data_17593 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17593 _Entry.Title ; NMR analysis of TM1_TM2 in TFE:water(0.1%TFA) (1:1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-14 _Entry.Accession_date 2011-04-14 _Entry.Last_release_date 2012-08-07 _Entry.Original_release_date 2012-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Leah Cohen . S. . 17593 2 Oliver Zerbe . . . 17593 3 Fred Naider . . . 17593 4 Boris Arshava . . . 17593 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17593 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 17593 '15N chemical shifts' 89 17593 '1H chemical shifts' 575 17593 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-07 2011-04-14 original author . 17593 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17593 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21791199 _Citation.Full_citation . _Citation.Title 'Comparative NMR analysis of an 80-residue G protein-coupled receptor fragment in two membrane mimetic environments' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1808 _Citation.Journal_issue 11 _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 2674 _Citation.Page_last 2684 _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.Entry_ID _Citation_author.Citation_ID 1 Leah Cohen . S. . 17593 1 2 Boris Arshava . . . 17593 1 3 Alexey Neumoin . . . 17593 1 4 Jeffrey Becker . M. . 17593 1 5 Peter Geuntert . . . 17593 1 6 Oliver Zerbe . . . 17593 1 7 Fred Naider . . . 17593 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17593 _Assembly.ID 1 _Assembly.Name 'TM1_TM2 in TFE:water' _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 8757.232 _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 TM1_TM2 1 $TM1_TM2 A . yes native no no . . . 17593 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM1_TM2 _Entity.Sf_category entity _Entity.Sf_framecode TM1_TM2 _Entity.Entry_ID 17593 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM1_TM2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNGSTITFDELQGLVNSTVT QAILFGVRSGAAALTLIVVW ITSRSRKTPIFIINQVSLFL IILHSALYFKYLLSNYSSVT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 31-110 _Entity.Polymer_author_seq_details . _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no BMRB 15995 . "TM1_TM2 in LPPG micelles" . . . . . 100.00 80 100.00 100.00 2.06e-47 . . . . 17593 1 no BMRB 17211 . Ste2p_TM1-TM3_(G31-R161) . . . . . 100.00 131 100.00 100.00 7.50e-47 . . . . 17593 1 no PDB 2K9P . "Structure Of Tm1_tm2 In Lppg Micelles" . . . . . 100.00 80 100.00 100.00 2.06e-47 . . . . 17593 1 stop_ 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 31 GLY . 17593 1 2 32 ASN . 17593 1 3 33 GLY . 17593 1 4 34 SER . 17593 1 5 35 THR . 17593 1 6 36 ILE . 17593 1 7 37 THR . 17593 1 8 38 PHE . 17593 1 9 39 ASP . 17593 1 10 40 GLU . 17593 1 11 41 LEU . 17593 1 12 42 GLN . 17593 1 13 43 GLY . 17593 1 14 44 LEU . 17593 1 15 45 VAL . 17593 1 16 46 ASN . 17593 1 17 47 SER . 17593 1 18 48 THR . 17593 1 19 49 VAL . 17593 1 20 50 THR . 17593 1 21 51 GLN . 17593 1 22 52 ALA . 17593 1 23 53 ILE . 17593 1 24 54 LEU . 17593 1 25 55 PHE . 17593 1 26 56 GLY . 17593 1 27 57 VAL . 17593 1 28 58 ARG . 17593 1 29 59 SER . 17593 1 30 60 GLY . 17593 1 31 61 ALA . 17593 1 32 62 ALA . 17593 1 33 63 ALA . 17593 1 34 64 LEU . 17593 1 35 65 THR . 17593 1 36 66 LEU . 17593 1 37 67 ILE . 17593 1 38 68 VAL . 17593 1 39 69 VAL . 17593 1 40 70 TRP . 17593 1 41 71 ILE . 17593 1 42 72 THR . 17593 1 43 73 SER . 17593 1 44 74 ARG . 17593 1 45 75 SER . 17593 1 46 76 ARG . 17593 1 47 77 LYS . 17593 1 48 78 THR . 17593 1 49 79 PRO . 17593 1 50 80 ILE . 17593 1 51 81 PHE . 17593 1 52 82 ILE . 17593 1 53 83 ILE . 17593 1 54 84 ASN . 17593 1 55 85 GLN . 17593 1 56 86 VAL . 17593 1 57 87 SER . 17593 1 58 88 LEU . 17593 1 59 89 PHE . 17593 1 60 90 LEU . 17593 1 61 91 ILE . 17593 1 62 92 ILE . 17593 1 63 93 LEU . 17593 1 64 94 HIS . 17593 1 65 95 SER . 17593 1 66 96 ALA . 17593 1 67 97 LEU . 17593 1 68 98 TYR . 17593 1 69 99 PHE . 17593 1 70 100 LYS . 17593 1 71 101 TYR . 17593 1 72 102 LEU . 17593 1 73 103 LEU . 17593 1 74 104 SER . 17593 1 75 105 ASN . 17593 1 76 106 TYR . 17593 1 77 107 SER . 17593 1 78 108 SER . 17593 1 79 109 VAL . 17593 1 80 110 THR . 17593 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 17593 1 . ASN 2 2 17593 1 . GLY 3 3 17593 1 . SER 4 4 17593 1 . THR 5 5 17593 1 . ILE 6 6 17593 1 . THR 7 7 17593 1 . PHE 8 8 17593 1 . ASP 9 9 17593 1 . GLU 10 10 17593 1 . LEU 11 11 17593 1 . GLN 12 12 17593 1 . GLY 13 13 17593 1 . LEU 14 14 17593 1 . VAL 15 15 17593 1 . ASN 16 16 17593 1 . SER 17 17 17593 1 . THR 18 18 17593 1 . VAL 19 19 17593 1 . THR 20 20 17593 1 . GLN 21 21 17593 1 . ALA 22 22 17593 1 . ILE 23 23 17593 1 . LEU 24 24 17593 1 . PHE 25 25 17593 1 . GLY 26 26 17593 1 . VAL 27 27 17593 1 . ARG 28 28 17593 1 . SER 29 29 17593 1 . GLY 30 30 17593 1 . ALA 31 31 17593 1 . ALA 32 32 17593 1 . ALA 33 33 17593 1 . LEU 34 34 17593 1 . THR 35 35 17593 1 . LEU 36 36 17593 1 . ILE 37 37 17593 1 . VAL 38 38 17593 1 . VAL 39 39 17593 1 . TRP 40 40 17593 1 . ILE 41 41 17593 1 . THR 42 42 17593 1 . SER 43 43 17593 1 . ARG 44 44 17593 1 . SER 45 45 17593 1 . ARG 46 46 17593 1 . LYS 47 47 17593 1 . THR 48 48 17593 1 . PRO 49 49 17593 1 . ILE 50 50 17593 1 . PHE 51 51 17593 1 . ILE 52 52 17593 1 . ILE 53 53 17593 1 . ASN 54 54 17593 1 . GLN 55 55 17593 1 . VAL 56 56 17593 1 . SER 57 57 17593 1 . LEU 58 58 17593 1 . PHE 59 59 17593 1 . LEU 60 60 17593 1 . ILE 61 61 17593 1 . ILE 62 62 17593 1 . LEU 63 63 17593 1 . HIS 64 64 17593 1 . SER 65 65 17593 1 . ALA 66 66 17593 1 . LEU 67 67 17593 1 . TYR 68 68 17593 1 . PHE 69 69 17593 1 . LYS 70 70 17593 1 . TYR 71 71 17593 1 . LEU 72 72 17593 1 . LEU 73 73 17593 1 . SER 74 74 17593 1 . ASN 75 75 17593 1 . TYR 76 76 17593 1 . SER 77 77 17593 1 . SER 78 78 17593 1 . VAL 79 79 17593 1 . THR 80 80 17593 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 17593 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TM1_TM2 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Metazoa Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17593 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 17593 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TM1_TM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pLC01 . . . . . . 17593 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17593 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'for backbone assignment' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TFE TFE-d2 . . . . . . 50 . . % . . . . 17593 1 2 H2O 'natural abundance' . . . . . . 50 . . % . . . . 17593 1 3 TFA 'natural abundance' . . . . . . 0.05 . . % . . . . 17593 1 4 TM1_TM2 '[U-100% 13C; U-100% 15N]' . . 1 $TM1_TM2 . . 0.5 . . mM . . . . 17593 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17593 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Hydrogen-deuterium exchange' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TFE TFE-d3 . . . . . . 50 . . % . . . . 17593 2 2 D2O [U-2H] . . . . . . 50 . . % . . . . 17593 2 3 TFA TFA-d . . . . . . 0.05 . . % . . . . 17593 2 4 TM1_TM2 '[U-100% 15N]' . . 1 $TM1_TM2 . . 0.3 . . mM . . . . 17593 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17593 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-NOESY and 15N-TOCSY' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TFE TFE-d2 . . . . . . 50 . . % . . . . 17593 3 2 H2O 'natural abundance' . . . . . . 50 . . % . . . . 17593 3 3 TFA 'natural abundance' . . . . . . 0.05 . . % . . . . 17593 3 4 TM1_TM2 '[U-100% 15N]' . . 1 $TM1_TM2 . . 0.3 . . mM . . . . 17593 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17593 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HCCH-TOCSY, 13C-edited TOCY, 13C-edited NOESY' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TFE TFE-d2 . . . . . . 50 . . % . . . . 17593 4 2 H2O 'natural abundance' . . . . . . 50 . . % . . . . 17593 4 3 TFA 'natural abundance' . . . . . . 0.05 . . % . . . . 17593 4 4 TM1_TM2 '[U-13C; U-15N]' . . 1 $TM1_TM2 . . 0.5 . . mM . . . . 17593 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17593 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-HSQC and 13C-NOESY-HSQC-NOESY on selectively protonated Me-groups of Ile, Leu and Val residues on otherwise perdeuterated background' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TFE TFE-d3 . . . . . . 50 . . % . . . . 17593 5 2 D2O '[U-100% 2H]' . . . . . . 50 . . % . . . . 17593 5 3 TFA TFA-d . . . . . . 0.05 . . % . . . . 17593 5 4 TM1_TM2 '[U-100% 13C; U-100% 15N; >98% 2H; Me(Ile(Hd1), Leu(Hd), Val(Hg)) 1H]' . . 1 $TM1_TM2 . . 0.4 . . mM . . . . 17593 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 17593 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NOESY and TOCY' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TFE TFE-d2 . . . . . . 50 . . % . . . . 17593 6 2 H2O 'natural abundance' . . . . . . 50 . . % . . . . 17593 6 3 TFA 'natural abundance' . . . . . . 0.05 . . % . . . . 17593 6 4 TM1_TM2 'natural abundance' . . 1 $TM1_TM2 . . 0.5 . . mM . . . . 17593 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 17593 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details HNOE _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 TFE TFE-d2 . . . . . . 50 . . % . . . . 17593 7 2 H2O 'natural abundance' . . . . . . 50 . . % . . . . 17593 7 3 TFA 'natural abundance' . . . . . . 0.05 . . % . . . . 17593 7 4 TM1_TM2 '[U-100% 15N]' . . 1 $TM1_TM2 . . 0.3 . . mM . . . . 17593 7 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 17593 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 2 . pH 17593 1 pressure 1.0 . atm 17593 1 temperature 273 . K 17593 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17593 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17593 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17593 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17593 _Software.ID 2 _Software.Name XEASY _Software.Version 55 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17593 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17593 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17593 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17593 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17593 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17593 _Software.ID 4 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17593 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17593 4 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 17593 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'all triple resonance experiments for assignment, 15N-NOESY, 15N-TOCSY, HCCH-TOCSY, HD exchange, 15N-relaxation' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Direct Drive NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17593 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 13C-NOESY-HSQC-NOESY _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17593 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'HMCMCBCANH and HMCMCANH' _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 17593 _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 Varian 'Direct Drive NMR System' . 