data_19641 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19641 _Entry.Title ; 3rCWP7D, variant of Imunoglobulin light-chain of lambda 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-27 _Entry.Accession_date 2013-11-27 _Entry.Last_release_date 2015-04-15 _Entry.Original_release_date 2015-04-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paloma Gil-Rodriguez . C. . 19641 2 Carlos Amero . D. . 19641 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'UNIVERSIDAD AUTONOMA DEL ESTADO DE MORELOS' . 19641 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19641 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 19641 '15N chemical shifts' 107 19641 '1H chemical shifts' 549 19641 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-04-15 . original BMRB . 19641 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19671 '3rC34Y, variant of Imunoglobulin light-chain of lambda 3' 19641 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 19641 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24816896 _Citation.Full_citation . _Citation.Title ; (1)H, (15)N and (13)C resonance assignments for 3rC and 3rCWP: amyloidogenic variants of imunoglobulin lambda 3 light-chain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _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 139 _Citation.Page_last 142 _Citation.Year 2015 _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 Paloma Gil-Rodriguez . C. . 19641 1 2 Carlos Amero . D. . 19641 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19641 _Assembly.ID 1 _Assembly.Name 3rCWP7D _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 3rCWP7D 1 $3rCWP7D A . yes native no no . . . 19641 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 19641 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_3rCWP7D _Entity.Sf_category entity _Entity.Sf_framecode 3rCWP7D _Entity.Entry_ID 19641 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 3rCWP7D _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SYELTQDPSVSVSPGQTASI TCSGDKLGDKYAYWYQQKPG QSPVLVIYQDSKRPSGIPER FSGSNSGNTATLTISGTQAM DEADYYCQAADSSGAVVFGG GTKLTVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'germinal line lambda 3' _Entity.Mutation ; C35Y W90A P8D ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _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 1 no BMRB 19671 . 3rC34Y . . . . . 100.00 107 97.20 97.20 1.73e-66 . . . . 19641 1 2 no PDB 4AIX . "Crystallographic Structure Of An Amyloidogenic Variant, 3rc34y, Of The Germinal Line Lambda 3" . . . . . 100.00 107 97.20 97.20 1.73e-66 . . . . 19641 1 3 no PDB 4AJ0 . "Crystallographic Structure Of An Amyloidogenic Variant, 3rcw, Of The Germinal Line Lambda 3" . . . . . 100.00 107 98.13 98.13 1.25e-67 . . . . 19641 1 4 no GB AAR02898 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 71.03 78 97.37 97.37 1.21e-44 . . . . 19641 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 0 SER . 19641 1 2 1 TYR . 19641 1 3 2 GLU . 19641 1 4 3 LEU . 19641 1 5 4 THR . 19641 1 6 5 GLN . 19641 1 7 6 ASP . 19641 1 8 7 PRO . 19641 1 9 8 SER . 19641 1 10 9 VAL . 19641 1 11 10 SER . 19641 1 12 11 VAL . 19641 1 13 12 SER . 19641 1 14 13 PRO . 19641 1 15 14 GLY . 19641 1 16 15 GLN . 19641 1 17 16 THR . 19641 1 18 17 ALA . 19641 1 19 18 SER . 19641 1 20 19 ILE . 19641 1 21 20 THR . 19641 1 22 21 CYS . 19641 1 23 22 SER . 19641 1 24 23 GLY . 19641 1 25 24 ASP . 19641 1 26 25 LYS . 19641 1 27 26 LEU . 19641 1 28 27 GLY . 19641 1 29 28 ASP . 19641 1 30 29 LYS . 19641 1 31 30 TYR . 19641 1 32 31 ALA . 19641 1 33 32 TYR . 19641 1 34 33 TRP . 19641 1 35 34 TYR . 19641 1 36 35 GLN . 19641 1 37 36 GLN . 19641 1 38 37 LYS . 19641 1 39 38 PRO . 19641 1 40 39 GLY . 19641 1 41 40 GLN . 19641 1 42 41 SER . 19641 1 43 42 PRO . 