA . 34126 1 1321 . 1 1 112 112 THR HB H 1 4.170 0.020 . 1 . . . A 106 THR HB . 34126 1 1322 . 1 1 112 112 THR HG21 H 1 1.113 0.020 . 1 . . . A 106 THR HG21 . 34126 1 1323 . 1 1 112 112 THR HG22 H 1 1.113 0.020 . 1 . . . A 106 THR HG22 . 34126 1 1324 . 1 1 112 112 THR HG23 H 1 1.113 0.020 . 1 . . . A 106 THR HG23 . 34126 1 1325 . 1 1 112 112 THR CA C 13 61.354 0.100 . 1 . . . A 106 THR CA . 34126 1 1326 . 1 1 112 112 THR CB C 13 69.981 0.100 . 1 . . . A 106 THR CB . 34126 1 1327 . 1 1 112 112 THR CG2 C 13 21.366 0.100 . 1 . . . A 106 THR CG2 . 34126 1 1328 . 1 1 112 112 THR N N 15 114.050 0.100 . 1 . . . A 106 THR N . 34126 1 1329 . 1 1 113 113 TRP H H 1 7.771 0.020 . 1 . . . A 107 TRP H . 34126 1 1330 . 1 1 113 113 TRP HA H 1 4.536 0.020 . 1 . . . A 107 TRP HA . 34126 1 1331 . 1 1 113 113 TRP HB2 H 1 3.171 0.020 . 2 . . . A 107 TRP HB2 . 34126 1 1332 . 1 1 113 113 TRP HB3 H 1 3.342 0.020 . 2 . . . A 107 TRP HB3 . 34126 1 1333 . 1 1 113 113 TRP HD1 H 1 7.213 0.020 . 1 . . . A 107 TRP HD1 . 34126 1 1334 . 1 1 113 113 TRP HE1 H 1 10.080 0.020 . 1 . . . A 107 TRP HE1 . 34126 1 1335 . 1 1 113 113 TRP HE3 H 1 7.653 0.020 . 1 . . . A 107 TRP HE3 . 34126 1 1336 . 1 1 113 113 TRP HZ2 H 1 7.481 0.020 . 1 . . . A 107 TRP HZ2 . 34126 1 1337 . 1 1 113 113 TRP HZ3 H 1 7.133 0.020 . 1 . . . A 107 TRP HZ3 . 34126 1 1338 . 1 1 113 113 TRP HH2 H 1 7.210 0.020 . 1 . . . A 107 TRP HH2 . 34126 1 1339 . 1 1 113 113 TRP CA C 13 58.583 0.100 . 1 . . . A 107 TRP CA . 34126 1 1340 . 1 1 113 113 TRP CB C 13 30.114 0.100 . 1 . . . A 107 TRP CB . 34126 1 1341 . 1 1 113 113 TRP CD1 C 13 127.078 0.100 . 1 . . . A 107 TRP CD1 . 34126 1 1342 . 1 1 113 113 TRP CE3 C 13 121.313 0.100 . 1 . . . A 107 TRP CE3 . 34126 1 1343 . 1 1 113 113 TRP CZ2 C 13 114.621 0.100 . 1 . . . A 107 TRP CZ2 . 34126 1 1344 . 1 1 113 113 TRP CZ3 C 13 121.910 0.100 . 1 . . . A 107 TRP CZ3 . 34126 1 1345 . 1 1 113 113 TRP CH2 C 13 124.494 0.100 . 1 . . . A 107 TRP CH2 . 34126 1 1346 . 1 1 113 113 TRP N N 15 127.739 0.100 . 1 . . . A 107 TRP N . 34126 1 1347 . 1 1 113 113 TRP NE1 N 15 128.205 0.100 . 1 . . . A 107 TRP NE1 . 34126 1 stop_ save_