600 'all triple resonance experiments for assignment, 15N-NOESY, 15N-TOCSY, HCCH-TOCSY, HD exchange, 15N-relaxation' . . 17593 1 2 spectrometer_2 Bruker Avance . 900 13C-NOESY-HSQC-NOESY . . 17593 1 3 spectrometer_3 Bruker Avance . 700 'HMCMCBCANH and HMCMCANH' . . 17593 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 17593 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 6 '3D H(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 9 '3D 1H-13C TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 14 '3D 1H-13C HSQC-NOESY-HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17593 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17593 1 16 HMCM(CBCA)NH_leu/ile no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17593 1 17 HMCM(CA)NH_val no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17593 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17593 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17593 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 17593 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Chemical shifts were referenced to TFE.' 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TFE 'methylene protons' . . . . ppm 3.88 internal indirect 0.10132905 . . . . . . . . . 17593 1 H 1 TFE 'methylene protons' . . . . ppm 3.88 internal direct 1.0 . . . . . . . . . 17593 1 N 15 TFE 'methylene protons' . . . . ppm 3.88 internal indirect 0.2514002 . . . . . . . . . 17593 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 17593 _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 '2D 1H-15N HSQC' . . . 17593 1 2 '3D 1H-15N NOESY' . . . 17593 1 3 '3D 1H-15N TOCSY' . . . 17593 1 4 '3D HNCA' . . . 17593 1 5 '3D HNCACB' . . . 17593 1 6 '3D H(CA)CO' . . . 17593 1 7 '3D HNCO' . . . 17593 1 8 '3D HCCH-TOCSY' . . . 17593 1 9 '3D 1H-13C TOCSY' . . . 17593 1 10 '2D 1H-1H NOESY' . . . 17593 1 11 '2D 1H-1H TOCSY' . . . 17593 1 12 '3D 1H-13C NOESY' . . . 17593 1 14 '3D 1H-13C HSQC-NOESY-HSQC' . . . 17593 1 15 '2D 1H-13C HSQC' . . . 17593 1 16 HMCM(CBCA)NH_leu/ile . . . 17593 1 17 HMCM(CA)NH_val . . . 17593 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.863 0.020 . 1 . . . . 31 GLY HA2 . 17593 1 2 . 1 1 1 1 GLY HA3 H 1 3.863 0.020 . 1 . . . . 31 GLY HA3 . 17593 1 3 . 1 1 1 1 GLY C C 13 167.830 0.3 . 1 . . . . 31 GLY C . 17593 1 4 . 1 1 1 1 GLY CA C 13 43.286 0.3 . 1 . . . . 31 GLY CA . 17593 1 5 . 1 1 2 2 ASN H H 1 8.687 0.020 . 1 . . . . 32 ASN H . 17593 1 6 . 1 1 2 2 ASN HA H 1 4.797 0.020 . 1 . . . . 32 ASN HA . 17593 1 7 . 1 1 2 2 ASN HB2 H 1 2.862 0.020 . 2 . . . . 32 ASN HB2 . 17593 1 8 . 1 1 2 2 ASN HB3 H 1 2.850 0.020 . 2 . . . . 32 ASN HB3 . 17593 1 9 . 1 1 2 2 ASN HD21 H 1 6.801 0.020 . 1 . . . . 32 ASN HD21 . 17593 1 10 . 1 1 2 2 ASN HD22 H 1 7.509 0.020 . 1 . . . . 32 ASN HD22 . 17593 1 11 . 1 1 2 2 ASN C C 13 173.630 0.3 . 1 . . . . 32 ASN C . 17593 1 12 . 1 1 2 2 ASN CA C 13 53.310 0.3 . 1 . . . . 32 ASN CA . 17593 1 13 . 1 1 2 2 ASN CB C 13 38.780 0.3 . 1 . . . . 32 ASN CB . 17593 1 14 . 1 1 2 2 ASN N N 15 118.946 0.3 . 1 . . . . 32 ASN N . 17593 1 15 . 1 1 2 2 ASN ND2 N 15 112.130 0.3 . 1 . . . . 32 ASN ND2 . 17593 1 16 . 1 1 3 3 GLY H H 1 8.579 0.020 . 1 . . . . 33 GLY H . 17593 1 17 . 1 1 3 3 GLY HA2 H 1 3.970 0.020 . 1 . . . . 33 GLY HA2 . 17593 1 18 . 1 1 3 3 GLY HA3 H 1 3.970 0.020 . 1 . . . . 33 GLY HA3 . 17593 1 19 . 1 1 3 3 GLY C C 13 172.640 0.3 . 1 . . . . 33 GLY C . 17593 1 20 . 1 1 3 3 GLY CA C 13 45.846 0.3 . 1 . . . . 33 GLY CA . 17593 1 21 . 1 1 3 3 GLY N N 15 109.210 0.3 . 1 . . . . 33 GLY N . 17593 1 22 . 1 1 4 4 SER H H 1 8.181 0.020 . 1 . . . . 34 SER H . 17593 1 23 . 1 1 4 4 SER HA H 1 4.465 0.020 . 1 . . . . 34 SER HA . 17593 1 24 . 1 1 4 4 SER HB2 H 1 3.989 0.020 . 2 . . . . 34 SER HB2 . 17593 1 25 . 1 1 4 4 SER HB3 H 1 3.919 0.020 . 2 . . . . 34 SER HB3 . 17593 1 26 . 1 1 4 4 SER C C 13 173.070 0.3 . 1 . . . . 34 SER C . 17593 1 27 . 1 1 4 4 SER CA C 13 59.310 0.3 . 1 . . . . 34 SER CA . 17593 1 28 . 1 1 4 4 SER CB C 13 63.570 0.3 . 1 . . . . 34 SER CB . 17593 1 29 . 1 1 4 4 SER N N 15 116.215 0.3 . 1 . . . . 34 SER N . 17593 1 30 . 1 1 5 5 THR H H 1 8.032 0.020 . 1 . . . . 35 THR H . 17593 1 31 . 1 1 5 5 THR HA H 1 4.269 0.020 . 1 . . . . 35 THR HA . 17593 1 32 . 1 1 5 5 THR HB H 1 4.277 0.020 . 1 . . . . 35 THR HB . 17593 1 33 . 1 1 5 5 THR HG21 H 1 1.263 0.020 . 1 . . . . 35 THR HG2 . 17593 1 34 . 1 1 5 5 THR HG22 H 1 1.263 0.020 . 1 . . . . 35 THR HG2 . 17593 1 35 . 1 1 5 5 THR HG23 H 1 1.263 0.020 . 1 . . . . 35 THR HG2 . 17593 1 36 . 1 1 5 5 THR C C 13 173.070 0.3 . 1 . . . . 35 THR C . 17593 1 37 . 1 1 5 5 THR CA C 13 63.630 0.3 . 1 . . . . 35 THR CA . 17593 1 38 . 1 1 5 5 THR CB C 13 69.560 0.3 . 1 . . . . 35 THR CB . 17593 1 39 . 1 1 5 5 THR CG2 C 13 21.345 0.3 . 1 . . . . 35 THR CG2 . 17593 1 40 . 1 1 5 5 THR N N 15 116.799 0.3 . 1 . . . . 35 THR N . 17593 1 41 . 1 1 6 6 ILE H H 1 7.859 0.020 . 1 . . . . 36 ILE H . 17593 1 42 . 1 1 6 6 ILE HA H 1 4.271 0.020 . 1 . . . . 36 ILE HA . 17593 1 43 . 1 1 6 6 ILE HB H 1 1.885 0.020 . 1 . . . . 36 ILE HB . 17593 1 44 . 1 1 6 6 ILE HG12 H 1 1.577 0.020 . 2 . . . . 36 ILE HG12 . 17593 1 45 . 1 1 6 6 ILE HG13 H 1 1.241 0.020 . 2 . . . . 36 ILE HG13 . 17593 1 46 . 1 1 6 6 ILE HG21 H 1 0.877 0.020 . 1 . . . . 36 ILE HG2 . 17593 1 47 . 1 1 6 6 ILE HG22 H 1 0.877 0.020 . 1 . . . . 36 ILE HG2 . 17593 1 48 . 1 1 6 6 ILE HG23 H 1 0.877 0.020 . 1 . . . . 36 ILE HG2 . 17593 1 49 . 1 1 6 6 ILE HD11 H 1 0.855 0.020 . 1 . . . . 36 ILE HD1 . 17593 1 50 . 1 1 6 6 ILE HD12 H 1 0.855 0.020 . 1 . . . . 36 ILE HD1 . 17593 1 51 . 1 1 6 6 ILE HD13 H 1 0.855 0.020 . 1 . . . . 36 ILE HD1 . 17593 1 52 . 1 1 6 6 ILE C C 13 174.790 0.3 . 1 . . . . 36 ILE C . 17593 1 53 . 1 1 6 6 ILE CA C 13 63.100 0.3 . 1 . . . . 36 ILE CA . 17593 1 54 . 1 1 6 6 ILE CB C 13 38.440 0.3 . 1 . . . . 36 ILE CB . 17593 1 55 . 1 1 6 6 ILE CG1 C 13 28.382 0.3 . 1 . . . . 36 ILE CG1 . 17593 1 56 . 1 1 6 6 ILE CG2 C 13 16.893 0.3 . 1 . . . . 36 ILE CG2 . 17593 1 57 . 1 1 6 6 ILE CD1 C 13 12.445 0.3 . 1 . . . . 36 ILE CD1 . 17593 1 58 . 1 1 6 6 ILE N N 15 122.428 0.3 . 1 . . . . 36 ILE N . 17593 1 59 . 1 1 7 7 THR H H 1 7.693 0.020 . 1 . . . . 37 THR H . 17593 1 60 . 1 1 7 7 THR HA H 1 4.199 0.020 . 1 . . . . 37 THR HA . 17593 1 61 . 1 1 7 7 THR HB H 1 4.290 0.020 . 1 . . . . 37 THR HB . 17593 1 62 . 1 1 7 7 THR HG21 H 1 1.229 0.020 . 1 . . . . 37 THR HG2 . 17593 1 63 . 1 1 7 7 THR HG22 H 1 1.229 0.020 . 1 . . . . 37 THR HG2 . 17593 1 64 . 1 1 7 7 THR HG23 H 1 1.229 0.020 . 1 . . . . 37 THR HG2 . 17593 1 65 . 1 1 7 7 THR C C 13 173.610 0.3 . 1 . . . . 37 THR C . 17593 1 66 . 1 1 7 7 THR CA C 13 64.108 0.3 . 1 . . . . 37 THR CA . 17593 1 67 . 1 1 7 7 THR CB C 13 69.650 0.3 . 1 . . . . 37 THR CB . 17593 1 68 . 1 1 7 7 THR CG2 C 13 21.559 0.3 . 1 . . . . 37 THR CG2 . 17593 1 69 . 1 1 7 7 THR N N 15 116.134 0.3 . 1 . . . . 37 THR N . 17593 1 70 . 1 1 8 8 PHE H H 1 8.257 0.020 . 1 . . . . 38 PHE H . 17593 1 71 . 1 1 8 8 PHE HA H 1 4.262 0.020 . 1 . . . . 38 PHE HA . 17593 1 72 . 1 1 8 8 PHE HB2 H 1 3.221 0.020 . 1 . . . . 38 PHE HB2 . 17593 1 73 . 1 1 8 8 PHE HB3 H 1 3.221 0.020 . 1 . . . . 38 PHE HB3 . 17593 1 74 . 1 1 8 8 PHE HD1 H 1 7.250 0.020 . 1 . . . . 38 PHE HD1 . 17593 1 75 . 1 1 8 8 PHE HD2 H 1 7.250 0.020 . 1 . . . . 38 PHE HD2 . 17593 1 76 . 1 1 8 8 PHE C C 13 175.226 0.3 . 1 . . . . 38 PHE C . 17593 1 77 . 1 1 8 8 PHE CA C 13 61.500 0.3 . 1 . . . . 38 PHE CA . 17593 1 78 . 1 1 8 8 PHE CB C 13 38.890 0.3 . 1 . . . . 38 PHE CB . 17593 1 79 . 1 1 8 8 PHE N N 15 121.643 0.3 . 1 . . . . 38 PHE N . 17593 1 80 . 1 1 9 9 ASP H H 1 8.413 0.020 . 1 . . . . 39 ASP H . 17593 1 81 . 1 1 9 9 ASP HA H 1 4.369 0.020 . 1 . . . . 39 ASP HA . 17593 1 82 . 1 1 9 9 ASP HB2 H 1 2.856 0.020 . 2 . . . . 39 ASP HB2 . 17593 1 83 . 1 1 9 9 ASP HB3 H 1 3.031 0.020 . 2 . . . . 39 ASP HB3 . 17593 1 84 . 1 1 9 9 ASP C C 13 176.103 0.3 . 1 . . . . 39 ASP C . 17593 1 85 . 1 1 9 9 ASP CA C 13 56.010 0.3 . 1 . . . . 39 ASP CA . 17593 1 86 . 1 1 9 9 ASP CB C 13 37.112 0.3 . 1 . . . . 39 ASP CB . 17593 1 87 . 1 1 9 9 ASP N N 15 117.878 0.3 . 1 . . . . 39 ASP N . 17593 1 88 . 1 1 10 10 GLU H H 1 8.161 0.020 . 1 . . . . 40 GLU H . 17593 1 89 . 1 1 10 10 GLU HA H 1 4.057 0.020 . 1 . . . . 40 GLU HA . 17593 1 90 . 1 1 10 10 GLU HB2 H 1 2.069 0.020 . 1 . . . . 40 GLU HB2 . 17593 1 91 . 1 1 10 10 GLU HB3 H 1 2.069 0.020 . 1 . . . . 40 GLU HB3 . 17593 1 92 . 1 1 10 10 GLU HG2 H 1 2.409 0.020 . 2 . . . . 40 GLU HG2 . 17593 1 93 . 1 1 10 10 GLU HG3 H 1 2.601 0.020 . 2 . . . . 40 GLU HG3 . 17593 1 94 . 1 1 10 10 GLU C C 13 176.280 0.3 . 1 . . . . 40 GLU C . 17593 1 95 . 1 1 10 10 GLU CA C 13 58.817 0.3 . 1 . . . . 40 GLU CA . 17593 1 96 . 1 1 10 10 GLU CB C 13 28.060 0.3 . 1 . . . . 40 GLU CB . 17593 1 97 . 1 1 10 10 GLU CG C 13 33.046 0.3 . 1 . . . . 40 GLU CG . 17593 1 98 . 1 1 10 10 GLU N N 15 120.906 0.3 . 1 . . . . 40 GLU N . 17593 1 99 . 1 1 11 11 LEU H H 1 8.259 0.020 . 1 . . . . 41 LEU H . 17593 1 100 . 1 1 11 11 LEU HA H 1 4.078 0.020 . 1 . . . . 41 LEU HA . 17593 1 101 . 1 1 11 11 LEU HB2 H 1 1.817 0.020 . 1 . . . . 41 LEU HB2 . 17593 1 102 . 1 1 11 11 LEU HB3 H 1 1.817 0.020 . 1 . . . . 41 LEU HB3 . 17593 1 103 . 1 1 11 11 LEU HG H 1 1.678 0.020 . 1 . . . . 41 LEU HG . 17593 1 104 . 1 1 11 11 LEU HD11 H 1 0.857 0.020 . 2 . . . . 41 LEU HD1 . 17593 1 105 . 1 1 11 11 LEU HD12 H 1 0.857 0.020 . 2 . . . . 41 LEU HD1 . 17593 1 106 . 1 1 11 11 LEU HD13 H 1 0.857 0.020 . 2 . . . . 41 LEU HD1 . 17593 1 107 . 1 1 11 11 LEU HD21 H 1 0.868 0.020 . 2 . . . . 41 LEU HD2 . 17593 1 108 . 1 1 11 11 LEU HD22 H 1 0.868 0.020 . 2 . . . . 41 LEU HD2 . 17593 1 109 . 1 1 11 11 LEU HD23 H 1 0.868 0.020 . 2 . . . . 41 LEU HD2 . 17593 1 110 . 1 1 11 11 LEU C C 13 176.430 0.3 . 