data_15995 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15995 _Entry.Title ; Structure of TM1_TM2 in LPPG micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-21 _Entry.Accession_date 2008-10-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Structure of a fragment comprising TM1 and TM2 helices from the yeast Ste2p GPCR in LPPG micelles' _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 Alexey Neumoin N. . . 15995 2 Oliver Zerbe . . . 15995 3 Naider Fred . . . 15995 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15995 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID fragment . 15995 GPCR . 15995 micelle . 15995 NMR . 15995 'structurral biology' . 15995 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15995 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 15995 '15N chemical shifts' 76 15995 '1H chemical shifts' 533 15995 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-25 2008-10-21 update BMRB 'update entity name' 15995 1 . . 2009-05-18 2008-10-21 original author 'original release' 15995 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K9P 'BMRB Entry Tracking System' 15995 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15995 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19383463 _Citation.Full_citation . _Citation.Title 'STRUCTURE OF A DOUBLE TRANSMEMBRANE FRAGMENT OF A G PROTEIN-COUPLED RECEPTOR IN MICELLES' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys J.' _Citation.Journal_name_full 'Biophysical Journal' _Citation.Journal_volume 96 _Citation.Journal_issue 8 _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 3187 _Citation.Page_last 3196 _Citation.Year 2009 _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 Alexey Neumoin N. . . 15995 1 2 Leah Cohen . . . 15995 1 3 Boris Arshava . . . 15995 1 4 Subramanyam Tantry . . . 15995 1 5 Jeffey Becker . M. . 15995 1 6 Oliver Zerbe . . . 15995 1 7 Fred Naider . . . 15995 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15995 _Assembly.ID 1 _Assembly.Name 'TM1_TM2 in LPPG micelles' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TM1_TM2 in LPPG micelles' 1 $entity A . yes native no no . . . 15995 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15995 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TM1_TM2 in LPPG micelles' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNGSTITFDELQGLVNSTVT QAILFGVRSGAAALTLIVVW ITSRSRKTPIFIINQVSLFL IILHSALYFKYLLSNYSSVT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'First residue is 31 according to numbering in the full-length Ste2p receptor' _Entity.Polymer_author_seq_details 'fragment comprising part of the N-terminal domain, TM1, I1, TM2, E1' _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 man _Entity.Parent_entity_ID . _Entity.Fragment TM1-TM2 _Entity.Mutation 'M54L, C59S, M69V, M71I mutations done to facilitate CNBr cleavage' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8757.232 _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 17211 . Ste2p_TM1-TM3_(G31-R161) . . . . . 100.00 131 100.00 100.00 7.50e-47 . . . . 15995 1 no BMRB 17593 . TM1_TM2 . . . . . 100.00 80 100.00 100.00 2.06e-47 . . . . 15995 1 no PDB 2K9P . "Structure Of Tm1_tm2 In Lppg Micelles" . . . . . 100.00 80 100.00 100.00 2.06e-47 . . . . 15995 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 . 15995 1 2 32 ASN . 15995 1 3 33 GLY . 15995 1 4 34 SER . 15995 1 5 35 THR . 15995 1 6 36 ILE . 15995 1 7 37 THR . 15995 1 8 38 PHE . 15995 1 9 39 ASP . 15995 1 10 40 GLU . 15995 1 11 41 LEU . 15995 1 12 42 GLN . 15995 1 13 43 GLY . 15995 1 14 44 LEU . 15995 1 15 45 VAL . 15995 1 16 46 ASN . 15995 1 17 47 SER . 15995 1 18 48 THR . 15995 1 19 49 VAL . 15995 1 20 50 THR . 15995 1 21 51 GLN . 15995 1 22 52 ALA . 15995 1 23 53 ILE . 15995 1 24 54 LEU . 15995 1 25 55 PHE . 15995 1 26 56 GLY . 15995 1 27 57 VAL . 15995 1 28 58 ARG . 15995 1 29 59 SER . 15995 1 30 60 GLY . 15995 1 31 61 ALA . 15995 1 32 62 ALA . 15995 1 33 63 ALA . 15995 1 34 64 LEU . 15995 1 35 65 THR . 15995 1 36 66 LEU . 15995 1 37 67 ILE . 15995 1 38 68 VAL . 15995 1 39 69 VAL . 15995 1 40 70 TRP . 15995 1 41 71 ILE . 15995 1 42 72 THR . 15995 1 43 73 SER . 15995 1 44 74 ARG . 15995 1 45 75 SER . 15995 1 46 76 ARG . 15995 1 47 77 LYS . 15995 1 48 78 THR . 15995 1 49 79 PRO . 15995 1 50 80 ILE . 15995 1 51 81 PHE . 15995 1 52 82 ILE . 15995 1 53 83 ILE . 15995 1 54 84 ASN . 15995 1 55 85 GLN . 15995 1 56 86 VAL . 15995 1 57 87 SER . 15995 1 58 88 LEU . 15995 1 59 89 PHE . 15995 1 60 90 LEU . 15995 1 61 91 ILE . 15995 1 62 92 ILE . 15995 1 63 93 LEU . 15995 1 64 94 HIS . 15995 1 65 95 SER . 15995 1 66 96 ALA . 15995 1 67 97 LEU . 15995 1 68 98 TYR . 15995 1 69 99 PHE . 15995 1 70 100 LYS . 15995 1 71 101 TYR . 15995 1 72 102 LEU . 15995 1 73 103 LEU . 15995 1 74 104 SER . 15995 1 75 105 ASN . 15995 1 76 106 TYR . 15995 1 77 107 SER . 15995 1 78 108 SER . 15995 1 79 109 VAL . 15995 1 80 110 THR . 15995 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 15995 1 . ASN 2 2 15995 1 . GLY 3 3 15995 1 . SER 4 4 15995 1 . THR 5 5 15995 1 . ILE 6 6 15995 1 . THR 7 7 15995 1 . PHE 8 8 15995 1 . ASP 9 9 15995 1 . GLU 10 10 15995 1 . LEU 11 11 15995 1 . GLN 12 12 15995 1 . GLY 13 13 15995 1 . LEU 14 14 15995 1 . VAL 15 15 15995 1 . ASN 16 16 15995 1 . SER 17 17 15995 1 . THR 18 18 15995 1 . VAL 19 19 15995 1 . THR 20 20 15995 1 . GLN 21 21 15995 1 . ALA 22 22 15995 1 . ILE 23 23 15995 1 . LEU 24 24 15995 1 . PHE 25 25 15995 1 . GLY 26 26 15995 1 . VAL 27 27 15995 1 . ARG 28 28 15995 1 . SER 29 29 15995 1 . GLY 30 30 15995 1 . ALA 31 31 15995 1 . ALA 32 32 15995 1 . ALA 33 33 15995 1 . LEU 34 34 15995 1 . THR 35 35 15995 1 . LEU 36 36 15995 1 . ILE 37 37 15995 1 . VAL 38 38 15995 1 . VAL 39 39 15995 1 . TRP 40 40 15995 1 . ILE 41 41 15995 1 . THR 42 42 15995 1 . SER 43 43 15995 1 . ARG 44 44 15995 1 . SER 45 45 15995 1 . ARG 46 46 15995 1 . LYS 47 47 15995 1 . THR 48 48 15995 1 . PRO 49 49 15995 1 . ILE 50 50 15995 1 . PHE 51 51 15995 1 . ILE 52 52 15995 1 . ILE 53 53 15995 1 . ASN 54 54 15995 1 . GLN 55 55 15995 1 . VAL 56 56 15995 1 . SER 57 57 15995 1 . LEU 58 58 15995 1 . PHE 59 59 15995 1 . LEU 60 60 15995 1 . ILE 61 61 15995 1 . ILE 62 62 15995 1 . LEU 63 63 15995 1 . HIS 64 64 15995 1 . SER 65 65 15995 1 . ALA 66 66 15995 1 . LEU 67 67 15995 1 . TYR 68 68 15995 1 . PHE 69 69 15995 1 . LYS 70 70 15995 1 . TYR 71 71 15995 1 . LEU 72 72 15995 1 . LEU 73 73 15995 1 . SER 74 74 15995 1 . ASN 75 75 15995 1 . TYR 76 76 15995 1 . SER 77 77 15995 1 . SER 78 78 15995 1 . VAL 79 79 15995 1 . THR 80 80 15995 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 15995 _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 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 15995 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 15995 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'AI (arabinose induced)' . . . . . . . . . . . . . . pLC01 . . . 'arabinose-induced E.coli vector, protein encoded as the delta-Trp fusion, cleaved by CNBr cleavage' . . 15995 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TM1-TM2_BBassign _Sample.Sf_category sample _Sample.Sf_framecode TM1-TM2_BBassign _Sample.Entry_ID 15995 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'for backbone assignment' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LPPG 'natural abundance' . . . . . . 200 . . mM . . . . 15995 1 2 'Na-phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15995 1 3 'TM1-TM2 peptide' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 15995 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15995 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15995 1 stop_ save_ save_TM1-TM2_15N _Sample.Sf_category sample _Sample.Sf_framecode TM1-TM2_15N _Sample.Entry_ID 15995 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'for 15N-NOESY measurement' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LPPG 'natural abundance' . . . . . . 200 . . mM . . . . 15995 2 2 'Na-phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15995 2 3 'TM1-TM2 peptide' '[U-100% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 15995 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15995 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15995 2 stop_ save_ save_TM1-TM2_15N2H _Sample.Sf_category sample _Sample.Sf_framecode TM1-TM2_15N2H _Sample.Entry_ID 15995 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'for 15N-NOESY measurement on a 80%-deuterated background' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LPPG 'natural abundance' . . . . . . 200 . . mM . . . . 15995 3 2 'Na-phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15995 3 3 'TM1-TM2 peptide' '[U-100% 15N; 80% 2H]' . . 1 $entity . . 0.4 . . mM . . . . 15995 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15995 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15995 3 stop_ save_ save_TM1-TM2_13C _Sample.Sf_category sample _Sample.Sf_framecode TM1-TM2_13C _Sample.Entry_ID 15995 _Sample.ID 4 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'for 13C-NOESY measurement' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LPPG '[>85% 2H]' . . . . . . 200 . . mM . . . . 15995 4 2 'Na-phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15995 4 3 'TM1-TM2 peptide' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 15995 4 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15995 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15995 4 stop_ save_ save_TM1-TM2_13C2H1H(Me) _Sample.Sf_category sample _Sample.Sf_framecode TM1-TM2_13C2H1H(Me) _Sample.Entry_ID 15995 _Sample.ID 5 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'For 13C-NOESY measurement on selectively protonated Me-groups of Ile, Leu and Val residues on otherwise deuterated background.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LPPG '[>85% 2H]' . . . . . . 200 . . mM . . . . 15995 5 2 'Na-phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15995 5 3 'TM1-TM2 peptide' '[U-100% 13C; U-100% 15N; >98% 2H; Me(Ile(Hd1),Leu(Hd),Val(Hg)) 1H]' . . . . . . 0.4 . . mM . . . . 