19641 1 44 43 VAL . 19641 1 45 44 LEU . 19641 1 46 45 VAL . 19641 1 47 46 ILE . 19641 1 48 47 TYR . 19641 1 49 48 GLN . 19641 1 50 49 ASP . 19641 1 51 50 SER . 19641 1 52 51 LYS . 19641 1 53 52 ARG . 19641 1 54 53 PRO . 19641 1 55 54 SER . 19641 1 56 55 GLY . 19641 1 57 56 ILE . 19641 1 58 57 PRO . 19641 1 59 58 GLU . 19641 1 60 59 ARG . 19641 1 61 60 PHE . 19641 1 62 61 SER . 19641 1 63 62 GLY . 19641 1 64 63 SER . 19641 1 65 64 ASN . 19641 1 66 65 SER . 19641 1 67 66 GLY . 19641 1 68 67 ASN . 19641 1 69 68 THR . 19641 1 70 69 ALA . 19641 1 71 70 THR . 19641 1 72 71 LEU . 19641 1 73 72 THR . 19641 1 74 73 ILE . 19641 1 75 74 SER . 19641 1 76 75 GLY . 19641 1 77 76 THR . 19641 1 78 77 GLN . 19641 1 79 78 ALA . 19641 1 80 79 MET . 19641 1 81 80 ASP . 19641 1 82 81 GLU . 19641 1 83 82 ALA . 19641 1 84 83 ASP . 19641 1 85 84 TYR . 19641 1 86 85 TYR . 19641 1 87 86 CYS . 19641 1 88 87 GLN . 19641 1 89 88 ALA . 19641 1 90 89 ALA . 19641 1 91 90 ASP . 19641 1 92 91 SER . 19641 1 93 92 SER . 19641 1 94 93 GLY . 19641 1 95 94 ALA . 19641 1 96 95 VAL . 19641 1 97 96 VAL . 19641 1 98 97 PHE . 19641 1 99 98 GLY . 19641 1 100 99 GLY . 19641 1 101 100 GLY . 19641 1 102 101 THR . 19641 1 103 102 LYS . 19641 1 104 103 LEU . 19641 1 105 104 THR . 19641 1 106 105 VAL . 19641 1 107 106 LEU . 19641 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 . SER 1 1 19641 1 . TYR 2 2 19641 1 . GLU 3 3 19641 1 . LEU 4 4 19641 1 . THR 5 5 19641 1 . GLN 6 6 19641 1 . ASP 7 7 19641 1 . PRO 8 8 19641 1 . SER 9 9 19641 1 . VAL 10 10 19641 1 . SER 11 11 19641 1 . VAL 12 12 19641 1 . SER 13 13 19641 1 . PRO 14 14 19641 1 . GLY 15 15 19641 1 . GLN 16 16 19641 1 . THR 17 17 19641 1 . ALA 18 18 19641 1 . SER 19 19 19641 1 . ILE 20 20 19641 1 . THR 21 21 19641 1 . CYS 22 22 19641 1 . SER 23 23 19641 1 . GLY 24 24 19641 1 . ASP 25 25 19641 1 . LYS 26 26 19641 1 . LEU 27 27 19641 1 . GLY 28 28 19641 1 . ASP 29 29 19641 1 . LYS 30 30 19641 1 . TYR 31 31 19641 1 . ALA 32 32 19641 1 . TYR 33 33 19641 1 . TRP 34 34 19641 1 . TYR 35 35 19641 1 . GLN 36 36 19641 1 . GLN 37 37 19641 1 . LYS 38 38 19641 1 . PRO 39 39 19641 1 . GLY 40 40 19641 1 . GLN 41 41 19641 1 . SER 42 42 19641 1 . PRO 43 43 19641 1 . VAL 44 44 19641 1 . LEU 45 45 19641 1 . VAL 46 46 19641 1 . ILE 47 47 19641 1 . TYR 48 48 19641 1 . GLN 49 49 19641 1 . ASP 50 50 19641 1 . SER 51 51 19641 1 . LYS 52 52 19641 1 . ARG 53 53 19641 1 . PRO 54 54 19641 1 . SER 55 55 19641 1 . GLY 56 56 19641 1 . ILE 57 57 19641 1 . PRO 58 58 19641 1 . GLU 59 59 19641 1 . ARG 60 60 19641 1 . PHE 61 61 19641 1 . SER 62 62 19641 1 . GLY 63 63 19641 1 . SER 64 64 19641 1 . ASN 65 65 19641 1 . SER 66 66 19641 1 . GLY 67 67 19641 1 . ASN 68 68 19641 1 . THR 69 69 19641 1 . ALA 70 70 19641 1 . THR 71 71 19641 1 . LEU 72 72 19641 1 . THR 73 73 19641 1 . ILE 74 74 19641 1 . SER 75 75 19641 1 . GLY 76 76 19641 1 . THR 77 77 19641 1 . GLN 78 78 19641 1 . ALA 79 79 19641 1 . MET 80 80 19641 1 . ASP 81 81 19641 1 . GLU 82 82 19641 1 . ALA 83 83 19641 1 . ASP 84 84 19641 1 . TYR 85 85 19641 1 . TYR 86 86 19641 1 . CYS 87 87 19641 1 . GLN 88 88 19641 1 . ALA 89 89 19641 1 . ALA 90 90 19641 1 . ASP 91 91 19641 1 . SER 92 92 19641 1 . SER 93 93 19641 1 . GLY 94 94 19641 1 . ALA 95 95 19641 1 . VAL 96 96 19641 1 . VAL 97 97 19641 1 . PHE 98 98 19641 1 . GLY 99 99 19641 1 . GLY 100 100 19641 1 . GLY 101 101 19641 1 . THR 102 102 19641 1 . LYS 103 103 19641 1 . LEU 104 104 19641 1 . THR 105 105 19641 1 . VAL 106 106 19641 1 . LEU 107 107 19641 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 19641 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $3rCWP7D . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19641 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 19641 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $3rCWP7D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-22b . . . 