1 . . . . 41 LEU C . 17593 1 111 . 1 1 11 11 LEU CA C 13 58.183 0.3 . 1 . . . . 41 LEU CA . 17593 1 112 . 1 1 11 11 LEU CB C 13 41.660 0.3 . 1 . . . . 41 LEU CB . 17593 1 113 . 1 1 11 11 LEU CG C 13 27.070 0.3 . 1 . . . . 41 LEU CG . 17593 1 114 . 1 1 11 11 LEU CD1 C 13 23.687 0.3 . 1 . . . . 41 LEU CD1 . 17593 1 115 . 1 1 11 11 LEU N N 15 122.019 0.3 . 1 . . . . 41 LEU N . 17593 1 116 . 1 1 12 12 GLN H H 1 8.275 0.020 . 1 . . . . 42 GLN H . 17593 1 117 . 1 1 12 12 GLN HA H 1 3.807 0.020 . 1 . . . . 42 GLN HA . 17593 1 118 . 1 1 12 12 GLN HB2 H 1 1.928 0.020 . 2 . . . . 42 GLN HB2 . 17593 1 119 . 1 1 12 12 GLN HB3 H 1 1.938 0.020 . 2 . . . . 42 GLN HB3 . 17593 1 120 . 1 1 12 12 GLN HG2 H 1 2.085 0.020 . 2 . . . . 42 GLN HG2 . 17593 1 121 . 1 1 12 12 GLN HG3 H 1 2.192 0.020 . 2 . . . . 42 GLN HG3 . 17593 1 122 . 1 1 12 12 GLN HE21 H 1 6.430 0.020 . 1 . . . . 42 GLN HE21 . 17593 1 123 . 1 1 12 12 GLN HE22 H 1 6.571 0.020 . 1 . . . . 42 GLN HE22 . 17593 1 124 . 1 1 12 12 GLN C C 13 176.780 0.3 . 1 . . . . 42 GLN C . 17593 1 125 . 1 1 12 12 GLN CA C 13 59.100 0.3 . 1 . . . . 42 GLN CA . 17593 1 126 . 1 1 12 12 GLN CB C 13 28.430 0.3 . 1 . . . . 42 GLN CB . 17593 1 127 . 1 1 12 12 GLN CG C 13 33.976 0.3 . 1 . . . . 42 GLN CG . 17593 1 128 . 1 1 12 12 GLN N N 15 117.332 0.3 . 1 . . . . 42 GLN N . 17593 1 129 . 1 1 12 12 GLN NE2 N 15 110.090 0.3 . 1 . . . . 42 GLN NE2 . 17593 1 130 . 1 1 13 13 GLY H H 1 7.919 0.020 . 1 . . . . 43 GLY H . 17593 1 131 . 1 1 13 13 GLY HA2 H 1 3.874 0.020 . 1 . . . . 43 GLY HA2 . 17593 1 132 . 1 1 13 13 GLY HA3 H 1 3.874 0.020 . 1 . . . . 43 GLY HA3 . 17593 1 133 . 1 1 13 13 GLY C C 13 174.500 0.3 . 1 . . . . 43 GLY C . 17593 1 134 . 1 1 13 13 GLY CA C 13 47.017 0.3 . 1 . . . . 43 GLY CA . 17593 1 135 . 1 1 13 13 GLY N N 15 121.690 0.3 . 1 . . . . 43 GLY N . 17593 1 136 . 1 1 14 14 LEU H H 1 8.168 0.020 . 1 . . . . 44 LEU H . 17593 1 137 . 1 1 14 14 LEU HA H 1 4.155 0.020 . 1 . . . . 44 LEU HA . 17593 1 138 . 1 1 14 14 LEU HB2 H 1 1.843 0.020 . 2 . . . . 44 LEU HB2 . 17593 1 139 . 1 1 14 14 LEU HB3 H 1 1.869 0.020 . 2 . . . . 44 LEU HB3 . 17593 1 140 . 1 1 14 14 LEU HG H 1 1.710 0.020 . 1 . . . . 44 LEU HG . 17593 1 141 . 1 1 14 14 LEU HD11 H 1 0.858 0.020 . 2 . . . . 44 LEU HD1 . 17593 1 142 . 1 1 14 14 LEU HD12 H 1 0.858 0.020 . 2 . . . . 44 LEU HD1 . 17593 1 143 . 1 1 14 14 LEU HD13 H 1 0.858 0.020 . 2 . . . . 44 LEU HD1 . 17593 1 144 . 1 1 14 14 LEU HD21 H 1 0.870 0.020 . 2 . . . . 44 LEU HD2 . 17593 1 145 . 1 1 14 14 LEU HD22 H 1 0.870 0.020 . 2 . . . . 44 LEU HD2 . 17593 1 146 . 1 1 14 14 LEU HD23 H 1 0.870 0.020 . 2 . . . . 44 LEU HD2 . 17593 1 147 . 1 1 14 14 LEU C C 13 178.410 0.3 . 1 . . . . 44 LEU C . 17593 1 148 . 1 1 14 14 LEU CA C 13 58.307 0.3 . 1 . . . . 44 LEU CA . 17593 1 149 . 1 1 14 14 LEU CB C 13 41.916 0.3 . 1 . . . . 44 LEU CB . 17593 1 150 . 1 1 14 14 LEU CG C 13 27.029 0.3 . 1 . . . . 44 LEU CG . 17593 1 151 . 1 1 14 14 LEU CD1 C 13 23.661 0.3 . 1 . . . . 44 LEU CD1 . 17593 1 152 . 1 1 14 14 LEU N N 15 126.161 0.3 . 1 . . . . 44 LEU N . 17593 1 153 . 1 1 15 15 VAL H H 1 8.706 0.020 . 1 . . . . 45 VAL H . 17593 1 154 . 1 1 15 15 VAL HA H 1 3.551 0.020 . 1 . . . . 45 VAL HA . 17593 1 155 . 1 1 15 15 VAL HB H 1 2.109 0.020 . 1 . . . . 45 VAL HB . 17593 1 156 . 1 1 15 15 VAL HG11 H 1 0.919 0.020 . 2 . . . . 45 VAL HG1 . 17593 1 157 . 1 1 15 15 VAL HG12 H 1 0.919 0.020 . 2 . . . . 45 VAL HG1 . 17593 1 158 . 1 1 15 15 VAL HG13 H 1 0.919 0.020 . 2 . . . . 45 VAL HG1 . 17593 1 159 . 1 1 15 15 VAL HG21 H 1 1.011 0.020 . 2 . . . . 45 VAL HG2 . 17593 1 160 . 1 1 15 15 VAL HG22 H 1 1.011 0.020 . 2 . . . . 45 VAL HG2 . 17593 1 161 . 1 1 15 15 VAL HG23 H 1 1.011 0.020 . 2 . . . . 45 VAL HG2 . 17593 1 162 . 1 1 15 15 VAL C C 13 175.990 0.3 . 1 . . . . 45 VAL C . 17593 1 163 . 1 1 15 15 VAL CA C 13 67.350 0.3 . 1 . . . . 45 VAL CA . 17593 1 164 . 1 1 15 15 VAL CB C 13 31.700 0.3 . 1 . . . . 45 VAL CB . 17593 1 165 . 1 1 15 15 VAL CG1 C 13 20.534 0.3 . 1 . . . . 45 VAL CG1 . 17593 1 166 . 1 1 15 15 VAL CG2 C 13 21.910 0.3 . 1 . . . . 45 VAL CG2 . 17593 1 167 . 1 1 15 15 VAL N N 15 123.577 0.3 . 1 . . . . 45 VAL N . 17593 1 168 . 1 1 16 16 ASN H H 1 8.551 0.020 . 1 . . . . 46 ASN H . 17593 1 169 . 1 1 16 16 ASN HA H 1 4.405 0.020 . 1 . . . . 46 ASN HA . 17593 1 170 . 1 1 16 16 ASN HB2 H 1 2.914 0.020 . 2 . . . . 46 ASN HB2 . 17593 1 171 . 1 1 16 16 ASN HB3 H 1 2.705 0.020 . 2 . . . . 46 ASN HB3 . 17593 1 172 . 1 1 16 16 ASN HD21 H 1 6.629 0.020 . 1 . . . . 46 ASN HD21 . 17593 1 173 . 1 1 16 16 ASN HD22 H 1 7.396 0.020 . 1 . . . . 46 ASN HD22 . 17593 1 174 . 1 1 16 16 ASN C C 13 176.990 0.3 . 1 . . . . 46 ASN C . 17593 1 175 . 1 1 16 16 ASN CA C 13 56.890 0.3 . 1 . . . . 46 ASN CA . 17593 1 176 . 1 1 16 16 ASN CB C 13 38.646 0.3 . 1 . . . . 46 ASN CB . 17593 1 177 . 1 1 16 16 ASN N N 15 117.817 0.3 . 1 . . . . 46 ASN N . 17593 1 178 . 1 1 16 16 ASN ND2 N 15 110.330 0.3 . 1 . . . . 46 ASN ND2 . 17593 1 179 . 1 1 17 17 SER H H 1 8.463 0.020 . 1 . . . . 47 SER H . 17593 1 180 . 1 1 17 17 SER HA H 1 4.213 0.020 . 1 . . . . 47 SER HA . 17593 1 181 . 1 1 17 17 SER HB2 H 1 4.083 0.020 . 2 . . . . 47 SER HB2 . 17593 1 182 . 1 1 17 17 SER HB3 H 1 4.006 0.020 . 2 . . . . 47 SER HB3 . 17593 1 183 . 1 1 17 17 SER C C 13 173.750 0.3 . 1 . . . . 47 SER C . 17593 1 184 . 1 1 17 17 SER CA C 13 62.210 0.3 . 1 . . . . 47 SER CA . 17593 1 185 . 1 1 17 17 SER CB C 13 63.108 0.3 . 1 . . . . 47 SER CB . 17593 1 186 . 1 1 17 17 SER N N 15 117.002 0.3 . 1 . . . . 47 SER N . 17593 1 187 . 1 1 18 18 THR H H 1 8.074 0.020 . 1 . . . . 48 THR H . 17593 1 188 . 1 1 18 18 THR HA H 1 3.941 0.020 . 1 . . . . 48 THR HA . 17593 1 189 . 1 1 18 18 THR HB H 1 4.394 0.020 . 1 . . . . 48 THR HB . 17593 1 190 . 1 1 18 18 THR HG21 H 1 1.244 0.020 . 1 . . . . 48 THR HG2 . 17593 1 191 . 1 1 18 18 THR HG22 H 1 1.244 0.020 . 1 . . . . 48 THR HG2 . 17593 1 192 . 1 1 18 18 THR HG23 H 1 1.244 0.020 . 1 . . . . 48 THR HG2 . 17593 1 193 . 1 1 18 18 THR C C 13 174.270 0.3 . 1 . . . . 48 THR C . 17593 1 194 . 1 1 18 18 THR CA C 13 67.178 0.3 . 1 . . . . 48 THR CA . 17593 1 195 . 1 1 18 18 THR CB C 13 69.004 0.3 . 1 . . . . 48 THR CB . 17593 1 196 . 1 1 18 18 THR CG2 C 13 20.485 0.3 . 1 . . . . 48 THR CG2 . 17593 1 197 . 1 1 18 18 THR N N 15 120.186 0.3 . 1 . . . . 48 THR N . 17593 1 198 . 1 1 19 19 VAL H H 1 8.533 0.020 . 1 . . . . 49 VAL H . 17593 1 199 . 1 1 19 19 VAL HA H 1 3.667 0.020 . 1 . . . . 49 VAL HA . 17593 1 200 . 1 1 19 19 VAL HB H 1 2.116 0.020 . 1 . . . . 49 VAL HB . 17593 1 201 . 1 1 19 19 VAL HG11 H 1 1.042 0.020 . 2 . . . . 49 VAL HG1 . 17593 1 202 . 1 1 19 19 VAL HG12 H 1 1.042 0.020 . 2 . . . . 49 VAL HG1 . 17593 1 203 . 1 1 19 19 VAL HG13 H 1 1.042 0.020 . 2 . . . . 49 VAL HG1 . 17593 1 204 . 1 1 19 19 VAL HG21 H 1 0.989 0.020 . 2 . . . . 49 VAL HG2 . 17593 1 205 . 1 1 19 19 VAL HG22 H 1 0.989 0.020 . 2 . . . . 49 VAL HG2 . 17593 1 206 . 1 1 19 19 VAL HG23 H 1 0.989 0.020 . 2 . . . . 49 VAL HG2 . 17593 1 207 . 1 1 19 19 VAL C C 13 175.600 0.3 . 1 . . . . 49 VAL C . 17593 1 208 . 1 1 19 19 VAL CA C 13 67.119 0.3 . 1 . . . . 49 VAL CA . 17593 1 209 . 1 1 19 19 VAL CB C 13 31.800 0.3 . 1 . . . . 49 VAL CB . 17593 1 210 . 1 1 19 19 VAL CG1 C 13 22.275 0.3 . 1 . . . . 49 VAL CG1 . 17593 1 211 . 1 1 19 19 VAL CG2 C 13 20.793 0.3 . 1 . . . . 49 VAL CG2 . 17593 1 212 . 1 1 19 19 VAL N N 15 122.849 0.3 . 1 . . . . 49 VAL N . 17593 1 213 . 1 1 20 20 THR H H 1 8.007 0.020 . 1 . . . . 50 THR H . 17593 1 214 . 1 1 20 20 THR HA H 1 3.829 0.020 . 1 . . . . 50 THR HA . 17593 1 215 . 1 1 20 20 THR HB H 1 4.270 0.020 . 1 . . . . 50 THR HB . 17593 1 216 . 1 1 20 20 THR HG21 H 1 1.235 0.020 . 1 . . . . 50 THR HG2 . 17593 1 217 . 1 1 20 20 THR HG22 H 1 1.235 0.020 . 1 . . . . 50 THR HG2 . 17593 1 218 . 1 1 20 20 THR HG23 H 1 1.235 0.020 . 1 . . . . 50 THR HG2 . 17593 1 219 . 1 1 20 20 THR C C 13 173.970 0.3 . 1 . . . . 50 THR C . 17593 1 220 . 1 1 20 20 THR CA C 13 67.743 0.3 . 1 . . . . 50 THR CA . 17593 1 221 . 1 1 20 20 THR CB C 13 69.110 0.3 . 1 . . . . 50 THR CB . 17593 1 222 . 1 1 20 20 THR CG2 C 13 21.109 0.3 . 1 . . . . 50 THR CG2 . 17593 1 223 . 1 1 20 20 THR N N 15 114.705 0.3 . 1 . . . . 50 THR N . 17593 1 224 . 1 1 21 21 GLN H H 1 7.867 0.020 . 1 . . . . 51 GLN H . 17593 1 225 . 1 1 21 21 GLN HA H 1 3.960 0.020 . 1 . . . . 51 GLN HA . 17593 1 226 . 1 1 21 21 GLN HB2 H 1 2.210 0.020 . 1 . . . . 51 GLN HB2 . 17593 1 227 . 1 1 21 21 GLN HB3 H 1 2.210 0.020 . 1 . . . . 51 GLN HB3 . 17593 1 228 . 1 1 21 21 GLN HG2 H 1 2.330 0.020 . 2 . . . . 51 GLN HG2 . 17593 1 229 . 1 1 21 21 GLN HG3 H 1 2.542 0.020 . 2 . . . . 51 GLN HG3 . 17593 1 230 . 1 1 21 21 GLN HE21 H 1 6.438 0.020 . 1 . . . . 51 GLN HE21 . 17593 1 231 . 1 1 21 21 GLN HE22 H 1 6.992 0.020 . 1 . . . . 51 GLN HE22 . 17593 1 232 . 1 1 21 21 GLN C C 13 175.820 0.3 . 1 . . . . 51 GLN C . 17593 1 233 . 1 1 21 21 GLN CA C 13 59.599 0.3 . 1 . . . . 51 GLN CA . 17593 1 234 . 1 1 21 21 GLN CB C 13 28.680 0.3 . 1 . . . . 51 GLN CB . 17593 1 235 . 1 1 21 21 GLN CG C 13 34.567 0.3 . 1 . . . . 51 GLN CG . 17593 1 236 . 1 1 21 21 GLN N N 15 118.879 0.3 . 1 . . . . 51 GLN N . 17593 1 237 . 1 1 21 21 GLN NE2 N 15 109.970 0.3 . 1 . . . . 51 GLN NE2 . 17593 1 238 . 1 1 22 22 ALA H H 1 8.015 0.020 . 1 . . . . 52 ALA H . 17593 1 239 . 1 1 22 22 ALA HA H 1 4.179 0.020 . 1 . . . . 52 ALA HA . 17593 1 240 . 1 1 22 22 ALA HB1 H 1 1.581 0.020 . 1 . . . . 52 ALA HB . 17593 1 241 . 1 1 22 22 ALA HB2 H 1 1.581 0.020 . 1 . . . . 52 ALA HB . 17593 1 242 . 1 1 22 22 ALA HB3 H 1 1.581 0.020 . 1 . . . . 52 ALA HB . 17593 1 243 . 1 1 22 22 ALA C C 13 178.970 0.3 . 1 . . . . 52 ALA C . 17593 1 244 . 1 1 22 22 ALA CA C 13 55.590 0.3 . 1 . . . . 52 ALA CA . 17593 1 245 . 1 1 22 22 ALA CB C 13 17.590 0.3 . 1 . . . . 52 ALA CB . 17593 1 246 . 1 1 22 22 ALA N N 15 123.237 0.3 . 1 . . . . 52 ALA N . 17593 1 247 . 1 1 23 23 ILE H H 1 8.469 0.020 . 1 . . . . 53 ILE H . 17593 1 248 . 1 1 23 23 ILE HA H 1 3.612 0.020 . 1 . . . . 53 ILE HA . 17593 1 249 . 1 1 23 23 ILE HB H 1 2.003 0.020 . 1 . . . . 53 ILE HB . 17593 1 250 . 1 1 23 23 ILE HG12 H 1 1.814 0.020 . 1 . . . . 53 ILE HG12 . 17593 1 251 . 1 1 23 23 ILE HG13 H 1 1.814 0.020 . 1 . . . . 53 ILE HG13 . 17593 1 252 . 1 1 23 23 ILE HG21 H 1 1.123 0.020 . 1 . . . . 53 ILE HG2 . 17593 1 253 . 1 1 23 23 ILE HG22 H 1 1.123 0.020 . 1 . . . . 53 ILE HG2 . 17593 1 254 . 1 1 23 23 ILE HG23 H 1 1.123 0.020 . 1 . . . . 53 ILE HG2 . 17593 1 255 . 1 1 23 23 ILE HD11 H 1 0.797 0.020 . 