15995 5 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15995 5 stop_ save_ ####################### # Sample conditions # ####################### save_TM1-TM2_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode TM1-TM2_conditions _Sample_condition_list.Entry_ID 15995 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'TM1-TM2 samples were all measured under the same conditions in NMR Shigemi tubes.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 . pH 15995 1 pressure 1 . atm 15995 1 temperature 320 . K 15995 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15995 _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 'P.GUNTERT ET AL.' . . 15995 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15995 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15995 _Software.ID 2 _Software.Name XEASY _Software.Version 55 _Software.Details 'spectra interpretation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15995 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15995 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15995 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details 'spectra interpretation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller et al.' . . 15995 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15995 3 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 15995 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; all tripleresonance experiments for assignment, 15N-NOESY, 15N-relaxation data ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15995 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 13C-NOESY _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15995 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 ; all tripleresonance experiments for assignment, 15N-NOESY, 15N-relaxation data ; . . 15995 1 2 spectrometer_2 Bruker Avance . 900 13C-NOESY . . 15995 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 15995 _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 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 3 '3D HNCO' no . . . . . . . . . . 1 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 4 '3D HNCA' no . . . . . . . . . . 1 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 5 '3D HNCACB' no . . . . . . . . . . 1 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $TM1-TM2_BBassign isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $TM1-TM2_15N isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $TM1-TM2_15N2H isotropic . . 1 $TM1-TM2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15995 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $TM1-TM2_13C isotropic . . 1 $TM1-TM2_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15995 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $TM1-TM2_13C2H1H(Me) isotropic . . 1 $TM1-TM2_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15995 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 15995 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referencing of 1H shifts to the water line at 4.48 ppm at 47 C, 15N and 13C scale using the conversion factors of the BMRB' 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 water protons . . . . ppm 4.48 internal indirect 0.25144954 . . . . . . . . . 15995 1 H 1 water protons . . . . ppm 4.48 internal direct 1.0 . . . . . . . . . 15995 1 N 15 water protons . . . . ppm 4.48 internal indirect 0.10132900 . . . . . . . . . 15995 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 15995 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $TM1-TM2_conditions _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' . . . 15995 1 2 '2D 1H-13C HSQC' . . . 15995 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 15995 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 3.85 0.02 . 1 . . . . 31 GLY HA2 . 15995 1 2 . 1 1 1 1 GLY CA C 13 41.0 0.3 . 1 . . . . 31 GLY CA . 15995 1 3 . 1 1 2 2 ASN HA H 1 4.71 0.02 . 1 . . . . 32 ASN HA . 15995 1 4 . 1 1 2 2 ASN HB2 H 1 2.76 0.02 . 2 . . . . 32 ASN HB2 . 15995 1 5 . 1 1 2 2 ASN HB3 H 1 2.82 0.02 . 2 . . . . 32 ASN HB3 . 15995 1 6 . 1 1 2 2 ASN CA C 13 50.8 0.3 . 1 . . . . 32 ASN CA . 15995 1 7 . 1 1 2 2 ASN CB C 13 36.4 0.3 . 1 . . . . 32 ASN CB . 15995 1 8 . 1 1 3 3 GLY H H 1 8.47 0.02 . 1 . . . . 33 GLY H . 15995 1 9 . 1 1 3 3 GLY HA2 H 1 3.89 0.02 . 2 . . . . 33 GLY HA2 . 15995 1 10 . 1 1 3 3 GLY HA3 H 1 3.99 0.02 . 2 . . . . 33 GLY HA3 . 15995 1 11 . 1 1 3 3 GLY C C 13 171.5 0.3 . 1 . . . . 33 GLY C . 15995 1 12 . 1 1 3 3 GLY CA C 13 42.9 0.3 . 1 . . . . 33 GLY CA . 15995 1 13 . 1 1 3 3 GLY N N 15 109.3 0.3 . 1 . . . . 33 GLY N . 15995 1 14 . 1 1 4 4 SER H H 1 8.02 0.02 . 1 . . . . 34 SER H . 15995 1 15 . 1 1 4 4 SER HA H 1 4.48 0.02 . 1 . . . . 34 SER HA . 15995 1 16 . 1 1 4 4 SER HB2 H 1 3.81 0.02 . 1 . . . . 34 SER HB2 . 15995 1 17 . 1 1 4 4 SER C C 13 171.7 0.3 . 1 . . . . 34 SER C . 15995 1 18 . 1 1 4 4 SER CA C 13 55.6 0.3 . 1 . . . . 34 SER CA . 15995 1 19 . 1 1 4 4 SER CB C 13 61.4 0.3 . 1 . . . . 34 SER CB . 15995 1 20 . 1 1 4 4 SER N N 15 115.2 0.3 . 1 . . . . 34 SER N . 15995 1 21 . 1 1 5 5 THR H H 1 8.03 0.02 . 1 . . . . 35 THR H . 15995 1 22 . 1 1 5 5 THR HA H 1 4.30 0.02 . 1 . . . . 35 THR HA . 15995 1 23 . 1 1 5 5 THR HB H 1 4.12 0.02 . 1 . . . . 35 THR HB . 15995 1 24 . 1 1 5 5 THR HG21 H 1 1.15 0.02 . 1 . . . . 35 THR HG2 . 15995 1 25 . 1 1 5 5 THR HG22 H 1 1.15 0.02 . 1 . . . . 35 THR HG2 . 15995 1 26 . 1 1 5 5 THR HG23 H 1 1.15 0.02 . 1 . . . . 35 THR HG2 . 15995 1 27 . 1 1 5 5 THR C C 13 171.4 0.3 . 1 . . . . 35 THR C . 15995 1 28 . 1 1 5 5 THR CA C 13 59.5 0.3 . 1 . . . . 35 THR CA . 15995 1 29 . 1 1 5 5 THR CB C 13 67.2 0.3 . 1 . . . . 35 THR CB . 15995 1 30 . 1 1 5 5 THR CG2 C 13 19.0 0.3 . 1 . . . . 35 THR CG2 . 15995 1 31 . 1 1 5 5 THR N N 15 115.6 0.3 . 1 . . . . 35 THR N . 15995 1 32 . 1 1 6 6 ILE H H 1 7.85 0.02 . 1 . . . . 36 ILE H . 15995 1 33 . 1 1 6 6 ILE HA H 1 4.26 0.02 . 1 . . . . 36 ILE HA . 15995 1 34 . 1 1 6 6 ILE HB H 1 1.74 0.02 . 1 . . . . 36 ILE HB . 15995 1 35 . 1 1 6 6 ILE HD11 H 1 0.78 0.02 . 1 . . . . 36 ILE HD1 . 15995 1 36 . 1 1 6 6 ILE HD12 H 1 0.78 0.02 . 1 . . . . 36 ILE HD1 . 15995 1 37 . 1 1 6 6 ILE HD13 H 1 0.78 0.02 . 1 . . . . 36 ILE HD1 . 15995 1 38 . 1 1 6 6 ILE HG12 H 1 1.13 0.02 . 2 . . . . 36 ILE HG12 . 15995 1 39 . 1 1 6 6 ILE HG13 H 1 1.48 0.02 . 2 . . . . 36 ILE HG13 . 15995 1 40 . 1 1 6 6 ILE HG21 H 1 0.77 0.02 . 1 . . . . 36 ILE HG2 . 15995 1 41 . 1 1 6 6 ILE HG22 H 1 0.77 0.02 . 1 . . . . 36 ILE HG2 . 15995 1 42 . 1 1 6 6 ILE HG23 H 1 0.77 0.02 . 1 . . . . 36 ILE HG2 . 15995 1 43 . 1 1 6 6 ILE C C 13 171.9 0.3 . 1 . . . . 36 ILE C . 15995 1 44 . 1 1 6 6 ILE CA C 13 58.2 0.3 . 1 . . . . 36 ILE CA . 15995 1 45 . 1 1 6 6 ILE CB C 13 36.5 0.3 . 1 . . . . 36 ILE CB . 15995 1 46 . 1 1 6 6 ILE CD1 C 13 10.7 0.3 . 1 . . . . 36 ILE CD1 . 15995 1 47 . 1 1 6 6 ILE CG1 C 13 25.1 0.3 . 1 . . . . 36 ILE CG1 . 15995 1 48 . 1 1 6 6 ILE CG2 C 13 14.8 0.3 . 1 . . . . 36 ILE CG2 . 15995 1 49 . 1 1 6 6 ILE N N 15 122.0 0.3 . 1 . . . . 36 ILE N . 15995 1 50 . 1 1 7 7 THR H H 1 7.68 0.02 . 1 . . . . 37 THR H . 15995 1 51 . 1 1 7 7 THR HA H 1 4.57 0.02 . 1 . . . . 37 THR HA . 15995 1 52 . 1 1 7 7 THR HB H 1 4.48 0.02 . 1 . . . . 37 THR HB . 15995 1 53 . 1 1 7 7 THR HG21 H 1 1.17 0.02 . 1 . . . . 37 THR HG2 . 15995 1 54 . 1 1 7 7 THR HG22 H 1 1.17 0.02 . 1 . . . . 37 THR HG2 . 15995 1 55 . 1 1 7 7 THR HG23 H 1 1.17 0.02 . 1 . . . . 37 THR HG2 . 15995 1 56 . 1 1 7 7 THR C C 13 172.8 0.3 . 1 . . . . 37 THR C . 15995 1 57 . 1 1 7 7 THR CA C 13 57.4 0.3 . 1 . . . . 37 THR CA . 15995 1 58 . 1 1 7 7 THR CB C 13 68.7 0.3 . 1 . . . . 37 THR CB . 15995 1 59 . 1 1 7 7 THR CG2 C 13 19.2 0.3 . 1 . . . . 37 THR CG2 . 15995 1 60 . 1 1 7 7 THR N N 15 114.7 0.3 . 1 . . . . 37 THR N . 15995 1 61 . 1 1 8 8 PHE H H 1 8.83 0.02 . 1 . . . . 38 PHE H . 15995 1 62 . 1 1 8 8 PHE HA H 1 4.25 0.02 . 1 . . . . 38 PHE HA . 15995 1 63 . 1 1 8 8 PHE HB3 H 1 3.12 0.02 . 1 . . . . 38 PHE HB3 . 15995 1 64 . 1 1 8 8 PHE HD1 H 1 7.18 0.02 . 1 . . . . 38 PHE HD1 . 15995 1 65 . 1 1 8 8 PHE HE1 H 1 7.20 0.02 . 1 . . . . 38 PHE HE1 . 15995 1 66 . 1 1 8 8 PHE HZ H 1 7.18 0.02 . 1 . . . . 38 PHE HZ . 15995 1 67 . 1 1 8 8 PHE C C 13 174.7 0.3 . 1 . . . . 38 PHE C . 15995 1 68 . 1 1 8 8 PHE CA C 13 58.4 0.3 . 1 . . . . 38 PHE CA . 15995 1 69 . 1 1 8 8 PHE CB C 13 36.0 0.3 . 1 . . . . 38 PHE CB . 15995 1 70 . 1 1 8 8 PHE CD1 C 13 129.6 0.3 . 1 . . . . 38 PHE CD1 . 15995 1 71 . 1 1 8 8 PHE CE1 C 13 128.3 0.3 . 1 . . . . 38 PHE CE1 . 15995 1 72 . 1 1 8 8 PHE CZ C 13 127.0 0.3 . 1 . . . . 38 PHE CZ . 15995 1 73 . 1 1 8 8 PHE N N 15 120.9 0.3 . 1 . . . . 38 PHE N . 15995 1 74 . 1 1 9 9 ASP H H 1 8.40 0.02 . 1 . . . . 39 ASP H . 15995 1 75 . 1 1 9 9 ASP HA H 1 4.28 0.02 . 1 . . . . 39 ASP HA . 15995 1 76 . 1 1 9 9 ASP HB2 H 1 2.59 0.02 . 1 . . . . 39 ASP HB2 . 15995 1 77 . 1 1 9 9 ASP C C 13 176.1 0.3 . 1 . . . . 39 ASP C . 15995 1 78 . 1 1 9 9 ASP CA C 13 54.5 0.3 . 1 . . . . 39 ASP CA . 15995 1 79 . 1 1 9 9 ASP CB C 13 37.8 0.3 . 1 . . . . 39 ASP CB . 15995 1 80 . 1 1 9 9 ASP N N 15 117.4 0.3 . 1 . . . . 39 ASP N . 15995 1 81 . 1 1 10 10 GLU H H 1 7.74 0.02 . 1 . . . . 40 GLU H . 15995 1 82 . 1 1 10 10 GLU HA H 1 4.09 0.02 . 1 . . . . 40 GLU HA . 15995 1 83 . 1 1 10 10 GLU HB2 H 1 2.01 0.02 . 2 . . . . 40 GLU HB2 . 15995 1 84 . 1 1 10 10 GLU HB3 H 1 2.16 0.02 . 2 . . . . 40 GLU HB3 . 15995 1 85 . 1 1 10 10 GLU HG2 H 1 2.30 0.02 . 1 . . . . 40 GLU HG2 . 15995 1 86 . 1 1 10 10 GLU C C 13 176.1 0.3 . 1 . . . . 40 GLU C . 15995 1 87 . 1 1 10 10 GLU CA C 13 55.7 0.3 . 1 . . . . 40 GLU CA . 15995 1 88 . 1 1 10 10 GLU CB C 13 26.8 0.3 . 1 . . . . 40 GLU CB . 15995 1 89 . 1 1 10 10 GLU CG C 13 33.2 0.3 . 1 . . . . 40 GLU CG . 15995 1 90 . 1 1 10 10 GLU N N 15 118.8 0.3 . 1 . . . . 40 GLU N . 15995 1 91 . 1 1 11 11 LEU H H 1 7.77 0.02 . 1 . . . . 41 LEU H . 15995 1 92 . 1 1 11 11 LEU HA H 1 4.04 0.02 . 1 . . . . 41 LEU HA . 15995 1 93 . 1 1 11 11 LEU HB2 H 1 1.56 0.02 . 2 . . . . 41 LEU HB2 . 15995 1 94 . 1 1 11 11 LEU HB3 H 1 1.70 0.02 . 2 . . . . 41 LEU HB3 . 15995 1 95 . 1 1 11 11 LEU HD11 H 1 0.80 0.02 . 1 . . . . 41 LEU HD1 . 15995 1 96 . 1 1 11 11 LEU HD12 H 1 0.80 0.02 . 