19641 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19641 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details N15 _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 3rCWP7D [U-15N] . . 1 $3rCWP7D . . 1 . . mM 0.3 . . . 19641 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19641 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19641 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19641 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19641 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19641 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N15 C13' _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 3rCWP7D '[U-13C; U-15N]' . . 1 $3rCWP7D . . 1 . . mM 0.3 . . . 19641 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19641 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19641 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19641 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19641 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19641 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 19641 1 pH 6 . pH 19641 1 temperature 298 . K 19641 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19641 _Software.ID 1 _Software.Name NMRPipe _Software.Version 7.9 _Software.Details processing loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19641 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19641 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19641 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details 'Data analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19641 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19641 2 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 19641 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19641 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 700 'with cryo probe' . . 19641 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 19641 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19641 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19641 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19641 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19641 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19641 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19641 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19641 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 19641 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19641 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19641 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19641 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 19641 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19641 1 2 '3D 1H-15N TOCSY' 1 $sample_1 . 19641 1 3 '3D 1H-15N NOESY' 1 $sample_1 . 19641 1 4 '3D HNCO' 2 $sample_2 . 19641 1 5 '3D HNCACB' 2 $sample_2 . 19641 1 6 '3D C(CO)NH' 2 $sample_2 . 19641 1 7 '3D HCCH-TOCSY' 2 $sample_2 . 19641 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 TYR C C 13 176.4 0.3 . 1 . . . . 1 TYR C . 19641 1 2 . 1 1 2 2 TYR CA C 13 63.6 0.3 . 1 . . . . 1 TYR CA . 19641 1 3 . 1 1 2 2 TYR CB C 13 33.2 0.3 . 1 . . . . 1 TYR CB . 19641 1 4 . 1 1 3 3 GLU H H 1 8.81 0.02 . 1 . . . . 2 GLU H . 19641 1 5 . 1 1 3 3 GLU HA H 1 3.86 0.02 . 1 . . . . 2 GLU HA . 19641 1 6 . 1 1 3 3 GLU HB2 H 1 2.03 0.02 . 2 . . . . 2 GLU HB2 . 19641 1 7 . 1 1 3 3 GLU HB3 H 1 2.06 0.02 . 2 . . . . 2 GLU HB3 . 19641 1 8 . 1 1 3 3 GLU HG2 H 1 2.32 0.02 . 2 . . . . 2 GLU HG2 . 19641 1 9 . 1 1 3 3 GLU HG3 H 1 2.34 0.02 . 2 . . . . 2 GLU HG3 . 19641 1 10 . 1 1 3 3 GLU CA C 13 58.4 0.3 . 1 . . . . 2 GLU CA . 19641 1 11 . 1 1 3 3 GLU CB C 13 29 0.3 . 1 . . . . 2 GLU CB . 19641 1 12 . 