data_34127 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34127 _Entry.Title ; NMR structure and 1H, 13C and 15N signal assignments for Dictyostelium discoidans MATB protein S71A mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-22 _Entry.Accession_date 2017-04-22 _Entry.Last_release_date 2017-05-08 _Entry.Original_release_date 2017-05-08 _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. . . . 34127 2 K. Hedgethorne K. . . . 34127 3 J.-C. Yang J. . . . 34127 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding protein' . 34127 Homeobox . 34127 'Mating type determination factor' . 34127 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34127 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 34127 '15N chemical shifts' 124 34127 '1H chemical shifts' 746 34127 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 . 34127 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NR6 'BMRB Entry Tracking System' 34127 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34127 _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. . . . 34127 1 2 Sebastian Eustermann S. . . . 34127 1 3 Ji-Chun Yang J. C. . . 34127 1 4 Tom Ogden . . . . 34127 1 5 David Neuhaus D. . . . 34127 1 6 Gareth Bloomfield G. . . . 34127 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34127 _Assembly.ID 1 _Assembly.Name 'MatB 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 . . . . . . 34127 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34127 _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 ; GSHMASMDQLDEIIEQIQKE AINSNVVLKNPRVPTQKTGE LSEEQKKIVADYISEVGLNN LNATELSKRLNITVDKAKTY IKNSNRMGRTNNFKTIKMFE DDVSSASAQPNLP ; _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 12652.264 _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 . 34127 1 2 -4 SER . 34127 1 3 -3 HIS . 34127 1 4 -2 MET . 34127 1 5 -1 ALA . 34127 1 6 0 SER . 34127 1 7 1 MET . 34127 1 8 2 ASP . 34127 1 9 3 GLN . 34127 1 10 4 LEU . 34127 1 11 5 ASP . 34127 1 12 6 GLU . 34127 1 13 7 ILE . 34127 1 14 8 ILE . 34127 1 15 9 GLU . 34127 1 16 10 GLN . 34127 1 17 11 ILE . 34127 1 18 12 GLN . 34127 1 19 13 LYS . 34127 1 20 14 GLU . 34127 1 21 15 ALA . 34127 1 22 16 ILE . 34127 1 23 17 ASN . 34127 1 24 18 SER . 34127 1 25 19 ASN . 34127 1 26 20 VAL . 34127 1 27 21 VAL . 34127 1 28 22 LEU . 34127 1 29 23 LYS . 34127 1 30 24 ASN . 34127 1 31 25 PRO . 34127 1 32 26 ARG . 34127 1 33 27 VAL . 34127 1 34 28 PRO . 34127 1 35 29 THR . 34127 1 36 30 GLN . 34127 1 37 31 LYS . 34127 1 38 32 THR . 34127 1 39 33 GLY . 34127 1 40 34 GLU . 34127 1 41 35 LEU . 34127 1 42 36 SER . 34127 1 43 37 GLU . 34127 1 44 38 GLU . 34127 1 45 39 GLN . 34127 1 46 40 LYS . 34127 1 47 41 LYS . 34127 1 48 42 ILE . 34127 1 49 43 VAL . 34127 1 50 44 ALA . 34127 1 51 45 ASP . 34127 1 52 46 TYR . 34127 1 53 47 ILE . 34127 1 54 48 SER . 34127 1 55 49 GLU . 34127 1 56 50 VAL . 34127 1 57 51 GLY . 34127 1 58 52 LEU . 34127 1 59 53 ASN . 34127 1 60 54 ASN . 34127 1 61 55 LEU . 34127 1 62 56 ASN . 34127 1 63 57 ALA . 34127 1 64 58 THR . 34127 1 65 59 GLU . 34127 1 66 60 LEU . 34127 1 67 61 SER . 34127 1 68 62 LYS . 34127 1 69 63 ARG . 34127 1 70 64 LEU . 34127 1 71 65 ASN . 34127 1 72 66 ILE . 34127 1 73 67 THR . 34127 1 74 68 VAL . 34127 1 75 69 ASP . 34127 1 76 70 LYS . 34127 1 77 71 ALA . 34127 1 78 72 LYS . 34127 1 79 73 THR . 34127 1 80 74 TYR . 34127 1 81 75 ILE . 34127 1 82 76 LYS . 34127 1 83 77 ASN . 34127 1 84 78 SER . 34127 1 85 79 ASN . 34127 1 86 80 ARG . 34127 1 87 81 MET . 34127 1 88 82 GLY . 34127 1 89 83 ARG . 34127 1 90 84 THR . 34127 1 91 85 ASN . 34127 1 92 86 ASN . 34127 1 93 87 PHE . 34127 1 94 88 LYS . 34127 1 95 89 THR . 34127 1 96 90 ILE . 34127 1 97 91 LYS . 34127 1 98 92 MET . 34127 1 99 93 PHE . 34127 1 100 94 GLU . 34127 1 101 95 ASP . 34127 1 102 96 ASP . 34127 1 103 97 VAL . 34127 1 104 98 SER . 34127 1 105 99 SER . 34127 1 106 100 ALA . 34127 1 107 101 SER . 34127 1 108 102 ALA . 34127 1 109 103 GLN . 34127 1 110 104 PRO . 34127 1 111 105 ASN . 34127 1 112 106 LEU . 34127 1 113 107 PRO . 34127 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 34127 1 . SER 2 2 34127 1 . HIS 3 3 34127 1 . MET 4 4 34127 1 . ALA 5 5 34127 1 . SER 6 6 34127 1 . MET 7 7 34127 1 . ASP 8 8 34127 1 . GLN 9 9 34127 1 . LEU 10 10 34127 1 . ASP 11 11 34127 1 . GLU 12 12 34127 1 . ILE 13 13 34127 1 . ILE 14 14 34127 1 . GLU 15 15 34127 1 . GLN 16 16 34127 1 . ILE 17 17 34127 1 . GLN 18 18 34127 1 . LYS 19 19 34127 1 . GLU 20 20 34127 1 . ALA 21 21 34127 1 . ILE 22 22 34127 1 . ASN 23 23 34127 1 . SER 24 24 34127 1 . ASN 25 25 34127 1 . VAL 26 26 34127 1 . VAL 27 27 34127 1 . LEU 28 28 34127 1 . LYS 29 29 34127 1 . ASN 30 30 34127 1 . PRO 31 31 34127 1 . ARG 32 32 34127 1 . VAL 33 33 34127 1 . PRO 34 34 34127 1 . THR 35 35 34127 1 . GLN 36 36 34127 1 . LYS 37 37 34127 1 . THR 38 38 34127 1 . GLY 39 39 34127 1 . GLU 40 40 34127 1 . LEU 41 41 34127 1 . SER 42 42 34127 1 . GLU 43 43 34127 1 . GLU 44 44 34127 1 . GLN 45 45 34127 1 . LYS 46 46 34127 1 . LYS 47 47 34127 1 . ILE 48 48 34127 1 . VAL 49 49 34127 1 . ALA 50 50 34127 1 . ASP 51 51 34127 1 . TYR 52 52 34127 1 . ILE 53 53 34127 1 . SER 54 54 34127 1 . GLU 55 55 34127 1 . VAL 56 56 34127 1 . GLY 57 57 34127 1 . LEU 58 58 34127 1 . ASN 59 59 34127 1 . ASN 60 60 34127 1 . LEU 61 61 34127 1 . ASN 62 62 34127 1 . ALA 63 63 34127 1 . THR 64 64 34127 1 . GLU 65 65 34127 1 . LEU 66 66 34127 1 . SER 67 67 34127 1 . LYS 68 68 34127 1 . ARG 69 69 34127 1 . LEU 70 70 34127 1 . ASN 71 71 34127 1 . ILE 72 72 34127 1 . THR 73 73 34127 1 . VAL 74 74 34127 1 . ASP 75 75 34127 1 . LYS 76 76 34127 1 . ALA 77 77 34127 1 . LYS 78 78 34127 1 . THR 79 79 34127 1 . TYR 80 80 34127 1 . ILE 81 81 34127 1 . LYS 82 82 34127 1 . ASN 83 83 34127 1 . SER 84 84 34127 1 . ASN 85 85 34127 1 . ARG 86 86 34127 1 . MET 87 87 34127 1 . GLY 88 88 34127 1 . ARG 89 89 34127 1 . THR 90 90 34127 1 . ASN 91 91 34127 1 . ASN 92 92 34127 1 . PHE 93 93 34127 1 . LYS 94 94 34127 1 . THR 95 95 34127 1 . ILE 96 96 34127 1 . LYS 97 97 34127 1 . MET 98 98 34127 1 . PHE 99 99 34127 1 . GLU 100 100 34127 1 . ASP 101 101 34127 1 . ASP 102 102 34127 1 . VAL 103 103 34127 1 . SER 104 104 34127 1 . SER 105 105 34127 1 . ALA 106 106 34127 1 . SER 107 107 34127 1 . ALA 108 108 34127 1 . GLN 109 109 34127 1 . PRO 110 110 34127 1 . ASN 111 111 34127 1 . LEU 112 112 34127 1 . PRO 113 113 34127 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 34127 _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 . . . . . . . . . . . matB . 34127 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 34127 _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 . . . 34127 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34127 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 600 uM [U-15N] MATB, 25 mM sodium phosphate, 100 mM sodium chloride, 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 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 34127 1 2 MATB [U-15N] . . 1 $entity_1 . . 600 . . uM 100 . . . 34127 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34127 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34127 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34127 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 600 uM [U-13C; U-15N] MATB, 25 mM sodium phosphate, 100 mM sodium chloride, 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 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 34127 2 2 MATB '[U-13C; U-15N]' . . 1 $entity_1 . . 600 . . uM 100 . . . 34127 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34127 2 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34127 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 34127 _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 pH 6.0 . pH 34127 1 pressure 1 . atm 34127 1 temperature 274 . K 34127 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34127 _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' . . 34127 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34127 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34127 _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 . . 34127 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34127 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34127 _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' . . 34127 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34127 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34127 _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 . . 34127 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34127 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34127 _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' . . 34127 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34127 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 34127 _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 34127 _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 34127 _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 . . . 34127 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 34127 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 34127 _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 . . . . . . . . . . . . . . . . 34127 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34127 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34127 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 6 '3D HNHAHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 8 '3D [1H-13C-1H] HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 9 '3D [13C-13C-1H] HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 10 '3D [1H-13C-1H] HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 11 '3D 1H-15N NOESY (mix. time 150ms)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 12 '3D 1H-13C NOESY aliphatic (mix. time 150ms)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 1 13 '3D 1H-13C NOESY aromatic (mix. time 150ms)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34127 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 34127 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; A small correction of -0.88 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 . . 34127 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 . . 34127 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 . . 34127 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 34127 _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' . . . 34127 1 2 '2D 1H-13C HSQC' . . . 34127 1 3 '2D 1H-13C HSQC aliphatic' . . . 34127 1 4 '3D HNCACB' . . . 34127 1 5 '3D CBCA(CO)NH' . . . 34127 1 6 '3D HNHAHB' . . . 34127 1 7 '3D HBHA(CO)NH' . . . 34127 1 8 '3D [1H-13C-1H] HCCH-TOCSY' . . . 34127 1 9 '3D [13C-13C-1H] HCCH-TOCSY' . . . 34127 1 10 '3D [1H-13C-1H] HCCH-COSY' . . . 34127 1 11 '3D 1H-15N NOESY (mix. time 150ms)' . . . 34127 1 12 '3D 1H-13C NOESY aliphatic (mix. time 150ms)' . . . 34127 1 13 '3D 1H-13C NOESY aromatic (mix. time 150ms)' . . . 34127 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 3.899 0.020 . 1 . . . A -5 GLY HA2 . 34127 1 2 . 1 1 1 1 GLY HA3 H 1 3.899 0.020 . 1 . . . A -5 GLY HA3 . 34127 1 3 . 1 1 2 2 SER H H 1 8.836 0.020 . 1 . . . A -4 SER H . 34127 1 4 . 1 1 2 2 SER HA H 1 4.479 0.020 . 1 . . . A -4 SER HA . 34127 1 5 . 1 1 2 2 SER HB2 H 1 3.837 0.020 . 2 . . . A -4 SER HB2 . 34127 1 6 . 1 1 2 2 SER CA C 13 58.344 0.100 . 1 . . . A -4 SER CA . 34127 1 7 . 1 1 2 2 SER CB C 13 63.973 0.100 . 1 . . . A -4 SER CB . 34127 1 8 . 1 1 2 2 SER N N 15 114.885 0.100 . 1 . . . A -4 SER N . 34127 1 9 . 1 1 3 3 HIS H H 1 8.858 0.020 . 1 . . . A -3 HIS H . 34127 1 10 . 1 1 3 3 HIS HA H 1 4.722 0.020 . 1 . . . A -3 HIS HA . 34127 1 11 . 1 1 3 3 HIS HB2 H 1 3.268 0.020 . 2 . . . A -3 HIS HB2 . 34127 1 12 . 1 1 3 3 HIS HB3 H 1 3.180 0.020 . 2 . . . A -3 HIS HB3 . 34127 1 13 . 1 1 3 3 HIS HD2 H 1 7.252 0.020 . 1 . . . A -3 HIS HD2 . 34127 1 14 . 1 1 3 3 HIS CA C 13 55.696 0.100 . 1 . . . A -3 HIS CA . 34127 1 15 . 1 1 3 3 HIS CB C 13 29.234 0.100 . 1 . . . A -3 HIS CB . 34127 1 16 . 1 1 3 3 HIS N N 15 120.272 0.100 . 1 . . . A -3 HIS N . 34127 1 17 . 1 1 4 4 MET H H 1 8.563 0.020 . 1 . . . A -2 MET H . 34127 1 18 . 1 1 4 4 MET HA H 1 4.470 0.020 . 1 . . . A -2 MET HA . 34127 1 19 . 1 1 4 4 MET HB2 H 1 2.081 0.020 . 2 . . . A -2 MET HB2 . 34127 1 20 . 1 1 4 4 MET HB3 H 1 1.963 0.020 . 2 . . . A -2 MET HB3 . 34127 1 21 . 1 1 4 4 MET HG2 H 1 2.591 0.020 . 2 . . . A -2 MET HG2 . 34127 1 22 . 1 1 4 4 MET HG3 H 1 2.516 0.020 . 2 . . . A -2 MET HG3 . 34127 1 23 . 1 1 4 4 MET CA C 13 55.398 0.100 . 1 . . . A -2 MET CA . 34127 1 24 . 