1 . . . . 41 LEU HD1 . 15995 1 97 . 1 1 11 11 LEU HD13 H 1 0.80 0.02 . 1 . . . . 41 LEU HD1 . 15995 1 98 . 1 1 11 11 LEU HD21 H 1 0.83 0.02 . 1 . . . . 41 LEU HD2 . 15995 1 99 . 1 1 11 11 LEU HD22 H 1 0.83 0.02 . 1 . . . . 41 LEU HD2 . 15995 1 100 . 1 1 11 11 LEU HD23 H 1 0.83 0.02 . 1 . . . . 41 LEU HD2 . 15995 1 101 . 1 1 11 11 LEU HG H 1 1.61 0.02 . 1 . . . . 41 LEU HG . 15995 1 102 . 1 1 11 11 LEU C C 13 175.5 0.3 . 1 . . . . 41 LEU C . 15995 1 103 . 1 1 11 11 LEU CA C 13 54.6 0.3 . 1 . . . . 41 LEU CA . 15995 1 104 . 1 1 11 11 LEU CB C 13 39.2 0.3 . 1 . . . . 41 LEU CB . 15995 1 105 . 1 1 11 11 LEU CD1 C 13 21.4 0.3 . 1 . . . . 41 LEU CD1 . 15995 1 106 . 1 1 11 11 LEU CD2 C 13 22.4 0.3 . 1 . . . . 41 LEU CD2 . 15995 1 107 . 1 1 11 11 LEU CG C 13 24.4 0.3 . 1 . . . . 41 LEU CG . 15995 1 108 . 1 1 11 11 LEU N N 15 119.5 0.3 . 1 . . . . 41 LEU N . 15995 1 109 . 1 1 12 12 GLN H H 1 8.07 0.02 . 1 . . . . 42 GLN H . 15995 1 110 . 1 1 12 12 GLN HA H 1 3.77 0.02 . 1 . . . . 42 GLN HA . 15995 1 111 . 1 1 12 12 GLN HB3 H 1 1.96 0.02 . 1 . . . . 42 GLN HB3 . 15995 1 112 . 1 1 12 12 GLN HG2 H 1 2.17 0.02 . 2 . . . . 42 GLN HG2 . 15995 1 113 . 1 1 12 12 GLN HG3 H 1 2.25 0.02 . 2 . . . . 42 GLN HG3 . 15995 1 114 . 1 1 12 12 GLN C C 13 175.4 0.3 . 1 . . . . 42 GLN C . 15995 1 115 . 1 1 12 12 GLN CA C 13 56.5 0.3 . 1 . . . . 42 GLN CA . 15995 1 116 . 1 1 12 12 GLN CB C 13 25.8 0.3 . 1 . . . . 42 GLN CB . 15995 1 117 . 1 1 12 12 GLN CG C 13 31.5 0.3 . 1 . . . . 42 GLN CG . 15995 1 118 . 1 1 12 12 GLN N N 15 116.8 0.3 . 1 . . . . 42 GLN N . 15995 1 119 . 1 1 13 13 GLY H H 1 7.81 0.02 . 1 . . . . 43 GLY H . 15995 1 120 . 1 1 13 13 GLY HA2 H 1 3.85 0.02 . 2 . . . . 43 GLY HA2 . 15995 1 121 . 1 1 13 13 GLY HA3 H 1 3.91 0.02 . 2 . . . . 43 GLY HA3 . 15995 1 122 . 1 1 13 13 GLY C C 13 173.0 0.3 . 1 . . . . 43 GLY C . 15995 1 123 . 1 1 13 13 GLY CA C 13 43.8 0.3 . 1 . . . . 43 GLY CA . 15995 1 124 . 1 1 13 13 GLY N N 15 105.4 0.3 . 1 . . . . 43 GLY N . 15995 1 125 . 1 1 14 14 LEU H H 1 7.65 0.02 . 1 . . . . 44 LEU H . 15995 1 126 . 1 1 14 14 LEU HA H 1 4.21 0.02 . 1 . . . . 44 LEU HA . 15995 1 127 . 1 1 14 14 LEU HB2 H 1 1.60 0.02 . 2 . . . . 44 LEU HB2 . 15995 1 128 . 1 1 14 14 LEU HB3 H 1 1.84 0.02 . 2 . . . . 44 LEU HB3 . 15995 1 129 . 1 1 14 14 LEU HD11 H 1 0.83 0.02 . 1 . . . . 44 LEU HD1 . 15995 1 130 . 1 1 14 14 LEU HD12 H 1 0.83 0.02 . 1 . . . . 44 LEU HD1 . 15995 1 131 . 1 1 14 14 LEU HD13 H 1 0.83 0.02 . 1 . . . . 44 LEU HD1 . 15995 1 132 . 1 1 14 14 LEU HD21 H 1 0.87 0.02 . 1 . . . . 44 LEU HD2 . 15995 1 133 . 1 1 14 14 LEU HD22 H 1 0.87 0.02 . 1 . . . . 44 LEU HD2 . 15995 1 134 . 1 1 14 14 LEU HD23 H 1 0.87 0.02 . 1 . . . . 44 LEU HD2 . 15995 1 135 . 1 1 14 14 LEU HG H 1 1.74 0.02 . 1 . . . . 44 LEU HG . 15995 1 136 . 1 1 14 14 LEU C C 13 176.0 0.3 . 1 . . . . 44 LEU C . 15995 1 137 . 1 1 14 14 LEU CA C 13 54.2 0.3 . 1 . . . . 44 LEU CA . 15995 1 138 . 1 1 14 14 LEU CB C 13 40.0 0.3 . 1 . . . . 44 LEU CB . 15995 1 139 . 1 1 14 14 LEU CD1 C 13 21.2 0.3 . 1 . . . . 44 LEU CD1 . 15995 1 140 . 1 1 14 14 LEU CD2 C 13 22.5 0.3 . 1 . . . . 44 LEU CD2 . 15995 1 141 . 1 1 14 14 LEU CG C 13 24.3 0.3 . 1 . . . . 44 LEU CG . 15995 1 142 . 1 1 14 14 LEU N N 15 120.9 0.3 . 1 . . . . 44 LEU N . 15995 1 143 . 1 1 15 15 VAL H H 1 7.76 0.02 . 1 . . . . 45 VAL H . 15995 1 144 . 1 1 15 15 VAL HA H 1 3.74 0.02 . 1 . . . . 45 VAL HA . 15995 1 145 . 1 1 15 15 VAL HB H 1 2.13 0.02 . 1 . . . . 45 VAL HB . 15995 1 146 . 1 1 15 15 VAL HG11 H 1 0.88 0.02 . 1 . . . . 45 VAL HG1 . 15995 1 147 . 1 1 15 15 VAL HG12 H 1 0.88 0.02 . 1 . . . . 45 VAL HG1 . 15995 1 148 . 1 1 15 15 VAL HG13 H 1 0.88 0.02 . 1 . . . . 45 VAL HG1 . 15995 1 149 . 1 1 15 15 VAL HG21 H 1 0.93 0.02 . 1 . . . . 45 VAL HG2 . 15995 1 150 . 1 1 15 15 VAL HG22 H 1 0.93 0.02 . 1 . . . . 45 VAL HG2 . 15995 1 151 . 1 1 15 15 VAL HG23 H 1 0.93 0.02 . 1 . . . . 45 VAL HG2 . 15995 1 152 . 1 1 15 15 VAL C C 13 173.1 0.3 . 1 . . . . 45 VAL C . 15995 1 153 . 1 1 15 15 VAL CA C 13 61.8 0.3 . 1 . . . . 45 VAL CA . 15995 1 154 . 1 1 15 15 VAL CB C 13 29.1 0.3 . 1 . . . . 45 VAL CB . 15995 1 155 . 1 1 15 15 VAL CG1 C 13 19.0 0.3 . 1 . . . . 45 VAL CG1 . 15995 1 156 . 1 1 15 15 VAL CG2 C 13 19.2 0.3 . 1 . . . . 45 VAL CG2 . 15995 1 157 . 1 1 15 15 VAL N N 15 117.2 0.3 . 1 . . . . 45 VAL N . 15995 1 158 . 1 1 16 16 ASN H H 1 7.82 0.02 . 1 . . . . 46 ASN H . 15995 1 159 . 1 1 16 16 ASN HA H 1 4.60 0.02 . 1 . . . . 46 ASN HA . 15995 1 160 . 1 1 16 16 ASN HB2 H 1 2.82 0.02 . 1 . . . . 46 ASN HB2 . 15995 1 161 . 1 1 16 16 ASN CA C 13 51.4 0.3 . 1 . . . . 46 ASN CA . 15995 1 162 . 1 1 16 16 ASN CB C 13 36.0 0.3 . 1 . . . . 46 ASN CB . 15995 1 163 . 1 1 16 16 ASN N N 15 118.4 0.3 . 1 . . . . 46 ASN N . 15995 1 164 . 1 1 17 17 SER H H 1 8.16 0.02 . 1 . . . . 47 SER H . 15995 1 165 . 1 1 17 17 SER HA H 1 4.38 0.02 . 1 . . . . 47 SER HA . 15995 1 166 . 1 1 17 17 SER HB2 H 1 3.97 0.02 . 2 . . . . 47 SER HB2 . 15995 1 167 . 1 1 17 17 SER HB3 H 1 4.03 0.02 . 2 . . . . 47 SER HB3 . 15995 1 168 . 1 1 17 17 SER CA C 13 57.9 0.3 . 1 . . . . 47 SER CA . 15995 1 169 . 1 1 17 17 SER CB C 13 61.0 0.3 . 1 . . . . 47 SER CB . 15995 1 170 . 1 1 18 18 THR H H 1 8.13 0.02 . 1 . . . . 48 THR H . 15995 1 171 . 1 1 18 18 THR HA H 1 3.99 0.02 . 1 . . . . 48 THR HA . 15995 1 172 . 1 1 18 18 THR HB H 1 4.18 0.02 . 1 . . . . 48 THR HB . 15995 1 173 . 1 1 18 18 THR HG21 H 1 1.20 0.02 . 1 . . . . 48 THR HG2 . 15995 1 174 . 1 1 18 18 THR HG22 H 1 1.20 0.02 . 1 . . . . 48 THR HG2 . 15995 1 175 . 1 1 18 18 THR HG23 H 1 1.20 0.02 . 1 . . . . 48 THR HG2 . 15995 1 176 . 1 1 18 18 THR C C 13 173.8 0.3 . 1 . . . . 48 THR C . 15995 1 177 . 1 1 18 18 THR CA C 13 63.5 0.3 . 1 . . . . 48 THR CA . 15995 1 178 . 1 1 18 18 THR CB C 13 66.0 0.3 . 1 . . . . 48 THR CB . 15995 1 179 . 1 1 18 18 THR CG2 C 13 19.4 0.3 . 1 . . . . 48 THR CG2 . 15995 1 180 . 1 1 18 18 THR N N 15 118.3 0.3 . 1 . . . . 48 THR N . 15995 1 181 . 1 1 19 19 VAL H H 1 8.10 0.02 . 1 . . . . 49 VAL H . 15995 1 182 . 1 1 19 19 VAL HA H 1 3.64 0.02 . 1 . . . . 49 VAL HA . 15995 1 183 . 1 1 19 19 VAL HB H 1 2.17 0.02 . 1 . . . . 49 VAL HB . 15995 1 184 . 1 1 19 19 VAL HG11 H 1 0.93 0.02 . 1 . . . . 49 VAL HG1 . 15995 1 185 . 1 1 19 19 VAL HG12 H 1 0.93 0.02 . 1 . . . . 49 VAL HG1 . 15995 1 186 . 1 1 19 19 VAL HG13 H 1 0.93 0.02 . 1 . . . . 49 VAL HG1 . 15995 1 187 . 1 1 19 19 VAL HG21 H 1 1.04 0.02 . 1 . . . . 49 VAL HG2 . 15995 1 188 . 1 1 19 19 VAL HG22 H 1 1.04 0.02 . 1 . . . . 49 VAL HG2 . 15995 1 189 . 1 1 19 19 VAL HG23 H 1 1.04 0.02 . 1 . . . . 49 VAL HG2 . 15995 1 190 . 1 1 19 19 VAL C C 13 174.7 0.3 . 1 . . . . 49 VAL C . 15995 1 191 . 1 1 19 19 VAL CA C 13 64.0 0.3 . 1 . . . . 49 VAL CA . 15995 1 192 . 1 1 19 19 VAL CB C 13 29.0 0.3 . 1 . . . . 49 VAL CB . 15995 1 193 . 1 1 19 19 VAL CG1 C 13 19.0 0.3 . 1 . . . . 49 VAL CG1 . 15995 1 194 . 1 1 19 19 VAL CG2 C 13 20.3 0.3 . 1 . . . . 49 VAL CG2 . 15995 1 195 . 1 1 19 19 VAL N N 15 120.8 0.3 . 1 . . . . 49 VAL N . 15995 1 196 . 1 1 20 20 THR H H 1 7.83 0.02 . 1 . . . . 50 THR H . 15995 1 197 . 1 1 20 20 THR HA H 1 3.74 0.02 . 1 . . . . 50 THR HA . 15995 1 198 . 1 1 20 20 THR HB H 1 4.23 0.02 . 1 . . . . 50 THR HB . 15995 1 199 . 1 1 20 20 THR HG21 H 1 1.19 0.02 . 1 . . . . 50 THR HG2 . 15995 1 200 . 1 1 20 20 THR HG22 H 1 1.19 0.02 . 1 . . . . 50 THR HG2 . 15995 1 201 . 1 1 20 20 THR HG23 H 1 1.19 0.02 . 1 . . . . 50 THR HG2 . 15995 1 202 . 1 1 20 20 THR C C 13 173.8 0.3 . 1 . . . . 50 THR C . 15995 1 203 . 1 1 20 20 THR CA C 13 64.4 0.3 . 1 . . . . 50 THR CA . 15995 1 204 . 1 1 20 20 THR CB C 13 65.5 0.3 . 1 . . . . 50 THR CB . 15995 1 205 . 1 1 20 20 THR CG2 C 13 19.8 0.3 . 1 . . . . 50 THR CG2 . 15995 1 206 . 1 1 20 20 THR N N 15 114.0 0.3 . 1 . . . . 50 THR N . 15995 1 207 . 1 1 21 21 GLN H H 1 7.92 0.02 . 1 . . . . 51 GLN H . 15995 1 208 . 1 1 21 21 GLN HA H 1 3.97 0.02 . 1 . . . . 51 GLN HA . 15995 1 209 . 1 1 21 21 GLN HB3 H 1 2.14 0.02 . 1 . . . . 51 GLN HB3 . 15995 1 210 . 1 1 21 21 GLN HG2 H 1 2.43 0.02 . 1 . . . . 51 GLN HG2 . 15995 1 211 . 1 1 21 21 GLN C C 13 175.9 0.3 . 1 . . . . 51 GLN C . 15995 1 212 . 1 1 21 21 GLN CA C 13 56.3 0.3 . 1 . . . . 51 GLN CA . 15995 1 213 . 1 1 21 21 GLN CB C 13 25.7 0.3 . 1 . . . . 51 GLN CB . 15995 1 214 . 1 1 21 21 GLN CG C 13 31.6 0.3 . 1 . . . . 51 GLN CG . 15995 1 215 . 1 1 21 21 GLN N N 15 118.4 0.3 . 1 . . . . 51 GLN N . 15995 1 216 . 1 1 22 22 ALA H H 1 7.96 0.02 . 1 . . . . 52 ALA H . 15995 1 217 . 1 1 22 22 ALA HA H 1 4.16 0.02 . 1 . . . . 52 ALA HA . 15995 1 218 . 1 1 22 22 ALA HB1 H 1 1.53 0.02 . 1 . . . . 52 ALA HB . 15995 1 219 . 1 1 22 22 ALA HB2 H 1 1.53 0.02 . 1 . . . . 52 ALA HB . 15995 1 220 . 1 1 22 22 ALA HB3 H 1 1.53 0.02 . 1 . . . . 52 ALA HB . 15995 1 221 . 1 1 22 22 ALA C C 13 176.8 0.3 . 1 . . . . 52 ALA C . 15995 1 222 . 1 1 22 22 ALA CA C 13 52.8 0.3 . 1 . . . . 52 ALA CA . 15995 1 223 . 1 1 22 22 ALA CB C 13 15.7 0.3 . 1 . . . . 52 ALA CB . 15995 1 224 . 1 1 22 22 ALA N N 15 122.2 0.3 . 1 . . . . 52 ALA N . 15995 1 225 . 1 1 23 23 ILE H H 1 8.10 0.02 . 1 . . . . 53 ILE H . 15995 1 226 . 1 1 23 23 ILE HA H 1 3.66 0.02 . 1 . . . . 53 ILE HA . 15995 1 227 . 1 1 23 23 ILE HB H 1 2.01 0.02 . 1 . . . . 53 ILE HB . 15995 1 228 . 1 1 23 23 ILE HD11 H 1 0.80 0.02 . 1 . . . . 53 ILE HD1 . 15995 1 229 . 1 1 23 23 ILE HD12 H 1 0.80 0.02 . 1 . . . . 53 ILE HD1 . 15995 1 230 . 1 1 23 23 ILE HD13 H 1 0.80 0.02 . 1 . . . . 53 ILE HD1 . 15995 1 231 . 1 1 23 23 ILE HG12 H 1 1.06 0.02 . 2 . . . . 53 ILE HG12 . 15995 1 232 . 1 1 23 23 ILE HG13 H 1 1.87 0.02 . 2 . . . . 53 ILE HG13 . 15995 1 233 . 1 1 23 23 ILE HG21 H 1 0.85 0.02 . 1 . . . . 53 ILE HG2 . 15995 1 234 . 1 1 23 23 ILE HG22 H 1 0.85 0.02 . 1 . . . . 53 ILE HG2 . 15995 1 235 . 1 1 23 23 ILE HG23 H 1 0.85 0.02 . 1 . . . . 53 ILE HG2 . 15995 1 236 . 1 1 23 23 ILE C C 13 175.3 0.3 . 1 . . . . 53 ILE C . 15995 1 237 . 1 1 23 23 ILE CA C 13 62.7 0.3 . 1 . . . . 53 ILE CA . 15995 1 238 . 1 1 23 23 ILE CB C 13 35.1 0.3 . 1 . . . . 53 ILE CB . 15995 1 239 . 1 1 23 23 ILE CD1 C 13 11.0 0.3 . 1 . . . . 53 ILE CD1 . 15995 1 240 . 1 1 23 23 ILE CG1 C 13 26.7 0.3 . 1 . . . . 53 ILE CG1 . 15995 1 241 . 