data_17263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17263 _Entry.Title ; Solution structure of the small archaeal modifier protein 1 (SAMP1) from Methanosarcina acetivorans. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-24 _Entry.Accession_date 2010-10-24 _Entry.Last_release_date 2015-11-03 _Entry.Original_release_date 2015-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Fred Damberger . F. . . 17263 2 Namit Ranjan . . . . 17263 3 Markus Sutter . . . . 17263 4 Frederic Allain . . . . 17263 5 Eilika Weber-Ban . . . . 17263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID H_exch_protection_factors 1 17263 H_exch_rates 1 17263 assigned_chemical_shifts 1 17263 heteronucl_NOEs 1 17263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 443 17263 '15N chemical shifts' 101 17263 '1H chemical shifts' 734 17263 'H exchange protection factors' 41 17263 'H exchange rates' 41 17263 'heteronuclear NOE values' 76 17263 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 3 . . 2013-07-29 2010-10-24 update author 'update protection factors' 17263 2 . . 2011-02-03 2010-10-24 update author 'update H Exchange table' 17263 1 . . 2011-01-18 2010-10-24 original author 'original release' 17263 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L52 'BMRB Entry Tracking System' 17263 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17263 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21112336 _Citation.Full_citation . _Citation.Title ; Solution structure and activation mechanism of ubiquitin-like small archaeal modifier proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 405 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 1040 _Citation.Page_last 1055 _Citation.Year 2011 _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 Namit Ranjan . . . . 17263 1 2 Fred Damberger . F. . . 17263 1 3 Markus Sutter . . . . 17263 1 4 'Frederic H-T' Allain . . . . 17263 1 5 Eilika Weber-Ban . . . . 17263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17263 _Assembly.ID 1 _Assembly.Name 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' 1 $SAMP1 A . yes native no no . . . 17263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SAMP1 _Entity.Sf_category entity _Entity.Sf_framecode SAMP1 _Entity.Entry_ID 17263 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' _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 ; GHMAEVKVKLFANLREAAGT PELPLSGEKVIDVLLSLTDK YPALKYVIFEKGDEKSEILI LCGSINILINGNNIRHLEGL ETLLKDSDEIGILPPVSGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'G-2 H-1 M1 A2 E3 ... S95 G96 G97' _Entity.Polymer_author_seq_details ; The first two residues at the N-terminus represent the remainder of a His-Tag cleaved by a protease and are not part of the native sequence. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10708.505 _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 -2 GLY . 17263 1 2 -1 HIS . 17263 1 3 1 MET . 17263 1 4 2 ALA . 17263 1 5 3 GLU . 17263 1 6 4 VAL . 17263 1 7 5 LYS . 17263 1 8 6 VAL . 17263 1 9 7 LYS . 17263 1 10 8 LEU . 17263 1 11 9 PHE . 17263 1 12 10 ALA . 17263 1 13 11 ASN . 17263 1 14 12 LEU . 17263 1 15 13 ARG . 17263 1 16 14 GLU . 17263 1 17 15 ALA . 17263 1 18 16 ALA . 17263 1 19 17 GLY . 17263 1 20 18 THR . 17263 1 21 19 PRO . 17263 1 22 20 GLU . 17263 1 23 21 LEU . 17263 1 24 22 PRO . 17263 1 25 23 LEU . 17263 1 26 24 SER . 17263 1 27 25 GLY . 17263 1 28 26 GLU . 17263 1 29 27 LYS . 17263 1 30 28 VAL . 17263 1 31 29 ILE . 17263 1 32 30 ASP . 17263 1 33 31 VAL . 17263 1 34 32 LEU . 17263 1 35 33 LEU . 17263 1 36 34 SER . 17263 1 37 35 LEU . 17263 1 38 36 THR . 17263 1 39 37 ASP . 17263 1 40 38 LYS . 17263 1 41 39 TYR . 17263 1 42 40 PRO . 17263 1 43 41 ALA . 17263 1 44 42 LEU . 17263 1 45 43 LYS . 17263 1 46 44 TYR . 17263 1 47 45 VAL . 17263 1 48 46 ILE . 17263 1 49 47 PHE . 17263 1 50 48 GLU . 17263 1 51 49 LYS . 17263 1 52 50 GLY . 17263 1 53 51 ASP . 17263 1 54 52 GLU . 17263 1 55 53 LYS . 17263 1 56 54 SER . 17263 1 57 55 GLU . 17263 1 58 56 ILE . 17263 1 59 57 LEU . 17263 1 60 58 ILE . 17263 1 61 59 LEU . 17263 1 62 60 CYS . 17263 1 63 61 GLY . 17263 1 64 62 SER . 17263 1 65 63 ILE . 17263 1 66 64 ASN . 17263 1 67 65 ILE . 17263 1 68 66 LEU . 17263 1 69 67 ILE . 17263 1 70 68 ASN . 17263 1 71 69 GLY . 17263 1 72 70 ASN . 17263 1 73 71 ASN . 17263 1 74 72 ILE . 17263 1 75 73 ARG . 17263 1 76 74 HIS . 17263 1 77 75 LEU . 17263 1 78 76 GLU . 17263 1 79 77 GLY . 17263 1 80 78 LEU . 17263 1 81 79 GLU . 17263 1 82 80 THR . 17263 1 83 81 LEU . 17263 1 84 82 LEU . 17263 1 85 83 LYS . 17263 1 86 84 ASP . 17263 1 87 85 SER . 17263 1 88 86 ASP . 17263 1 89 87 GLU . 17263 1 90 88 ILE . 17263 1 91 89 GLY . 17263 1 92 90 ILE . 17263 1 93 91 LEU . 17263 1 94 92 PRO . 17263 1 95 93 PRO . 17263 1 96 94 VAL . 17263 1 97 95 SER . 17263 1 98 96 GLY . 17263 1 99 97 GLY . 17263 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 17263 1 . HIS 2 2 17263 1 . MET 3 3 17263 1 . ALA 4 4 17263 1 . GLU 5 5 17263 1 . VAL 6 6 17263 1 . LYS 7 7 17263 1 . VAL 8 8 17263 1 . LYS 9 9 17263 1 . LEU 10 10 17263 1 . PHE 11 11 17263 1 . ALA 12 12 17263 1 . ASN 13 13 17263 1 . LEU 14 14 17263 1 . ARG 15 15 17263 1 . GLU 16 16 17263 1 . ALA 17 17 17263 1 . ALA 18 18 17263 1 . GLY 19 19 17263 1 . THR 20 20 17263 1 . PRO 21 21 17263 1 . GLU 22 22 17263 1 . LEU 23 23 17263 1 . PRO 24 24 17263 1 . LEU 25 25 17263 1 . SER 26 26 17263 1 . GLY 27 27 17263 1 . GLU 28 28 17263 1 . LYS 29 29 17263 1 . VAL 30 30 17263 1 . ILE 31 31 17263 1 . ASP 32 32 17263 1 . VAL 33 33 17263 1 . LEU 34 34 17263 1 . LEU 35 35 17263 1 . SER 36 36 17263 1 . LEU 37 37 17263 1 . THR 38 38 17263 1 . ASP 39 39 17263 1 . LYS 40 40 17263 1 . TYR 41 41 17263 1 . PRO 42 42 17263 1 . ALA 43 43 17263 1 . LEU 44 44 17263 1 . LYS 45 45 17263 1 . TYR 46 46 17263 1 . VAL 47 47 17263 1 . ILE 48 48 17263 1 . PHE 49 49 17263 1 . GLU 50 50 17263 1 . LYS 51 51 17263 1 . GLY 52 52 17263 1 . ASP 53 53 17263 1 . GLU 54 54 17263 1 . LYS 55 55 17263 1 . SER 56 56 17263 1 . GLU 57 57 17263 1 . ILE 58 58 17263 1 . LEU 59 59 17263 1 . ILE 60 60 17263 1 . LEU 61 61 17263 1 . CYS 62 62 17263 1 . GLY 63 63 17263 1 . SER 64 64 17263 1 . ILE 65 65 17263 1 . ASN 66 66 17263 1 . ILE 67 67 17263 1 . LEU 68 68 17263 1 . ILE 69 69 17263 1 . ASN 70 70 17263 1 . GLY 71 71 17263 1 . ASN 72 72 17263 1 . ASN 73 73 17263 1 . ILE 74 74 17263 1 . ARG 75 75 17263 1 . HIS 76 76 17263 1 . LEU 77 77 17263 1 . GLU 78 78 17263 1 . GLY 79 79 17263 1 . LEU 80 80 17263 1 . GLU 81 81 17263 1 . THR 82 82 17263 1 . LEU 83 83 17263 1 . LEU 84 84 17263 1 . LYS 85 85 17263 1 . ASP 86 86 17263 1 . SER 87 87 17263 1 . ASP 88 88 17263 1 . GLU 89 89 17263 1 . ILE 90 90 17263 1 . GLY 91 91 17263 1 . ILE 92 92 17263 1 . LEU 93 93 17263 1 . PRO 94 94 17263 1 . PRO 95 95 17263 1 . VAL 96 96 17263 1 . SER 97 97 17263 1 . GLY 98 98 17263 1 . GLY 99 99 17263 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 17263 _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 $SAMP1 . 2214 organism . 'Methanosarcina acetivorans' 'Methanosarcina acetivorans' . . Archaea . Methanosarcina acetivorans . . . . . . . . . . . . . 17263 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 17263 _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 $SAMP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'pROEX (Invitrogen)' . . 'modified to replace Ehe1 restriction site by an Nde1 site.' 17263 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17263 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SAMP1 '[U-99% 13C; U-99% 15N]' . . 1 $SAMP1 . . 1 . . mM . . . . 17263 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17263 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17263 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 17263 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17263 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17263 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17263 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 SAMP1 '[U-99% 15N]' . . 1 $SAMP1 . . 1 . . mM . . . . 17263 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17263 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17263 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 17263 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17263 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 17263 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.02 M 17263 1 pH 6.8 0.1 pH 17263 1 pressure 1 . atm 17263 1 temperature 298 0.1 K 17263 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17263 _Software.ID 1 _Software.Name AMBER _Software.Version 8 _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 Kollm' . . 17263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17263 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17263 _Software.ID 2 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'CYANA (Peter Guntert)' . . 17263 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17263 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17263 _Software.ID 3 _Software.Name UNIO _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Torsten Herrmann)' . . 17263 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17263 3 'structure solution' 17263 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17263 _Software.ID 4 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . www.nmr.ch 17263 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17263 4 'data analysis' 17263 4 stop_ save_ save_GAPRO _Software.Sf_category software _Software.Sf_framecode GAPRO _Software.Entry_ID 17263 _Software.ID 5 _Software.Name GAPRO _Software.Version 0.9.8 _Software.Details 'ALASCA within GAPRO was used for the analysis of a 5D APSY-HC(CC TOCSY)CONH.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Sebastian Hiller & Gerhard Wider' . www.apsy.ch 17263 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17263 5 'peak picking' 17263 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17263 _Software.ID 6 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17263 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17263 6 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17263 _Software.ID 7 _Software.Name Molmol _Software.Version 2.2K _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17263 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17263 7 stop_ save_ save_MATCH _Software.Sf_category software _Software.Sf_framecode MATCH _Software.Entry_ID 17263 _Software.ID 8 _Software.Name MATCH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 17263 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17263 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a triple-channel probehead and actively shielded gradients.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17263 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with a triple-channel probehead and actively shielded gradients.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17263 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'equipped with a triple-channel probehead and actively shielded gradients.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17263 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'equipped with a triple-channel probehead and actively shielded gradients.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17263 _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 spectrometer_1 Bruker Avance . 900 'equipped with a triple-channel probehead and actively shielded gradients.' . . 17263 1 2 spectrometer_2 Bruker Avance . 600 'equipped with a triple-channel probehead and actively shielded gradients.' . . 17263 1 3 spectrometer_3 Bruker Avance . 500 'equipped with a triple-channel probehead and actively shielded gradients.' . . 17263 1 4 spectrometer_4 Bruker Avance . 700 'equipped with a triple-channel probehead and actively shielded gradients.' . . 17263 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 17263 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17263 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17263 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17263 1 4 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17263 1 5 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17263 1 6 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17263 1 7 '5D APSY-HC(CC-TOCSY)CONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17263 1 8 '4D APSY-HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17263 1 9 '4D aromatic APSY-HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17263 1 10 '4D APSY-HBCB(CG)CDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17263 1 11 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17263 1 12 '2D 15N{1H}-NOE-[15N,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17263 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17263 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 17263 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 17263 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 17263 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17263 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 17263 1 2 '3D 1H-13C NOESY' . . . 17263 1 4 '4D APSY-HACANH' . . . 17263 1 5 '5D APSY-CBCACONH' . . . 17263 1 6 '5D APSY-HACACONH' . . . 17263 1 7 '5D APSY-HC(CC-TOCSY)CONH' . . . 17263 1 8 '4D APSY-HCCH-COSY' . . . 17263 1 9 '4D aromatic APSY-HCCH-COSY' . . . 17263 1 10 '4D APSY-HBCB(CG)CDHD' . . . 17263 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CARA . . 17263 1 5 $GAPRO . . 17263 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 2 2 HIS HA H 1 4.638 0.020 . 1 . . . . -1 HIS HA . 17263 1 2 . 1 1 2 2 HIS HB2 H 1 3.130 0.020 . 1 . . . . -1 HIS HB2 . 17263 1 3 . 1 1 2 2 HIS HB3 H 1 3.130 0.020 . 1 . . . . -1 HIS HB3 . 17263 1 4 . 1 1 2 2 HIS HD2 H 1 7.084 0.020 . 1 . . . . -1 HIS HD2 . 17263 1 5 . 1 1 2 2 HIS HE1 H 1 8.227 0.020 . 1 . . . . -1 HIS HE1 . 17263 1 6 . 1 1 2 2 HIS C C 13 174.178 0.3 . 1 . . . . -1 HIS C . 17263 1 7 . 1 1 2 2 HIS CA C 13 56.059 0.3 . 1 . . . . -1 HIS CA . 17263 1 8 . 1 1 2 2 HIS CB C 13 30.446 0.3 . 1 . . . . -1 HIS CB . 17263 1 9 . 1 1 2 2 HIS CD2 C 13 119.842 0.3 . 1 . . . . -1 HIS CD2 . 17263 1 10 . 1 1 2 2 HIS CE1 C 13 137.721 0.3 . 1 . . . . -1 HIS CE1 . 17263 1 11 . 1 1 2 2 HIS ND1 N 15 202.300 0.3 . 1 . . . . -1 HIS ND1 . 17263 1 12 . 1 1 2 2 HIS NE2 N 15 177.036 0.3 . 1 . . . . -1 HIS NE2 . 17263 1 13 . 1 1 3 3 MET H H 1 8.244 0.020 . 1 . . . . 1 MET H . 17263 1 14 . 1 1 3 3 MET HA H 1 4.075 0.020 . 1 . . . . 1 MET HA . 17263 1 15 . 1 1 3 3 MET HB2 H 1 1.880 0.020 . 1 . . . . 1 MET HB2 . 17263 1 16 . 1 1 3 3 MET HB3 H 1 1.621 0.020 . 1 . . . . 1 MET HB3 . 17263 1 17 . 1 1 3 3 MET HE1 H 1 2.029 0.020 . 1 . . . . 1 MET HE . 17263 1 18 . 1 1 3 3 MET HE2 H 1 2.029 0.020 . 1 . . . . 1 MET HE . 17263 1 19 . 1 1 3 3 MET HE3 H 1 2.029 0.020 . 1 . . . . 1 MET HE . 17263 1 20 . 1 1 3 3 MET HG2 H 1 2.456 0.020 . 1 . . . . 1 MET HG2 . 17263 1 21 . 1 1 3 3 MET HG3 H 1 2.373 0.020 . 1 . . . . 1 MET HG3 . 17263 1 22 . 1 1 3 3 MET C C 13 173.917 0.3 . 1 . . . . 1 MET C . 