1 1 4 4 MET CB C 13 33.012 0.100 . 1 . . . A -2 MET CB . 34127 1 25 . 1 1 4 4 MET CG C 13 31.673 0.100 . 1 . . . A -2 MET CG . 34127 1 26 . 1 1 4 4 MET N N 15 121.905 0.100 . 1 . . . A -2 MET N . 34127 1 27 . 1 1 5 5 ALA H H 1 8.633 0.020 . 1 . . . A -1 ALA H . 34127 1 28 . 1 1 5 5 ALA HA H 1 4.320 0.020 . 1 . . . A -1 ALA HA . 34127 1 29 . 1 1 5 5 ALA HB1 H 1 1.419 0.020 . 1 . . . A -1 ALA HB1 . 34127 1 30 . 1 1 5 5 ALA HB2 H 1 1.419 0.020 . 1 . . . A -1 ALA HB2 . 34127 1 31 . 1 1 5 5 ALA HB3 H 1 1.419 0.020 . 1 . . . A -1 ALA HB3 . 34127 1 32 . 1 1 5 5 ALA CA C 13 52.849 0.100 . 1 . . . A -1 ALA CA . 34127 1 33 . 1 1 5 5 ALA CB C 13 19.146 0.100 . 1 . . . A -1 ALA CB . 34127 1 34 . 1 1 5 5 ALA N N 15 125.294 0.100 . 1 . . . A -1 ALA N . 34127 1 35 . 1 1 6 6 SER H H 1 8.452 0.020 . 1 . . . A 0 SER H . 34127 1 36 . 1 1 6 6 SER HA H 1 4.409 0.020 . 1 . . . A 0 SER HA . 34127 1 37 . 1 1 6 6 SER HB2 H 1 3.869 0.020 . 2 . . . A 0 SER HB2 . 34127 1 38 . 1 1 6 6 SER HB3 H 1 3.945 0.020 . 2 . . . A 0 SER HB3 . 34127 1 39 . 1 1 6 6 SER CA C 13 58.533 0.100 . 1 . . . A 0 SER CA . 34127 1 40 . 1 1 6 6 SER CB C 13 63.673 0.100 . 1 . . . A 0 SER CB . 34127 1 41 . 1 1 6 6 SER N N 15 114.242 0.100 . 1 . . . A 0 SER N . 34127 1 42 . 1 1 7 7 MET H H 1 8.558 0.020 . 1 . . . A 1 MET H . 34127 1 43 . 1 1 7 7 MET HA H 1 4.499 0.020 . 1 . . . A 1 MET HA . 34127 1 44 . 1 1 7 7 MET HB2 H 1 2.014 0.020 . 2 . . . A 1 MET HB2 . 34127 1 45 . 1 1 7 7 MET HB3 H 1 2.148 0.020 . 2 . . . A 1 MET HB3 . 34127 1 46 . 1 1 7 7 MET HG2 H 1 2.636 0.020 . 2 . . . A 1 MET HG2 . 34127 1 47 . 1 1 7 7 MET HG3 H 1 2.543 0.020 . 2 . . . A 1 MET HG3 . 34127 1 48 . 1 1 7 7 MET CA C 13 55.839 0.100 . 1 . . . A 1 MET CA . 34127 1 49 . 1 1 7 7 MET CB C 13 32.595 0.100 . 1 . . . A 1 MET CB . 34127 1 50 . 1 1 7 7 MET CG C 13 32.213 0.100 . 1 . . . A 1 MET CG . 34127 1 51 . 1 1 7 7 MET N N 15 121.206 0.100 . 1 . . . A 1 MET N . 34127 1 52 . 1 1 8 8 ASP H H 1 8.376 0.020 . 1 . . . A 2 ASP H . 34127 1 53 . 1 1 8 8 ASP HA H 1 4.573 0.020 . 1 . . . A 2 ASP HA . 34127 1 54 . 1 1 8 8 ASP HB2 H 1 2.720 0.020 . 2 . . . A 2 ASP HB2 . 34127 1 55 . 1 1 8 8 ASP HB3 H 1 2.638 0.020 . 2 . . . A 2 ASP HB3 . 34127 1 56 . 1 1 8 8 ASP CA C 13 54.780 0.100 . 1 . . . A 2 ASP CA . 34127 1 57 . 1 1 8 8 ASP CB C 13 41.013 0.100 . 1 . . . A 2 ASP CB . 34127 1 58 . 1 1 8 8 ASP N N 15 119.796 0.100 . 1 . . . A 2 ASP N . 34127 1 59 . 1 1 9 9 GLN H H 1 8.333 0.020 . 1 . . . A 3 GLN H . 34127 1 60 . 1 1 9 9 GLN HA H 1 4.308 0.020 . 1 . . . A 3 GLN HA . 34127 1 61 . 1 1 9 9 GLN HB2 H 1 2.025 0.020 . 2 . . . A 3 GLN HB2 . 34127 1 62 . 1 1 9 9 GLN HB3 H 1 2.132 0.020 . 2 . . . A 3 GLN HB3 . 34127 1 63 . 1 1 9 9 GLN HE21 H 1 6.957 0.020 . 2 . . . A 3 GLN HE21 . 34127 1 64 . 1 1 9 9 GLN HE22 H 1 7.736 0.020 . 2 . . . A 3 GLN HE22 . 34127 1 65 . 1 1 9 9 GLN CA C 13 56.113 0.100 . 1 . . . A 3 GLN CA . 34127 1 66 . 1 1 9 9 GLN CB C 13 29.310 0.100 . 1 . . . A 3 GLN CB . 34127 1 67 . 1 1 9 9 GLN N N 15 119.387 0.100 . 1 . . . A 3 GLN N . 34127 1 68 . 1 1 9 9 GLN NE2 N 15 112.430 0.100 . 1 . . . A 3 GLN NE2 . 34127 1 69 . 1 1 10 10 LEU H H 1 8.410 0.020 . 1 . . . A 4 LEU H . 34127 1 70 . 1 1 10 10 LEU HA H 1 4.313 0.020 . 1 . . . A 4 LEU HA . 34127 1 71 . 1 1 10 10 LEU HB2 H 1 1.698 0.020 . 2 . . . A 4 LEU HB2 . 34127 1 72 . 1 1 10 10 LEU HB3 H 1 1.583 0.020 . 2 . . . A 4 LEU HB3 . 34127 1 73 . 1 1 10 10 LEU HD11 H 1 0.933 0.020 . 2 . . . A 4 LEU HD11 . 34127 1 74 . 1 1 10 10 LEU HD12 H 1 0.933 0.020 . 2 . . . A 4 LEU HD12 . 34127 1 75 . 1 1 10 10 LEU HD13 H 1 0.933 0.020 . 2 . . . A 4 LEU HD13 . 34127 1 76 . 1 1 10 10 LEU HD21 H 1 0.869 0.020 . 2 . . . A 4 LEU HD21 . 34127 1 77 . 1 1 10 10 LEU HD22 H 1 0.869 0.020 . 2 . . . A 4 LEU HD22 . 34127 1 78 . 1 1 10 10 LEU HD23 H 1 0.869 0.020 . 2 . . . A 4 LEU HD23 . 34127 1 79 . 1 1 10 10 LEU CA C 13 55.635 0.100 . 1 . . . A 4 LEU CA . 34127 1 80 . 1 1 10 10 LEU CB C 13 42.164 0.100 . 1 . . . A 4 LEU CB . 34127 1 81 . 1 1 10 10 LEU CG C 13 26.923 0.100 . 1 . . . A 4 LEU CG . 34127 1 82 . 1 1 10 10 LEU CD1 C 13 24.925 0.100 . 2 . . . A 4 LEU CD1 . 34127 1 83 . 1 1 10 10 LEU CD2 C 13 23.479 0.100 . 2 . . . A 4 LEU CD2 . 34127 1 84 . 1 1 10 10 LEU N N 15 122.394 0.100 . 1 . . . A 4 LEU N . 34127 1 85 . 1 1 11 11 ASP H H 1 8.442 0.020 . 1 . . . A 5 ASP H . 34127 1 86 . 1 1 11 11 ASP HA H 1 4.555 0.020 . 1 . . . A 5 ASP HA . 34127 1 87 . 1 1 11 11 ASP HB2 H 1 2.709 0.020 . 2 . . . A 5 ASP HB2 . 34127 1 88 . 1 1 11 11 ASP HB3 H 1 2.624 0.020 . 2 . . . A 5 ASP HB3 . 34127 1 89 . 1 1 11 11 ASP CA C 13 54.880 0.100 . 1 . . . A 5 ASP CA . 34127 1 90 . 1 1 11 11 ASP CB C 13 41.046 0.100 . 1 . . . A 5 ASP CB . 34127 1 91 . 1 1 11 11 ASP N N 15 120.021 0.100 . 1 . . . A 5 ASP N . 34127 1 92 . 1 1 12 12 GLU H H 1 8.353 0.020 . 1 . . . A 6 GLU H . 34127 1 93 . 1 1 12 12 GLU HA H 1 4.224 0.020 . 1 . . . A 6 GLU HA . 34127 1 94 . 1 1 12 12 GLU HB2 H 1 1.979 0.020 . 2 . . . A 6 GLU HB2 . 34127 1 95 . 1 1 12 12 GLU HB3 H 1 2.030 0.020 . 2 . . . A 6 GLU HB3 . 34127 1 96 . 1 1 12 12 GLU HG2 H 1 2.224 0.020 . 2 . . . A 6 GLU HG2 . 34127 1 97 . 1 1 12 12 GLU HG3 H 1 2.303 0.020 . 2 . . . A 6 GLU HG3 . 34127 1 98 . 1 1 12 12 GLU CA C 13 57.036 0.100 . 1 . . . A 6 GLU CA . 34127 1 99 . 1 1 12 12 GLU CB C 13 30.119 0.100 . 1 . . . A 6 GLU CB . 34127 1 100 . 1 1 12 12 GLU CG C 13 36.229 0.100 . 1 . . . A 6 GLU CG . 34127 1 101 . 1 1 12 12 GLU N N 15 120.324 0.100 . 1 . . . A 6 GLU N . 34127 1 102 . 1 1 13 13 ILE H H 1 8.330 0.020 . 1 . . . A 7 ILE H . 34127 1 103 . 1 1 13 13 ILE HA H 1 4.063 0.020 . 1 . . . A 7 ILE HA . 34127 1 104 . 1 1 13 13 ILE HB H 1 1.910 0.020 . 1 . . . A 7 ILE HB . 34127 1 105 . 1 1 13 13 ILE HG12 H 1 1.200 0.020 . 2 . . . A 7 ILE HG12 . 34127 1 106 . 1 1 13 13 ILE HG13 H 1 1.541 0.020 . 2 . . . A 7 ILE HG13 . 34127 1 107 . 1 1 13 13 ILE HD11 H 1 0.853 0.020 . 1 . . . A 7 ILE HD11 . 34127 1 108 . 1 1 13 13 ILE HD12 H 1 0.853 0.020 . 1 . . . A 7 ILE HD12 . 34127 1 109 . 1 1 13 13 ILE HD13 H 1 0.853 0.020 . 1 . . . A 7 ILE HD13 . 34127 1 110 . 1 1 13 13 ILE CA C 13 61.755 0.100 . 1 . . . A 7 ILE CA . 34127 1 111 . 1 1 13 13 ILE CB C 13 38.303 0.100 . 1 . . . A 7 ILE CB . 34127 1 112 . 1 1 13 13 ILE CG1 C 13 27.676 0.100 . 1 . . . A 7 ILE CG1 . 34127 1 113 . 1 1 13 13 ILE CD1 C 13 12.747 0.100 . 1 . . . A 7 ILE CD1 . 34127 1 114 . 1 1 13 13 ILE N N 15 122.244 0.100 . 1 . . . A 7 ILE N . 34127 1 115 . 1 1 14 14 ILE H H 1 8.363 0.020 . 1 . . . A 8 ILE H . 34127 1 116 . 1 1 14 14 ILE HA H 1 4.063 0.020 . 1 . . . A 8 ILE HA . 34127 1 117 . 1 1 14 14 ILE HB H 1 1.879 0.020 . 1 . . . A 8 ILE HB . 34127 1 118 . 1 1 14 14 ILE HG12 H 1 1.194 0.020 . 2 . . . A 8 ILE HG12 . 34127 1 119 . 1 1 14 14 ILE HG13 H 1 1.520 0.020 . 2 . . . A 8 ILE HG13 . 34127 1 120 . 1 1 14 14 ILE HG21 H 1 0.894 0.020 . 1 . . . A 8 ILE HG21 . 34127 1 121 . 1 1 14 14 ILE HG22 H 1 0.894 0.020 . 1 . . . A 8 ILE HG22 . 34127 1 122 . 1 1 14 14 ILE HG23 H 1 0.894 0.020 . 1 . . . A 8 ILE HG23 . 34127 1 123 . 1 1 14 14 ILE HD11 H 1 0.860 0.020 . 1 . . . A 8 ILE HD11 . 34127 1 124 . 1 1 14 14 ILE HD12 H 1 0.860 0.020 . 1 . . . A 8 ILE HD12 . 34127 1 125 . 1 1 14 14 ILE HD13 H 1 0.860 0.020 . 1 . . . A 8 ILE HD13 . 34127 1 126 . 1 1 14 14 ILE CA C 13 61.678 0.100 . 1 . . . A 8 ILE CA . 34127 1 127 . 1 1 14 14 ILE CB C 13 38.328 0.100 . 1 . . . A 8 ILE CB . 34127 1 128 . 1 1 14 14 ILE CG1 C 13 27.664 0.100 . 1 . . . A 8 ILE CG1 . 34127 1 129 . 1 1 14 14 ILE CG2 C 13 17.451 0.100 . 1 . . . A 8 ILE CG2 . 34127 1 130 . 1 1 14 14 ILE CD1 C 13 12.778 0.100 . 1 . . . A 8 ILE CD1 . 34127 1 131 . 1 1 14 14 ILE N N 15 124.687 0.100 . 1 . . . A 8 ILE N . 34127 1 132 . 1 1 15 15 GLU H H 1 8.547 0.020 . 1 . . . A 9 GLU H . 34127 1 133 . 1 1 15 15 GLU HA H 1 4.212 0.020 . 1 . . . A 9 GLU HA . 34127 1 134 . 1 1 15 15 GLU HB2 H 1 2.030 0.020 . 2 . . . A 9 GLU HB2 . 34127 1 135 . 1 1 15 15 GLU HB3 H 1 1.979 0.020 . 2 . . . A 9 GLU HB3 . 34127 1 136 . 1 1 15 15 GLU HG2 H 1 2.231 0.020 . 2 . . . A 9 GLU HG2 . 34127 1 137 . 1 1 15 15 GLU HG3 H 1 2.314 0.020 . 2 . . . A 9 GLU HG3 . 34127 1 138 . 1 1 15 15 GLU N N 15 123.989 0.100 . 1 . . . A 9 GLU N . 34127 1 139 . 1 1 16 16 GLN H H 1 8.553 0.020 . 1 . . . A 10 GLN H . 34127 1 140 . 1 1 16 16 GLN HA H 1 4.255 0.020 . 1 . . . A 10 GLN HA . 34127 1 141 . 1 1 16 16 GLN HB2 H 1 2.036 0.020 . 2 . . . A 10 GLN HB2 . 34127 1 142 . 1 1 16 16 GLN HG2 H 1 2.406 0.020 . 2 . . . A 10 GLN HG2 . 34127 1 143 . 1 1 16 16 GLN CA C 13 56.419 0.100 . 1 . . . A 10 GLN CA . 34127 1 144 . 1 1 16 16 GLN CB C 13 29.108 0.100 . 1 . . . A 10 GLN CB . 34127 1 145 . 1 1 16 16 GLN CG C 13 33.679 0.100 . 1 . . . A 10 GLN CG . 34127 1 146 . 1 1 17 17 ILE H H 1 8.351 0.020 . 1 . . . A 11 ILE H . 34127 1 147 . 1 1 17 17 ILE HA H 1 4.046 0.020 . 1 . . . A 11 ILE HA . 34127 1 148 . 1 1 17 17 ILE HB H 1 1.878 0.020 . 1 . . . A 11 ILE HB . 34127 1 149 . 1 1 17 17 ILE HG12 H 1 1.559 0.020 . 2 . . . A 11 ILE HG12 . 34127 1 150 . 1 1 17 17 ILE HG13 H 1 1.194 0.020 . 2 . . . A 11 ILE HG13 . 34127 1 151 . 1 1 17 17 ILE HG21 H 1 0.893 0.020 . 1 . . . A 11 ILE HG21 . 34127 1 152 . 1 1 17 17 ILE HG22 H 1 0.893 0.020 . 1 . . . A 11 ILE HG22 . 34127 1 153 . 1 1 17 17 ILE HG23 H 1 0.893 0.020 . 1 . . . A 11 ILE HG23 . 34127 1 154 . 1 1 17 17 ILE HD11 H 1 0.852 0.020 . 1 . . . A 11 ILE HD11 . 34127 1 155 . 1 1 17 17 ILE HD12 H 1 0.852 0.020 . 1 . . . A 11 ILE HD12 . 34127 1 156 . 1 1 17 17 ILE HD13 H 1 0.852 0.020 . 1 . . . A 11 ILE HD13 . 34127 1 157 . 1 1 17 17 ILE CA C 13 62.088 0.100 . 1 . . . A 11 ILE CA . 34127 1 158 . 1 1 17 17 ILE CB C 13 38.449 0.100 . 1 . . . A 11 ILE CB . 34127 1 159 . 1 1 17 17 ILE CG1 C 13 27.777 0.100 . 1 . . . A 11 ILE CG1 . 34127 1 160 . 1 1 17 17 ILE CG2 C 13 17.362 0.100 . 1 . . . A 11 ILE CG2 . 34127 1 161 . 1 1 17 17 ILE CD1 C 13 12.882 0.100 . 1 . . . A 11 ILE CD1 . 34127 1 162 . 1 1 17 17 ILE N N 15 121.737 0.100 . 1 . . . A 11 ILE N . 34127 1 163 . 1 1 18 18 GLN H H 1 8.548 0.020 . 1 . . . A 12 GLN H . 34127 1 164 . 1 1 18 18 GLN HB2 H 1 2.108 0.020 . 2 . . . A 12 GLN HB2 . 34127 1 165 . 1 1 18 18 GLN HB3 H 1 2.038 0.020 . 2 . . . A 12 GLN HB3 . 34127 1 166 . 1 1 18 18 GLN HG2 H 1 2.406 0.020 . 2 . . . A 12 GLN HG2 . 34127 1 167 . 1 1 18 18 GLN HE21 H 1 6.997 0.020 . 2 . . . A 12 GLN HE21 . 34127 1 168 . 1 1 18 18 GLN HE22 H 1 7.657 0.020 . 2 . . . A 12 GLN HE22 . 34127 1 169 . 1 1 18 18 GLN N N 15 123.278 0.100 . 1 . . . A 12 GLN N . 34127 1 170 . 1 1 18 18 GLN NE2 N 15 112.161 0.100 . 1 . . . A 12 GLN NE2 . 34127 1 171 . 1 1 19 19 LYS H H 1 8.477 0.020 . 1 . . . A 13 LYS H . 34127 1 172 . 1 1 19 19 LYS HA H 1 4.226 0.020 . 1 . . . A 13 LYS HA . 34127 1 173 . 1 1 19 19 LYS HB2 H 1 1.860 0.020 . 2 . . . A 13 LYS HB2 . 34127 1 174 . 1 1 19 19 LYS HB3 H 1 1.794 0.020 . 2 . . . A 13 LYS HB3 . 34127 1 175 . 1 1 19 19 LYS HE2 H 1 2.994 0.020 . 2 . . . A 13 LYS HE2 . 34127 1 176 . 1 1 19 19 LYS CA C 13 57.117 0.100 . 1 . . . A 13 LYS CA . 34127 1 177 . 1 1 19 19 LYS CB C 13 33.075 0.100 . 1 . . . A 13 LYS CB . 34127 1 178 . 1 1 19 19 LYS CE C 13 42.143 0.100 . 1 . . . A 13 LYS CE . 34127 1 179 . 1 1 19 19 LYS N N 15 122.307 0.100 . 1 . . . A 13 LYS N . 34127 1 180 . 1 1 20 20 GLU H H 1 8.489 0.020 . 1 . . . A 14 GLU H . 34127 1 181 . 1 1 20 20 GLU HA H 1 4.222 0.020 . 1 . . . A 14 GLU HA . 34127 1 182 . 1 1 20 20 GLU HB2 H 1 1.971 0.020 . 2 . . . A 14 GLU HB2 . 34127 1 183 . 1 1 20 20 GLU HB3 H 1 2.056 0.020 . 2 . . . A 14 GLU HB3 . 34127 1 184 . 1 1 20 20 GLU HG2 H 1 2.287 0.020 . 2 . . . A 14 GLU HG2 . 34127 1 185 . 1 1 20 20 GLU HG3 H 1 2.349 0.020 . 2 . . . A 14 GLU HG3 . 34127 1 186 . 1 1 20 20 GLU CA C 13 56.804 0.100 . 1 . . . A 14 GLU CA . 34127 1 187 . 1 1 20 20 GLU CB C 13 30.176 0.100 . 1 . . . A 14 GLU CB . 34127 1 188 . 1 1 20 20 GLU CG C 13 36.221 0.100 . 1 . . . A 14 GLU CG . 34127 1 189 . 1 1 20 20 GLU N N 15 120.614 0.100 . 1 . . . A 14 GLU N . 34127 1 190 . 1 1 21 21 ALA H H 1 8.400 0.020 . 1 . . . A 15 ALA H . 34127 1 191 . 1 1 21 21 ALA HA H 1 4.301 0.020 . 1 . . . A 15 ALA HA . 34127 1 192 . 1 1 21 21 ALA HB1 H 1 1.413 0.020 . 1 . . . A 15 ALA HB1 . 34127 1 193 . 1 1 21 21 ALA HB2 H 1 1.413 0.020 . 1 . . . A 15 ALA HB2 . 34127 1 194 . 1 1 21 21 ALA HB3 H 1 1.413 0.020 . 1 . . . A 15 ALA HB3 . 34127 1 195 . 1 1 21 21 ALA CA C 13 52.727 0.100 . 1 . . . A 15 ALA CA . 34127 1 196 . 1 1 21 21 ALA CB C 13 18.998 0.100 . 1 . . . A 15 ALA CB . 34127 1 197 . 1 1 21 21 ALA N N 15 124.422 0.100 . 1 . . . A 15 ALA N . 34127 1 198 . 1 1 22 22 ILE H H 1 8.233 0.020 . 1 . . . A 16 ILE H . 34127 1 199 . 