1 . . . . 53 ILE HD1 . 17593 1 256 . 1 1 23 23 ILE HD12 H 1 0.797 0.020 . 1 . . . . 53 ILE HD1 . 17593 1 257 . 1 1 23 23 ILE HD13 H 1 0.797 0.020 . 1 . . . . 53 ILE HD1 . 17593 1 258 . 1 1 23 23 ILE C C 13 176.660 0.3 . 1 . . . . 53 ILE C . 17593 1 259 . 1 1 23 23 ILE CA C 13 66.030 0.3 . 1 . . . . 53 ILE CA . 17593 1 260 . 1 1 23 23 ILE CB C 13 37.890 0.3 . 1 . . . . 53 ILE CB . 17593 1 261 . 1 1 23 23 ILE CD1 C 13 12.711 0.3 . 1 . . . . 53 ILE CD1 . 17593 1 262 . 1 1 23 23 ILE N N 15 121.430 0.3 . 1 . . . . 53 ILE N . 17593 1 263 . 1 1 24 24 LEU H H 1 8.414 0.020 . 1 . . . . 54 LEU H . 17593 1 264 . 1 1 24 24 LEU HA H 1 4.074 0.020 . 1 . . . . 54 LEU HA . 17593 1 265 . 1 1 24 24 LEU HB2 H 1 1.847 0.020 . 1 . . . . 54 LEU HB2 . 17593 1 266 . 1 1 24 24 LEU HB3 H 1 1.847 0.020 . 1 . . . . 54 LEU HB3 . 17593 1 267 . 1 1 24 24 LEU HG H 1 1.500 0.020 . 1 . . . . 54 LEU HG . 17593 1 268 . 1 1 24 24 LEU HD11 H 1 0.837 0.020 . 2 . . . . 54 LEU HD1 . 17593 1 269 . 1 1 24 24 LEU HD12 H 1 0.837 0.020 . 2 . . . . 54 LEU HD1 . 17593 1 270 . 1 1 24 24 LEU HD13 H 1 0.837 0.020 . 2 . . . . 54 LEU HD1 . 17593 1 271 . 1 1 24 24 LEU HD21 H 1 0.847 0.020 . 2 . . . . 54 LEU HD2 . 17593 1 272 . 1 1 24 24 LEU HD22 H 1 0.847 0.020 . 2 . . . . 54 LEU HD2 . 17593 1 273 . 1 1 24 24 LEU HD23 H 1 0.847 0.020 . 2 . . . . 54 LEU HD2 . 17593 1 274 . 1 1 24 24 LEU C C 13 177.530 0.3 . 1 . . . . 54 LEU C . 17593 1 275 . 1 1 24 24 LEU CA C 13 58.247 0.3 . 1 . . . . 54 LEU CA . 17593 1 276 . 1 1 24 24 LEU CB C 13 41.660 0.3 . 1 . . . . 54 LEU CB . 17593 1 277 . 1 1 24 24 LEU CD1 C 13 22.318 0.3 . 1 . . . . 54 LEU CD1 . 17593 1 278 . 1 1 24 24 LEU CD2 C 13 24.736 0.3 . 1 . . . . 54 LEU CD2 . 17593 1 279 . 1 1 24 24 LEU N N 15 120.119 0.3 . 1 . . . . 54 LEU N . 17593 1 280 . 1 1 25 25 PHE H H 1 8.572 0.020 . 1 . . . . 55 PHE H . 17593 1 281 . 1 1 25 25 PHE HA H 1 4.267 0.020 . 1 . . . . 55 PHE HA . 17593 1 282 . 1 1 25 25 PHE HB2 H 1 3.309 0.020 . 2 . . . . 55 PHE HB2 . 17593 1 283 . 1 1 25 25 PHE HB3 H 1 3.227 0.020 . 2 . . . . 55 PHE HB3 . 17593 1 284 . 1 1 25 25 PHE HD1 H 1 7.225 0.020 . 1 . . . . 55 PHE HD1 . 17593 1 285 . 1 1 25 25 PHE HD2 H 1 7.225 0.020 . 1 . . . . 55 PHE HD2 . 17593 1 286 . 1 1 25 25 PHE C C 13 177.220 0.3 . 1 . . . . 55 PHE C . 17593 1 287 . 1 1 25 25 PHE CA C 13 61.310 0.3 . 1 . . . . 55 PHE CA . 17593 1 288 . 1 1 25 25 PHE CB C 13 38.800 0.3 . 1 . . . . 55 PHE CB . 17593 1 289 . 1 1 25 25 PHE N N 15 119.616 0.3 . 1 . . . . 55 PHE N . 17593 1 290 . 1 1 26 26 GLY H H 1 8.429 0.020 . 1 . . . . 56 GLY H . 17593 1 291 . 1 1 26 26 GLY HA2 H 1 3.998 0.020 . 1 . . . . 56 GLY HA2 . 17593 1 292 . 1 1 26 26 GLY HA3 H 1 3.712 0.020 . 2 . . . . 56 GLY HA3 . 17593 1 293 . 1 1 26 26 GLY C C 13 174.250 0.3 . 1 . . . . 56 GLY C . 17593 1 294 . 1 1 26 26 GLY CA C 13 47.300 0.3 . 1 . . . . 56 GLY CA . 17593 1 295 . 1 1 26 26 GLY N N 15 110.220 0.3 . 1 . . . . 56 GLY N . 17593 1 296 . 1 1 27 27 VAL H H 1 8.538 0.020 . 1 . . . . 57 VAL H . 17593 1 297 . 1 1 27 27 VAL HA H 1 3.760 0.020 . 1 . . . . 57 VAL HA . 17593 1 298 . 1 1 27 27 VAL HB H 1 2.195 0.020 . 1 . . . . 57 VAL HB . 17593 1 299 . 1 1 27 27 VAL HG11 H 1 1.064 0.020 . 2 . . . . 57 VAL HG1 . 17593 1 300 . 1 1 27 27 VAL HG12 H 1 1.064 0.020 . 2 . . . . 57 VAL HG1 . 17593 1 301 . 1 1 27 27 VAL HG13 H 1 1.064 0.020 . 2 . . . . 57 VAL HG1 . 17593 1 302 . 1 1 27 27 VAL HG21 H 1 0.929 0.020 . 2 . . . . 57 VAL HG2 . 17593 1 303 . 1 1 27 27 VAL HG22 H 1 0.929 0.020 . 2 . . . . 57 VAL HG2 . 17593 1 304 . 1 1 27 27 VAL HG23 H 1 0.929 0.020 . 2 . . . . 57 VAL HG2 . 17593 1 305 . 1 1 27 27 VAL C C 13 176.690 0.3 . 1 . . . . 57 VAL C . 17593 1 306 . 1 1 27 27 VAL CA C 13 66.154 0.3 . 1 . . . . 57 VAL CA . 17593 1 307 . 1 1 27 27 VAL CB C 13 32.100 0.3 . 1 . . . . 57 VAL CB . 17593 1 308 . 1 1 27 27 VAL CG1 C 13 21.814 0.3 . 1 . . . . 57 VAL CG1 . 17593 1 309 . 1 1 27 27 VAL CG2 C 13 20.626 0.3 . 1 . . . . 57 VAL CG2 . 17593 1 310 . 1 1 27 27 VAL N N 15 123.331 0.3 . 1 . . . . 57 VAL N . 17593 1 311 . 1 1 28 28 ARG H H 1 8.450 0.020 . 1 . . . . 58 ARG H . 17593 1 312 . 1 1 28 28 ARG HA H 1 4.023 0.020 . 1 . . . . 58 ARG HA . 17593 1 313 . 1 1 28 28 ARG HB2 H 1 1.810 0.020 . 2 . . . . 58 ARG HB2 . 17593 1 314 . 1 1 28 28 ARG HB3 H 1 1.873 0.020 . 2 . . . . 58 ARG HB3 . 17593 1 315 . 1 1 28 28 ARG HG2 H 1 1.649 0.020 . 2 . . . . 58 ARG HG2 . 17593 1 316 . 1 1 28 28 ARG HG3 H 1 1.656 0.020 . 2 . . . . 58 ARG HG3 . 17593 1 317 . 1 1 28 28 ARG HD2 H 1 3.140 0.020 . 2 . . . . 58 ARG HD2 . 17593 1 318 . 1 1 28 28 ARG HD3 H 1 3.150 0.020 . 2 . . . . 58 ARG HD3 . 17593 1 319 . 1 1 28 28 ARG HE H 1 7.048 0.020 . 1 . . . . 58 ARG HE . 17593 1 320 . 1 1 28 28 ARG C C 13 176.440 0.3 . 1 . . . . 58 ARG C . 17593 1 321 . 1 1 28 28 ARG CA C 13 59.080 0.3 . 1 . . . . 58 ARG CA . 17593 1 322 . 1 1 28 28 ARG CB C 13 30.104 0.3 . 1 . . . . 58 ARG CB . 17593 1 323 . 1 1 28 28 ARG CG C 13 27.549 0.3 . 1 . . . . 58 ARG CG . 17593 1 324 . 1 1 28 28 ARG CD C 13 43.260 0.3 . 1 . . . . 58 ARG CD . 17593 1 325 . 1 1 28 28 ARG N N 15 119.778 0.3 . 1 . . . . 58 ARG N . 17593 1 326 . 1 1 28 28 ARG NE N 15 113.731 0.3 . 1 . . . . 58 ARG NE . 17593 1 327 . 1 1 29 29 SER H H 1 8.182 0.020 . 1 . . . . 59 SER H . 17593 1 328 . 1 1 29 29 SER HA H 1 4.136 0.020 . 1 . . . . 59 SER HA . 17593 1 329 . 1 1 29 29 SER HB2 H 1 3.791 0.020 . 2 . . . . 59 SER HB2 . 17593 1 330 . 1 1 29 29 SER HB3 H 1 3.551 0.020 . 2 . . . . 59 SER HB3 . 17593 1 331 . 1 1 29 29 SER C C 13 173.990 0.3 . 1 . . . . 59 SER C . 17593 1 332 . 1 1 29 29 SER CA C 13 60.671 0.3 . 1 . . . . 59 SER CA . 17593 1 333 . 1 1 29 29 SER CB C 13 63.369 0.3 . 1 . . . . 59 SER CB . 17593 1 334 . 1 1 29 29 SER N N 15 113.959 0.3 . 1 . . . . 59 SER N . 17593 1 335 . 1 1 30 30 GLY H H 1 7.828 0.020 . 1 . . . . 60 GLY H . 17593 1 336 . 1 1 30 30 GLY HA2 H 1 4.040 0.020 . 2 . . . . 60 GLY HA2 . 17593 1 337 . 1 1 30 30 GLY HA3 H 1 3.881 0.020 . 2 . . . . 60 GLY HA3 . 17593 1 338 . 1 1 30 30 GLY C C 13 172.890 0.3 . 1 . . . . 60 GLY C . 17593 1 339 . 1 1 30 30 GLY CA C 13 46.186 0.3 . 1 . . . . 60 GLY CA . 17593 1 340 . 1 1 30 30 GLY N N 15 110.800 0.3 . 1 . . . . 60 GLY N . 17593 1 341 . 1 1 31 31 ALA H H 1 8.164 0.020 . 1 . . . . 61 ALA H . 17593 1 342 . 1 1 31 31 ALA HA H 1 4.117 0.020 . 1 . . . . 61 ALA HA . 17593 1 343 . 1 1 31 31 ALA HB1 H 1 1.440 0.020 . 1 . . . . 61 ALA HB . 17593 1 344 . 1 1 31 31 ALA HB2 H 1 1.440 0.020 . 1 . . . . 61 ALA HB . 17593 1 345 . 1 1 31 31 ALA HB3 H 1 1.440 0.020 . 1 . . . . 61 ALA HB . 17593 1 346 . 1 1 31 31 ALA C C 13 178.140 0.3 . 1 . . . . 61 ALA C . 17593 1 347 . 1 1 31 31 ALA CA C 13 54.890 0.3 . 1 . . . . 61 ALA CA . 17593 1 348 . 1 1 31 31 ALA CB C 13 17.762 0.3 . 1 . . . . 61 ALA CB . 17593 1 349 . 1 1 31 31 ALA N N 15 124.030 0.3 . 1 . . . . 61 ALA N . 17593 1 350 . 1 1 32 32 ALA H H 1 8.077 0.020 . 1 . . . . 62 ALA H . 17593 1 351 . 1 1 32 32 ALA HA H 1 4.056 0.020 . 1 . . . . 62 ALA HA . 17593 1 352 . 1 1 32 32 ALA HB1 H 1 1.438 0.020 . 1 . . . . 62 ALA HB . 17593 1 353 . 1 1 32 32 ALA HB2 H 1 1.438 0.020 . 1 . . . . 62 ALA HB . 17593 1 354 . 1 1 32 32 ALA HB3 H 1 1.438 0.020 . 1 . . . . 62 ALA HB . 17593 1 355 . 1 1 32 32 ALA C C 13 176.890 0.3 . 1 . . . . 62 ALA C . 17593 1 356 . 1 1 32 32 ALA CA C 13 55.070 0.3 . 1 . . . . 62 ALA CA . 17593 1 357 . 1 1 32 32 ALA CB C 13 17.700 0.3 . 1 . . . . 62 ALA CB . 17593 1 358 . 1 1 32 32 ALA N N 15 122.196 0.3 . 1 . . . . 62 ALA N . 17593 1 359 . 1 1 33 33 ALA H H 1 7.763 0.020 . 1 . . . . 63 ALA H . 17593 1 360 . 1 1 33 33 ALA HA H 1 4.052 0.020 . 1 . . . . 63 ALA HA . 17593 1 361 . 1 1 33 33 ALA HB1 H 1 1.443 0.020 . 1 . . . . 63 ALA HB . 17593 1 362 . 1 1 33 33 ALA HB2 H 1 1.443 0.020 . 1 . . . . 63 ALA HB . 17593 1 363 . 1 1 33 33 ALA HB3 H 1 1.443 0.020 . 1 . . . . 63 ALA HB . 17593 1 364 . 1 1 33 33 ALA C C 13 177.050 0.3 . 1 . . . . 63 ALA C . 17593 1 365 . 1 1 33 33 ALA CA C 13 55.090 0.3 . 1 . . . . 63 ALA CA . 17593 1 366 . 1 1 33 33 ALA CB C 13 17.730 0.3 . 1 . . . . 63 ALA CB . 17593 1 367 . 1 1 33 33 ALA N N 15 120.565 0.3 . 1 . . . . 63 ALA N . 17593 1 368 . 1 1 34 34 LEU H H 1 7.908 0.020 . 1 . . . . 64 LEU H . 17593 1 369 . 1 1 34 34 LEU HA H 1 4.083 0.020 . 1 . . . . 64 LEU HA . 17593 1 370 . 1 1 34 34 LEU HB2 H 1 1.709 0.020 . 1 . . . . 64 LEU HB2 . 17593 1 371 . 1 1 34 34 LEU HB3 H 1 1.709 0.020 . 1 . . . . 64 LEU HB3 . 17593 1 372 . 1 1 34 34 LEU HG H 1 1.462 0.020 . 1 . . . . 64 LEU HG . 17593 1 373 . 1 1 34 34 LEU HD11 H 1 0.884 0.020 . 2 . . . . 64 LEU HD1 . 17593 1 374 . 1 1 34 34 LEU HD12 H 1 0.884 0.020 . 2 . . . . 64 LEU HD1 . 17593 1 375 . 1 1 34 34 LEU HD13 H 1 0.884 0.020 . 2 . . . . 64 LEU HD1 . 17593 1 376 . 1 1 34 34 LEU HD21 H 1 0.873 0.020 . 2 . . . . 64 LEU HD2 . 17593 1 377 . 1 1 34 34 LEU HD22 H 1 0.873 0.020 . 2 . . . . 64 LEU HD2 . 17593 1 378 . 1 1 34 34 LEU HD23 H 1 0.873 0.020 . 2 . . . . 64 LEU HD2 . 17593 1 379 . 1 1 34 34 LEU C C 13 176.350 0.3 . 1 . . . . 64 LEU C . 17593 1 380 . 1 1 34 34 LEU CA C 13 58.079 0.3 . 1 . . . . 64 LEU CA . 17593 1 381 . 1 1 34 34 LEU CB C 13 41.870 0.3 . 1 . . . . 64 LEU CB . 17593 1 382 . 1 1 34 34 LEU CD1 C 13 23.680 0.3 . 1 . . . . 64 LEU CD1 . 17593 1 383 . 1 1 34 34 LEU CD2 C 13 23.684 0.3 . 1 . . . . 64 LEU CD2 . 17593 1 384 . 1 1 34 34 LEU N N 15 117.168 0.3 . 1 . . . . 64 LEU N . 17593 1 385 . 1 1 35 35 THR H H 1 7.787 0.020 . 1 . . . . 65 THR H . 17593 1 386 . 1 1 35 35 THR HA H 1 3.794 0.020 . 1 . . . . 65 THR HA . 17593 1 387 . 1 1 35 35 THR HB H 1 4.329 0.020 . 1 . . . . 65 THR HB . 17593 1 388 . 1 1 35 35 THR HG21 H 1 1.202 0.020 . 1 . . . . 65 THR HG2 . 17593 1 389 . 1 1 35 35 THR HG22 H 1 1.202 0.020 . 1 . . . . 65 THR HG2 . 17593 1 390 . 1 1 35 35 THR HG23 H 1 1.202 0.020 . 1 . . . . 65 THR HG2 . 17593 1 391 . 1 1 35 35 THR C C 13 173.270 0.3 . 1 . . . . 65 THR C . 17593 1 392 . 1 1 35 35 THR CA C 13 67.203 0.3 . 1 . . . . 65 THR CA . 17593 1 393 . 1 1 35 35 THR CB C 13 68.920 0.3 . 1 . . . . 65 THR CB . 17593 1 394 . 1 1 35 35 THR CG2 C 13 23.478 0.3 . 1 . . . . 65 THR CG2 . 17593 1 395 . 1 1 35 35 THR N N 15 113.610 0.3 . 1 . . . . 65 THR N . 17593 1 396 . 1 1 36 36 LEU H H 1 7.682 0.020 . 1 . . . . 66 LEU H . 17593 1 397 . 1 1 36 36 LEU HA H 1 3.983 0.020 . 1 . . . . 66 LEU HA . 17593 1 398 . 1 1 36 36 LEU HB2 H 1 1.819 0.020 . 2 . . . . 66 LEU HB2 . 17593 1 399 . 1 1 36 36 LEU HB3 H 1 1.558 0.020 . 2 . . . . 66 LEU HB3 . 17593 1 400 . 1 1 36 36 LEU HG H 1 1.544 0.020 . 1 . . . . 66 LEU HG . 