17263 1 23 . 1 1 3 3 MET CA C 13 54.882 0.3 . 1 . . . . 1 MET CA . 17263 1 24 . 1 1 3 3 MET CB C 13 33.300 0.3 . 1 . . . . 1 MET CB . 17263 1 25 . 1 1 3 3 MET CE C 13 17.195 0.3 . 1 . . . . 1 MET CE . 17263 1 26 . 1 1 3 3 MET CG C 13 31.958 0.3 . 1 . . . . 1 MET CG . 17263 1 27 . 1 1 3 3 MET N N 15 123.248 0.3 . 1 . . . . 1 MET N . 17263 1 28 . 1 1 4 4 ALA H H 1 7.761 0.020 . 1 . . . . 2 ALA H . 17263 1 29 . 1 1 4 4 ALA HA H 1 4.353 0.020 . 1 . . . . 2 ALA HA . 17263 1 30 . 1 1 4 4 ALA HB1 H 1 1.112 0.020 . 1 . . . . 2 ALA HB . 17263 1 31 . 1 1 4 4 ALA HB2 H 1 1.112 0.020 . 1 . . . . 2 ALA HB . 17263 1 32 . 1 1 4 4 ALA HB3 H 1 1.112 0.020 . 1 . . . . 2 ALA HB . 17263 1 33 . 1 1 4 4 ALA C C 13 176.019 0.3 . 1 . . . . 2 ALA C . 17263 1 34 . 1 1 4 4 ALA CA C 13 51.676 0.3 . 1 . . . . 2 ALA CA . 17263 1 35 . 1 1 4 4 ALA CB C 13 19.801 0.3 . 1 . . . . 2 ALA CB . 17263 1 36 . 1 1 4 4 ALA N N 15 128.115 0.3 . 1 . . . . 2 ALA N . 17263 1 37 . 1 1 5 5 GLU H H 1 8.584 0.020 . 1 . . . . 3 GLU H . 17263 1 38 . 1 1 5 5 GLU HA H 1 4.637 0.020 . 1 . . . . 3 GLU HA . 17263 1 39 . 1 1 5 5 GLU HB2 H 1 1.931 0.020 . 1 . . . . 3 GLU HB2 . 17263 1 40 . 1 1 5 5 GLU HB3 H 1 2.066 0.020 . 1 . . . . 3 GLU HB3 . 17263 1 41 . 1 1 5 5 GLU HG2 H 1 2.139 0.020 . 1 . . . . 3 GLU HG2 . 17263 1 42 . 1 1 5 5 GLU HG3 H 1 2.304 0.020 . 1 . . . . 3 GLU HG3 . 17263 1 43 . 1 1 5 5 GLU C C 13 175.949 0.3 . 1 . . . . 3 GLU C . 17263 1 44 . 1 1 5 5 GLU CA C 13 56.075 0.3 . 1 . . . . 3 GLU CA . 17263 1 45 . 1 1 5 5 GLU CB C 13 29.856 0.3 . 1 . . . . 3 GLU CB . 17263 1 46 . 1 1 5 5 GLU CG C 13 36.268 0.3 . 1 . . . . 3 GLU CG . 17263 1 47 . 1 1 5 5 GLU N N 15 121.680 0.3 . 1 . . . . 3 GLU N . 17263 1 48 . 1 1 6 6 VAL H H 1 8.821 0.020 . 1 . . . . 4 VAL H . 17263 1 49 . 1 1 6 6 VAL HA H 1 4.979 0.020 . 1 . . . . 4 VAL HA . 17263 1 50 . 1 1 6 6 VAL HB H 1 2.355 0.020 . 1 . . . . 4 VAL HB . 17263 1 51 . 1 1 6 6 VAL HG11 H 1 0.926 0.020 . 1 . . . . 4 VAL HG1 . 17263 1 52 . 1 1 6 6 VAL HG12 H 1 0.926 0.020 . 1 . . . . 4 VAL HG1 . 17263 1 53 . 1 1 6 6 VAL HG13 H 1 0.926 0.020 . 1 . . . . 4 VAL HG1 . 17263 1 54 . 1 1 6 6 VAL HG21 H 1 0.588 0.020 . 1 . . . . 4 VAL HG2 . 17263 1 55 . 1 1 6 6 VAL HG22 H 1 0.588 0.020 . 1 . . . . 4 VAL HG2 . 17263 1 56 . 1 1 6 6 VAL HG23 H 1 0.588 0.020 . 1 . . . . 4 VAL HG2 . 17263 1 57 . 1 1 6 6 VAL C C 13 174.599 0.3 . 1 . . . . 4 VAL C . 17263 1 58 . 1 1 6 6 VAL CA C 13 59.010 0.3 . 1 . . . . 4 VAL CA . 17263 1 59 . 1 1 6 6 VAL CB C 13 34.420 0.3 . 1 . . . . 4 VAL CB . 17263 1 60 . 1 1 6 6 VAL CG1 C 13 18.750 0.3 . 1 . . . . 4 VAL CG1 . 17263 1 61 . 1 1 6 6 VAL CG2 C 13 23.369 0.3 . 1 . . . . 4 VAL CG2 . 17263 1 62 . 1 1 6 6 VAL N N 15 118.405 0.3 . 1 . . . . 4 VAL N . 17263 1 63 . 1 1 7 7 LYS H H 1 8.358 0.020 . 1 . . . . 5 LYS H . 17263 1 64 . 1 1 7 7 LYS HA H 1 4.781 0.020 . 1 . . . . 5 LYS HA . 17263 1 65 . 1 1 7 7 LYS HB2 H 1 1.624 0.020 . 1 . . . . 5 LYS HB2 . 17263 1 66 . 1 1 7 7 LYS HB3 H 1 1.723 0.020 . 1 . . . . 5 LYS HB3 . 17263 1 67 . 1 1 7 7 LYS HD2 H 1 1.529 0.020 . 1 . . . . 5 LYS HD2 . 17263 1 68 . 1 1 7 7 LYS HD3 H 1 1.605 0.020 . 1 . . . . 5 LYS HD3 . 17263 1 69 . 1 1 7 7 LYS HE2 H 1 2.857 0.020 . 1 . . . . 5 LYS HE2 . 17263 1 70 . 1 1 7 7 LYS HE3 H 1 2.912 0.020 . 1 . . . . 5 LYS HE3 . 17263 1 71 . 1 1 7 7 LYS HG2 H 1 1.326 0.020 . 1 . . . . 5 LYS HG2 . 17263 1 72 . 1 1 7 7 LYS HG3 H 1 1.245 0.020 . 1 . . . . 5 LYS HG3 . 17263 1 73 . 1 1 7 7 LYS C C 13 174.714 0.3 . 1 . . . . 5 LYS C . 17263 1 74 . 1 1 7 7 LYS CA C 13 54.991 0.3 . 1 . . . . 5 LYS CA . 17263 1 75 . 1 1 7 7 LYS CB C 13 34.863 0.3 . 1 . . . . 5 LYS CB . 17263 1 76 . 1 1 7 7 LYS CD C 13 28.957 0.3 . 1 . . . . 5 LYS CD . 17263 1 77 . 1 1 7 7 LYS CE C 13 41.657 0.3 . 1 . . . . 5 LYS CE . 17263 1 78 . 1 1 7 7 LYS CG C 13 24.578 0.3 . 1 . . . . 5 LYS CG . 17263 1 79 . 1 1 7 7 LYS N N 15 120.618 0.3 . 1 . . . . 5 LYS N . 17263 1 80 . 1 1 8 8 VAL H H 1 8.967 0.020 . 1 . . . . 6 VAL H . 17263 1 81 . 1 1 8 8 VAL HA H 1 4.868 0.020 . 1 . . . . 6 VAL HA . 17263 1 82 . 1 1 8 8 VAL HB H 1 2.083 0.020 . 1 . . . . 6 VAL HB . 17263 1 83 . 1 1 8 8 VAL HG11 H 1 0.737 0.020 . 1 . . . . 6 VAL HG1 . 17263 1 84 . 1 1 8 8 VAL HG12 H 1 0.737 0.020 . 1 . . . . 6 VAL HG1 . 17263 1 85 . 1 1 8 8 VAL HG13 H 1 0.737 0.020 . 1 . . . . 6 VAL HG1 . 17263 1 86 . 1 1 8 8 VAL HG21 H 1 0.831 0.020 . 1 . . . . 6 VAL HG2 . 17263 1 87 . 1 1 8 8 VAL HG22 H 1 0.831 0.020 . 1 . . . . 6 VAL HG2 . 17263 1 88 . 1 1 8 8 VAL HG23 H 1 0.831 0.020 . 1 . . . . 6 VAL HG2 . 17263 1 89 . 1 1 8 8 VAL C C 13 174.263 0.3 . 1 . . . . 6 VAL C . 17263 1 90 . 1 1 8 8 VAL CA C 13 61.101 0.3 . 1 . . . . 6 VAL CA . 17263 1 91 . 1 1 8 8 VAL CB C 13 32.395 0.3 . 1 . . . . 6 VAL CB . 17263 1 92 . 1 1 8 8 VAL CG1 C 13 21.755 0.3 . 1 . . . . 6 VAL CG1 . 17263 1 93 . 1 1 8 8 VAL CG2 C 13 22.969 0.3 . 1 . . . . 6 VAL CG2 . 17263 1 94 . 1 1 8 8 VAL N N 15 125.158 0.3 . 1 . . . . 6 VAL N . 17263 1 95 . 1 1 9 9 LYS H H 1 9.457 0.020 . 1 . . . . 7 LYS H . 17263 1 96 . 1 1 9 9 LYS HA H 1 4.822 0.020 . 1 . . . . 7 LYS HA . 17263 1 97 . 1 1 9 9 LYS HB2 H 1 1.618 0.020 . 1 . . . . 7 LYS HB2 . 17263 1 98 . 1 1 9 9 LYS HB3 H 1 1.618 0.020 . 1 . . . . 7 LYS HB3 . 17263 1 99 . 1 1 9 9 LYS HD2 H 1 1.575 0.020 . 1 . . . . 7 LYS HD2 . 17263 1 100 . 1 1 9 9 LYS HD3 H 1 1.575 0.020 . 1 . . . . 7 LYS HD3 . 17263 1 101 . 1 1 9 9 LYS HE2 H 1 2.737 0.020 . 1 . . . . 7 LYS HE2 . 17263 1 102 . 1 1 9 9 LYS HE3 H 1 2.780 0.020 . 1 . . . . 7 LYS HE3 . 17263 1 103 . 1 1 9 9 LYS HG2 H 1 1.104 0.020 . 1 . . . . 7 LYS HG2 . 17263 1 104 . 1 1 9 9 LYS HG3 H 1 1.257 0.020 . 1 . . . . 7 LYS HG3 . 17263 1 105 . 1 1 9 9 LYS C C 13 174.000 0.3 . 1 . . . . 7 LYS C . 17263 1 106 . 1 1 9 9 LYS CA C 13 54.820 0.3 . 1 . . . . 7 LYS CA . 17263 1 107 . 1 1 9 9 LYS CB C 13 34.781 0.3 . 1 . . . . 7 LYS CB . 17263 1 108 . 1 1 9 9 LYS CD C 13 29.382 0.3 . 1 . . . . 7 LYS CD . 17263 1 109 . 1 1 9 9 LYS CE C 13 42.100 0.3 . 1 . . . . 7 LYS CE . 17263 1 110 . 1 1 9 9 LYS CG C 13 25.446 0.3 . 1 . . . . 7 LYS CG . 17263 1 111 . 1 1 9 9 LYS N N 15 127.107 0.3 . 1 . . . . 7 LYS N . 17263 1 112 . 1 1 10 10 LEU H H 1 7.978 0.020 . 1 . . . . 8 LEU H . 17263 1 113 . 1 1 10 10 LEU HA H 1 4.618 0.020 . 1 . . . . 8 LEU HA . 17263 1 114 . 1 1 10 10 LEU HB2 H 1 0.937 0.020 . 1 . . . . 8 LEU HB2 . 17263 1 115 . 1 1 10 10 LEU HB3 H 1 1.618 0.020 . 1 . . . . 8 LEU HB3 . 17263 1 116 . 1 1 10 10 LEU HD11 H 1 0.589 0.020 . 2 . . . . 8 LEU HD1 . 17263 1 117 . 1 1 10 10 LEU HD12 H 1 0.589 0.020 . 2 . . . . 8 LEU HD1 . 17263 1 118 . 1 1 10 10 LEU HD13 H 1 0.589 0.020 . 2 . . . . 8 LEU HD1 . 17263 1 119 . 1 1 10 10 LEU HD21 H 1 0.637 0.020 . 2 . . . . 8 LEU HD2 . 17263 1 120 . 1 1 10 10 LEU HD22 H 1 0.637 0.020 . 2 . . . . 8 LEU HD2 . 17263 1 121 . 1 1 10 10 LEU HD23 H 1 0.637 0.020 . 2 . . . . 8 LEU HD2 . 17263 1 122 . 1 1 10 10 LEU HG H 1 1.320 0.020 . 1 . . . . 8 LEU HG . 17263 1 123 . 1 1 10 10 LEU C C 13 175.655 0.3 . 1 . . . . 8 LEU C . 17263 1 124 . 1 1 10 10 LEU CA C 13 53.057 0.3 . 1 . . . . 8 LEU CA . 17263 1 125 . 1 1 10 10 LEU CB C 13 42.989 0.3 . 1 . . . . 8 LEU CB . 17263 1 126 . 1 1 10 10 LEU CD1 C 13 25.700 0.3 . 1 . . . . 8 LEU CD1 . 17263 1 127 . 1 1 10 10 LEU CD2 C 13 24.390 0.3 . 1 . . . . 8 LEU CD2 . 17263 1 128 . 1 1 10 10 LEU CG C 13 26.849 0.3 . 1 . . . . 8 LEU CG . 17263 1 129 . 1 1 10 10 LEU N N 15 122.202 0.3 . 1 . . . . 8 LEU N . 17263 1 130 . 1 1 11 11 PHE H H 1 7.297 0.020 . 1 . . . . 9 PHE H . 17263 1 131 . 1 1 11 11 PHE HA H 1 4.706 0.020 . 1 . . . . 9 PHE HA . 17263 1 132 . 1 1 11 11 PHE HB2 H 1 3.074 0.020 . 1 . . . . 9 PHE HB2 . 17263 1 133 . 1 1 11 11 PHE HB3 H 1 3.278 0.020 . 1 . . . . 9 PHE HB3 . 17263 1 134 . 1 1 11 11 PHE HD1 H 1 7.347 0.020 . 1 . . . . 9 PHE HD1 . 17263 1 135 . 1 1 11 11 PHE HD2 H 1 7.347 0.020 . 1 . . . . 9 PHE HD2 . 17263 1 136 . 1 1 11 11 PHE HE1 H 1 7.217 0.020 . 1 . . . . 9 PHE HE1 . 17263 1 137 . 1 1 11 11 PHE HE2 H 1 7.217 0.020 . 1 . . . . 9 PHE HE2 . 17263 1 138 . 1 1 11 11 PHE HZ H 1 7.251 0.020 . 1 . . . . 9 PHE HZ . 17263 1 139 . 1 1 11 11 PHE C C 13 175.159 0.3 . 1 . . . . 9 PHE C . 17263 1 140 . 1 1 11 11 PHE CA C 13 57.392 0.3 . 1 . . . . 9 PHE CA . 17263 1 141 . 1 1 11 11 PHE CB C 13 42.013 0.3 . 1 . . . . 9 PHE CB . 17263 1 142 . 1 1 11 11 PHE CD1 C 13 132.297 0.3 . 1 . . . . 9 PHE CD1 . 17263 1 143 . 1 1 11 11 PHE CD2 C 13 132.297 0.3 . 1 . . . . 9 PHE CD2 . 17263 1 144 . 1 1 11 11 PHE CE1 C 13 131.029 0.3 . 1 . . . . 9 PHE CE1 . 17263 1 145 . 1 1 11 11 PHE CE2 C 13 131.029 0.3 . 1 . . . . 9 PHE CE2 . 17263 1 146 . 1 1 11 11 PHE CZ C 13 129.679 0.3 . 1 . . . . 9 PHE CZ . 17263 1 147 . 1 1 11 11 PHE N N 15 118.463 0.3 . 1 . . . . 9 PHE N . 17263 1 148 . 1 1 12 12 ALA H H 1 9.297 0.020 . 1 . . . . 10 ALA H . 17263 1 149 . 1 1 12 12 ALA HA H 1 4.064 0.020 . 1 . . . . 10 ALA HA . 17263 1 150 . 1 1 12 12 ALA HB1 H 1 1.609 0.020 . 1 . . . . 10 ALA HB . 17263 1 151 . 1 1 12 12 ALA HB2 H 1 1.609 0.020 . 1 . . . . 10 ALA HB . 17263 1 152 . 1 1 12 12 ALA HB3 H 1 1.609 0.020 . 1 . . . . 10 ALA HB . 17263 1 153 . 1 1 12 12 ALA C C 13 177.768 0.3 . 1 . . . . 10 ALA C . 17263 1 154 . 1 1 12 12 ALA CA C 13 53.332 0.3 . 1 . . . . 10 ALA CA . 17263 1 155 . 1 1 12 12 ALA CB C 13 17.796 0.3 . 1 . . . . 10 ALA CB . 17263 1 156 . 1 1 12 12 ALA N N 15 123.374 0.3 . 1 . . . . 10 ALA N . 17263 1 157 . 1 1 13 13 ASN H H 1 8.756 0.020 . 1 . . . . 11 ASN H . 17263 1 158 . 1 1 13 13 ASN HA H 1 4.524 0.020 . 1 . . . . 11 ASN HA . 17263 1 159 . 1 1 13 13 ASN HB2 H 1 2.889 0.020 . 1 . . . . 11 ASN HB2 . 17263 1 160 . 1 1 13 13 ASN HB3 H 1 2.889 0.020 . 1 . . . . 11 ASN HB3 . 17263 1 161 . 1 1 13 13 ASN HD21 H 1 6.881 0.020 . 1 . . . . 11 ASN HD21 . 17263 1 162 . 1 1 13 13 ASN HD22 H 1 7.786 0.020 . 1 . . . . 11 ASN HD22 . 17263 1 163 . 1 1 13 13 ASN C C 13 177.258 0.3 . 1 . . . . 11 ASN C . 17263 1 164 . 1 1 13 13 ASN CA C 13 55.900 0.3 . 1 . . . . 11 ASN CA . 17263 1 165 . 1 1 13 13 ASN CB C 13 36.844 0.3 . 1 . . . . 11 ASN CB . 17263 1 166 . 1 1 13 13 ASN N N 15 118.349 0.3 . 1 . . . . 11 ASN N . 17263 1 167 . 1 1 13 13 ASN ND2 N 15 113.284 0.3 . 1 . . . . 11 ASN ND2 . 17263 1 168 . 1 1 14 14 LEU H H 1 8.088 0.020 . 1 . . . . 12 LEU H . 17263 1 169 . 1 1 14 14 LEU HA H 1 4.089 0.020 . 1 . . . . 12 LEU HA . 17263 1 170 . 1 1 14 14 LEU HB2 H 1 1.407 0.020 . 1 . . . . 12 LEU HB2 . 17263 1 171 . 1 1 14 14 LEU HB3 H 1 2.056 0.020 . 1 . . . . 12 LEU HB3 . 17263 1 172 . 1 1 14 14 LEU HD11 H 1 0.888 0.020 . 2 . . . . 12 LEU HD1 . 17263 1 173 . 1 1 14 14 LEU HD12 H 1 0.888 0.020 . 2 . . . . 12 LEU HD1 . 17263 1 174 . 1 1 14 14 LEU HD13 H 1 0.888 0.020 . 2 . . . . 12 LEU HD1 . 17263 1 175 . 1 1 14 14 LEU HD21 H 1 0.814 0.020 . 2 . . . . 12 LEU HD2 . 17263 1 176 . 1 1 14 14 LEU HD22 H 1 0.814 0.020 . 2 . . . . 12 LEU HD2 . 17263 1 177 . 1 1 14 14 LEU HD23 H 1 0.814 0.020 . 2 . . . . 12 LEU HD2 . 17263 1 178 . 1 1 14 14 LEU HG H 1 1.711 0.020 . 1 . . . . 12 LEU HG . 17263 1 179 . 1 1 14 14 LEU C C 13 177.473 0.3 . 1 . . . . 12 LEU C . 17263 1 180 . 1 1 14 14 LEU CA C 13 57.971 0.3 . 1 . . . . 12 LEU CA . 17263 1 181 . 1 1 14 14 LEU CB C 13 41.261 0.3 . 1 . . . . 12 LEU CB . 17263 1 182 . 1 1 14 14 LEU CD1 C 13 26.350 0.3 . 1 . . . . 12 LEU CD1 . 17263 1 183 . 1 1 14 14 LEU CD2 C 13 24.238 0.3 . 1 . . . . 12 LEU CD2 . 17263 1 184 . 1 1 14 14 LEU CG C 13 28.169 0.3 . 1 . . . . 12 LEU CG . 17263 1 185 . 1 1 14 14 LEU N N 15 119.749 0.3 . 1 . . . . 12 LEU N . 17263 1 186 . 1 1 15 15 ARG H H 1 6.752 0.020 . 1 . . . . 13 ARG H . 17263 1 187 . 1 1 15 15 ARG HA H 1 3.869 0.020 . 1 . . . . 13 ARG HA . 17263 1 188 . 1 1 15 15 ARG HB2 H 1 1.566 0.020 . 1 . . . . 13 ARG HB2 . 17263 1 189 . 1 1 15 15 ARG HB3 H 1 1.780 0.020 . 1 . . . . 13 ARG HB3 . 17263 1 190 . 1 1 15 15 ARG HD2 H 1 3.132 0.020 . 1 . . . . 13 ARG HD2 . 17263 1 191 . 1 1 15 15 ARG HD3 H 1 3.087 0.020 . 1 . . . . 13 ARG HD3 . 17263 1 192 . 1 1 15 15 ARG HG2 H 1 1.285 0.020 . 1 . . . . 13 ARG HG2 . 17263 1 193 . 1 1 15 15 ARG HG3 H 1 1.392 0.020 . 1 . . . . 13 ARG HG3 . 17263 1 194 . 1 1 15 15 ARG C C 13 178.600 0.3 . 1 . . . . 13 ARG C . 17263 1 195 . 1 1 15 15 ARG CA C 13 58.076 0.3 . 1 . . . . 13 ARG CA . 17263 1 196 . 1 1 15 15 ARG CB C 13 29.301 0.3 . 1 . . . . 13 ARG CB . 17263 1 197 . 1 1 15 15 ARG CD C 13 43.651 0.3 . 1 . . . . 13 ARG CD . 17263 1 198 . 1 1 15 15 ARG CG C 13 26.197 0.3 . 1 . . . . 13 ARG CG . 17263 1 199 . 1 1 15 15 ARG N N 15 118.209 0.3 . 1 . . . . 13 ARG N . 17263 1 200 . 1 1 16 16 GLU H H 1 7.432 0.020 . 1 . . . . 14 GLU H . 17263 1 201 . 1 1 16 16 GLU HA H 1 3.938 0.020 . 1 . . . . 14 GLU HA . 17263 1 202 . 1 1 16 16 GLU HB2 H 1 1.989 0.020 . 1 . . . . 14 GLU HB2 . 17263 1 203 . 1 1 16 16 GLU HB3 H 1 2.040 0.020 . 1 . . . . 14 GLU HB3 . 17263 1 204 . 1 1 16 16 GLU HG2 H 1 2.251 0.020 . 1 . . . . 14 GLU HG2 . 17263 1 205 . 1 1 16 16 GLU HG3 H 1 2.221 0.020 . 1 . . . . 14 GLU HG3 . 17263 1 206 . 1 1 16 16 GLU C C 13 178.114 0.3 . 1 . . . . 14 GLU C . 17263 1 207 . 1 1 16 16 GLU CA C 13 58.487 0.3 . 1 . . . . 14 GLU CA . 17263 1 208 . 1 1 16 16 GLU CB C 13 29.386 0.3 . 1 . . . . 14 GLU CB . 17263 1 209 . 1 1 16 16 GLU CG C 13 36.204 0.3 . 1 . . . . 14 GLU CG . 17263 1 210 . 1 1 16 16 GLU N N 15 118.029 0.3 . 1 . . . . 14 GLU N . 17263 1 211 . 1 1 17 17 ALA H H 1 7.538 0.020 . 1 . . . . 15 ALA H . 17263 1 212 . 1 1 17 17 ALA HA H 1 4.099 0.020 . 1 . . . . 15 ALA HA . 17263 1 213 . 1 1 17 17 ALA HB1 H 1 1.360 0.020 . 1 . . . . 15 ALA HB . 17263 1 214 . 1 1 17 17 ALA HB2 H 1 1.360 0.020 . 1 . . . . 15 ALA HB . 17263 1 215 . 1 1 17 17 ALA HB3 H 1 1.360 0.020 . 1 . . . . 15 ALA HB . 17263 1 216 . 1 1 17 17 ALA C C 13 178.650 0.3 . 1 . . . . 15 ALA C . 17263 1 217 . 1 1 17 17 ALA CA C 13 54.228 0.3 . 1 . . . . 15 ALA CA . 17263 1 218 . 1 1 17 17 ALA CB C 13 18.578 0.3 . 1 . . . . 15 ALA CB . 17263 1 219 . 1 1 17 17 ALA N N 15 119.933 0.3 . 1 . . . . 15 ALA N . 17263 1 220 . 1 1 18 18 ALA H H 1 7.414 0.020 . 1 . . . . 16 ALA H . 17263 1 221 . 1 1 18 18 ALA HA H 1 3.828 0.020 . 1 . . . . 16 ALA HA . 17263 1 222 . 1 1 18 18 ALA HB1 H 1 0.787 0.020 . 1 . . . . 16 ALA HB . 17263 1 223 . 1 1 18 18 ALA HB2 H 1 0.787 0.020 . 1 . . . . 16 ALA HB . 17263 1 224 . 1 1 18 18 ALA HB3 H 1 0.787 0.020 . 1 . . . . 16 ALA HB . 17263 1 225 . 1 1 18 18 ALA C C 13 177.399 0.3 . 1 . . . . 16 ALA C . 17263 1 226 . 1 1 18 18 ALA CA C 13 52.683 0.3 . 1 . . . . 16 ALA CA . 17263 1 227 . 1 1 18 18 ALA CB C 13 19.801 0.3 . 1 . . . . 16 ALA CB . 17263 1 228 . 1 1 18 18 ALA N N 15 116.544 0.3 . 1 . . . . 16 ALA N . 17263 1 229 . 1 1 19 19 GLY H H 1 7.833 0.020 . 1 . . . . 17 GLY H . 17263 1 230 . 1 1 19 19 GLY HA2 H 1 4.032 0.020 . 1 . . . . 17 GLY HA2 . 17263 1 231 . 1 1 19 19 GLY HA3 H 1 3.722 0.020 . 1 . . . . 17 GLY HA3 . 17263 1 232 . 1 1 19 19 GLY C C 13 173.304 0.3 . 1 . . . . 17 GLY C . 17263 1 233 . 1 1 19 19 GLY CA C 13 45.369 0.3 . 1 . . . . 17 GLY CA . 17263 1 234 . 1 1 19 19 GLY N N 15 105.080 0.3 . 1 . . . . 17 GLY N . 17263 1 235 . 1 1 20 20 THR H H 1 7.123 0.020 . 1 . . . . 18 THR H . 17263 1 236 . 1 1 20 20 THR HA H 1 4.956 0.020 . 1 . . . . 18 THR HA . 17263 1 237 . 1 1 20 20 THR HB H 1 4.183 0.020 . 1 . . . . 18 THR HB . 17263 1 238 . 