1 1 22 22 ILE HA H 1 4.089 0.020 . 1 . . . A 16 ILE HA . 34127 1 200 . 1 1 22 22 ILE HB H 1 1.873 0.020 . 1 . . . A 16 ILE HB . 34127 1 201 . 1 1 22 22 ILE HG12 H 1 1.200 0.020 . 2 . . . A 16 ILE HG12 . 34127 1 202 . 1 1 22 22 ILE HG13 H 1 1.526 0.020 . 2 . . . A 16 ILE HG13 . 34127 1 203 . 1 1 22 22 ILE HG21 H 1 0.907 0.020 . 1 . . . A 16 ILE HG21 . 34127 1 204 . 1 1 22 22 ILE HG22 H 1 0.907 0.020 . 1 . . . A 16 ILE HG22 . 34127 1 205 . 1 1 22 22 ILE HG23 H 1 0.907 0.020 . 1 . . . A 16 ILE HG23 . 34127 1 206 . 1 1 22 22 ILE HD11 H 1 0.869 0.020 . 1 . . . A 16 ILE HD11 . 34127 1 207 . 1 1 22 22 ILE HD12 H 1 0.869 0.020 . 1 . . . A 16 ILE HD12 . 34127 1 208 . 1 1 22 22 ILE HD13 H 1 0.869 0.020 . 1 . . . A 16 ILE HD13 . 34127 1 209 . 1 1 22 22 ILE CA C 13 61.646 0.100 . 1 . . . A 16 ILE CA . 34127 1 210 . 1 1 22 22 ILE CB C 13 38.667 0.100 . 1 . . . A 16 ILE CB . 34127 1 211 . 1 1 22 22 ILE CG1 C 13 27.668 0.100 . 1 . . . A 16 ILE CG1 . 34127 1 212 . 1 1 22 22 ILE CG2 C 13 17.372 0.100 . 1 . . . A 16 ILE CG2 . 34127 1 213 . 1 1 22 22 ILE CD1 C 13 12.969 0.100 . 1 . . . A 16 ILE CD1 . 34127 1 214 . 1 1 22 22 ILE N N 15 119.465 0.100 . 1 . . . A 16 ILE N . 34127 1 215 . 1 1 23 23 ASN H H 1 8.597 0.020 . 1 . . . A 17 ASN H . 34127 1 216 . 1 1 23 23 ASN HA H 1 4.746 0.020 . 1 . . . A 17 ASN HA . 34127 1 217 . 1 1 23 23 ASN HB2 H 1 2.892 0.020 . 2 . . . A 17 ASN HB2 . 34127 1 218 . 1 1 23 23 ASN HB3 H 1 2.796 0.020 . 2 . . . A 17 ASN HB3 . 34127 1 219 . 1 1 23 23 ASN HD21 H 1 7.046 0.020 . 2 . . . A 17 ASN HD21 . 34127 1 220 . 1 1 23 23 ASN HD22 H 1 7.777 0.020 . 2 . . . A 17 ASN HD22 . 34127 1 221 . 1 1 23 23 ASN CA C 13 53.374 0.100 . 1 . . . A 17 ASN CA . 34127 1 222 . 1 1 23 23 ASN CB C 13 38.841 0.100 . 1 . . . A 17 ASN CB . 34127 1 223 . 1 1 23 23 ASN N N 15 121.677 0.100 . 1 . . . A 17 ASN N . 34127 1 224 . 1 1 23 23 ASN ND2 N 15 112.554 0.100 . 1 . . . A 17 ASN ND2 . 34127 1 225 . 1 1 24 24 SER H H 1 8.452 0.020 . 1 . . . A 18 SER H . 34127 1 226 . 1 1 24 24 SER HA H 1 4.409 0.020 . 1 . . . A 18 SER HA . 34127 1 227 . 1 1 24 24 SER HB2 H 1 3.942 0.020 . 2 . . . A 18 SER HB2 . 34127 1 228 . 1 1 24 24 SER HB3 H 1 3.867 0.020 . 2 . . . A 18 SER HB3 . 34127 1 229 . 1 1 24 24 SER CA C 13 58.827 0.100 . 1 . . . A 18 SER CA . 34127 1 230 . 1 1 24 24 SER CB C 13 63.665 0.100 . 1 . . . A 18 SER CB . 34127 1 231 . 1 1 24 24 SER N N 15 116.025 0.100 . 1 . . . A 18 SER N . 34127 1 232 . 1 1 25 25 ASN H H 1 8.555 0.020 . 1 . . . A 19 ASN H . 34127 1 233 . 1 1 25 25 ASN HA H 1 4.722 0.020 . 1 . . . A 19 ASN HA . 34127 1 234 . 1 1 25 25 ASN HB2 H 1 2.793 0.020 . 2 . . . A 19 ASN HB2 . 34127 1 235 . 1 1 25 25 ASN HB3 H 1 2.849 0.020 . 2 . . . A 19 ASN HB3 . 34127 1 236 . 1 1 25 25 ASN HD21 H 1 7.727 0.020 . 2 . . . A 19 ASN HD21 . 34127 1 237 . 1 1 25 25 ASN HD22 H 1 7.031 0.020 . 2 . . . A 19 ASN HD22 . 34127 1 238 . 1 1 25 25 ASN CA C 13 53.516 0.100 . 1 . . . A 19 ASN CA . 34127 1 239 . 1 1 25 25 ASN CB C 13 38.834 0.100 . 1 . . . A 19 ASN CB . 34127 1 240 . 1 1 25 25 ASN N N 15 119.917 0.100 . 1 . . . A 19 ASN N . 34127 1 241 . 1 1 25 25 ASN ND2 N 15 112.560 0.100 . 1 . . . A 19 ASN ND2 . 34127 1 242 . 1 1 26 26 VAL H H 1 8.076 0.020 . 1 . . . A 20 VAL H . 34127 1 243 . 1 1 26 26 VAL HA H 1 4.055 0.020 . 1 . . . A 20 VAL HA . 34127 1 244 . 1 1 26 26 VAL HB H 1 2.039 0.020 . 1 . . . A 20 VAL HB . 34127 1 245 . 1 1 26 26 VAL HG11 H 1 0.905 0.020 . 2 . . . A 20 VAL HG11 . 34127 1 246 . 1 1 26 26 VAL HG12 H 1 0.905 0.020 . 2 . . . A 20 VAL HG12 . 34127 1 247 . 1 1 26 26 VAL HG13 H 1 0.905 0.020 . 2 . . . A 20 VAL HG13 . 34127 1 248 . 1 1 26 26 VAL HG21 H 1 0.952 0.020 . 2 . . . A 20 VAL HG21 . 34127 1 249 . 1 1 26 26 VAL HG22 H 1 0.952 0.020 . 2 . . . A 20 VAL HG22 . 34127 1 250 . 1 1 26 26 VAL HG23 H 1 0.952 0.020 . 2 . . . A 20 VAL HG23 . 34127 1 251 . 1 1 26 26 VAL CA C 13 62.658 0.100 . 1 . . . A 20 VAL CA . 34127 1 252 . 1 1 26 26 VAL CB C 13 32.784 0.100 . 1 . . . A 20 VAL CB . 34127 1 253 . 1 1 26 26 VAL CG1 C 13 21.141 0.100 . 2 . . . A 20 VAL CG1 . 34127 1 254 . 1 1 26 26 VAL CG2 C 13 20.741 0.100 . 2 . . . A 20 VAL CG2 . 34127 1 255 . 1 1 26 26 VAL N N 15 120.046 0.100 . 1 . . . A 20 VAL N . 34127 1 256 . 1 1 27 27 VAL H H 1 8.394 0.020 . 1 . . . A 21 VAL H . 34127 1 257 . 1 1 27 27 VAL HA H 1 4.046 0.020 . 1 . . . A 21 VAL HA . 34127 1 258 . 1 1 27 27 VAL HB H 1 2.019 0.020 . 1 . . . A 21 VAL HB . 34127 1 259 . 1 1 27 27 VAL HG11 H 1 0.952 0.020 . 2 . . . A 21 VAL HG11 . 34127 1 260 . 1 1 27 27 VAL HG12 H 1 0.952 0.020 . 2 . . . A 21 VAL HG12 . 34127 1 261 . 1 1 27 27 VAL HG13 H 1 0.952 0.020 . 2 . . . A 21 VAL HG13 . 34127 1 262 . 1 1 27 27 VAL HG21 H 1 0.905 0.020 . 2 . . . A 21 VAL HG21 . 34127 1 263 . 1 1 27 27 VAL HG22 H 1 0.905 0.020 . 2 . . . A 21 VAL HG22 . 34127 1 264 . 1 1 27 27 VAL HG23 H 1 0.905 0.020 . 2 . . . A 21 VAL HG23 . 34127 1 265 . 1 1 27 27 VAL CA C 13 62.511 0.100 . 1 . . . A 21 VAL CA . 34127 1 266 . 1 1 27 27 VAL CB C 13 32.704 0.100 . 1 . . . A 21 VAL CB . 34127 1 267 . 1 1 27 27 VAL CG1 C 13 20.794 0.100 . 2 . . . A 21 VAL CG1 . 34127 1 268 . 1 1 27 27 VAL CG2 C 13 21.286 0.100 . 2 . . . A 21 VAL CG2 . 34127 1 269 . 1 1 27 27 VAL N N 15 124.946 0.100 . 1 . . . A 21 VAL N . 34127 1 270 . 1 1 28 28 LEU H H 1 8.507 0.020 . 1 . . . A 22 LEU H . 34127 1 271 . 1 1 28 28 LEU HA H 1 4.354 0.020 . 1 . . . A 22 LEU HA . 34127 1 272 . 1 1 28 28 LEU HB2 H 1 1.636 0.020 . 2 . . . A 22 LEU HB2 . 34127 1 273 . 1 1 28 28 LEU HB3 H 1 1.535 0.020 . 2 . . . A 22 LEU HB3 . 34127 1 274 . 1 1 28 28 LEU HG H 1 1.494 0.020 . 1 . . . A 22 LEU HG . 34127 1 275 . 1 1 28 28 LEU HD11 H 1 0.935 0.020 . 2 . . . A 22 LEU HD11 . 34127 1 276 . 1 1 28 28 LEU HD12 H 1 0.935 0.020 . 2 . . . A 22 LEU HD12 . 34127 1 277 . 1 1 28 28 LEU HD13 H 1 0.935 0.020 . 2 . . . A 22 LEU HD13 . 34127 1 278 . 1 1 28 28 LEU HD21 H 1 0.869 0.020 . 2 . . . A 22 LEU HD21 . 34127 1 279 . 1 1 28 28 LEU HD22 H 1 0.869 0.020 . 2 . . . A 22 LEU HD22 . 34127 1 280 . 1 1 28 28 LEU HD23 H 1 0.869 0.020 . 2 . . . A 22 LEU HD23 . 34127 1 281 . 1 1 28 28 LEU CA C 13 54.878 0.100 . 1 . . . A 22 LEU CA . 34127 1 282 . 1 1 28 28 LEU CB C 13 42.272 0.100 . 1 . . . A 22 LEU CB . 34127 1 283 . 1 1 28 28 LEU CG C 13 26.955 0.100 . 1 . . . A 22 LEU CG . 34127 1 284 . 1 1 28 28 LEU N N 15 126.501 0.100 . 1 . . . A 22 LEU N . 34127 1 285 . 1 1 29 29 LYS H H 1 8.469 0.020 . 1 . . . A 23 LYS H . 34127 1 286 . 1 1 29 29 LYS HA H 1 4.261 0.020 . 1 . . . A 23 LYS HA . 34127 1 287 . 1 1 29 29 LYS HB2 H 1 1.784 0.020 . 2 . . . A 23 LYS HB2 . 34127 1 288 . 1 1 29 29 LYS HB3 H 1 1.738 0.020 . 2 . . . A 23 LYS HB3 . 34127 1 289 . 1 1 29 29 LYS HG2 H 1 1.380 0.020 . 2 . . . A 23 LYS HG2 . 34127 1 290 . 1 1 29 29 LYS HG3 H 1 1.452 0.020 . 2 . . . A 23 LYS HG3 . 34127 1 291 . 1 1 29 29 LYS CA C 13 56.236 0.100 . 1 . . . A 23 LYS CA . 34127 1 292 . 1 1 29 29 LYS CB C 13 33.150 0.100 . 1 . . . A 23 LYS CB . 34127 1 293 . 1 1 29 29 LYS N N 15 122.003 0.100 . 1 . . . A 23 LYS N . 34127 1 294 . 1 1 30 30 ASN H H 1 8.585 0.020 . 1 . . . A 24 ASN H . 34127 1 295 . 1 1 30 30 ASN HA H 1 4.953 0.020 . 1 . . . A 24 ASN HA . 34127 1 296 . 1 1 30 30 ASN HB2 H 1 2.672 0.020 . 2 . . . A 24 ASN HB2 . 34127 1 297 . 1 1 30 30 ASN HB3 H 1 2.844 0.020 . 2 . . . A 24 ASN HB3 . 34127 1 298 . 1 1 30 30 ASN HD21 H 1 7.793 0.020 . 2 . . . A 24 ASN HD21 . 34127 1 299 . 1 1 30 30 ASN HD22 H 1 7.059 0.020 . 2 . . . A 24 ASN HD22 . 34127 1 300 . 1 1 30 30 ASN CA C 13 51.223 0.100 . 1 . . . A 24 ASN CA . 34127 1 301 . 1 1 30 30 ASN CB C 13 38.839 0.100 . 1 . . . A 24 ASN CB . 34127 1 302 . 1 1 30 30 ASN N N 15 119.937 0.100 . 1 . . . A 24 ASN N . 34127 1 303 . 1 1 30 30 ASN ND2 N 15 112.757 0.100 . 1 . . . A 24 ASN ND2 . 34127 1 304 . 1 1 31 31 PRO HA H 1 4.419 0.020 . 1 . . . A 25 PRO HA . 34127 1 305 . 1 1 31 31 PRO HB2 H 1 1.923 0.020 . 2 . . . A 25 PRO HB2 . 34127 1 306 . 1 1 31 31 PRO HB3 H 1 2.284 0.020 . 2 . . . A 25 PRO HB3 . 34127 1 307 . 1 1 31 31 PRO HG2 H 1 2.020 0.020 . 2 . . . A 25 PRO HG2 . 34127 1 308 . 1 1 31 31 PRO HD2 H 1 3.781 0.020 . 2 . . . A 25 PRO HD2 . 34127 1 309 . 1 1 31 31 PRO HD3 H 1 3.711 0.020 . 2 . . . A 25 PRO HD3 . 34127 1 310 . 1 1 31 31 PRO CA C 13 63.111 0.100 . 1 . . . A 25 PRO CA . 34127 1 311 . 1 1 31 31 PRO CB C 13 32.227 0.100 . 1 . . . A 25 PRO CB . 34127 1 312 . 1 1 31 31 PRO CG C 13 27.326 0.100 . 1 . . . A 25 PRO CG . 34127 1 313 . 1 1 31 31 PRO CD C 13 50.656 0.100 . 1 . . . A 25 PRO CD . 34127 1 314 . 1 1 32 32 ARG H H 1 8.515 0.020 . 1 . . . A 26 ARG H . 34127 1 315 . 1 1 32 32 ARG HA H 1 4.285 0.020 . 1 . . . A 26 ARG HA . 34127 1 316 . 1 1 32 32 ARG HB2 H 1 1.772 0.020 . 2 . . . A 26 ARG HB2 . 34127 1 317 . 1 1 32 32 ARG HB3 H 1 1.831 0.020 . 2 . . . A 26 ARG HB3 . 34127 1 318 . 1 1 32 32 ARG HG2 H 1 1.588 0.020 . 2 . . . A 26 ARG HG2 . 34127 1 319 . 1 1 32 32 ARG HG3 H 1 1.668 0.020 . 2 . . . A 26 ARG HG3 . 34127 1 320 . 1 1 32 32 ARG HD2 H 1 3.209 0.020 . 2 . . . A 26 ARG HD2 . 34127 1 321 . 1 1 32 32 ARG CA C 13 56.228 0.100 . 1 . . . A 26 ARG CA . 34127 1 322 . 1 1 32 32 ARG CB C 13 30.645 0.100 . 1 . . . A 26 ARG CB . 34127 1 323 . 1 1 32 32 ARG CG C 13 27.096 0.100 . 1 . . . A 26 ARG CG . 34127 1 324 . 1 1 32 32 ARG CD C 13 43.295 0.100 . 1 . . . A 26 ARG CD . 34127 1 325 . 1 1 32 32 ARG N N 15 120.472 0.100 . 1 . . . A 26 ARG N . 34127 1 326 . 1 1 33 33 VAL H H 1 8.315 0.020 . 1 . . . A 27 VAL H . 34127 1 327 . 1 1 33 33 VAL HA H 1 4.431 0.020 . 1 . . . A 27 VAL HA . 34127 1 328 . 1 1 33 33 VAL HB H 1 2.089 0.020 . 1 . . . A 27 VAL HB . 34127 1 329 . 1 1 33 33 VAL HG11 H 1 0.995 0.020 . 2 . . . A 27 VAL HG11 . 34127 1 330 . 1 1 33 33 VAL HG12 H 1 0.995 0.020 . 2 . . . A 27 VAL HG12 . 34127 1 331 . 1 1 33 33 VAL HG13 H 1 0.995 0.020 . 2 . . . A 27 VAL HG13 . 34127 1 332 . 1 1 33 33 VAL HG21 H 1 0.954 0.020 . 2 . . . A 27 VAL HG21 . 34127 1 333 . 1 1 33 33 VAL HG22 H 1 0.954 0.020 . 2 . . . A 27 VAL HG22 . 34127 1 334 . 1 1 33 33 VAL HG23 H 1 0.954 0.020 . 2 . . . A 27 VAL HG23 . 34127 1 335 . 1 1 33 33 VAL CA C 13 59.888 0.100 . 1 . . . A 27 VAL CA . 34127 1 336 . 1 1 33 33 VAL CB C 13 32.673 0.100 . 1 . . . A 27 VAL CB . 34127 1 337 . 1 1 33 33 VAL CG1 C 13 20.930 0.100 . 2 . . . A 27 VAL CG1 . 34127 1 338 . 1 1 33 33 VAL CG2 C 13 20.370 0.100 . 2 . . . A 27 VAL CG2 . 34127 1 339 . 1 1 33 33 VAL N N 15 122.770 0.100 . 1 . . . A 27 VAL N . 34127 1 340 . 1 1 34 34 PRO HA H 1 4.481 0.020 . 1 . . . A 28 PRO HA . 34127 1 341 . 1 1 34 34 PRO HB2 H 1 1.920 0.020 . 2 . . . A 28 PRO HB2 . 34127 1 342 . 1 1 34 34 PRO HB3 H 1 2.340 0.020 . 2 . . . A 28 PRO HB3 . 34127 1 343 . 1 1 34 34 PRO HG2 H 1 2.070 0.020 . 2 . . . A 28 PRO HG2 . 34127 1 344 . 1 1 34 34 PRO HG3 H 1 1.999 0.020 . 2 . . . A 28 PRO HG3 . 34127 1 345 . 1 1 34 34 PRO HD2 H 1 3.908 0.020 . 2 . . . A 28 PRO HD2 . 34127 1 346 . 1 1 34 34 PRO HD3 H 1 3.724 0.020 . 2 . . . A 28 PRO HD3 . 34127 1 347 . 1 1 34 34 PRO CA C 13 63.144 0.100 . 1 . . . A 28 PRO CA . 34127 1 348 . 1 1 34 34 PRO CB C 13 32.299 0.100 . 1 . . . A 28 PRO CB . 34127 1 349 . 1 1 34 34 PRO CG C 13 27.453 0.100 . 1 . . . A 28 PRO CG . 34127 1 350 . 1 1 34 34 PRO CD C 13 51.161 0.100 . 1 . . . A 28 PRO CD . 34127 1 351 . 1 1 35 35 THR H H 1 8.446 0.020 . 1 . . . A 29 THR H . 34127 1 352 . 1 1 35 35 THR HA H 1 4.269 0.020 . 1 . . . A 29 THR HA . 34127 1 353 . 1 1 35 35 THR HB H 1 4.191 0.020 . 1 . . . A 29 THR HB . 34127 1 354 . 1 1 35 35 THR HG21 H 1 1.250 0.020 . 1 . . . A 29 THR HG21 . 34127 1 355 . 1 1 35 35 THR HG22 H 1 1.250 0.020 . 1 . . . A 29 THR HG22 . 34127 1 356 . 1 1 35 35 THR HG23 H 1 1.250 0.020 . 1 . . . A 29 THR HG23 . 34127 1 357 . 1 1 35 35 THR CA C 13 62.117 0.100 . 1 . . . A 29 THR CA . 34127 1 358 . 1 1 35 35 THR CB C 13 69.858 0.100 . 1 . . . A 29 THR CB . 34127 1 359 . 1 1 35 35 THR CG2 C 13 21.760 0.100 . 1 . . . A 29 THR CG2 . 34127 1 360 . 1 1 35 35 THR N N 15 114.830 0.100 . 1 . . . A 29 THR N . 34127 1 361 . 1 1 36 36 GLN H H 1 8.622 0.020 . 1 . . . A 30 GLN H . 34127 1 362 . 1 1 36 36 GLN HA H 1 4.369 0.020 . 1 . . . A 30 GLN HA . 34127 1 363 . 1 1 36 36 GLN HB2 H 1 2.103 0.020 . 2 . . . A 30 GLN HB2 . 34127 1 364 . 1 1 36 36 GLN HB3 H 1 2.002 0.020 . 2 . . . A 30 GLN HB3 . 34127 1 365 . 1 1 36 36 GLN HG2 H 1 2.373 0.020 . 2 . . . A 30 GLN HG2 . 34127 1 366 . 1 1 36 36 GLN HE21 H 1 7.693 0.020 . 2 . . . A 30 GLN HE21 . 34127 1 367 . 1 1 36 36 GLN HE22 H 1 7.014 0.020 . 2 . . . A 30 GLN HE22 . 34127 1 368 . 1 1 36 36 GLN CA C 13 55.787 0.100 . 1 . . . A 30 GLN CA . 34127 1 369 . 1 1 36 36 GLN CB C 13 29.661 0.100 . 1 . . . A 30 GLN CB . 34127 1 370 . 