1 1 23 23 ILE CG2 C 13 14.7 0.3 . 1 . . . . 53 ILE CG2 . 15995 1 242 . 1 1 23 23 ILE N N 15 117.5 0.3 . 1 . . . . 53 ILE N . 15995 1 243 . 1 1 24 24 LEU H H 1 8.16 0.02 . 1 . . . . 54 LEU H . 15995 1 244 . 1 1 24 24 LEU HA H 1 3.97 0.02 . 1 . . . . 54 LEU HA . 15995 1 245 . 1 1 24 24 LEU HB2 H 1 1.52 0.02 . 2 . . . . 54 LEU HB2 . 15995 1 246 . 1 1 24 24 LEU HB3 H 1 1.82 0.02 . 2 . . . . 54 LEU HB3 . 15995 1 247 . 1 1 24 24 LEU HD11 H 1 0.82 0.02 . 1 . . . . 54 LEU HD1 . 15995 1 248 . 1 1 24 24 LEU HD12 H 1 0.82 0.02 . 1 . . . . 54 LEU HD1 . 15995 1 249 . 1 1 24 24 LEU HD13 H 1 0.82 0.02 . 1 . . . . 54 LEU HD1 . 15995 1 250 . 1 1 24 24 LEU HD21 H 1 0.85 0.02 . 1 . . . . 54 LEU HD2 . 15995 1 251 . 1 1 24 24 LEU HD22 H 1 0.85 0.02 . 1 . . . . 54 LEU HD2 . 15995 1 252 . 1 1 24 24 LEU HD23 H 1 0.85 0.02 . 1 . . . . 54 LEU HD2 . 15995 1 253 . 1 1 24 24 LEU HG H 1 1.78 0.02 . 1 . . . . 54 LEU HG . 15995 1 254 . 1 1 24 24 LEU C C 13 176.6 0.3 . 1 . . . . 54 LEU C . 15995 1 255 . 1 1 24 24 LEU CA C 13 55.5 0.3 . 1 . . . . 54 LEU CA . 15995 1 256 . 1 1 24 24 LEU CB C 13 38.7 0.3 . 1 . . . . 54 LEU CB . 15995 1 257 . 1 1 24 24 LEU CD1 C 13 20.4 0.3 . 1 . . . . 54 LEU CD1 . 15995 1 258 . 1 1 24 24 LEU CD2 C 13 22.3 0.3 . 1 . . . . 54 LEU CD2 . 15995 1 259 . 1 1 24 24 LEU CG C 13 24.4 0.3 . 1 . . . . 54 LEU CG . 15995 1 260 . 1 1 24 24 LEU N N 15 118.9 0.3 . 1 . . . . 54 LEU N . 15995 1 261 . 1 1 25 25 PHE H H 1 8.20 0.02 . 1 . . . . 55 PHE H . 15995 1 262 . 1 1 25 25 PHE HA H 1 4.24 0.02 . 1 . . . . 55 PHE HA . 15995 1 263 . 1 1 25 25 PHE HB3 H 1 3.26 0.02 . 1 . . . . 55 PHE HB3 . 15995 1 264 . 1 1 25 25 PHE HD1 H 1 7.16 0.02 . 1 . . . . 55 PHE HD1 . 15995 1 265 . 1 1 25 25 PHE HE1 H 1 7.18 0.02 . 1 . . . . 55 PHE HE1 . 15995 1 266 . 1 1 25 25 PHE HZ H 1 7.13 0.02 . 1 . . . . 55 PHE HZ . 15995 1 267 . 1 1 25 25 PHE C C 13 176.3 0.3 . 1 . . . . 55 PHE C . 15995 1 268 . 1 1 25 25 PHE CA C 13 58.5 0.3 . 1 . . . . 55 PHE CA . 15995 1 269 . 1 1 25 25 PHE CB C 13 36.3 0.3 . 1 . . . . 55 PHE CB . 15995 1 270 . 1 1 25 25 PHE CD1 C 13 129.2 0.3 . 1 . . . . 55 PHE CD1 . 15995 1 271 . 1 1 25 25 PHE CE1 C 13 128.5 0.3 . 1 . . . . 55 PHE CE1 . 15995 1 272 . 1 1 25 25 PHE CZ C 13 127.0 0.3 . 1 . . . . 55 PHE CZ . 15995 1 273 . 1 1 25 25 PHE N N 15 119.1 0.3 . 1 . . . . 55 PHE N . 15995 1 274 . 1 1 26 26 GLY H H 1 8.57 0.02 . 1 . . . . 56 GLY H . 15995 1 275 . 1 1 26 26 GLY HA2 H 1 3.58 0.02 . 2 . . . . 56 GLY HA2 . 15995 1 276 . 1 1 26 26 GLY HA3 H 1 3.67 0.02 . 2 . . . . 56 GLY HA3 . 15995 1 277 . 1 1 26 26 GLY C C 13 172.2 0.3 . 1 . . . . 56 GLY C . 15995 1 278 . 1 1 26 26 GLY CA C 13 44.9 0.3 . 1 . . . . 56 GLY CA . 15995 1 279 . 1 1 26 26 GLY N N 15 108.9 0.3 . 1 . . . . 56 GLY N . 15995 1 280 . 1 1 27 27 VAL H H 1 8.55 0.02 . 1 . . . . 57 VAL H . 15995 1 281 . 1 1 27 27 VAL HA H 1 3.64 0.02 . 1 . . . . 57 VAL HA . 15995 1 282 . 1 1 27 27 VAL HB H 1 2.17 0.02 . 1 . . . . 57 VAL HB . 15995 1 283 . 1 1 27 27 VAL HG11 H 1 0.92 0.02 . 1 . . . . 57 VAL HG1 . 15995 1 284 . 1 1 27 27 VAL HG12 H 1 0.92 0.02 . 1 . . . . 57 VAL HG1 . 15995 1 285 . 1 1 27 27 VAL HG13 H 1 0.92 0.02 . 1 . . . . 57 VAL HG1 . 15995 1 286 . 1 1 27 27 VAL HG21 H 1 1.04 0.02 . 1 . . . . 57 VAL HG2 . 15995 1 287 . 1 1 27 27 VAL HG22 H 1 1.04 0.02 . 1 . . . . 57 VAL HG2 . 15995 1 288 . 1 1 27 27 VAL HG23 H 1 1.04 0.02 . 1 . . . . 57 VAL HG2 . 15995 1 289 . 1 1 27 27 VAL C C 13 175.0 0.3 . 1 . . . . 57 VAL C . 15995 1 290 . 1 1 27 27 VAL CA C 13 63.8 0.3 . 1 . . . . 57 VAL CA . 15995 1 291 . 1 1 27 27 VAL CB C 13 29.0 0.3 . 1 . . . . 57 VAL CB . 15995 1 292 . 1 1 27 27 VAL CG1 C 13 18.9 0.3 . 1 . . . . 57 VAL CG1 . 15995 1 293 . 1 1 27 27 VAL CG2 C 13 20.1 0.3 . 1 . . . . 57 VAL CG2 . 15995 1 294 . 1 1 27 27 VAL N N 15 120.0 0.3 . 1 . . . . 57 VAL N . 15995 1 295 . 1 1 28 28 ARG H H 1 8.03 0.02 . 1 . . . . 58 ARG H . 15995 1 296 . 1 1 28 28 ARG HA H 1 4.02 0.02 . 1 . . . . 58 ARG HA . 15995 1 297 . 1 1 28 28 ARG HB3 H 1 1.85 0.02 . 1 . . . . 58 ARG HB3 . 15995 1 298 . 1 1 28 28 ARG HD2 H 1 3.14 0.02 . 1 . . . . 58 ARG HD2 . 15995 1 299 . 1 1 28 28 ARG HG2 H 1 1.61 0.02 . 2 . . . . 58 ARG HG2 . 15995 1 300 . 1 1 28 28 ARG HG3 H 1 1.77 0.02 . 2 . . . . 58 ARG HG3 . 15995 1 301 . 1 1 28 28 ARG C C 13 176.7 0.3 . 1 . . . . 58 ARG C . 15995 1 302 . 1 1 28 28 ARG CA C 13 56.7 0.3 . 1 . . . . 58 ARG CA . 15995 1 303 . 1 1 28 28 ARG CB C 13 27.6 0.3 . 1 . . . . 58 ARG CB . 15995 1 304 . 1 1 28 28 ARG CD C 13 41.0 0.3 . 1 . . . . 58 ARG CD . 15995 1 305 . 1 1 28 28 ARG CG C 13 25.2 0.3 . 1 . . . . 58 ARG CG . 15995 1 306 . 1 1 28 28 ARG N N 15 118.3 0.3 . 1 . . . . 58 ARG N . 15995 1 307 . 1 1 29 29 SER H H 1 8.02 0.02 . 1 . . . . 59 SER H . 15995 1 308 . 1 1 29 29 SER HA H 1 4.28 0.02 . 1 . . . . 59 SER HA . 15995 1 309 . 1 1 29 29 SER HB2 H 1 3.62 0.02 . 1 . . . . 59 SER HB2 . 15995 1 310 . 1 1 29 29 SER C C 13 173.3 0.3 . 1 . . . . 59 SER C . 15995 1 311 . 1 1 29 29 SER CA C 13 58.2 0.3 . 1 . . . . 59 SER CA . 15995 1 312 . 1 1 29 29 SER CB C 13 60.7 0.3 . 1 . . . . 59 SER CB . 15995 1 313 . 1 1 29 29 SER N N 15 114.7 0.3 . 1 . . . . 59 SER N . 15995 1 314 . 1 1 30 30 GLY H H 1 8.31 0.02 . 1 . . . . 60 GLY H . 15995 1 315 . 1 1 30 30 GLY HA2 H 1 3.63 0.02 . 2 . . . . 60 GLY HA2 . 15995 1 316 . 1 1 30 30 GLY HA3 H 1 3.75 0.02 . 2 . . . . 60 GLY HA3 . 15995 1 317 . 1 1 30 30 GLY C C 13 171.9 0.3 . 1 . . . . 60 GLY C . 15995 1 318 . 1 1 30 30 GLY CA C 13 44.5 0.3 . 1 . . . . 60 GLY CA . 15995 1 319 . 1 1 30 30 GLY N N 15 109.7 0.3 . 1 . . . . 60 GLY N . 15995 1 320 . 1 1 31 31 ALA H H 1 8.33 0.02 . 1 . . . . 61 ALA H . 15995 1 321 . 1 1 31 31 ALA HA H 1 3.97 0.02 . 1 . . . . 61 ALA HA . 15995 1 322 . 1 1 31 31 ALA HB1 H 1 1.45 0.02 . 1 . . . . 61 ALA HB . 15995 1 323 . 1 1 31 31 ALA HB2 H 1 1.45 0.02 . 1 . . . . 61 ALA HB . 15995 1 324 . 1 1 31 31 ALA HB3 H 1 1.45 0.02 . 1 . . . . 61 ALA HB . 15995 1 325 . 1 1 31 31 ALA C C 13 177.2 0.3 . 1 . . . . 61 ALA C . 15995 1 326 . 1 1 31 31 ALA CA C 13 52.9 0.3 . 1 . . . . 61 ALA CA . 15995 1 327 . 1 1 31 31 ALA CB C 13 15.5 0.3 . 1 . . . . 61 ALA CB . 15995 1 328 . 1 1 31 31 ALA N N 15 122.7 0.3 . 1 . . . . 61 ALA N . 15995 1 329 . 1 1 32 32 ALA H H 1 7.86 0.02 . 1 . . . . 62 ALA H . 15995 1 330 . 1 1 32 32 ALA HA H 1 4.12 0.02 . 1 . . . . 62 ALA HA . 15995 1 331 . 1 1 32 32 ALA HB1 H 1 1.48 0.02 . 1 . . . . 62 ALA HB . 15995 1 332 . 1 1 32 32 ALA HB2 H 1 1.48 0.02 . 1 . . . . 62 ALA HB . 15995 1 333 . 1 1 32 32 ALA HB3 H 1 1.48 0.02 . 1 . . . . 62 ALA HB . 15995 1 334 . 1 1 32 32 ALA C C 13 177.4 0.3 . 1 . . . . 62 ALA C . 15995 1 335 . 1 1 32 32 ALA CA C 13 52.2 0.3 . 1 . . . . 62 ALA CA . 15995 1 336 . 1 1 32 32 ALA CB C 13 15.6 0.3 . 1 . . . . 62 ALA CB . 15995 1 337 . 1 1 32 32 ALA N N 15 120.4 0.3 . 1 . . . . 62 ALA N . 15995 1 338 . 1 1 33 33 ALA H H 1 7.92 0.02 . 1 . . . . 63 ALA H . 15995 1 339 . 1 1 33 33 ALA HA H 1 4.07 0.02 . 1 . . . . 63 ALA HA . 15995 1 340 . 1 1 33 33 ALA HB1 H 1 1.45 0.02 . 1 . . . . 63 ALA HB . 15995 1 341 . 1 1 33 33 ALA HB2 H 1 1.45 0.02 . 1 . . . . 63 ALA HB . 15995 1 342 . 1 1 33 33 ALA HB3 H 1 1.45 0.02 . 1 . . . . 63 ALA HB . 15995 1 343 . 1 1 33 33 ALA C C 13 176.2 0.3 . 1 . . . . 63 ALA C . 15995 1 344 . 1 1 33 33 ALA CA C 13 52.1 0.3 . 1 . . . . 63 ALA CA . 15995 1 345 . 1 1 33 33 ALA CB C 13 15.8 0.3 . 1 . . . . 63 ALA CB . 15995 1 346 . 1 1 33 33 ALA N N 15 120.1 0.3 . 1 . . . . 63 ALA N . 15995 1 347 . 1 1 34 34 LEU H H 1 8.09 0.02 . 1 . . . . 64 LEU H . 15995 1 348 . 1 1 34 34 LEU HA H 1 3.98 0.02 . 1 . . . . 64 LEU HA . 15995 1 349 . 1 1 34 34 LEU HB2 H 1 1.67 0.02 . 2 . . . . 64 LEU HB2 . 15995 1 350 . 1 1 34 34 LEU HB3 H 1 1.77 0.02 . 2 . . . . 64 LEU HB3 . 15995 1 351 . 1 1 34 34 LEU HD11 H 1 0.84 0.02 . 1 . . . . 64 LEU HD1 . 15995 1 352 . 1 1 34 34 LEU HD12 H 1 0.84 0.02 . 1 . . . . 64 LEU HD1 . 15995 1 353 . 1 1 34 34 LEU HD13 H 1 0.84 0.02 . 1 . . . . 64 LEU HD1 . 15995 1 354 . 1 1 34 34 LEU HD21 H 1 0.85 0.02 . 1 . . . . 64 LEU HD2 . 15995 1 355 . 1 1 34 34 LEU HD22 H 1 0.85 0.02 . 1 . . . . 64 LEU HD2 . 15995 1 356 . 1 1 34 34 LEU HD23 H 1 0.85 0.02 . 1 . . . . 64 LEU HD2 . 15995 1 357 . 1 1 34 34 LEU HG H 1 1.76 0.02 . 1 . . . . 64 LEU HG . 15995 1 358 . 1 1 34 34 LEU C C 13 175.9 0.3 . 1 . . . . 64 LEU C . 15995 1 359 . 1 1 34 34 LEU CA C 13 55.5 0.3 . 1 . . . . 64 LEU CA . 15995 1 360 . 1 1 34 34 LEU CB C 13 39.1 0.3 . 1 . . . . 64 LEU CB . 15995 1 361 . 1 1 34 34 LEU CD1 C 13 21.8 0.3 . 1 . . . . 64 LEU CD1 . 15995 1 362 . 1 1 34 34 LEU CD2 C 13 22.3 0.3 . 1 . . . . 64 LEU CD2 . 15995 1 363 . 1 1 34 34 LEU CG C 13 24.4 0.3 . 1 . . . . 64 LEU CG . 15995 1 364 . 1 1 34 34 LEU N N 15 116.4 0.3 . 1 . . . . 64 LEU N . 15995 1 365 . 1 1 35 35 THR H H 1 7.86 0.02 . 1 . . . . 65 THR H . 15995 1 366 . 1 1 35 35 THR HA H 1 3.77 0.02 . 1 . . . . 65 THR HA . 15995 1 367 . 1 1 35 35 THR HB H 1 4.24 0.02 . 1 . . . . 65 THR HB . 15995 1 368 . 1 1 35 35 THR HG21 H 1 1.21 0.02 . 1 . . . . 65 THR HG2 . 15995 1 369 . 1 1 35 35 THR HG22 H 1 1.21 0.02 . 1 . . . . 65 THR HG2 . 15995 1 370 . 1 1 35 35 THR HG23 H 1 1.21 0.02 . 1 . . . . 65 THR HG2 . 15995 1 371 . 1 1 35 35 THR C C 13 173.1 0.3 . 1 . . . . 65 THR C . 15995 1 372 . 1 1 35 35 THR CA C 13 64.6 0.3 . 1 . . . . 65 THR CA . 15995 1 373 . 1 1 35 35 THR CB C 13 66.0 0.3 . 1 . . . . 65 THR CB . 15995 1 374 . 1 1 35 35 THR CG2 C 13 19.0 0.3 . 1 . . . . 65 THR CG2 . 15995 1 375 . 1 1 35 35 THR N N 15 113.5 0.3 . 1 . . . . 65 THR N . 15995 1 376 . 1 1 36 36 LEU H H 1 7.43 0.02 . 1 . . . . 66 LEU H . 15995 1 377 . 1 1 36 36 LEU HA H 1 4.00 0.02 . 1 . . . . 66 LEU HA . 15995 1 378 . 1 1 36 36 LEU HB2 H 1 1.57 0.02 . 2 . . . . 66 LEU HB2 . 15995 1 379 . 1 1 36 36 LEU HB3 H 1 1.85 0.02 . 2 . . . . 66 LEU HB3 . 15995 1 380 . 1 1 36 36 LEU HD11 H 1 0.82 0.02 . 1 . . . . 66 LEU HD1 . 15995 1 381 . 1 1 36 36 LEU HD12 H 1 0.82 0.02 . 1 . . . . 66 LEU HD1 . 15995 1 382 . 1 1 36 36 LEU HD13 H 1 0.82 0.02 . 1 . . . . 66 LEU HD1 . 15995 1 383 . 1 1 36 36 LEU HD21 H 1 0.87 0.02 . 1 . . . . 66 LEU HD2 . 15995 1 384 . 1 1 36 36 LEU HD22 H 1 0.87 0.02 . 1 . . . . 66 LEU HD2 . 15995 1 385 . 1 1 36 36 LEU HD23 H 1 0.87 0.02 . 1 . . . . 