1 1 20 20 THR HG21 H 1 0.893 0.020 . 1 . . . . 18 THR HG2 . 17263 1 239 . 1 1 20 20 THR HG22 H 1 0.893 0.020 . 1 . . . . 18 THR HG2 . 17263 1 240 . 1 1 20 20 THR HG23 H 1 0.893 0.020 . 1 . . . . 18 THR HG2 . 17263 1 241 . 1 1 20 20 THR CA C 13 57.022 0.3 . 1 . . . . 18 THR CA . 17263 1 242 . 1 1 20 20 THR CB C 13 70.398 0.3 . 1 . . . . 18 THR CB . 17263 1 243 . 1 1 20 20 THR CG2 C 13 19.465 0.3 . 1 . . . . 18 THR CG2 . 17263 1 244 . 1 1 20 20 THR N N 15 113.456 0.3 . 1 . . . . 18 THR N . 17263 1 245 . 1 1 21 21 PRO HA H 1 4.455 0.020 . 1 . . . . 19 PRO HA . 17263 1 246 . 1 1 21 21 PRO HB2 H 1 2.014 0.020 . 1 . . . . 19 PRO HB2 . 17263 1 247 . 1 1 21 21 PRO HB3 H 1 2.014 0.020 . 1 . . . . 19 PRO HB3 . 17263 1 248 . 1 1 21 21 PRO HD2 H 1 4.070 0.020 . 1 . . . . 19 PRO HD2 . 17263 1 249 . 1 1 21 21 PRO HD3 H 1 3.648 0.020 . 1 . . . . 19 PRO HD3 . 17263 1 250 . 1 1 21 21 PRO HG2 H 1 1.976 0.020 . 1 . . . . 19 PRO HG2 . 17263 1 251 . 1 1 21 21 PRO HG3 H 1 1.976 0.020 . 1 . . . . 19 PRO HG3 . 17263 1 252 . 1 1 21 21 PRO C C 13 176.313 0.3 . 1 . . . . 19 PRO C . 17263 1 253 . 1 1 21 21 PRO CA C 13 63.071 0.3 . 1 . . . . 19 PRO CA . 17263 1 254 . 1 1 21 21 PRO CB C 13 32.555 0.3 . 1 . . . . 19 PRO CB . 17263 1 255 . 1 1 21 21 PRO CD C 13 51.190 0.3 . 1 . . . . 19 PRO CD . 17263 1 256 . 1 1 21 21 PRO CG C 13 26.662 0.3 . 1 . . . . 19 PRO CG . 17263 1 257 . 1 1 22 22 GLU H H 1 7.424 0.020 . 1 . . . . 20 GLU H . 17263 1 258 . 1 1 22 22 GLU HA H 1 5.510 0.020 . 1 . . . . 20 GLU HA . 17263 1 259 . 1 1 22 22 GLU HB2 H 1 1.924 0.020 . 1 . . . . 20 GLU HB2 . 17263 1 260 . 1 1 22 22 GLU HB3 H 1 1.804 0.020 . 1 . . . . 20 GLU HB3 . 17263 1 261 . 1 1 22 22 GLU HG2 H 1 1.962 0.020 . 1 . . . . 20 GLU HG2 . 17263 1 262 . 1 1 22 22 GLU HG3 H 1 1.926 0.020 . 1 . . . . 20 GLU HG3 . 17263 1 263 . 1 1 22 22 GLU C C 13 174.000 0.3 . 1 . . . . 20 GLU C . 17263 1 264 . 1 1 22 22 GLU CA C 13 54.731 0.3 . 1 . . . . 20 GLU CA . 17263 1 265 . 1 1 22 22 GLU CB C 13 33.204 0.3 . 1 . . . . 20 GLU CB . 17263 1 266 . 1 1 22 22 GLU CG C 13 35.921 0.3 . 1 . . . . 20 GLU CG . 17263 1 267 . 1 1 22 22 GLU N N 15 116.808 0.3 . 1 . . . . 20 GLU N . 17263 1 268 . 1 1 23 23 LEU H H 1 9.023 0.020 . 1 . . . . 21 LEU H . 17263 1 269 . 1 1 23 23 LEU HA H 1 4.977 0.020 . 1 . . . . 21 LEU HA . 17263 1 270 . 1 1 23 23 LEU HB2 H 1 1.651 0.020 . 1 . . . . 21 LEU HB2 . 17263 1 271 . 1 1 23 23 LEU HB3 H 1 1.705 0.020 . 1 . . . . 21 LEU HB3 . 17263 1 272 . 1 1 23 23 LEU HD11 H 1 0.808 0.020 . 2 . . . . 21 LEU HD1 . 17263 1 273 . 1 1 23 23 LEU HD12 H 1 0.808 0.020 . 2 . . . . 21 LEU HD1 . 17263 1 274 . 1 1 23 23 LEU HD13 H 1 0.808 0.020 . 2 . . . . 21 LEU HD1 . 17263 1 275 . 1 1 23 23 LEU HD21 H 1 0.906 0.020 . 2 . . . . 21 LEU HD2 . 17263 1 276 . 1 1 23 23 LEU HD22 H 1 0.906 0.020 . 2 . . . . 21 LEU HD2 . 17263 1 277 . 1 1 23 23 LEU HD23 H 1 0.906 0.020 . 2 . . . . 21 LEU HD2 . 17263 1 278 . 1 1 23 23 LEU HG H 1 1.590 0.020 . 1 . . . . 21 LEU HG . 17263 1 279 . 1 1 23 23 LEU CA C 13 53.714 0.3 . 1 . . . . 21 LEU CA . 17263 1 280 . 1 1 23 23 LEU CB C 13 42.819 0.3 . 1 . . . . 21 LEU CB . 17263 1 281 . 1 1 23 23 LEU CD1 C 13 25.673 0.3 . 1 . . . . 21 LEU CD1 . 17263 1 282 . 1 1 23 23 LEU CD2 C 13 27.191 0.3 . 1 . . . . 21 LEU CD2 . 17263 1 283 . 1 1 23 23 LEU CG C 13 26.884 0.3 . 1 . . . . 21 LEU CG . 17263 1 284 . 1 1 23 23 LEU N N 15 122.659 0.3 . 1 . . . . 21 LEU N . 17263 1 285 . 1 1 24 24 PRO HA H 1 5.380 0.020 . 1 . . . . 22 PRO HA . 17263 1 286 . 1 1 24 24 PRO HB2 H 1 2.049 0.020 . 1 . . . . 22 PRO HB2 . 17263 1 287 . 1 1 24 24 PRO HB3 H 1 2.129 0.020 . 1 . . . . 22 PRO HB3 . 17263 1 288 . 1 1 24 24 PRO HD2 H 1 3.796 0.020 . 1 . . . . 22 PRO HD2 . 17263 1 289 . 1 1 24 24 PRO HD3 H 1 3.796 0.020 . 1 . . . . 22 PRO HD3 . 17263 1 290 . 1 1 24 24 PRO HG2 H 1 2.081 0.020 . 1 . . . . 22 PRO HG2 . 17263 1 291 . 1 1 24 24 PRO HG3 H 1 2.270 0.020 . 1 . . . . 22 PRO HG3 . 17263 1 292 . 1 1 24 24 PRO C C 13 176.787 0.3 . 1 . . . . 22 PRO C . 17263 1 293 . 1 1 24 24 PRO CA C 13 61.413 0.3 . 1 . . . . 22 PRO CA . 17263 1 294 . 1 1 24 24 PRO CB C 13 31.733 0.3 . 1 . . . . 22 PRO CB . 17263 1 295 . 1 1 24 24 PRO CD C 13 50.348 0.3 . 1 . . . . 22 PRO CD . 17263 1 296 . 1 1 24 24 PRO CG C 13 26.849 0.3 . 1 . . . . 22 PRO CG . 17263 1 297 . 1 1 25 25 LEU H H 1 8.386 0.020 . 1 . . . . 23 LEU H . 17263 1 298 . 1 1 25 25 LEU HA H 1 4.732 0.020 . 1 . . . . 23 LEU HA . 17263 1 299 . 1 1 25 25 LEU HB2 H 1 1.327 0.020 . 1 . . . . 23 LEU HB2 . 17263 1 300 . 1 1 25 25 LEU HB3 H 1 1.538 0.020 . 1 . . . . 23 LEU HB3 . 17263 1 301 . 1 1 25 25 LEU HD11 H 1 0.899 0.020 . 1 . . . . 23 LEU HD1 . 17263 1 302 . 1 1 25 25 LEU HD12 H 1 0.899 0.020 . 1 . . . . 23 LEU HD1 . 17263 1 303 . 1 1 25 25 LEU HD13 H 1 0.899 0.020 . 1 . . . . 23 LEU HD1 . 17263 1 304 . 1 1 25 25 LEU HD21 H 1 1.043 0.020 . 1 . . . . 23 LEU HD2 . 17263 1 305 . 1 1 25 25 LEU HD22 H 1 1.043 0.020 . 1 . . . . 23 LEU HD2 . 17263 1 306 . 1 1 25 25 LEU HD23 H 1 1.043 0.020 . 1 . . . . 23 LEU HD2 . 17263 1 307 . 1 1 25 25 LEU HG H 1 1.645 0.020 . 1 . . . . 23 LEU HG . 17263 1 308 . 1 1 25 25 LEU C C 13 174.479 0.3 . 1 . . . . 23 LEU C . 17263 1 309 . 1 1 25 25 LEU CA C 13 54.070 0.3 . 1 . . . . 23 LEU CA . 17263 1 310 . 1 1 25 25 LEU CB C 13 48.794 0.3 . 1 . . . . 23 LEU CB . 17263 1 311 . 1 1 25 25 LEU CD1 C 13 27.076 0.3 . 1 . . . . 23 LEU CD1 . 17263 1 312 . 1 1 25 25 LEU CD2 C 13 23.661 0.3 . 1 . . . . 23 LEU CD2 . 17263 1 313 . 1 1 25 25 LEU CG C 13 27.647 0.3 . 1 . . . . 23 LEU CG . 17263 1 314 . 1 1 25 25 LEU N N 15 123.382 0.3 . 1 . . . . 23 LEU N . 17263 1 315 . 1 1 26 26 SER H H 1 8.019 0.020 . 1 . . . . 24 SER H . 17263 1 316 . 1 1 26 26 SER HA H 1 5.926 0.020 . 1 . . . . 24 SER HA . 17263 1 317 . 1 1 26 26 SER HB2 H 1 3.527 0.020 . 1 . . . . 24 SER HB2 . 17263 1 318 . 1 1 26 26 SER HB3 H 1 3.642 0.020 . 1 . . . . 24 SER HB3 . 17263 1 319 . 1 1 26 26 SER C C 13 174.088 0.3 . 1 . . . . 24 SER C . 17263 1 320 . 1 1 26 26 SER CA C 13 56.250 0.3 . 1 . . . . 24 SER CA . 17263 1 321 . 1 1 26 26 SER CB C 13 66.217 0.3 . 1 . . . . 24 SER CB . 17263 1 322 . 1 1 26 26 SER N N 15 112.539 0.3 . 1 . . . . 24 SER N . 17263 1 323 . 1 1 27 27 GLY H H 1 8.593 0.020 . 1 . . . . 25 GLY H . 17263 1 324 . 1 1 27 27 GLY HA2 H 1 4.144 0.020 . 1 . . . . 25 GLY HA2 . 17263 1 325 . 1 1 27 27 GLY HA3 H 1 3.817 0.020 . 1 . . . . 25 GLY HA3 . 17263 1 326 . 1 1 27 27 GLY C C 13 170.456 0.3 . 1 . . . . 25 GLY C . 17263 1 327 . 1 1 27 27 GLY CA C 13 46.102 0.3 . 1 . . . . 25 GLY CA . 17263 1 328 . 1 1 27 27 GLY N N 15 107.624 0.3 . 1 . . . . 25 GLY N . 17263 1 329 . 1 1 28 28 GLU H H 1 8.869 0.020 . 1 . . . . 26 GLU H . 17263 1 330 . 1 1 28 28 GLU HA H 1 4.629 0.020 . 1 . . . . 26 GLU HA . 17263 1 331 . 1 1 28 28 GLU HB2 H 1 2.042 0.020 . 1 . . . . 26 GLU HB2 . 17263 1 332 . 1 1 28 28 GLU HB3 H 1 2.157 0.020 . 1 . . . . 26 GLU HB3 . 17263 1 333 . 1 1 28 28 GLU HG2 H 1 2.384 0.020 . 1 . . . . 26 GLU HG2 . 17263 1 334 . 1 1 28 28 GLU HG3 H 1 2.172 0.020 . 1 . . . . 26 GLU HG3 . 17263 1 335 . 1 1 28 28 GLU C C 13 176.816 0.3 . 1 . . . . 26 GLU C . 17263 1 336 . 1 1 28 28 GLU CA C 13 58.294 0.3 . 1 . . . . 26 GLU CA . 17263 1 337 . 1 1 28 28 GLU CB C 13 31.636 0.3 . 1 . . . . 26 GLU CB . 17263 1 338 . 1 1 28 28 GLU CG C 13 36.995 0.3 . 1 . . . . 26 GLU CG . 17263 1 339 . 1 1 28 28 GLU N N 15 121.726 0.3 . 1 . . . . 26 GLU N . 17263 1 340 . 1 1 29 29 LYS H H 1 8.587 0.020 . 1 . . . . 27 LYS H . 17263 1 341 . 1 1 29 29 LYS HA H 1 5.320 0.020 . 1 . . . . 27 LYS HA . 17263 1 342 . 1 1 29 29 LYS HB2 H 1 1.659 0.020 . 1 . . . . 27 LYS HB2 . 17263 1 343 . 1 1 29 29 LYS HB3 H 1 1.929 0.020 . 1 . . . . 27 LYS HB3 . 17263 1 344 . 1 1 29 29 LYS HD2 H 1 1.696 0.020 . 1 . . . . 27 LYS HD2 . 17263 1 345 . 1 1 29 29 LYS HD3 H 1 1.657 0.020 . 1 . . . . 27 LYS HD3 . 17263 1 346 . 1 1 29 29 LYS HE2 H 1 2.931 0.020 . 1 . . . . 27 LYS HE2 . 17263 1 347 . 1 1 29 29 LYS HE3 H 1 2.967 0.020 . 1 . . . . 27 LYS HE3 . 17263 1 348 . 1 1 29 29 LYS HG2 H 1 1.410 0.020 . 1 . . . . 27 LYS HG2 . 17263 1 349 . 1 1 29 29 LYS HG3 H 1 1.273 0.020 . 1 . . . . 27 LYS HG3 . 17263 1 350 . 1 1 29 29 LYS C C 13 177.929 0.3 . 1 . . . . 27 LYS C . 17263 1 351 . 1 1 29 29 LYS CA C 13 53.891 0.3 . 1 . . . . 27 LYS CA . 17263 1 352 . 1 1 29 29 LYS CB C 13 37.747 0.3 . 1 . . . . 27 LYS CB . 17263 1 353 . 1 1 29 29 LYS CD C 13 29.870 0.3 . 1 . . . . 27 LYS CD . 17263 1 354 . 1 1 29 29 LYS CE C 13 41.971 0.3 . 1 . . . . 27 LYS CE . 17263 1 355 . 1 1 29 29 LYS CG C 13 25.736 0.3 . 1 . . . . 27 LYS CG . 17263 1 356 . 1 1 29 29 LYS N N 15 117.191 0.3 . 1 . . . . 27 LYS N . 17263 1 357 . 1 1 30 30 VAL H H 1 8.225 0.020 . 1 . . . . 28 VAL H . 17263 1 358 . 1 1 30 30 VAL HA H 1 3.498 0.020 . 1 . . . . 28 VAL HA . 17263 1 359 . 1 1 30 30 VAL HB H 1 2.208 0.020 . 1 . . . . 28 VAL HB . 17263 1 360 . 1 1 30 30 VAL HG11 H 1 0.949 0.020 . 1 . . . . 28 VAL HG1 . 17263 1 361 . 1 1 30 30 VAL HG12 H 1 0.949 0.020 . 1 . . . . 28 VAL HG1 . 17263 1 362 . 1 1 30 30 VAL HG13 H 1 0.949 0.020 . 1 . . . . 28 VAL HG1 . 17263 1 363 . 1 1 30 30 VAL HG21 H 1 1.082 0.020 . 1 . . . . 28 VAL HG2 . 17263 1 364 . 1 1 30 30 VAL HG22 H 1 1.082 0.020 . 1 . . . . 28 VAL HG2 . 17263 1 365 . 1 1 30 30 VAL HG23 H 1 1.082 0.020 . 1 . . . . 28 VAL HG2 . 17263 1 366 . 1 1 30 30 VAL C C 13 177.920 0.3 . 1 . . . . 28 VAL C . 17263 1 367 . 1 1 30 30 VAL CA C 13 67.871 0.3 . 1 . . . . 28 VAL CA . 17263 1 368 . 1 1 30 30 VAL CB C 13 31.417 0.3 . 1 . . . . 28 VAL CB . 17263 1 369 . 1 1 30 30 VAL CG1 C 13 25.027 0.3 . 1 . . . . 28 VAL CG1 . 17263 1 370 . 1 1 30 30 VAL CG2 C 13 22.042 0.3 . 1 . . . . 28 VAL CG2 . 17263 1 371 . 1 1 30 30 VAL N N 15 120.396 0.3 . 1 . . . . 28 VAL N . 17263 1 372 . 1 1 31 31 ILE H H 1 8.408 0.020 . 1 . . . . 29 ILE H . 17263 1 373 . 1 1 31 31 ILE HA H 1 4.157 0.020 . 1 . . . . 29 ILE HA . 17263 1 374 . 1 1 31 31 ILE HB H 1 2.141 0.020 . 1 . . . . 29 ILE HB . 17263 1 375 . 1 1 31 31 ILE HD11 H 1 1.127 0.020 . 1 . . . . 29 ILE HD1 . 17263 1 376 . 1 1 31 31 ILE HD12 H 1 1.127 0.020 . 1 . . . . 29 ILE HD1 . 17263 1 377 . 1 1 31 31 ILE HD13 H 1 1.127 0.020 . 1 . . . . 29 ILE HD1 . 17263 1 378 . 1 1 31 31 ILE HG12 H 1 1.354 0.020 . 1 . . . . 29 ILE HG12 . 17263 1 379 . 1 1 31 31 ILE HG13 H 1 1.586 0.020 . 1 . . . . 29 ILE HG13 . 17263 1 380 . 1 1 31 31 ILE HG21 H 1 0.976 0.020 . 1 . . . . 29 ILE HG2 . 17263 1 381 . 1 1 31 31 ILE HG22 H 1 0.976 0.020 . 1 . . . . 29 ILE HG2 . 17263 1 382 . 1 1 31 31 ILE HG23 H 1 0.976 0.020 . 1 . . . . 29 ILE HG2 . 17263 1 383 . 1 1 31 31 ILE C C 13 174.229 0.3 . 1 . . . . 29 ILE C . 17263 1 384 . 1 1 31 31 ILE CA C 13 62.451 0.3 . 1 . . . . 29 ILE CA . 17263 1 385 . 1 1 31 31 ILE CB C 13 37.753 0.3 . 1 . . . . 29 ILE CB . 17263 1 386 . 1 1 31 31 ILE CD1 C 13 14.845 0.3 . 1 . . . . 29 ILE CD1 . 17263 1 387 . 1 1 31 31 ILE CG1 C 13 28.945 0.3 . 1 . . . . 29 ILE CG1 . 17263 1 388 . 1 1 31 31 ILE CG2 C 13 17.492 0.3 . 1 . . . . 29 ILE CG2 . 17263 1 389 . 1 1 31 31 ILE N N 15 115.758 0.3 . 1 . . . . 29 ILE N . 17263 1 390 . 1 1 32 32 ASP H H 1 7.034 0.020 . 1 . . . . 30 ASP H . 17263 1 391 . 1 1 32 32 ASP HA H 1 4.413 0.020 . 1 . . . . 30 ASP HA . 17263 1 392 . 1 1 32 32 ASP HB2 H 1 2.955 0.020 . 1 . . . . 30 ASP HB2 . 17263 1 393 . 1 1 32 32 ASP HB3 H 1 3.057 0.020 . 1 . . . . 30 ASP HB3 . 17263 1 394 . 1 1 32 32 ASP C C 13 179.592 0.3 . 1 . . . . 30 ASP C . 17263 1 395 . 1 1 32 32 ASP CA C 13 57.769 0.3 . 1 . . . . 30 ASP CA . 17263 1 396 . 1 1 32 32 ASP CB C 13 42.017 0.3 . 1 . . . . 30 ASP CB . 17263 1 397 . 1 1 32 32 ASP N N 15 120.677 0.3 . 1 . . . . 30 ASP N . 17263 1 398 . 1 1 33 33 VAL H H 1 7.247 0.020 . 1 . . . . 31 VAL H . 17263 1 399 . 1 1 33 33 VAL HA H 1 3.712 0.020 . 1 . . . . 31 VAL HA . 17263 1 400 . 1 1 33 33 VAL HB H 1 2.062 0.020 . 1 . . . . 31 VAL HB . 17263 1 401 . 1 1 33 33 VAL HG11 H 1 0.737 0.020 . 1 . . . . 31 VAL HG1 . 17263 1 402 . 1 1 33 33 VAL HG12 H 1 0.737 0.020 . 1 . . . . 31 VAL HG1 . 17263 1 403 . 1 1 33 33 VAL HG13 H 1 0.737 0.020 . 1 . . . . 31 VAL HG1 . 17263 1 404 . 1 1 33 33 VAL HG21 H 1 0.734 0.020 . 1 . . . . 31 VAL HG2 . 17263 1 405 . 1 1 33 33 VAL HG22 H 1 0.734 0.020 . 1 . . . . 31 VAL HG2 . 17263 1 406 . 1 1 33 33 VAL HG23 H 1 0.734 0.020 . 1 . . . . 31 VAL HG2 . 17263 1 407 . 1 1 33 33 VAL C C 13 177.331 0.3 . 1 . . . . 31 VAL C . 17263 1 408 . 1 1 33 33 VAL CA C 13 65.740 0.3 . 1 . . . . 31 VAL CA . 17263 1 409 . 1 1 33 33 VAL CB C 13 31.537 0.3 . 1 . . . . 31 VAL CB . 17263 1 410 . 1 1 33 33 VAL CG1 C 13 21.976 0.3 . 1 . . . . 31 VAL CG1 . 17263 1 411 . 1 1 33 33 VAL CG2 C 13 23.223 0.3 . 1 . . . . 31 VAL CG2 . 17263 1 412 . 1 1 33 33 VAL N N 15 117.627 0.3 . 1 . . . . 31 VAL N . 17263 1 413 . 1 1 34 34 LEU H H 1 8.228 0.020 . 1 . . . . 32 LEU H . 17263 1 414 . 1 1 34 34 LEU HA H 1 4.046 0.020 . 1 . . . . 32 LEU HA . 17263 1 415 . 1 1 34 34 LEU HB2 H 1 2.149 0.020 . 1 . . . . 32 LEU HB2 . 17263 1 416 . 1 1 34 34 LEU HB3 H 1 1.413 0.020 . 1 . . . . 32 LEU HB3 . 17263 1 417 . 1 1 34 34 LEU HD11 H 1 0.654 0.020 . 2 . . . . 32 LEU HD1 . 17263 1 418 . 1 1 34 34 LEU HD12 H 1 0.654 0.020 . 2 . . . . 32 LEU HD1 . 17263 1 419 . 1 1 34 34 LEU HD13 H 1 0.654 0.020 . 2 . . . . 32 LEU HD1 . 17263 1 420 . 1 1 34 34 LEU HD21 H 1 0.625 0.020 . 2 . . . . 32 LEU HD2 . 17263 1 421 . 1 1 34 34 LEU HD22 H 1 0.625 0.020 . 2 . . . . 32 LEU HD2 . 17263 1 422 . 1 1 34 34 LEU HD23 H 1 0.625 0.020 . 2 . . . . 32 LEU HD2 . 17263 1 423 . 1 1 34 34 LEU HG H 1 1.936 0.020 . 1 . . . . 32 LEU HG . 17263 1 424 . 1 1 34 34 LEU C C 13 179.919 0.3 . 1 . . . . 32 LEU C . 17263 1 425 . 1 1 34 34 LEU CA C 13 57.803 0.3 . 1 . . . . 32 LEU CA . 17263 1 426 . 1 1 34 34 LEU CB C 13 41.678 0.3 . 1 . . . . 32 LEU CB . 17263 1 427 . 1 1 34 34 LEU CD1 C 13 26.421 0.3 . 1 . . . . 32 LEU CD1 . 17263 1 428 . 1 1 34 34 LEU CD2 C 13 21.508 0.3 . 1 . . . . 32 LEU CD2 . 17263 1 429 . 1 1 34 34 LEU CG C 13 26.217 0.3 . 1 . . . . 32 LEU CG . 17263 1 430 . 1 1 34 34 LEU N N 15 118.751 0.3 . 1 . . . . 32 LEU N . 17263 1 431 . 1 1 35 35 LEU H H 1 8.682 0.020 . 1 . . . . 33 LEU H . 17263 1 432 . 1 1 35 35 LEU HA H 1 4.199 0.020 . 1 . . . . 33 LEU HA . 17263 1 433 . 1 1 35 35 LEU HB2 H 1 1.929 0.020 . 1 . . . . 33 LEU HB2 . 17263 1 434 . 1 1 35 35 LEU HB3 H 1 1.506 0.020 . 1 . . . . 33 LEU HB3 . 17263 1 435 . 1 1 35 35 LEU HD11 H 1 0.649 0.020 . 2 . . . . 33 LEU HD1 . 17263 1 436 . 1 1 35 35 LEU HD12 H 1 0.649 0.020 . 2 . . . . 33 LEU HD1 . 17263 1 437 . 1 1 35 35 LEU HD13 H 1 0.649 0.020 . 2 . . . . 33 LEU HD1 . 17263 1 438 . 1 1 35 35 LEU HD21 H 1 0.845 0.020 . 2 . . . . 33 LEU HD2 . 17263 1 439 . 1 1 35 35 LEU HD22 H 1 0.845 0.020 . 2 . . . . 33 LEU HD2 . 17263 1 440 . 1 1 35 35 LEU HD23 H 1 0.845 0.020 . 2 . . . . 33 LEU HD2 . 17263 1 441 . 1 1 35 35 LEU HG H 1 1.815 0.020 . 1 . . . . 33 LEU HG . 17263 1 442 . 1 1 35 35 LEU C C 13 178.809 0.3 . 1 . . . . 33 LEU C . 17263 1 443 . 1 1 35 35 LEU CA C 13 58.061 0.3 . 1 . . . . 33 LEU CA . 17263 1 444 . 1 1 35 35 LEU CB C 13 40.917 0.3 . 1 . . . . 33 LEU CB . 17263 1 445 . 1 1 35 35 LEU CD1 C 13 22.367 0.3 . 1 . . . . 33 LEU CD1 . 17263 1 446 . 1 1 35 35 LEU CD2 C 13 25.499 0.3 . 1 . . . . 33 LEU CD2 . 