17593 1 401 . 1 1 36 36 LEU HD11 H 1 0.807 0.020 . 2 . . . . 66 LEU HD1 . 17593 1 402 . 1 1 36 36 LEU HD12 H 1 0.807 0.020 . 2 . . . . 66 LEU HD1 . 17593 1 403 . 1 1 36 36 LEU HD13 H 1 0.807 0.020 . 2 . . . . 66 LEU HD1 . 17593 1 404 . 1 1 36 36 LEU HD21 H 1 0.867 0.020 . 2 . . . . 66 LEU HD2 . 17593 1 405 . 1 1 36 36 LEU HD22 H 1 0.867 0.020 . 2 . . . . 66 LEU HD2 . 17593 1 406 . 1 1 36 36 LEU HD23 H 1 0.867 0.020 . 2 . . . . 66 LEU HD2 . 17593 1 407 . 1 1 36 36 LEU C C 13 176.910 0.3 . 1 . . . . 66 LEU C . 17593 1 408 . 1 1 36 36 LEU CA C 13 58.129 0.3 . 1 . . . . 66 LEU CA . 17593 1 409 . 1 1 36 36 LEU CB C 13 41.580 0.3 . 1 . . . . 66 LEU CB . 17593 1 410 . 1 1 36 36 LEU CG C 13 26.848 0.3 . 1 . . . . 66 LEU CG . 17593 1 411 . 1 1 36 36 LEU CD1 C 13 23.071 0.3 . 1 . . . . 66 LEU CD1 . 17593 1 412 . 1 1 36 36 LEU CD2 C 13 24.133 0.3 . 1 . . . . 66 LEU CD2 . 17593 1 413 . 1 1 36 36 LEU N N 15 120.970 0.3 . 1 . . . . 66 LEU N . 17593 1 414 . 1 1 37 37 ILE H H 1 7.923 0.020 . 1 . . . . 67 ILE H . 17593 1 415 . 1 1 37 37 ILE HA H 1 3.812 0.020 . 1 . . . . 67 ILE HA . 17593 1 416 . 1 1 37 37 ILE HB H 1 2.104 0.020 . 1 . . . . 67 ILE HB . 17593 1 417 . 1 1 37 37 ILE HG12 H 1 1.129 0.020 . 1 . . . . 67 ILE HG12 . 17593 1 418 . 1 1 37 37 ILE HG13 H 1 1.129 0.020 . 1 . . . . 67 ILE HG13 . 17593 1 419 . 1 1 37 37 ILE HG21 H 1 1.004 0.020 . 1 . . . . 67 ILE HG2 . 17593 1 420 . 1 1 37 37 ILE HG22 H 1 1.004 0.020 . 1 . . . . 67 ILE HG2 . 17593 1 421 . 1 1 37 37 ILE HG23 H 1 1.004 0.020 . 1 . . . . 67 ILE HG2 . 17593 1 422 . 1 1 37 37 ILE HD11 H 1 0.821 0.020 . 1 . . . . 67 ILE HD1 . 17593 1 423 . 1 1 37 37 ILE HD12 H 1 0.821 0.020 . 1 . . . . 67 ILE HD1 . 17593 1 424 . 1 1 37 37 ILE HD13 H 1 0.821 0.020 . 1 . . . . 67 ILE HD1 . 17593 1 425 . 1 1 37 37 ILE C C 13 175.870 0.3 . 1 . . . . 67 ILE C . 17593 1 426 . 1 1 37 37 ILE CA C 13 65.493 0.3 . 1 . . . . 67 ILE CA . 17593 1 427 . 1 1 37 37 ILE CB C 13 37.996 0.3 . 1 . . . . 67 ILE CB . 17593 1 428 . 1 1 37 37 ILE CG1 C 13 28.985 0.3 . 1 . . . . 67 ILE CG1 . 17593 1 429 . 1 1 37 37 ILE CG2 C 13 16.916 0.3 . 1 . . . . 67 ILE CG2 . 17593 1 430 . 1 1 37 37 ILE CD1 C 13 12.414 0.3 . 1 . . . . 67 ILE CD1 . 17593 1 431 . 1 1 37 37 ILE N N 15 120.093 0.3 . 1 . . . . 67 ILE N . 17593 1 432 . 1 1 38 38 VAL H H 1 8.332 0.020 . 1 . . . . 68 VAL H . 17593 1 433 . 1 1 38 38 VAL HA H 1 3.679 0.020 . 1 . . . . 68 VAL HA . 17593 1 434 . 1 1 38 38 VAL HB H 1 2.107 0.020 . 1 . . . . 68 VAL HB . 17593 1 435 . 1 1 38 38 VAL HG11 H 1 1.064 0.020 . 2 . . . . 68 VAL HG1 . 17593 1 436 . 1 1 38 38 VAL HG12 H 1 1.064 0.020 . 2 . . . . 68 VAL HG1 . 17593 1 437 . 1 1 38 38 VAL HG13 H 1 1.064 0.020 . 2 . . . . 68 VAL HG1 . 17593 1 438 . 1 1 38 38 VAL HG21 H 1 0.918 0.020 . 2 . . . . 68 VAL HG2 . 17593 1 439 . 1 1 38 38 VAL HG22 H 1 0.918 0.020 . 2 . . . . 68 VAL HG2 . 17593 1 440 . 1 1 38 38 VAL HG23 H 1 0.918 0.020 . 2 . . . . 68 VAL HG2 . 17593 1 441 . 1 1 38 38 VAL CA C 13 67.339 0.3 . 1 . . . . 68 VAL CA . 17593 1 442 . 1 1 38 38 VAL CB C 13 31.600 0.3 . 1 . . . . 68 VAL CB . 17593 1 443 . 1 1 38 38 VAL CG1 C 13 22.411 0.3 . 1 . . . . 68 VAL CG1 . 17593 1 444 . 1 1 38 38 VAL CG2 C 13 20.818 0.3 . 1 . . . . 68 VAL CG2 . 17593 1 445 . 1 1 38 38 VAL N N 15 120.631 0.3 . 1 . . . . 68 VAL N . 17593 1 446 . 1 1 39 39 VAL H H 1 8.719 0.020 . 1 . . . . 69 VAL H . 17593 1 447 . 1 1 39 39 VAL HA H 1 3.548 0.020 . 1 . . . . 69 VAL HA . 17593 1 448 . 1 1 39 39 VAL HB H 1 2.300 0.020 . 1 . . . . 69 VAL HB . 17593 1 449 . 1 1 39 39 VAL HG11 H 1 1.080 0.020 . 2 . . . . 69 VAL HG1 . 17593 1 450 . 1 1 39 39 VAL HG12 H 1 1.080 0.020 . 2 . . . . 69 VAL HG1 . 17593 1 451 . 1 1 39 39 VAL HG13 H 1 1.080 0.020 . 2 . . . . 69 VAL HG1 . 17593 1 452 . 1 1 39 39 VAL HG21 H 1 0.938 0.020 . 2 . . . . 69 VAL HG2 . 17593 1 453 . 1 1 39 39 VAL HG22 H 1 0.938 0.020 . 2 . . . . 69 VAL HG2 . 17593 1 454 . 1 1 39 39 VAL HG23 H 1 0.938 0.020 . 2 . . . . 69 VAL HG2 . 17593 1 455 . 1 1 39 39 VAL C C 13 176.670 0.3 . 1 . . . . 69 VAL C . 17593 1 456 . 1 1 39 39 VAL CA C 13 67.570 0.3 . 1 . . . . 69 VAL CA . 17593 1 457 . 1 1 39 39 VAL CB C 13 31.610 0.3 . 1 . . . . 69 VAL CB . 17593 1 458 . 1 1 39 39 VAL CG1 C 13 22.536 0.3 . 1 . . . . 69 VAL CG1 . 17593 1 459 . 1 1 39 39 VAL CG2 C 13 20.745 0.3 . 1 . . . . 69 VAL CG2 . 17593 1 460 . 1 1 39 39 VAL N N 15 124.630 0.3 . 1 . . . . 69 VAL N . 17593 1 461 . 1 1 40 40 TRP H H 1 8.844 0.020 . 1 . . . . 70 TRP H . 17593 1 462 . 1 1 40 40 TRP HA H 1 4.235 0.020 . 1 . . . . 70 TRP HA . 17593 1 463 . 1 1 40 40 TRP HB2 H 1 3.451 0.020 . 2 . . . . 70 TRP HB2 . 17593 1 464 . 1 1 40 40 TRP HB3 H 1 3.625 0.020 . 2 . . . . 70 TRP HB3 . 17593 1 465 . 1 1 40 40 TRP HD1 H 1 7.067 0.020 . 1 . . . . 70 TRP HD1 . 17593 1 466 . 1 1 40 40 TRP HE1 H 1 9.620 0.020 . 1 . . . . 70 TRP HE1 . 17593 1 467 . 1 1 40 40 TRP HE3 H 1 7.555 0.020 . 1 . . . . 70 TRP HE3 . 17593 1 468 . 1 1 40 40 TRP HZ2 H 1 7.363 0.020 . 1 . . . . 70 TRP HZ2 . 17593 1 469 . 1 1 40 40 TRP HZ3 H 1 7.022 0.020 . 1 . . . . 70 TRP HZ3 . 17593 1 470 . 1 1 40 40 TRP HH2 H 1 7.120 0.020 . 1 . . . . 70 TRP HH2 . 17593 1 471 . 1 1 40 40 TRP C C 13 177.010 0.3 . 1 . . . . 70 TRP C . 17593 1 472 . 1 1 40 40 TRP CA C 13 61.823 0.3 . 1 . . . . 70 TRP CA . 17593 1 473 . 1 1 40 40 TRP CB C 13 28.875 0.3 . 1 . . . . 70 TRP CB . 17593 1 474 . 1 1 40 40 TRP N N 15 124.900 0.3 . 1 . . . . 70 TRP N . 17593 1 475 . 1 1 40 40 TRP NE1 N 15 127.124 0.3 . 1 . . . . 70 TRP NE1 . 17593 1 476 . 1 1 41 41 ILE H H 1 9.249 0.020 . 1 . . . . 71 ILE H . 17593 1 477 . 1 1 41 41 ILE HA H 1 3.546 0.020 . 1 . . . . 71 ILE HA . 17593 1 478 . 1 1 41 41 ILE HB H 1 1.997 0.020 . 1 . . . . 71 ILE HB . 17593 1 479 . 1 1 41 41 ILE HG12 H 1 1.241 0.020 . 1 . . . . 71 ILE HG12 . 17593 1 480 . 1 1 41 41 ILE HG21 H 1 0.931 0.020 . 1 . . . . 71 ILE HG2 . 17593 1 481 . 1 1 41 41 ILE HG22 H 1 0.931 0.020 . 1 . . . . 71 ILE HG2 . 17593 1 482 . 1 1 41 41 ILE HG23 H 1 0.931 0.020 . 1 . . . . 71 ILE HG2 . 17593 1 483 . 1 1 41 41 ILE HD11 H 1 0.883 0.020 . 1 . . . . 71 ILE HD1 . 17593 1 484 . 1 1 41 41 ILE HD12 H 1 0.883 0.020 . 1 . . . . 71 ILE HD1 . 17593 1 485 . 1 1 41 41 ILE HD13 H 1 0.883 0.020 . 1 . . . . 71 ILE HD1 . 17593 1 486 . 1 1 41 41 ILE C C 13 177.790 0.3 . 1 . . . . 71 ILE C . 17593 1 487 . 1 1 41 41 ILE CA C 13 65.666 0.3 . 1 . . . . 71 ILE CA . 17593 1 488 . 1 1 41 41 ILE CB C 13 38.000 0.3 . 1 . . . . 71 ILE CB . 17593 1 489 . 1 1 41 41 ILE CD1 C 13 12.964 0.3 . 1 . . . . 71 ILE CD1 . 17593 1 490 . 1 1 41 41 ILE N N 15 119.514 0.3 . 1 . . . . 71 ILE N . 17593 1 491 . 1 1 42 42 THR H H 1 8.585 0.020 . 1 . . . . 72 THR H . 17593 1 492 . 1 1 42 42 THR HA H 1 3.912 0.020 . 1 . . . . 72 THR HA . 17593 1 493 . 1 1 42 42 THR HB H 1 4.251 0.020 . 1 . . . . 72 THR HB . 17593 1 494 . 1 1 42 42 THR HG21 H 1 1.274 0.020 . 1 . . . . 72 THR HG2 . 17593 1 495 . 1 1 42 42 THR HG22 H 1 1.274 0.020 . 1 . . . . 72 THR HG2 . 17593 1 496 . 1 1 42 42 THR HG23 H 1 1.274 0.020 . 1 . . . . 72 THR HG2 . 17593 1 497 . 1 1 42 42 THR C C 13 175.120 0.3 . 1 . . . . 72 THR C . 17593 1 498 . 1 1 42 42 THR CA C 13 66.584 0.3 . 1 . . . . 72 THR CA . 17593 1 499 . 1 1 42 42 THR CB C 13 68.850 0.3 . 1 . . . . 72 THR CB . 17593 1 500 . 1 1 42 42 THR CG2 C 13 20.728 0.3 . 1 . . . . 72 THR CG2 . 17593 1 501 . 1 1 42 42 THR N N 15 115.050 0.3 . 1 . . . . 72 THR N . 17593 1 502 . 1 1 43 43 SER H H 1 8.348 0.020 . 1 . . . . 73 SER H . 17593 1 503 . 1 1 43 43 SER HA H 1 4.705 0.020 . 1 . . . . 73 SER HA . 17593 1 504 . 1 1 43 43 SER HB2 H 1 3.873 0.020 . 1 . . . . 73 SER HB2 . 17593 1 505 . 1 1 43 43 SER HB3 H 1 3.873 0.020 . 1 . . . . 73 SER HB3 . 17593 1 506 . 1 1 43 43 SER C C 13 174.050 0.3 . 1 . . . . 73 SER C . 17593 1 507 . 1 1 43 43 SER CA C 13 62.119 0.3 . 1 . . . . 73 SER CA . 17593 1 508 . 1 1 43 43 SER CB C 13 62.920 0.3 . 1 . . . . 73 SER CB . 17593 1 509 . 1 1 43 43 SER N N 15 117.987 0.3 . 1 . . . . 73 SER N . 17593 1 510 . 1 1 44 44 ARG H H 1 7.732 0.020 . 1 . . . . 74 ARG H . 17593 1 511 . 1 1 44 44 ARG HA H 1 4.022 0.020 . 1 . . . . 74 ARG HA . 17593 1 512 . 1 1 44 44 ARG HB2 H 1 1.567 0.020 . 2 . . . . 74 ARG HB2 . 17593 1 513 . 1 1 44 44 ARG HB3 H 1 1.708 0.020 . 2 . . . . 74 ARG HB3 . 17593 1 514 . 1 1 44 44 ARG HG2 H 1 1.315 0.020 . 2 . . . . 74 ARG HG2 . 17593 1 515 . 1 1 44 44 ARG HG3 H 1 1.329 0.020 . 2 . . . . 74 ARG HG3 . 17593 1 516 . 1 1 44 44 ARG HD2 H 1 2.565 0.020 . 1 . . . . 74 ARG HD2 . 17593 1 517 . 1 1 44 44 ARG HD3 H 1 2.565 0.020 . 1 . . . . 74 ARG HD3 . 17593 1 518 . 1 1 44 44 ARG HE H 1 6.654 0.020 . 1 . . . . 74 ARG HE . 17593 1 519 . 1 1 44 44 ARG C C 13 175.840 0.3 . 1 . . . . 74 ARG C . 17593 1 520 . 1 1 44 44 ARG CA C 13 57.660 0.3 . 1 . . . . 74 ARG CA . 17593 1 521 . 1 1 44 44 ARG CB C 13 29.870 0.3 . 1 . . . . 74 ARG CB . 17593 1 522 . 1 1 44 44 ARG CG C 13 26.819 0.3 . 1 . . . . 74 ARG CG . 17593 1 523 . 1 1 44 44 ARG CD C 13 42.649 0.3 . 1 . . . . 74 ARG CD . 17593 1 524 . 1 1 44 44 ARG N N 15 121.340 0.3 . 1 . . . . 74 ARG N . 17593 1 525 . 1 1 44 44 ARG NE N 15 114.484 0.3 . 1 . . . . 74 ARG NE . 17593 1 526 . 1 1 45 45 SER H H 1 7.894 0.020 . 1 . . . . 75 SER H . 17593 1 527 . 1 1 45 45 SER HA H 1 4.270 0.020 . 1 . . . . 75 SER HA . 17593 1 528 . 1 1 45 45 SER HB2 H 1 3.902 0.020 . 1 . . . . 75 SER HB2 . 17593 1 529 . 1 1 45 45 SER HB3 H 1 3.902 0.020 . 1 . . . . 75 SER HB3 . 17593 1 530 . 1 1 45 45 SER C C 13 172.920 0.3 . 1 . . . . 75 SER C . 17593 1 531 . 1 1 45 45 SER CA C 13 60.113 0.3 . 1 . . . . 75 SER CA . 17593 1 532 . 1 1 45 45 SER CB C 13 63.590 0.3 . 1 . . . . 75 SER CB . 17593 1 533 . 1 1 45 45 SER N N 15 114.879 0.3 . 1 . . . . 75 SER N . 17593 1 534 . 1 1 46 46 ARG H H 1 7.737 0.020 . 1 . . . . 76 ARG H . 17593 1 535 . 1 1 46 46 ARG HA H 1 4.178 0.020 . 1 . . . . 76 ARG HA . 17593 1 536 . 1 1 46 46 ARG HB2 H 1 1.797 0.020 . 2 . . . . 76 ARG HB2 . 17593 1 537 . 1 1 46 46 ARG HB3 H 1 1.796 0.020 . 2 . . . . 76 ARG HB3 . 17593 1 538 . 1 1 46 46 ARG HG2 H 1 1.558 0.020 . 1 . . . . 76 ARG HG2 . 17593 1 539 . 1 1 46 46 ARG HG3 H 1 1.558 0.020 . 1 . . . . 76 ARG HG3 . 17593 1 540 . 1 1 46 46 ARG HD2 H 1 3.095 0.020 . 2 . . . . 76 ARG HD2 . 17593 1 541 . 1 1 46 46 ARG HD3 H 1 3.099 0.020 . 2 . . . . 76 ARG HD3 . 17593 1 542 . 1 1 46 46 ARG HE H 1 7.084 0.020 . 1 . . . . 76 ARG HE . 17593 1 543 . 1 1 46 46 ARG C C 13 174.090 0.3 . 1 . . . . 76 ARG C . 17593 1 544 . 1 1 46 46 ARG CA C 13 56.850 0.3 . 1 . . . . 76 ARG CA . 17593 1 545 . 1 1 46 46 ARG CB C 13 30.210 0.3 . 