66 LEU HD2 . 15995 1 386 . 1 1 36 36 LEU HG H 1 1.69 0.02 . 1 . . . . 66 LEU HG . 15995 1 387 . 1 1 36 36 LEU C C 13 176.8 0.3 . 1 . . . . 66 LEU C . 15995 1 388 . 1 1 36 36 LEU CA C 13 55.5 0.3 . 1 . . . . 66 LEU CA . 15995 1 389 . 1 1 36 36 LEU CB C 13 39.2 0.3 . 1 . . . . 66 LEU CB . 15995 1 390 . 1 1 36 36 LEU CD1 C 13 21.3 0.3 . 1 . . . . 66 LEU CD1 . 15995 1 391 . 1 1 36 36 LEU CD2 C 13 22.5 0.3 . 1 . . . . 66 LEU CD2 . 15995 1 392 . 1 1 36 36 LEU CG C 13 24.2 0.3 . 1 . . . . 66 LEU CG . 15995 1 393 . 1 1 36 36 LEU N N 15 120.2 0.3 . 1 . . . . 66 LEU N . 15995 1 394 . 1 1 37 37 ILE H H 1 7.75 0.02 . 1 . . . . 67 ILE H . 15995 1 395 . 1 1 37 37 ILE HA H 1 3.80 0.02 . 1 . . . . 67 ILE HA . 15995 1 396 . 1 1 37 37 ILE HB H 1 2.05 0.02 . 1 . . . . 67 ILE HB . 15995 1 397 . 1 1 37 37 ILE HD11 H 1 0.82 0.02 . 1 . . . . 67 ILE HD1 . 15995 1 398 . 1 1 37 37 ILE HD12 H 1 0.82 0.02 . 1 . . . . 67 ILE HD1 . 15995 1 399 . 1 1 37 37 ILE HD13 H 1 0.82 0.02 . 1 . . . . 67 ILE HD1 . 15995 1 400 . 1 1 37 37 ILE HG12 H 1 1.15 0.02 . 2 . . . . 67 ILE HG12 . 15995 1 401 . 1 1 37 37 ILE HG13 H 1 1.75 0.02 . 2 . . . . 67 ILE HG13 . 15995 1 402 . 1 1 37 37 ILE HG21 H 1 0.88 0.02 . 1 . . . . 67 ILE HG2 . 15995 1 403 . 1 1 37 37 ILE HG22 H 1 0.88 0.02 . 1 . . . . 67 ILE HG2 . 15995 1 404 . 1 1 37 37 ILE HG23 H 1 0.88 0.02 . 1 . . . . 67 ILE HG2 . 15995 1 405 . 1 1 37 37 ILE C C 13 175.0 0.3 . 1 . . . . 67 ILE C . 15995 1 406 . 1 1 37 37 ILE CA C 13 62.6 0.3 . 1 . . . . 67 ILE CA . 15995 1 407 . 1 1 37 37 ILE CB C 13 35.3 0.3 . 1 . . . . 67 ILE CB . 15995 1 408 . 1 1 37 37 ILE CD1 C 13 10.8 0.3 . 1 . . . . 67 ILE CD1 . 15995 1 409 . 1 1 37 37 ILE CG1 C 13 26.5 0.3 . 1 . . . . 67 ILE CG1 . 15995 1 410 . 1 1 37 37 ILE CG2 C 13 14.6 0.3 . 1 . . . . 67 ILE CG2 . 15995 1 411 . 1 1 37 37 ILE N N 15 119.6 0.3 . 1 . . . . 67 ILE N . 15995 1 412 . 1 1 38 38 VAL H H 1 8.25 0.02 . 1 . . . . 68 VAL H . 15995 1 413 . 1 1 38 38 VAL HA H 1 3.59 0.02 . 1 . . . . 68 VAL HA . 15995 1 414 . 1 1 38 38 VAL HB H 1 2.26 0.02 . 1 . . . . 68 VAL HB . 15995 1 415 . 1 1 38 38 VAL HG11 H 1 0.94 0.02 . 1 . . . . 68 VAL HG1 . 15995 1 416 . 1 1 38 38 VAL HG12 H 1 0.94 0.02 . 1 . . . . 68 VAL HG1 . 15995 1 417 . 1 1 38 38 VAL HG13 H 1 0.94 0.02 . 1 . . . . 68 VAL HG1 . 15995 1 418 . 1 1 38 38 VAL HG21 H 1 1.06 0.02 . 1 . . . . 68 VAL HG2 . 15995 1 419 . 1 1 38 38 VAL HG22 H 1 1.06 0.02 . 1 . . . . 68 VAL HG2 . 15995 1 420 . 1 1 38 38 VAL HG23 H 1 1.06 0.02 . 1 . . . . 68 VAL HG2 . 15995 1 421 . 1 1 38 38 VAL C C 13 176.6 0.3 . 1 . . . . 68 VAL C . 15995 1 422 . 1 1 38 38 VAL CA C 13 65.0 0.3 . 1 . . . . 68 VAL CA . 15995 1 423 . 1 1 38 38 VAL CB C 13 28.9 0.3 . 1 . . . . 68 VAL CB . 15995 1 424 . 1 1 38 38 VAL CG1 C 13 19.1 0.3 . 1 . . . . 68 VAL CG1 . 15995 1 425 . 1 1 38 38 VAL CG2 C 13 20.7 0.3 . 1 . . . . 68 VAL CG2 . 15995 1 426 . 1 1 38 38 VAL N N 15 119.6 0.3 . 1 . . . . 68 VAL N . 15995 1 427 . 1 1 39 39 VAL H H 1 8.37 0.02 . 1 . . . . 69 VAL H . 15995 1 428 . 1 1 39 39 VAL HA H 1 3.62 0.02 . 1 . . . . 69 VAL HA . 15995 1 429 . 1 1 39 39 VAL HB H 1 2.23 0.02 . 1 . . . . 69 VAL HB . 15995 1 430 . 1 1 39 39 VAL HG11 H 1 0.94 0.02 . 1 . . . . 69 VAL HG1 . 15995 1 431 . 1 1 39 39 VAL HG12 H 1 0.94 0.02 . 1 . . . . 69 VAL HG1 . 15995 1 432 . 1 1 39 39 VAL HG13 H 1 0.94 0.02 . 1 . . . . 69 VAL HG1 . 15995 1 433 . 1 1 39 39 VAL HG21 H 1 1.08 0.02 . 1 . . . . 69 VAL HG2 . 15995 1 434 . 1 1 39 39 VAL HG22 H 1 1.08 0.02 . 1 . . . . 69 VAL HG2 . 15995 1 435 . 1 1 39 39 VAL HG23 H 1 1.08 0.02 . 1 . . . . 69 VAL HG2 . 15995 1 436 . 1 1 39 39 VAL C C 13 175.8 0.3 . 1 . . . . 69 VAL C . 15995 1 437 . 1 1 39 39 VAL CA C 13 64.2 0.3 . 1 . . . . 69 VAL CA . 15995 1 438 . 1 1 39 39 VAL CB C 13 28.9 0.3 . 1 . . . . 69 VAL CB . 15995 1 439 . 1 1 39 39 VAL CG1 C 13 18.5 0.3 . 1 . . . . 69 VAL CG1 . 15995 1 440 . 1 1 39 39 VAL CG2 C 13 20.2 0.3 . 1 . . . . 69 VAL CG2 . 15995 1 441 . 1 1 39 39 VAL N N 15 121.7 0.3 . 1 . . . . 69 VAL N . 15995 1 442 . 1 1 40 40 TRP H H 1 8.32 0.02 . 1 . . . . 70 TRP H . 15995 1 443 . 1 1 40 40 TRP HA H 1 4.15 0.02 . 1 . . . . 70 TRP HA . 15995 1 444 . 1 1 40 40 TRP HB2 H 1 3.36 0.02 . 2 . . . . 70 TRP HB2 . 15995 1 445 . 1 1 40 40 TRP HB3 H 1 3.54 0.02 . 2 . . . . 70 TRP HB3 . 15995 1 446 . 1 1 40 40 TRP HE1 H 1 10.16 0.02 . 1 . . . . 70 TRP HE1 . 15995 1 447 . 1 1 40 40 TRP HE3 H 1 7.20 0.02 . 1 . . . . 70 TRP HE3 . 15995 1 448 . 1 1 40 40 TRP HZ2 H 1 6.77 0.02 . 1 . . . . 70 TRP HZ2 . 15995 1 449 . 1 1 40 40 TRP C C 13 176.6 0.3 . 1 . . . . 70 TRP C . 15995 1 450 . 1 1 40 40 TRP CA C 13 59.7 0.3 . 1 . . . . 70 TRP CA . 15995 1 451 . 1 1 40 40 TRP CB C 13 26.4 0.3 . 1 . . . . 70 TRP CB . 15995 1 452 . 1 1 40 40 TRP CE3 C 13 124.5 0.3 . 1 . . . . 70 TRP CE3 . 15995 1 453 . 1 1 40 40 TRP CZ2 C 13 114.2 0.3 . 1 . . . . 70 TRP CZ2 . 15995 1 454 . 1 1 40 40 TRP N N 15 122.4 0.3 . 1 . . . . 70 TRP N . 15995 1 455 . 1 1 40 40 TRP NE1 N 15 129.5 0.3 . 1 . . . . 70 TRP NE1 . 15995 1 456 . 1 1 41 41 ILE H H 1 8.78 0.02 . 1 . . . . 71 ILE H . 15995 1 457 . 1 1 41 41 ILE HA H 1 3.51 0.02 . 1 . . . . 71 ILE HA . 15995 1 458 . 1 1 41 41 ILE HB H 1 2.06 0.02 . 1 . . . . 71 ILE HB . 15995 1 459 . 1 1 41 41 ILE HD11 H 1 0.89 0.02 . 1 . . . . 71 ILE HD1 . 15995 1 460 . 1 1 41 41 ILE HD12 H 1 0.89 0.02 . 1 . . . . 71 ILE HD1 . 15995 1 461 . 1 1 41 41 ILE HD13 H 1 0.89 0.02 . 1 . . . . 71 ILE HD1 . 15995 1 462 . 1 1 41 41 ILE HG12 H 1 1.30 0.02 . 2 . . . . 71 ILE HG12 . 15995 1 463 . 1 1 41 41 ILE HG13 H 1 2.08 0.02 . 2 . . . . 71 ILE HG13 . 15995 1 464 . 1 1 41 41 ILE HG21 H 1 0.94 0.02 . 1 . . . . 71 ILE HG2 . 15995 1 465 . 1 1 41 41 ILE HG22 H 1 0.94 0.02 . 1 . . . . 71 ILE HG2 . 15995 1 466 . 1 1 41 41 ILE HG23 H 1 0.94 0.02 . 1 . . . . 71 ILE HG2 . 15995 1 467 . 1 1 41 41 ILE C C 13 175.6 0.3 . 1 . . . . 71 ILE C . 15995 1 468 . 1 1 41 41 ILE CA C 13 62.5 0.3 . 1 . . . . 71 ILE CA . 15995 1 469 . 1 1 41 41 ILE CB C 13 35.7 0.3 . 1 . . . . 71 ILE CB . 15995 1 470 . 1 1 41 41 ILE CD1 C 13 11.4 0.3 . 1 . . . . 71 ILE CD1 . 15995 1 471 . 1 1 41 41 ILE CG1 C 13 26.7 0.3 . 1 . . . . 71 ILE CG1 . 15995 1 472 . 1 1 41 41 ILE CG2 C 13 14.9 0.3 . 1 . . . . 71 ILE CG2 . 15995 1 473 . 1 1 41 41 ILE N N 15 117.5 0.3 . 1 . . . . 71 ILE N . 15995 1 474 . 1 1 42 42 THR H H 1 8.28 0.02 . 1 . . . . 72 THR H . 15995 1 475 . 1 1 42 42 THR HA H 1 4.00 0.02 . 1 . . . . 72 THR HA . 15995 1 476 . 1 1 42 42 THR HB H 1 4.31 0.02 . 1 . . . . 72 THR HB . 15995 1 477 . 1 1 42 42 THR HG21 H 1 1.27 0.02 . 1 . . . . 72 THR HG2 . 15995 1 478 . 1 1 42 42 THR HG22 H 1 1.27 0.02 . 1 . . . . 72 THR HG2 . 15995 1 479 . 1 1 42 42 THR HG23 H 1 1.27 0.02 . 1 . . . . 72 THR HG2 . 15995 1 480 . 1 1 42 42 THR C C 13 173.8 0.3 . 1 . . . . 72 THR C . 15995 1 481 . 1 1 42 42 THR CA C 13 62.5 0.3 . 1 . . . . 72 THR CA . 15995 1 482 . 1 1 42 42 THR CB C 13 66.5 0.3 . 1 . . . . 72 THR CB . 15995 1 483 . 1 1 42 42 THR CG2 C 13 19.3 0.3 . 1 . . . . 72 THR CG2 . 15995 1 484 . 1 1 42 42 THR N N 15 110.7 0.3 . 1 . . . . 72 THR N . 15995 1 485 . 1 1 43 43 SER H H 1 7.81 0.02 . 1 . . . . 73 SER H . 15995 1 486 . 1 1 43 43 SER HA H 1 4.32 0.02 . 1 . . . . 73 SER HA . 15995 1 487 . 1 1 43 43 SER HB2 H 1 3.90 0.02 . 1 . . . . 73 SER HB2 . 15995 1 488 . 1 1 43 43 SER C C 13 172.8 0.3 . 1 . . . . 73 SER C . 15995 1 489 . 1 1 43 43 SER CA C 13 57.6 0.3 . 1 . . . . 73 SER CA . 15995 1 490 . 1 1 43 43 SER CB C 13 60.9 0.3 . 1 . . . . 73 SER CB . 15995 1 491 . 1 1 43 43 SER N N 15 115.9 0.3 . 1 . . . . 73 SER N . 15995 1 492 . 1 1 44 44 ARG H H 1 7.49 0.02 . 1 . . . . 74 ARG H . 15995 1 493 . 1 1 44 44 ARG HA H 1 4.12 0.02 . 1 . . . . 74 ARG HA . 15995 1 494 . 1 1 44 44 ARG HB2 H 1 1.43 0.02 . 2 . . . . 74 ARG HB2 . 15995 1 495 . 1 1 44 44 ARG HB3 H 1 1.65 0.02 . 2 . . . . 74 ARG HB3 . 15995 1 496 . 1 1 44 44 ARG HD2 H 1 2.43 0.02 . 2 . . . . 74 ARG HD2 . 15995 1 497 . 1 1 44 44 ARG HD3 H 1 2.62 0.02 . 2 . . . . 74 ARG HD3 . 15995 1 498 . 1 1 44 44 ARG HG2 H 1 1.19 0.02 . 2 . . . . 74 ARG HG2 . 15995 1 499 . 1 1 44 44 ARG HG3 H 1 1.31 0.02 . 2 . . . . 74 ARG HG3 . 15995 1 500 . 1 1 44 44 ARG C C 13 174.2 0.3 . 1 . . . . 74 ARG C . 15995 1 501 . 1 1 44 44 ARG CA C 13 53.6 0.3 . 1 . . . . 74 ARG CA . 15995 1 502 . 1 1 44 44 ARG CB C 13 27.7 0.3 . 1 . . . . 74 ARG CB . 15995 1 503 . 1 1 44 44 ARG CD C 13 39.9 0.3 . 1 . . . . 74 ARG CD . 15995 1 504 . 1 1 44 44 ARG CG C 13 23.8 0.3 . 1 . . . . 74 ARG CG . 15995 1 505 . 1 1 44 44 ARG N N 15 120.1 0.3 . 1 . . . . 74 ARG N . 15995 1 506 . 1 1 45 45 SER H H 1 7.89 0.02 . 1 . . . . 75 SER H . 15995 1 507 . 1 1 45 45 SER HA H 1 4.21 0.02 . 1 . . . . 75 SER HA . 15995 1 508 . 1 1 45 45 SER HB2 H 1 3.78 0.02 . 1 . . . . 75 SER HB2 . 15995 1 509 . 1 1 45 45 SER C C 13 172.3 0.3 . 1 . . . . 75 SER C . 15995 1 510 . 1 1 45 45 SER CA C 13 56.8 0.3 . 1 . . . . 75 SER CA . 15995 1 511 . 1 1 45 45 SER CB C 13 60.9 0.3 . 1 . . . . 75 SER CB . 15995 1 512 . 1 1 45 45 SER N N 15 114.4 0.3 . 1 . . . . 75 SER N . 15995 1 513 . 1 1 46 46 ARG H H 1 7.85 0.02 . 1 . . . . 76 ARG H . 15995 1 514 . 1 1 46 46 ARG HA H 1 4.22 0.02 . 1 . . . . 76 ARG HA . 15995 1 515 . 1 1 46 46 ARG HB2 H 1 1.70 0.02 . 2 . . . . 76 ARG HB2 . 15995 1 516 . 1 1 46 46 ARG HB3 H 1 1.84 0.02 . 2 . . . . 76 ARG HB3 . 15995 1 517 . 1 1 46 46 ARG HD2 H 1 3.04 0.02 . 1 . . . . 76 ARG HD2 . 15995 1 518 . 1 1 46 46 ARG HG2 H 1 1.56 0.02 . 1 . . . . 76 ARG HG2 . 15995 1 519 . 1 1 46 46 ARG C C 13 173.5 0.3 . 1 . . . . 76 ARG C . 15995 1 520 . 1 1 46 46 ARG CA C 13 53.9 0.3 . 1 . . . . 76 ARG CA . 15995 1 521 . 1 1 46 46 ARG CB C 13 27.8 0.3 . 1 . . . . 76 ARG CB . 15995 1 522 . 1 1 46 46 ARG CD C 13 40.6 0.3 . 1 . . . . 76 ARG CD . 15995 1 523 . 1 1 46 46 ARG CG C 13 24.6 0.3 . 1 . . . . 76 ARG CG . 15995 1 524 . 1 1 46 46 ARG N N 15 120.6 0.3 . 1 . . . . 76 ARG N . 15995 1 525 . 1 1 47 47 LYS H H 1 7.90 0.02 . 1 . . . . 77 LYS H . 15995 1 526 . 1 1 47 47 LYS HA H 1 4.32 0.02 . 1 . . . . 77 LYS HA . 15995 1 527 . 1 1 47 47 LYS HB2 H 1 1.68 0.02 . 2 . . . . 77 LYS HB2 . 15995 1 528 . 1 1 47 47 LYS HB3 H 1 1.82 0.02 . 2 . . . . 77 LYS HB3 . 15995 1 529 . 1 1 47 47 LYS HD2 H 1 1.60 0.02 . 1 . . . . 77 LYS HD2 . 