1 1 36 36 GLN CG C 13 33.696 0.100 . 1 . . . A 30 GLN CG . 34127 1 371 . 1 1 36 36 GLN N N 15 122.894 0.100 . 1 . . . A 30 GLN N . 34127 1 372 . 1 1 36 36 GLN NE2 N 15 112.378 0.100 . 1 . . . A 30 GLN NE2 . 34127 1 373 . 1 1 37 37 LYS H H 1 8.733 0.020 . 1 . . . A 31 LYS H . 34127 1 374 . 1 1 37 37 LYS HA H 1 4.405 0.020 . 1 . . . A 31 LYS HA . 34127 1 375 . 1 1 37 37 LYS HB2 H 1 1.754 0.020 . 2 . . . A 31 LYS HB2 . 34127 1 376 . 1 1 37 37 LYS HB3 H 1 1.887 0.020 . 2 . . . A 31 LYS HB3 . 34127 1 377 . 1 1 37 37 LYS HG2 H 1 1.438 0.020 . 2 . . . A 31 LYS HG2 . 34127 1 378 . 1 1 37 37 LYS HD2 H 1 1.494 0.020 . 2 . . . A 31 LYS HD2 . 34127 1 379 . 1 1 37 37 LYS HE2 H 1 3.004 0.020 . 2 . . . A 31 LYS HE2 . 34127 1 380 . 1 1 37 37 LYS CA C 13 56.375 0.100 . 1 . . . A 31 LYS CA . 34127 1 381 . 1 1 37 37 LYS CB C 13 33.080 0.100 . 1 . . . A 31 LYS CB . 34127 1 382 . 1 1 37 37 LYS CE C 13 42.090 0.100 . 1 . . . A 31 LYS CE . 34127 1 383 . 1 1 37 37 LYS N N 15 123.428 0.100 . 1 . . . A 31 LYS N . 34127 1 384 . 1 1 38 38 THR H H 1 8.453 0.020 . 1 . . . A 32 THR H . 34127 1 385 . 1 1 38 38 THR HA H 1 4.304 0.020 . 1 . . . A 32 THR HA . 34127 1 386 . 1 1 38 38 THR HB H 1 4.227 0.020 . 1 . . . A 32 THR HB . 34127 1 387 . 1 1 38 38 THR HG21 H 1 1.230 0.020 . 1 . . . A 32 THR HG21 . 34127 1 388 . 1 1 38 38 THR HG22 H 1 1.230 0.020 . 1 . . . A 32 THR HG22 . 34127 1 389 . 1 1 38 38 THR HG23 H 1 1.230 0.020 . 1 . . . A 32 THR HG23 . 34127 1 390 . 1 1 38 38 THR CA C 13 62.576 0.100 . 1 . . . A 32 THR CA . 34127 1 391 . 1 1 38 38 THR CB C 13 69.762 0.100 . 1 . . . A 32 THR CB . 34127 1 392 . 1 1 38 38 THR CG2 C 13 21.681 0.100 . 1 . . . A 32 THR CG2 . 34127 1 393 . 1 1 38 38 THR N N 15 115.395 0.100 . 1 . . . A 32 THR N . 34127 1 394 . 1 1 39 39 GLY H H 1 8.729 0.020 . 1 . . . A 33 GLY H . 34127 1 395 . 1 1 39 39 GLY HA2 H 1 4.007 0.020 . 1 . . . A 33 GLY HA2 . 34127 1 396 . 1 1 39 39 GLY HA3 H 1 4.007 0.020 . 1 . . . A 33 GLY HA3 . 34127 1 397 . 1 1 39 39 GLY CA C 13 45.446 0.100 . 1 . . . A 33 GLY CA . 34127 1 398 . 1 1 39 39 GLY N N 15 111.143 0.100 . 1 . . . A 33 GLY N . 34127 1 399 . 1 1 40 40 GLU H H 1 8.221 0.020 . 1 . . . A 34 GLU H . 34127 1 400 . 1 1 40 40 GLU HA H 1 4.395 0.020 . 1 . . . A 34 GLU HA . 34127 1 401 . 1 1 40 40 GLU HB2 H 1 2.091 0.020 . 2 . . . A 34 GLU HB2 . 34127 1 402 . 1 1 40 40 GLU HB3 H 1 1.944 0.020 . 2 . . . A 34 GLU HB3 . 34127 1 403 . 1 1 40 40 GLU HG2 H 1 2.304 0.020 . 2 . . . A 34 GLU HG2 . 34127 1 404 . 1 1 40 40 GLU CA C 13 56.191 0.100 . 1 . . . A 34 GLU CA . 34127 1 405 . 1 1 40 40 GLU CB C 13 31.025 0.100 . 1 . . . A 34 GLU CB . 34127 1 406 . 1 1 40 40 GLU CG C 13 36.250 0.100 . 1 . . . A 34 GLU CG . 34127 1 407 . 1 1 40 40 GLU N N 15 119.590 0.100 . 1 . . . A 34 GLU N . 34127 1 408 . 1 1 41 41 LEU H H 1 8.539 0.020 . 1 . . . A 35 LEU H . 34127 1 409 . 1 1 41 41 LEU HA H 1 4.510 0.020 . 1 . . . A 35 LEU HA . 34127 1 410 . 1 1 41 41 LEU HG H 1 1.654 0.020 . 1 . . . A 35 LEU HG . 34127 1 411 . 1 1 41 41 LEU HD11 H 1 0.570 0.020 . 2 . . . A 35 LEU HD11 . 34127 1 412 . 1 1 41 41 LEU HD12 H 1 0.570 0.020 . 2 . . . A 35 LEU HD12 . 34127 1 413 . 1 1 41 41 LEU HD13 H 1 0.570 0.020 . 2 . . . A 35 LEU HD13 . 34127 1 414 . 1 1 41 41 LEU HD21 H 1 0.546 0.020 . 2 . . . A 35 LEU HD21 . 34127 1 415 . 1 1 41 41 LEU HD22 H 1 0.546 0.020 . 2 . . . A 35 LEU HD22 . 34127 1 416 . 1 1 41 41 LEU HD23 H 1 0.546 0.020 . 2 . . . A 35 LEU HD23 . 34127 1 417 . 1 1 41 41 LEU CA C 13 54.648 0.100 . 1 . . . A 35 LEU CA . 34127 1 418 . 1 1 41 41 LEU CB C 13 42.971 0.100 . 1 . . . A 35 LEU CB . 34127 1 419 . 1 1 41 41 LEU CG C 13 27.321 0.100 . 1 . . . A 35 LEU CG . 34127 1 420 . 1 1 41 41 LEU CD1 C 13 22.712 0.100 . 2 . . . A 35 LEU CD1 . 34127 1 421 . 1 1 41 41 LEU CD2 C 13 25.946 0.100 . 2 . . . A 35 LEU CD2 . 34127 1 422 . 1 1 41 41 LEU N N 15 121.828 0.100 . 1 . . . A 35 LEU N . 34127 1 423 . 1 1 42 42 SER H H 1 9.194 0.020 . 1 . . . A 36 SER H . 34127 1 424 . 1 1 42 42 SER HA H 1 4.526 0.020 . 1 . . . A 36 SER HA . 34127 1 425 . 1 1 42 42 SER HB2 H 1 4.048 0.020 . 2 . . . A 36 SER HB2 . 34127 1 426 . 1 1 42 42 SER HB3 H 1 4.492 0.020 . 2 . . . A 36 SER HB3 . 34127 1 427 . 1 1 42 42 SER CA C 13 57.021 0.100 . 1 . . . A 36 SER CA . 34127 1 428 . 1 1 42 42 SER CB C 13 65.471 0.100 . 1 . . . A 36 SER CB . 34127 1 429 . 1 1 42 42 SER N N 15 117.377 0.100 . 1 . . . A 36 SER N . 34127 1 430 . 1 1 43 43 GLU H H 1 9.256 0.020 . 1 . . . A 37 GLU H . 34127 1 431 . 1 1 43 43 GLU HA H 1 3.943 0.020 . 1 . . . A 37 GLU HA . 34127 1 432 . 1 1 43 43 GLU HB2 H 1 2.088 0.020 . 2 . . . A 37 GLU HB2 . 34127 1 433 . 1 1 43 43 GLU HG2 H 1 2.445 0.020 . 2 . . . A 37 GLU HG2 . 34127 1 434 . 1 1 43 43 GLU HG3 H 1 2.391 0.020 . 2 . . . A 37 GLU HG3 . 34127 1 435 . 1 1 43 43 GLU CA C 13 60.077 0.100 . 1 . . . A 37 GLU CA . 34127 1 436 . 1 1 43 43 GLU CB C 13 29.023 0.100 . 1 . . . A 37 GLU CB . 34127 1 437 . 1 1 43 43 GLU CG C 13 36.263 0.100 . 1 . . . A 37 GLU CG . 34127 1 438 . 1 1 43 43 GLU N N 15 120.037 0.100 . 1 . . . A 37 GLU N . 34127 1 439 . 1 1 44 44 GLU H H 1 8.892 0.020 . 1 . . . A 38 GLU H . 34127 1 440 . 1 1 44 44 GLU HA H 1 4.070 0.020 . 1 . . . A 38 GLU HA . 34127 1 441 . 1 1 44 44 GLU HB2 H 1 1.948 0.020 . 2 . . . A 38 GLU HB2 . 34127 1 442 . 1 1 44 44 GLU HB3 H 1 2.098 0.020 . 2 . . . A 38 GLU HB3 . 34127 1 443 . 1 1 44 44 GLU HG2 H 1 2.355 0.020 . 2 . . . A 38 GLU HG2 . 34127 1 444 . 1 1 44 44 GLU CA C 13 60.041 0.100 . 1 . . . A 38 GLU CA . 34127 1 445 . 1 1 44 44 GLU CB C 13 29.256 0.100 . 1 . . . A 38 GLU CB . 34127 1 446 . 1 1 44 44 GLU CG C 13 36.618 0.100 . 1 . . . A 38 GLU CG . 34127 1 447 . 1 1 44 44 GLU N N 15 118.793 0.100 . 1 . . . A 38 GLU N . 34127 1 448 . 1 1 45 45 GLN H H 1 7.972 0.020 . 1 . . . A 39 GLN H . 34127 1 449 . 1 1 45 45 GLN HA H 1 3.895 0.020 . 1 . . . A 39 GLN HA . 34127 1 450 . 1 1 45 45 GLN HB2 H 1 2.559 0.020 . 2 . . . A 39 GLN HB2 . 34127 1 451 . 1 1 45 45 GLN HB3 H 1 2.329 0.020 . 2 . . . A 39 GLN HB3 . 34127 1 452 . 1 1 45 45 GLN HG2 H 1 2.631 0.020 . 2 . . . A 39 GLN HG2 . 34127 1 453 . 1 1 45 45 GLN HG3 H 1 2.306 0.020 . 2 . . . A 39 GLN HG3 . 34127 1 454 . 1 1 45 45 GLN HE21 H 1 7.798 0.020 . 2 . . . A 39 GLN HE21 . 34127 1 455 . 1 1 45 45 GLN HE22 H 1 6.903 0.020 . 2 . . . A 39 GLN HE22 . 34127 1 456 . 1 1 45 45 GLN CA C 13 59.018 0.100 . 1 . . . A 39 GLN CA . 34127 1 457 . 1 1 45 45 GLN CB C 13 29.863 0.100 . 1 . . . A 39 GLN CB . 34127 1 458 . 1 1 45 45 GLN CG C 13 35.221 0.100 . 1 . . . A 39 GLN CG . 34127 1 459 . 1 1 45 45 GLN N N 15 118.414 0.100 . 1 . . . A 39 GLN N . 34127 1 460 . 1 1 45 45 GLN NE2 N 15 111.527 0.100 . 1 . . . A 39 GLN NE2 . 34127 1 461 . 1 1 46 46 LYS H H 1 8.828 0.020 . 1 . . . A 40 LYS H . 34127 1 462 . 1 1 46 46 LYS HA H 1 3.769 0.020 . 1 . . . A 40 LYS HA . 34127 1 463 . 1 1 46 46 LYS HB2 H 1 1.933 0.020 . 2 . . . A 40 LYS HB2 . 34127 1 464 . 1 1 46 46 LYS HB3 H 1 1.839 0.020 . 2 . . . A 40 LYS HB3 . 34127 1 465 . 1 1 46 46 LYS HG2 H 1 1.624 0.020 . 2 . . . A 40 LYS HG2 . 34127 1 466 . 1 1 46 46 LYS HG3 H 1 1.311 0.020 . 2 . . . A 40 LYS HG3 . 34127 1 467 . 1 1 46 46 LYS HD2 H 1 1.583 0.020 . 2 . . . A 40 LYS HD2 . 34127 1 468 . 1 1 46 46 LYS HD3 H 1 1.673 0.020 . 2 . . . A 40 LYS HD3 . 34127 1 469 . 1 1 46 46 LYS HE2 H 1 2.925 0.020 . 2 . . . A 40 LYS HE2 . 34127 1 470 . 1 1 46 46 LYS CA C 13 60.638 0.100 . 1 . . . A 40 LYS CA . 34127 1 471 . 1 1 46 46 LYS CB C 13 32.489 0.100 . 1 . . . A 40 LYS CB . 34127 1 472 . 1 1 46 46 LYS CG C 13 27.063 0.100 . 1 . . . A 40 LYS CG . 34127 1 473 . 1 1 46 46 LYS CD C 13 30.070 0.100 . 1 . . . A 40 LYS CD . 34127 1 474 . 1 1 46 46 LYS CE C 13 41.902 0.100 . 1 . . . A 40 LYS CE . 34127 1 475 . 1 1 46 46 LYS N N 15 118.436 0.100 . 1 . . . A 40 LYS N . 34127 1 476 . 1 1 47 47 LYS H H 1 7.571 0.020 . 1 . . . A 41 LYS H . 34127 1 477 . 1 1 47 47 LYS HA H 1 4.144 0.020 . 1 . . . A 41 LYS HA . 34127 1 478 . 1 1 47 47 LYS HB2 H 1 1.920 0.020 . 2 . . . A 41 LYS HB2 . 34127 1 479 . 1 1 47 47 LYS HB3 H 1 2.048 0.020 . 2 . . . A 41 LYS HB3 . 34127 1 480 . 1 1 47 47 LYS HG2 H 1 1.444 0.020 . 2 . . . A 41 LYS HG2 . 34127 1 481 . 1 1 47 47 LYS HG3 H 1 1.546 0.020 . 2 . . . A 41 LYS HG3 . 34127 1 482 . 1 1 47 47 LYS HD2 H 1 1.669 0.020 . 2 . . . A 41 LYS HD2 . 34127 1 483 . 1 1 47 47 LYS HD3 H 1 1.775 0.020 . 2 . . . A 41 LYS HD3 . 34127 1 484 . 1 1 47 47 LYS HE2 H 1 3.018 0.020 . 2 . . . A 41 LYS HE2 . 34127 1 485 . 1 1 47 47 LYS HE3 H 1 2.924 0.020 . 2 . . . A 41 LYS HE3 . 34127 1 486 . 1 1 47 47 LYS CA C 13 59.273 0.100 . 1 . . . A 41 LYS CA . 34127 1 487 . 1 1 47 47 LYS CB C 13 32.146 0.100 . 1 . . . A 41 LYS CB . 34127 1 488 . 1 1 47 47 LYS CG C 13 25.054 0.100 . 1 . . . A 41 LYS CG . 34127 1 489 . 1 1 47 47 LYS CD C 13 28.960 0.100 . 1 . . . A 41 LYS CD . 34127 1 490 . 1 1 47 47 LYS CE C 13 42.318 0.100 . 1 . . . A 41 LYS CE . 34127 1 491 . 1 1 47 47 LYS N N 15 120.170 0.100 . 1 . . . A 41 LYS N . 34127 1 492 . 1 1 48 48 ILE H H 1 7.553 0.020 . 1 . . . A 42 ILE H . 34127 1 493 . 1 1 48 48 ILE HA H 1 3.863 0.020 . 1 . . . A 42 ILE HA . 34127 1 494 . 1 1 48 48 ILE HB H 1 1.998 0.020 . 1 . . . A 42 ILE HB . 34127 1 495 . 1 1 48 48 ILE HG12 H 1 1.119 0.020 . 2 . . . A 42 ILE HG12 . 34127 1 496 . 1 1 48 48 ILE HG13 H 1 1.843 0.020 . 2 . . . A 42 ILE HG13 . 34127 1 497 . 1 1 48 48 ILE HG21 H 1 0.790 0.020 . 1 . . . A 42 ILE HG21 . 34127 1 498 . 1 1 48 48 ILE HG22 H 1 0.790 0.020 . 1 . . . A 42 ILE HG22 . 34127 1 499 . 1 1 48 48 ILE HG23 H 1 0.790 0.020 . 1 . . . A 42 ILE HG23 . 34127 1 500 . 1 1 48 48 ILE HD11 H 1 0.903 0.020 . 1 . . . A 42 ILE HD11 . 34127 1 501 . 1 1 48 48 ILE HD12 H 1 0.903 0.020 . 1 . . . A 42 ILE HD12 . 34127 1 502 . 1 1 48 48 ILE HD13 H 1 0.903 0.020 . 1 . . . A 42 ILE HD13 . 34127 1 503 . 1 1 48 48 ILE CA C 13 65.212 0.100 . 1 . . . A 42 ILE CA . 34127 1 504 . 1 1 48 48 ILE CB C 13 37.869 0.100 . 1 . . . A 42 ILE CB . 34127 1 505 . 1 1 48 48 ILE CG1 C 13 29.330 0.100 . 1 . . . A 42 ILE CG1 . 34127 1 506 . 1 1 48 48 ILE CG2 C 13 18.263 0.100 . 1 . . . A 42 ILE CG2 . 34127 1 507 . 1 1 48 48 ILE CD1 C 13 13.703 0.100 . 1 . . . A 42 ILE CD1 . 34127 1 508 . 1 1 48 48 ILE N N 15 119.528 0.100 . 1 . . . A 42 ILE N . 34127 1 509 . 1 1 49 49 VAL H H 1 8.318 0.020 . 1 . . . A 43 VAL H . 34127 1 510 . 1 1 49 49 VAL HA H 1 3.611 0.020 . 1 . . . A 43 VAL HA . 34127 1 511 . 1 1 49 49 VAL HB H 1 2.103 0.020 . 1 . . . A 43 VAL HB . 34127 1 512 . 1 1 49 49 VAL HG11 H 1 0.955 0.020 . 2 . . . A 43 VAL HG11 . 34127 1 513 . 1 1 49 49 VAL HG12 H 1 0.955 0.020 . 2 . . . A 43 VAL HG12 . 34127 1 514 . 1 1 49 49 VAL HG13 H 1 0.955 0.020 . 2 . . . A 43 VAL HG13 . 34127 1 515 . 1 1 49 49 VAL HG21 H 1 1.026 0.020 . 2 . . . A 43 VAL HG21 . 34127 1 516 . 1 1 49 49 VAL HG22 H 1 1.026 0.020 . 2 . . . A 43 VAL HG22 . 34127 1 517 . 1 1 49 49 VAL HG23 H 1 1.026 0.020 . 2 . . . A 43 VAL HG23 . 34127 1 518 . 1 1 49 49 VAL CA C 13 67.468 0.100 . 1 . . . A 43 VAL CA . 34127 1 519 . 1 1 49 49 VAL CB C 13 31.598 0.100 . 1 . . . A 43 VAL CB . 34127 1 520 . 1 1 49 49 VAL CG1 C 13 24.187 0.100 . 2 . . . A 43 VAL CG1 . 34127 1 521 . 1 1 49 49 VAL CG2 C 13 21.123 0.100 . 2 . . . A 43 VAL CG2 . 34127 1 522 . 1 1 49 49 VAL N N 15 119.272 0.100 . 1 . . . A 43 VAL N . 34127 1 523 . 1 1 50 50 ALA H H 1 8.195 0.020 . 1 . . . A 44 ALA H . 34127 1 524 . 1 1 50 50 ALA HA H 1 4.074 0.020 . 1 . . . A 44 ALA HA . 34127 1 525 . 1 1 50 50 ALA HB1 H 1 1.558 0.020 . 1 . . . A 44 ALA HB1 . 34127 1 526 . 1 1 50 50 ALA HB2 H 1 1.558 0.020 . 1 . . . A 44 ALA HB2 . 34127 1 527 . 1 1 50 50 ALA HB3 H 1 1.558 0.020 . 1 . . . A 44 ALA HB3 . 34127 1 528 . 1 1 50 50 ALA CA C 13 55.689 0.100 . 1 . . . A 44 ALA CA . 34127 1 529 . 1 1 50 50 ALA CB C 13 17.889 0.100 . 1 . . . A 44 ALA CB . 34127 1 530 . 1 1 50 50 ALA N N 15 122.280 0.100 . 1 . . . A 44 ALA N . 34127 1 531 . 1 1 51 51 ASP H H 1 8.736 0.020 . 1 . . . A 45 ASP H . 34127 1 532 . 1 1 51 51 ASP HA H 1 4.436 0.020 . 1 . . . A 45 ASP HA . 34127 1 533 . 1 1 51 51 ASP HB2 H 1 2.761 0.020 . 2 . . . A 45 ASP HB2 . 34127 1 534 . 1 1 51 51 ASP HB3 H 1 2.863 0.020 . 2 . . . A 45 ASP HB3 . 34127 1 535 . 1 1 51 51 ASP CA C 13 57.081 0.100 . 1 . . . A 45 ASP CA . 34127 1 536 . 1 1 51 51 ASP CB C 13 39.807 0.100 . 1 . . . A 45 ASP CB . 34127 1 537 . 1 1 51 51 ASP N N 15 118.918 0.100 . 1 . . . A 45 ASP N . 34127 1 538 . 1 1 52 52 TYR H H 1 8.187 0.020 . 1 . . . A 46 TYR H . 34127 1 539 . 1 1 52 52 TYR HA H 1 4.659 0.020 . 1 . . . A 46 TYR HA . 34127 1 540 . 1 1 52 52 TYR HB2 H 1 3.317 0.020 . 2 . . . A 46 TYR HB2 . 34127 1 541 . 1 1 52 52 TYR HB3 H 1 3.252 0.020 . 2 . . . A 46 TYR HB3 . 