1 1 3 3 GLU N N 15 119.1 0.3 . 1 . . . . 2 GLU N . 19641 1 13 . 1 1 5 5 THR H H 1 9.43 0.02 . 1 . . . . 4 THR H . 19641 1 14 . 1 1 5 5 THR HA H 1 4.48 0.02 . 1 . . . . 4 THR HA . 19641 1 15 . 1 1 5 5 THR HB H 1 4.06 0.02 . 1 . . . . 4 THR HB . 19641 1 16 . 1 1 5 5 THR HG21 H 1 1.17 0.02 . 1 . . . . 4 THR HG21 . 19641 1 17 . 1 1 5 5 THR HG22 H 1 1.17 0.02 . 1 . . . . 4 THR HG22 . 19641 1 18 . 1 1 5 5 THR HG23 H 1 1.17 0.02 . 1 . . . . 4 THR HG23 . 19641 1 19 . 1 1 5 5 THR C C 13 174.2 0.3 . 1 . . . . 4 THR C . 19641 1 20 . 1 1 5 5 THR CA C 13 62.7 0.3 . 1 . . . . 4 THR CA . 19641 1 21 . 1 1 5 5 THR CB C 13 70 0.3 . 1 . . . . 4 THR CB . 19641 1 22 . 1 1 5 5 THR CG2 C 13 21.6 0.3 . 1 . . . . 4 THR CG2 . 19641 1 23 . 1 1 5 5 THR N N 15 118.1 0.3 . 1 . . . . 4 THR N . 19641 1 24 . 1 1 6 6 GLN H H 1 8.86 0.02 . 1 . . . . 5 GLN H . 19641 1 25 . 1 1 6 6 GLN HA H 1 5.14 0.02 . 1 . . . . 5 GLN HA . 19641 1 26 . 1 1 6 6 GLN HB2 H 1 1.71 0.02 . 2 . . . . 5 GLN HB2 . 19641 1 27 . 1 1 6 6 GLN HB3 H 1 1.79 0.02 . 2 . . . . 5 GLN HB3 . 19641 1 28 . 1 1 6 6 GLN HG2 H 1 2.11 0.02 . 2 . . . . 5 GLN HG2 . 19641 1 29 . 1 1 6 6 GLN HG3 H 1 2.18 0.02 . 2 . . . . 5 GLN HG3 . 19641 1 30 . 1 1 6 6 GLN C C 13 175.6 0.3 . 1 . . . . 5 GLN C . 19641 1 31 . 1 1 6 6 GLN CA C 13 54.1 0.3 . 1 . . . . 5 GLN CA . 19641 1 32 . 1 1 6 6 GLN CB C 13 33.3 0.3 . 1 . . . . 5 GLN CB . 19641 1 33 . 1 1 6 6 GLN CG C 13 36.7 0.3 . 1 . . . . 5 GLN CG . 19641 1 34 . 1 1 6 6 GLN N N 15 125.6 0.3 . 1 . . . . 5 GLN N . 19641 1 35 . 1 1 7 7 ASP H H 1 8.96 0.02 . 1 . . . . 6 ASP H . 19641 1 36 . 1 1 7 7 ASP HA H 1 4.82 0.02 . 1 . . . . 6 ASP HA . 19641 1 37 . 1 1 7 7 ASP HB2 H 1 2.78 0.02 . 2 . . . . 6 ASP HB2 . 19641 1 38 . 1 1 7 7 ASP HB3 H 1 2.49 0.02 . 2 . . . . 6 ASP HB3 . 19641 1 39 . 1 1 7 7 ASP CA C 13 53 0.3 . 1 . . . . 6 ASP CA . 19641 1 40 . 1 1 7 7 ASP CB C 13 40.6 0.3 . 1 . . . . 6 ASP CB . 19641 1 41 . 1 1 7 7 ASP N N 15 125 0.3 . 1 . . . . 6 ASP N . 19641 1 42 . 1 1 8 8 PRO HA H 1 4.58 0.02 . 1 . . . . 7 PRO HA . 19641 1 43 . 1 1 8 8 PRO HB2 H 1 2.18 0.02 . 2 . . . . 7 PRO HB2 . 19641 1 44 . 1 1 8 8 PRO HB3 H 1 2.78 0.02 . 2 . . . . 7 PRO HB3 . 19641 1 45 . 1 1 8 8 PRO C C 13 178.3 0.3 . 1 . . . . 7 PRO C . 19641 1 46 . 1 1 8 8 PRO CA C 13 65.1 0.3 . 1 . . . . 7 PRO CA . 19641 1 47 . 1 1 8 8 PRO CB C 13 31.9 0.3 . 1 . . . . 7 PRO CB . 19641 1 48 . 1 1 8 8 PRO CG C 13 27.5 0.3 . 1 . . . . 7 PRO CG . 19641 1 49 . 1 1 9 9 SER H H 1 7.77 0.02 . 1 . . . . 8 SER H . 19641 1 50 . 1 1 9 9 SER HA H 1 5.34 0.02 . 1 . . . . 8 SER HA . 19641 1 51 . 1 1 9 9 SER HB2 H 1 3.89 0.02 . 2 . . . . 8 SER HB2 . 19641 1 52 . 1 1 9 9 SER HB3 H 1 3.82 0.02 . 2 . . . . 8 SER HB3 . 19641 1 53 . 1 1 9 9 SER C C 13 172.3 0.3 . 1 . . . . 8 SER C . 19641 1 54 . 1 1 9 9 SER CA C 13 57 0.3 . 1 . . . . 8 SER CA . 19641 1 55 . 1 1 9 9 SER CB C 13 64.9 0.3 . 1 . . . . 8 SER CB . 19641 1 56 . 1 1 9 9 SER N N 15 110.4 0.3 . 1 . . . . 8 SER N . 19641 1 57 . 1 1 10 10 VAL H H 1 8.69 0.02 . 1 . . . . 9 VAL H . 19641 1 58 . 1 1 10 10 VAL HA H 1 4.31 0.02 . 1 . . . . 9 VAL HA . 19641 1 59 . 1 1 10 10 VAL HB H 1 1.75 0.02 . 1 . . . . 9 VAL HB . 19641 1 60 . 1 1 10 10 VAL HG11 H 1 1.04 0.02 . 1 . . . . 9 VAL HG11 . 19641 1 61 . 1 1 10 10 VAL HG12 H 1 1.04 0.02 . 1 . . . . 9 VAL HG12 . 19641 1 62 . 1 1 10 10 VAL HG13 H 1 1.04 0.02 . 1 . . . . 9 VAL HG13 . 19641 1 63 . 1 1 10 10 VAL HG21 H 1 0.89 0.02 . 1 . . . . 9 VAL HG21 . 19641 1 64 . 1 1 10 10 VAL HG22 H 1 0.89 0.02 . 1 . . . . 9 VAL HG22 . 19641 1 65 . 1 1 10 10 VAL HG23 H 1 0.89 0.02 . 1 . . . . 9 VAL HG23 . 19641 1 66 . 1 1 10 10 VAL C C 13 173.4 0.3 . 1 . . . . 9 VAL C . 19641 1 67 . 1 1 10 10 VAL CA C 13 61.7 0.3 . 1 . . . . 9 VAL CA . 19641 1 68 . 1 1 10 10 VAL CB C 13 36.3 0.3 . 1 . . . . 9 VAL CB . 19641 1 69 . 