17263 1 447 . 1 1 35 35 LEU CG C 13 26.759 0.3 . 1 . . . . 33 LEU CG . 17263 1 448 . 1 1 35 35 LEU N N 15 121.103 0.3 . 1 . . . . 33 LEU N . 17263 1 449 . 1 1 36 36 SER H H 1 7.817 0.020 . 1 . . . . 34 SER H . 17263 1 450 . 1 1 36 36 SER HA H 1 4.318 0.020 . 1 . . . . 34 SER HA . 17263 1 451 . 1 1 36 36 SER HB2 H 1 4.052 0.020 . 1 . . . . 34 SER HB2 . 17263 1 452 . 1 1 36 36 SER HB3 H 1 4.142 0.020 . 1 . . . . 34 SER HB3 . 17263 1 453 . 1 1 36 36 SER C C 13 177.441 0.3 . 1 . . . . 34 SER C . 17263 1 454 . 1 1 36 36 SER CA C 13 61.890 0.3 . 1 . . . . 34 SER CA . 17263 1 455 . 1 1 36 36 SER CB C 13 63.185 0.3 . 1 . . . . 34 SER CB . 17263 1 456 . 1 1 36 36 SER N N 15 115.179 0.3 . 1 . . . . 34 SER N . 17263 1 457 . 1 1 37 37 LEU H H 1 8.659 0.020 . 1 . . . . 35 LEU H . 17263 1 458 . 1 1 37 37 LEU HA H 1 4.014 0.020 . 1 . . . . 35 LEU HA . 17263 1 459 . 1 1 37 37 LEU HB2 H 1 1.557 0.020 . 1 . . . . 35 LEU HB2 . 17263 1 460 . 1 1 37 37 LEU HB3 H 1 2.198 0.020 . 1 . . . . 35 LEU HB3 . 17263 1 461 . 1 1 37 37 LEU HD11 H 1 0.732 0.020 . 1 . . . . 35 LEU HD1 . 17263 1 462 . 1 1 37 37 LEU HD12 H 1 0.732 0.020 . 1 . . . . 35 LEU HD1 . 17263 1 463 . 1 1 37 37 LEU HD13 H 1 0.732 0.020 . 1 . . . . 35 LEU HD1 . 17263 1 464 . 1 1 37 37 LEU HD21 H 1 0.942 0.020 . 1 . . . . 35 LEU HD2 . 17263 1 465 . 1 1 37 37 LEU HD22 H 1 0.942 0.020 . 1 . . . . 35 LEU HD2 . 17263 1 466 . 1 1 37 37 LEU HD23 H 1 0.942 0.020 . 1 . . . . 35 LEU HD2 . 17263 1 467 . 1 1 37 37 LEU HG H 1 1.553 0.020 . 1 . . . . 35 LEU HG . 17263 1 468 . 1 1 37 37 LEU C C 13 177.804 0.3 . 1 . . . . 35 LEU C . 17263 1 469 . 1 1 37 37 LEU CA C 13 58.626 0.3 . 1 . . . . 35 LEU CA . 17263 1 470 . 1 1 37 37 LEU CB C 13 42.497 0.3 . 1 . . . . 35 LEU CB . 17263 1 471 . 1 1 37 37 LEU CD1 C 13 27.100 0.3 . 1 . . . . 35 LEU CD1 . 17263 1 472 . 1 1 37 37 LEU CD2 C 13 24.698 0.3 . 1 . . . . 35 LEU CD2 . 17263 1 473 . 1 1 37 37 LEU CG C 13 26.988 0.3 . 1 . . . . 35 LEU CG . 17263 1 474 . 1 1 37 37 LEU N N 15 121.198 0.3 . 1 . . . . 35 LEU N . 17263 1 475 . 1 1 38 38 THR H H 1 8.092 0.020 . 1 . . . . 36 THR H . 17263 1 476 . 1 1 38 38 THR HA H 1 4.059 0.020 . 1 . . . . 36 THR HA . 17263 1 477 . 1 1 38 38 THR HB H 1 4.078 0.020 . 1 . . . . 36 THR HB . 17263 1 478 . 1 1 38 38 THR HG21 H 1 1.294 0.020 . 1 . . . . 36 THR HG2 . 17263 1 479 . 1 1 38 38 THR HG22 H 1 1.294 0.020 . 1 . . . . 36 THR HG2 . 17263 1 480 . 1 1 38 38 THR HG23 H 1 1.294 0.020 . 1 . . . . 36 THR HG2 . 17263 1 481 . 1 1 38 38 THR C C 13 175.723 0.3 . 1 . . . . 36 THR C . 17263 1 482 . 1 1 38 38 THR CA C 13 64.076 0.3 . 1 . . . . 36 THR CA . 17263 1 483 . 1 1 38 38 THR CB C 13 69.154 0.3 . 1 . . . . 36 THR CB . 17263 1 484 . 1 1 38 38 THR CG2 C 13 23.221 0.3 . 1 . . . . 36 THR CG2 . 17263 1 485 . 1 1 38 38 THR N N 15 106.941 0.3 . 1 . . . . 36 THR N . 17263 1 486 . 1 1 39 39 ASP H H 1 7.919 0.020 . 1 . . . . 37 ASP H . 17263 1 487 . 1 1 39 39 ASP HA H 1 4.504 0.020 . 1 . . . . 37 ASP HA . 17263 1 488 . 1 1 39 39 ASP HB2 H 1 2.872 0.020 . 1 . . . . 37 ASP HB2 . 17263 1 489 . 1 1 39 39 ASP HB3 H 1 2.653 0.020 . 1 . . . . 37 ASP HB3 . 17263 1 490 . 1 1 39 39 ASP C C 13 177.707 0.3 . 1 . . . . 37 ASP C . 17263 1 491 . 1 1 39 39 ASP CA C 13 56.609 0.3 . 1 . . . . 37 ASP CA . 17263 1 492 . 1 1 39 39 ASP CB C 13 41.313 0.3 . 1 . . . . 37 ASP CB . 17263 1 493 . 1 1 39 39 ASP N N 15 122.779 0.3 . 1 . . . . 37 ASP N . 17263 1 494 . 1 1 40 40 LYS H H 1 7.388 0.020 . 1 . . . . 38 LYS H . 17263 1 495 . 1 1 40 40 LYS HA H 1 3.847 0.020 . 1 . . . . 38 LYS HA . 17263 1 496 . 1 1 40 40 LYS HB2 H 1 1.418 0.020 . 1 . . . . 38 LYS HB2 . 17263 1 497 . 1 1 40 40 LYS HB3 H 1 1.672 0.020 . 1 . . . . 38 LYS HB3 . 17263 1 498 . 1 1 40 40 LYS HD2 H 1 1.501 0.020 . 1 . . . . 38 LYS HD2 . 17263 1 499 . 1 1 40 40 LYS HD3 H 1 1.501 0.020 . 1 . . . . 38 LYS HD3 . 17263 1 500 . 1 1 40 40 LYS HE2 H 1 2.946 0.020 . 1 . . . . 38 LYS HE2 . 17263 1 501 . 1 1 40 40 LYS HE3 H 1 2.946 0.020 . 1 . . . . 38 LYS HE3 . 17263 1 502 . 1 1 40 40 LYS HG2 H 1 0.890 0.020 . 1 . . . . 38 LYS HG2 . 17263 1 503 . 1 1 40 40 LYS HG3 H 1 1.239 0.020 . 1 . . . . 38 LYS HG3 . 17263 1 504 . 1 1 40 40 LYS C C 13 176.633 0.3 . 1 . . . . 38 LYS C . 17263 1 505 . 1 1 40 40 LYS CA C 13 58.602 0.3 . 1 . . . . 38 LYS CA . 17263 1 506 . 1 1 40 40 LYS CB C 13 33.324 0.3 . 1 . . . . 38 LYS CB . 17263 1 507 . 1 1 40 40 LYS CD C 13 29.233 0.3 . 1 . . . . 38 LYS CD . 17263 1 508 . 1 1 40 40 LYS CE C 13 41.971 0.3 . 1 . . . . 38 LYS CE . 17263 1 509 . 1 1 40 40 LYS CG C 13 24.997 0.3 . 1 . . . . 38 LYS CG . 17263 1 510 . 1 1 40 40 LYS N N 15 118.991 0.3 . 1 . . . . 38 LYS N . 17263 1 511 . 1 1 41 41 TYR H H 1 7.981 0.020 . 1 . . . . 39 TYR H . 17263 1 512 . 1 1 41 41 TYR HA H 1 5.041 0.020 . 1 . . . . 39 TYR HA . 17263 1 513 . 1 1 41 41 TYR HB2 H 1 2.771 0.020 . 1 . . . . 39 TYR HB2 . 17263 1 514 . 1 1 41 41 TYR HB3 H 1 2.909 0.020 . 1 . . . . 39 TYR HB3 . 17263 1 515 . 1 1 41 41 TYR HD1 H 1 7.194 0.020 . 1 . . . . 39 TYR HD1 . 17263 1 516 . 1 1 41 41 TYR HD2 H 1 7.194 0.020 . 1 . . . . 39 TYR HD2 . 17263 1 517 . 1 1 41 41 TYR HE1 H 1 6.748 0.020 . 1 . . . . 39 TYR HE1 . 17263 1 518 . 1 1 41 41 TYR HE2 H 1 6.748 0.020 . 1 . . . . 39 TYR HE2 . 17263 1 519 . 1 1 41 41 TYR CA C 13 54.484 0.3 . 1 . . . . 39 TYR CA . 17263 1 520 . 1 1 41 41 TYR CB C 13 38.092 0.3 . 1 . . . . 39 TYR CB . 17263 1 521 . 1 1 41 41 TYR CD1 C 13 133.454 0.3 . 1 . . . . 39 TYR CD1 . 17263 1 522 . 1 1 41 41 TYR CD2 C 13 133.454 0.3 . 1 . . . . 39 TYR CD2 . 17263 1 523 . 1 1 41 41 TYR CE1 C 13 118.054 0.3 . 1 . . . . 39 TYR CE1 . 17263 1 524 . 1 1 41 41 TYR CE2 C 13 118.054 0.3 . 1 . . . . 39 TYR CE2 . 17263 1 525 . 1 1 41 41 TYR N N 15 115.334 0.3 . 1 . . . . 39 TYR N . 17263 1 526 . 1 1 42 42 PRO HA H 1 4.682 0.020 . 1 . . . . 40 PRO HA . 17263 1 527 . 1 1 42 42 PRO HB2 H 1 2.006 0.020 . 1 . . . . 40 PRO HB2 . 17263 1 528 . 1 1 42 42 PRO HB3 H 1 2.478 0.020 . 1 . . . . 40 PRO HB3 . 17263 1 529 . 1 1 42 42 PRO HD2 H 1 3.708 0.020 . 1 . . . . 40 PRO HD2 . 17263 1 530 . 1 1 42 42 PRO HD3 H 1 3.377 0.020 . 1 . . . . 40 PRO HD3 . 17263 1 531 . 1 1 42 42 PRO HG2 H 1 2.048 0.020 . 1 . . . . 40 PRO HG2 . 17263 1 532 . 1 1 42 42 PRO HG3 H 1 2.048 0.020 . 1 . . . . 40 PRO HG3 . 17263 1 533 . 1 1 42 42 PRO C C 13 179.334 0.3 . 1 . . . . 40 PRO C . 17263 1 534 . 1 1 42 42 PRO CA C 13 64.997 0.3 . 1 . . . . 40 PRO CA . 17263 1 535 . 1 1 42 42 PRO CB C 13 31.804 0.3 . 1 . . . . 40 PRO CB . 17263 1 536 . 1 1 42 42 PRO CD C 13 50.397 0.3 . 1 . . . . 40 PRO CD . 17263 1 537 . 1 1 42 42 PRO CG C 13 27.386 0.3 . 1 . . . . 40 PRO CG . 17263 1 538 . 1 1 43 43 ALA H H 1 8.720 0.020 . 1 . . . . 41 ALA H . 17263 1 539 . 1 1 43 43 ALA HA H 1 4.274 0.020 . 1 . . . . 41 ALA HA . 17263 1 540 . 1 1 43 43 ALA HB1 H 1 1.443 0.020 . 1 . . . . 41 ALA HB . 17263 1 541 . 1 1 43 43 ALA HB2 H 1 1.443 0.020 . 1 . . . . 41 ALA HB . 17263 1 542 . 1 1 43 43 ALA HB3 H 1 1.443 0.020 . 1 . . . . 41 ALA HB . 17263 1 543 . 1 1 43 43 ALA C C 13 180.129 0.3 . 1 . . . . 41 ALA C . 17263 1 544 . 1 1 43 43 ALA CA C 13 54.626 0.3 . 1 . . . . 41 ALA CA . 17263 1 545 . 1 1 43 43 ALA CB C 13 18.557 0.3 . 1 . . . . 41 ALA CB . 17263 1 546 . 1 1 43 43 ALA N N 15 120.128 0.3 . 1 . . . . 41 ALA N . 17263 1 547 . 1 1 44 44 LEU H H 1 8.519 0.020 . 1 . . . . 42 LEU H . 17263 1 548 . 1 1 44 44 LEU HA H 1 4.286 0.020 . 1 . . . . 42 LEU HA . 17263 1 549 . 1 1 44 44 LEU HB2 H 1 1.955 0.020 . 1 . . . . 42 LEU HB2 . 17263 1 550 . 1 1 44 44 LEU HB3 H 1 1.477 0.020 . 1 . . . . 42 LEU HB3 . 17263 1 551 . 1 1 44 44 LEU HD11 H 1 0.810 0.020 . 2 . . . . 42 LEU HD1 . 17263 1 552 . 1 1 44 44 LEU HD12 H 1 0.810 0.020 . 2 . . . . 42 LEU HD1 . 17263 1 553 . 1 1 44 44 LEU HD13 H 1 0.810 0.020 . 2 . . . . 42 LEU HD1 . 17263 1 554 . 1 1 44 44 LEU HD21 H 1 0.798 0.020 . 2 . . . . 42 LEU HD2 . 17263 1 555 . 1 1 44 44 LEU HD22 H 1 0.798 0.020 . 2 . . . . 42 LEU HD2 . 17263 1 556 . 1 1 44 44 LEU HD23 H 1 0.798 0.020 . 2 . . . . 42 LEU HD2 . 17263 1 557 . 1 1 44 44 LEU HG H 1 1.657 0.020 . 1 . . . . 42 LEU HG . 17263 1 558 . 1 1 44 44 LEU C C 13 178.692 0.3 . 1 . . . . 42 LEU C . 17263 1 559 . 1 1 44 44 LEU CA C 13 54.837 0.3 . 1 . . . . 42 LEU CA . 17263 1 560 . 1 1 44 44 LEU CB C 13 42.706 0.3 . 1 . . . . 42 LEU CB . 17263 1 561 . 1 1 44 44 LEU CD1 C 13 23.470 0.3 . 1 . . . . 42 LEU CD1 . 17263 1 562 . 1 1 44 44 LEU CD2 C 13 25.617 0.3 . 1 . . . . 42 LEU CD2 . 17263 1 563 . 1 1 44 44 LEU CG C 13 27.259 0.3 . 1 . . . . 42 LEU CG . 17263 1 564 . 1 1 44 44 LEU N N 15 114.136 0.3 . 1 . . . . 42 LEU N . 17263 1 565 . 1 1 45 45 LYS H H 1 7.929 0.020 . 1 . . . . 43 LYS H . 17263 1 566 . 1 1 45 45 LYS HA H 1 3.782 0.020 . 1 . . . . 43 LYS HA . 17263 1 567 . 1 1 45 45 LYS HB2 H 1 1.595 0.020 . 1 . . . . 43 LYS HB2 . 17263 1 568 . 1 1 45 45 LYS HB3 H 1 1.766 0.020 . 1 . . . . 43 LYS HB3 . 17263 1 569 . 1 1 45 45 LYS HD2 H 1 1.385 0.020 . 1 . . . . 43 LYS HD2 . 17263 1 570 . 1 1 45 45 LYS HD3 H 1 1.551 0.020 . 1 . . . . 43 LYS HD3 . 17263 1 571 . 1 1 45 45 LYS HE2 H 1 2.613 0.020 . 1 . . . . 43 LYS HE2 . 17263 1 572 . 1 1 45 45 LYS HE3 H 1 2.669 0.020 . 1 . . . . 43 LYS HE3 . 17263 1 573 . 1 1 45 45 LYS HG2 H 1 0.600 0.020 . 1 . . . . 43 LYS HG2 . 17263 1 574 . 1 1 45 45 LYS HG3 H 1 0.893 0.020 . 1 . . . . 43 LYS HG3 . 17263 1 575 . 1 1 45 45 LYS C C 13 176.517 0.3 . 1 . . . . 43 LYS C . 17263 1 576 . 1 1 45 45 LYS CA C 13 62.119 0.3 . 1 . . . . 43 LYS CA . 17263 1 577 . 1 1 45 45 LYS CB C 13 33.227 0.3 . 1 . . . . 43 LYS CB . 17263 1 578 . 1 1 45 45 LYS CD C 13 29.658 0.3 . 1 . . . . 43 LYS CD . 17263 1 579 . 1 1 45 45 LYS CE C 13 42.115 0.3 . 1 . . . . 43 LYS CE . 17263 1 580 . 1 1 45 45 LYS CG C 13 25.122 0.3 . 1 . . . . 43 LYS CG . 17263 1 581 . 1 1 45 45 LYS N N 15 121.842 0.3 . 1 . . . . 43 LYS N . 17263 1 582 . 1 1 46 46 TYR H H 1 8.410 0.020 . 1 . . . . 44 TYR H . 17263 1 583 . 1 1 46 46 TYR HA H 1 5.786 0.020 . 1 . . . . 44 TYR HA . 17263 1 584 . 1 1 46 46 TYR HB2 H 1 2.694 0.020 . 1 . . . . 44 TYR HB2 . 17263 1 585 . 1 1 46 46 TYR HB3 H 1 3.576 0.020 . 1 . . . . 44 TYR HB3 . 17263 1 586 . 1 1 46 46 TYR HD1 H 1 7.194 0.020 . 1 . . . . 44 TYR HD1 . 17263 1 587 . 1 1 46 46 TYR HD2 H 1 7.194 0.020 . 1 . . . . 44 TYR HD2 . 17263 1 588 . 1 1 46 46 TYR HE1 H 1 6.841 0.020 . 1 . . . . 44 TYR HE1 . 17263 1 589 . 1 1 46 46 TYR HE2 H 1 6.841 0.020 . 1 . . . . 44 TYR HE2 . 17263 1 590 . 1 1 46 46 TYR C C 13 176.515 0.3 . 1 . . . . 44 TYR C . 17263 1 591 . 1 1 46 46 TYR CA C 13 57.550 0.3 . 1 . . . . 44 TYR CA . 17263 1 592 . 1 1 46 46 TYR CB C 13 36.091 0.3 . 1 . . . . 44 TYR CB . 17263 1 593 . 1 1 46 46 TYR CD1 C 13 133.027 0.3 . 1 . . . . 44 TYR CD1 . 17263 1 594 . 1 1 46 46 TYR CD2 C 13 133.027 0.3 . 1 . . . . 44 TYR CD2 . 17263 1 595 . 1 1 46 46 TYR CE1 C 13 118.072 0.3 . 1 . . . . 44 TYR CE1 . 17263 1 596 . 1 1 46 46 TYR CE2 C 13 118.072 0.3 . 1 . . . . 44 TYR CE2 . 17263 1 597 . 1 1 46 46 TYR N N 15 111.908 0.3 . 1 . . . . 44 TYR N . 17263 1 598 . 1 1 47 47 VAL H H 1 7.097 0.020 . 1 . . . . 45 VAL H . 17263 1 599 . 1 1 47 47 VAL HA H 1 4.026 0.020 . 1 . . . . 45 VAL HA . 17263 1 600 . 1 1 47 47 VAL HB H 1 2.019 0.020 . 1 . . . . 45 VAL HB . 17263 1 601 . 1 1 47 47 VAL HG11 H 1 0.894 0.020 . 2 . . . . 45 VAL HG1 . 17263 1 602 . 1 1 47 47 VAL HG12 H 1 0.894 0.020 . 2 . . . . 45 VAL HG1 . 17263 1 603 . 1 1 47 47 VAL HG13 H 1 0.894 0.020 . 2 . . . . 45 VAL HG1 . 17263 1 604 . 1 1 47 47 VAL HG21 H 1 1.020 0.020 . 2 . . . . 45 VAL HG2 . 17263 1 605 . 1 1 47 47 VAL HG22 H 1 1.020 0.020 . 2 . . . . 45 VAL HG2 . 17263 1 606 . 1 1 47 47 VAL HG23 H 1 1.020 0.020 . 2 . . . . 45 VAL HG2 . 17263 1 607 . 1 1 47 47 VAL C C 13 175.809 0.3 . 1 . . . . 45 VAL C . 17263 1 608 . 1 1 47 47 VAL CA C 13 64.011 0.3 . 1 . . . . 45 VAL CA . 17263 1 609 . 1 1 47 47 VAL CB C 13 32.511 0.3 . 1 . . . . 45 VAL CB . 17263 1 610 . 1 1 47 47 VAL CG1 C 13 21.513 0.3 . 1 . . . . 45 VAL CG1 . 17263 1 611 . 1 1 47 47 VAL CG2 C 13 21.771 0.3 . 1 . . . . 45 VAL CG2 . 17263 1 612 . 1 1 47 47 VAL N N 15 117.559 0.3 . 1 . . . . 45 VAL N . 17263 1 613 . 1 1 48 48 ILE H H 1 7.054 0.020 . 1 . . . . 46 ILE H . 17263 1 614 . 1 1 48 48 ILE HA H 1 3.618 0.020 . 1 . . . . 46 ILE HA . 17263 1 615 . 1 1 48 48 ILE HB H 1 1.272 0.020 . 1 . . . . 46 ILE HB . 17263 1 616 . 1 1 48 48 ILE HD11 H 1 0.581 0.020 . 1 . . . . 46 ILE HD1 . 17263 1 617 . 1 1 48 48 ILE HD12 H 1 0.581 0.020 . 1 . . . . 46 ILE HD1 . 17263 1 618 . 1 1 48 48 ILE HD13 H 1 0.581 0.020 . 1 . . . . 46 ILE HD1 . 17263 1 619 . 1 1 48 48 ILE HG12 H 1 0.821 0.020 . 1 . . . . 46 ILE HG12 . 17263 1 620 . 1 1 48 48 ILE HG13 H 1 1.434 0.020 . 1 . . . . 46 ILE HG13 . 17263 1 621 . 1 1 48 48 ILE HG21 H 1 -0.098 0.020 . 1 . . . . 46 ILE HG2 . 17263 1 622 . 1 1 48 48 ILE HG22 H 1 -0.098 0.020 . 1 . . . . 46 ILE HG2 . 17263 1 623 . 1 1 48 48 ILE HG23 H 1 -0.098 0.020 . 1 . . . . 46 ILE HG2 . 17263 1 624 . 1 1 48 48 ILE C C 13 174.385 0.3 . 1 . . . . 46 ILE C . 17263 1 625 . 1 1 48 48 ILE CA C 13 63.237 0.3 . 1 . . . . 46 ILE CA . 17263 1 626 . 1 1 48 48 ILE CB C 13 39.160 0.3 . 1 . . . . 46 ILE CB . 17263 1 627 . 1 1 48 48 ILE CD1 C 13 13.468 0.3 . 1 . . . . 46 ILE CD1 . 17263 1 628 . 1 1 48 48 ILE CG1 C 13 28.751 0.3 . 1 . . . . 46 ILE CG1 . 17263 1 629 . 1 1 48 48 ILE CG2 C 13 17.201 0.3 . 1 . . . . 46 ILE CG2 . 17263 1 630 . 1 1 48 48 ILE N N 15 116.095 0.3 . 1 . . . . 46 ILE N . 17263 1 631 . 1 1 49 49 PHE H H 1 8.185 0.020 . 1 . . . . 47 PHE H . 17263 1 632 . 1 1 49 49 PHE HA H 1 5.368 0.020 . 1 . . . . 47 PHE HA . 17263 1 633 . 1 1 49 49 PHE HB2 H 1 2.855 0.020 . 1 . . . . 47 PHE HB2 . 17263 1 634 . 1 1 49 49 PHE HB3 H 1 3.243 0.020 . 1 . . . . 47 PHE HB3 . 17263 1 635 . 1 1 49 49 PHE HD1 H 1 7.203 0.020 . 1 . . . . 47 PHE HD1 . 17263 1 636 . 1 1 49 49 PHE HD2 H 1 7.203 0.020 . 1 . . . . 47 PHE HD2 . 17263 1 637 . 1 1 49 49 PHE HE1 H 1 6.966 0.020 . 1 . . . . 47 PHE HE1 . 17263 1 638 . 1 1 49 49 PHE HE2 H 1 6.966 0.020 . 1 . . . . 47 PHE HE2 . 17263 1 639 . 1 1 49 49 PHE HZ H 1 6.871 0.020 . 1 . . . . 47 PHE HZ . 17263 1 640 . 1 1 49 49 PHE C C 13 175.893 0.3 . 1 . . . . 47 PHE C . 17263 1 641 . 1 1 49 49 PHE CA C 13 56.674 0.3 . 1 . . . . 47 PHE CA . 17263 1 642 . 1 1 49 49 PHE CB C 13 40.903 0.3 . 1 . . . . 47 PHE CB . 17263 1 643 . 1 1 49 49 PHE CD1 C 13 132.392 0.3 . 1 . . . . 47 PHE CD1 . 17263 1 644 . 1 1 49 49 PHE CD2 C 13 132.392 0.3 . 1 . . . . 47 PHE CD2 . 17263 1 645 . 1 1 49 49 PHE CE1 C 13 130.267 0.3 . 1 . . . . 47 PHE CE1 . 17263 1 646 . 1 1 49 49 PHE CE2 C 13 130.267 0.3 . 1 . . . . 47 PHE CE2 . 17263 1 647 . 1 1 49 49 PHE CZ C 13 128.836 0.3 . 1 . . . . 47 PHE CZ . 17263 1 648 . 1 1 49 49 PHE N N 15 115.746 0.3 . 1 . . . . 47 PHE N . 17263 1 649 . 1 1 50 50 GLU H H 1 8.831 0.020 . 1 . . . . 48 GLU H . 17263 1 650 . 1 1 50 50 GLU HA H 1 4.370 0.020 . 1 . . . . 48 GLU HA . 17263 1 651 . 1 1 50 50 GLU HB2 H 1 1.872 0.020 . 1 . . . . 48 GLU HB2 . 17263 1 652 . 1 1 50 50 GLU HB3 H 1 2.018 0.020 . 1 . . . . 48 GLU HB3 . 17263 1 653 . 1 1 50 50 GLU HG2 H 1 2.229 0.020 . 1 . . . . 48 GLU HG2 . 17263 1 654 . 1 1 50 50 GLU HG3 H 1 2.229 0.020 . 1 . . . . 48 GLU HG3 . 17263 1 655 . 1 1 50 50 GLU C C 13 177.046 0.3 . 1 . . . . 