1 . . . . 76 ARG CB . 17593 1 546 . 1 1 46 46 ARG CG C 13 27.269 0.3 . 1 . . . . 76 ARG CG . 17593 1 547 . 1 1 46 46 ARG CD C 13 43.199 0.3 . 1 . . . . 76 ARG CD . 17593 1 548 . 1 1 46 46 ARG N N 15 120.922 0.3 . 1 . . . . 76 ARG N . 17593 1 549 . 1 1 46 46 ARG NE N 15 114.237 0.3 . 1 . . . . 76 ARG NE . 17593 1 550 . 1 1 47 47 LYS H H 1 7.861 0.020 . 1 . . . . 77 LYS H . 17593 1 551 . 1 1 47 47 LYS HA H 1 4.349 0.020 . 1 . . . . 77 LYS HA . 17593 1 552 . 1 1 47 47 LYS HB2 H 1 1.872 0.020 . 2 . . . . 77 LYS HB2 . 17593 1 553 . 1 1 47 47 LYS HB3 H 1 1.775 0.020 . 2 . . . . 77 LYS HB3 . 17593 1 554 . 1 1 47 47 LYS HG2 H 1 1.234 0.020 . 2 . . . . 77 LYS HG2 . 17593 1 555 . 1 1 47 47 LYS HG3 H 1 1.353 0.020 . 2 . . . . 77 LYS HG3 . 17593 1 556 . 1 1 47 47 LYS HD2 H 1 1.571 0.020 . 2 . . . . 77 LYS HD2 . 17593 1 557 . 1 1 47 47 LYS HD3 H 1 1.449 0.020 . 2 . . . . 77 LYS HD3 . 17593 1 558 . 1 1 47 47 LYS HE2 H 1 3.069 0.020 . 2 . . . . 77 LYS HE2 . 17593 1 559 . 1 1 47 47 LYS HE3 H 1 2.843 0.020 . 2 . . . . 77 LYS HE3 . 17593 1 560 . 1 1 47 47 LYS C C 13 173.900 0.3 . 1 . . . . 77 LYS C . 17593 1 561 . 1 1 47 47 LYS CA C 13 56.070 0.3 . 1 . . . . 77 LYS CA . 17593 1 562 . 1 1 47 47 LYS CB C 13 32.650 0.3 . 1 . . . . 77 LYS CB . 17593 1 563 . 1 1 47 47 LYS CG C 13 24.761 0.3 . 1 . . . . 77 LYS CG . 17593 1 564 . 1 1 47 47 LYS CD C 13 28.860 0.3 . 1 . . . . 77 LYS CD . 17593 1 565 . 1 1 47 47 LYS CE C 13 37.130 0.3 . 1 . . . . 77 LYS CE . 17593 1 566 . 1 1 47 47 LYS N N 15 119.628 0.3 . 1 . . . . 77 LYS N . 17593 1 567 . 1 1 48 48 THR H H 1 7.679 0.020 . 1 . . . . 78 THR H . 17593 1 568 . 1 1 48 48 THR HA H 1 4.550 0.020 . 1 . . . . 78 THR HA . 17593 1 569 . 1 1 48 48 THR HB H 1 4.238 0.020 . 1 . . . . 78 THR HB . 17593 1 570 . 1 1 48 48 THR HG21 H 1 1.252 0.020 . 1 . . . . 78 THR HG2 . 17593 1 571 . 1 1 48 48 THR HG22 H 1 1.252 0.020 . 1 . . . . 78 THR HG2 . 17593 1 572 . 1 1 48 48 THR HG23 H 1 1.252 0.020 . 1 . . . . 78 THR HG2 . 17593 1 573 . 1 1 48 48 THR CA C 13 61.730 0.3 . 1 . . . . 78 THR CA . 17593 1 574 . 1 1 48 48 THR CB C 13 69.460 0.3 . 1 . . . . 78 THR CB . 17593 1 575 . 1 1 48 48 THR CG2 C 13 21.229 0.3 . 1 . . . . 78 THR CG2 . 17593 1 576 . 1 1 48 48 THR N N 15 114.900 0.3 . 1 . . . . 78 THR N . 17593 1 577 . 1 1 49 49 PRO HA H 1 4.377 0.020 . 1 . . . . 79 PRO HA . 17593 1 578 . 1 1 49 49 PRO HB2 H 1 1.989 0.020 . 1 . . . . 79 PRO HB2 . 17593 1 579 . 1 1 49 49 PRO HB3 H 1 1.989 0.020 . 1 . . . . 79 PRO HB3 . 17593 1 580 . 1 1 49 49 PRO HG2 H 1 1.826 0.020 . 1 . . . . 79 PRO HG2 . 17593 1 581 . 1 1 49 49 PRO HG3 H 1 1.826 0.020 . 1 . . . . 79 PRO HG3 . 17593 1 582 . 1 1 49 49 PRO HD2 H 1 3.687 0.020 . 2 . . . . 79 PRO HD2 . 17593 1 583 . 1 1 49 49 PRO HD3 H 1 3.821 0.020 . 2 . . . . 79 PRO HD3 . 17593 1 584 . 1 1 49 49 PRO C C 13 175.180 0.3 . 1 . . . . 79 PRO C . 17593 1 585 . 1 1 49 49 PRO CA C 13 64.742 0.3 . 1 . . . . 79 PRO CA . 17593 1 586 . 1 1 49 49 PRO CD C 13 50.864 0.3 . 1 . . . . 79 PRO CD . 17593 1 587 . 1 1 50 50 ILE H H 1 7.462 0.020 . 1 . . . . 80 ILE H . 17593 1 588 . 1 1 50 50 ILE HA H 1 3.834 0.020 . 1 . . . . 80 ILE HA . 17593 1 589 . 1 1 50 50 ILE HB H 1 1.835 0.020 . 1 . . . . 80 ILE HB . 17593 1 590 . 1 1 50 50 ILE HG12 H 1 1.239 0.020 . 2 . . . . 80 ILE HG12 . 17593 1 591 . 1 1 50 50 ILE HG13 H 1 1.480 0.020 . 2 . . . . 80 ILE HG13 . 17593 1 592 . 1 1 50 50 ILE HD11 H 1 0.849 0.020 . 1 . . . . 80 ILE HD1 . 17593 1 593 . 1 1 50 50 ILE HD12 H 1 0.849 0.020 . 1 . . . . 80 ILE HD1 . 17593 1 594 . 1 1 50 50 ILE HD13 H 1 0.849 0.020 . 1 . . . . 80 ILE HD1 . 17593 1 595 . 1 1 50 50 ILE C C 13 174.250 0.3 . 1 . . . . 80 ILE C . 17593 1 596 . 1 1 50 50 ILE CA C 13 63.430 0.3 . 1 . . . . 80 ILE CA . 17593 1 597 . 1 1 50 50 ILE CB C 13 38.032 0.3 . 1 . . . . 80 ILE CB . 17593 1 598 . 1 1 50 50 ILE CG1 C 13 28.454 0.3 . 1 . . . . 80 ILE CG1 . 17593 1 599 . 1 1 50 50 ILE CD1 C 13 12.221 0.3 . 1 . . . . 80 ILE CD1 . 17593 1 600 . 1 1 50 50 ILE N N 15 117.626 0.3 . 1 . . . . 80 ILE N . 17593 1 601 . 1 1 51 51 PHE H H 1 7.561 0.020 . 1 . . . . 81 PHE H . 17593 1 602 . 1 1 51 51 PHE HA H 1 4.335 0.020 . 1 . . . . 81 PHE HA . 17593 1 603 . 1 1 51 51 PHE HB2 H 1 3.205 0.020 . 1 . . . . 81 PHE HB2 . 17593 1 604 . 1 1 51 51 PHE HB3 H 1 3.205 0.020 . 1 . . . . 81 PHE HB3 . 17593 1 605 . 1 1 51 51 PHE HD1 H 1 7.212 0.020 . 1 . . . . 81 PHE HD1 . 17593 1 606 . 1 1 51 51 PHE HD2 H 1 7.212 0.020 . 1 . . . . 81 PHE HD2 . 17593 1 607 . 1 1 51 51 PHE C C 13 175.460 0.3 . 1 . . . . 81 PHE C . 17593 1 608 . 1 1 51 51 PHE CA C 13 60.721 0.3 . 1 . . . . 81 PHE CA . 17593 1 609 . 1 1 51 51 PHE CB C 13 39.050 0.3 . 1 . . . . 81 PHE CB . 17593 1 610 . 1 1 51 51 PHE N N 15 120.187 0.3 . 1 . . . . 81 PHE N . 17593 1 611 . 1 1 52 52 ILE H H 1 7.530 0.020 . 1 . . . . 82 ILE H . 17593 1 612 . 1 1 52 52 ILE HA H 1 3.749 0.020 . 1 . . . . 82 ILE HA . 17593 1 613 . 1 1 52 52 ILE HB H 1 1.966 0.020 . 1 . . . . 82 ILE HB . 17593 1 614 . 1 1 52 52 ILE HG12 H 1 1.614 0.020 . 1 . . . . 82 ILE HG12 . 17593 1 615 . 1 1 52 52 ILE HG13 H 1 1.614 0.020 . 1 . . . . 82 ILE HG13 . 17593 1 616 . 1 1 52 52 ILE HD11 H 1 0.850 0.020 . 1 . . . . 82 ILE HD1 . 17593 1 617 . 1 1 52 52 ILE HD12 H 1 0.850 0.020 . 1 . . . . 82 ILE HD1 . 17593 1 618 . 1 1 52 52 ILE HD13 H 1 0.850 0.020 . 1 . . . . 82 ILE HD1 . 17593 1 619 . 1 1 52 52 ILE C C 13 175.250 0.3 . 1 . . . . 82 ILE C . 17593 1 620 . 1 1 52 52 ILE CA C 13 64.386 0.3 . 1 . . . . 82 ILE CA . 17593 1 621 . 1 1 52 52 ILE CB C 13 38.000 0.3 . 1 . . . . 82 ILE CB . 17593 1 622 . 1 1 52 52 ILE CD1 C 13 11.973 0.3 . 1 . . . . 82 ILE CD1 . 17593 1 623 . 1 1 52 52 ILE N N 15 120.025 0.3 . 1 . . . . 82 ILE N . 17593 1 624 . 1 1 53 53 ILE H H 1 7.957 0.020 . 1 . . . . 83 ILE H . 17593 1 625 . 1 1 53 53 ILE HA H 1 3.691 0.020 . 1 . . . . 83 ILE HA . 17593 1 626 . 1 1 53 53 ILE HB H 1 1.863 0.020 . 1 . . . . 83 ILE HB . 17593 1 627 . 1 1 53 53 ILE HG12 H 1 1.164 0.020 . 2 . . . . 83 ILE HG12 . 17593 1 628 . 1 1 53 53 ILE HG13 H 1 1.209 0.020 . 2 . . . . 83 ILE HG13 . 17593 1 629 . 1 1 53 53 ILE HG21 H 1 0.883 0.020 . 1 . . . . 83 ILE HG2 . 17593 1 630 . 1 1 53 53 ILE HG22 H 1 0.883 0.020 . 1 . . . . 83 ILE HG2 . 17593 1 631 . 1 1 53 53 ILE HG23 H 1 0.883 0.020 . 1 . . . . 83 ILE HG2 . 17593 1 632 . 1 1 53 53 ILE HD11 H 1 0.793 0.020 . 1 . . . . 83 ILE HD1 . 17593 1 633 . 1 1 53 53 ILE HD12 H 1 0.793 0.020 . 1 . . . . 83 ILE HD1 . 17593 1 634 . 1 1 53 53 ILE HD13 H 1 0.793 0.020 . 1 . . . . 83 ILE HD1 . 17593 1 635 . 1 1 53 53 ILE C C 13 177.020 0.3 . 1 . . . . 83 ILE C . 17593 1 636 . 1 1 53 53 ILE CA C 13 64.703 0.3 . 1 . . . . 83 ILE CA . 17593 1 637 . 1 1 53 53 ILE CB C 13 37.943 0.3 . 1 . . . . 83 ILE CB . 17593 1 638 . 1 1 53 53 ILE CG1 C 13 28.884 0.3 . 1 . . . . 83 ILE CG1 . 17593 1 639 . 1 1 53 53 ILE CG2 C 13 16.643 0.3 . 1 . . . . 83 ILE CG2 . 17593 1 640 . 1 1 53 53 ILE CD1 C 13 12.194 0.3 . 1 . . . . 83 ILE CD1 . 17593 1 641 . 1 1 53 53 ILE N N 15 120.080 0.3 . 1 . . . . 83 ILE N . 17593 1 642 . 1 1 54 54 ASN H H 1 8.244 0.020 . 1 . . . . 84 ASN H . 17593 1 643 . 1 1 54 54 ASN HA H 1 4.394 0.020 . 1 . . . . 84 ASN HA . 17593 1 644 . 1 1 54 54 ASN HB2 H 1 2.755 0.020 . 2 . . . . 84 ASN HB2 . 17593 1 645 . 1 1 54 54 ASN HB3 H 1 2.854 0.020 . 2 . . . . 84 ASN HB3 . 17593 1 646 . 1 1 54 54 ASN HD21 H 1 6.383 0.020 . 1 . . . . 84 ASN HD21 . 17593 1 647 . 1 1 54 54 ASN HD22 H 1 7.373 0.020 . 1 . . . . 84 ASN HD22 . 17593 1 648 . 1 1 54 54 ASN C C 13 174.510 0.3 . 1 . . . . 84 ASN C . 17593 1 649 . 1 1 54 54 ASN CA C 13 56.616 0.3 . 1 . . . . 84 ASN CA . 17593 1 650 . 1 1 54 54 ASN CB C 13 38.559 0.3 . 1 . . . . 84 ASN CB . 17593 1 651 . 1 1 54 54 ASN N N 15 120.152 0.3 . 1 . . . . 84 ASN N . 17593 1 652 . 1 1 54 54 ASN ND2 N 15 109.850 0.3 . 1 . . . . 84 ASN ND2 . 17593 1 653 . 1 1 55 55 GLN H H 1 7.928 0.020 . 1 . . . . 85 GLN H . 17593 1 654 . 1 1 55 55 GLN HA H 1 4.019 0.020 . 1 . . . . 85 GLN HA . 17593 1 655 . 1 1 55 55 GLN HB2 H 1 2.112 0.020 . 1 . . . . 85 GLN HB2 . 17593 1 656 . 1 1 55 55 GLN HB3 H 1 2.112 0.020 . 1 . . . . 85 GLN HB3 . 17593 1 657 . 1 1 55 55 GLN HG2 H 1 2.159 0.020 . 1 . . . . 85 GLN HG2 . 17593 1 658 . 1 1 55 55 GLN HG3 H 1 2.159 0.020 . 1 . . . . 85 GLN HG3 . 17593 1 659 . 1 1 55 55 GLN HE21 H 1 6.278 0.020 . 1 . . . . 85 GLN HE21 . 17593 1 660 . 1 1 55 55 GLN HE22 H 1 6.638 0.020 . 1 . . . . 85 GLN HE22 . 17593 1 661 . 1 1 55 55 GLN C C 13 176.140 0.3 . 1 . . . . 85 GLN C . 17593 1 662 . 1 1 55 55 GLN CA C 13 59.115 0.3 . 1 . . . . 85 GLN CA . 17593 1 663 . 1 1 55 55 GLN CB C 13 28.778 0.3 . 1 . . . . 85 GLN CB . 17593 1 664 . 1 1 55 55 GLN CG C 13 34.000 0.3 . 1 . . . . 85 GLN CG . 17593 1 665 . 1 1 55 55 GLN N N 15 119.481 0.3 . 1 . . . . 85 GLN N . 17593 1 666 . 1 1 55 55 GLN NE2 N 15 109.440 0.3 . 1 . . . . 85 GLN NE2 . 17593 1 667 . 1 1 56 56 VAL H H 1 8.521 0.020 . 1 . . . . 86 VAL H . 17593 1 668 . 1 1 56 56 VAL HA H 1 3.728 0.020 . 1 . . . . 86 VAL HA . 17593 1 669 . 1 1 56 56 VAL HB H 1 2.129 0.020 . 1 . . . . 86 VAL HB . 17593 1 670 . 1 1 56 56 VAL HG11 H 1 1.026 0.020 . 2 . . . . 86 VAL HG1 . 17593 1 671 . 1 1 56 56 VAL HG12 H 1 1.026 0.020 . 2 . . . . 86 VAL HG1 . 17593 1 672 . 1 1 56 56 VAL HG13 H 1 1.026 0.020 . 2 . . . . 86 VAL HG1 . 17593 1 673 . 1 1 56 56 VAL HG21 H 1 0.975 0.020 . 2 . . . . 86 VAL HG2 . 17593 1 674 . 1 1 56 56 VAL HG22 H 1 0.975 0.020 . 2 . . . . 86 VAL HG2 . 17593 1 675 . 1 1 56 56 VAL HG23 H 1 0.975 0.020 . 2 . . . . 86 VAL HG2 . 17593 1 676 . 1 1 56 56 VAL C C 13 175.660 0.3 . 1 . . . . 86 VAL C . 17593 1 677 . 1 1 56 56 VAL CA C 13 66.650 0.3 . 1 . . . . 86 VAL CA . 17593 1 678 . 1 1 56 56 VAL CB C 13 31.880 0.3 . 1 . . . . 86 VAL CB . 17593 1 679 . 1 1 56 56 VAL CG1 C 13 22.272 0.3 . 1 . . . . 86 VAL CG1 . 17593 1 680 . 1 1 56 56 VAL CG2 C 13 20.827 0.3 . 1 . . . . 86 VAL CG2 . 17593 1 681 . 1 1 56 56 VAL N N 15 120.561 0.3 . 1 . . . . 86 VAL N . 17593 1 682 . 1 1 57 57 SER H H 1 8.147 0.020 . 1 . . . . 87 SER H . 17593 1 683 . 1 1 57 57 SER HA H 1 4.127 0.020 . 1 . . . . 87 SER HA . 17593 1 684 . 1 1 57 57 SER HB2 H 1 3.708 0.020 . 2 . . . . 87 SER HB2 . 17593 1 685 . 1 1 57 57 SER HB3 H 1 3.870 0.020 . 2 . . . . 87 SER HB3 . 17593 1 686 . 1 1 57 57 SER C C 13 173.460 0.3 . 1 . . . . 87 SER C . 17593 1 687 . 1 1 57 57 SER CA C 13 63.031 0.3 . 1 . . . . 87 SER CA . 17593 1 688 . 1 1 57 57 SER CB C 13 62.750 0.3 . 1 . . . . 87 SER CB . 17593 1 689 . 1 1 57 57 SER N N 15 114.808 0.3 . 1 . . . . 87 SER N . 17593 1 690 . 