1 1 10 10 VAL CG1 C 13 22 0.3 . 1 . . . . 9 VAL CG1 . 19641 1 70 . 1 1 10 10 VAL CG2 C 13 20.8 0.3 . 1 . . . . 9 VAL CG2 . 19641 1 71 . 1 1 10 10 VAL N N 15 124.6 0.3 . 1 . . . . 9 VAL N . 19641 1 72 . 1 1 11 11 SER H H 1 8.55 0.02 . 1 . . . . 10 SER H . 19641 1 73 . 1 1 11 11 SER HA H 1 5.78 0.02 . 1 . . . . 10 SER HA . 19641 1 74 . 1 1 11 11 SER HB2 H 1 3.69 0.02 . 2 . . . . 10 SER HB2 . 19641 1 75 . 1 1 11 11 SER HB3 H 1 3.62 0.02 . 2 . . . . 10 SER HB3 . 19641 1 76 . 1 1 11 11 SER C C 13 173.8 0.3 . 1 . . . . 10 SER C . 19641 1 77 . 1 1 11 11 SER CA C 13 56.1 0.3 . 1 . . . . 10 SER CA . 19641 1 78 . 1 1 11 11 SER CB C 13 65.2 0.3 . 1 . . . . 10 SER CB . 19641 1 79 . 1 1 11 11 SER N N 15 121.3 0.3 . 1 . . . . 10 SER N . 19641 1 80 . 1 1 12 12 VAL H H 1 8.58 0.02 . 1 . . . . 11 VAL H . 19641 1 81 . 1 1 12 12 VAL HA H 1 4.75 0.02 . 1 . . . . 11 VAL HA . 19641 1 82 . 1 1 12 12 VAL HB H 1 2.19 0.02 . 1 . . . . 11 VAL HB . 19641 1 83 . 1 1 12 12 VAL HG11 H 1 0.75 0.02 . 1 . . . . 11 VAL HG11 . 19641 1 84 . 1 1 12 12 VAL HG12 H 1 0.75 0.02 . 1 . . . . 11 VAL HG12 . 19641 1 85 . 1 1 12 12 VAL HG13 H 1 0.75 0.02 . 1 . . . . 11 VAL HG13 . 19641 1 86 . 1 1 12 12 VAL HG21 H 1 0.83 0.02 . 1 . . . . 11 VAL HG21 . 19641 1 87 . 1 1 12 12 VAL HG22 H 1 0.83 0.02 . 1 . . . . 11 VAL HG22 . 19641 1 88 . 1 1 12 12 VAL HG23 H 1 0.83 0.02 . 1 . . . . 11 VAL HG23 . 19641 1 89 . 1 1 12 12 VAL C C 13 173.7 0.3 . 1 . . . . 11 VAL C . 19641 1 90 . 1 1 12 12 VAL CA C 13 58.8 0.3 . 1 . . . . 11 VAL CA . 19641 1 91 . 1 1 12 12 VAL CB C 13 36.1 0.3 . 1 . . . . 11 VAL CB . 19641 1 92 . 1 1 12 12 VAL CG1 C 13 19.3 0.3 . 1 . . . . 11 VAL CG1 . 19641 1 93 . 1 1 12 12 VAL CG2 C 13 21.7 0.3 . 1 . . . . 11 VAL CG2 . 19641 1 94 . 1 1 12 12 VAL N N 15 118.7 0.3 . 1 . . . . 11 VAL N . 19641 1 95 . 1 1 13 13 SER H H 1 8.27 0.02 . 1 . . . . 12 SER H . 19641 1 96 . 1 1 13 13 SER HA H 1 4.95 0.02 . 1 . . . . 12 SER HA . 19641 1 97 . 1 1 13 13 SER HB2 H 1 3.5 0.02 . 2 . . . . 12 SER HB2 . 19641 1 98 . 1 1 13 13 SER HB3 H 1 3.86 0.02 . 2 . . . . 12 SER HB3 . 19641 1 99 . 1 1 13 13 SER CA C 13 56.8 0.3 . 1 . . . . 12 SER CA . 19641 1 100 . 1 1 13 13 SER CB C 13 62.4 0.3 . 1 . . . . 12 SER CB . 19641 1 101 . 1 1 13 13 SER N N 15 118.3 0.3 . 1 . . . . 12 SER N . 19641 1 102 . 1 1 14 14 PRO HA H 1 4.03 0.02 . 1 . . . . 13 PRO HA . 19641 1 103 . 1 1 14 14 PRO C C 13 177.9 0.3 . 1 . . . . 13 PRO C . 19641 1 104 . 1 1 14 14 PRO CA C 13 63.8 0.3 . 1 . . . . 13 PRO CA . 19641 1 105 . 1 1 14 14 PRO CB C 13 31 0.3 . 1 . . . . 13 PRO CB . 19641 1 106 . 1 1 14 14 PRO CG C 13 27.9 0.3 . 1 . . . . 13 PRO CG . 19641 1 107 . 1 1 15 15 GLY H H 1 9.75 0.02 . 1 . . . . 14 GLY H . 19641 1 108 . 1 1 15 15 GLY HA2 H 1 3.25 0.02 . 2 . . . . 14 GLY HA2 . 19641 1 109 . 1 1 15 15 GLY HA3 H 1 4.32 0.02 . 2 . . . . 14 GLY HA3 . 19641 1 110 . 1 1 15 15 GLY C C 13 174.5 0.3 . 1 . . . . 14 GLY C . 19641 1 111 . 1 1 15 15 GLY CA C 13 44.9 0.3 . 1 . . . . 14 GLY CA . 19641 1 112 . 1 1 15 15 GLY N N 15 113.5 0.3 . 1 . . . . 14 GLY N . 19641 1 113 . 1 1 16 16 GLN H H 1 7.99 0.02 . 1 . . . . 15 GLN H . 19641 1 114 . 1 1 16 16 GLN HA H 1 4.4 0.02 . 1 . . . . 15 GLN HA . 19641 1 115 . 1 1 16 16 GLN HB2 H 1 2.23 0.02 . 2 . . . . 15 GLN HB2 . 19641 1 116 . 1 1 16 16 GLN HB3 H 1 2.18 0.02 . 2 . . . . 15 GLN HB3 . 19641 1 117 . 1 1 16 16 GLN HG2 H 1 2.37 0.02 . 1 . . . . 15 GLN HG2 . 19641 1 118 . 1 1 16 16 GLN HG3 H 1 2.37 0.02 . 1 . . . . 15 GLN HG3 . 19641 1 119 . 1 1 16 16 GLN HE21 H 1 7.59 0.02 . 1 . . . . 15 GLN HE21 . 19641 1 120 . 1 1 16 16 GLN HE22 H 1 6.98 0.02 . 1 . . . . 15 GLN HE22 . 19641 1 121 . 1 1 16 16 GLN C C 13 175.5 0.3 . 1 . . . . 15 GLN C . 19641 1 122 . 1 1 16 16 GLN CA C 13 55 0.3 . 1 . . . . 15 GLN CA . 19641 1 123 . 1 1 16 16 GLN CB C 13 29.5 0.3 . 1 . . . . 