48 GLU C . 17263 1 656 . 1 1 50 50 GLU CA C 13 55.788 0.3 . 1 . . . . 48 GLU CA . 17263 1 657 . 1 1 50 50 GLU CB C 13 31.405 0.3 . 1 . . . . 48 GLU CB . 17263 1 658 . 1 1 50 50 GLU CG C 13 36.118 0.3 . 1 . . . . 48 GLU CG . 17263 1 659 . 1 1 50 50 GLU N N 15 118.409 0.3 . 1 . . . . 48 GLU N . 17263 1 660 . 1 1 51 51 LYS H H 1 8.646 0.020 . 1 . . . . 49 LYS H . 17263 1 661 . 1 1 51 51 LYS HA H 1 4.122 0.020 . 1 . . . . 49 LYS HA . 17263 1 662 . 1 1 51 51 LYS HB2 H 1 1.711 0.020 . 1 . . . . 49 LYS HB2 . 17263 1 663 . 1 1 51 51 LYS HB3 H 1 1.420 0.020 . 1 . . . . 49 LYS HB3 . 17263 1 664 . 1 1 51 51 LYS HD2 H 1 1.358 0.020 . 1 . . . . 49 LYS HD2 . 17263 1 665 . 1 1 51 51 LYS HD3 H 1 1.358 0.020 . 1 . . . . 49 LYS HD3 . 17263 1 666 . 1 1 51 51 LYS HE2 H 1 2.761 0.020 . 1 . . . . 49 LYS HE2 . 17263 1 667 . 1 1 51 51 LYS HE3 H 1 2.761 0.020 . 1 . . . . 49 LYS HE3 . 17263 1 668 . 1 1 51 51 LYS HG2 H 1 1.024 0.020 . 1 . . . . 49 LYS HG2 . 17263 1 669 . 1 1 51 51 LYS HG3 H 1 1.151 0.020 . 1 . . . . 49 LYS HG3 . 17263 1 670 . 1 1 51 51 LYS C C 13 177.096 0.3 . 1 . . . . 49 LYS C . 17263 1 671 . 1 1 51 51 LYS CA C 13 57.289 0.3 . 1 . . . . 49 LYS CA . 17263 1 672 . 1 1 51 51 LYS CB C 13 32.813 0.3 . 1 . . . . 49 LYS CB . 17263 1 673 . 1 1 51 51 LYS CD C 13 29.102 0.3 . 1 . . . . 49 LYS CD . 17263 1 674 . 1 1 51 51 LYS CE C 13 41.939 0.3 . 1 . . . . 49 LYS CE . 17263 1 675 . 1 1 51 51 LYS CG C 13 24.740 0.3 . 1 . . . . 49 LYS CG . 17263 1 676 . 1 1 51 51 LYS N N 15 124.275 0.3 . 1 . . . . 49 LYS N . 17263 1 677 . 1 1 52 52 GLY H H 1 8.365 0.020 . 1 . . . . 50 GLY H . 17263 1 678 . 1 1 52 52 GLY HA2 H 1 3.834 0.020 . 1 . . . . 50 GLY HA2 . 17263 1 679 . 1 1 52 52 GLY HA3 H 1 4.155 0.020 . 1 . . . . 50 GLY HA3 . 17263 1 680 . 1 1 52 52 GLY C C 13 173.397 0.3 . 1 . . . . 50 GLY C . 17263 1 681 . 1 1 52 52 GLY CA C 13 45.178 0.3 . 1 . . . . 50 GLY CA . 17263 1 682 . 1 1 52 52 GLY N N 15 112.422 0.3 . 1 . . . . 50 GLY N . 17263 1 683 . 1 1 53 53 ASP H H 1 8.399 0.020 . 1 . . . . 51 ASP H . 17263 1 684 . 1 1 53 53 ASP HA H 1 4.594 0.020 . 1 . . . . 51 ASP HA . 17263 1 685 . 1 1 53 53 ASP HB2 H 1 2.713 0.020 . 1 . . . . 51 ASP HB2 . 17263 1 686 . 1 1 53 53 ASP HB3 H 1 2.713 0.020 . 1 . . . . 51 ASP HB3 . 17263 1 687 . 1 1 53 53 ASP C C 13 176.867 0.3 . 1 . . . . 51 ASP C . 17263 1 688 . 1 1 53 53 ASP CA C 13 53.975 0.3 . 1 . . . . 51 ASP CA . 17263 1 689 . 1 1 53 53 ASP CB C 13 41.746 0.3 . 1 . . . . 51 ASP CB . 17263 1 690 . 1 1 53 53 ASP N N 15 121.293 0.3 . 1 . . . . 51 ASP N . 17263 1 691 . 1 1 54 54 GLU H H 1 8.699 0.020 . 1 . . . . 52 GLU H . 17263 1 692 . 1 1 54 54 GLU HA H 1 4.151 0.020 . 1 . . . . 52 GLU HA . 17263 1 693 . 1 1 54 54 GLU HB2 H 1 2.051 0.020 . 1 . . . . 52 GLU HB2 . 17263 1 694 . 1 1 54 54 GLU HB3 H 1 2.107 0.020 . 1 . . . . 52 GLU HB3 . 17263 1 695 . 1 1 54 54 GLU HG2 H 1 2.255 0.020 . 1 . . . . 52 GLU HG2 . 17263 1 696 . 1 1 54 54 GLU HG3 H 1 2.288 0.020 . 1 . . . . 52 GLU HG3 . 17263 1 697 . 1 1 54 54 GLU C C 13 176.989 0.3 . 1 . . . . 52 GLU C . 17263 1 698 . 1 1 54 54 GLU CA C 13 58.150 0.3 . 1 . . . . 52 GLU CA . 17263 1 699 . 1 1 54 54 GLU CB C 13 29.538 0.3 . 1 . . . . 52 GLU CB . 17263 1 700 . 1 1 54 54 GLU CG C 13 36.451 0.3 . 1 . . . . 52 GLU CG . 17263 1 701 . 1 1 54 54 GLU N N 15 120.642 0.3 . 1 . . . . 52 GLU N . 17263 1 702 . 1 1 55 55 LYS H H 1 8.386 0.020 . 1 . . . . 53 LYS H . 17263 1 703 . 1 1 55 55 LYS HA H 1 4.312 0.020 . 1 . . . . 53 LYS HA . 17263 1 704 . 1 1 55 55 LYS HB2 H 1 1.811 0.020 . 1 . . . . 53 LYS HB2 . 17263 1 705 . 1 1 55 55 LYS HB3 H 1 1.900 0.020 . 1 . . . . 53 LYS HB3 . 17263 1 706 . 1 1 55 55 LYS HD2 H 1 1.672 0.020 . 1 . . . . 53 LYS HD2 . 17263 1 707 . 1 1 55 55 LYS HD3 H 1 1.672 0.020 . 1 . . . . 53 LYS HD3 . 17263 1 708 . 1 1 55 55 LYS HE2 H 1 2.993 0.020 . 1 . . . . 53 LYS HE2 . 17263 1 709 . 1 1 55 55 LYS HE3 H 1 2.993 0.020 . 1 . . . . 53 LYS HE3 . 17263 1 710 . 1 1 55 55 LYS HG2 H 1 1.384 0.020 . 1 . . . . 53 LYS HG2 . 17263 1 711 . 1 1 55 55 LYS HG3 H 1 1.439 0.020 . 1 . . . . 53 LYS HG3 . 17263 1 712 . 1 1 55 55 LYS C C 13 176.717 0.3 . 1 . . . . 53 LYS C . 17263 1 713 . 1 1 55 55 LYS CA C 13 56.607 0.3 . 1 . . . . 53 LYS CA . 17263 1 714 . 1 1 55 55 LYS CB C 13 32.300 0.3 . 1 . . . . 53 LYS CB . 17263 1 715 . 1 1 55 55 LYS CD C 13 28.918 0.3 . 1 . . . . 53 LYS CD . 17263 1 716 . 1 1 55 55 LYS CE C 13 42.068 0.3 . 1 . . . . 53 LYS CE . 17263 1 717 . 1 1 55 55 LYS CG C 13 24.998 0.3 . 1 . . . . 53 LYS CG . 17263 1 718 . 1 1 55 55 LYS N N 15 118.633 0.3 . 1 . . . . 53 LYS N . 17263 1 719 . 1 1 56 56 SER H H 1 7.923 0.020 . 1 . . . . 54 SER H . 17263 1 720 . 1 1 56 56 SER HA H 1 4.415 0.020 . 1 . . . . 54 SER HA . 17263 1 721 . 1 1 56 56 SER HB2 H 1 3.861 0.020 . 1 . . . . 54 SER HB2 . 17263 1 722 . 1 1 56 56 SER HB3 H 1 3.894 0.020 . 1 . . . . 54 SER HB3 . 17263 1 723 . 1 1 56 56 SER C C 13 174.535 0.3 . 1 . . . . 54 SER C . 17263 1 724 . 1 1 56 56 SER CA C 13 58.228 0.3 . 1 . . . . 54 SER CA . 17263 1 725 . 1 1 56 56 SER CB C 13 63.993 0.3 . 1 . . . . 54 SER CB . 17263 1 726 . 1 1 56 56 SER N N 15 114.940 0.3 . 1 . . . . 54 SER N . 17263 1 727 . 1 1 57 57 GLU H H 1 8.720 0.020 . 1 . . . . 55 GLU H . 17263 1 728 . 1 1 57 57 GLU HA H 1 4.284 0.020 . 1 . . . . 55 GLU HA . 17263 1 729 . 1 1 57 57 GLU HB2 H 1 1.907 0.020 . 1 . . . . 55 GLU HB2 . 17263 1 730 . 1 1 57 57 GLU HB3 H 1 2.126 0.020 . 1 . . . . 55 GLU HB3 . 17263 1 731 . 1 1 57 57 GLU HG2 H 1 2.168 0.020 . 1 . . . . 55 GLU HG2 . 17263 1 732 . 1 1 57 57 GLU HG3 H 1 2.248 0.020 . 1 . . . . 55 GLU HG3 . 17263 1 733 . 1 1 57 57 GLU C C 13 175.824 0.3 . 1 . . . . 55 GLU C . 17263 1 734 . 1 1 57 57 GLU CA C 13 56.706 0.3 . 1 . . . . 55 GLU CA . 17263 1 735 . 1 1 57 57 GLU CB C 13 30.016 0.3 . 1 . . . . 55 GLU CB . 17263 1 736 . 1 1 57 57 GLU CG C 13 36.423 0.3 . 1 . . . . 55 GLU CG . 17263 1 737 . 1 1 57 57 GLU N N 15 122.852 0.3 . 1 . . . . 55 GLU N . 17263 1 738 . 1 1 58 58 ILE H H 1 7.796 0.020 . 1 . . . . 56 ILE H . 17263 1 739 . 1 1 58 58 ILE HA H 1 4.102 0.020 . 1 . . . . 56 ILE HA . 17263 1 740 . 1 1 58 58 ILE HB H 1 1.753 0.020 . 1 . . . . 56 ILE HB . 17263 1 741 . 1 1 58 58 ILE HD11 H 1 0.833 0.020 . 1 . . . . 56 ILE HD1 . 17263 1 742 . 1 1 58 58 ILE HD12 H 1 0.833 0.020 . 1 . . . . 56 ILE HD1 . 17263 1 743 . 1 1 58 58 ILE HD13 H 1 0.833 0.020 . 1 . . . . 56 ILE HD1 . 17263 1 744 . 1 1 58 58 ILE HG12 H 1 1.123 0.020 . 1 . . . . 56 ILE HG12 . 17263 1 745 . 1 1 58 58 ILE HG13 H 1 1.430 0.020 . 1 . . . . 56 ILE HG13 . 17263 1 746 . 1 1 58 58 ILE HG21 H 1 0.839 0.020 . 1 . . . . 56 ILE HG2 . 17263 1 747 . 1 1 58 58 ILE HG22 H 1 0.839 0.020 . 1 . . . . 56 ILE HG2 . 17263 1 748 . 1 1 58 58 ILE HG23 H 1 0.839 0.020 . 1 . . . . 56 ILE HG2 . 17263 1 749 . 1 1 58 58 ILE C C 13 175.346 0.3 . 1 . . . . 56 ILE C . 17263 1 750 . 1 1 58 58 ILE CA C 13 60.671 0.3 . 1 . . . . 56 ILE CA . 17263 1 751 . 1 1 58 58 ILE CB C 13 38.968 0.3 . 1 . . . . 56 ILE CB . 17263 1 752 . 1 1 58 58 ILE CD1 C 13 12.646 0.3 . 1 . . . . 56 ILE CD1 . 17263 1 753 . 1 1 58 58 ILE CG1 C 13 27.271 0.3 . 1 . . . . 56 ILE CG1 . 17263 1 754 . 1 1 58 58 ILE CG2 C 13 17.323 0.3 . 1 . . . . 56 ILE CG2 . 17263 1 755 . 1 1 58 58 ILE N N 15 120.674 0.3 . 1 . . . . 56 ILE N . 17263 1 756 . 1 1 59 59 LEU H H 1 8.132 0.020 . 1 . . . . 57 LEU H . 17263 1 757 . 1 1 59 59 LEU HA H 1 4.473 0.020 . 1 . . . . 57 LEU HA . 17263 1 758 . 1 1 59 59 LEU HB2 H 1 1.264 0.020 . 1 . . . . 57 LEU HB2 . 17263 1 759 . 1 1 59 59 LEU HB3 H 1 0.818 0.020 . 1 . . . . 57 LEU HB3 . 17263 1 760 . 1 1 59 59 LEU HD11 H 1 0.318 0.020 . 2 . . . . 57 LEU HD1 . 17263 1 761 . 1 1 59 59 LEU HD12 H 1 0.318 0.020 . 2 . . . . 57 LEU HD1 . 17263 1 762 . 1 1 59 59 LEU HD13 H 1 0.318 0.020 . 2 . . . . 57 LEU HD1 . 17263 1 763 . 1 1 59 59 LEU HD21 H 1 0.405 0.020 . 2 . . . . 57 LEU HD2 . 17263 1 764 . 1 1 59 59 LEU HD22 H 1 0.405 0.020 . 2 . . . . 57 LEU HD2 . 17263 1 765 . 1 1 59 59 LEU HD23 H 1 0.405 0.020 . 2 . . . . 57 LEU HD2 . 17263 1 766 . 1 1 59 59 LEU HG H 1 1.294 0.020 . 1 . . . . 57 LEU HG . 17263 1 767 . 1 1 59 59 LEU C C 13 175.496 0.3 . 1 . . . . 57 LEU C . 17263 1 768 . 1 1 59 59 LEU CA C 13 54.198 0.3 . 1 . . . . 57 LEU CA . 17263 1 769 . 1 1 59 59 LEU CB C 13 42.553 0.3 . 1 . . . . 57 LEU CB . 17263 1 770 . 1 1 59 59 LEU CD1 C 13 25.326 0.3 . 1 . . . . 57 LEU CD1 . 17263 1 771 . 1 1 59 59 LEU CD2 C 13 22.731 0.3 . 1 . . . . 57 LEU CD2 . 17263 1 772 . 1 1 59 59 LEU CG C 13 26.433 0.3 . 1 . . . . 57 LEU CG . 17263 1 773 . 1 1 59 59 LEU N N 15 128.126 0.3 . 1 . . . . 57 LEU N . 17263 1 774 . 1 1 60 60 ILE H H 1 8.822 0.020 . 1 . . . . 58 ILE H . 17263 1 775 . 1 1 60 60 ILE HA H 1 4.355 0.020 . 1 . . . . 58 ILE HA . 17263 1 776 . 1 1 60 60 ILE HB H 1 1.807 0.020 . 1 . . . . 58 ILE HB . 17263 1 777 . 1 1 60 60 ILE HD11 H 1 0.833 0.020 . 1 . . . . 58 ILE HD1 . 17263 1 778 . 1 1 60 60 ILE HD12 H 1 0.833 0.020 . 1 . . . . 58 ILE HD1 . 17263 1 779 . 1 1 60 60 ILE HD13 H 1 0.833 0.020 . 1 . . . . 58 ILE HD1 . 17263 1 780 . 1 1 60 60 ILE HG12 H 1 1.084 0.020 . 1 . . . . 58 ILE HG12 . 17263 1 781 . 1 1 60 60 ILE HG13 H 1 1.440 0.020 . 1 . . . . 58 ILE HG13 . 17263 1 782 . 1 1 60 60 ILE HG21 H 1 0.950 0.020 . 1 . . . . 58 ILE HG2 . 17263 1 783 . 1 1 60 60 ILE HG22 H 1 0.950 0.020 . 1 . . . . 58 ILE HG2 . 17263 1 784 . 1 1 60 60 ILE HG23 H 1 0.950 0.020 . 1 . . . . 58 ILE HG2 . 17263 1 785 . 1 1 60 60 ILE C C 13 175.695 0.3 . 1 . . . . 58 ILE C . 17263 1 786 . 1 1 60 60 ILE CA C 13 59.342 0.3 . 1 . . . . 58 ILE CA . 17263 1 787 . 1 1 60 60 ILE CB C 13 40.880 0.3 . 1 . . . . 58 ILE CB . 17263 1 788 . 1 1 60 60 ILE CD1 C 13 12.853 0.3 . 1 . . . . 58 ILE CD1 . 17263 1 789 . 1 1 60 60 ILE CG1 C 13 26.990 0.3 . 1 . . . . 58 ILE CG1 . 17263 1 790 . 1 1 60 60 ILE CG2 C 13 17.381 0.3 . 1 . . . . 58 ILE CG2 . 17263 1 791 . 1 1 60 60 ILE N N 15 122.443 0.3 . 1 . . . . 58 ILE N . 17263 1 792 . 1 1 61 61 LEU H H 1 8.683 0.020 . 1 . . . . 59 LEU H . 17263 1 793 . 1 1 61 61 LEU HA H 1 4.414 0.020 . 1 . . . . 59 LEU HA . 17263 1 794 . 1 1 61 61 LEU HB2 H 1 1.462 0.020 . 1 . . . . 59 LEU HB2 . 17263 1 795 . 1 1 61 61 LEU HB3 H 1 1.659 0.020 . 1 . . . . 59 LEU HB3 . 17263 1 796 . 1 1 61 61 LEU HD11 H 1 0.684 0.020 . 2 . . . . 59 LEU HD1 . 17263 1 797 . 1 1 61 61 LEU HD12 H 1 0.684 0.020 . 2 . . . . 59 LEU HD1 . 17263 1 798 . 1 1 61 61 LEU HD13 H 1 0.684 0.020 . 2 . . . . 59 LEU HD1 . 17263 1 799 . 1 1 61 61 LEU HD21 H 1 0.743 0.020 . 2 . . . . 59 LEU HD2 . 17263 1 800 . 1 1 61 61 LEU HD22 H 1 0.743 0.020 . 2 . . . . 59 LEU HD2 . 17263 1 801 . 1 1 61 61 LEU HD23 H 1 0.743 0.020 . 2 . . . . 59 LEU HD2 . 17263 1 802 . 1 1 61 61 LEU HG H 1 1.755 0.020 . 1 . . . . 59 LEU HG . 17263 1 803 . 1 1 61 61 LEU C C 13 177.274 0.3 . 1 . . . . 59 LEU C . 17263 1 804 . 1 1 61 61 LEU CA C 13 55.399 0.3 . 1 . . . . 59 LEU CA . 17263 1 805 . 1 1 61 61 LEU CB C 13 43.180 0.3 . 1 . . . . 59 LEU CB . 17263 1 806 . 1 1 61 61 LEU CD1 C 13 25.433 0.3 . 1 . . . . 59 LEU CD1 . 17263 1 807 . 1 1 61 61 LEU CD2 C 13 24.920 0.3 . 1 . . . . 59 LEU CD2 . 17263 1 808 . 1 1 61 61 LEU CG C 13 26.370 0.3 . 1 . . . . 59 LEU CG . 17263 1 809 . 1 1 61 61 LEU N N 15 127.015 0.3 . 1 . . . . 59 LEU N . 17263 1 810 . 1 1 62 62 CYS H H 1 8.974 0.020 . 1 . . . . 60 CYS H . 17263 1 811 . 1 1 62 62 CYS HA H 1 4.326 0.020 . 1 . . . . 60 CYS HA . 17263 1 812 . 1 1 62 62 CYS HB2 H 1 2.617 0.020 . 1 . . . . 60 CYS HB2 . 17263 1 813 . 1 1 62 62 CYS HB3 H 1 2.775 0.020 . 1 . . . . 60 CYS HB3 . 17263 1 814 . 1 1 62 62 CYS C C 13 176.699 0.3 . 1 . . . . 60 CYS C . 17263 1 815 . 1 1 62 62 CYS CA C 13 59.791 0.3 . 1 . . . . 60 CYS CA . 17263 1 816 . 1 1 62 62 CYS CB C 13 27.076 0.3 . 1 . . . . 60 CYS CB . 17263 1 817 . 1 1 62 62 CYS N N 15 125.364 0.3 . 1 . . . . 60 CYS N . 17263 1 818 . 1 1 63 63 GLY H H 1 8.939 0.020 . 1 . . . . 61 GLY H . 17263 1 819 . 1 1 63 63 GLY HA2 H 1 3.952 0.020 . 1 . . . . 61 GLY HA2 . 17263 1 820 . 1 1 63 63 GLY HA3 H 1 3.952 0.020 . 1 . . . . 61 GLY HA3 . 17263 1 821 . 1 1 63 63 GLY C C 13 174.609 0.3 . 1 . . . . 61 GLY C . 17263 1 822 . 1 1 63 63 GLY CA C 13 46.980 0.3 . 1 . . . . 61 GLY CA . 17263 1 823 . 1 1 63 63 GLY N N 15 113.252 0.3 . 1 . . . . 61 GLY N . 17263 1 824 . 1 1 64 64 SER H H 1 7.796 0.020 . 1 . . . . 62 SER H . 17263 1 825 . 1 1 64 64 SER HA H 1 4.460 0.020 . 1 . . . . 62 SER HA . 17263 1 826 . 1 1 64 64 SER HB2 H 1 3.859 0.020 . 1 . . . . 62 SER HB2 . 17263 1 827 . 1 1 64 64 SER HB3 H 1 3.995 0.020 . 1 . . . . 62 SER HB3 . 17263 1 828 . 1 1 64 64 SER C C 13 173.575 0.3 . 1 . . . . 62 SER C . 17263 1 829 . 1 1 64 64 SER CA C 13 57.779 0.3 . 1 . . . . 62 SER CA . 17263 1 830 . 1 1 64 64 SER CB C 13 63.483 0.3 . 1 . . . . 62 SER CB . 17263 1 831 . 1 1 64 64 SER N N 15 111.873 0.3 . 1 . . . . 62 SER N . 17263 1 832 . 1 1 65 65 ILE H H 1 7.115 0.020 . 1 . . . . 63 ILE H . 17263 1 833 . 1 1 65 65 ILE HA H 1 4.375 0.020 . 1 . . . . 63 ILE HA . 17263 1 834 . 1 1 65 65 ILE HB H 1 1.850 0.020 . 1 . . . . 63 ILE HB . 17263 1 835 . 1 1 65 65 ILE HD11 H 1 0.754 0.020 . 1 . . . . 63 ILE HD1 . 17263 1 836 . 1 1 65 65 ILE HD12 H 1 0.754 0.020 . 1 . . . . 63 ILE HD1 . 17263 1 837 . 1 1 65 65 ILE HD13 H 1 0.754 0.020 . 1 . . . . 63 ILE HD1 . 17263 1 838 . 1 1 65 65 ILE HG12 H 1 1.425 0.020 . 1 . . . . 63 ILE HG12 . 17263 1 839 . 1 1 65 65 ILE HG13 H 1 1.213 0.020 . 1 . . . . 63 ILE HG13 . 17263 1 840 . 1 1 65 65 ILE HG21 H 1 0.859 0.020 . 1 . . . . 63 ILE HG2 . 17263 1 841 . 1 1 65 65 ILE HG22 H 1 0.859 0.020 . 1 . . . . 63 ILE HG2 . 17263 1 842 . 1 1 65 65 ILE HG23 H 1 0.859 0.020 . 1 . . . . 63 ILE HG2 . 17263 1 843 . 1 1 65 65 ILE C C 13 173.500 0.3 . 1 . . . . 63 ILE C . 17263 1 844 . 1 1 65 65 ILE CA C 13 58.058 0.3 . 1 . . . . 63 ILE CA . 17263 1 845 . 1 1 65 65 ILE CB C 13 39.406 0.3 . 1 . . . . 63 ILE CB . 17263 1 846 . 1 1 65 65 ILE CD1 C 13 12.684 0.3 . 1 . . . . 63 ILE CD1 . 17263 1 847 . 1 1 65 65 ILE CG1 C 13 28.443 0.3 . 1 . . . . 63 ILE CG1 . 17263 1 848 . 1 1 65 65 ILE CG2 C 13 18.440 0.3 . 1 . . . . 63 ILE CG2 . 17263 1 849 . 1 1 65 65 ILE N N 15 121.172 0.3 . 1 . . . . 63 ILE N . 17263 1 850 . 1 1 66 66 ASN H H 1 8.090 0.020 . 1 . . . . 64 ASN H . 17263 1 851 . 1 1 66 66 ASN HA H 1 5.236 0.020 . 1 . . . . 64 ASN HA . 17263 1 852 . 1 1 66 66 ASN HB2 H 1 2.681 0.020 . 1 . . . . 64 ASN HB2 . 17263 1 853 . 1 1 66 66 ASN HB3 H 1 2.157 0.020 . 1 . . . . 64 ASN HB3 . 17263 1 854 . 1 1 66 66 ASN HD21 H 1 7.427 0.020 . 1 . . . . 64 ASN HD21 . 17263 1 855 . 1 1 66 66 ASN HD22 H 1 6.913 0.020 . 1 . . . . 64 ASN HD22 . 17263 1 856 . 1 1 66 66 ASN C C 13 172.539 0.3 . 1 . . . . 64 ASN C . 17263 1 857 . 1 1 66 66 ASN CA C 13 52.384 0.3 . 1 . . . . 64 ASN CA . 17263 1 858 . 1 1 66 66 ASN CB C 13 42.153 0.3 . 1 . . . . 64 ASN CB . 17263 1 859 . 1 1 66 66 ASN N N 15 123.408 0.3 . 1 . . . . 64 ASN N . 17263 1 860 . 1 1 66 66 ASN ND2 N 15 114.356 0.3 . 1 . . . . 64 ASN ND2 . 17263 1 861 . 1 1 67 67 ILE H H 1 9.192 0.020 . 1 . . . . 65 ILE H . 17263 1 862 . 1 1 67 67 ILE HA H 1 5.008 0.020 . 1 . . . . 65 ILE HA . 17263 1 863 . 1 1 67 67 ILE HB H 1 1.756 0.020 . 1 . . . . 65 ILE HB . 17263 1 864 . 1 1 67 67 ILE HD11 H 1 0.691 0.020 . 1 . . . . 65 ILE HD1 . 17263 1 865 . 