1 1 58 58 LEU H H 1 7.760 0.020 . 1 . . . . 88 LEU H . 17593 1 691 . 1 1 58 58 LEU HA H 1 4.131 0.020 . 1 . . . . 88 LEU HA . 17593 1 692 . 1 1 58 58 LEU HB2 H 1 1.830 0.020 . 2 . . . . 88 LEU HB2 . 17593 1 693 . 1 1 58 58 LEU HB3 H 1 1.836 0.020 . 2 . . . . 88 LEU HB3 . 17593 1 694 . 1 1 58 58 LEU HG H 1 1.836 0.020 . 1 . . . . 88 LEU HG . 17593 1 695 . 1 1 58 58 LEU HD11 H 1 0.891 0.020 . 2 . . . . 88 LEU HD1 . 17593 1 696 . 1 1 58 58 LEU HD12 H 1 0.891 0.020 . 2 . . . . 88 LEU HD1 . 17593 1 697 . 1 1 58 58 LEU HD13 H 1 0.891 0.020 . 2 . . . . 88 LEU HD1 . 17593 1 698 . 1 1 58 58 LEU HD21 H 1 0.870 0.020 . 2 . . . . 88 LEU HD2 . 17593 1 699 . 1 1 58 58 LEU HD22 H 1 0.870 0.020 . 2 . . . . 88 LEU HD2 . 17593 1 700 . 1 1 58 58 LEU HD23 H 1 0.870 0.020 . 2 . . . . 88 LEU HD2 . 17593 1 701 . 1 1 58 58 LEU C C 13 176.160 0.3 . 1 . . . . 88 LEU C . 17593 1 702 . 1 1 58 58 LEU CA C 13 58.177 0.3 . 1 . . . . 88 LEU CA . 17593 1 703 . 1 1 58 58 LEU CB C 13 41.730 0.3 . 1 . . . . 88 LEU CB . 17593 1 704 . 1 1 58 58 LEU CG C 13 27.050 0.3 . 1 . . . . 88 LEU CG . 17593 1 705 . 1 1 58 58 LEU CD1 C 13 23.256 0.3 . 1 . . . . 88 LEU CD1 . 17593 1 706 . 1 1 58 58 LEU CD2 C 13 24.230 0.3 . 1 . . . . 88 LEU CD2 . 17593 1 707 . 1 1 58 58 LEU N N 15 121.873 0.3 . 1 . . . . 88 LEU N . 17593 1 708 . 1 1 59 59 PHE H H 1 8.058 0.020 . 1 . . . . 89 PHE H . 17593 1 709 . 1 1 59 59 PHE HA H 1 4.238 0.020 . 1 . . . . 89 PHE HA . 17593 1 710 . 1 1 59 59 PHE HB2 H 1 3.295 0.020 . 1 . . . . 89 PHE HB2 . 17593 1 711 . 1 1 59 59 PHE HB3 H 1 3.295 0.020 . 1 . . . . 89 PHE HB3 . 17593 1 712 . 1 1 59 59 PHE HD1 H 1 7.237 0.020 . 1 . . . . 89 PHE HD1 . 17593 1 713 . 1 1 59 59 PHE HD2 H 1 7.237 0.020 . 1 . . . . 89 PHE HD2 . 17593 1 714 . 1 1 59 59 PHE C C 13 175.100 0.3 . 1 . . . . 89 PHE C . 17593 1 715 . 1 1 59 59 PHE CA C 13 61.471 0.3 . 1 . . . . 89 PHE CA . 17593 1 716 . 1 1 59 59 PHE CB C 13 38.680 0.3 . 1 . . . . 89 PHE CB . 17593 1 717 . 1 1 59 59 PHE N N 15 119.510 0.3 . 1 . . . . 89 PHE N . 17593 1 718 . 1 1 60 60 LEU H H 1 8.436 0.020 . 1 . . . . 90 LEU H . 17593 1 719 . 1 1 60 60 LEU HD11 H 1 0.910 0.020 . 2 . . . . 90 LEU HD1 . 17593 1 720 . 1 1 60 60 LEU HD12 H 1 0.910 0.020 . 2 . . . . 90 LEU HD1 . 17593 1 721 . 1 1 60 60 LEU HD13 H 1 0.910 0.020 . 2 . . . . 90 LEU HD1 . 17593 1 722 . 1 1 60 60 LEU HD21 H 1 0.913 0.020 . 2 . . . . 90 LEU HD2 . 17593 1 723 . 1 1 60 60 LEU HD22 H 1 0.913 0.020 . 2 . . . . 90 LEU HD2 . 17593 1 724 . 1 1 60 60 LEU HD23 H 1 0.913 0.020 . 2 . . . . 90 LEU HD2 . 17593 1 725 . 1 1 60 60 LEU C C 13 178.700 0.3 . 1 . . . . 90 LEU C . 17593 1 726 . 1 1 60 60 LEU CA C 13 58.300 0.3 . 1 . . . . 90 LEU CA . 17593 1 727 . 1 1 60 60 LEU CB C 13 41.800 0.3 . 1 . . . . 90 LEU CB . 17593 1 728 . 1 1 60 60 LEU CD1 C 13 22.172 0.3 . 1 . . . . 90 LEU CD1 . 17593 1 729 . 1 1 60 60 LEU CD2 C 13 25.245 0.3 . 1 . . . . 90 LEU CD2 . 17593 1 730 . 1 1 60 60 LEU N N 15 117.956 0.3 . 1 . . . . 90 LEU N . 17593 1 731 . 1 1 61 61 ILE H H 1 8.256 0.020 . 1 . . . . 91 ILE H . 17593 1 732 . 1 1 61 61 ILE HA H 1 3.758 0.020 . 1 . . . . 91 ILE HA . 17593 1 733 . 1 1 61 61 ILE HB H 1 2.162 0.020 . 1 . . . . 91 ILE HB . 17593 1 734 . 1 1 61 61 ILE HD11 H 1 0.795 0.020 . 1 . . . . 91 ILE HD1 . 17593 1 735 . 1 1 61 61 ILE HD12 H 1 0.795 0.020 . 1 . . . . 91 ILE HD1 . 17593 1 736 . 1 1 61 61 ILE HD13 H 1 0.795 0.020 . 1 . . . . 91 ILE HD1 . 17593 1 737 . 1 1 61 61 ILE C C 13 177.520 0.3 . 1 . . . . 91 ILE C . 17593 1 738 . 1 1 61 61 ILE CA C 13 66.006 0.3 . 1 . . . . 91 ILE CA . 17593 1 739 . 1 1 61 61 ILE CB C 13 38.169 0.3 . 1 . . . . 91 ILE CB . 17593 1 740 . 1 1 61 61 ILE CD1 C 13 12.672 0.3 . 1 . . . . 91 ILE CD1 . 17593 1 741 . 1 1 61 61 ILE N N 15 123.621 0.3 . 1 . . . . 91 ILE N . 17593 1 742 . 1 1 62 62 ILE H H 1 8.565 0.020 . 1 . . . . 92 ILE H . 17593 1 743 . 1 1 62 62 ILE HA H 1 3.748 0.020 . 1 . . . . 92 ILE HA . 17593 1 744 . 1 1 62 62 ILE HB H 1 2.163 0.020 . 1 . . . . 92 ILE HB . 17593 1 745 . 1 1 62 62 ILE HG12 H 1 1.060 0.020 . 1 . . . . 92 ILE HG12 . 17593 1 746 . 1 1 62 62 ILE HG13 H 1 1.060 0.020 . 1 . . . . 92 ILE HG13 . 17593 1 747 . 1 1 62 62 ILE HG21 H 1 0.890 0.020 . 1 . . . . 92 ILE HG2 . 17593 1 748 . 1 1 62 62 ILE HG22 H 1 0.890 0.020 . 1 . . . . 92 ILE HG2 . 17593 1 749 . 1 1 62 62 ILE HG23 H 1 0.890 0.020 . 1 . . . . 92 ILE HG2 . 17593 1 750 . 1 1 62 62 ILE HD11 H 1 0.856 0.020 . 1 . . . . 92 ILE HD1 . 17593 1 751 . 1 1 62 62 ILE HD12 H 1 0.856 0.020 . 1 . . . . 92 ILE HD1 . 17593 1 752 . 1 1 62 62 ILE HD13 H 1 0.856 0.020 . 1 . . . . 92 ILE HD1 . 17593 1 753 . 1 1 62 62 ILE C C 13 176.570 0.3 . 1 . . . . 92 ILE C . 17593 1 754 . 1 1 62 62 ILE CA C 13 65.996 0.3 . 1 . . . . 92 ILE CA . 17593 1 755 . 1 1 62 62 ILE CB C 13 37.907 0.3 . 1 . . . . 92 ILE CB . 17593 1 756 . 1 1 62 62 ILE CG2 C 13 16.487 0.3 . 1 . . . . 92 ILE CG2 . 17593 1 757 . 1 1 62 62 ILE CD1 C 13 12.466 0.3 . 1 . . . . 92 ILE CD1 . 17593 1 758 . 1 1 62 62 ILE N N 15 125.539 0.3 . 1 . . . . 92 ILE N . 17593 1 759 . 1 1 63 63 LEU H H 1 8.763 0.020 . 1 . . . . 93 LEU H . 17593 1 760 . 1 1 63 63 LEU HA H 1 3.961 0.020 . 1 . . . . 93 LEU HA . 17593 1 761 . 1 1 63 63 LEU HB2 H 1 1.304 0.020 . 1 . . . . 93 LEU HB2 . 17593 1 762 . 1 1 63 63 LEU HB3 H 1 1.304 0.020 . 1 . . . . 93 LEU HB3 . 17593 1 763 . 1 1 63 63 LEU HG H 1 1.489 0.020 . 1 . . . . 93 LEU HG . 17593 1 764 . 1 1 63 63 LEU HD11 H 1 0.733 0.020 . 2 . . . . 93 LEU HD1 . 17593 1 765 . 1 1 63 63 LEU HD12 H 1 0.733 0.020 . 2 . . . . 93 LEU HD1 . 17593 1 766 . 1 1 63 63 LEU HD13 H 1 0.733 0.020 . 2 . . . . 93 LEU HD1 . 17593 1 767 . 1 1 63 63 LEU HD21 H 1 0.860 0.020 . 2 . . . . 93 LEU HD2 . 17593 1 768 . 1 1 63 63 LEU HD22 H 1 0.860 0.020 . 2 . . . . 93 LEU HD2 . 17593 1 769 . 1 1 63 63 LEU HD23 H 1 0.860 0.020 . 2 . . . . 93 LEU HD2 . 17593 1 770 . 1 1 63 63 LEU C C 13 176.910 0.3 . 1 . . . . 93 LEU C . 17593 1 771 . 1 1 63 63 LEU CA C 13 58.240 0.3 . 1 . . . . 93 LEU CA . 17593 1 772 . 1 1 63 63 LEU CB C 13 41.916 0.3 . 1 . . . . 93 LEU CB . 17593 1 773 . 1 1 63 63 LEU CD1 C 13 23.137 0.3 . 1 . . . . 93 LEU CD1 . 17593 1 774 . 1 1 63 63 LEU CD2 C 13 24.190 0.3 . 1 . . . . 93 LEU CD2 . 17593 1 775 . 1 1 63 63 LEU N N 15 121.515 0.3 . 1 . . . . 93 LEU N . 17593 1 776 . 1 1 64 64 HIS H H 1 8.315 0.020 . 1 . . . . 94 HIS H . 17593 1 777 . 1 1 64 64 HIS HA H 1 4.133 0.020 . 1 . . . . 94 HIS HA . 17593 1 778 . 1 1 64 64 HIS HB2 H 1 3.312 0.020 . 2 . . . . 94 HIS HB2 . 17593 1 779 . 1 1 64 64 HIS HB3 H 1 3.324 0.020 . 2 . . . . 94 HIS HB3 . 17593 1 780 . 1 1 64 64 HIS HD2 H 1 7.250 0.020 . 1 . . . . 94 HIS HD2 . 17593 1 781 . 1 1 64 64 HIS C C 13 174.820 0.3 . 1 . . . . 94 HIS C . 17593 1 782 . 1 1 64 64 HIS CA C 13 60.169 0.3 . 1 . . . . 94 HIS CA . 17593 1 783 . 1 1 64 64 HIS CB C 13 27.740 0.3 . 1 . . . . 94 HIS CB . 17593 1 784 . 1 1 64 64 HIS N N 15 114.468 0.3 . 1 . . . . 94 HIS N . 17593 1 785 . 1 1 65 65 SER H H 1 8.277 0.020 . 1 . . . . 95 SER H . 17593 1 786 . 1 1 65 65 SER HA H 1 3.882 0.020 . 1 . . . . 95 SER HA . 17593 1 787 . 1 1 65 65 SER HB2 H 1 4.085 0.020 . 2 . . . . 95 SER HB2 . 17593 1 788 . 1 1 65 65 SER HB3 H 1 3.997 0.020 . 2 . . . . 95 SER HB3 . 17593 1 789 . 1 1 65 65 SER C C 13 173.020 0.3 . 1 . . . . 95 SER C . 17593 1 790 . 1 1 65 65 SER CA C 13 62.170 0.3 . 1 . . . . 95 SER CA . 17593 1 791 . 1 1 65 65 SER CB C 13 62.720 0.3 . 1 . . . . 95 SER CB . 17593 1 792 . 1 1 65 65 SER N N 15 116.589 0.3 . 1 . . . . 95 SER N . 17593 1 793 . 1 1 66 66 ALA H H 1 8.496 0.020 . 1 . . . . 96 ALA H . 17593 1 794 . 1 1 66 66 ALA HA H 1 4.207 0.020 . 1 . . . . 96 ALA HA . 17593 1 795 . 1 1 66 66 ALA HB1 H 1 1.537 0.020 . 1 . . . . 96 ALA HB . 17593 1 796 . 1 1 66 66 ALA HB2 H 1 1.537 0.020 . 1 . . . . 96 ALA HB . 17593 1 797 . 1 1 66 66 ALA HB3 H 1 1.537 0.020 . 1 . . . . 96 ALA HB . 17593 1 798 . 1 1 66 66 ALA C C 13 178.190 0.3 . 1 . . . . 96 ALA C . 17593 1 799 . 1 1 66 66 ALA CA C 13 55.440 0.3 . 1 . . . . 96 ALA CA . 17593 1 800 . 1 1 66 66 ALA CB C 13 17.671 0.3 . 1 . . . . 96 ALA CB . 17593 1 801 . 1 1 66 66 ALA N N 15 126.076 0.3 . 1 . . . . 96 ALA N . 17593 1 802 . 1 1 67 67 LEU H H 1 8.198 0.020 . 1 . . . . 97 LEU H . 17593 1 803 . 1 1 67 67 LEU HA H 1 4.087 0.020 . 1 . . . . 97 LEU HA . 17593 1 804 . 1 1 67 67 LEU HB2 H 1 1.832 0.020 . 2 . . . . 97 LEU HB2 . 17593 1 805 . 1 1 67 67 LEU HB3 H 1 1.688 0.020 . 2 . . . . 97 LEU HB3 . 17593 1 806 . 1 1 67 67 LEU HG H 1 1.500 0.020 . 1 . . . . 97 LEU HG . 17593 1 807 . 1 1 67 67 LEU HD11 H 1 0.838 0.020 . 2 . . . . 97 LEU HD1 . 17593 1 808 . 1 1 67 67 LEU HD12 H 1 0.838 0.020 . 2 . . . . 97 LEU HD1 . 17593 1 809 . 1 1 67 67 LEU HD13 H 1 0.838 0.020 . 2 . . . . 97 LEU HD1 . 17593 1 810 . 1 1 67 67 LEU HD21 H 1 0.810 0.020 . 2 . . . . 97 LEU HD2 . 17593 1 811 . 1 1 67 67 LEU HD22 H 1 0.810 0.020 . 2 . . . . 97 LEU HD2 . 17593 1 812 . 1 1 67 67 LEU HD23 H 1 0.810 0.020 . 2 . . . . 97 LEU HD2 . 17593 1 813 . 1 1 67 67 LEU C C 13 177.130 0.3 . 1 . . . . 97 LEU C . 17593 1 814 . 1 1 67 67 LEU CA C 13 58.004 0.3 . 1 . . . . 97 LEU CA . 17593 1 815 . 1 1 67 67 LEU CB C 13 41.829 0.3 . 1 . . . . 97 LEU CB . 17593 1 816 . 1 1 67 67 LEU CD1 C 13 22.682 0.3 . 1 . . . . 97 LEU CD1 . 17593 1 817 . 1 1 67 67 LEU CD2 C 13 24.601 0.3 . 1 . . . . 97 LEU CD2 . 17593 1 818 . 1 1 67 67 LEU N N 15 118.484 0.3 . 1 . . . . 97 LEU N . 17593 1 819 . 1 1 68 68 TYR H H 1 8.100 0.020 . 1 . . . . 98 TYR H . 17593 1 820 . 1 1 68 68 TYR HA H 1 4.281 0.020 . 1 . . . . 98 TYR HA . 17593 1 821 . 1 1 68 68 TYR HB2 H 1 3.043 0.020 . 1 . . . . 98 TYR HB2 . 17593 1 822 . 1 1 68 68 TYR HB3 H 1 3.043 0.020 . 1 . . . . 98 TYR HB3 . 17593 1 823 . 1 1 68 68 TYR HD1 H 1 6.913 0.020 . 1 . . . . 98 TYR HD1 . 17593 1 824 . 1 1 68 68 TYR HD2 H 1 6.913 0.020 . 1 . . . . 98 TYR HD2 . 17593 1 825 . 1 1 68 68 TYR HE1 H 1 6.715 0.020 . 1 . . . . 98 TYR HE1 . 17593 1 826 . 1 1 68 68 TYR HE2 H 1 6.715 0.020 . 1 . . . . 98 TYR HE2 . 17593 1 827 . 1 1 68 68 TYR C C 13 175.380 0.3 . 1 . . . . 98 TYR C . 17593 1 828 . 1 1 68 68 TYR CA C 13 61.190 0.3 . 1 . . . . 98 TYR CA . 17593 1 829 . 1 1 68 68 TYR CB C 13 38.210 0.3 . 1 . . . . 98 TYR CB . 17593 1 830 . 1 1 68 68 TYR N N 15 120.676 0.3 . 1 . . . . 98 TYR N . 17593 1 831 . 1 1 69 69 PHE H H 1 8.340 0.020 . 1 . . . . 99 PHE H . 17593 1 832 . 1 1 69 69 PHE HA H 1 4.241 0.020 . 1 . . . . 99 PHE HA . 17593 1 833 . 1 1 69 69 PHE HB2 H 1 3.214 0.020 . 1 . . . . 99 PHE HB2 . 17593 1 834 . 1 1 69 69 PHE HB3 H 1 3.214 0.020 . 1 . . . . 99 PHE HB3 . 