15 GLN CB . 19641 1 124 . 1 1 16 16 GLN CG C 13 34.2 0.3 . 1 . . . . 15 GLN CG . 19641 1 125 . 1 1 16 16 GLN N N 15 120.8 0.3 . 1 . . . . 15 GLN N . 19641 1 126 . 1 1 16 16 GLN NE2 N 15 110.5 0.3 . 1 . . . . 15 GLN NE2 . 19641 1 127 . 1 1 17 17 THR H H 1 8.88 0.02 . 1 . . . . 16 THR H . 19641 1 128 . 1 1 17 17 THR HA H 1 4.89 0.02 . 1 . . . . 16 THR HA . 19641 1 129 . 1 1 17 17 THR HB H 1 3.91 0.02 . 1 . . . . 16 THR HB . 19641 1 130 . 1 1 17 17 THR HG21 H 1 0.86 0.02 . 1 . . . . 16 THR HG21 . 19641 1 131 . 1 1 17 17 THR HG22 H 1 0.86 0.02 . 1 . . . . 16 THR HG22 . 19641 1 132 . 1 1 17 17 THR HG23 H 1 0.86 0.02 . 1 . . . . 16 THR HG23 . 19641 1 133 . 1 1 17 17 THR C C 13 173.5 0.3 . 1 . . . . 16 THR C . 19641 1 134 . 1 1 17 17 THR CA C 13 62.4 0.3 . 1 . . . . 16 THR CA . 19641 1 135 . 1 1 17 17 THR CB C 13 69.5 0.3 . 1 . . . . 16 THR CB . 19641 1 136 . 1 1 17 17 THR CG2 C 13 21.1 0.3 . 1 . . . . 16 THR CG2 . 19641 1 137 . 1 1 17 17 THR N N 15 121 0.3 . 1 . . . . 16 THR N . 19641 1 138 . 1 1 18 18 ALA H H 1 9.05 0.02 . 1 . . . . 17 ALA H . 19641 1 139 . 1 1 18 18 ALA HA H 1 4.58 0.02 . 1 . . . . 17 ALA HA . 19641 1 140 . 1 1 18 18 ALA HB1 H 1 1.12 0.02 . 1 . . . . 17 ALA HB1 . 19641 1 141 . 1 1 18 18 ALA HB2 H 1 1.12 0.02 . 1 . . . . 17 ALA HB2 . 19641 1 142 . 1 1 18 18 ALA HB3 H 1 1.12 0.02 . 1 . . . . 17 ALA HB3 . 19641 1 143 . 1 1 18 18 ALA C C 13 175.2 0.3 . 1 . . . . 17 ALA C . 19641 1 144 . 1 1 18 18 ALA CA C 13 50 0.3 . 1 . . . . 17 ALA CA . 19641 1 145 . 1 1 18 18 ALA CB C 13 21.5 0.3 . 1 . . . . 17 ALA CB . 19641 1 146 . 1 1 18 18 ALA N N 15 131.7 0.3 . 1 . . . . 17 ALA N . 19641 1 147 . 1 1 19 19 SER H H 1 8.18 0.02 . 1 . . . . 18 SER H . 19641 1 148 . 1 1 19 19 SER HA H 1 5 0.02 . 1 . . . . 18 SER HA . 19641 1 149 . 1 1 19 19 SER HB2 H 1 3.5 0.02 . 2 . . . . 18 SER HB2 . 19641 1 150 . 1 1 19 19 SER HB3 H 1 3.43 0.02 . 2 . . . . 18 SER HB3 . 19641 1 151 . 1 1 19 19 SER C C 13 172.8 0.3 . 1 . . . . 18 SER C . 19641 1 152 . 1 1 19 19 SER CA C 13 56.9 0.3 . 1 . . . . 18 SER CA . 19641 1 153 . 1 1 19 19 SER CB C 13 64.1 0.3 . 1 . . . . 18 SER CB . 19641 1 154 . 1 1 19 19 SER N N 15 116.2 0.3 . 1 . . . . 18 SER N . 19641 1 155 . 1 1 20 20 ILE H H 1 9.13 0.02 . 1 . . . . 19 ILE H . 19641 1 156 . 1 1 20 20 ILE HA H 1 4.32 0.02 . 1 . . . . 19 ILE HA . 19641 1 157 . 1 1 20 20 ILE HB H 1 1.45 0.02 . 1 . . . . 19 ILE HB . 19641 1 158 . 1 1 20 20 ILE HG12 H 1 1.15 0.02 . 2 . . . . 19 ILE HG12 . 19641 1 159 . 1 1 20 20 ILE HG13 H 1 1.22 0.02 . 2 . . . . 19 ILE HG13 . 19641 1 160 . 1 1 20 20 ILE HG21 H 1 0.32 0.02 . 1 . . . . 19 ILE HG21 . 19641 1 161 . 1 1 20 20 ILE HG22 H 1 0.32 0.02 . 1 . . . . 19 ILE HG22 . 19641 1 162 . 1 1 20 20 ILE HG23 H 1 0.32 0.02 . 1 . . . . 19 ILE HG23 . 19641 1 163 . 1 1 20 20 ILE HD11 H 1 0.8 0.02 . 1 . . . . 19 ILE HD11 . 19641 1 164 . 1 1 20 20 ILE HD12 H 1 0.8 0.02 . 1 . . . . 19 ILE HD12 . 19641 1 165 . 1 1 20 20 ILE HD13 H 1 0.8 0.02 . 1 . . . . 19 ILE HD13 . 19641 1 166 . 1 1 20 20 ILE C C 13 174.4 0.3 . 1 . . . . 19 ILE C . 19641 1 167 . 1 1 20 20 ILE CA C 13 60.4 0.3 . 1 . . . . 19 ILE CA . 19641 1 168 . 1 1 20 20 ILE CB C 13 40 0.3 . 1 . . . . 19 ILE CB . 19641 1 169 . 1 1 20 20 ILE CG1 C 13 27.8 0.3 . 1 . . . . 19 ILE CG1 . 19641 1 170 . 1 1 20 20 ILE CG2 C 13 21.5 0.3 . 1 . . . . 19 ILE CG2 . 19641 1 171 . 1 1 20 20 ILE N N 15 126.7 0.3 . 1 . . . . 19 ILE N . 19641 1 172 . 1 1 21 21 THR H H 1 8.45 0.02 . 1 . . . . 20 THR H . 19641 1 173 . 1 1 21 21 THR HA H 1 5.36 0.02 . 1 . . . . 20 THR HA . 19641 1 174 . 1 1 21 21 THR HB H 1 4.06 0.02 . 1 . . . . 20 THR HB . 19641 1 175 . 1 1 21 21 THR HG21 H 1 1.14 0.02 . 1 . . . . 20 THR HG21 . 19641 1 176 . 1 1 21 21 THR HG22 H 1 1.14 0.02 . 1 . . . . 20 THR HG22 . 19641 1 177 . 1 1 21 21 THR HG23 H 1 1.14 0.02 . 