1 1 67 67 ILE HD12 H 1 0.691 0.020 . 1 . . . . 65 ILE HD1 . 17263 1 866 . 1 1 67 67 ILE HD13 H 1 0.691 0.020 . 1 . . . . 65 ILE HD1 . 17263 1 867 . 1 1 67 67 ILE HG12 H 1 1.151 0.020 . 1 . . . . 65 ILE HG12 . 17263 1 868 . 1 1 67 67 ILE HG13 H 1 1.365 0.020 . 1 . . . . 65 ILE HG13 . 17263 1 869 . 1 1 67 67 ILE HG21 H 1 0.715 0.020 . 1 . . . . 65 ILE HG2 . 17263 1 870 . 1 1 67 67 ILE HG22 H 1 0.715 0.020 . 1 . . . . 65 ILE HG2 . 17263 1 871 . 1 1 67 67 ILE HG23 H 1 0.715 0.020 . 1 . . . . 65 ILE HG2 . 17263 1 872 . 1 1 67 67 ILE C C 13 174.011 0.3 . 1 . . . . 65 ILE C . 17263 1 873 . 1 1 67 67 ILE CA C 13 59.073 0.3 . 1 . . . . 65 ILE CA . 17263 1 874 . 1 1 67 67 ILE CB C 13 37.840 0.3 . 1 . . . . 65 ILE CB . 17263 1 875 . 1 1 67 67 ILE CD1 C 13 14.209 0.3 . 1 . . . . 65 ILE CD1 . 17263 1 876 . 1 1 67 67 ILE CG1 C 13 27.872 0.3 . 1 . . . . 65 ILE CG1 . 17263 1 877 . 1 1 67 67 ILE CG2 C 13 17.486 0.3 . 1 . . . . 65 ILE CG2 . 17263 1 878 . 1 1 67 67 ILE N N 15 122.613 0.3 . 1 . . . . 65 ILE N . 17263 1 879 . 1 1 68 68 LEU H H 1 9.279 0.020 . 1 . . . . 66 LEU H . 17263 1 880 . 1 1 68 68 LEU HA H 1 5.047 0.020 . 1 . . . . 66 LEU HA . 17263 1 881 . 1 1 68 68 LEU HB2 H 1 1.749 0.020 . 1 . . . . 66 LEU HB2 . 17263 1 882 . 1 1 68 68 LEU HB3 H 1 0.917 0.020 . 1 . . . . 66 LEU HB3 . 17263 1 883 . 1 1 68 68 LEU HD11 H 1 0.734 0.020 . 2 . . . . 66 LEU HD1 . 17263 1 884 . 1 1 68 68 LEU HD12 H 1 0.734 0.020 . 2 . . . . 66 LEU HD1 . 17263 1 885 . 1 1 68 68 LEU HD13 H 1 0.734 0.020 . 2 . . . . 66 LEU HD1 . 17263 1 886 . 1 1 68 68 LEU HD21 H 1 0.634 0.020 . 2 . . . . 66 LEU HD2 . 17263 1 887 . 1 1 68 68 LEU HD22 H 1 0.634 0.020 . 2 . . . . 66 LEU HD2 . 17263 1 888 . 1 1 68 68 LEU HD23 H 1 0.634 0.020 . 2 . . . . 66 LEU HD2 . 17263 1 889 . 1 1 68 68 LEU HG H 1 1.407 0.020 . 1 . . . . 66 LEU HG . 17263 1 890 . 1 1 68 68 LEU C C 13 176.831 0.3 . 1 . . . . 66 LEU C . 17263 1 891 . 1 1 68 68 LEU CA C 13 52.517 0.3 . 1 . . . . 66 LEU CA . 17263 1 892 . 1 1 68 68 LEU CB C 13 44.956 0.3 . 1 . . . . 66 LEU CB . 17263 1 893 . 1 1 68 68 LEU CD1 C 13 25.347 0.3 . 1 . . . . 66 LEU CD1 . 17263 1 894 . 1 1 68 68 LEU CD2 C 13 23.277 0.3 . 1 . . . . 66 LEU CD2 . 17263 1 895 . 1 1 68 68 LEU CG C 13 27.888 0.3 . 1 . . . . 66 LEU CG . 17263 1 896 . 1 1 68 68 LEU N N 15 127.036 0.3 . 1 . . . . 66 LEU N . 17263 1 897 . 1 1 69 69 ILE H H 1 9.232 0.020 . 1 . . . . 67 ILE H . 17263 1 898 . 1 1 69 69 ILE HA H 1 4.820 0.020 . 1 . . . . 67 ILE HA . 17263 1 899 . 1 1 69 69 ILE HB H 1 1.609 0.020 . 1 . . . . 67 ILE HB . 17263 1 900 . 1 1 69 69 ILE HD11 H 1 0.771 0.020 . 1 . . . . 67 ILE HD1 . 17263 1 901 . 1 1 69 69 ILE HD12 H 1 0.771 0.020 . 1 . . . . 67 ILE HD1 . 17263 1 902 . 1 1 69 69 ILE HD13 H 1 0.771 0.020 . 1 . . . . 67 ILE HD1 . 17263 1 903 . 1 1 69 69 ILE HG12 H 1 1.382 0.020 . 1 . . . . 67 ILE HG12 . 17263 1 904 . 1 1 69 69 ILE HG13 H 1 0.872 0.020 . 1 . . . . 67 ILE HG13 . 17263 1 905 . 1 1 69 69 ILE HG21 H 1 0.817 0.020 . 1 . . . . 67 ILE HG2 . 17263 1 906 . 1 1 69 69 ILE HG22 H 1 0.817 0.020 . 1 . . . . 67 ILE HG2 . 17263 1 907 . 1 1 69 69 ILE HG23 H 1 0.817 0.020 . 1 . . . . 67 ILE HG2 . 17263 1 908 . 1 1 69 69 ILE C C 13 176.820 0.3 . 1 . . . . 67 ILE C . 17263 1 909 . 1 1 69 69 ILE CA C 13 59.995 0.3 . 1 . . . . 67 ILE CA . 17263 1 910 . 1 1 69 69 ILE CB C 13 38.908 0.3 . 1 . . . . 67 ILE CB . 17263 1 911 . 1 1 69 69 ILE CD1 C 13 14.657 0.3 . 1 . . . . 67 ILE CD1 . 17263 1 912 . 1 1 69 69 ILE CG1 C 13 27.248 0.3 . 1 . . . . 67 ILE CG1 . 17263 1 913 . 1 1 69 69 ILE CG2 C 13 17.351 0.3 . 1 . . . . 67 ILE CG2 . 17263 1 914 . 1 1 69 69 ILE N N 15 119.875 0.3 . 1 . . . . 67 ILE N . 17263 1 915 . 1 1 70 70 ASN H H 1 9.934 0.020 . 1 . . . . 68 ASN H . 17263 1 916 . 1 1 70 70 ASN HA H 1 4.543 0.020 . 1 . . . . 68 ASN HA . 17263 1 917 . 1 1 70 70 ASN HB2 H 1 2.955 0.020 . 1 . . . . 68 ASN HB2 . 17263 1 918 . 1 1 70 70 ASN HB3 H 1 3.097 0.020 . 1 . . . . 68 ASN HB3 . 17263 1 919 . 1 1 70 70 ASN HD21 H 1 7.554 0.020 . 1 . . . . 68 ASN HD21 . 17263 1 920 . 1 1 70 70 ASN HD22 H 1 7.711 0.020 . 1 . . . . 68 ASN HD22 . 17263 1 921 . 1 1 70 70 ASN C C 13 175.555 0.3 . 1 . . . . 68 ASN C . 17263 1 922 . 1 1 70 70 ASN CA C 13 54.383 0.3 . 1 . . . . 68 ASN CA . 17263 1 923 . 1 1 70 70 ASN CB C 13 37.417 0.3 . 1 . . . . 68 ASN CB . 17263 1 924 . 1 1 70 70 ASN N N 15 129.418 0.3 . 1 . . . . 68 ASN N . 17263 1 925 . 1 1 70 70 ASN ND2 N 15 118.396 0.3 . 1 . . . . 68 ASN ND2 . 17263 1 926 . 1 1 71 71 GLY H H 1 8.683 0.020 . 1 . . . . 69 GLY H . 17263 1 927 . 1 1 71 71 GLY HA2 H 1 3.497 0.020 . 1 . . . . 69 GLY HA2 . 17263 1 928 . 1 1 71 71 GLY HA3 H 1 4.292 0.020 . 1 . . . . 69 GLY HA3 . 17263 1 929 . 1 1 71 71 GLY C C 13 173.189 0.3 . 1 . . . . 69 GLY C . 17263 1 930 . 1 1 71 71 GLY CA C 13 45.514 0.3 . 1 . . . . 69 GLY CA . 17263 1 931 . 1 1 71 71 GLY N N 15 101.434 0.3 . 1 . . . . 69 GLY N . 17263 1 932 . 1 1 72 72 ASN H H 1 8.100 0.020 . 1 . . . . 70 ASN H . 17263 1 933 . 1 1 72 72 ASN HA H 1 5.080 0.020 . 1 . . . . 70 ASN HA . 17263 1 934 . 1 1 72 72 ASN HB2 H 1 2.697 0.020 . 1 . . . . 70 ASN HB2 . 17263 1 935 . 1 1 72 72 ASN HB3 H 1 2.933 0.020 . 1 . . . . 70 ASN HB3 . 17263 1 936 . 1 1 72 72 ASN HD21 H 1 7.077 0.020 . 1 . . . . 70 ASN HD21 . 17263 1 937 . 1 1 72 72 ASN HD22 H 1 7.512 0.020 . 1 . . . . 70 ASN HD22 . 17263 1 938 . 1 1 72 72 ASN C C 13 174.377 0.3 . 1 . . . . 70 ASN C . 17263 1 939 . 1 1 72 72 ASN CA C 13 51.646 0.3 . 1 . . . . 70 ASN CA . 17263 1 940 . 1 1 72 72 ASN CB C 13 40.013 0.3 . 1 . . . . 70 ASN CB . 17263 1 941 . 1 1 72 72 ASN N N 15 119.443 0.3 . 1 . . . . 70 ASN N . 17263 1 942 . 1 1 72 72 ASN ND2 N 15 113.591 0.3 . 1 . . . . 70 ASN ND2 . 17263 1 943 . 1 1 73 73 ASN H H 1 9.208 0.020 . 1 . . . . 71 ASN H . 17263 1 944 . 1 1 73 73 ASN HA H 1 4.689 0.020 . 1 . . . . 71 ASN HA . 17263 1 945 . 1 1 73 73 ASN HB2 H 1 2.599 0.020 . 1 . . . . 71 ASN HB2 . 17263 1 946 . 1 1 73 73 ASN HB3 H 1 2.428 0.020 . 1 . . . . 71 ASN HB3 . 17263 1 947 . 1 1 73 73 ASN HD21 H 1 7.991 0.020 . 1 . . . . 71 ASN HD21 . 17263 1 948 . 1 1 73 73 ASN HD22 H 1 7.064 0.020 . 1 . . . . 71 ASN HD22 . 17263 1 949 . 1 1 73 73 ASN C C 13 177.895 0.3 . 1 . . . . 71 ASN C . 17263 1 950 . 1 1 73 73 ASN CA C 13 54.623 0.3 . 1 . . . . 71 ASN CA . 17263 1 951 . 1 1 73 73 ASN CB C 13 38.984 0.3 . 1 . . . . 71 ASN CB . 17263 1 952 . 1 1 73 73 ASN N N 15 126.164 0.3 . 1 . . . . 71 ASN N . 17263 1 953 . 1 1 73 73 ASN ND2 N 15 114.904 0.3 . 1 . . . . 71 ASN ND2 . 17263 1 954 . 1 1 74 74 ILE H H 1 8.686 0.020 . 1 . . . . 72 ILE H . 17263 1 955 . 1 1 74 74 ILE HA H 1 4.064 0.020 . 1 . . . . 72 ILE HA . 17263 1 956 . 1 1 74 74 ILE HB H 1 2.051 0.020 . 1 . . . . 72 ILE HB . 17263 1 957 . 1 1 74 74 ILE HD11 H 1 0.671 0.020 . 1 . . . . 72 ILE HD1 . 17263 1 958 . 1 1 74 74 ILE HD12 H 1 0.671 0.020 . 1 . . . . 72 ILE HD1 . 17263 1 959 . 1 1 74 74 ILE HD13 H 1 0.671 0.020 . 1 . . . . 72 ILE HD1 . 17263 1 960 . 1 1 74 74 ILE HG12 H 1 1.702 0.020 . 1 . . . . 72 ILE HG12 . 17263 1 961 . 1 1 74 74 ILE HG13 H 1 1.269 0.020 . 1 . . . . 72 ILE HG13 . 17263 1 962 . 1 1 74 74 ILE HG21 H 1 1.015 0.020 . 1 . . . . 72 ILE HG2 . 17263 1 963 . 1 1 74 74 ILE HG22 H 1 1.015 0.020 . 1 . . . . 72 ILE HG2 . 17263 1 964 . 1 1 74 74 ILE HG23 H 1 1.015 0.020 . 1 . . . . 72 ILE HG2 . 17263 1 965 . 1 1 74 74 ILE C C 13 178.779 0.3 . 1 . . . . 72 ILE C . 17263 1 966 . 1 1 74 74 ILE CA C 13 65.623 0.3 . 1 . . . . 72 ILE CA . 17263 1 967 . 1 1 74 74 ILE CB C 13 37.118 0.3 . 1 . . . . 72 ILE CB . 17263 1 968 . 1 1 74 74 ILE CD1 C 13 14.124 0.3 . 1 . . . . 72 ILE CD1 . 17263 1 969 . 1 1 74 74 ILE CG1 C 13 24.569 0.3 . 1 . . . . 72 ILE CG1 . 17263 1 970 . 1 1 74 74 ILE CG2 C 13 18.404 0.3 . 1 . . . . 72 ILE CG2 . 17263 1 971 . 1 1 74 74 ILE N N 15 120.958 0.3 . 1 . . . . 72 ILE N . 17263 1 972 . 1 1 75 75 ARG H H 1 9.275 0.020 . 1 . . . . 73 ARG H . 17263 1 973 . 1 1 75 75 ARG HA H 1 4.100 0.020 . 1 . . . . 73 ARG HA . 17263 1 974 . 1 1 75 75 ARG HB2 H 1 1.376 0.020 . 1 . . . . 73 ARG HB2 . 17263 1 975 . 1 1 75 75 ARG HB3 H 1 1.655 0.020 . 1 . . . . 73 ARG HB3 . 17263 1 976 . 1 1 75 75 ARG HD2 H 1 3.136 0.020 . 1 . . . . 73 ARG HD2 . 17263 1 977 . 1 1 75 75 ARG HD3 H 1 3.188 0.020 . 1 . . . . 73 ARG HD3 . 17263 1 978 . 1 1 75 75 ARG HG2 H 1 1.470 0.020 . 1 . . . . 73 ARG HG2 . 17263 1 979 . 1 1 75 75 ARG HG3 H 1 1.524 0.020 . 1 . . . . 73 ARG HG3 . 17263 1 980 . 1 1 75 75 ARG C C 13 177.558 0.3 . 1 . . . . 73 ARG C . 17263 1 981 . 1 1 75 75 ARG CA C 13 58.815 0.3 . 1 . . . . 73 ARG CA . 17263 1 982 . 1 1 75 75 ARG CB C 13 29.435 0.3 . 1 . . . . 73 ARG CB . 17263 1 983 . 1 1 75 75 ARG CD C 13 43.470 0.3 . 1 . . . . 73 ARG CD . 17263 1 984 . 1 1 75 75 ARG CG C 13 28.643 0.3 . 1 . . . . 73 ARG CG . 17263 1 985 . 1 1 75 75 ARG N N 15 123.466 0.3 . 1 . . . . 73 ARG N . 17263 1 986 . 1 1 76 76 HIS H H 1 7.871 0.020 . 1 . . . . 74 HIS H . 17263 1 987 . 1 1 76 76 HIS HA H 1 4.918 0.020 . 1 . . . . 74 HIS HA . 17263 1 988 . 1 1 76 76 HIS HB2 H 1 3.465 0.020 . 1 . . . . 74 HIS HB2 . 17263 1 989 . 1 1 76 76 HIS HB3 H 1 3.182 0.020 . 1 . . . . 74 HIS HB3 . 17263 1 990 . 1 1 76 76 HIS HD2 H 1 6.986 0.020 . 1 . . . . 74 HIS HD2 . 17263 1 991 . 1 1 76 76 HIS HE1 H 1 7.904 0.020 . 1 . . . . 74 HIS HE1 . 17263 1 992 . 1 1 76 76 HIS C C 13 174.874 0.3 . 1 . . . . 74 HIS C . 17263 1 993 . 1 1 76 76 HIS CA C 13 54.926 0.3 . 1 . . . . 74 HIS CA . 17263 1 994 . 1 1 76 76 HIS CB C 13 30.330 0.3 . 1 . . . . 74 HIS CB . 17263 1 995 . 1 1 76 76 HIS CD2 C 13 119.995 0.3 . 1 . . . . 74 HIS CD2 . 17263 1 996 . 1 1 76 76 HIS CE1 C 13 138.380 0.3 . 1 . . . . 74 HIS CE1 . 17263 1 997 . 1 1 76 76 HIS N N 15 116.511 0.3 . 1 . . . . 74 HIS N . 17263 1 998 . 1 1 76 76 HIS ND1 N 15 212.329 0.3 . 1 . . . . 74 HIS ND1 . 17263 1 999 . 1 1 76 76 HIS NE2 N 15 187.617 0.3 . 1 . . . . 74 HIS NE2 . 17263 1 1000 . 1 1 77 77 LEU H H 1 7.337 0.020 . 1 . . . . 75 LEU H . 17263 1 1001 . 1 1 77 77 LEU HA H 1 4.753 0.020 . 1 . . . . 75 LEU HA . 17263 1 1002 . 1 1 77 77 LEU HB2 H 1 1.777 0.020 . 1 . . . . 75 LEU HB2 . 17263 1 1003 . 1 1 77 77 LEU HB3 H 1 1.826 0.020 . 1 . . . . 75 LEU HB3 . 17263 1 1004 . 1 1 77 77 LEU HD11 H 1 0.996 0.020 . 2 . . . . 75 LEU HD1 . 17263 1 1005 . 1 1 77 77 LEU HD12 H 1 0.996 0.020 . 2 . . . . 75 LEU HD1 . 17263 1 1006 . 1 1 77 77 LEU HD13 H 1 0.996 0.020 . 2 . . . . 75 LEU HD1 . 17263 1 1007 . 1 1 77 77 LEU HD21 H 1 0.936 0.020 . 2 . . . . 75 LEU HD2 . 17263 1 1008 . 1 1 77 77 LEU HD22 H 1 0.936 0.020 . 2 . . . . 75 LEU HD2 . 17263 1 1009 . 1 1 77 77 LEU HD23 H 1 0.936 0.020 . 2 . . . . 75 LEU HD2 . 17263 1 1010 . 1 1 77 77 LEU HG H 1 1.670 0.020 . 1 . . . . 75 LEU HG . 17263 1 1011 . 1 1 77 77 LEU C C 13 175.751 0.3 . 1 . . . . 75 LEU C . 17263 1 1012 . 1 1 77 77 LEU CA C 13 53.372 0.3 . 1 . . . . 75 LEU CA . 17263 1 1013 . 1 1 77 77 LEU CB C 13 40.692 0.3 . 1 . . . . 75 LEU CB . 17263 1 1014 . 1 1 77 77 LEU CD1 C 13 26.597 0.3 . 1 . . . . 75 LEU CD1 . 17263 1 1015 . 1 1 77 77 LEU CD2 C 13 22.534 0.3 . 1 . . . . 75 LEU CD2 . 17263 1 1016 . 1 1 77 77 LEU CG C 13 26.498 0.3 . 1 . . . . 75 LEU CG . 17263 1 1017 . 1 1 77 77 LEU N N 15 123.663 0.3 . 1 . . . . 75 LEU N . 17263 1 1018 . 1 1 78 78 GLU H H 1 7.705 0.020 . 1 . . . . 76 GLU H . 17263 1 1019 . 1 1 78 78 GLU HA H 1 4.735 0.020 . 1 . . . . 76 GLU HA . 17263 1 1020 . 1 1 78 78 GLU HB2 H 1 1.710 0.020 . 1 . . . . 76 GLU HB2 . 17263 1 1021 . 1 1 78 78 GLU HB3 H 1 2.309 0.020 . 1 . . . . 76 GLU HB3 . 17263 1 1022 . 1 1 78 78 GLU HG2 H 1 2.169 0.020 . 1 . . . . 76 GLU HG2 . 17263 1 1023 . 1 1 78 78 GLU HG3 H 1 2.314 0.020 . 1 . . . . 76 GLU HG3 . 17263 1 1024 . 1 1 78 78 GLU C C 13 177.014 0.3 . 1 . . . . 76 GLU C . 17263 1 1025 . 1 1 78 78 GLU CA C 13 55.421 0.3 . 1 . . . . 76 GLU CA . 17263 1 1026 . 1 1 78 78 GLU CB C 13 29.296 0.3 . 1 . . . . 76 GLU CB . 17263 1 1027 . 1 1 78 78 GLU CG C 13 36.945 0.3 . 1 . . . . 76 GLU CG . 17263 1 1028 . 1 1 78 78 GLU N N 15 122.467 0.3 . 1 . . . . 76 GLU N . 17263 1 1029 . 1 1 79 79 GLY H H 1 7.961 0.020 . 1 . . . . 77 GLY H . 17263 1 1030 . 1 1 79 79 GLY HA2 H 1 3.189 0.020 . 1 . . . . 77 GLY HA2 . 17263 1 1031 . 1 1 79 79 GLY HA3 H 1 4.038 0.020 . 1 . . . . 77 GLY HA3 . 17263 1 1032 . 1 1 79 79 GLY CA C 13 46.445 0.3 . 1 . . . . 77 GLY CA . 17263 1 1033 . 1 1 79 79 GLY N N 15 106.912 0.3 . 1 . . . . 77 GLY N . 17263 1 1034 . 1 1 80 80 LEU H H 1 9.453 0.020 . 1 . . . . 78 LEU H . 17263 1 1035 . 1 1 80 80 LEU HA H 1 3.878 0.020 . 1 . . . . 78 LEU HA . 17263 1 1036 . 1 1 80 80 LEU HB2 H 1 2.081 0.020 . 1 . . . . 78 LEU HB2 . 17263 1 1037 . 1 1 80 80 LEU HB3 H 1 1.645 0.020 . 1 . . . . 78 LEU HB3 . 17263 1 1038 . 1 1 80 80 LEU HD11 H 1 0.860 0.020 . 2 . . . . 78 LEU HD1 . 17263 1 1039 . 1 1 80 80 LEU HD12 H 1 0.860 0.020 . 2 . . . . 78 LEU HD1 . 17263 1 1040 . 1 1 80 80 LEU HD13 H 1 0.860 0.020 . 2 . . . . 78 LEU HD1 . 17263 1 1041 . 1 1 80 80 LEU HD21 H 1 1.111 0.020 . 2 . . . . 78 LEU HD2 . 17263 1 1042 . 1 1 80 80 LEU HD22 H 1 1.111 0.020 . 2 . . . . 78 LEU HD2 . 17263 1 1043 . 1 1 80 80 LEU HD23 H 1 1.111 0.020 . 2 . . . . 78 LEU HD2 . 17263 1 1044 . 1 1 80 80 LEU HG H 1 1.876 0.020 . 1 . . . . 78 LEU HG . 17263 1 1045 . 1 1 80 80 LEU C C 13 175.710 0.3 . 1 . . . . 78 LEU C . 17263 1 1046 . 1 1 80 80 LEU CA C 13 57.250 0.3 . 1 . . . . 78 LEU CA . 17263 1 1047 . 1 1 80 80 LEU CB C 13 42.328 0.3 . 1 . . . . 78 LEU CB . 17263 1 1048 . 1 1 80 80 LEU CD1 C 13 24.139 0.3 . 1 . . . . 78 LEU CD1 . 17263 1 1049 . 1 1 80 80 LEU CD2 C 13 25.789 0.3 . 1 . . . . 78 LEU CD2 . 17263 1 1050 . 1 1 80 80 LEU CG C 13 26.934 0.3 . 1 . . . . 78 LEU CG . 17263 1 1051 . 1 1 80 80 LEU N N 15 127.306 0.3 . 1 . . . . 78 LEU N . 17263 1 1052 . 1 1 81 81 GLU H H 1 7.398 0.020 . 1 . . . . 79 GLU H . 17263 1 1053 . 1 1 81 81 GLU HA H 1 4.306 0.020 . 1 . . . . 79 GLU HA . 17263 1 1054 . 1 1 81 81 GLU HB2 H 1 2.042 0.020 . 1 . . . . 79 GLU HB2 . 17263 1 1055 . 1 1 81 81 GLU HB3 H 1 2.453 0.020 . 1 . . . . 79 GLU HB3 . 17263 1 1056 . 1 1 81 81 GLU HG2 H 1 2.372 0.020 . 1 . . . . 79 GLU HG2 . 17263 1 1057 . 1 1 81 81 GLU HG3 H 1 2.216 0.020 . 1 . . . . 79 GLU HG3 . 17263 1 1058 . 1 1 81 81 GLU C C 13 175.250 0.3 . 1 . . . . 79 GLU C . 17263 1 1059 . 1 1 81 81 GLU CA C 13 55.668 0.3 . 1 . . . . 79 GLU CA . 17263 1 1060 . 1 1 81 81 GLU CB C 13 29.708 0.3 . 1 . . . . 79 GLU CB . 17263 1 1061 . 1 1 81 81 GLU CG C 13 36.360 0.3 . 1 . . . . 79 GLU CG . 17263 1 1062 . 1 1 81 81 GLU N N 15 113.515 0.3 . 1 . . . . 79 GLU N . 17263 1 1063 . 1 1 82 82 THR H H 1 7.200 0.020 . 1 . . . . 80 THR H . 17263 1 1064 . 1 1 82 82 THR HA H 1 3.969 0.020 . 1 . . . . 80 THR HA . 17263 1 1065 . 1 1 82 82 THR HB H 1 3.916 0.020 . 1 . . . . 80 THR HB . 17263 1 1066 . 1 1 82 82 THR HG1 H 1 5.986 0.020 . 1 . . . . 80 THR HG1 . 17263 1 1067 . 1 1 82 82 THR HG21 H 1 1.389 0.020 . 1 . . . . 80 THR HG2 . 17263 1 1068 . 1 1 82 82 THR HG22 H 1 1.389 0.020 . 1 . . . . 80 THR HG2 . 17263 1 1069 . 1 1 82 82 THR HG23 H 1 1.389 0.020 . 1 . . . . 80 THR HG2 . 17263 1 1070 . 1 1 82 82 THR C C 13 173.782 0.3 . 1 . . . . 80 THR C . 17263 1 1071 . 1 1 82 82 THR CA C 13 65.819 0.3 . 1 . . . . 80 THR CA . 17263 1 1072 . 1 1 82 82 THR CB C 13 69.987 0.3 . 1 . . . . 