15995 1 530 . 1 1 47 47 LYS HE2 H 1 2.90 0.02 . 1 . . . . 77 LYS HE2 . 15995 1 531 . 1 1 47 47 LYS HG2 H 1 1.33 0.02 . 2 . . . . 77 LYS HG2 . 15995 1 532 . 1 1 47 47 LYS HG3 H 1 1.38 0.02 . 2 . . . . 77 LYS HG3 . 15995 1 533 . 1 1 47 47 LYS C C 13 173.6 0.3 . 1 . . . . 77 LYS C . 15995 1 534 . 1 1 47 47 LYS CA C 13 53.4 0.3 . 1 . . . . 77 LYS CA . 15995 1 535 . 1 1 47 47 LYS CB C 13 30.5 0.3 . 1 . . . . 77 LYS CB . 15995 1 536 . 1 1 47 47 LYS CD C 13 26.3 0.3 . 1 . . . . 77 LYS CD . 15995 1 537 . 1 1 47 47 LYS CE C 13 39.4 0.3 . 1 . . . . 77 LYS CE . 15995 1 538 . 1 1 47 47 LYS CG C 13 22.1 0.3 . 1 . . . . 77 LYS CG . 15995 1 539 . 1 1 47 47 LYS N N 15 119.1 0.3 . 1 . . . . 77 LYS N . 15995 1 540 . 1 1 48 48 THR H H 1 7.84 0.02 . 1 . . . . 78 THR H . 15995 1 541 . 1 1 48 48 THR HA H 1 4.39 0.02 . 1 . . . . 78 THR HA . 15995 1 542 . 1 1 48 48 THR HB H 1 4.05 0.02 . 1 . . . . 78 THR HB . 15995 1 543 . 1 1 48 48 THR HG21 H 1 1.15 0.02 . 1 . . . . 78 THR HG2 . 15995 1 544 . 1 1 48 48 THR HG22 H 1 1.15 0.02 . 1 . . . . 78 THR HG2 . 15995 1 545 . 1 1 48 48 THR HG23 H 1 1.15 0.02 . 1 . . . . 78 THR HG2 . 15995 1 546 . 1 1 48 48 THR C C 13 174.0 0.3 . 1 . . . . 78 THR C . 15995 1 547 . 1 1 48 48 THR CA C 13 59.5 0.3 . 1 . . . . 78 THR CA . 15995 1 548 . 1 1 48 48 THR CB C 13 66.6 0.3 . 1 . . . . 78 THR CB . 15995 1 549 . 1 1 48 48 THR CG2 C 13 19.1 0.3 . 1 . . . . 78 THR CG2 . 15995 1 550 . 1 1 48 48 THR N N 15 116.2 0.3 . 1 . . . . 78 THR N . 15995 1 551 . 1 1 49 49 PRO HA H 1 4.41 0.02 . 1 . . . . 79 PRO HA . 15995 1 552 . 1 1 49 49 PRO HB2 H 1 1.74 0.02 . 2 . . . . 79 PRO HB2 . 15995 1 553 . 1 1 49 49 PRO HB3 H 1 2.16 0.02 . 2 . . . . 79 PRO HB3 . 15995 1 554 . 1 1 49 49 PRO HD2 H 1 3.57 0.02 . 2 . . . . 79 PRO HD2 . 15995 1 555 . 1 1 49 49 PRO HD3 H 1 3.82 0.02 . 2 . . . . 79 PRO HD3 . 15995 1 556 . 1 1 49 49 PRO HG2 H 1 1.91 0.02 . 1 . . . . 79 PRO HG2 . 15995 1 557 . 1 1 49 49 PRO CA C 13 60.8 0.3 . 1 . . . . 79 PRO CA . 15995 1 558 . 1 1 49 49 PRO CB C 13 28.9 0.3 . 1 . . . . 79 PRO CB . 15995 1 559 . 1 1 49 49 PRO CD C 13 48.0 0.3 . 1 . . . . 79 PRO CD . 15995 1 560 . 1 1 49 49 PRO CG C 13 25.0 0.3 . 1 . . . . 79 PRO CG . 15995 1 561 . 1 1 50 50 ILE H H 1 7.85 0.02 . 1 . . . . 80 ILE H . 15995 1 562 . 1 1 50 50 ILE HA H 1 3.88 0.02 . 1 . . . . 80 ILE HA . 15995 1 563 . 1 1 50 50 ILE HB H 1 1.81 0.02 . 1 . . . . 80 ILE HB . 15995 1 564 . 1 1 50 50 ILE HD11 H 1 0.79 0.02 . 1 . . . . 80 ILE HD1 . 15995 1 565 . 1 1 50 50 ILE HD12 H 1 0.79 0.02 . 1 . . . . 80 ILE HD1 . 15995 1 566 . 1 1 50 50 ILE HD13 H 1 0.79 0.02 . 1 . . . . 80 ILE HD1 . 15995 1 567 . 1 1 50 50 ILE HG12 H 1 1.18 0.02 . 2 . . . . 80 ILE HG12 . 15995 1 568 . 1 1 50 50 ILE HG13 H 1 1.41 0.02 . 2 . . . . 80 ILE HG13 . 15995 1 569 . 1 1 50 50 ILE HG21 H 1 0.82 0.02 . 1 . . . . 80 ILE HG2 . 15995 1 570 . 1 1 50 50 ILE HG22 H 1 0.82 0.02 . 1 . . . . 80 ILE HG2 . 15995 1 571 . 1 1 50 50 ILE HG23 H 1 0.82 0.02 . 1 . . . . 80 ILE HG2 . 15995 1 572 . 1 1 50 50 ILE C C 13 173.5 0.3 . 1 . . . . 80 ILE C . 15995 1 573 . 1 1 50 50 ILE CA C 13 59.8 0.3 . 1 . . . . 80 ILE CA . 15995 1 574 . 1 1 50 50 ILE CB C 13 35.6 0.3 . 1 . . . . 80 ILE CB . 15995 1 575 . 1 1 50 50 ILE CD1 C 13 10.4 0.3 . 1 . . . . 80 ILE CD1 . 15995 1 576 . 1 1 50 50 ILE CG1 C 13 25.3 0.3 . 1 . . . . 80 ILE CG1 . 15995 1 577 . 1 1 50 50 ILE CG2 C 13 15.1 0.3 . 1 . . . . 80 ILE CG2 . 15995 1 578 . 1 1 50 50 ILE N N 15 119.4 0.3 . 1 . . . . 80 ILE N . 15995 1 579 . 1 1 51 51 PHE H H 1 7.73 0.02 . 1 . . . . 81 PHE H . 15995 1 580 . 1 1 51 51 PHE HA H 1 4.50 0.02 . 1 . . . . 81 PHE HA . 15995 1 581 . 1 1 51 51 PHE HB3 H 1 3.10 0.02 . 1 . . . . 81 PHE HB3 . 15995 1 582 . 1 1 51 51 PHE HD1 H 1 7.19 0.02 . 1 . . . . 81 PHE HD1 . 15995 1 583 . 1 1 51 51 PHE HE1 H 1 7.21 0.02 . 1 . . . . 81 PHE HE1 . 15995 1 584 . 1 1 51 51 PHE HZ H 1 7.09 0.02 . 1 . . . . 81 PHE HZ . 15995 1 585 . 1 1 51 51 PHE CA C 13 56.2 0.3 . 1 . . . . 81 PHE CA . 15995 1 586 . 1 1 51 51 PHE CB C 13 36.5 0.3 . 1 . . . . 81 PHE CB . 15995 1 587 . 1 1 51 51 PHE CD1 C 13 129.0 0.3 . 1 . . . . 81 PHE CD1 . 15995 1 588 . 1 1 51 51 PHE CE1 C 13 128.7 0.3 . 1 . . . . 81 PHE CE1 . 15995 1 589 . 1 1 51 51 PHE CZ C 13 126.7 0.3 . 1 . . . . 81 PHE CZ . 15995 1 590 . 1 1 51 51 PHE N N 15 118.9 0.3 . 1 . . . . 81 PHE N . 15995 1 591 . 1 1 52 52 ILE H H 1 7.42 0.02 . 1 . . . . 82 ILE H . 15995 1 592 . 1 1 52 52 ILE HA H 1 3.88 0.02 . 1 . . . . 82 ILE HA . 15995 1 593 . 1 1 52 52 ILE HB H 1 1.83 0.02 . 1 . . . . 82 ILE HB . 15995 1 594 . 1 1 52 52 ILE HD11 H 1 0.78 0.02 . 1 . . . . 82 ILE HD1 . 15995 1 595 . 1 1 52 52 ILE HD12 H 1 0.78 0.02 . 1 . . . . 82 ILE HD1 . 15995 1 596 . 1 1 52 52 ILE HD13 H 1 0.78 0.02 . 1 . . . . 82 ILE HD1 . 15995 1 597 . 1 1 52 52 ILE HG12 H 1 1.07 0.02 . 2 . . . . 82 ILE HG12 . 15995 1 598 . 1 1 52 52 ILE HG13 H 1 1.38 0.02 . 2 . . . . 82 ILE HG13 . 15995 1 599 . 1 1 52 52 ILE HG21 H 1 0.78 0.02 . 1 . . . . 82 ILE HG2 . 15995 1 600 . 1 1 52 52 ILE HG22 H 1 0.78 0.02 . 1 . . . . 82 ILE HG2 . 15995 1 601 . 1 1 52 52 ILE HG23 H 1 0.78 0.02 . 1 . . . . 82 ILE HG2 . 15995 1 602 . 1 1 52 52 ILE C C 13 173.8 0.3 . 1 . . . . 82 ILE C . 15995 1 603 . 1 1 52 52 ILE CA C 13 59.7 0.3 . 1 . . . . 82 ILE CA . 15995 1 604 . 1 1 52 52 ILE CB C 13 35.4 0.3 . 1 . . . . 82 ILE CB . 15995 1 605 . 1 1 52 52 ILE CD1 C 13 10.3 0.3 . 1 . . . . 82 ILE CD1 . 15995 1 606 . 1 1 52 52 ILE CG1 C 13 25.3 0.3 . 1 . . . . 82 ILE CG1 . 15995 1 607 . 1 1 52 52 ILE CG2 C 13 15.0 0.3 . 1 . . . . 82 ILE CG2 . 15995 1 608 . 1 1 52 52 ILE N N 15 118.0 0.3 . 1 . . . . 82 ILE N . 15995 1 609 . 1 1 53 53 ILE H H 1 7.54 0.02 . 1 . . . . 83 ILE H . 15995 1 610 . 1 1 53 53 ILE HA H 1 3.89 0.02 . 1 . . . . 83 ILE HA . 15995 1 611 . 1 1 53 53 ILE HB H 1 1.86 0.02 . 1 . . . . 83 ILE HB . 15995 1 612 . 1 1 53 53 ILE HD11 H 1 0.78 0.02 . 1 . . . . 83 ILE HD1 . 15995 1 613 . 1 1 53 53 ILE HD12 H 1 0.78 0.02 . 1 . . . . 83 ILE HD1 . 15995 1 614 . 1 1 53 53 ILE HD13 H 1 0.78 0.02 . 1 . . . . 83 ILE HD1 . 15995 1 615 . 1 1 53 53 ILE HG12 H 1 1.15 0.02 . 2 . . . . 83 ILE HG12 . 15995 1 616 . 1 1 53 53 ILE HG13 H 1 1.48 0.02 . 2 . . . . 83 ILE HG13 . 15995 1 617 . 1 1 53 53 ILE HG21 H 1 0.86 0.02 . 1 . . . . 83 ILE HG2 . 15995 1 618 . 1 1 53 53 ILE HG22 H 1 0.86 0.02 . 1 . . . . 83 ILE HG2 . 15995 1 619 . 1 1 53 53 ILE HG23 H 1 0.86 0.02 . 1 . . . . 83 ILE HG2 . 15995 1 620 . 1 1 53 53 ILE C C 13 174.3 0.3 . 1 . . . . 83 ILE C . 15995 1 621 . 1 1 53 53 ILE CA C 13 59.8 0.3 . 1 . . . . 83 ILE CA . 15995 1 622 . 1 1 53 53 ILE CB C 13 35.6 0.3 . 1 . . . . 83 ILE CB . 15995 1 623 . 1 1 53 53 ILE CD1 C 13 10.5 0.3 . 1 . . . . 83 ILE CD1 . 15995 1 624 . 1 1 53 53 ILE CG1 C 13 25.4 0.3 . 1 . . . . 83 ILE CG1 . 15995 1 625 . 1 1 53 53 ILE CG2 C 13 15.0 0.3 . 1 . . . . 83 ILE CG2 . 15995 1 626 . 1 1 53 53 ILE N N 15 119.3 0.3 . 1 . . . . 83 ILE N . 15995 1 627 . 1 1 54 54 ASN H H 1 8.03 0.02 . 1 . . . . 84 ASN H . 15995 1 628 . 1 1 54 54 ASN HA H 1 4.62 0.02 . 1 . . . . 84 ASN HA . 15995 1 629 . 1 1 54 54 ASN HB2 H 1 2.86 0.02 . 2 . . . . 84 ASN HB2 . 15995 1 630 . 1 1 54 54 ASN HB3 H 1 2.93 0.02 . 2 . . . . 84 ASN HB3 . 15995 1 631 . 1 1 54 54 ASN CA C 13 51.5 0.3 . 1 . . . . 84 ASN CA . 15995 1 632 . 1 1 54 54 ASN CB C 13 36.5 0.3 . 1 . . . . 84 ASN CB . 15995 1 633 . 1 1 54 54 ASN N N 15 118.3 0.3 . 1 . . . . 84 ASN N . 15995 1 634 . 1 1 55 55 GLN H H 1 8.04 0.02 . 1 . . . . 85 GLN H . 15995 1 635 . 1 1 55 55 GLN HA H 1 4.21 0.02 . 1 . . . . 85 GLN HA . 15995 1 636 . 1 1 55 55 GLN HB3 H 1 1.89 0.02 . 1 . . . . 85 GLN HB3 . 15995 1 637 . 1 1 55 55 GLN HG2 H 1 2.14 0.02 . 2 . . . . 85 GLN HG2 . 15995 1 638 . 1 1 55 55 GLN HG3 H 1 2.29 0.02 . 2 . . . . 85 GLN HG3 . 15995 1 639 . 1 1 55 55 GLN CA C 13 54.4 0.3 . 1 . . . . 85 GLN CA . 15995 1 640 . 1 1 55 55 GLN CB C 13 25.6 0.3 . 1 . . . . 85 GLN CB . 15995 1 641 . 1 1 55 55 GLN CG C 13 30.8 0.3 . 1 . . . . 85 GLN CG . 15995 1 642 . 1 1 56 56 VAL H H 1 7.72 0.02 . 1 . . . . 86 VAL H . 15995 1 643 . 1 1 56 56 VAL HA H 1 3.80 0.02 . 1 . . . . 86 VAL HA . 15995 1 644 . 1 1 56 56 VAL HB H 1 2.16 0.02 . 1 . . . . 86 VAL HB . 15995 1 645 . 1 1 56 56 VAL HG11 H 1 0.94 0.02 . 1 . . . . 86 VAL HG1 . 15995 1 646 . 1 1 56 56 VAL HG12 H 1 0.94 0.02 . 1 . . . . 86 VAL HG1 . 15995 1 647 . 1 1 56 56 VAL HG13 H 1 0.94 0.02 . 1 . . . . 86 VAL HG1 . 15995 1 648 . 1 1 56 56 VAL HG21 H 1 1.01 0.02 . 1 . . . . 86 VAL HG2 . 15995 1 649 . 1 1 56 56 VAL HG22 H 1 1.01 0.02 . 1 . . . . 86 VAL HG2 . 15995 1 650 . 1 1 56 56 VAL HG23 H 1 1.01 0.02 . 1 . . . . 86 VAL HG2 . 15995 1 651 . 1 1 56 56 VAL C C 13 174.2 0.3 . 1 . . . . 86 VAL C . 15995 1 652 . 1 1 56 56 VAL CA C 13 62.7 0.3 . 1 . . . . 86 VAL CA . 15995 1 653 . 1 1 56 56 VAL CB C 13 29.1 0.3 . 1 . . . . 86 VAL CB . 15995 1 654 . 1 1 56 56 VAL CG1 C 13 18.6 0.3 . 1 . . . . 86 VAL CG1 . 15995 1 655 . 1 1 56 56 VAL CG2 C 13 19.6 0.3 . 1 . . . . 86 VAL CG2 . 15995 1 656 . 1 1 56 56 VAL N N 15 118.7 0.3 . 1 . . . . 86 VAL N . 15995 1 657 . 1 1 57 57 SER H H 1 8.08 0.02 . 1 . . . . 87 SER H . 15995 1 658 . 1 1 57 57 SER HA H 1 4.20 0.02 . 1 . . . . 87 SER HA . 15995 1 659 . 1 1 57 57 SER HB2 H 1 3.89 0.02 . 1 . . . . 87 SER HB2 . 15995 1 660 . 1 1 57 57 SER C C 13 173.8 0.3 . 1 . . . . 87 SER C . 15995 1 661 . 1 1 57 57 SER CA C 13 58.4 0.3 . 1 . . . . 87 SER CA . 15995 1 662 . 1 1 57 57 SER CB C 13 60.0 0.3 . 1 . . . . 87 SER CB . 15995 1 663 . 1 1 57 57 SER N N 15 115.3 0.3 . 1 . . . . 87 SER N . 15995 1 664 . 1 1 58 58 LEU H H 1 7.78 0.02 . 1 . . . . 88 LEU H . 15995 1 665 . 1 1 58 58 LEU HA H 1 4.06 0.02 . 1 . . . . 88 LEU HA . 15995 1 666 . 1 1 58 58 LEU HB2 H 1 1.61 0.02 . 2 . . . . 88 LEU HB2 . 15995 1 667 . 1 1 58 58 LEU HB3 H 1 1.66 0.02 . 2 . . . . 88 LEU HB3 . 15995 1 668 . 1 1 58 58 LEU HD11 H 1 0.88 0.02 . 1 . . . . 88 LEU HD1 . 15995 1 669 . 1 1 58 58 LEU HD12 H 1 0.88 0.02 . 1 . . . . 88 LEU HD1 . 15995 1 670 . 1 1 58 58 LEU HD13 H 1 0.88 0.02 . 1 . . . . 88 LEU HD1 . 15995 1 671 . 1 1 58 58 LEU HD21 H 1 0.82 0.02 . 1 . . . . 88 LEU HD2 . 15995 1 672 . 1 1 58 58 LEU HD22 H 1 0.82 0.02 . 1 . . . . 88 LEU HD2 . 15995 1 673 . 1 1 58 58 LEU HD23 H 1 0.82 0.02 . 1 . . . . 