1 . . . . 20 THR HG23 . 19641 1 178 . 1 1 21 21 THR C C 13 174.8 0.3 . 1 . . . . 20 THR C . 19641 1 179 . 1 1 21 21 THR CA C 13 61.2 0.3 . 1 . . . . 20 THR CA . 19641 1 180 . 1 1 21 21 THR CB C 13 71.8 0.3 . 1 . . . . 20 THR CB . 19641 1 181 . 1 1 21 21 THR CG2 C 13 21.5 0.3 . 1 . . . . 20 THR CG2 . 19641 1 182 . 1 1 21 21 THR N N 15 116.8 0.3 . 1 . . . . 20 THR N . 19641 1 183 . 1 1 22 22 CYS H H 1 9.04 0.02 . 1 . . . . 21 CYS H . 19641 1 184 . 1 1 22 22 CYS HA H 1 5.17 0.02 . 1 . . . . 21 CYS HA . 19641 1 185 . 1 1 22 22 CYS HB2 H 1 3.42 0.02 . 2 . . . . 21 CYS HB2 . 19641 1 186 . 1 1 22 22 CYS HB3 H 1 2.97 0.02 . 2 . . . . 21 CYS HB3 . 19641 1 187 . 1 1 22 22 CYS C C 13 172.7 0.3 . 1 . . . . 21 CYS C . 19641 1 188 . 1 1 22 22 CYS CA C 13 54.8 0.3 . 1 . . . . 21 CYS CA . 19641 1 189 . 1 1 22 22 CYS CB C 13 46.2 0.3 . 1 . . . . 21 CYS CB . 19641 1 190 . 1 1 22 22 CYS N N 15 123.5 0.3 . 1 . . . . 21 CYS N . 19641 1 191 . 1 1 23 23 SER H H 1 9.01 0.02 . 1 . . . . 22 SER H . 19641 1 192 . 1 1 23 23 SER HA H 1 5.67 0.02 . 1 . . . . 22 SER HA . 19641 1 193 . 1 1 23 23 SER HB2 H 1 3.85 0.02 . 2 . . . . 22 SER HB2 . 19641 1 194 . 1 1 23 23 SER HB3 H 1 3.77 0.02 . 2 . . . . 22 SER HB3 . 19641 1 195 . 1 1 23 23 SER C C 13 173.3 0.3 . 1 . . . . 22 SER C . 19641 1 196 . 1 1 23 23 SER CA C 13 57.1 0.3 . 1 . . . . 22 SER CA . 19641 1 197 . 1 1 23 23 SER CB C 13 66.7 0.3 . 1 . . . . 22 SER CB . 19641 1 198 . 1 1 23 23 SER N N 15 119.9 0.3 . 1 . . . . 22 SER N . 19641 1 199 . 1 1 24 24 GLY H H 1 8.22 0.02 . 1 . . . . 23 GLY H . 19641 1 200 . 1 1 24 24 GLY HA2 H 1 4.34 0.02 . 2 . . . . 23 GLY HA2 . 19641 1 201 . 1 1 24 24 GLY HA3 H 1 4.09 0.02 . 2 . . . . 23 GLY HA3 . 19641 1 202 . 1 1 24 24 GLY C C 13 173.2 0.3 . 1 . . . . 23 GLY C . 19641 1 203 . 1 1 24 24 GLY CA C 13 45.8 0.3 . 1 . . . . 23 GLY CA . 19641 1 204 . 1 1 24 24 GLY N N 15 109.7 0.3 . 1 . . . . 23 GLY N . 19641 1 205 . 1 1 25 25 ASP H H 1 8.67 0.02 . 1 . . . . 24 ASP H . 19641 1 206 . 1 1 25 25 ASP HA H 1 4.36 0.02 . 1 . . . . 24 ASP HA . 19641 1 207 . 1 1 25 25 ASP HB2 H 1 2.65 0.02 . 2 . . . . 24 ASP HB2 . 19641 1 208 . 1 1 25 25 ASP HB3 H 1 2.62 0.02 . 2 . . . . 24 ASP HB3 . 19641 1 209 . 1 1 25 25 ASP C C 13 178.4 0.3 . 1 . . . . 24 ASP C . 19641 1 210 . 1 1 25 25 ASP CA C 13 56.6 0.3 . 1 . . . . 24 ASP CA . 19641 1 211 . 1 1 25 25 ASP CB C 13 40.6 0.3 . 1 . . . . 24 ASP CB . 19641 1 212 . 1 1 25 25 ASP N N 15 122 0.3 . 1 . . . . 24 ASP N . 19641 1 213 . 1 1 26 26 LYS H H 1 8.64 0.02 . 1 . . . . 25 LYS H . 19641 1 214 . 1 1 26 26 LYS HA H 1 4.11 0.02 . 1 . . . . 25 LYS HA . 19641 1 215 . 1 1 26 26 LYS HB2 H 1 1.54 0.02 . 2 . . . . 25 LYS HB2 . 19641 1 216 . 1 1 26 26 LYS HB3 H 1 1.62 0.02 . 2 . . . . 25 LYS HB3 . 19641 1 217 . 1 1 26 26 LYS C C 13 176.6 0.3 . 1 . . . . 25 LYS C . 19641 1 218 . 1 1 26 26 LYS CA C 13 57.3 0.3 . 1 . . . . 25 LYS CA . 19641 1 219 . 1 1 26 26 LYS CB C 13 31.5 0.3 . 1 . . . . 25 LYS CB . 19641 1 220 . 1 1 26 26 LYS N N 15 117.8 0.3 . 1 . . . . 25 LYS N . 19641 1 221 . 1 1 27 27 LEU H H 1 7.42 0.02 . 1 . . . . 26 LEU H . 19641 1 222 . 1 1 27 27 LEU HA H 1 3.74 0.02 . 1 . . . . 26 LEU HA . 19641 1 223 . 1 1 27 27 LEU HB2 H 1 1.58 0.02 . 2 . . . . 26 LEU HB2 . 19641 1 224 . 1 1 27 27 LEU HB3 H 1 1.4 0.02 . 2 . . . . 26 LEU HB3 . 19641 1 225 . 1 1 27 27 LEU HG H 1 0.61 0.02 . 1 . . . . 26 LEU HG . 19641 1 226 . 1 1 27 27 LEU CA C 13 57.3 0.3 . 1 . . . . 26 LEU CA . 19641 1 227 . 1 1 27 27 LEU N N 15 119.6 0.3 . 1 . . . . 26 LEU N . 19641 1 228 . 1 1 28 28 GLY H H 1 7.85 0.02 . 1 . . . . 27 GLY H . 19641 1 229 . 1 1 28 28 GLY HA2 H 1 3.69 0.02 . 2 . . . . 27 GLY HA2 . 19641 1 230 . 1 1 28 28 GLY HA3 H 1 3.8 0.02 . 2 . . . . 27 GLY HA3 . 19641 1 231 . 1 1 28 28 GLY C C 13 174.3 0.3 . 1 . . . . 27 GLY C . 19641 1 232 . 