34127 1 542 . 1 1 52 52 TYR HD1 H 1 7.028 0.020 . 1 . . . A 46 TYR HD1 . 34127 1 543 . 1 1 52 52 TYR HD2 H 1 7.028 0.020 . 1 . . . A 46 TYR HD2 . 34127 1 544 . 1 1 52 52 TYR HE1 H 1 6.691 0.020 . 1 . . . A 46 TYR HE1 . 34127 1 545 . 1 1 52 52 TYR HE2 H 1 6.691 0.020 . 1 . . . A 46 TYR HE2 . 34127 1 546 . 1 1 52 52 TYR CA C 13 58.555 0.100 . 1 . . . A 46 TYR CA . 34127 1 547 . 1 1 52 52 TYR CB C 13 37.967 0.100 . 1 . . . A 46 TYR CB . 34127 1 548 . 1 1 52 52 TYR CD1 C 13 132.360 0.100 . 3 . . . A 46 TYR CD1 . 34127 1 549 . 1 1 52 52 TYR CD2 C 13 132.360 0.100 . 3 . . . A 46 TYR CD2 . 34127 1 550 . 1 1 52 52 TYR CE1 C 13 117.897 0.100 . 3 . . . A 46 TYR CE1 . 34127 1 551 . 1 1 52 52 TYR CE2 C 13 117.897 0.100 . 3 . . . A 46 TYR CE2 . 34127 1 552 . 1 1 52 52 TYR N N 15 122.856 0.100 . 1 . . . A 46 TYR N . 34127 1 553 . 1 1 53 53 ILE H H 1 8.855 0.020 . 1 . . . A 47 ILE H . 34127 1 554 . 1 1 53 53 ILE HA H 1 3.130 0.020 . 1 . . . A 47 ILE HA . 34127 1 555 . 1 1 53 53 ILE HB H 1 1.920 0.020 . 1 . . . A 47 ILE HB . 34127 1 556 . 1 1 53 53 ILE HG12 H 1 1.199 0.020 . 2 . . . A 47 ILE HG12 . 34127 1 557 . 1 1 53 53 ILE HG13 H 1 1.553 0.020 . 2 . . . A 47 ILE HG13 . 34127 1 558 . 1 1 53 53 ILE HG21 H 1 0.921 0.020 . 1 . . . A 47 ILE HG21 . 34127 1 559 . 1 1 53 53 ILE HG22 H 1 0.921 0.020 . 1 . . . A 47 ILE HG22 . 34127 1 560 . 1 1 53 53 ILE HG23 H 1 0.921 0.020 . 1 . . . A 47 ILE HG23 . 34127 1 561 . 1 1 53 53 ILE HD11 H 1 0.841 0.020 . 1 . . . A 47 ILE HD11 . 34127 1 562 . 1 1 53 53 ILE HD12 H 1 0.841 0.020 . 1 . . . A 47 ILE HD12 . 34127 1 563 . 1 1 53 53 ILE HD13 H 1 0.841 0.020 . 1 . . . A 47 ILE HD13 . 34127 1 564 . 1 1 53 53 ILE CA C 13 66.180 0.100 . 1 . . . A 47 ILE CA . 34127 1 565 . 1 1 53 53 ILE CB C 13 38.147 0.100 . 1 . . . A 47 ILE CB . 34127 1 566 . 1 1 53 53 ILE CG1 C 13 27.756 0.100 . 1 . . . A 47 ILE CG1 . 34127 1 567 . 1 1 53 53 ILE CG2 C 13 14.727 0.100 . 1 . . . A 47 ILE CG2 . 34127 1 568 . 1 1 53 53 ILE CD1 C 13 17.532 0.100 . 1 . . . A 47 ILE CD1 . 34127 1 569 . 1 1 53 53 ILE N N 15 119.162 0.100 . 1 . . . A 47 ILE N . 34127 1 570 . 1 1 54 54 SER H H 1 8.229 0.020 . 1 . . . A 48 SER H . 34127 1 571 . 1 1 54 54 SER HA H 1 4.162 0.020 . 1 . . . A 48 SER HA . 34127 1 572 . 1 1 54 54 SER HB2 H 1 4.023 0.020 . 2 . . . A 48 SER HB2 . 34127 1 573 . 1 1 54 54 SER HB3 H 1 4.068 0.020 . 2 . . . A 48 SER HB3 . 34127 1 574 . 1 1 54 54 SER CA C 13 61.676 0.100 . 1 . . . A 48 SER CA . 34127 1 575 . 1 1 54 54 SER CB C 13 62.896 0.100 . 1 . . . A 48 SER CB . 34127 1 576 . 1 1 54 54 SER N N 15 114.642 0.100 . 1 . . . A 48 SER N . 34127 1 577 . 1 1 55 55 GLU H H 1 7.799 0.020 . 1 . . . A 49 GLU H . 34127 1 578 . 1 1 55 55 GLU HA H 1 4.151 0.020 . 1 . . . A 49 GLU HA . 34127 1 579 . 1 1 55 55 GLU HB2 H 1 2.363 0.020 . 2 . . . A 49 GLU HB2 . 34127 1 580 . 1 1 55 55 GLU HB3 H 1 2.484 0.020 . 2 . . . A 49 GLU HB3 . 34127 1 581 . 1 1 55 55 GLU HG2 H 1 2.556 0.020 . 2 . . . A 49 GLU HG2 . 34127 1 582 . 1 1 55 55 GLU HG3 H 1 2.177 0.020 . 2 . . . A 49 GLU HG3 . 34127 1 583 . 1 1 55 55 GLU CA C 13 59.255 0.100 . 1 . . . A 49 GLU CA . 34127 1 584 . 1 1 55 55 GLU CB C 13 31.229 0.100 . 1 . . . A 49 GLU CB . 34127 1 585 . 1 1 55 55 GLU CG C 13 35.645 0.100 . 1 . . . A 49 GLU CG . 34127 1 586 . 1 1 55 55 GLU N N 15 120.179 0.100 . 1 . . . A 49 GLU N . 34127 1 587 . 1 1 56 56 VAL H H 1 7.777 0.020 . 1 . . . A 50 VAL H . 34127 1 588 . 1 1 56 56 VAL HA H 1 4.652 0.020 . 1 . . . A 50 VAL HA . 34127 1 589 . 1 1 56 56 VAL HB H 1 2.248 0.020 . 1 . . . A 50 VAL HB . 34127 1 590 . 1 1 56 56 VAL HG11 H 1 0.481 0.020 . 2 . . . A 50 VAL HG11 . 34127 1 591 . 1 1 56 56 VAL HG12 H 1 0.481 0.020 . 2 . . . A 50 VAL HG12 . 34127 1 592 . 1 1 56 56 VAL HG13 H 1 0.481 0.020 . 2 . . . A 50 VAL HG13 . 34127 1 593 . 1 1 56 56 VAL HG21 H 1 0.992 0.020 . 2 . . . A 50 VAL HG21 . 34127 1 594 . 1 1 56 56 VAL HG22 H 1 0.992 0.020 . 2 . . . A 50 VAL HG22 . 34127 1 595 . 1 1 56 56 VAL HG23 H 1 0.992 0.020 . 2 . . . A 50 VAL HG23 . 34127 1 596 . 1 1 56 56 VAL CA C 13 61.579 0.100 . 1 . . . A 50 VAL CA . 34127 1 597 . 1 1 56 56 VAL CB C 13 34.105 0.100 . 1 . . . A 50 VAL CB . 34127 1 598 . 1 1 56 56 VAL CG1 C 13 17.464 0.100 . 2 . . . A 50 VAL CG1 . 34127 1 599 . 1 1 56 56 VAL CG2 C 13 22.069 0.100 . 2 . . . A 50 VAL CG2 . 34127 1 600 . 1 1 56 56 VAL N N 15 106.188 0.100 . 1 . . . A 50 VAL N . 34127 1 601 . 1 1 57 57 GLY H H 1 8.386 0.020 . 1 . . . A 51 GLY H . 34127 1 602 . 1 1 57 57 GLY HA2 H 1 3.745 0.020 . 1 . . . A 51 GLY HA2 . 34127 1 603 . 1 1 57 57 GLY HA3 H 1 4.519 0.020 . 2 . . . A 51 GLY HA3 . 34127 1 604 . 1 1 57 57 GLY CA C 13 44.331 0.100 . 1 . . . A 51 GLY CA . 34127 1 605 . 1 1 57 57 GLY N N 15 112.394 0.100 . 1 . . . A 51 GLY N . 34127 1 606 . 1 1 58 58 LEU H H 1 8.673 0.020 . 1 . . . A 52 LEU H . 34127 1 607 . 1 1 58 58 LEU HA H 1 3.794 0.020 . 1 . . . A 52 LEU HA . 34127 1 608 . 1 1 58 58 LEU HB2 H 1 1.598 0.020 . 2 . . . A 52 LEU HB2 . 34127 1 609 . 1 1 58 58 LEU HG H 1 1.592 0.020 . 1 . . . A 52 LEU HG . 34127 1 610 . 1 1 58 58 LEU HD11 H 1 0.893 0.020 . 2 . . . A 52 LEU HD11 . 34127 1 611 . 1 1 58 58 LEU HD12 H 1 0.893 0.020 . 2 . . . A 52 LEU HD12 . 34127 1 612 . 1 1 58 58 LEU HD13 H 1 0.893 0.020 . 2 . . . A 52 LEU HD13 . 34127 1 613 . 1 1 58 58 LEU HD21 H 1 0.913 0.020 . 2 . . . A 52 LEU HD21 . 34127 1 614 . 1 1 58 58 LEU HD22 H 1 0.913 0.020 . 2 . . . A 52 LEU HD22 . 34127 1 615 . 1 1 58 58 LEU HD23 H 1 0.913 0.020 . 2 . . . A 52 LEU HD23 . 34127 1 616 . 1 1 58 58 LEU CA C 13 58.000 0.100 . 1 . . . A 52 LEU CA . 34127 1 617 . 1 1 58 58 LEU CB C 13 42.543 0.100 . 1 . . . A 52 LEU CB . 34127 1 618 . 1 1 58 58 LEU CG C 13 26.901 0.100 . 1 . . . A 52 LEU CG . 34127 1 619 . 1 1 58 58 LEU CD1 C 13 24.944 0.100 . 2 . . . A 52 LEU CD1 . 34127 1 620 . 1 1 58 58 LEU CD2 C 13 24.084 0.100 . 2 . . . A 52 LEU CD2 . 34127 1 621 . 1 1 58 58 LEU N N 15 122.051 0.100 . 1 . . . A 52 LEU N . 34127 1 622 . 1 1 59 59 ASN H H 1 8.717 0.020 . 1 . . . A 53 ASN H . 34127 1 623 . 1 1 59 59 ASN HA H 1 4.622 0.020 . 1 . . . A 53 ASN HA . 34127 1 624 . 1 1 59 59 ASN HB2 H 1 2.707 0.020 . 2 . . . A 53 ASN HB2 . 34127 1 625 . 1 1 59 59 ASN HB3 H 1 2.836 0.020 . 2 . . . A 53 ASN HB3 . 34127 1 626 . 1 1 59 59 ASN HD21 H 1 7.689 0.020 . 2 . . . A 53 ASN HD21 . 34127 1 627 . 1 1 59 59 ASN HD22 H 1 7.026 0.020 . 2 . . . A 53 ASN HD22 . 34127 1 628 . 1 1 59 59 ASN CA C 13 54.250 0.100 . 1 . . . A 53 ASN CA . 34127 1 629 . 1 1 59 59 ASN CB C 13 37.995 0.100 . 1 . . . A 53 ASN CB . 34127 1 630 . 1 1 59 59 ASN N N 15 111.613 0.100 . 1 . . . A 53 ASN N . 34127 1 631 . 1 1 59 59 ASN ND2 N 15 112.392 0.100 . 1 . . . A 53 ASN ND2 . 34127 1 632 . 1 1 60 60 ASN H H 1 7.685 0.020 . 1 . . . A 54 ASN H . 34127 1 633 . 1 1 60 60 ASN HA H 1 5.044 0.020 . 1 . . . A 54 ASN HA . 34127 1 634 . 1 1 60 60 ASN HB2 H 1 2.865 0.020 . 2 . . . A 54 ASN HB2 . 34127 1 635 . 1 1 60 60 ASN HB3 H 1 2.490 0.020 . 2 . . . A 54 ASN HB3 . 34127 1 636 . 1 1 60 60 ASN HD21 H 1 7.064 0.020 . 2 . . . A 54 ASN HD21 . 34127 1 637 . 1 1 60 60 ASN HD22 H 1 7.937 0.020 . 2 . . . A 54 ASN HD22 . 34127 1 638 . 1 1 60 60 ASN CA C 13 52.282 0.100 . 1 . . . A 54 ASN CA . 34127 1 639 . 1 1 60 60 ASN CB C 13 39.561 0.100 . 1 . . . A 54 ASN CB . 34127 1 640 . 1 1 60 60 ASN N N 15 115.080 0.100 . 1 . . . A 54 ASN N . 34127 1 641 . 1 1 60 60 ASN ND2 N 15 114.386 0.100 . 1 . . . A 54 ASN ND2 . 34127 1 642 . 1 1 61 61 LEU H H 1 7.376 0.020 . 1 . . . A 55 LEU H . 34127 1 643 . 1 1 61 61 LEU HA H 1 3.782 0.020 . 1 . . . A 55 LEU HA . 34127 1 644 . 1 1 61 61 LEU HB2 H 1 1.885 0.020 . 2 . . . A 55 LEU HB2 . 34127 1 645 . 1 1 61 61 LEU HB3 H 1 1.107 0.020 . 2 . . . A 55 LEU HB3 . 34127 1 646 . 1 1 61 61 LEU HG H 1 1.972 0.020 . 1 . . . A 55 LEU HG . 34127 1 647 . 1 1 61 61 LEU HD11 H 1 0.319 0.020 . 2 . . . A 55 LEU HD11 . 34127 1 648 . 1 1 61 61 LEU HD12 H 1 0.319 0.020 . 2 . . . A 55 LEU HD12 . 34127 1 649 . 1 1 61 61 LEU HD13 H 1 0.319 0.020 . 2 . . . A 55 LEU HD13 . 34127 1 650 . 1 1 61 61 LEU HD21 H 1 0.888 0.020 . 2 . . . A 55 LEU HD21 . 34127 1 651 . 1 1 61 61 LEU HD22 H 1 0.888 0.020 . 2 . . . A 55 LEU HD22 . 34127 1 652 . 1 1 61 61 LEU HD23 H 1 0.888 0.020 . 2 . . . A 55 LEU HD23 . 34127 1 653 . 1 1 61 61 LEU CA C 13 56.604 0.100 . 1 . . . A 55 LEU CA . 34127 1 654 . 1 1 61 61 LEU CB C 13 42.622 0.100 . 1 . . . A 55 LEU CB . 34127 1 655 . 1 1 61 61 LEU CG C 13 26.186 0.100 . 1 . . . A 55 LEU CG . 34127 1 656 . 1 1 61 61 LEU CD1 C 13 22.944 0.100 . 2 . . . A 55 LEU CD1 . 34127 1 657 . 1 1 61 61 LEU CD2 C 13 26.178 0.100 . 2 . . . A 55 LEU CD2 . 34127 1 658 . 1 1 61 61 LEU N N 15 118.097 0.100 . 1 . . . A 55 LEU N . 34127 1 659 . 1 1 62 62 ASN H H 1 8.468 0.020 . 1 . . . A 56 ASN H . 34127 1 660 . 1 1 62 62 ASN HA H 1 5.037 0.020 . 1 . . . A 56 ASN HA . 34127 1 661 . 1 1 62 62 ASN HB2 H 1 2.921 0.020 . 2 . . . A 56 ASN HB2 . 34127 1 662 . 1 1 62 62 ASN HB3 H 1 2.834 0.020 . 2 . . . A 56 ASN HB3 . 34127 1 663 . 1 1 62 62 ASN HD21 H 1 8.101 0.020 . 2 . . . A 56 ASN HD21 . 34127 1 664 . 1 1 62 62 ASN HD22 H 1 7.370 0.020 . 2 . . . A 56 ASN HD22 . 34127 1 665 . 1 1 62 62 ASN CA C 13 52.466 0.100 . 1 . . . A 56 ASN CA . 34127 1 666 . 1 1 62 62 ASN CB C 13 42.062 0.100 . 1 . . . A 56 ASN CB . 34127 1 667 . 1 1 62 62 ASN N N 15 120.996 0.100 . 1 . . . A 56 ASN N . 34127 1 668 . 1 1 62 62 ASN ND2 N 15 114.775 0.100 . 1 . . . A 56 ASN ND2 . 34127 1 669 . 1 1 63 63 ALA H H 1 9.479 0.020 . 1 . . . A 57 ALA H . 34127 1 670 . 1 1 63 63 ALA HA H 1 3.860 0.020 . 1 . . . A 57 ALA HA . 34127 1 671 . 1 1 63 63 ALA HB1 H 1 1.498 0.020 . 1 . . . A 57 ALA HB1 . 34127 1 672 . 1 1 63 63 ALA HB2 H 1 1.498 0.020 . 1 . . . A 57 ALA HB2 . 34127 1 673 . 1 1 63 63 ALA HB3 H 1 1.498 0.020 . 1 . . . A 57 ALA HB3 . 34127 1 674 . 1 1 63 63 ALA CA C 13 56.062 0.100 . 1 . . . A 57 ALA CA . 34127 1 675 . 1 1 63 63 ALA CB C 13 19.058 0.100 . 1 . . . A 57 ALA CB . 34127 1 676 . 1 1 63 63 ALA N N 15 127.893 0.100 . 1 . . . A 57 ALA N . 34127 1 677 . 1 1 64 64 THR H H 1 8.150 0.020 . 1 . . . A 58 THR H . 34127 1 678 . 1 1 64 64 THR HA H 1 3.845 0.020 . 1 . . . A 58 THR HA . 34127 1 679 . 1 1 64 64 THR HB H 1 4.395 0.020 . 1 . . . A 58 THR HB . 34127 1 680 . 1 1 64 64 THR HG21 H 1 1.241 0.020 . 1 . . . A 58 THR HG21 . 34127 1 681 . 1 1 64 64 THR HG22 H 1 1.241 0.020 . 1 . . . A 58 THR HG22 . 34127 1 682 . 1 1 64 64 THR HG23 H 1 1.241 0.020 . 1 . . . A 58 THR HG23 . 34127 1 683 . 1 1 64 64 THR CA C 13 67.616 0.100 . 1 . . . A 58 THR CA . 34127 1 684 . 1 1 64 64 THR CB C 13 67.790 0.100 . 1 . . . A 58 THR CB . 34127 1 685 . 1 1 64 64 THR CG2 C 13 21.462 0.100 . 1 . . . A 58 THR CG2 . 34127 1 686 . 1 1 64 64 THR N N 15 115.690 0.100 . 1 . . . A 58 THR N . 34127 1 687 . 1 1 65 65 GLU H H 1 8.301 0.020 . 1 . . . A 59 GLU H . 34127 1 688 . 1 1 65 65 GLU HA H 1 4.100 0.020 . 1 . . . A 59 GLU HA . 34127 1 689 . 1 1 65 65 GLU HB2 H 1 2.175 0.020 . 2 . . . A 59 GLU HB2 . 34127 1 690 . 1 1 65 65 GLU HB3 H 1 2.104 0.020 . 2 . . . A 59 GLU HB3 . 34127 1 691 . 1 1 65 65 GLU HG2 H 1 2.387 0.020 . 2 . . . A 59 GLU HG2 . 34127 1 692 . 1 1 65 65 GLU CA C 13 58.756 0.100 . 1 . . . A 59 GLU CA . 34127 1 693 . 1 1 65 65 GLU CB C 13 28.765 0.100 . 1 . . . A 59 GLU CB . 34127 1 694 . 1 1 65 65 GLU N N 15 123.771 0.100 . 1 . . . A 59 GLU N . 34127 1 695 . 1 1 66 66 LEU H H 1 8.737 0.020 . 1 . . . A 60 LEU H . 34127 1 696 . 1 1 66 66 LEU HA H 1 3.693 0.020 . 1 . . . A 60 LEU HA . 34127 1 697 . 1 1 66 66 LEU HB2 H 1 1.877 0.020 . 2 . . . A 60 LEU HB2 . 34127 1 698 . 1 1 66 66 LEU HB3 H 1 1.556 0.020 . 2 . . . A 60 LEU HB3 . 34127 1 699 . 1 1 66 66 LEU HG H 1 1.528 0.020 . 1 . . . A 60 LEU HG . 34127 1 700 . 1 1 66 66 LEU HD11 H 1 0.966 0.020 . 2 . . . A 60 LEU HD11 . 34127 1 701 . 1 1 66 66 LEU HD12 H 1 0.966 0.020 . 2 . . . A 60 LEU HD12 . 34127 1 702 . 1 1 66 66 LEU HD13 H 1 0.966 0.020 . 2 . . . A 60 LEU HD13 . 34127 1 703 . 1 1 66 66 LEU HD21 H 1 0.963 0.020 . 2 . . . A 60 LEU HD21 . 34127 1 704 . 1 1 66 66 LEU HD22 H 1 0.963 0.020 . 2 . . . A 60 LEU HD22 . 34127 1 705 . 1 1 66 66 LEU HD23 H 1 0.963 0.020 . 2 . . . A 60 LEU HD23 . 34127 1 706 . 1 1 66 66 LEU CA C 13 58.133 0.100 . 1 . . . A 60 LEU CA . 34127 1 707 . 1 1 66 66 LEU CB C 13 42.219 0.100 . 1 . . . A 60 LEU CB . 34127 1 708 . 1 1 66 66 LEU CG C 13 26.499 0.100 . 1 . . . A 60 LEU CG . 34127 1 709 . 1 1 66 66 LEU CD1 C 13 24.055 0.100 . 2 . . . A 60 LEU CD1 . 34127 1 710 . 1 1 66 66 LEU CD2 C 13 26.530 0.100 . 2 . . . A 60 LEU CD2 . 34127 1 711 . 1 1 66 66 LEU N N 15 118.326 0.100 . 1 . . . A 60 LEU N . 34127 1 712 . 1 1 67 67 SER H H 1 8.291 0.020 . 1 . . . A 61 SER H . 