80 THR CB . 17263 1 1073 . 1 1 82 82 THR CG2 C 13 21.932 0.3 . 1 . . . . 80 THR CG2 . 17263 1 1074 . 1 1 82 82 THR N N 15 116.499 0.3 . 1 . . . . 80 THR N . 17263 1 1075 . 1 1 83 83 LEU H H 1 8.653 0.020 . 1 . . . . 81 LEU H . 17263 1 1076 . 1 1 83 83 LEU HA H 1 4.512 0.020 . 1 . . . . 81 LEU HA . 17263 1 1077 . 1 1 83 83 LEU HB2 H 1 1.788 0.020 . 1 . . . . 81 LEU HB2 . 17263 1 1078 . 1 1 83 83 LEU HB3 H 1 1.591 0.020 . 1 . . . . 81 LEU HB3 . 17263 1 1079 . 1 1 83 83 LEU HD11 H 1 1.028 0.020 . 2 . . . . 81 LEU HD1 . 17263 1 1080 . 1 1 83 83 LEU HD12 H 1 1.028 0.020 . 2 . . . . 81 LEU HD1 . 17263 1 1081 . 1 1 83 83 LEU HD13 H 1 1.028 0.020 . 2 . . . . 81 LEU HD1 . 17263 1 1082 . 1 1 83 83 LEU HD21 H 1 0.978 0.020 . 2 . . . . 81 LEU HD2 . 17263 1 1083 . 1 1 83 83 LEU HD22 H 1 0.978 0.020 . 2 . . . . 81 LEU HD2 . 17263 1 1084 . 1 1 83 83 LEU HD23 H 1 0.978 0.020 . 2 . . . . 81 LEU HD2 . 17263 1 1085 . 1 1 83 83 LEU HG H 1 1.881 0.020 . 1 . . . . 81 LEU HG . 17263 1 1086 . 1 1 83 83 LEU C C 13 177.273 0.3 . 1 . . . . 81 LEU C . 17263 1 1087 . 1 1 83 83 LEU CA C 13 55.422 0.3 . 1 . . . . 81 LEU CA . 17263 1 1088 . 1 1 83 83 LEU CB C 13 42.767 0.3 . 1 . . . . 81 LEU CB . 17263 1 1089 . 1 1 83 83 LEU CD1 C 13 25.497 0.3 . 1 . . . . 81 LEU CD1 . 17263 1 1090 . 1 1 83 83 LEU CD2 C 13 23.936 0.3 . 1 . . . . 81 LEU CD2 . 17263 1 1091 . 1 1 83 83 LEU CG C 13 27.180 0.3 . 1 . . . . 81 LEU CG . 17263 1 1092 . 1 1 83 83 LEU N N 15 127.915 0.3 . 1 . . . . 81 LEU N . 17263 1 1093 . 1 1 84 84 LEU H H 1 7.921 0.020 . 1 . . . . 82 LEU H . 17263 1 1094 . 1 1 84 84 LEU HA H 1 4.467 0.020 . 1 . . . . 82 LEU HA . 17263 1 1095 . 1 1 84 84 LEU HB2 H 1 1.580 0.020 . 1 . . . . 82 LEU HB2 . 17263 1 1096 . 1 1 84 84 LEU HB3 H 1 1.159 0.020 . 1 . . . . 82 LEU HB3 . 17263 1 1097 . 1 1 84 84 LEU HD11 H 1 0.571 0.020 . 2 . . . . 82 LEU HD1 . 17263 1 1098 . 1 1 84 84 LEU HD12 H 1 0.571 0.020 . 2 . . . . 82 LEU HD1 . 17263 1 1099 . 1 1 84 84 LEU HD13 H 1 0.571 0.020 . 2 . . . . 82 LEU HD1 . 17263 1 1100 . 1 1 84 84 LEU HD21 H 1 0.783 0.020 . 2 . . . . 82 LEU HD2 . 17263 1 1101 . 1 1 84 84 LEU HD22 H 1 0.783 0.020 . 2 . . . . 82 LEU HD2 . 17263 1 1102 . 1 1 84 84 LEU HD23 H 1 0.783 0.020 . 2 . . . . 82 LEU HD2 . 17263 1 1103 . 1 1 84 84 LEU HG H 1 1.430 0.020 . 1 . . . . 82 LEU HG . 17263 1 1104 . 1 1 84 84 LEU C C 13 175.454 0.3 . 1 . . . . 82 LEU C . 17263 1 1105 . 1 1 84 84 LEU CA C 13 53.406 0.3 . 1 . . . . 82 LEU CA . 17263 1 1106 . 1 1 84 84 LEU CB C 13 43.938 0.3 . 1 . . . . 82 LEU CB . 17263 1 1107 . 1 1 84 84 LEU CD1 C 13 27.040 0.3 . 1 . . . . 82 LEU CD1 . 17263 1 1108 . 1 1 84 84 LEU CD2 C 13 23.680 0.3 . 1 . . . . 82 LEU CD2 . 17263 1 1109 . 1 1 84 84 LEU CG C 13 27.393 0.3 . 1 . . . . 82 LEU CG . 17263 1 1110 . 1 1 84 84 LEU N N 15 121.223 0.3 . 1 . . . . 82 LEU N . 17263 1 1111 . 1 1 85 85 LYS H H 1 8.780 0.020 . 1 . . . . 83 LYS H . 17263 1 1112 . 1 1 85 85 LYS HA H 1 4.559 0.020 . 1 . . . . 83 LYS HA . 17263 1 1113 . 1 1 85 85 LYS HB2 H 1 1.794 0.020 . 1 . . . . 83 LYS HB2 . 17263 1 1114 . 1 1 85 85 LYS HB3 H 1 1.734 0.020 . 1 . . . . 83 LYS HB3 . 17263 1 1115 . 1 1 85 85 LYS HD2 H 1 1.698 0.020 . 1 . . . . 83 LYS HD2 . 17263 1 1116 . 1 1 85 85 LYS HD3 H 1 1.723 0.020 . 1 . . . . 83 LYS HD3 . 17263 1 1117 . 1 1 85 85 LYS HE2 H 1 3.034 0.020 . 1 . . . . 83 LYS HE2 . 17263 1 1118 . 1 1 85 85 LYS HE3 H 1 3.034 0.020 . 1 . . . . 83 LYS HE3 . 17263 1 1119 . 1 1 85 85 LYS HG2 H 1 1.374 0.020 . 1 . . . . 83 LYS HG2 . 17263 1 1120 . 1 1 85 85 LYS HG3 H 1 1.482 0.020 . 1 . . . . 83 LYS HG3 . 17263 1 1121 . 1 1 85 85 LYS C C 13 175.216 0.3 . 1 . . . . 83 LYS C . 17263 1 1122 . 1 1 85 85 LYS CA C 13 54.002 0.3 . 1 . . . . 83 LYS CA . 17263 1 1123 . 1 1 85 85 LYS CB C 13 35.204 0.3 . 1 . . . . 83 LYS CB . 17263 1 1124 . 1 1 85 85 LYS CD C 13 28.849 0.3 . 1 . . . . 83 LYS CD . 17263 1 1125 . 1 1 85 85 LYS CE C 13 42.137 0.3 . 1 . . . . 83 LYS CE . 17263 1 1126 . 1 1 85 85 LYS CG C 13 24.150 0.3 . 1 . . . . 83 LYS CG . 17263 1 1127 . 1 1 85 85 LYS N N 15 121.147 0.3 . 1 . . . . 83 LYS N . 17263 1 1128 . 1 1 86 86 ASP H H 1 8.475 0.020 . 1 . . . . 84 ASP H . 17263 1 1129 . 1 1 86 86 ASP HA H 1 4.575 0.020 . 1 . . . . 84 ASP HA . 17263 1 1130 . 1 1 86 86 ASP HB2 H 1 2.545 0.020 . 1 . . . . 84 ASP HB2 . 17263 1 1131 . 1 1 86 86 ASP HB3 H 1 2.776 0.020 . 1 . . . . 84 ASP HB3 . 17263 1 1132 . 1 1 86 86 ASP C C 13 177.992 0.3 . 1 . . . . 84 ASP C . 17263 1 1133 . 1 1 86 86 ASP CA C 13 56.243 0.3 . 1 . . . . 84 ASP CA . 17263 1 1134 . 1 1 86 86 ASP CB C 13 41.251 0.3 . 1 . . . . 84 ASP CB . 17263 1 1135 . 1 1 86 86 ASP N N 15 119.723 0.3 . 1 . . . . 84 ASP N . 17263 1 1136 . 1 1 87 87 SER H H 1 9.197 0.020 . 1 . . . . 85 SER H . 17263 1 1137 . 1 1 87 87 SER HA H 1 4.099 0.020 . 1 . . . . 85 SER HA . 17263 1 1138 . 1 1 87 87 SER HB2 H 1 4.104 0.020 . 1 . . . . 85 SER HB2 . 17263 1 1139 . 1 1 87 87 SER HB3 H 1 4.310 0.020 . 1 . . . . 85 SER HB3 . 17263 1 1140 . 1 1 87 87 SER C C 13 174.262 0.3 . 1 . . . . 85 SER C . 17263 1 1141 . 1 1 87 87 SER CA C 13 60.794 0.3 . 1 . . . . 85 SER CA . 17263 1 1142 . 1 1 87 87 SER CB C 13 61.996 0.3 . 1 . . . . 85 SER CB . 17263 1 1143 . 1 1 87 87 SER N N 15 112.880 0.3 . 1 . . . . 85 SER N . 17263 1 1144 . 1 1 88 88 ASP H H 1 8.208 0.020 . 1 . . . . 86 ASP H . 17263 1 1145 . 1 1 88 88 ASP HA H 1 4.741 0.020 . 1 . . . . 86 ASP HA . 17263 1 1146 . 1 1 88 88 ASP HB2 H 1 2.859 0.020 . 1 . . . . 86 ASP HB2 . 17263 1 1147 . 1 1 88 88 ASP HB3 H 1 2.277 0.020 . 1 . . . . 86 ASP HB3 . 17263 1 1148 . 1 1 88 88 ASP C C 13 174.636 0.3 . 1 . . . . 86 ASP C . 17263 1 1149 . 1 1 88 88 ASP CA C 13 56.578 0.3 . 1 . . . . 86 ASP CA . 17263 1 1150 . 1 1 88 88 ASP CB C 13 42.024 0.3 . 1 . . . . 86 ASP CB . 17263 1 1151 . 1 1 88 88 ASP N N 15 122.492 0.3 . 1 . . . . 86 ASP N . 17263 1 1152 . 1 1 89 89 GLU H H 1 8.474 0.020 . 1 . . . . 87 GLU H . 17263 1 1153 . 1 1 89 89 GLU HA H 1 5.115 0.020 . 1 . . . . 87 GLU HA . 17263 1 1154 . 1 1 89 89 GLU HB2 H 1 2.010 0.020 . 1 . . . . 87 GLU HB2 . 17263 1 1155 . 1 1 89 89 GLU HB3 H 1 2.048 0.020 . 1 . . . . 87 GLU HB3 . 17263 1 1156 . 1 1 89 89 GLU HG2 H 1 2.249 0.020 . 1 . . . . 87 GLU HG2 . 17263 1 1157 . 1 1 89 89 GLU HG3 H 1 1.917 0.020 . 1 . . . . 87 GLU HG3 . 17263 1 1158 . 1 1 89 89 GLU C C 13 175.808 0.3 . 1 . . . . 87 GLU C . 17263 1 1159 . 1 1 89 89 GLU CA C 13 54.335 0.3 . 1 . . . . 87 GLU CA . 17263 1 1160 . 1 1 89 89 GLU CB C 13 32.165 0.3 . 1 . . . . 87 GLU CB . 17263 1 1161 . 1 1 89 89 GLU CG C 13 37.495 0.3 . 1 . . . . 87 GLU CG . 17263 1 1162 . 1 1 89 89 GLU N N 15 119.301 0.3 . 1 . . . . 87 GLU N . 17263 1 1163 . 1 1 90 90 ILE H H 1 9.544 0.020 . 1 . . . . 88 ILE H . 17263 1 1164 . 1 1 90 90 ILE HA H 1 5.281 0.020 . 1 . . . . 88 ILE HA . 17263 1 1165 . 1 1 90 90 ILE HB H 1 1.943 0.020 . 1 . . . . 88 ILE HB . 17263 1 1166 . 1 1 90 90 ILE HD11 H 1 0.837 0.020 . 1 . . . . 88 ILE HD1 . 17263 1 1167 . 1 1 90 90 ILE HD12 H 1 0.837 0.020 . 1 . . . . 88 ILE HD1 . 17263 1 1168 . 1 1 90 90 ILE HD13 H 1 0.837 0.020 . 1 . . . . 88 ILE HD1 . 17263 1 1169 . 1 1 90 90 ILE HG12 H 1 1.090 0.020 . 1 . . . . 88 ILE HG12 . 17263 1 1170 . 1 1 90 90 ILE HG13 H 1 1.454 0.020 . 1 . . . . 88 ILE HG13 . 17263 1 1171 . 1 1 90 90 ILE HG21 H 1 0.728 0.020 . 1 . . . . 88 ILE HG2 . 17263 1 1172 . 1 1 90 90 ILE HG22 H 1 0.728 0.020 . 1 . . . . 88 ILE HG2 . 17263 1 1173 . 1 1 90 90 ILE HG23 H 1 0.728 0.020 . 1 . . . . 88 ILE HG2 . 17263 1 1174 . 1 1 90 90 ILE C C 13 174.820 0.3 . 1 . . . . 88 ILE C . 17263 1 1175 . 1 1 90 90 ILE CA C 13 58.927 0.3 . 1 . . . . 88 ILE CA . 17263 1 1176 . 1 1 90 90 ILE CB C 13 38.919 0.3 . 1 . . . . 88 ILE CB . 17263 1 1177 . 1 1 90 90 ILE CD1 C 13 14.697 0.3 . 1 . . . . 88 ILE CD1 . 17263 1 1178 . 1 1 90 90 ILE CG1 C 13 27.986 0.3 . 1 . . . . 88 ILE CG1 . 17263 1 1179 . 1 1 90 90 ILE CG2 C 13 17.118 0.3 . 1 . . . . 88 ILE CG2 . 17263 1 1180 . 1 1 90 90 ILE N N 15 129.482 0.3 . 1 . . . . 88 ILE N . 17263 1 1181 . 1 1 91 91 GLY H H 1 9.560 0.020 . 1 . . . . 89 GLY H . 17263 1 1182 . 1 1 91 91 GLY HA2 H 1 5.258 0.020 . 1 . . . . 89 GLY HA2 . 17263 1 1183 . 1 1 91 91 GLY HA3 H 1 3.679 0.020 . 1 . . . . 89 GLY HA3 . 17263 1 1184 . 1 1 91 91 GLY C C 13 172.477 0.3 . 1 . . . . 89 GLY C . 17263 1 1185 . 1 1 91 91 GLY CA C 13 44.502 0.3 . 1 . . . . 89 GLY CA . 17263 1 1186 . 1 1 91 91 GLY N N 15 115.630 0.3 . 1 . . . . 89 GLY N . 17263 1 1187 . 1 1 92 92 ILE H H 1 8.466 0.020 . 1 . . . . 90 ILE H . 17263 1 1188 . 1 1 92 92 ILE HA H 1 4.727 0.020 . 1 . . . . 90 ILE HA . 17263 1 1189 . 1 1 92 92 ILE HB H 1 1.858 0.020 . 1 . . . . 90 ILE HB . 17263 1 1190 . 1 1 92 92 ILE HD11 H 1 0.495 0.020 . 1 . . . . 90 ILE HD1 . 17263 1 1191 . 1 1 92 92 ILE HD12 H 1 0.495 0.020 . 1 . . . . 90 ILE HD1 . 17263 1 1192 . 1 1 92 92 ILE HD13 H 1 0.495 0.020 . 1 . . . . 90 ILE HD1 . 17263 1 1193 . 1 1 92 92 ILE HG12 H 1 0.850 0.020 . 1 . . . . 90 ILE HG12 . 17263 1 1194 . 1 1 92 92 ILE HG13 H 1 1.509 0.020 . 1 . . . . 90 ILE HG13 . 17263 1 1195 . 1 1 92 92 ILE HG21 H 1 0.608 0.020 . 1 . . . . 90 ILE HG2 . 17263 1 1196 . 1 1 92 92 ILE HG22 H 1 0.608 0.020 . 1 . . . . 90 ILE HG2 . 17263 1 1197 . 1 1 92 92 ILE HG23 H 1 0.608 0.020 . 1 . . . . 90 ILE HG2 . 17263 1 1198 . 1 1 92 92 ILE C C 13 173.446 0.3 . 1 . . . . 90 ILE C . 17263 1 1199 . 1 1 92 92 ILE CA C 13 61.260 0.3 . 1 . . . . 90 ILE CA . 17263 1 1200 . 1 1 92 92 ILE CB C 13 37.881 0.3 . 1 . . . . 90 ILE CB . 17263 1 1201 . 1 1 92 92 ILE CD1 C 13 14.076 0.3 . 1 . . . . 90 ILE CD1 . 17263 1 1202 . 1 1 92 92 ILE CG1 C 13 26.745 0.3 . 1 . . . . 90 ILE CG1 . 17263 1 1203 . 1 1 92 92 ILE CG2 C 13 17.967 0.3 . 1 . . . . 90 ILE CG2 . 17263 1 1204 . 1 1 92 92 ILE N N 15 122.537 0.3 . 1 . . . . 90 ILE N . 17263 1 1205 . 1 1 93 93 LEU H H 1 8.912 0.020 . 1 . . . . 91 LEU H . 17263 1 1206 . 1 1 93 93 LEU HA H 1 5.030 0.020 . 1 . . . . 91 LEU HA . 17263 1 1207 . 1 1 93 93 LEU HB2 H 1 1.649 0.020 . 1 . . . . 91 LEU HB2 . 17263 1 1208 . 1 1 93 93 LEU HB3 H 1 1.458 0.020 . 1 . . . . 91 LEU HB3 . 17263 1 1209 . 1 1 93 93 LEU HD11 H 1 0.540 0.020 . 1 . . . . 91 LEU HD1 . 17263 1 1210 . 1 1 93 93 LEU HD12 H 1 0.540 0.020 . 1 . . . . 91 LEU HD1 . 17263 1 1211 . 1 1 93 93 LEU HD13 H 1 0.540 0.020 . 1 . . . . 91 LEU HD1 . 17263 1 1212 . 1 1 93 93 LEU HD21 H 1 0.440 0.020 . 1 . . . . 91 LEU HD2 . 17263 1 1213 . 1 1 93 93 LEU HD22 H 1 0.440 0.020 . 1 . . . . 91 LEU HD2 . 17263 1 1214 . 1 1 93 93 LEU HD23 H 1 0.440 0.020 . 1 . . . . 91 LEU HD2 . 17263 1 1215 . 1 1 93 93 LEU HG H 1 1.307 0.020 . 1 . . . . 91 LEU HG . 17263 1 1216 . 1 1 93 93 LEU CA C 13 52.904 0.3 . 1 . . . . 91 LEU CA . 17263 1 1217 . 1 1 93 93 LEU CB C 13 43.563 0.3 . 1 . . . . 91 LEU CB . 17263 1 1218 . 1 1 93 93 LEU CD1 C 13 25.508 0.3 . 1 . . . . 91 LEU CD1 . 17263 1 1219 . 1 1 93 93 LEU CD2 C 13 25.222 0.3 . 1 . . . . 91 LEU CD2 . 17263 1 1220 . 1 1 93 93 LEU CG C 13 27.972 0.3 . 1 . . . . 91 LEU CG . 17263 1 1221 . 1 1 93 93 LEU N N 15 127.335 0.3 . 1 . . . . 91 LEU N . 17263 1 1222 . 1 1 94 94 PRO HA H 1 4.850 0.020 . 1 . . . . 92 PRO HA . 17263 1 1223 . 1 1 94 94 PRO HB2 H 1 2.155 0.020 . 1 . . . . 92 PRO HB2 . 17263 1 1224 . 1 1 94 94 PRO HB3 H 1 2.209 0.020 . 1 . . . . 92 PRO HB3 . 17263 1 1225 . 1 1 94 94 PRO HD2 H 1 3.780 0.020 . 1 . . . . 92 PRO HD2 . 17263 1 1226 . 1 1 94 94 PRO HD3 H 1 3.865 0.020 . 1 . . . . 92 PRO HD3 . 17263 1 1227 . 1 1 94 94 PRO HG2 H 1 2.123 0.020 . 1 . . . . 92 PRO HG2 . 17263 1 1228 . 1 1 94 94 PRO HG3 H 1 2.123 0.020 . 1 . . . . 92 PRO HG3 . 17263 1 1229 . 1 1 94 94 PRO CA C 13 61.171 0.3 . 1 . . . . 92 PRO CA . 17263 1 1230 . 1 1 94 94 PRO CB C 13 30.843 0.3 . 1 . . . . 92 PRO CB . 17263 1 1231 . 1 1 94 94 PRO CD C 13 50.447 0.3 . 1 . . . . 92 PRO CD . 17263 1 1232 . 1 1 94 94 PRO CG C 13 27.255 0.3 . 1 . . . . 92 PRO CG . 17263 1 1233 . 1 1 95 95 PRO HA H 1 4.442 0.020 . 1 . . . . 93 PRO HA . 17263 1 1234 . 1 1 95 95 PRO HB2 H 1 1.892 0.020 . 1 . . . . 93 PRO HB2 . 17263 1 1235 . 1 1 95 95 PRO HB3 H 1 2.263 0.020 . 1 . . . . 93 PRO HB3 . 17263 1 1236 . 1 1 95 95 PRO HD2 H 1 3.608 0.020 . 1 . . . . 93 PRO HD2 . 17263 1 1237 . 1 1 95 95 PRO HD3 H 1 3.575 0.020 . 1 . . . . 93 PRO HD3 . 17263 1 1238 . 1 1 95 95 PRO HG2 H 1 1.940 0.020 . 1 . . . . 93 PRO HG2 . 17263 1 1239 . 1 1 95 95 PRO HG3 H 1 2.023 0.020 . 1 . . . . 93 PRO HG3 . 17263 1 1240 . 1 1 95 95 PRO C C 13 177.014 0.3 . 1 . . . . 93 PRO C . 17263 1 1241 . 1 1 95 95 PRO CA C 13 62.875 0.3 . 1 . . . . 93 PRO CA . 17263 1 1242 . 1 1 95 95 PRO CB C 13 31.929 0.3 . 1 . . . . 93 PRO CB . 17263 1 1243 . 1 1 95 95 PRO CD C 13 50.150 0.3 . 1 . . . . 93 PRO CD . 17263 1 1244 . 1 1 95 95 PRO CG C 13 27.689 0.3 . 1 . . . . 93 PRO CG . 17263 1 1245 . 1 1 96 96 VAL H H 1 8.235 0.020 . 1 . . . . 94 VAL H . 17263 1 1246 . 1 1 96 96 VAL HA H 1 4.117 0.020 . 1 . . . . 94 VAL HA . 17263 1 1247 . 1 1 96 96 VAL HB H 1 2.078 0.020 . 1 . . . . 94 VAL HB . 17263 1 1248 . 1 1 96 96 VAL HG11 H 1 0.947 0.020 . 2 . . . . 94 VAL HG1 . 17263 1 1249 . 1 1 96 96 VAL HG12 H 1 0.947 0.020 . 2 . . . . 94 VAL HG1 . 17263 1 1250 . 1 1 96 96 VAL HG13 H 1 0.947 0.020 . 2 . . . . 94 VAL HG1 . 17263 1 1251 . 1 1 96 96 VAL HG21 H 1 0.947 0.020 . 2 . . . . 94 VAL HG2 . 17263 1 1252 . 1 1 96 96 VAL HG22 H 1 0.947 0.020 . 2 . . . . 94 VAL HG2 . 17263 1 1253 . 1 1 96 96 VAL HG23 H 1 0.947 0.020 . 2 . . . . 94 VAL HG2 . 17263 1 1254 . 1 1 96 96 VAL C C 13 176.344 0.3 . 1 . . . . 94 VAL C . 17263 1 1255 . 1 1 96 96 VAL CA C 13 62.289 0.3 . 1 . . . . 94 VAL CA . 17263 1 1256 . 1 1 96 96 VAL CB C 13 32.864 0.3 . 1 . . . . 94 VAL CB . 17263 1 1257 . 1 1 96 96 VAL CG1 C 13 20.454 0.3 . 1 . . . . 94 VAL CG1 . 17263 1 1258 . 1 1 96 96 VAL CG2 C 13 21.186 0.3 . 1 . . . . 94 VAL CG2 . 17263 1 1259 . 1 1 96 96 VAL N N 15 120.425 0.3 . 1 . . . . 94 VAL N . 17263 1 1260 . 1 1 97 97 SER H H 1 8.399 0.020 . 1 . . . . 95 SER H . 17263 1 1261 . 1 1 97 97 SER HA H 1 4.475 0.020 . 1 . . . . 95 SER HA . 17263 1 1262 . 1 1 97 97 SER HB2 H 1 3.854 0.020 . 1 . . . . 95 SER HB2 . 17263 1 1263 . 1 1 97 97 SER HB3 H 1 3.876 0.020 . 1 . . . . 95 SER HB3 . 17263 1 1264 . 1 1 97 97 SER C C 13 174.889 0.3 . 1 . . . . 95 SER C . 17263 1 1265 . 1 1 97 97 SER CA C 13 58.295 0.3 . 1 . . . . 95 SER CA . 17263 1 1266 . 1 1 97 97 SER CB C 13 63.910 0.3 . 1 . . . . 95 SER CB . 17263 1 1267 . 1 1 97 97 SER N N 15 119.395 0.3 . 1 . . . . 95 SER N . 17263 1 1268 . 1 1 98 98 GLY H H 1 8.455 0.020 . 1 . . . . 96 GLY H . 17263 1 1269 . 1 1 98 98 GLY HA2 H 1 3.977 0.020 . 1 . . . . 96 GLY HA2 . 17263 1 1270 . 1 1 98 98 GLY HA3 H 1 3.993 0.020 . 1 . . . . 96 GLY HA3 . 17263 1 1271 . 1 1 98 98 GLY C C 13 173.577 0.3 . 1 . . . . 96 GLY C . 17263 1 1272 . 1 1 98 98 GLY CA C 13 45.354 0.3 . 1 . . . . 96 GLY CA . 17263 1 1273 . 1 1 98 98 GLY N N 15 111.822 0.3 . 1 . . . . 96 GLY N . 17263 1 1274 . 1 1 99 99 GLY H H 1 7.985 0.020 . 1 . . . . 97 GLY H . 17263 1 1275 . 1 1 99 99 GLY HA2 H 1 3.749 0.020 . 1 . . . . 97 GLY HA2 . 17263 1 1276 . 1 1 99 99 GLY HA3 H 1 3.768 0.020 . 1 . . . . 97 GLY HA3 . 17263 1 1277 . 1 1 99 99 GLY CA C 13 46.002 0.3 . 1 . . . . 97 GLY CA . 17263 1 1278 . 1 1 99 99 GLY N N 15 115.140 0.3 . 1 . . . . 97 GLY N . 