88 LEU HD2 . 15995 1 674 . 1 1 58 58 LEU HG H 1 1.69 0.02 . 1 . . . . 88 LEU HG . 15995 1 675 . 1 1 58 58 LEU CA C 13 55.3 0.3 . 1 . . . . 88 LEU CA . 15995 1 676 . 1 1 58 58 LEU CB C 13 39.2 0.3 . 1 . . . . 88 LEU CB . 15995 1 677 . 1 1 58 58 LEU CD1 C 13 21.7 0.3 . 1 . . . . 88 LEU CD1 . 15995 1 678 . 1 1 58 58 LEU CD2 C 13 22.2 0.3 . 1 . . . . 88 LEU CD2 . 15995 1 679 . 1 1 58 58 LEU CG C 13 24.2 0.3 . 1 . . . . 88 LEU CG . 15995 1 680 . 1 1 58 58 LEU N N 15 121.9 0.3 . 1 . . . . 88 LEU N . 15995 1 681 . 1 1 59 59 PHE H H 1 7.98 0.02 . 1 . . . . 89 PHE H . 15995 1 682 . 1 1 59 59 PHE HA H 1 4.19 0.02 . 1 . . . . 89 PHE HA . 15995 1 683 . 1 1 59 59 PHE HB3 H 1 3.18 0.02 . 1 . . . . 89 PHE HB3 . 15995 1 684 . 1 1 59 59 PHE HD1 H 1 7.16 0.02 . 1 . . . . 89 PHE HD1 . 15995 1 685 . 1 1 59 59 PHE HE1 H 1 7.11 0.02 . 1 . . . . 89 PHE HE1 . 15995 1 686 . 1 1 59 59 PHE HZ H 1 7.05 0.02 . 1 . . . . 89 PHE HZ . 15995 1 687 . 1 1 59 59 PHE C C 13 174.6 0.3 . 1 . . . . 89 PHE C . 15995 1 688 . 1 1 59 59 PHE CA C 13 58.3 0.3 . 1 . . . . 89 PHE CA . 15995 1 689 . 1 1 59 59 PHE CB C 13 35.9 0.3 . 1 . . . . 89 PHE CB . 15995 1 690 . 1 1 59 59 PHE CD1 C 13 128.9 0.3 . 1 . . . . 89 PHE CD1 . 15995 1 691 . 1 1 59 59 PHE CE1 C 13 128.3 0.3 . 1 . . . . 89 PHE CE1 . 15995 1 692 . 1 1 59 59 PHE CZ C 13 126.6 0.3 . 1 . . . . 89 PHE CZ . 15995 1 693 . 1 1 59 59 PHE N N 15 117.1 0.3 . 1 . . . . 89 PHE N . 15995 1 694 . 1 1 60 60 LEU H H 1 8.01 0.02 . 1 . . . . 90 LEU H . 15995 1 695 . 1 1 60 60 LEU HA H 1 3.87 0.02 . 1 . . . . 90 LEU HA . 15995 1 696 . 1 1 60 60 LEU HB2 H 1 1.40 0.02 . 2 . . . . 90 LEU HB2 . 15995 1 697 . 1 1 60 60 LEU HB3 H 1 1.92 0.02 . 2 . . . . 90 LEU HB3 . 15995 1 698 . 1 1 60 60 LEU HD11 H 1 0.85 0.02 . 1 . . . . 90 LEU HD1 . 15995 1 699 . 1 1 60 60 LEU HD12 H 1 0.85 0.02 . 1 . . . . 90 LEU HD1 . 15995 1 700 . 1 1 60 60 LEU HD13 H 1 0.85 0.02 . 1 . . . . 90 LEU HD1 . 15995 1 701 . 1 1 60 60 LEU HD21 H 1 0.91 0.02 . 1 . . . . 90 LEU HD2 . 15995 1 702 . 1 1 60 60 LEU HD22 H 1 0.91 0.02 . 1 . . . . 90 LEU HD2 . 15995 1 703 . 1 1 60 60 LEU HD23 H 1 0.91 0.02 . 1 . . . . 90 LEU HD2 . 15995 1 704 . 1 1 60 60 LEU HG H 1 1.81 0.02 . 1 . . . . 90 LEU HG . 15995 1 705 . 1 1 60 60 LEU C C 13 176.8 0.3 . 1 . . . . 90 LEU C . 15995 1 706 . 1 1 60 60 LEU CA C 13 55.4 0.3 . 1 . . . . 90 LEU CA . 15995 1 707 . 1 1 60 60 LEU CB C 13 38.9 0.3 . 1 . . . . 90 LEU CB . 15995 1 708 . 1 1 60 60 LEU CD1 C 13 20.4 0.3 . 1 . . . . 90 LEU CD1 . 15995 1 709 . 1 1 60 60 LEU CD2 C 13 22.7 0.3 . 1 . . . . 90 LEU CD2 . 15995 1 710 . 1 1 60 60 LEU CG C 13 24.4 0.3 . 1 . . . . 90 LEU CG . 15995 1 711 . 1 1 60 60 LEU N N 15 117.7 0.3 . 1 . . . . 90 LEU N . 15995 1 712 . 1 1 61 61 ILE H H 1 7.91 0.02 . 1 . . . . 91 ILE H . 15995 1 713 . 1 1 61 61 ILE HA H 1 3.79 0.02 . 1 . . . . 91 ILE HA . 15995 1 714 . 1 1 61 61 ILE HB H 1 2.05 0.02 . 1 . . . . 91 ILE HB . 15995 1 715 . 1 1 61 61 ILE HD11 H 1 0.80 0.02 . 1 . . . . 91 ILE HD1 . 15995 1 716 . 1 1 61 61 ILE HD12 H 1 0.80 0.02 . 1 . . . . 91 ILE HD1 . 15995 1 717 . 1 1 61 61 ILE HD13 H 1 0.80 0.02 . 1 . . . . 91 ILE HD1 . 15995 1 718 . 1 1 61 61 ILE HG12 H 1 1.09 0.02 . 2 . . . . 91 ILE HG12 . 15995 1 719 . 1 1 61 61 ILE HG13 H 1 1.82 0.02 . 2 . . . . 91 ILE HG13 . 15995 1 720 . 1 1 61 61 ILE HG21 H 1 0.96 0.02 . 1 . . . . 91 ILE HG2 . 15995 1 721 . 1 1 61 61 ILE HG22 H 1 0.96 0.02 . 1 . . . . 91 ILE HG2 . 15995 1 722 . 1 1 61 61 ILE HG23 H 1 0.96 0.02 . 1 . . . . 91 ILE HG2 . 15995 1 723 . 1 1 61 61 ILE CA C 13 62.5 0.3 . 1 . . . . 91 ILE CA . 15995 1 724 . 1 1 61 61 ILE CB C 13 35.4 0.3 . 1 . . . . 91 ILE CB . 15995 1 725 . 1 1 61 61 ILE CD1 C 13 10.9 0.3 . 1 . . . . 91 ILE CD1 . 15995 1 726 . 1 1 61 61 ILE CG1 C 13 26.6 0.3 . 1 . . . . 91 ILE CG1 . 15995 1 727 . 1 1 61 61 ILE CG2 C 13 15.0 0.3 . 1 . . . . 91 ILE CG2 . 15995 1 728 . 1 1 61 61 ILE N N 15 118.4 0.3 . 1 . . . . 91 ILE N . 15995 1 729 . 1 1 62 62 ILE H H 1 7.93 0.02 . 1 . . . . 92 ILE H . 15995 1 730 . 1 1 62 62 ILE HA H 1 3.62 0.02 . 1 . . . . 92 ILE HA . 15995 1 731 . 1 1 62 62 ILE HB H 1 1.99 0.02 . 1 . . . . 92 ILE HB . 15995 1 732 . 1 1 62 62 ILE HD11 H 1 0.79 0.02 . 1 . . . . 92 ILE HD1 . 15995 1 733 . 1 1 62 62 ILE HD12 H 1 0.79 0.02 . 1 . . . . 92 ILE HD1 . 15995 1 734 . 1 1 62 62 ILE HD13 H 1 0.79 0.02 . 1 . . . . 92 ILE HD1 . 15995 1 735 . 1 1 62 62 ILE HG12 H 1 1.13 0.02 . 2 . . . . 92 ILE HG12 . 15995 1 736 . 1 1 62 62 ILE HG13 H 1 1.75 0.02 . 2 . . . . 92 ILE HG13 . 15995 1 737 . 1 1 62 62 ILE HG21 H 1 0.86 0.02 . 1 . . . . 92 ILE HG2 . 15995 1 738 . 1 1 62 62 ILE HG22 H 1 0.86 0.02 . 1 . . . . 92 ILE HG2 . 15995 1 739 . 1 1 62 62 ILE HG23 H 1 0.86 0.02 . 1 . . . . 92 ILE HG2 . 15995 1 740 . 1 1 62 62 ILE C C 13 175.0 0.3 . 1 . . . . 92 ILE C . 15995 1 741 . 1 1 62 62 ILE CA C 13 62.8 0.3 . 1 . . . . 92 ILE CA . 15995 1 742 . 1 1 62 62 ILE CB C 13 34.6 0.3 . 1 . . . . 92 ILE CB . 15995 1 743 . 1 1 62 62 ILE CD1 C 13 10.6 0.3 . 1 . . . . 92 ILE CD1 . 15995 1 744 . 1 1 62 62 ILE CG1 C 13 26.4 0.3 . 1 . . . . 92 ILE CG1 . 15995 1 745 . 1 1 62 62 ILE CG2 C 13 14.8 0.3 . 1 . . . . 92 ILE CG2 . 15995 1 746 . 1 1 62 62 ILE N N 15 121.8 0.3 . 1 . . . . 92 ILE N . 15995 1 747 . 1 1 63 63 LEU H H 1 8.25 0.02 . 1 . . . . 93 LEU H . 15995 1 748 . 1 1 63 63 LEU HA H 1 3.88 0.02 . 1 . . . . 93 LEU HA . 15995 1 749 . 1 1 63 63 LEU HB2 H 1 1.44 0.02 . 2 . . . . 93 LEU HB2 . 15995 1 750 . 1 1 63 63 LEU HB3 H 1 1.58 0.02 . 2 . . . . 93 LEU HB3 . 15995 1 751 . 1 1 63 63 LEU HD11 H 1 0.78 0.02 . 1 . . . . 93 LEU HD1 . 15995 1 752 . 1 1 63 63 LEU HD12 H 1 0.78 0.02 . 1 . . . . 93 LEU HD1 . 15995 1 753 . 1 1 63 63 LEU HD13 H 1 0.78 0.02 . 1 . . . . 93 LEU HD1 . 15995 1 754 . 1 1 63 63 LEU HD21 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15995 1 755 . 1 1 63 63 LEU HD22 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15995 1 756 . 1 1 63 63 LEU HD23 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15995 1 757 . 1 1 63 63 LEU HG H 1 1.49 0.02 . 1 . . . . 93 LEU HG . 15995 1 758 . 1 1 63 63 LEU C C 13 175.9 0.3 . 1 . . . . 93 LEU C . 15995 1 759 . 1 1 63 63 LEU CA C 13 55.8 0.3 . 1 . . . . 93 LEU CA . 15995 1 760 . 1 1 63 63 LEU CB C 13 39.1 0.3 . 1 . . . . 93 LEU CB . 15995 1 761 . 1 1 63 63 LEU CD1 C 13 21.7 0.3 . 1 . . . . 93 LEU CD1 . 15995 1 762 . 1 1 63 63 LEU CD2 C 13 22.0 0.3 . 1 . . . . 93 LEU CD2 . 15995 1 763 . 1 1 63 63 LEU CG C 13 24.3 0.3 . 1 . . . . 93 LEU CG . 15995 1 764 . 1 1 63 63 LEU N N 15 119.8 0.3 . 1 . . . . 93 LEU N . 15995 1 765 . 1 1 64 64 HIS H H 1 8.33 0.02 . 1 . . . . 94 HIS H . 15995 1 766 . 1 1 64 64 HIS HA H 1 4.29 0.02 . 1 . . . . 94 HIS HA . 15995 1 767 . 1 1 64 64 HIS HB3 H 1 3.29 0.02 . 1 . . . . 94 HIS HB3 . 15995 1 768 . 1 1 64 64 HIS HD2 H 1 7.13 0.02 . 1 . . . . 94 HIS HD2 . 15995 1 769 . 1 1 64 64 HIS HE1 H 1 8.46 0.02 . 1 . . . . 94 HIS HE1 . 15995 1 770 . 1 1 64 64 HIS C C 13 175.2 0.3 . 1 . . . . 94 HIS C . 15995 1 771 . 1 1 64 64 HIS CA C 13 56.0 0.3 . 1 . . . . 94 HIS CA . 15995 1 772 . 1 1 64 64 HIS CB C 13 25.9 0.3 . 1 . . . . 94 HIS CB . 15995 1 773 . 1 1 64 64 HIS CD2 C 13 116.8 0.3 . 1 . . . . 94 HIS CD2 . 15995 1 774 . 1 1 64 64 HIS CE1 C 13 134.2 0.3 . 1 . . . . 94 HIS CE1 . 15995 1 775 . 1 1 64 64 HIS N N 15 114.7 0.3 . 1 . . . . 94 HIS N . 15995 1 776 . 1 1 65 65 SER H H 1 8.15 0.02 . 1 . . . . 95 SER H . 15995 1 777 . 1 1 65 65 SER HA H 1 4.25 0.02 . 1 . . . . 95 SER HA . 15995 1 778 . 1 1 65 65 SER HB2 H 1 3.82 0.02 . 1 . . . . 95 SER HB2 . 15995 1 779 . 1 1 65 65 SER C C 13 172.5 0.3 . 1 . . . . 95 SER C . 15995 1 780 . 1 1 65 65 SER CA C 13 59.9 0.3 . 1 . . . . 95 SER CA . 15995 1 781 . 1 1 65 65 SER CB C 13 60.5 0.3 . 1 . . . . 95 SER CB . 15995 1 782 . 1 1 65 65 SER N N 15 116.2 0.3 . 1 . . . . 95 SER N . 15995 1 783 . 1 1 66 66 ALA H H 1 8.22 0.02 . 1 . . . . 96 ALA H . 15995 1 784 . 1 1 66 66 ALA HA H 1 4.08 0.02 . 1 . . . . 96 ALA HA . 15995 1 785 . 1 1 66 66 ALA HB1 H 1 1.49 0.02 . 1 . . . . 96 ALA HB . 15995 1 786 . 1 1 66 66 ALA HB2 H 1 1.49 0.02 . 1 . . . . 96 ALA HB . 15995 1 787 . 1 1 66 66 ALA HB3 H 1 1.49 0.02 . 1 . . . . 96 ALA HB . 15995 1 788 . 1 1 66 66 ALA C C 13 176.4 0.3 . 1 . . . . 96 ALA C . 15995 1 789 . 1 1 66 66 ALA CA C 13 52.6 0.3 . 1 . . . . 96 ALA CA . 15995 1 790 . 1 1 66 66 ALA CB C 13 15.6 0.3 . 1 . . . . 96 ALA CB . 15995 1 791 . 1 1 66 66 ALA N N 15 123.5 0.3 . 1 . . . . 96 ALA N . 15995 1 792 . 1 1 67 67 LEU H H 1 7.87 0.02 . 1 . . . . 97 LEU H . 15995 1 793 . 1 1 67 67 LEU HA H 1 3.98 0.02 . 1 . . . . 97 LEU HA . 15995 1 794 . 1 1 67 67 LEU HB2 H 1 1.50 0.02 . 2 . . . . 97 LEU HB2 . 15995 1 795 . 1 1 67 67 LEU HB3 H 1 1.81 0.02 . 2 . . . . 97 LEU HB3 . 15995 1 796 . 1 1 67 67 LEU HD11 H 1 0.82 0.02 . 1 . . . . 97 LEU HD1 . 15995 1 797 . 1 1 67 67 LEU HD12 H 1 0.82 0.02 . 1 . . . . 97 LEU HD1 . 15995 1 798 . 1 1 67 67 LEU HD13 H 1 0.82 0.02 . 1 . . . . 97 LEU HD1 . 15995 1 799 . 1 1 67 67 LEU HD21 H 1 0.85 0.02 . 1 . . . . 97 LEU HD2 . 15995 1 800 . 1 1 67 67 LEU HD22 H 1 0.85 0.02 . 1 . . . . 97 LEU HD2 . 15995 1 801 . 1 1 67 67 LEU HD23 H 1 0.85 0.02 . 1 . . . . 97 LEU HD2 . 15995 1 802 . 1 1 67 67 LEU HG H 1 1.76 0.02 . 1 . . . . 97 LEU HG . 15995 1 803 . 1 1 67 67 LEU C C 13 176.7 0.3 . 1 . . . . 97 LEU C . 15995 1 804 . 1 1 67 67 LEU CA C 13 55.0 0.3 . 1 . . . . 97 LEU CA . 15995 1 805 . 1 1 67 67 LEU CB C 13 38.7 0.3 . 1 . . . . 97 LEU CB . 15995 1 806 . 1 1 67 67 LEU CD1 C 13 20.5 0.3 . 1 . . . . 97 LEU CD1 . 15995 1 807 . 1 1 67 67 LEU CD2 C 13 22.4 0.3 . 1 . . . . 97 LEU CD2 . 15995 1 808 . 1 1 67 67 LEU CG C 13 24.4 0.3 . 1 . . . . 97 LEU CG . 15995 1 809 . 1 1 67 67 LEU N N 15 115.8 0.3 . 1 . . . . 97 LEU N . 15995 1 810 . 1 1 68 68 TYR H H 1 7.83 0.02 . 1 . . . . 98 TYR H . 15995 1 811 . 1 1 68 68 TYR HA H 1 4.32 0.02 . 1 . . . . 98 TYR HA . 15995 1 812 . 1 1 68 68 TYR HB2 H 1 3.00 0.02 . 2 . . . . 98 TYR HB2 . 15995 1 813 . 1 1 68 68 TYR HB3 H 1 3.07 0.02 . 2 . . . . 98 TYR HB3 . 15995 1 814 . 1 1 68 68 TYR HD1 H 1 6.81 0.02 . 1 . . . . 98 TYR HD1 . 15995 1 815 . 1 1 68 68 TYR HE1 H 1 6.66 0.02 . 1 . . . . 98 TYR HE1 . 15995 1 816 . 1 1 68 68 TYR C C 13 174.9 0.3 . 1 . . . . 98 TYR C . 15995 1 817 . 