17593 1 835 . 1 1 69 69 PHE HD1 H 1 7.250 0.020 . 1 . . . . 99 PHE HD1 . 17593 1 836 . 1 1 69 69 PHE HD2 H 1 7.250 0.020 . 1 . . . . 99 PHE HD2 . 17593 1 837 . 1 1 69 69 PHE C C 13 175.370 0.3 . 1 . . . . 99 PHE C . 17593 1 838 . 1 1 69 69 PHE CA C 13 61.470 0.3 . 1 . . . . 99 PHE CA . 17593 1 839 . 1 1 69 69 PHE CB C 13 38.550 0.3 . 1 . . . . 99 PHE CB . 17593 1 840 . 1 1 69 69 PHE N N 15 119.143 0.3 . 1 . . . . 99 PHE N . 17593 1 841 . 1 1 70 70 LYS H H 1 8.198 0.020 . 1 . . . . 100 LYS H . 17593 1 842 . 1 1 70 70 LYS HA H 1 3.885 0.020 . 1 . . . . 100 LYS HA . 17593 1 843 . 1 1 70 70 LYS HB2 H 1 1.994 0.020 . 1 . . . . 100 LYS HB2 . 17593 1 844 . 1 1 70 70 LYS HB3 H 1 1.994 0.020 . 1 . . . . 100 LYS HB3 . 17593 1 845 . 1 1 70 70 LYS HG2 H 1 1.423 0.020 . 2 . . . . 100 LYS HG2 . 17593 1 846 . 1 1 70 70 LYS HG3 H 1 1.400 0.020 . 2 . . . . 100 LYS HG3 . 17593 1 847 . 1 1 70 70 LYS HD2 H 1 1.658 0.020 . 2 . . . . 100 LYS HD2 . 17593 1 848 . 1 1 70 70 LYS HD3 H 1 1.669 0.020 . 2 . . . . 100 LYS HD3 . 17593 1 849 . 1 1 70 70 LYS HE2 H 1 2.935 0.020 . 1 . . . . 100 LYS HE2 . 17593 1 850 . 1 1 70 70 LYS HE3 H 1 2.935 0.020 . 1 . . . . 100 LYS HE3 . 17593 1 851 . 1 1 70 70 LYS C C 13 177.340 0.3 . 1 . . . . 100 LYS C . 17593 1 852 . 1 1 70 70 LYS CA C 13 59.976 0.3 . 1 . . . . 100 LYS CA . 17593 1 853 . 1 1 70 70 LYS CB C 13 32.090 0.3 . 1 . . . . 100 LYS CB . 17593 1 854 . 1 1 70 70 LYS CG C 13 25.331 0.3 . 1 . . . . 100 LYS CG . 17593 1 855 . 1 1 70 70 LYS CD C 13 29.335 0.3 . 1 . . . . 100 LYS CD . 17593 1 856 . 1 1 70 70 LYS CE C 13 42.070 0.3 . 1 . . . . 100 LYS CE . 17593 1 857 . 1 1 70 70 LYS N N 15 118.762 0.3 . 1 . . . . 100 LYS N . 17593 1 858 . 1 1 71 71 TYR H H 1 8.283 0.020 . 1 . . . . 101 TYR H . 17593 1 859 . 1 1 71 71 TYR HA H 1 4.115 0.020 . 1 . . . . 101 TYR HA . 17593 1 860 . 1 1 71 71 TYR HB2 H 1 3.283 0.020 . 2 . . . . 101 TYR HB2 . 17593 1 861 . 1 1 71 71 TYR HB3 H 1 3.114 0.020 . 2 . . . . 101 TYR HB3 . 17593 1 862 . 1 1 71 71 TYR HD1 H 1 6.975 0.020 . 1 . . . . 101 TYR HD1 . 17593 1 863 . 1 1 71 71 TYR HD2 H 1 6.975 0.020 . 1 . . . . 101 TYR HD2 . 17593 1 864 . 1 1 71 71 TYR HE1 H 1 6.769 0.020 . 1 . . . . 101 TYR HE1 . 17593 1 865 . 1 1 71 71 TYR HE2 H 1 6.769 0.020 . 1 . . . . 101 TYR HE2 . 17593 1 866 . 1 1 71 71 TYR C C 13 176.260 0.3 . 1 . . . . 101 TYR C . 17593 1 867 . 1 1 71 71 TYR CA C 13 61.530 0.3 . 1 . . . . 101 TYR CA . 17593 1 868 . 1 1 71 71 TYR CB C 13 37.680 0.3 . 1 . . . . 101 TYR CB . 17593 1 869 . 1 1 71 71 TYR N N 15 122.562 0.3 . 1 . . . . 101 TYR N . 17593 1 870 . 1 1 72 72 LEU H H 1 8.438 0.020 . 1 . . . . 102 LEU H . 17593 1 871 . 1 1 72 72 LEU HA H 1 3.772 0.020 . 1 . . . . 102 LEU HA . 17593 1 872 . 1 1 72 72 LEU HB2 H 1 1.726 0.020 . 2 . . . . 102 LEU HB2 . 17593 1 873 . 1 1 72 72 LEU HB3 H 1 1.432 0.020 . 2 . . . . 102 LEU HB3 . 17593 1 874 . 1 1 72 72 LEU HG H 1 1.507 0.020 . 1 . . . . 102 LEU HG . 17593 1 875 . 1 1 72 72 LEU HD11 H 1 0.771 0.020 . 2 . . . . 102 LEU HD1 . 17593 1 876 . 1 1 72 72 LEU HD12 H 1 0.771 0.020 . 2 . . . . 102 LEU HD1 . 17593 1 877 . 1 1 72 72 LEU HD13 H 1 0.771 0.020 . 2 . . . . 102 LEU HD1 . 17593 1 878 . 1 1 72 72 LEU HD21 H 1 0.792 0.020 . 2 . . . . 102 LEU HD2 . 17593 1 879 . 1 1 72 72 LEU HD22 H 1 0.792 0.020 . 2 . . . . 102 LEU HD2 . 17593 1 880 . 1 1 72 72 LEU HD23 H 1 0.792 0.020 . 2 . . . . 102 LEU HD2 . 17593 1 881 . 1 1 72 72 LEU C C 13 177.630 0.3 . 1 . . . . 102 LEU C . 17593 1 882 . 1 1 72 72 LEU CA C 13 58.390 0.3 . 1 . . . . 102 LEU CA . 17593 1 883 . 1 1 72 72 LEU CB C 13 41.840 0.3 . 1 . . . . 102 LEU CB . 17593 1 884 . 1 1 72 72 LEU CG C 13 26.694 0.3 . 1 . . . . 102 LEU CG . 17593 1 885 . 1 1 72 72 LEU CD1 C 13 24.801 0.3 . 1 . . . . 102 LEU CD1 . 17593 1 886 . 1 1 72 72 LEU CD2 C 13 22.999 0.3 . 1 . . . . 102 LEU CD2 . 17593 1 887 . 1 1 72 72 LEU N N 15 122.990 0.3 . 1 . . . . 102 LEU N . 17593 1 888 . 1 1 73 73 LEU H H 1 8.382 0.020 . 1 . . . . 103 LEU H . 17593 1 889 . 1 1 73 73 LEU HA H 1 4.005 0.020 . 1 . . . . 103 LEU HA . 17593 1 890 . 1 1 73 73 LEU HB2 H 1 1.734 0.020 . 2 . . . . 103 LEU HB2 . 17593 1 891 . 1 1 73 73 LEU HB3 H 1 1.444 0.020 . 2 . . . . 103 LEU HB3 . 17593 1 892 . 1 1 73 73 LEU HG H 1 1.576 0.020 . 1 . . . . 103 LEU HG . 17593 1 893 . 1 1 73 73 LEU HD11 H 1 0.737 0.020 . 2 . . . . 103 LEU HD1 . 17593 1 894 . 1 1 73 73 LEU HD12 H 1 0.737 0.020 . 2 . . . . 103 LEU HD1 . 17593 1 895 . 1 1 73 73 LEU HD13 H 1 0.737 0.020 . 2 . . . . 103 LEU HD1 . 17593 1 896 . 1 1 73 73 LEU HD21 H 1 0.720 0.020 . 2 . . . . 103 LEU HD2 . 17593 1 897 . 1 1 73 73 LEU HD22 H 1 0.720 0.020 . 2 . . . . 103 LEU HD2 . 17593 1 898 . 1 1 73 73 LEU HD23 H 1 0.720 0.020 . 2 . . . . 103 LEU HD2 . 17593 1 899 . 1 1 73 73 LEU C C 13 177.900 0.3 . 1 . . . . 103 LEU C . 17593 1 900 . 1 1 73 73 LEU CA C 13 57.540 0.3 . 1 . . . . 103 LEU CA . 17593 1 901 . 1 1 73 73 LEU CB C 13 41.800 0.3 . 1 . . . . 103 LEU CB . 17593 1 902 . 1 1 73 73 LEU CG C 13 26.990 0.3 . 1 . . . . 103 LEU CG . 17593 1 903 . 1 1 73 73 LEU CD1 C 13 22.819 0.3 . 1 . . . . 103 LEU CD1 . 17593 1 904 . 1 1 73 73 LEU CD2 C 13 24.258 0.3 . 1 . . . . 103 LEU CD2 . 17593 1 905 . 1 1 73 73 LEU N N 15 119.078 0.3 . 1 . . . . 103 LEU N . 17593 1 906 . 1 1 74 74 SER H H 1 8.003 0.020 . 1 . . . . 104 SER H . 17593 1 907 . 1 1 74 74 SER HA H 1 4.182 0.020 . 1 . . . . 104 SER HA . 17593 1 908 . 1 1 74 74 SER HB2 H 1 3.854 0.020 . 1 . . . . 104 SER HB2 . 17593 1 909 . 1 1 74 74 SER HB3 H 1 3.854 0.020 . 1 . . . . 104 SER HB3 . 17593 1 910 . 1 1 74 74 SER C C 13 173.280 0.3 . 1 . . . . 104 SER C . 17593 1 911 . 1 1 74 74 SER CA C 13 61.060 0.3 . 1 . . . . 104 SER CA . 17593 1 912 . 1 1 74 74 SER CB C 13 63.150 0.3 . 1 . . . . 104 SER CB . 17593 1 913 . 1 1 74 74 SER N N 15 114.649 0.3 . 1 . . . . 104 SER N . 17593 1 914 . 1 1 75 75 ASN H H 1 7.685 0.020 . 1 . . . . 105 ASN H . 17593 1 915 . 1 1 75 75 ASN HA H 1 4.454 0.020 . 1 . . . . 105 ASN HA . 17593 1 916 . 1 1 75 75 ASN HB2 H 1 2.514 0.020 . 2 . . . . 105 ASN HB2 . 17593 1 917 . 1 1 75 75 ASN HB3 H 1 2.448 0.020 . 2 . . . . 105 ASN HB3 . 17593 1 918 . 1 1 75 75 ASN HD21 H 1 5.959 0.020 . 1 . . . . 105 ASN HD21 . 17593 1 919 . 1 1 75 75 ASN HD22 H 1 6.797 0.020 . 1 . . . . 105 ASN HD22 . 17593 1 920 . 1 1 75 75 ASN C C 13 173.890 0.3 . 1 . . . . 105 ASN C . 17593 1 921 . 1 1 75 75 ASN CA C 13 56.103 0.3 . 1 . . . . 105 ASN CA . 17593 1 922 . 1 1 75 75 ASN CB C 13 39.109 0.3 . 1 . . . . 105 ASN CB . 17593 1 923 . 1 1 75 75 ASN N N 15 119.803 0.3 . 1 . . . . 105 ASN N . 17593 1 924 . 1 1 75 75 ASN ND2 N 15 112.530 0.3 . 1 . . . . 105 ASN ND2 . 17593 1 925 . 1 1 76 76 TYR H H 1 8.147 0.020 . 1 . . . . 106 TYR H . 17593 1 926 . 1 1 76 76 TYR HA H 1 4.261 0.020 . 1 . . . . 106 TYR HA . 17593 1 927 . 1 1 76 76 TYR HB2 H 1 3.069 0.020 . 1 . . . . 106 TYR HB2 . 17593 1 928 . 1 1 76 76 TYR HB3 H 1 3.069 0.020 . 1 . . . . 106 TYR HB3 . 17593 1 929 . 1 1 76 76 TYR HD1 H 1 7.050 0.020 . 1 . . . . 106 TYR HD1 . 17593 1 930 . 1 1 76 76 TYR HD2 H 1 7.050 0.020 . 1 . . . . 106 TYR HD2 . 17593 1 931 . 1 1 76 76 TYR HE1 H 1 6.749 0.020 . 1 . . . . 106 TYR HE1 . 17593 1 932 . 1 1 76 76 TYR HE2 H 1 6.749 0.020 . 1 . . . . 106 TYR HE2 . 17593 1 933 . 1 1 76 76 TYR C C 13 174.710 0.3 . 1 . . . . 106 TYR C . 17593 1 934 . 1 1 76 76 TYR CA C 13 60.018 0.3 . 1 . . . . 106 TYR CA . 17593 1 935 . 1 1 76 76 TYR CB C 13 38.306 0.3 . 1 . . . . 106 TYR CB . 17593 1 936 . 1 1 76 76 TYR N N 15 120.434 0.3 . 1 . . . . 106 TYR N . 17593 1 937 . 1 1 77 77 SER H H 1 7.954 0.020 . 1 . . . . 107 SER H . 17593 1 938 . 1 1 77 77 SER HA H 1 4.295 0.020 . 1 . . . . 107 SER HA . 17593 1 939 . 1 1 77 77 SER HB2 H 1 3.926 0.020 . 2 . . . . 107 SER HB2 . 17593 1 940 . 1 1 77 77 SER HB3 H 1 3.871 0.020 . 2 . . . . 107 SER HB3 . 17593 1 941 . 1 1 77 77 SER C C 13 172.550 0.3 . 1 . . . . 107 SER C . 17593 1 942 . 1 1 77 77 SER CA C 13 59.480 0.3 . 1 . . . . 107 SER CA . 17593 1 943 . 1 1 77 77 SER CB C 13 63.660 0.3 . 1 . . . . 107 SER CB . 17593 1 944 . 1 1 77 77 SER N N 15 114.923 0.3 . 1 . . . . 107 SER N . 17593 1 945 . 1 1 78 78 SER H H 1 7.849 0.020 . 1 . . . . 108 SER H . 17593 1 946 . 1 1 78 78 SER HA H 1 4.457 0.020 . 1 . . . . 108 SER HA . 17593 1 947 . 1 1 78 78 SER HB2 H 1 3.955 0.020 . 2 . . . . 108 SER HB2 . 17593 1 948 . 1 1 78 78 SER HB3 H 1 3.863 0.020 . 2 . . . . 108 SER HB3 . 17593 1 949 . 1 1 78 78 SER C C 13 172.320 0.3 . 1 . . . . 108 SER C . 17593 1 950 . 1 1 78 78 SER CA C 13 59.161 0.3 . 1 . . . . 108 SER CA . 17593 1 951 . 1 1 78 78 SER CB C 13 63.820 0.3 . 1 . . . . 108 SER CB . 17593 1 952 . 1 1 78 78 SER N N 15 116.701 0.3 . 1 . . . . 108 SER N . 17593 1 953 . 1 1 79 79 VAL H H 1 7.676 0.020 . 1 . . . . 109 VAL H . 17593 1 954 . 1 1 79 79 VAL HA H 1 4.234 0.020 . 1 . . . . 109 VAL HA . 17593 1 955 . 1 1 79 79 VAL HB H 1 2.180 0.020 . 1 . . . . 109 VAL HB . 17593 1 956 . 1 1 79 79 VAL HG11 H 1 0.936 0.020 . 2 . . . . 109 VAL HG1 . 17593 1 957 . 1 1 79 79 VAL HG12 H 1 0.936 0.020 . 2 . . . . 109 VAL HG1 . 17593 1 958 . 1 1 79 79 VAL HG13 H 1 0.936 0.020 . 2 . . . . 109 VAL HG1 . 17593 1 959 . 1 1 79 79 VAL HG21 H 1 0.937 0.020 . 2 . . . . 109 VAL HG2 . 17593 1 960 . 1 1 79 79 VAL HG22 H 1 0.937 0.020 . 2 . . . . 109 VAL HG2 . 17593 1 961 . 1 1 79 79 VAL HG23 H 1 0.937 0.020 . 2 . . . . 109 VAL HG2 . 17593 1 962 . 1 1 79 79 VAL C C 13 173.960 0.3 . 1 . . . . 109 VAL C . 17593 1 963 . 1 1 79 79 VAL CA C 13 62.570 0.3 . 1 . . . . 109 VAL CA . 17593 1 964 . 1 1 79 79 VAL CB C 13 32.460 0.3 . 1 . . . . 109 VAL CB . 17593 1 965 . 1 1 79 79 VAL CG1 C 13 20.148 0.3 . 1 . . . . 109 VAL CG1 . 17593 1 966 . 1 1 79 79 VAL CG2 C 13 20.986 0.3 . 1 . . . . 109 VAL CG2 . 17593 1 967 . 1 1 79 79 VAL N N 15 119.474 0.3 . 1 . . . . 109 VAL N . 17593 1 968 . 1 1 80 80 THR H H 1 7.718 0.020 . 1 . . . . 110 THR H . 17593 1 969 . 1 1 80 80 THR HA H 1 4.370 0.020 . 1 . . . . 110 THR HA . 17593 1 970 . 1 1 80 80 THR HB H 1 4.366 0.020 . 1 . . . . 110 THR HB . 17593 1 971 . 1 1 80 80 THR HG21 H 1 0.966 0.020 . 1 . . . . 110 THR HG2 . 17593 1 972 . 1 1 80 80 THR HG22 H 1 0.966 0.020 . 1 . . . . 110 THR HG2 . 17593 1 973 . 1 1 80 80 THR HG23 H 1 0.966 0.020 . 1 . . . . 110 THR HG2 . 17593 1 974 . 1 1 80 80 THR CA C 13 61.760 0.3 . 1 . . . . 110 THR CA . 17593 1 975 . 1 1 80 80 THR CB C 13 70.478 0.3 . 1 . . . . 110 THR CB . 17593 1 976 . 1 1 80 80 THR CG2 C 13 21.192 0.3 . 1 . . . . 110 THR CG2 . 17593 1 977 . 1 1 80 80 THR N N 15 115.128 0.3 . 1 . . . . 110 THR N . 17593 1 stop_ save_