34127 1 713 . 1 1 67 67 SER HA H 1 3.911 0.020 . 1 . . . A 61 SER HA . 34127 1 714 . 1 1 67 67 SER HB2 H 1 3.983 0.020 . 2 . . . A 61 SER HB2 . 34127 1 715 . 1 1 67 67 SER HB3 H 1 4.063 0.020 . 2 . . . A 61 SER HB3 . 34127 1 716 . 1 1 67 67 SER HG H 1 5.789 0.020 . 1 . . . A 61 SER HG . 34127 1 717 . 1 1 67 67 SER CA C 13 61.453 0.100 . 1 . . . A 61 SER CA . 34127 1 718 . 1 1 67 67 SER CB C 13 61.956 0.100 . 1 . . . A 61 SER CB . 34127 1 719 . 1 1 67 67 SER N N 15 112.980 0.100 . 1 . . . A 61 SER N . 34127 1 720 . 1 1 68 68 LYS H H 1 7.438 0.020 . 1 . . . A 62 LYS H . 34127 1 721 . 1 1 68 68 LYS HA H 1 4.140 0.020 . 1 . . . A 62 LYS HA . 34127 1 722 . 1 1 68 68 LYS HB2 H 1 1.943 0.020 . 2 . . . A 62 LYS HB2 . 34127 1 723 . 1 1 68 68 LYS HG2 H 1 1.352 0.020 . 2 . . . A 62 LYS HG2 . 34127 1 724 . 1 1 68 68 LYS HG3 H 1 1.582 0.020 . 2 . . . A 62 LYS HG3 . 34127 1 725 . 1 1 68 68 LYS HD2 H 1 1.650 0.020 . 2 . . . A 62 LYS HD2 . 34127 1 726 . 1 1 68 68 LYS HD3 H 1 1.577 0.020 . 2 . . . A 62 LYS HD3 . 34127 1 727 . 1 1 68 68 LYS HE2 H 1 2.894 0.020 . 2 . . . A 62 LYS HE2 . 34127 1 728 . 1 1 68 68 LYS CA C 13 59.019 0.100 . 1 . . . A 62 LYS CA . 34127 1 729 . 1 1 68 68 LYS CB C 13 32.483 0.100 . 1 . . . A 62 LYS CB . 34127 1 730 . 1 1 68 68 LYS CG C 13 24.845 0.100 . 1 . . . A 62 LYS CG . 34127 1 731 . 1 1 68 68 LYS CD C 13 29.505 0.100 . 1 . . . A 62 LYS CD . 34127 1 732 . 1 1 68 68 LYS CE C 13 42.162 0.100 . 1 . . . A 62 LYS CE . 34127 1 733 . 1 1 68 68 LYS N N 15 121.046 0.100 . 1 . . . A 62 LYS N . 34127 1 734 . 1 1 69 69 ARG H H 1 8.143 0.020 . 1 . . . A 63 ARG H . 34127 1 735 . 1 1 69 69 ARG HA H 1 4.059 0.020 . 1 . . . A 63 ARG HA . 34127 1 736 . 1 1 69 69 ARG HB2 H 1 1.805 0.020 . 2 . . . A 63 ARG HB2 . 34127 1 737 . 1 1 69 69 ARG HG2 H 1 1.579 0.020 . 2 . . . A 63 ARG HG2 . 34127 1 738 . 1 1 69 69 ARG HD2 H 1 3.167 0.020 . 2 . . . A 63 ARG HD2 . 34127 1 739 . 1 1 69 69 ARG CA C 13 59.193 0.100 . 1 . . . A 63 ARG CA . 34127 1 740 . 1 1 69 69 ARG CB C 13 30.276 0.100 . 1 . . . A 63 ARG CB . 34127 1 741 . 1 1 69 69 ARG CG C 13 27.020 0.100 . 1 . . . A 63 ARG CG . 34127 1 742 . 1 1 69 69 ARG CD C 13 43.308 0.100 . 1 . . . A 63 ARG CD . 34127 1 743 . 1 1 69 69 ARG N N 15 116.221 0.100 . 1 . . . A 63 ARG N . 34127 1 744 . 1 1 70 70 LEU H H 1 8.055 0.020 . 1 . . . A 64 LEU H . 34127 1 745 . 1 1 70 70 LEU HA H 1 4.385 0.020 . 1 . . . A 64 LEU HA . 34127 1 746 . 1 1 70 70 LEU HB2 H 1 1.483 0.020 . 2 . . . A 64 LEU HB2 . 34127 1 747 . 1 1 70 70 LEU HB3 H 1 1.668 0.020 . 2 . . . A 64 LEU HB3 . 34127 1 748 . 1 1 70 70 LEU HD11 H 1 0.830 0.020 . 2 . . . A 64 LEU HD11 . 34127 1 749 . 1 1 70 70 LEU HD12 H 1 0.830 0.020 . 2 . . . A 64 LEU HD12 . 34127 1 750 . 1 1 70 70 LEU HD13 H 1 0.830 0.020 . 2 . . . A 64 LEU HD13 . 34127 1 751 . 1 1 70 70 LEU HD21 H 1 0.612 0.020 . 2 . . . A 64 LEU HD21 . 34127 1 752 . 1 1 70 70 LEU HD22 H 1 0.612 0.020 . 2 . . . A 64 LEU HD22 . 34127 1 753 . 1 1 70 70 LEU HD23 H 1 0.612 0.020 . 2 . . . A 64 LEU HD23 . 34127 1 754 . 1 1 70 70 LEU CA C 13 54.403 0.100 . 1 . . . A 64 LEU CA . 34127 1 755 . 1 1 70 70 LEU CB C 13 44.099 0.100 . 1 . . . A 64 LEU CB . 34127 1 756 . 1 1 70 70 LEU CG C 13 26.74 0.100 . 1 . . . A 64 LEU CG . 34127 1 757 . 1 1 70 70 LEU CD1 C 13 23.912 0.100 . 2 . . . A 64 LEU CD1 . 34127 1 758 . 1 1 70 70 LEU CD2 C 13 25.734 0.100 . 2 . . . A 64 LEU CD2 . 34127 1 759 . 1 1 70 70 LEU N N 15 113.252 0.100 . 1 . . . A 64 LEU N . 34127 1 760 . 1 1 71 71 ASN H H 1 7.898 0.020 . 1 . . . A 65 ASN H . 34127 1 761 . 1 1 71 71 ASN HA H 1 4.446 0.020 . 1 . . . A 65 ASN HA . 34127 1 762 . 1 1 71 71 ASN HB2 H 1 2.678 0.020 . 2 . . . A 65 ASN HB2 . 34127 1 763 . 1 1 71 71 ASN HB3 H 1 3.239 0.020 . 2 . . . A 65 ASN HB3 . 34127 1 764 . 1 1 71 71 ASN HD21 H 1 6.903 0.020 . 2 . . . A 65 ASN HD21 . 34127 1 765 . 1 1 71 71 ASN HD22 H 1 7.651 0.020 . 2 . . . A 65 ASN HD22 . 34127 1 766 . 1 1 71 71 ASN CA C 13 54.485 0.100 . 1 . . . A 65 ASN CA . 34127 1 767 . 1 1 71 71 ASN CB C 13 37.067 0.100 . 1 . . . A 65 ASN CB . 34127 1 768 . 1 1 71 71 ASN N N 15 117.526 0.100 . 1 . . . A 65 ASN N . 34127 1 769 . 1 1 71 71 ASN ND2 N 15 111.659 0.100 . 1 . . . A 65 ASN ND2 . 34127 1 770 . 1 1 72 72 ILE H H 1 7.900 0.020 . 1 . . . A 66 ILE H . 34127 1 771 . 1 1 72 72 ILE HA H 1 4.940 0.020 . 1 . . . A 66 ILE HA . 34127 1 772 . 1 1 72 72 ILE HB H 1 2.029 0.020 . 1 . . . A 66 ILE HB . 34127 1 773 . 1 1 72 72 ILE HG12 H 1 1.479 0.020 . 2 . . . A 66 ILE HG12 . 34127 1 774 . 1 1 72 72 ILE HG13 H 1 0.947 0.020 . 2 . . . A 66 ILE HG13 . 34127 1 775 . 1 1 72 72 ILE HG21 H 1 0.801 0.020 . 1 . . . A 66 ILE HG21 . 34127 1 776 . 1 1 72 72 ILE HG22 H 1 0.801 0.020 . 1 . . . A 66 ILE HG22 . 34127 1 777 . 1 1 72 72 ILE HG23 H 1 0.801 0.020 . 1 . . . A 66 ILE HG23 . 34127 1 778 . 1 1 72 72 ILE HD11 H 1 0.609 0.020 . 1 . . . A 66 ILE HD11 . 34127 1 779 . 1 1 72 72 ILE HD12 H 1 0.609 0.020 . 1 . . . A 66 ILE HD12 . 34127 1 780 . 1 1 72 72 ILE HD13 H 1 0.609 0.020 . 1 . . . A 66 ILE HD13 . 34127 1 781 . 1 1 72 72 ILE CA C 13 59.082 0.100 . 1 . . . A 66 ILE CA . 34127 1 782 . 1 1 72 72 ILE CB C 13 41.973 0.100 . 1 . . . A 66 ILE CB . 34127 1 783 . 1 1 72 72 ILE CG1 C 13 24.381 0.100 . 1 . . . A 66 ILE CG1 . 34127 1 784 . 1 1 72 72 ILE CG2 C 13 16.512 0.100 . 1 . . . A 66 ILE CG2 . 34127 1 785 . 1 1 72 72 ILE CD1 C 13 13.615 0.100 . 1 . . . A 66 ILE CD1 . 34127 1 786 . 1 1 72 72 ILE N N 15 109.470 0.100 . 1 . . . A 66 ILE N . 34127 1 787 . 1 1 73 73 THR H H 1 8.052 0.020 . 1 . . . A 67 THR H . 34127 1 788 . 1 1 73 73 THR HA H 1 4.393 0.020 . 1 . . . A 67 THR HA . 34127 1 789 . 1 1 73 73 THR HB H 1 4.756 0.020 . 1 . . . A 67 THR HB . 34127 1 790 . 1 1 73 73 THR HG21 H 1 1.379 0.020 . 1 . . . A 67 THR HG21 . 34127 1 791 . 1 1 73 73 THR HG22 H 1 1.379 0.020 . 1 . . . A 67 THR HG22 . 34127 1 792 . 1 1 73 73 THR HG23 H 1 1.379 0.020 . 1 . . . A 67 THR HG23 . 34127 1 793 . 1 1 73 73 THR CA C 13 61.301 0.100 . 1 . . . A 67 THR CA . 34127 1 794 . 1 1 73 73 THR CB C 13 70.392 0.100 . 1 . . . A 67 THR CB . 34127 1 795 . 1 1 73 73 THR CG2 C 13 22.356 0.100 . 1 . . . A 67 THR CG2 . 34127 1 796 . 1 1 73 73 THR N N 15 109.762 0.100 . 1 . . . A 67 THR N . 34127 1 797 . 1 1 74 74 VAL H H 1 8.962 0.020 . 1 . . . A 68 VAL H . 34127 1 798 . 1 1 74 74 VAL HA H 1 3.668 0.020 . 1 . . . A 68 VAL HA . 34127 1 799 . 1 1 74 74 VAL HB H 1 2.084 0.020 . 1 . . . A 68 VAL HB . 34127 1 800 . 1 1 74 74 VAL HG11 H 1 1.123 0.020 . 2 . . . A 68 VAL HG11 . 34127 1 801 . 1 1 74 74 VAL HG12 H 1 1.123 0.020 . 2 . . . A 68 VAL HG12 . 34127 1 802 . 1 1 74 74 VAL HG13 H 1 1.123 0.020 . 2 . . . A 68 VAL HG13 . 34127 1 803 . 1 1 74 74 VAL HG21 H 1 0.935 0.020 . 2 . . . A 68 VAL HG21 . 34127 1 804 . 1 1 74 74 VAL HG22 H 1 0.935 0.020 . 2 . . . A 68 VAL HG22 . 34127 1 805 . 1 1 74 74 VAL HG23 H 1 0.935 0.020 . 2 . . . A 68 VAL HG23 . 34127 1 806 . 1 1 74 74 VAL CA C 13 66.965 0.100 . 1 . . . A 68 VAL CA . 34127 1 807 . 1 1 74 74 VAL CB C 13 31.565 0.100 . 1 . . . A 68 VAL CB . 34127 1 808 . 1 1 74 74 VAL CG1 C 13 23.388 0.100 . 2 . . . A 68 VAL CG1 . 34127 1 809 . 1 1 74 74 VAL CG2 C 13 21.361 0.100 . 2 . . . A 68 VAL CG2 . 34127 1 810 . 1 1 74 74 VAL N N 15 121.174 0.100 . 1 . . . A 68 VAL N . 34127 1 811 . 1 1 75 75 ASP H H 1 8.442 0.020 . 1 . . . A 69 ASP H . 34127 1 812 . 1 1 75 75 ASP HA H 1 4.338 0.020 . 1 . . . A 69 ASP HA . 34127 1 813 . 1 1 75 75 ASP HB2 H 1 2.603 0.020 . 2 . . . A 69 ASP HB2 . 34127 1 814 . 1 1 75 75 ASP HB3 H 1 2.568 0.020 . 2 . . . A 69 ASP HB3 . 34127 1 815 . 1 1 75 75 ASP CA C 13 57.844 0.100 . 1 . . . A 69 ASP CA . 34127 1 816 . 1 1 75 75 ASP CB C 13 40.638 0.100 . 1 . . . A 69 ASP CB . 34127 1 817 . 1 1 75 75 ASP N N 15 117.351 0.100 . 1 . . . A 69 ASP N . 34127 1 818 . 1 1 76 76 LYS H H 1 7.809 0.020 . 1 . . . A 70 LYS H . 34127 1 819 . 1 1 76 76 LYS HA H 1 4.086 0.020 . 1 . . . A 70 LYS HA . 34127 1 820 . 1 1 76 76 LYS HB2 H 1 1.741 0.020 . 2 . . . A 70 LYS HB2 . 34127 1 821 . 1 1 76 76 LYS HB3 H 1 1.895 0.020 . 2 . . . A 70 LYS HB3 . 34127 1 822 . 1 1 76 76 LYS HG2 H 1 1.472 0.020 . 2 . . . A 70 LYS HG2 . 34127 1 823 . 1 1 76 76 LYS HG3 H 1 1.364 0.020 . 2 . . . A 70 LYS HG3 . 34127 1 824 . 1 1 76 76 LYS HD2 H 1 1.697 0.020 . 2 . . . A 70 LYS HD2 . 34127 1 825 . 1 1 76 76 LYS HE2 H 1 2.950 0.020 . 2 . . . A 70 LYS HE2 . 34127 1 826 . 1 1 76 76 LYS CA C 13 58.913 0.100 . 1 . . . A 70 LYS CA . 34127 1 827 . 1 1 76 76 LYS CB C 13 32.105 0.100 . 1 . . . A 70 LYS CB . 34127 1 828 . 1 1 76 76 LYS CG C 13 25.620 0.100 . 1 . . . A 70 LYS CG . 34127 1 829 . 1 1 76 76 LYS CD C 13 28.914 0.100 . 1 . . . A 70 LYS CD . 34127 1 830 . 1 1 76 76 LYS CE C 13 42.162 0.100 . 1 . . . A 70 LYS CE . 34127 1 831 . 1 1 76 76 LYS N N 15 119.787 0.100 . 1 . . . A 70 LYS N . 34127 1 832 . 1 1 77 77 ALA H H 1 8.366 0.020 . 1 . . . A 71 ALA H . 34127 1 833 . 1 1 77 77 ALA HA H 1 3.972 0.020 . 1 . . . A 71 ALA HA . 34127 1 834 . 1 1 77 77 ALA HB1 H 1 1.548 0.020 . 1 . . . A 71 ALA HB1 . 34127 1 835 . 1 1 77 77 ALA HB2 H 1 1.548 0.020 . 1 . . . A 71 ALA HB2 . 34127 1 836 . 1 1 77 77 ALA HB3 H 1 1.548 0.020 . 1 . . . A 71 ALA HB3 . 34127 1 837 . 1 1 77 77 ALA CA C 13 55.494 0.100 . 1 . . . A 71 ALA CA . 34127 1 838 . 1 1 77 77 ALA CB C 13 19.321 0.100 . 1 . . . A 71 ALA CB . 34127 1 839 . 1 1 77 77 ALA N N 15 122.461 0.100 . 1 . . . A 71 ALA N . 34127 1 840 . 1 1 78 78 LYS H H 1 8.874 0.020 . 1 . . . A 72 LYS H . 34127 1 841 . 1 1 78 78 LYS HA H 1 3.897 0.020 . 1 . . . A 72 LYS HA . 34127 1 842 . 1 1 78 78 LYS HB2 H 1 2.074 0.020 . 2 . . . A 72 LYS HB2 . 34127 1 843 . 1 1 78 78 LYS HB3 H 1 1.891 0.020 . 2 . . . A 72 LYS HB3 . 34127 1 844 . 1 1 78 78 LYS HG2 H 1 1.371 0.020 . 2 . . . A 72 LYS HG2 . 34127 1 845 . 1 1 78 78 LYS HD2 H 1 1.699 0.020 . 2 . . . A 72 LYS HD2 . 34127 1 846 . 1 1 78 78 LYS HE2 H 1 2.952 0.020 . 2 . . . A 72 LYS HE2 . 34127 1 847 . 1 1 78 78 LYS CA C 13 60.620 0.100 . 1 . . . A 72 LYS CA . 34127 1 848 . 1 1 78 78 LYS CB C 13 32.614 0.100 . 1 . . . A 72 LYS CB . 34127 1 849 . 1 1 78 78 LYS CG C 13 26.711 0.100 . 1 . . . A 72 LYS CG . 34127 1 850 . 1 1 78 78 LYS CD C 13 29.933 0.100 . 1 . . . A 72 LYS CD . 34127 1 851 . 1 1 78 78 LYS CE C 13 41.907 0.100 . 1 . . . A 72 LYS CE . 34127 1 852 . 1 1 78 78 LYS N N 15 117.156 0.100 . 1 . . . A 72 LYS N . 34127 1 853 . 1 1 79 79 THR H H 1 7.934 0.020 . 1 . . . A 73 THR H . 34127 1 854 . 1 1 79 79 THR HA H 1 3.878 0.020 . 1 . . . A 73 THR HA . 34127 1 855 . 1 1 79 79 THR HB H 1 4.236 0.020 . 1 . . . A 73 THR HB . 34127 1 856 . 1 1 79 79 THR HG21 H 1 1.194 0.020 . 1 . . . A 73 THR HG21 . 34127 1 857 . 1 1 79 79 THR HG22 H 1 1.194 0.020 . 1 . . . A 73 THR HG22 . 34127 1 858 . 1 1 79 79 THR HG23 H 1 1.194 0.020 . 1 . . . A 73 THR HG23 . 34127 1 859 . 1 1 79 79 THR CA C 13 66.764 0.100 . 1 . . . A 73 THR CA . 34127 1 860 . 1 1 79 79 THR CB C 13 68.617 0.100 . 1 . . . A 73 THR CB . 34127 1 861 . 1 1 79 79 THR CG2 C 13 22.290 0.100 . 1 . . . A 73 THR CG2 . 34127 1 862 . 1 1 79 79 THR N N 15 116.952 0.100 . 1 . . . A 73 THR N . 34127 1 863 . 1 1 80 80 TYR H H 1 8.069 0.020 . 1 . . . A 74 TYR H . 34127 1 864 . 1 1 80 80 TYR HA H 1 4.221 0.020 . 1 . . . A 74 TYR HA . 34127 1 865 . 1 1 80 80 TYR HB2 H 1 2.980 0.020 . 2 . . . A 74 TYR HB2 . 34127 1 866 . 1 1 80 80 TYR HB3 H 1 3.170 0.020 . 2 . . . A 74 TYR HB3 . 34127 1 867 . 1 1 80 80 TYR HD1 H 1 6.816 0.020 . 1 . . . A 74 TYR HD1 . 34127 1 868 . 1 1 80 80 TYR HD2 H 1 6.816 0.020 . 1 . . . A 74 TYR HD2 . 34127 1 869 . 1 1 80 80 TYR HE1 H 1 6.623 0.020 . 1 . . . A 74 TYR HE1 . 34127 1 870 . 1 1 80 80 TYR HE2 H 1 6.623 0.020 . 1 . . . A 74 TYR HE2 . 34127 1 871 . 1 1 80 80 TYR CA C 13 61.512 0.100 . 1 . . . A 74 TYR CA . 34127 1 872 . 1 1 80 80 TYR CB C 13 37.557 0.100 . 1 . . . A 74 TYR CB . 34127 1 873 . 1 1 80 80 TYR CD1 C 13 132.325 0.100 . 3 . . . A 74 TYR CD1 . 34127 1 874 . 1 1 80 80 TYR CD2 C 13 132.325 0.100 . 3 . . . A 74 TYR CD2 . 34127 1 875 . 1 1 80 80 TYR CE1 C 13 118.093 0.100 . 3 . . . A 74 TYR CE1 . 34127 1 876 . 1 1 80 80 TYR CE2 C 13 118.093 0.100 . 3 . . . A 74 TYR CE2 . 34127 1 877 . 1 1 80 80 TYR N N 15 121.408 0.100 . 1 . . . A 74 TYR N . 34127 1 878 . 1 1 81 81 ILE H H 1 8.311 0.020 . 1 . . . A 75 ILE H . 34127 1 879 . 1 1 81 81 ILE HA H 1 3.497 0.020 . 1 . . . A 75 ILE HA . 34127 1 880 . 1 1 81 81 ILE HB H 1 1.905 0.020 . 1 . . . A 75 ILE HB . 34127 1 881 . 1 1 81 81 ILE HG12 H 1 1.941 0.020 . 2 . . . A 75 ILE HG12 . 34127 1 882 . 1 1 81 81 ILE HG13 H 1 0.871 0.020 . 2 . . . A 75 ILE HG13 . 34127 1 883 . 1 1 81 81 ILE HG21 H 1 0.951 0.020 . 1 . . . A 75 ILE HG21 . 34127 1 884 . 