17263 1 stop_ save_ ############################# # Hydrogen exchange rates # ############################# save_H_exch_rates _H_exch_rate_list.Sf_category H_exch_rates _H_exch_rate_list.Sf_framecode H_exch_rates _H_exch_rate_list.Entry_ID 17263 _H_exch_rate_list.ID 1 _H_exch_rate_list.Sample_condition_list_ID 1 _H_exch_rate_list.Sample_condition_list_label $sample_conditions_1 _H_exch_rate_list.Val_units s-1 _H_exch_rate_list.Details . _H_exch_rate_list.Text_data_format . _H_exch_rate_list.Text_data . loop_ _H_exch_rate_experiment.Experiment_ID _H_exch_rate_experiment.Experiment_name _H_exch_rate_experiment.Sample_ID _H_exch_rate_experiment.Sample_label _H_exch_rate_experiment.Sample_state _H_exch_rate_experiment.Entry_ID _H_exch_rate_experiment.H_exch_rate_list_ID 11 '2D 1H-15N HSQC' 2 $sample_2 . 17263 1 stop_ loop_ _H_exch_rate.ID _H_exch_rate.Assembly_atom_ID _H_exch_rate.Entity_assembly_ID _H_exch_rate.Entity_ID _H_exch_rate.Comp_index_ID _H_exch_rate.Seq_ID _H_exch_rate.Comp_ID _H_exch_rate.Atom_ID _H_exch_rate.Atom_type _H_exch_rate.Atom_isotope_number _H_exch_rate.Val _H_exch_rate.Val_min _H_exch_rate.Val_max _H_exch_rate.Val_err _H_exch_rate.Resonance_ID _H_exch_rate.Auth_entity_assembly_ID _H_exch_rate.Auth_seq_ID _H_exch_rate.Auth_comp_ID _H_exch_rate.Auth_atom_ID _H_exch_rate.Entry_ID _H_exch_rate.H_exch_rate_list_ID 1 . 1 1 5 5 GLU H H 1 0.00183 . . . . . 3 E H 17263 1 2 . 1 1 7 7 LYS H H 1 0.000622 . . . . . 5 K H 17263 1 3 . 1 1 8 8 VAL H H 1 0.000308 . . . . . 6 V H 17263 1 4 . 1 1 9 9 LYS H H 1 0.000663 . . . . . 7 K H 17263 1 5 . 1 1 10 10 LEU H H 1 0.0026 . . . . . 8 L H 17263 1 6 . 1 1 11 11 PHE H H 1 0.0018 . . . . . 9 F H 17263 1 7 . 1 1 25 25 LEU H H 1 0.000226 . . . . . 23 L H 17263 1 8 . 1 1 27 27 GLY H H 1 0.00201 . . . . . 25 G H 17263 1 9 . 1 1 29 29 LYS H H 1 0.000243 . . . . . 27 K H 17263 1 10 . 1 1 30 30 VAL H H 1 0.000149 . . . . . 28 V H 17263 1 11 . 1 1 31 31 ILE H H 1 0.0000177 . . . . . 29 I H 17263 1 12 . 1 1 33 33 VAL H H 1 0.0000131 . . . . . 31 V H 17263 1 13 . 1 1 34 34 LEU H H 1 0.00000333 . . . . . 32 L H 17263 1 14 . 1 1 36 36 SER H H 1 0.000991 . . . . . 34 S H 17263 1 15 . 1 1 38 38 THR H H 1 0.000051 . . . . . 36 T H 17263 1 16 . 1 1 39 39 ASP H H 1 0.000163 . . . . . 37 D H 17263 1 17 . 1 1 40 40 LYS H H 1 0.00146 . . . . . 38 K H 17263 1 18 . 1 1 41 41 TYR H H 1 0.0000151 . . . . . 39 Y H 17263 1 19 . 1 1 44 44 LEU H H 1 0.000163 . . . . . 42 L H 17263 1 20 . 1 1 45 45 LYS H H 1 0.000493 . . . . . 43 K H 17263 1 21 . 1 1 47 47 VAL H H 1 0.00158 . . . . . 45 V H 17263 1 22 . 1 1 48 48 ILE H H 1 0.0000179 . . . . . 46 I H 17263 1 23 . 1 1 49 49 PHE H H 1 0.00003 . . . . . 47 F H 17263 1 24 . 1 1 60 60 ILE H H 1 0.00292 . . . . . 58 I H 17263 1 25 . 1 1 66 66 ASN H H 1 0.00412 . . . . . 64 N H 17263 1 26 . 1 1 67 67 ILE H H 1 0.00413 . . . . . 65 I H 17263 1 27 . 1 1 68 68 LEU H H 1 0.00000925 . . . . . 66 L H 17263 1 28 . 1 1 69 69 ILE H H 1 0.0000069 . . . . . 67 I H 17263 1 29 . 1 1 72 72 ASN H H 1 0.000617 . . . . . 70 N H 17263 1 30 . 1 1 79 79 GLY H H 1 0.00598 . . . . . 77 G H 17263 1 31 . 1 1 81 81 GLU H H 1 0.00139 . . . . . 79 E H 17263 1 32 . 1 1 82 82 THR H H 1 0.00042 . . . . . 80 T H 17263 1 33 . 1 1 83 83 LEU H H 1 0.000475 . . . . . 81 L H 17263 1 34 . 1 1 84 84 LEU H H 1 0.000028 . . . . . 82 L H 17263 1 35 . 1 1 85 85 LYS H H 1 0.0000895 . . . . . 83 K H 17263 1 36 . 1 1 88 88 ASP H H 1 0.000324 . . . . . 86 D H 17263 1 37 . 1 1 89 89 GLU H H 1 0.0000895 . . . . . 87 E H 17263 1 38 . 1 1 90 90 ILE H H 1 0.0000881 . . . . . 88 I H 17263 1 39 . 1 1 91 91 GLY H H 1 0.000241 . . . . . 89 G H 17263 1 40 . 1 1 92 92 ILE H H 1 0.000119 . . . . . 90 I H 17263 1 41 . 1 1 93 93 LEU H H 1 0.000101 . . . . . 91 L H 17263 1 stop_ save_ ########################################## # Hydrogen exchange protection factors # ########################################## save_H_exch_protection_factors _H_exch_protection_factor_list.Sf_category H_exch_protection_factors _H_exch_protection_factor_list.Sf_framecode H_exch_protection_factors _H_exch_protection_factor_list.Entry_ID 17263 _H_exch_protection_factor_list.ID 1 _H_exch_protection_factor_list.Sample_condition_list_ID 1 _H_exch_protection_factor_list.Sample_condition_list_label $sample_conditions_1 _H_exch_protection_factor_list.Std_values_source_cit_ID 1 _H_exch_protection_factor_list.Std_values_source_cit_label $entry_citation _H_exch_protection_factor_list.Details . _H_exch_protection_factor_list.Text_data_format . _H_exch_protection_factor_list.Text_data . loop_ _H_exch_protection_fact_experiment.Experiment_ID _H_exch_protection_fact_experiment.Experiment_name _H_exch_protection_fact_experiment.Sample_ID _H_exch_protection_fact_experiment.Sample_label _H_exch_protection_fact_experiment.Sample_state _H_exch_protection_fact_experiment.Entry_ID _H_exch_protection_fact_experiment.H_exch_protection_factor_list_ID 11 '2D 1H-15N HSQC' 2 $sample_2 . 17263 1 stop_ loop_ _H_exch_protection_factor.ID _H_exch_protection_factor.Assembly_atom_ID _H_exch_protection_factor.Entity_assembly_ID _H_exch_protection_factor.Entity_ID _H_exch_protection_factor.Comp_index_ID _H_exch_protection_factor.Seq_ID _H_exch_protection_factor.Comp_ID _H_exch_protection_factor.Atom_ID _H_exch_protection_factor.Atom_type _H_exch_protection_factor.Atom_isotope_number _H_exch_protection_factor.Calculated_intrinsic_rate _H_exch_protection_factor.Val _H_exch_protection_factor.Val_err _H_exch_protection_factor.Resonance_ID _H_exch_protection_factor.Auth_entity_assembly_ID _H_exch_protection_factor.Auth_seq_ID _H_exch_protection_factor.Auth_comp_ID _H_exch_protection_factor.Auth_atom_ID _H_exch_protection_factor.Entry_ID _H_exch_protection_factor.H_exch_protection_factor_list_ID 1 . 1 1 5 5 GLU H H 1 0.87 4.750E+02 . . . 3 E H 17263 1 2 . 1 1 7 7 LYS H H 1 1.798 2.891E+03 . . . 5 K H 17263 1 3 . 1 1 8 8 VAL H H 1 0.713 2.314E+03 . . . 6 V H 17263 1 4 . 1 1 9 9 LYS H H 1 1.798 2.712E+03 . . . 7 K H 17263 1 5 . 1 1 10 10 LEU H H 1 0.952 3.660E+02 . . . 8 L H 17263 1 6 . 1 1 11 11 PHE H H 1 0.975 5.420E+02 . . . 9 F H 17263 1 7 . 1 1 25 25 LEU H H 1 0.415 1.838E+03 . . . 23 L H 17263 1 8 . 1 1 27 27 GLY H H 1 10.036 4.993E+03 . . . 25 G H 17263 1 9 . 1 1 29 29 LYS H H 1 1.789 7.363E+03 . . . 27 K H 17263 1 10 . 1 1 30 30 VAL H H 1 0.713 4.782E+03 . . . 28 V H 17263 1 11 . 1 1 31 31 ILE H H 1 0.367 2.074E+04 . . . 29 I H 17263 1 12 . 1 1 33 33 VAL H H 1 0.362 2.763E+04 . . . 31 V H 17263 1 13 . 1 1 34 34 LEU H H 1 0.523 1.571E+05 . . . 32 L H 17263 1 14 . 1 1 36 36 SER H H 1 3.933 3.969E+03 . . . 34 S H 17263 1 15 . 1 1 38 38 THR H H 1 1.44 2.825E+04 . . . 36 T H 17263 1 16 . 1 1 39 39 ASP H H 1 2.212 1.357E+04 . . . 37 D H 17263 1 17 . 1 1 40 40 LYS H H 1 1.662 1.138E+03 . . . 38 K H 17263 1 18 . 1 1 41 41 TYR H H 1 1.927 1.276E+05 . . . 39 Y H 17263 1 19 . 1 1 44 44 LEU H H 1 0.722 4.429E+03 . . . 42 L H 17263 1 20 . 1 1 45 45 LYS H H 1 1.53 3.104E+03 . . . 43 K H 17263 1 21 . 1 1 47 47 VAL H H 1 0.607 3.840E+02 . . . 45 V H 17263 1 22 . 1 1 48 48 ILE H H 1 0.367 2.051E+04 . . . 46 I H 17263 1 23 . 1 1 49 49 PHE H H 1 0.931 3.103E+04 . . . 47 F H 17263 1 24 . 1 1 60 60 ILE H H 1 0.312 1.070E+02 . . . 58 I H 17263 1 25 . 1 1 66 66 ASN H H 1 4.952 1.202E+03 . . . 64 N H 17263 1 26 . 1 1 67 67 ILE H H 1 1.059 2.560E+02 . . . 65 I H 17263 1 27 . 1 1 68 68 LEU H H 1 0.425 4.596E+04 . . . 66 L H 17263 1 28 . 1 1 69 69 ILE H H 1 0.312 4.528E+04 . . . 67 I H 17263 1 29 . 1 1 72 72 ASN H H 1 12.439 2.016E+04 . . . 70 N H 17263 1 30 . 1 1 79 79 GLY H H 1 3.63 6.070E+02 . . . 77 G H 17263 1 31 . 1 1 81 81 GLU H H 1 0.536 3.860E+02 . . . 79 E H 17263 1 32 . 1 1 82 82 THR H H 1 1.684 4.010E+03 . . . 80 T H 17263 1 33 . 1 1 83 83 LEU H H 1 1.144 2.409E+03 . . . 81 L H 17263 1 34 . 1 1 84 84 LEU H H 1 0.445 1.590E+04 . . . 82 L H 17263 1 35 . 1 1 85 85 LYS H H 1 1.53 1.710E+04 . . . 83 K H 17263 1 36 . 1 1 88 88 ASP H H 1 2.782 8.587E+03 . . . 86 D H 17263 1 37 . 1 1 89 89 GLU H H 1 0.582 6.507E+03 . . . 87 E H 17263 1 38 . 1 1 90 90 ILE H H 1 0.365 4.146E+03 . . . 88 I H 17263 1 39 . 1 1 91 91 GLY H H 1 2.965 1.230E+04 . . . 89 G H 17263 1 40 . 1 1 92 92 ILE H H 1 0.749 6.298E+03 . . . 90 I H 17263 1 41 . 1 1 93 93 LEU H H 1 0.425 4.209E+03 . . . 91 L H 17263 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs _Heteronucl_NOE_list.Entry_ID 17263 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 110.234 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 '2D 15N{1H}-NOE-[15N,1H]-HSQC' 1 $sample_1 . 17263 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 MET H H 1 . 1 1 3 3 MET N N 15 -0.03 . . . . 1 M H . 1 M N 17263 1 2 . 1 1 4 4 ALA H H 1 . 1 1 4 4 ALA N N 15 0.48 . . . . 2 A H . 2 A N 17263 1 3 . 1 1 5 5 GLU H H 1 . 1 1 5 5 GLU N N 15 0.73 . . . . 3 E H . 3 E N 17263 1 4 . 1 1 7 7 LYS H H 1 . 1 1 7 7 LYS N N 15 0.67 . . . . 5 K H . 5 K N 17263 1 5 . 1 1 9 9 LYS H H 1 . 1 1 9 9 LYS N N 15 0.73 . . . . 7 K H . 7 K N 17263 1 6 . 1 1 10 10 LEU H H 1 . 1 1 10 10 LEU N N 15 0.77 . . . . 8 L H . 8 L N 17263 1 7 . 1 1 11 11 PHE H H 1 . 1 1 11 11 PHE N N 15 0.78 . . . . 9 F H . 9 F N 17263 1 8 . 1 1 13 13 ASN H H 1 . 1 1 13 13 ASN N N 15 0.73 . . . . 11 N H . 11 N N 17263 1 9 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.77 . . . . 12 L H . 12 L N 17263 1 10 . 1 1 15 15 ARG H H 1 . 1 1 15 15 ARG N N 15 0.73 . . . . 13 R H . 13 R N 17263 1 11 . 1 1 16 16 GLU H H 1 . 1 1 16 16 GLU N N 15 0.70 . . . . 14 E H . 14 E N 17263 1 12 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.73 . . . . 15 A H . 15 A N 17263 1 13 . 1 1 19 19 GLY H H 1 . 1 1 19 19 GLY N N 15 0.72 . . . . 17 G H . 17 G N 17263 1 14 . 1 1 20 20 THR H H 1 . 1 1 20 20 THR N N 15 0.75 . . . . 18 T H . 18 T N 17263 1 15 . 1 1 23 23 LEU H H 1 . 1 1 23 23 LEU N N 15 0.75 . . . . 21 L H . 21 L N 17263 1 16 . 1 1 25 25 LEU H H 1 . 1 1 25 25 LEU N N 15 0.78 . . . . 23 L H . 23 L N 17263 1 17 . 1 1 26 26 SER H H 1 . 1 1 26 26 SER N N 15 0.76 . . . . 24 S H . 24 S N 17263 1 18 . 1 1 27 27 GLY H H 1 . 1 1 27 27 GLY N N 15 0.76 . . . . 25 G H . 25 G N 17263 1 19 . 1 1 28 28 GLU H H 1 . 1 1 28 28 GLU N N 15 0.73 . . . . 26 E H . 26 E N 17263 1 20 . 1 1 29 29 LYS H H 1 . 1 1 29 29 LYS N N 15 0.74 . . . . 27 K H . 27 K N 17263 1 21 . 1 1 31 31 ILE H H 1 . 1 1 31 31 ILE N N 15 0.78 . . . . 29 I H . 29 I N 17263 1 22 . 1 1 32 32 ASP H H 1 . 1 1 32 32 ASP N N 15 0.77 . . . . 30 D H . 30 D N 17263 1 23 . 1 1 33 33 VAL H H 1 . 1 1 33 33 VAL N N 15 0.77 . . . . 31 V H . 31 V N 17263 1 24 . 1 1 34 34 LEU H H 1 . 1 1 34 34 LEU N N 15 0.81 . . . . 32 L H . 32 L N 17263 1 25 . 1 1 36 36 SER H H 1 . 1 1 36 36 SER N N 15 0.76 . . . . 34 S H . 34 S N 17263 1 26 . 1 1 38 38 THR H H 1 . 1 1 38 38 THR N N 15 0.80 . . . . 36 T H . 36 T N 17263 1 27 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 0.78 . . . . 37 D H . 37 D N 17263 1 28 . 1 1 40 40 LYS H H 1 . 1 1 40 40 LYS N N 15 0.77 . . . . 38 K H . 38 K N 17263 1 29 . 1 1 43 43 ALA H H 1 . 1 1 43 43 ALA N N 15 0.78 . . . . 41 A H . 41 A N 17263 1 30 . 1 1 44 44 LEU H H 1 . 1 1 44 44 LEU N N 15 0.76 . . . . 42 L H . 42 L N 17263 1 31 . 1 1 45 45 LYS H H 1 . 1 1 45 45 LYS N N 15 0.78 . . . . 43 K H . 43 K N 17263 1 32 . 1 1 47 47 VAL H H 1 . 1 1 47 47 VAL N N 15 0.77 . . . . 45 V H . 45 V N 17263 1 33 . 1 1 48 48 ILE H H 1 . 1 1 48 48 ILE N N 15 0.73 . . . . 46 I H . 46 I N 17263 1 34 . 1 1 49 49 PHE H H 1 . 1 1 49 49 PHE N N 15 0.75 . . . . 47 F H . 47 F N 17263 1 35 . 1 1 50 50 GLU H H 1 . 1 1 50 50 GLU N N 15 0.76 . . . . 48 E H . 48 E N 17263 1 36 . 1 1 51 51 LYS H H 1 . 1 1 51 51 LYS N N 15 0.53 . . . . 49 K H . 49 K N 17263 1 37 . 1 1 52 52 GLY H H 1 . 1 1 52 52 GLY N N 15 0.45 . . . . 50 G H . 50 G N 17263 1 38 . 1 1 53 53 ASP H H 1 . 1 1 53 53 ASP N N 15 0.40 . . . . 51 D H . 51 D N 17263 1 39 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 0.36 . . . . 53 K H . 53 K N 17263 1 40 . 1 1 56 56 SER H H 1 . 1 1 56 56 SER N N 15 0.38 . . . . 54 S H . 54 S N 17263 1 41 . 1 1 57 57 GLU H H 1 . 1 1 57 57 GLU N N 15 0.31 . . . . 55 E H . 55 E N 17263 1 42 . 1 1 58 58 ILE H H 1 . 1 1 58 58 ILE N N 15 0.32 . . . . 56 I H . 56 I N 17263 1 43 . 1 1 59 59 LEU H H 1 . 1 1 59 59 LEU N N 15 0.41 . . . . 57 L H . 57 L N 17263 1 44 . 1 1 60 60 ILE H H 1 . 1 1 60 60 ILE N N 15 0.66 . . . . 58 I H . 58 I N 17263 1 45 . 1 1 61 61 LEU H H 1 . 1 1 61 61 LEU N N 15 0.72 . . . . 59 L H . 59 L N 17263 1 46 . 1 1 63 63 GLY H H 1 . 1 1 63 63 GLY N N 15 0.77 . . . . 61 G H . 61 G N 17263 1 47 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.71 . . . . 62 S H . 62 S N 17263 1 48 . 1 1 65 65 ILE H H 1 . 1 1 65 65 ILE N N 15 0.66 . . . . 63 I H . 63 I N 17263 1 49 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.81 . . . . 64 N H . 64 N N 17263 1 50 . 1 1 67 67 ILE H H 1 . 1 1 67 67 ILE N N 15 0.78 . . . . 65 I H . 65 I N 17263 1 51 . 1 1 68 68 LEU H H 1 . 1 1 68 68 LEU N N 15 0.78 . . . . 66 L H . 66 L N 17263 1 52 . 1 1 69 69 ILE H H 1 . 1 1 69 69 ILE N N 15 0.77 . . . . 67 I H . 67 I N 17263 1 53 . 1 1 70 70 ASN H H 1 . 1 1 70 70 ASN N N 15 0.78 . . . . 68 N H . 68 N N 17263 1 54 . 1 1 71 71 GLY H H 1 . 1 1 71 71 GLY N N 15 0.76 . . . . 69 G H . 69 G N 17263 1 55 . 1 1 72 72 ASN H H 1 . 1 1 72 72 ASN N N 15 0.81 . . . . 70 N H . 70 N N 17263 1 56 . 1 1 73 73 ASN H H 1 . 1 1 73 73 ASN N N 15 0.86 . . . . 71 N H . 71 N N 17263 1 57 . 1 1 76 76 HIS H H 1 . 1 1 76 76 HIS N N 15 0.73 . . . . 74 H H . 74 H N 17263 1 58 . 1 1 77 77 LEU H H 1 . 1 1 77 77 LEU N N 15 0.76 . . . . 75 L H . 75 L N 17263 1 59 . 1 1 78 78 GLU H H 1 . 1 1 78 78 GLU N N 15 0.78 . . . . 76 E H . 76 E N 17263 1 60 . 1 1 79 79 GLY H H 1 . 1 1 79 79 GLY N N 15 0.80 . . . . 77 G H . 77 G N 17263 1 61 . 1 1 81 81 GLU H H 1 . 1 1 81 81 GLU N N 15 0.72 . . . . 79 E H . 79 E N 17263 1 62 . 1 1 82 82 THR H H 1 . 1 1 82 82 THR N N 15 0.79 . . . . 80 T H . 80 T N 17263 1 63 . 1 1 83 83 LEU H H 1 . 1 1 83 83 LEU N N 15 0.75 . . . . 81 L H . 81 L N 17263 1 64 . 1 1 84 84 LEU H H 1 . 1 1 84 84 LEU N N 15 0.77 . . . . 82 L H . 82 L N 17263 1 65 . 1 1 85 85 LYS H H 1 . 1 1 85 85 LYS N N 15 0.74 . . . . 83 K H . 83 K N 17263 1 66 . 1 1 86 86 ASP H H 1 . 1 1 86 86 ASP N N 15 0.78 . . . . 84 D H . 84 D N 17263 1 67 . 1 1 87 87 SER H H 1 . 1 1 87 87 SER N N 15 0.77 . . . . 85 S H . 85 S N 17263 1 68 . 1 1 88 88 ASP H H 1 . 1 1 88 88 ASP N N 15 0.76 . . . . 86 D H . 86 D N 17263 1 69 . 1 1 89 89 GLU H H 1 . 1 1 89 89 GLU N N 15 0.70 . . . . 87 E H . 87 E N 17263 1 70 . 1 1 90 90 ILE H H 1 . 1 1 90 90 ILE N N 15 0.74 . . . . 88 I H . 88 I N 17263 1 71 . 1 1 91 91 GLY H H 1 . 1 1 91 91 GLY N N 15 0.77 . . . . 89 G H . 89 G N 17263 1 72 . 1 1 92 92 ILE H H 1 . 1 1 92 92 ILE N N 15 0.77 . . . . 90 I H . 90 I N 17263 1 73 . 1 1 93 93 LEU H H 1 . 1 1 93 93 LEU N N 15 0.80 . . . . 91 L H . 91 L N 17263 1 74 . 1 1 97 97 SER H H 1 . 1 1 97 97 SER N N 15 -0.38 . . . . 95 S H . 95 S N 17263 1 75 . 1 1 98 98 GLY H H 1 . 1 1 98 98 GLY N N 15 -1.01 . . . . 96 G H . 96 G N 17263 1 76 . 1 1 99 99 GLY H H 1 . 1 1 99 99 GLY N N 15 -2.01 . . . . 97 G H . 97 G N 17263 1 stop_ save_