1 1 68 68 TYR CA C 13 58.2 0.3 . 1 . . . . 98 TYR CA . 15995 1 818 . 1 1 68 68 TYR CB C 13 35.5 0.3 . 1 . . . . 98 TYR CB . 15995 1 819 . 1 1 68 68 TYR CD1 C 13 130.3 0.3 . 1 . . . . 98 TYR CD1 . 15995 1 820 . 1 1 68 68 TYR CE1 C 13 115.6 0.3 . 1 . . . . 98 TYR CE1 . 15995 1 821 . 1 1 68 68 TYR N N 15 120.3 0.3 . 1 . . . . 98 TYR N . 15995 1 822 . 1 1 69 69 PHE H H 1 8.11 0.02 . 1 . . . . 99 PHE H . 15995 1 823 . 1 1 69 69 PHE HA H 1 4.20 0.02 . 1 . . . . 99 PHE HA . 15995 1 824 . 1 1 69 69 PHE HB3 H 1 3.19 0.02 . 1 . . . . 99 PHE HB3 . 15995 1 825 . 1 1 69 69 PHE HD1 H 1 7.11 0.02 . 1 . . . . 99 PHE HD1 . 15995 1 826 . 1 1 69 69 PHE HE1 H 1 7.16 0.02 . 1 . . . . 99 PHE HE1 . 15995 1 827 . 1 1 69 69 PHE HZ H 1 7.11 0.02 . 1 . . . . 99 PHE HZ . 15995 1 828 . 1 1 69 69 PHE C C 13 173.6 0.3 . 1 . . . . 99 PHE C . 15995 1 829 . 1 1 69 69 PHE CA C 13 58.4 0.3 . 1 . . . . 99 PHE CA . 15995 1 830 . 1 1 69 69 PHE CB C 13 36.1 0.3 . 1 . . . . 99 PHE CB . 15995 1 831 . 1 1 69 69 PHE CD1 C 13 128.7 0.3 . 1 . . . . 99 PHE CD1 . 15995 1 832 . 1 1 69 69 PHE CE1 C 13 128.4 0.3 . 1 . . . . 99 PHE CE1 . 15995 1 833 . 1 1 69 69 PHE CZ C 13 126.7 0.3 . 1 . . . . 99 PHE CZ . 15995 1 834 . 1 1 69 69 PHE N N 15 117.6 0.3 . 1 . . . . 99 PHE N . 15995 1 835 . 1 1 70 70 LYS H H 1 8.03 0.02 . 1 . . . . 100 LYS H . 15995 1 836 . 1 1 70 70 LYS HA H 1 3.80 0.02 . 1 . . . . 100 LYS HA . 15995 1 837 . 1 1 70 70 LYS HB2 H 1 1.83 0.02 . 2 . . . . 100 LYS HB2 . 15995 1 838 . 1 1 70 70 LYS HB3 H 1 1.95 0.02 . 2 . . . . 100 LYS HB3 . 15995 1 839 . 1 1 70 70 LYS HD2 H 1 1.57 0.02 . 2 . . . . 100 LYS HD2 . 15995 1 840 . 1 1 70 70 LYS HD3 H 1 1.62 0.02 . 2 . . . . 100 LYS HD3 . 15995 1 841 . 1 1 70 70 LYS HE2 H 1 2.89 0.02 . 1 . . . . 100 LYS HE2 . 15995 1 842 . 1 1 70 70 LYS HG2 H 1 1.37 0.02 . 1 . . . . 100 LYS HG2 . 15995 1 843 . 1 1 70 70 LYS C C 13 175.7 0.3 . 1 . . . . 100 LYS C . 15995 1 844 . 1 1 70 70 LYS CA C 13 57.3 0.3 . 1 . . . . 100 LYS CA . 15995 1 845 . 1 1 70 70 LYS CB C 13 29.5 0.3 . 1 . . . . 100 LYS CB . 15995 1 846 . 1 1 70 70 LYS CD C 13 27.0 0.3 . 1 . . . . 100 LYS CD . 15995 1 847 . 1 1 70 70 LYS CE C 13 39.3 0.3 . 1 . . . . 100 LYS CE . 15995 1 848 . 1 1 70 70 LYS CG C 13 22.4 0.3 . 1 . . . . 100 LYS CG . 15995 1 849 . 1 1 70 70 LYS N N 15 118.3 0.3 . 1 . . . . 100 LYS N . 15995 1 850 . 1 1 71 71 TYR H H 1 7.72 0.02 . 1 . . . . 101 TYR H . 15995 1 851 . 1 1 71 71 TYR HA H 1 4.21 0.02 . 1 . . . . 101 TYR HA . 15995 1 852 . 1 1 71 71 TYR HB2 H 1 3.09 0.02 . 2 . . . . 101 TYR HB2 . 15995 1 853 . 1 1 71 71 TYR HB3 H 1 3.15 0.02 . 2 . . . . 101 TYR HB3 . 15995 1 854 . 1 1 71 71 TYR HD1 H 1 6.97 0.02 . 1 . . . . 101 TYR HD1 . 15995 1 855 . 1 1 71 71 TYR HE1 H 1 6.73 0.02 . 1 . . . . 101 TYR HE1 . 15995 1 856 . 1 1 71 71 TYR C C 13 175.3 0.3 . 1 . . . . 101 TYR C . 15995 1 857 . 1 1 71 71 TYR CA C 13 57.8 0.3 . 1 . . . . 101 TYR CA . 15995 1 858 . 1 1 71 71 TYR CB C 13 34.7 0.3 . 1 . . . . 101 TYR CB . 15995 1 859 . 1 1 71 71 TYR CD1 C 13 130.7 0.3 . 1 . . . . 101 TYR CD1 . 15995 1 860 . 1 1 71 71 TYR CE1 C 13 115.8 0.3 . 1 . . . . 101 TYR CE1 . 15995 1 861 . 1 1 71 71 TYR N N 15 119.6 0.3 . 1 . . . . 101 TYR N . 15995 1 862 . 1 1 72 72 LEU H H 1 7.95 0.02 . 1 . . . . 102 LEU H . 15995 1 863 . 1 1 72 72 LEU HA H 1 3.80 0.02 . 1 . . . . 102 LEU HA . 15995 1 864 . 1 1 72 72 LEU HB2 H 1 1.41 0.02 . 2 . . . . 102 LEU HB2 . 15995 1 865 . 1 1 72 72 LEU HB3 H 1 1.71 0.02 . 2 . . . . 102 LEU HB3 . 15995 1 866 . 1 1 72 72 LEU HD21 H 1 0.82 0.02 . 1 . . . . 102 LEU HD2 . 15995 1 867 . 1 1 72 72 LEU HD22 H 1 0.82 0.02 . 1 . . . . 102 LEU HD2 . 15995 1 868 . 1 1 72 72 LEU HD23 H 1 0.82 0.02 . 1 . . . . 102 LEU HD2 . 15995 1 869 . 1 1 72 72 LEU HG H 1 1.51 0.02 . 1 . . . . 102 LEU HG . 15995 1 870 . 1 1 72 72 LEU C C 13 176.3 0.3 . 1 . . . . 102 LEU C . 15995 1 871 . 1 1 72 72 LEU CA C 13 55.1 0.3 . 1 . . . . 102 LEU CA . 15995 1 872 . 1 1 72 72 LEU CB C 13 39.5 0.3 . 1 . . . . 102 LEU CB . 15995 1 873 . 1 1 72 72 LEU CD1 C 13 20.9 0.3 . 1 . . . . 102 LEU CD1 . 15995 1 874 . 1 1 72 72 LEU CD2 C 13 22.8 0.3 . 1 . . . . 102 LEU CD2 . 15995 1 875 . 1 1 72 72 LEU CG C 13 24.0 0.3 . 1 . . . . 102 LEU CG . 15995 1 876 . 1 1 72 72 LEU N N 15 121.0 0.3 . 1 . . . . 102 LEU N . 15995 1 877 . 1 1 73 73 LEU H H 1 7.87 0.02 . 1 . . . . 103 LEU H . 15995 1 878 . 1 1 73 73 LEU HA H 1 4.03 0.02 . 1 . . . . 103 LEU HA . 15995 1 879 . 1 1 73 73 LEU HB2 H 1 1.56 0.02 . 2 . . . . 103 LEU HB2 . 15995 1 880 . 1 1 73 73 LEU HB3 H 1 1.65 0.02 . 2 . . . . 103 LEU HB3 . 15995 1 881 . 1 1 73 73 LEU HD11 H 1 0.75 0.02 . 1 . . . . 103 LEU HD1 . 15995 1 882 . 1 1 73 73 LEU HD12 H 1 0.75 0.02 . 1 . . . . 103 LEU HD1 . 15995 1 883 . 1 1 73 73 LEU HD13 H 1 0.75 0.02 . 1 . . . . 103 LEU HD1 . 15995 1 884 . 1 1 73 73 LEU HD21 H 1 0.77 0.02 . 1 . . . . 103 LEU HD2 . 15995 1 885 . 1 1 73 73 LEU HD22 H 1 0.77 0.02 . 1 . . . . 103 LEU HD2 . 15995 1 886 . 1 1 73 73 LEU HD23 H 1 0.77 0.02 . 1 . . . . 103 LEU HD2 . 15995 1 887 . 1 1 73 73 LEU HG H 1 1.62 0.02 . 1 . . . . 103 LEU HG . 15995 1 888 . 1 1 73 73 LEU C C 13 176.2 0.3 . 1 . . . . 103 LEU C . 15995 1 889 . 1 1 73 73 LEU CA C 13 54.5 0.3 . 1 . . . . 103 LEU CA . 15995 1 890 . 1 1 73 73 LEU CB C 13 39.2 0.3 . 1 . . . . 103 LEU CB . 15995 1 891 . 1 1 73 73 LEU CD1 C 13 21.1 0.3 . 1 . . . . 103 LEU CD1 . 15995 1 892 . 1 1 73 73 LEU CD2 C 13 22.4 0.3 . 1 . . . . 103 LEU CD2 . 15995 1 893 . 1 1 73 73 LEU CG C 13 24.4 0.3 . 1 . . . . 103 LEU CG . 15995 1 894 . 1 1 73 73 LEU N N 15 116.9 0.3 . 1 . . . . 103 LEU N . 15995 1 895 . 1 1 74 74 SER H H 1 7.78 0.02 . 1 . . . . 104 SER H . 15995 1 896 . 1 1 74 74 SER HA H 1 4.23 0.02 . 1 . . . . 104 SER HA . 15995 1 897 . 1 1 74 74 SER HB2 H 1 3.86 0.02 . 1 . . . . 104 SER HB2 . 15995 1 898 . 1 1 74 74 SER C C 13 172.8 0.3 . 1 . . . . 104 SER C . 15995 1 899 . 1 1 74 74 SER CA C 13 57.9 0.3 . 1 . . . . 104 SER CA . 15995 1 900 . 1 1 74 74 SER CB C 13 60.8 0.3 . 1 . . . . 104 SER CB . 15995 1 901 . 1 1 74 74 SER N N 15 113.2 0.3 . 1 . . . . 104 SER N . 15995 1 902 . 1 1 75 75 ASN H H 1 7.72 0.02 . 1 . . . . 105 ASN H . 15995 1 903 . 1 1 75 75 ASN HA H 1 4.53 0.02 . 1 . . . . 105 ASN HA . 15995 1 904 . 1 1 75 75 ASN HB2 H 1 2.38 0.02 . 2 . . . . 105 ASN HB2 . 15995 1 905 . 1 1 75 75 ASN HB3 H 1 2.48 0.02 . 2 . . . . 105 ASN HB3 . 15995 1 906 . 1 1 75 75 ASN C C 13 173.1 0.3 . 1 . . . . 105 ASN C . 15995 1 907 . 1 1 75 75 ASN CA C 13 51.8 0.3 . 1 . . . . 105 ASN CA . 15995 1 908 . 1 1 75 75 ASN CB C 13 36.6 0.3 . 1 . . . . 105 ASN CB . 15995 1 909 . 1 1 75 75 ASN N N 15 118.4 0.3 . 1 . . . . 105 ASN N . 15995 1 910 . 1 1 76 76 TYR H H 1 7.72 0.02 . 1 . . . . 106 TYR H . 15995 1 911 . 1 1 76 76 TYR HA H 1 4.38 0.02 . 1 . . . . 106 TYR HA . 15995 1 912 . 1 1 76 76 TYR HB2 H 1 2.88 0.02 . 2 . . . . 106 TYR HB2 . 15995 1 913 . 1 1 76 76 TYR HB3 H 1 3.08 0.02 . 2 . . . . 106 TYR HB3 . 15995 1 914 . 1 1 76 76 TYR HD1 H 1 7.03 0.02 . 1 . . . . 106 TYR HD1 . 15995 1 915 . 1 1 76 76 TYR HE1 H 1 6.69 0.02 . 1 . . . . 106 TYR HE1 . 15995 1 916 . 1 1 76 76 TYR C C 13 173.0 0.3 . 1 . . . . 106 TYR C . 15995 1 917 . 1 1 76 76 TYR CA C 13 56.7 0.3 . 1 . . . . 106 TYR CA . 15995 1 918 . 1 1 76 76 TYR CB C 13 36.1 0.3 . 1 . . . . 106 TYR CB . 15995 1 919 . 1 1 76 76 TYR CD1 C 13 130.6 0.3 . 1 . . . . 106 TYR CD1 . 15995 1 920 . 1 1 76 76 TYR CE1 C 13 115.6 0.3 . 1 . . . . 106 TYR CE1 . 15995 1 921 . 1 1 76 76 TYR N N 15 118.9 0.3 . 1 . . . . 106 TYR N . 15995 1 922 . 1 1 77 77 SER H H 1 7.65 0.02 . 1 . . . . 107 SER H . 15995 1 923 . 1 1 77 77 SER HA H 1 4.33 0.02 . 1 . . . . 107 SER HA . 15995 1 924 . 1 1 77 77 SER HB2 H 1 3.73 0.02 . 2 . . . . 107 SER HB2 . 15995 1 925 . 1 1 77 77 SER HB3 H 1 3.81 0.02 . 2 . . . . 107 SER HB3 . 15995 1 926 . 1 1 77 77 SER C C 13 171.8 0.3 . 1 . . . . 107 SER C . 15995 1 927 . 1 1 77 77 SER CA C 13 55.8 0.3 . 1 . . . . 107 SER CA . 15995 1 928 . 1 1 77 77 SER CB C 13 61.4 0.3 . 1 . . . . 107 SER CB . 15995 1 929 . 1 1 77 77 SER N N 15 114.3 0.3 . 1 . . . . 107 SER N . 15995 1 930 . 1 1 78 78 SER H H 1 7.94 0.02 . 1 . . . . 108 SER H . 15995 1 931 . 1 1 78 78 SER HA H 1 4.44 0.02 . 1 . . . . 108 SER HA . 15995 1 932 . 1 1 78 78 SER HB2 H 1 3.84 0.02 . 1 . . . . 108 SER HB2 . 15995 1 933 . 1 1 78 78 SER C C 13 171.9 0.3 . 1 . . . . 108 SER C . 15995 1 934 . 1 1 78 78 SER CA C 13 55.8 0.3 . 1 . . . . 108 SER CA . 15995 1 935 . 1 1 78 78 SER CB C 13 61.2 0.3 . 1 . . . . 108 SER CB . 15995 1 936 . 1 1 78 78 SER N N 15 116.6 0.3 . 1 . . . . 108 SER N . 15995 1 937 . 1 1 79 79 VAL H H 1 7.85 0.02 . 1 . . . . 109 VAL H . 15995 1 938 . 1 1 79 79 VAL HA H 1 4.17 0.02 . 1 . . . . 109 VAL HA . 15995 1 939 . 1 1 79 79 VAL HB H 1 2.10 0.02 . 1 . . . . 109 VAL HB . 15995 1 940 . 1 1 79 79 VAL HG21 H 1 0.88 0.02 . 1 . . . . 109 VAL HG2 . 15995 1 941 . 1 1 79 79 VAL HG22 H 1 0.88 0.02 . 1 . . . . 109 VAL HG2 . 15995 1 942 . 1 1 79 79 VAL HG23 H 1 0.88 0.02 . 1 . . . . 109 VAL HG2 . 15995 1 943 . 1 1 79 79 VAL C C 13 172.9 0.3 . 1 . . . . 109 VAL C . 15995 1 944 . 1 1 79 79 VAL CA C 13 59.9 0.3 . 1 . . . . 109 VAL CA . 15995 1 945 . 1 1 79 79 VAL CB C 13 29.9 0.3 . 1 . . . . 109 VAL CB . 15995 1 946 . 1 1 79 79 VAL CG1 C 13 17.7 0.3 . 1 . . . . 109 VAL CG1 . 15995 1 947 . 1 1 79 79 VAL CG2 C 13 18.7 0.3 . 1 . . . . 109 VAL CG2 . 15995 1 948 . 1 1 79 79 VAL N N 15 120.2 0.3 . 1 . . . . 109 VAL N . 15995 1 949 . 1 1 80 80 THR H H 1 7.52 0.02 . 1 . . . . 110 THR H . 15995 1 950 . 1 1 80 80 THR HA H 1 4.11 0.02 . 1 . . . . 110 THR HA . 15995 1 951 . 1 1 80 80 THR HB H 1 4.14 0.02 . 1 . . . . 110 THR HB . 15995 1 952 . 1 1 80 80 THR HG21 H 1 1.08 0.02 . 1 . . . . 110 THR HG2 . 15995 1 953 . 1 1 80 80 THR HG22 H 1 1.08 0.02 . 1 . . . . 110 THR HG2 . 15995 1 954 . 1 1 80 80 THR HG23 H 1 1.08 0.02 . 1 . . . . 110 THR HG2 . 15995 1 955 . 1 1 80 80 THR C C 13 176.5 0.3 . 1 . . . . 110 THR C . 15995 1 956 . 1 1 80 80 THR CA C 13 60.3 0.3 . 1 . . . . 110 THR CA . 15995 1 957 . 1 1 80 80 THR CB C 13 68.1 0.3 . 1 . . . . 110 THR CB . 15995 1 958 . 1 1 80 80 THR CG2 C 13 19.3 0.3 . 1 . . . . 110 THR CG2 . 15995 1 959 . 1 1 80 80 THR N N 15 121.0 0.3 . 1 . . . . 110 THR N . 15995 1 stop_ save_