1 1 81 81 ILE HG22 H 1 0.951 0.020 . 1 . . . A 75 ILE HG22 . 34127 1 885 . 1 1 81 81 ILE HG23 H 1 0.951 0.020 . 1 . . . A 75 ILE HG23 . 34127 1 886 . 1 1 81 81 ILE HD11 H 1 0.745 0.020 . 1 . . . A 75 ILE HD11 . 34127 1 887 . 1 1 81 81 ILE HD12 H 1 0.745 0.020 . 1 . . . A 75 ILE HD12 . 34127 1 888 . 1 1 81 81 ILE HD13 H 1 0.745 0.020 . 1 . . . A 75 ILE HD13 . 34127 1 889 . 1 1 81 81 ILE CA C 13 65.630 0.100 . 1 . . . A 75 ILE CA . 34127 1 890 . 1 1 81 81 ILE CB C 13 38.406 0.100 . 1 . . . A 75 ILE CB . 34127 1 891 . 1 1 81 81 ILE CG1 C 13 24.44 0.100 . 1 . . . A 75 ILE CG1 . 34127 1 892 . 1 1 81 81 ILE CG2 C 13 17.132 0.100 . 1 . . . A 75 ILE CG2 . 34127 1 893 . 1 1 81 81 ILE CD1 C 13 13.147 0.100 . 1 . . . A 75 ILE CD1 . 34127 1 894 . 1 1 81 81 ILE N N 15 119.498 0.100 . 1 . . . A 75 ILE N . 34127 1 895 . 1 1 82 82 LYS H H 1 8.218 0.020 . 1 . . . A 76 LYS H . 34127 1 896 . 1 1 82 82 LYS HA H 1 4.090 0.020 . 1 . . . A 76 LYS HA . 34127 1 897 . 1 1 82 82 LYS HB2 H 1 1.923 0.020 . 2 . . . A 76 LYS HB2 . 34127 1 898 . 1 1 82 82 LYS HG2 H 1 1.414 0.020 . 2 . . . A 76 LYS HG2 . 34127 1 899 . 1 1 82 82 LYS HG3 H 1 1.535 0.020 . 2 . . . A 76 LYS HG3 . 34127 1 900 . 1 1 82 82 LYS HD2 H 1 1.696 0.020 . 2 . . . A 76 LYS HD2 . 34127 1 901 . 1 1 82 82 LYS HE2 H 1 2.967 0.020 . 2 . . . A 76 LYS HE2 . 34127 1 902 . 1 1 82 82 LYS CA C 13 59.334 0.100 . 1 . . . A 76 LYS CA . 34127 1 903 . 1 1 82 82 LYS CB C 13 32.328 0.100 . 1 . . . A 76 LYS CB . 34127 1 904 . 1 1 82 82 LYS CG C 13 25.024 0.100 . 1 . . . A 76 LYS CG . 34127 1 905 . 1 1 82 82 LYS CD C 13 29.106 0.100 . 1 . . . A 76 LYS CD . 34127 1 906 . 1 1 82 82 LYS CE C 13 42.084 0.100 . 1 . . . A 76 LYS CE . 34127 1 907 . 1 1 82 82 LYS N N 15 120.749 0.100 . 1 . . . A 76 LYS N . 34127 1 908 . 1 1 83 83 ASN H H 1 8.187 0.020 . 1 . . . A 77 ASN H . 34127 1 909 . 1 1 83 83 ASN HA H 1 4.583 0.020 . 1 . . . A 77 ASN HA . 34127 1 910 . 1 1 83 83 ASN HB2 H 1 2.793 0.020 . 2 . . . A 77 ASN HB2 . 34127 1 911 . 1 1 83 83 ASN HD21 H 1 7.145 0.020 . 2 . . . A 77 ASN HD21 . 34127 1 912 . 1 1 83 83 ASN HD22 H 1 7.654 0.020 . 2 . . . A 77 ASN HD22 . 34127 1 913 . 1 1 83 83 ASN CA C 13 54.874 0.100 . 1 . . . A 77 ASN CA . 34127 1 914 . 1 1 83 83 ASN CB C 13 38.377 0.100 . 1 . . . A 77 ASN CB . 34127 1 915 . 1 1 83 83 ASN N N 15 116.153 0.100 . 1 . . . A 77 ASN N . 34127 1 916 . 1 1 83 83 ASN ND2 N 15 112.679 0.100 . 1 . . . A 77 ASN ND2 . 34127 1 917 . 1 1 84 84 SER H H 1 8.147 0.020 . 1 . . . A 78 SER H . 34127 1 918 . 1 1 84 84 SER HA H 1 4.143 0.020 . 1 . . . A 78 SER HA . 34127 1 919 . 1 1 84 84 SER HB2 H 1 3.762 0.020 . 2 . . . A 78 SER HB2 . 34127 1 920 . 1 1 84 84 SER CA C 13 60.851 0.100 . 1 . . . A 78 SER CA . 34127 1 921 . 1 1 84 84 SER CB C 13 63.112 0.100 . 1 . . . A 78 SER CB . 34127 1 922 . 1 1 84 84 SER N N 15 115.687 0.100 . 1 . . . A 78 SER N . 34127 1 923 . 1 1 85 85 ASN H H 1 8.228 0.020 . 1 . . . A 79 ASN H . 34127 1 924 . 1 1 85 85 ASN HA H 1 4.625 0.020 . 1 . . . A 79 ASN HA . 34127 1 925 . 1 1 85 85 ASN HB2 H 1 2.847 0.020 . 2 . . . A 79 ASN HB2 . 34127 1 926 . 1 1 85 85 ASN HD21 H 1 7.010 0.020 . 2 . . . A 79 ASN HD21 . 34127 1 927 . 1 1 85 85 ASN HD22 H 1 7.648 0.020 . 2 . . . A 79 ASN HD22 . 34127 1 928 . 1 1 85 85 ASN CA C 13 54.351 0.100 . 1 . . . A 79 ASN CA . 34127 1 929 . 1 1 85 85 ASN N N 15 118.879 0.100 . 1 . . . A 79 ASN N . 34127 1 930 . 1 1 85 85 ASN ND2 N 15 111.601 0.100 . 1 . . . A 79 ASN ND2 . 34127 1 931 . 1 1 86 86 ARG H H 1 8.014 0.020 . 1 . . . A 80 ARG H . 34127 1 932 . 1 1 86 86 ARG HA H 1 4.249 0.020 . 1 . . . A 80 ARG HA . 34127 1 933 . 1 1 86 86 ARG HB2 H 1 1.946 0.020 . 2 . . . A 80 ARG HB2 . 34127 1 934 . 1 1 86 86 ARG HB3 H 1 1.855 0.020 . 2 . . . A 80 ARG HB3 . 34127 1 935 . 1 1 86 86 ARG HG2 H 1 1.627 0.020 . 2 . . . A 80 ARG HG2 . 34127 1 936 . 1 1 86 86 ARG HG3 H 1 1.700 0.020 . 2 . . . A 80 ARG HG3 . 34127 1 937 . 1 1 86 86 ARG HD2 H 1 3.176 0.020 . 2 . . . A 80 ARG HD2 . 34127 1 938 . 1 1 86 86 ARG CA C 13 57.407 0.100 . 1 . . . A 80 ARG CA . 34127 1 939 . 1 1 86 86 ARG CB C 13 30.449 0.100 . 1 . . . A 80 ARG CB . 34127 1 940 . 1 1 86 86 ARG CG C 13 27.155 0.100 . 1 . . . A 80 ARG CG . 34127 1 941 . 1 1 86 86 ARG CD C 13 43.359 0.100 . 1 . . . A 80 ARG CD . 34127 1 942 . 1 1 86 86 ARG N N 15 119.408 0.100 . 1 . . . A 80 ARG N . 34127 1 943 . 1 1 87 87 MET H H 1 8.246 0.020 . 1 . . . A 81 MET H . 34127 1 944 . 1 1 87 87 MET HA H 1 4.402 0.020 . 1 . . . A 81 MET HA . 34127 1 945 . 1 1 87 87 MET HB2 H 1 2.087 0.020 . 2 . . . A 81 MET HB2 . 34127 1 946 . 1 1 87 87 MET HG2 H 1 2.545 0.020 . 2 . . . A 81 MET HG2 . 34127 1 947 . 1 1 87 87 MET HG3 H 1 2.645 0.020 . 2 . . . A 81 MET HG3 . 34127 1 948 . 1 1 87 87 MET CA C 13 56.364 0.100 . 1 . . . A 81 MET CA . 34127 1 949 . 1 1 87 87 MET CB C 13 32.447 0.100 . 1 . . . A 81 MET CB . 34127 1 950 . 1 1 87 87 MET CG C 13 32.146 0.100 . 1 . . . A 81 MET CG . 34127 1 951 . 1 1 87 87 MET N N 15 118.491 0.100 . 1 . . . A 81 MET N . 34127 1 952 . 1 1 88 88 GLY H H 1 8.358 0.020 . 1 . . . A 82 GLY H . 34127 1 953 . 1 1 88 88 GLY HA2 H 1 3.955 0.020 . 1 . . . A 82 GLY HA2 . 34127 1 954 . 1 1 88 88 GLY HA3 H 1 3.955 0.020 . 1 . . . A 82 GLY HA3 . 34127 1 955 . 1 1 88 88 GLY CA C 13 45.607 0.100 . 1 . . . A 82 GLY CA . 34127 1 956 . 1 1 88 88 GLY N N 15 108.048 0.100 . 1 . . . A 82 GLY N . 34127 1 957 . 1 1 89 89 ARG H H 1 8.188 0.020 . 1 . . . A 83 ARG H . 34127 1 958 . 1 1 89 89 ARG HA H 1 4.403 0.020 . 1 . . . A 83 ARG HA . 34127 1 959 . 1 1 89 89 ARG HB2 H 1 1.808 0.020 . 2 . . . A 83 ARG HB2 . 34127 1 960 . 1 1 89 89 ARG HB3 H 1 1.920 0.020 . 2 . . . A 83 ARG HB3 . 34127 1 961 . 1 1 89 89 ARG HG2 H 1 1.691 0.020 . 2 . . . A 83 ARG HG2 . 34127 1 962 . 1 1 89 89 ARG HG3 H 1 1.621 0.020 . 2 . . . A 83 ARG HG3 . 34127 1 963 . 1 1 89 89 ARG HD2 H 1 3.184 0.020 . 2 . . . A 83 ARG HD2 . 34127 1 964 . 1 1 89 89 ARG CA C 13 56.405 0.100 . 1 . . . A 83 ARG CA . 34127 1 965 . 1 1 89 89 ARG CB C 13 30.830 0.100 . 1 . . . A 83 ARG CB . 34127 1 966 . 1 1 89 89 ARG CG C 13 27.171 0.100 . 1 . . . A 83 ARG CG . 34127 1 967 . 1 1 89 89 ARG CD C 13 43.334 0.100 . 1 . . . A 83 ARG CD . 34127 1 968 . 1 1 89 89 ARG N N 15 119.389 0.100 . 1 . . . A 83 ARG N . 34127 1 969 . 1 1 90 90 THR H H 1 8.282 0.020 . 1 . . . A 84 THR H . 34127 1 970 . 1 1 90 90 THR HA H 1 4.339 0.020 . 1 . . . A 84 THR HA . 34127 1 971 . 1 1 90 90 THR HB H 1 4.251 0.020 . 1 . . . A 84 THR HB . 34127 1 972 . 1 1 90 90 THR HG21 H 1 1.198 0.020 . 1 . . . A 84 THR HG21 . 34127 1 973 . 1 1 90 90 THR HG22 H 1 1.198 0.020 . 1 . . . A 84 THR HG22 . 34127 1 974 . 1 1 90 90 THR HG23 H 1 1.198 0.020 . 1 . . . A 84 THR HG23 . 34127 1 975 . 1 1 90 90 THR CA C 13 61.972 0.100 . 1 . . . A 84 THR CA . 34127 1 976 . 1 1 90 90 THR CB C 13 69.847 0.100 . 1 . . . A 84 THR CB . 34127 1 977 . 1 1 90 90 THR CG2 C 13 21.612 0.100 . 1 . . . A 84 THR CG2 . 34127 1 978 . 1 1 90 90 THR N N 15 113.529 0.100 . 1 . . . A 84 THR N . 34127 1 979 . 1 1 91 91 ASN H H 1 8.524 0.020 . 1 . . . A 85 ASN H . 34127 1 980 . 1 1 91 91 ASN HA H 1 4.653 0.020 . 1 . . . A 85 ASN HA . 34127 1 981 . 1 1 91 91 ASN HB2 H 1 2.701 0.020 . 2 . . . A 85 ASN HB2 . 34127 1 982 . 1 1 91 91 ASN HB3 H 1 2.767 0.020 . 2 . . . A 85 ASN HB3 . 34127 1 983 . 1 1 91 91 ASN HD21 H 1 7.712 0.020 . 2 . . . A 85 ASN HD21 . 34127 1 984 . 1 1 91 91 ASN HD22 H 1 7.020 0.020 . 2 . . . A 85 ASN HD22 . 34127 1 985 . 1 1 91 91 ASN CA C 13 53.421 0.100 . 1 . . . A 85 ASN CA . 34127 1 986 . 1 1 91 91 ASN CB C 13 38.870 0.100 . 1 . . . A 85 ASN CB . 34127 1 987 . 1 1 91 91 ASN N N 15 119.793 0.100 . 1 . . . A 85 ASN N . 34127 1 988 . 1 1 91 91 ASN ND2 N 15 111.903 0.100 . 1 . . . A 85 ASN ND2 . 34127 1 989 . 1 1 92 92 ASN H H 1 8.432 0.020 . 1 . . . A 86 ASN H . 34127 1 990 . 1 1 92 92 ASN HA H 1 4.656 0.020 . 1 . . . A 86 ASN HA . 34127 1 991 . 1 1 92 92 ASN HB2 H 1 2.661 0.020 . 2 . . . A 86 ASN HB2 . 34127 1 992 . 1 1 92 92 ASN HB3 H 1 2.759 0.020 . 2 . . . A 86 ASN HB3 . 34127 1 993 . 1 1 92 92 ASN HD21 H 1 7.641 0.020 . 2 . . . A 86 ASN HD21 . 34127 1 994 . 1 1 92 92 ASN HD22 H 1 6.974 0.020 . 2 . . . A 86 ASN HD22 . 34127 1 995 . 1 1 92 92 ASN CA C 13 53.317 0.100 . 1 . . . A 86 ASN CA . 34127 1 996 . 1 1 92 92 ASN CB C 13 38.702 0.100 . 1 . . . A 86 ASN CB . 34127 1 997 . 1 1 92 92 ASN N N 15 118.176 0.100 . 1 . . . A 86 ASN N . 34127 1 998 . 1 1 92 92 ASN ND2 N 15 112.159 0.100 . 1 . . . A 86 ASN ND2 . 34127 1 999 . 1 1 93 93 PHE H H 1 8.261 0.020 . 1 . . . A 87 PHE H . 34127 1 1000 . 1 1 93 93 PHE HA H 1 4.563 0.020 . 1 . . . A 87 PHE HA . 34127 1 1001 . 1 1 93 93 PHE HB2 H 1 3.049 0.020 . 2 . . . A 87 PHE HB2 . 34127 1 1002 . 1 1 93 93 PHE HB3 H 1 3.170 0.020 . 2 . . . A 87 PHE HB3 . 34127 1 1003 . 1 1 93 93 PHE HD1 H 1 7.234 0.020 . 1 . . . A 87 PHE HD1 . 34127 1 1004 . 1 1 93 93 PHE HD2 H 1 7.234 0.020 . 1 . . . A 87 PHE HD2 . 34127 1 1005 . 1 1 93 93 PHE HE1 H 1 7.325 0.020 . 1 . . . A 87 PHE HE1 . 34127 1 1006 . 1 1 93 93 PHE HE2 H 1 7.325 0.020 . 1 . . . A 87 PHE HE2 . 34127 1 1007 . 1 1 93 93 PHE HZ H 1 7.143 0.020 . 1 . . . A 87 PHE HZ . 34127 1 1008 . 1 1 93 93 PHE CA C 13 58.047 0.100 . 1 . . . A 87 PHE CA . 34127 1 1009 . 1 1 93 93 PHE CB C 13 39.205 0.100 . 1 . . . A 87 PHE CB . 34127 1 1010 . 1 1 93 93 PHE N N 15 119.264 0.100 . 1 . . . A 87 PHE N . 34127 1 1011 . 1 1 94 94 LYS H H 1 8.229 0.020 . 1 . . . A 88 LYS H . 34127 1 1012 . 1 1 94 94 LYS HA H 1 4.328 0.020 . 1 . . . A 88 LYS HA . 34127 1 1013 . 1 1 94 94 LYS HB2 H 1 1.793 0.020 . 2 . . . A 88 LYS HB2 . 34127 1 1014 . 1 1 94 94 LYS HB3 H 1 1.721 0.020 . 2 . . . A 88 LYS HB3 . 34127 1 1015 . 1 1 94 94 LYS HG2 H 1 1.333 0.020 . 2 . . . A 88 LYS HG2 . 34127 1 1016 . 1 1 94 94 LYS HG3 H 1 1.391 0.020 . 2 . . . A 88 LYS HG3 . 34127 1 1017 . 1 1 94 94 LYS HD2 H 1 1.649 0.020 . 2 . . . A 88 LYS HD2 . 34127 1 1018 . 1 1 94 94 LYS HE2 H 1 2.959 0.020 . 2 . . . A 88 LYS HE2 . 34127 1 1019 . 1 1 94 94 LYS CA C 13 56.394 0.100 . 1 . . . A 88 LYS CA . 34127 1 1020 . 1 1 94 94 LYS CB C 13 33.326 0.100 . 1 . . . A 88 LYS CB . 34127 1 1021 . 1 1 94 94 LYS CG C 13 24.870 0.100 . 1 . . . A 88 LYS CG . 34127 1 1022 . 1 1 94 94 LYS CD C 13 29.160 0.100 . 1 . . . A 88 LYS CD . 34127 1 1023 . 1 1 94 94 LYS CE C 13 42.148 0.100 . 1 . . . A 88 LYS CE . 34127 1 1024 . 1 1 94 94 LYS N N 15 121.657 0.100 . 1 . . . A 88 LYS N . 34127 1 1025 . 1 1 95 95 THR H H 1 8.210 0.020 . 1 . . . A 89 THR H . 34127 1 1026 . 1 1 95 95 THR HA H 1 4.309 0.020 . 1 . . . A 89 THR HA . 34127 1 1027 . 1 1 95 95 THR HB H 1 4.185 0.020 . 1 . . . A 89 THR HB . 34127 1 1028 . 1 1 95 95 THR HG21 H 1 1.193 0.020 . 1 . . . A 89 THR HG21 . 34127 1 1029 . 1 1 95 95 THR HG22 H 1 1.193 0.020 . 1 . . . A 89 THR HG22 . 34127 1 1030 . 1 1 95 95 THR HG23 H 1 1.193 0.020 . 1 . . . A 89 THR HG23 . 34127 1 1031 . 1 1 95 95 THR CA C 13 62.036 0.100 . 1 . . . A 89 THR CA . 34127 1 1032 . 1 1 95 95 THR CB C 13 69.772 0.100 . 1 . . . A 89 THR CB . 34127 1 1033 . 1 1 95 95 THR CG2 C 13 21.582 0.100 . 1 . . . A 89 THR CG2 . 34127 1 1034 . 1 1 95 95 THR N N 15 115.220 0.100 . 1 . . . A 89 THR N . 34127 1 1035 . 1 1 96 96 ILE H H 1 8.312 0.020 . 1 . . . A 90 ILE H . 34127 1 1036 . 1 1 96 96 ILE HA H 1 4.147 0.020 . 1 . . . A 90 ILE HA . 34127 1 1037 . 1 1 96 96 ILE HB H 1 1.840 0.020 . 1 . . . A 90 ILE HB . 34127 1 1038 . 1 1 96 96 ILE HG12 H 1 1.467 0.020 . 2 . . . A 90 ILE HG12 . 34127 1 1039 . 1 1 96 96 ILE HG13 H 1 1.173 0.020 . 2 . . . A 90 ILE HG13 . 34127 1 1040 . 1 1 96 96 ILE HG21 H 1 0.863 0.020 . 1 . . . A 90 ILE HG21 . 34127 1 1041 . 1 1 96 96 ILE HG22 H 1 0.863 0.020 . 1 . . . A 90 ILE HG22 . 34127 1 1042 . 1 1 96 96 ILE HG23 H 1 0.863 0.020 . 1 . . . A 90 ILE HG23 . 34127 1 1043 . 1 1 96 96 ILE HD11 H 1 0.843 0.020 . 1 . . . A 90 ILE HD11 . 34127 1 1044 . 1 1 96 96 ILE HD12 H 1 0.843 0.020 . 1 . . . A 90 ILE HD12 . 34127 1 1045 . 1 1 96 96 ILE HD13 H 1 0.843 0.020 . 1 . . . A 90 ILE HD13 . 34127 1 1046 . 1 1 96 96 ILE CA C 13 61.259 0.100 . 1 . . . A 90 ILE CA . 34127 1 1047 . 1 1 96 96 ILE CB C 13 38.770 0.100 . 1 . . . A 90 ILE CB . 34127 1 1048 . 1 1 96 96 ILE CG1 C 13 27.414 0.100 . 1 . . . A 90 ILE CG1 . 34127 1 1049 . 1 1 96 96 ILE CG2 C 13 17.548 0.100 . 1 . . . A 90 ILE CG2 . 34127 1 1050 . 1 1 96 96 ILE CD1 C 13 13.008 0.100 . 1 . . . A 90 ILE CD1 . 34127 1 1051 . 1 1 96 96 ILE N N 15 122.996 0.100 . 1 . . . A 90 ILE N . 34127 1 1052 . 1 1 97 97 LYS H H 1 8.494 0.020 . 1 . . . A 91 LYS H . 34127 1 1053 . 1 1 97 97 LYS HA H 1 4.287 0.020 . 1 . . . A 91 LYS HA . 34127 1 1054 . 1 1 97 97 LYS HB2 H 1 1.693 0.020 . 2 . . . A 91 LYS HB2 . 34127 1 1055 . 1 1 97 97 LYS HB3 H 1 1.749 0.020 . 2 . . . A 91 LYS HB3 . 34127 1 1056 . 1 1 97 97 LYS HG2 H 1 1.327 0.020 . 2 . . . A 91 LYS HG2 . 34127 1 1057 . 1 1 97 97 LYS HG3 H 1 1.408 0.020 . 2 . . . A 91 LYS HG3 . 34127 1 1058 . 1 1 97 97 LYS HD2 H 1 1.658 0.020 . 2 . . . A 91 LYS HD2 . 34127 1 1059 . 1 1 97 97 LYS HE2 H 1 2.957 0.020 . 2 . . . A 91 LYS HE2 . 34127 1 1060 . 1 1 97 97 LYS CA C 13 56.254 0.100 . 1 . . . A 91 LYS CA . 34127 1 1061 . 1 1 97 97 LYS CB C 13 32.780 0.100 . 1 . . . A 91 LYS CB . 34127 1 1062 . 1 1 97 97 LYS CG C 13 24.883 0.100 . 1 . . . A 91 LYS CG . 34127 1 1063 . 1 1 97 97 LYS CD C 13 29.131 0.100 . 1 . . . A 91 LYS CD . 34127 1 1064 . 1 1 97 97 LYS CE C 13 42.141 0.100 . 1 . . . A 91 LYS CE . 34127 1 1065 . 1 1 97 97 LYS N N 15 125.037 0.100 . 1 . . . A 91 LYS N . 34127 1 1066 . 1 1 98 98 MET H H 1 8.486 0.020 . 1 . . . A 92 MET H . 34127 1 1067 . 1 1 98 98 MET HA H 1 4.315 0.020 . 1 . . . A 92 MET HA . 34127 1 1068 . 1 1 98 98 MET HB2 H 1 1.869 0.020 . 2 . . . A 92 MET HB2 . 34127 1 1069 . 1 1 98 98 MET HG2 H 1 2.482 0.020 . 2 . . . A 92 MET HG2 . 34127 1 1070 . 1 1 98 98 MET HG3 H 1 2.381 0.020 . 2 . . . A 92 MET HG3 . 34127 1 1071 . 1 1 98 98 MET HE1 H 1 1.937 0.020 . 1 . . . A 92 MET HE1 . 34127 1 1072 . 1 1 98 98 MET HE2 H 1 1.937 0.020 . 1 . . . A 92 MET HE2 . 34127 1 1073 . 1 1 98 98 MET HE3 H 1 1.937 0.020 . 1 . . . A 92 MET HE3 . 34127 1 1074 . 1 1 98 98 MET CA C 13 55.910 0.100 . 1 . . . A 92 MET CA . 34127 1 1075 . 1 1 98 98 MET CB C 13 32.786 0.100 . 1 . . . A 92 MET CB . 34127 1 1076 . 1 1 98 98 MET CG C 13 31.977 0.100 . 1 . . . A 92 MET CG . 34127 1 1077 . 1 1 98 98 MET CE C 13 16.760 0.100 . 1 . . . A 92 MET CE . 34127 1 1078 . 1 1 98 98 MET N N 15 121.088 0.100 . 1 . . . A 92 MET N . 34127 1 1079 . 1 1 99 99 PHE H H 1 8.353 0.020 . 1 . . . A 93 PHE H . 34127 1 1080 . 1 1 99 99 PHE HA H 1 4.653 0.020 . 1 . . . A 93 PHE HA . 34127 1 1081 . 1 1 99 99 PHE HB2 H 1 3.236 0.020 . 2 . . . A 93 PHE HB2 . 34127 1 1082 . 1 1 99 99 PHE HB3 H 1 3.010 0.020 . 2 . . . A 93 PHE HB3 . 34127 1 1083 . 1 1 99 99 PHE HD1 H 1 7.268 0.020 . 1 . . . A 93 PHE HD1 . 34127 1 1084 . 1 1 99 99 PHE HD2 H 1 7.268 0.020 . 1 . . . A 93 PHE HD2 . 34127 1 1085 . 1 1 99 99 PHE HE1 H 1 7.298 0.020 . 1 . . . A 93 PHE HE1 . 34127 1 1086 . 1 1 99 99 PHE HE2 H 1 7.298 0.020 . 1 . . . A 93 PHE HE2 . 34127 1 1087 . 1 1 99 99 PHE CA C 13 57.599 0.100 . 1 . . . A 93 PHE CA . 34127 1 1088 . 1 1 99 99 PHE CB C 13 39.477 0.100 . 1 . . . A 93 PHE CB . 34127 1 1089 . 1 1 99 99 PHE N N 15 118.408 0.100 . 1 . . . A 93 PHE N . 34127 1 1090 . 1 1 100 100 GLU H H 1 8.383 0.020 . 1 . . . A 94 GLU H . 34127 1 1091 . 1 1 100 100 GLU HA H 1 4.286 0.020 . 1 . . . A 94 GLU HA . 34127 1 1092 . 1 1 100 100 GLU HB2 H 1 1.916 0.020 . 2 . . . A 94 GLU HB2 . 34127 1 1093 . 1 1 100 100 GLU HB3 H 1 2.052 0.020 . 2 . . . A 94 GLU HB3 . 34127 1 1094 . 1 1 100 100 GLU HG2 H 1 2.249 0.020 . 2 . . . A 94 GLU HG2 . 34127 1 1095 . 1 1 100 100 GLU CA C 13 56.522 0.100 . 1 . . . A 94 GLU CA . 34127 1 1096 . 1 1 100 100 GLU CB C 13 30.625 0.100 . 1 . . . A 94 GLU CB . 34127 1 1097 . 1 1 100 100 GLU CG C 13 36.261 0.100 . 1 . . . A 94 GLU CG . 34127 1 1098 . 1 1 100 100 GLU N N 15 120.827 0.100 . 1 . . . A 94 GLU N . 34127 1 1099 . 1 1 101 101 ASP H H 1 8.503 0.020 . 1 . . . A 95 ASP H . 34127 1 1100 . 1 1 101 101 ASP HA H 1 4.582 0.020 . 1 . . . A 95 ASP HA . 34127 1 1101 . 1 1 101 101 ASP HB2 H 1 2.612 0.020 . 2 . . . A 95 ASP HB2 . 34127 1 1102 . 1 1 101 101 ASP HB3 H 1 2.713 0.020 . 2 . . . A 95 ASP HB3 . 34127 1 1103 . 1 1 101 101 ASP CA C 13 54.424 0.100 . 1 . . . A 95 ASP CA . 34127 1 1104 . 1 1 101 101 ASP CB C 13 41.263 0.100 . 1 . . . A 95 ASP CB . 34127 1 1105 . 1 1 101 101 ASP N N 15 120.741 0.100 . 1 . . . A 95 ASP N . 34127 1 1106 . 1 1 102 102 ASP H H 1 8.459 0.020 . 1 . . . A 96 ASP H . 34127 1 1107 . 1 1 102 102 ASP HA H 1 4.623 0.020 . 1 . . . A 96 ASP HA . 34127 1 1108 . 1 1 102 102 ASP HB2 H 1 2.745 0.020 . 2 . . . A 96 ASP HB2 . 34127 1 1109 . 1 1 102 102 ASP HB3 H 1 2.654 0.020 . 2 . . . A 96 ASP HB3 . 34127 1 1110 . 1 1 102 102 ASP CA C 13 54.410 0.100 . 1 . . . A 96 ASP CA . 34127 1 1111 . 1 1 102 102 ASP CB C 13 41.126 0.100 . 1 . . . A 96 ASP CB . 34127 1 1112 . 1 1 102 102 ASP N N 15 120.377 0.100 . 1 . . . A 96 ASP N . 34127 1 1113 . 1 1 103 103 VAL H H 1 8.293 0.020 . 1 . . . A 97 VAL H . 34127 1 1114 . 1 1 103 103 VAL HA H 1 4.159 0.020 . 1 . . . A 97 VAL HA . 34127 1 1115 . 1 1 103 103 VAL HB H 1 2.185 0.020 . 1 . . . A 97 VAL HB . 34127 1 1116 . 1 1 103 103 VAL HG11 H 1 0.939 0.020 . 2 . . . A 97 VAL HG11 . 34127 1 1117 . 1 1 103 103 VAL HG12 H 1 0.939 0.020 . 2 . . . A 97 VAL HG12 . 34127 1 1118 . 1 1 103 103 VAL HG13 H 1 0.939 0.020 . 2 . . . A 97 VAL HG13 . 34127 1 1119 . 1 1 103 103 VAL HG21 H 1 0.941 0.020 . 2 . . . A 97 VAL HG21 . 34127 1 1120 . 1 1 103 103 VAL HG22 H 1 0.941 0.020 . 2 . . . A 97 VAL HG22 . 34127 1 1121 . 1 1 103 103 VAL HG23 H 1 0.941 0.020 . 2 . . . A 97 VAL HG23 . 34127 1 1122 . 1 1 103 103 VAL CA C 13 62.668 0.100 . 1 . . . A 97 VAL CA . 34127 1 1123 . 1 1 103 103 VAL CB C 13 32.370 0.100 . 1 . . . A 97 VAL CB . 34127 1 1124 . 1 1 103 103 VAL CG1 C 13 21.112 0.100 . 2 . . . A 97 VAL CG1 . 34127 1 1125 . 1 1 103 103 VAL CG2 C 13 20.382 0.100 . 2 . . . A 97 VAL CG2 . 34127 1 1126 . 1 1 103 103 VAL N N 15 119.951 0.100 . 1 . . . A 97 VAL N . 34127 1 1127 . 1 1 104 104 SER H H 1 8.578 0.020 . 1 . . . A 98 SER H . 34127 1 1128 . 1 1 104 104 SER HA H 1 4.440 0.020 . 1 . . . A 98 SER HA . 34127 1 1129 . 1 1 104 104 SER HB2 H 1 3.938 0.020 . 2 . . . A 98 SER HB2 . 34127 1 1130 . 1 1 104 104 SER HB3 H 1 3.877 0.020 . 2 . . . A 98 SER HB3 . 34127 1 1131 . 1 1 104 104 SER CA C 13 59.045 0.100 . 1 . . . A 98 SER CA . 34127 1 1132 . 1 1 104 104 SER CB C 13 63.714 0.100 . 1 . . . A 98 SER CB . 34127 1 1133 . 1 1 104 104 SER N N 15 118.467 0.100 . 1 . . . A 98 SER N . 34127 1 1134 . 1 1 105 105 SER H H 1 8.442 0.020 . 1 . . . A 99 SER H . 34127 1 1135 . 1 1 105 105 SER HA H 1 4.437 0.020 . 1 . . . A 99 SER HA . 34127 1 1136 . 1 1 105 105 SER HB2 H 1 3.878 0.020 . 2 . . . A 99 SER HB2 . 34127 1 1137 . 1 1 105 105 SER HB3 H 1 3.937 0.020 . 2 . . . A 99 SER HB3 . 34127 1 1138 . 1 1 105 105 SER CA C 13 58.825 0.100 . 1 . . . A 99 SER CA . 34127 1 1139 . 1 1 105 105 SER CB C 13 63.644 0.100 . 1 . . . A 99 SER CB . 34127 1 1140 . 1 1 105 105 SER N N 15 117.312 0.100 . 1 . . . A 99 SER N . 34127 1 1141 . 1 1 106 106 ALA H H 1 8.362 0.020 . 1 . . . A 100 ALA H . 34127 1 1142 . 1 1 106 106 ALA HA H 1 4.340 0.020 . 1 . . . A 100 ALA HA . 34127 1 1143 . 1 1 106 106 ALA HB1 H 1 1.420 0.020 . 1 . . . A 100 ALA HB1 . 34127 1 1144 . 1 1 106 106 ALA HB2 H 1 1.420 0.020 . 1 . . . A 100 ALA HB2 . 34127 1 1145 . 1 1 106 106 ALA HB3 H 1 1.420 0.020 . 1 . . . A 100 ALA HB3 . 34127 1 1146 . 1 1 106 106 ALA CA C 13 52.954 0.100 . 1 . . . A 100 ALA CA . 34127 1 1147 . 1 1 106 106 ALA CB C 13 19.157 0.100 . 1 . . . A 100 ALA CB . 34127 1 1148 . 1 1 106 106 ALA N N 15 125.101 0.100 . 1 . . . A 100 ALA N . 34127 1 1149 . 1 1 107 107 SER H H 1 8.296 0.020 . 1 . . . A 101 SER H . 34127 1 1150 . 1 1 107 107 SER HA H 1 4.421 0.020 . 1 . . . A 101 SER HA . 34127 1 1151 . 1 1 107 107 SER HB2 H 1 3.877 0.020 . 2 . . . A 101 SER HB2 . 34127 1 1152 . 1 1 107 107 SER HB3 H 1 3.938 0.020 . 2 . . . A 101 SER HB3 . 34127 1 1153 . 1 1 107 107 SER CA C 13 58.393 0.100 . 1 . . . A 101 SER CA . 34127 1 1154 . 1 1 107 107 SER CB C 13 63.832 0.100 . 1 . . . A 101 SER CB . 34127 1 1155 . 1 1 107 107 SER N N 15 114.004 0.100 . 1 . . . A 101 SER N . 34127 1 1156 . 1 1 108 108 ALA H H 1 8.331 0.020 . 1 . . . A 102 ALA H . 34127 1 1157 . 1 1 108 108 ALA HA H 1 4.333 0.020 . 1 . . . A 102 ALA HA . 34127 1 1158 . 1 1 108 108 ALA HB1 H 1 1.393 0.020 . 1 . . . A 102 ALA HB1 . 34127 1 1159 . 1 1 108 108 ALA HB2 H 1 1.393 0.020 . 1 . . . A 102 ALA HB2 . 34127 1 1160 . 1 1 108 108 ALA HB3 H 1 1.393 0.020 . 1 . . . A 102 ALA HB3 . 34127 1 1161 . 1 1 108 108 ALA CA C 13 52.455 0.100 . 1 . . . A 102 ALA CA . 34127 1 1162 . 1 1 108 108 ALA CB C 13 19.229 0.100 . 1 . . . A 102 ALA CB . 34127 1 1163 . 1 1 108 108 ALA N N 15 125.162 0.100 . 1 . . . A 102 ALA N . 34127 1 1164 . 1 1 109 109 GLN H H 1 8.467 0.020 . 1 . . . A 103 GLN H . 34127 1 1165 . 1 1 109 109 GLN HA H 1 4.598 0.020 . 1 . . . A 103 GLN HA . 34127 1 1166 . 1 1 109 109 GLN HB2 H 1 1.947 0.020 . 2 . . . A 103 GLN HB2 . 34127 1 1167 . 1 1 109 109 GLN HB3 H 1 2.129 0.020 . 2 . . . A 103 GLN HB3 . 34127 1 1168 . 1 1 109 109 GLN HG2 H 1 2.419 0.020 . 2 . . . A 103 GLN HG2 . 34127 1 1169 . 1 1 109 109 GLN HE21 H 1 7.690 0.020 . 2 . . . A 103 GLN HE21 . 34127 1 1170 . 1 1 109 109 GLN HE22 H 1 7.017 0.020 . 2 . . . A 103 GLN HE22 . 34127 1 1171 . 1 1 109 109 GLN CA C 13 53.551 0.100 . 1 . . . A 103 GLN CA . 34127 1 1172 . 1 1 109 109 GLN CB C 13 28.948 0.100 . 1 . . . A 103 GLN CB . 34127 1 1173 . 1 1 109 109 GLN CG C 13 33.457 0.100 . 1 . . . A 103 GLN CG . 34127 1 1174 . 1 1 109 109 GLN N N 15 120.134 0.100 . 1 . . . A 103 GLN N . 34127 1 1175 . 1 1 109 109 GLN NE2 N 15 112.680 0.100 . 1 . . . A 103 GLN NE2 . 34127 1 1176 . 1 1 110 110 PRO HA H 1 4.412 0.020 . 1 . . . A 104 PRO HA . 34127 1 1177 . 1 1 110 110 PRO HB2 H 1 1.895 0.020 . 2 . . . A 104 PRO HB2 . 34127 1 1178 . 1 1 110 110 PRO HB3 H 1 2.291 0.020 . 2 . . . A 104 PRO HB3 . 34127 1 1179 . 1 1 110 110 PRO HG2 H 1 2.023 0.020 . 2 . . . A 104 PRO HG2 . 34127 1 1180 . 1 1 110 110 PRO HD2 H 1 3.688 0.020 . 2 . . . A 104 PRO HD2 . 34127 1 1181 . 1 1 110 110 PRO HD3 H 1 3.774 0.020 . 2 . . . A 104 PRO HD3 . 34127 1 1182 . 1 1 110 110 PRO CA C 13 63.154 0.100 . 1 . . . A 104 PRO CA . 34127 1 1183 . 1 1 110 110 PRO CB C 13 32.211 0.100 . 1 . . . A 104 PRO CB . 34127 1 1184 . 1 1 111 111 ASN H H 1 8.681 0.020 . 1 . . . A 105 ASN H . 34127 1 1185 . 1 1 111 111 ASN HA H 1 4.674 0.020 . 1 . . . A 105 ASN HA . 34127 1 1186 . 1 1 111 111 ASN HB2 H 1 2.713 0.020 . 2 . . . A 105 ASN HB2 . 34127 1 1187 . 1 1 111 111 ASN HB3 H 1 2.802 0.020 . 2 . . . A 105 ASN HB3 . 34127 1 1188 . 1 1 111 111 ASN HD21 H 1 7.739 0.020 . 2 . . . A 105 ASN HD21 . 34127 1 1189 . 1 1 111 111 ASN HD22 H 1 7.047 0.020 . 2 . . . A 105 ASN HD22 . 34127 1 1190 . 1 1 111 111 ASN CA C 13 53.182 0.100 . 1 . . . A 105 ASN CA . 34127 1 1191 . 1 1 111 111 ASN CB C 13 38.822 0.100 . 1 . . . A 105 ASN CB . 34127 1 1192 . 1 1 111 111 ASN N N 15 118.115 0.100 . 1 . . . A 105 ASN N . 34127 1 1193 . 1 1 111 111 ASN ND2 N 15 112.820 0.100 . 1 . . . A 105 ASN ND2 . 34127 1 1194 . 1 1 112 112 LEU H H 1 8.364 0.020 . 1 . . . A 106 LEU H . 34127 1 1195 . 1 1 112 112 LEU HA H 1 4.637 0.020 . 1 . . . A 106 LEU HA . 34127 1 1196 . 1 1 112 112 LEU HB2 H 1 1.619 0.020 . 2 . . . A 106 LEU HB2 . 34127 1 1197 . 1 1 112 112 LEU HG H 1 1.663 0.020 . 1 . . . A 106 LEU HG . 34127 1 1198 . 1 1 112 112 LEU HD11 H 1 0.920 0.020 . 2 . . . A 106 LEU HD11 . 34127 1 1199 . 1 1 112 112 LEU HD12 H 1 0.920 0.020 . 2 . . . A 106 LEU HD12 . 34127 1 1200 . 1 1 112 112 LEU HD13 H 1 0.920 0.020 . 2 . . . A 106 LEU HD13 . 34127 1 1201 . 1 1 112 112 LEU HD21 H 1 0.956 0.020 . 2 . . . A 106 LEU HD21 . 34127 1 1202 . 1 1 112 112 LEU HD22 H 1 0.956 0.020 . 2 . . . A 106 LEU HD22 . 34127 1 1203 . 1 1 112 112 LEU HD23 H 1 0.956 0.020 . 2 . . . A 106 LEU HD23 . 34127 1 1204 . 1 1 112 112 LEU CA C 13 52.948 0.100 . 1 . . . A 106 LEU CA . 34127 1 1205 . 1 1 112 112 LEU CB C 13 41.505 0.100 . 1 . . . A 106 LEU CB . 34127 1 1206 . 1 1 112 112 LEU CG C 13 26.905 0.100 . 1 . . . A 106 LEU CG . 34127 1 1207 . 1 1 112 112 LEU CD1 C 13 23.234 0.100 . 2 . . . A 106 LEU CD1 . 34127 1 1208 . 1 1 112 112 LEU CD2 C 13 25.267 0.100 . 2 . . . A 106 LEU CD2 . 34127 1 1209 . 1 1 112 112 LEU N N 15 124.088 0.100 . 1 . . . A 106 LEU N . 34127 1 1210 . 1 1 113 113 PRO HA H 1 4.232 0.020 . 1 . . . A 107 PRO HA . 34127 1 1211 . 1 1 113 113 PRO HB2 H 1 2.229 0.020 . 2 . . . A 107 PRO HB2 . 34127 1 1212 . 1 1 113 113 PRO HB3 H 1 1.902 0.020 . 2 . . . A 107 PRO HB3 . 34127 1 1213 . 1 1 113 113 PRO HG2 H 1 1.994 0.020 . 2 . . . A 107 PRO HG2 . 34127 1 1214 . 1 1 113 113 PRO HD2 H 1 3.776 0.020 . 2 . . . A 107 PRO HD2 . 34127 1 1215 . 1 1 113 113 PRO HD3 H 1 3.656 0.020 . 2 . . . A 107 PRO HD3 . 34127 1 1216 . 1 1 113 113 PRO CA C 13 64.691 0.100 . 1 . . . A 107 PRO CA . 34127 1 1217 . 1 1 113 113 PRO CB C 13 32.086 0.100 . 1 . . . A 107 PRO CB . 34127 1 1218 . 1 1 113 113 PRO CG C 13 27.231 0.100 . 1 . . . A 107 PRO CG . 34127 1 1219 . 1 1 113 113 PRO CD C 13 50.294 0.100 . 1 . . . A 107 PRO CD . 34127 1 stop_ save_