1 1 28 28 GLY CA C 13 47 0.3 . 1 . . . . 27 GLY CA . 19641 1 233 . 1 1 28 28 GLY N N 15 104.1 0.3 . 1 . . . . 27 GLY N . 19641 1 234 . 1 1 29 29 ASP H H 1 7.99 0.02 . 1 . . . . 28 ASP H . 19641 1 235 . 1 1 29 29 ASP HA H 1 4.58 0.02 . 1 . . . . 28 ASP HA . 19641 1 236 . 1 1 29 29 ASP HB2 H 1 2.74 0.02 . 2 . . . . 28 ASP HB2 . 19641 1 237 . 1 1 29 29 ASP HB3 H 1 2.81 0.02 . 2 . . . . 28 ASP HB3 . 19641 1 238 . 1 1 29 29 ASP C C 13 175 0.3 . 1 . . . . 28 ASP C . 19641 1 239 . 1 1 29 29 ASP CA C 13 54.1 0.3 . 1 . . . . 28 ASP CA . 19641 1 240 . 1 1 29 29 ASP CB C 13 40.5 0.3 . 1 . . . . 28 ASP CB . 19641 1 241 . 1 1 29 29 ASP N N 15 118.7 0.3 . 1 . . . . 28 ASP N . 19641 1 242 . 1 1 30 30 LYS H H 1 7.68 0.02 . 1 . . . . 29 LYS H . 19641 1 243 . 1 1 30 30 LYS HA H 1 4.44 0.02 . 1 . . . . 29 LYS HA . 19641 1 244 . 1 1 30 30 LYS HB2 H 1 1.64 0.02 . 2 . . . . 29 LYS HB2 . 19641 1 245 . 1 1 30 30 LYS HB3 H 1 1.54 0.02 . 2 . . . . 29 LYS HB3 . 19641 1 246 . 1 1 30 30 LYS HG2 H 1 1.38 0.02 . 2 . . . . 29 LYS HG2 . 19641 1 247 . 1 1 30 30 LYS HG3 H 1 1.47 0.02 . 2 . . . . 29 LYS HG3 . 19641 1 248 . 1 1 30 30 LYS C C 13 174.8 0.3 . 1 . . . . 29 LYS C . 19641 1 249 . 1 1 30 30 LYS CA C 13 54.8 0.3 . 1 . . . . 29 LYS CA . 19641 1 250 . 1 1 30 30 LYS CB C 13 36.9 0.3 . 1 . . . . 29 LYS CB . 19641 1 251 . 1 1 30 30 LYS N N 15 118.6 0.3 . 1 . . . . 29 LYS N . 19641 1 252 . 1 1 31 31 TYR H H 1 8.03 0.02 . 1 . . . . 30 TYR H . 19641 1 253 . 1 1 31 31 TYR HA H 1 5.16 0.02 . 1 . . . . 30 TYR HA . 19641 1 254 . 1 1 31 31 TYR HB2 H 1 2.55 0.02 . 2 . . . . 30 TYR HB2 . 19641 1 255 . 1 1 31 31 TYR HB3 H 1 3.14 0.02 . 2 . . . . 30 TYR HB3 . 19641 1 256 . 1 1 31 31 TYR C C 13 175.3 0.3 . 1 . . . . 30 TYR C . 19641 1 257 . 1 1 31 31 TYR CA C 13 56.1 0.3 . 1 . . . . 30 TYR CA . 19641 1 258 . 1 1 31 31 TYR CB C 13 41.6 0.3 . 1 . . . . 30 TYR CB . 19641 1 259 . 1 1 31 31 TYR N N 15 116.7 0.3 . 1 . . . . 30 TYR N . 19641 1 260 . 1 1 32 32 ALA H H 1 9.44 0.02 . 1 . . . . 31 ALA H . 19641 1 261 . 1 1 32 32 ALA HA H 1 5.11 0.02 . 1 . . . . 31 ALA HA . 19641 1 262 . 1 1 32 32 ALA HB1 H 1 1.29 0.02 . 1 . . . . 31 ALA HB1 . 19641 1 263 . 1 1 32 32 ALA HB2 H 1 1.29 0.02 . 1 . . . . 31 ALA HB2 . 19641 1 264 . 1 1 32 32 ALA HB3 H 1 1.29 0.02 . 1 . . . . 31 ALA HB3 . 19641 1 265 . 1 1 32 32 ALA C C 13 176.8 0.3 . 1 . . . . 31 ALA C . 19641 1 266 . 1 1 32 32 ALA CA C 13 50.8 0.3 . 1 . . . . 31 ALA CA . 19641 1 267 . 1 1 32 32 ALA CB C 13 20.4 0.3 . 1 . . . . 31 ALA CB . 19641 1 268 . 1 1 32 32 ALA N N 15 123 0.3 . 1 . . . . 31 ALA N . 19641 1 269 . 1 1 33 33 TYR H H 1 8.9 0.02 . 1 . . . . 32 TYR H . 19641 1 270 . 1 1 33 33 TYR HA H 1 4.82 0.02 . 1 . . . . 32 TYR HA . 19641 1 271 . 1 1 33 33 TYR HB2 H 1 2.84 0.02 . 2 . . . . 32 TYR HB2 . 19641 1 272 . 1 1 33 33 TYR HB3 H 1 2.77 0.02 . 2 . . . . 32 TYR HB3 . 19641 1 273 . 1 1 33 33 TYR HE2 H 1 7.31 0.02 . 1 . . . . 32 TYR HE2 . 19641 1 274 . 1 1 33 33 TYR C C 13 173.8 0.3 . 1 . . . . 32 TYR C . 19641 1 275 . 1 1 33 33 TYR CA C 13 56.2 0.3 . 1 . . . . 32 TYR CA . 19641 1 276 . 1 1 33 33 TYR CB C 13 41.8 0.3 . 1 . . . . 32 TYR CB . 19641 1 277 . 1 1 33 33 TYR N N 15 120 0.3 . 1 . . . . 32 TYR N . 19641 1 278 . 1 1 34 34 TRP H H 1 9.06 0.02 . 1 . . . . 33 TRP H . 19641 1 279 . 1 1 34 34 TRP HA H 1 5.65 0.02 . 1 . . . . 33 TRP HA . 19641 1 280 . 1 1 34 34 TRP HB2 H 1 2.91 0.02 . 2 . . . . 33 TRP HB2 . 19641 1 281 . 1 1 34 34 TRP HB3 H 1 2.82 0.02 . 2 . . . . 33 TRP HB3 . 19641 1 282 . 1 1 34 34 TRP HD1 H 1 6.59 0.02 . 1 . . . . 33 TRP HD1 . 19641 1 283 . 1 1 34 34 TRP HE1 H 1 10.13 0.02 . 1 . . . . 33 TRP HE1 . 19641 1 284 . 1 1 34 34 TRP HZ2 H 1 7.09 0.02 . 1 . . . . 33 TRP HZ2 . 19641 1 285 . 1 1 34 34 TRP C C 13 175.1 0.3 . 1 . . . . 33 TRP C . 19641 1 286 . 1 1 34 34 TRP CA C 13 55.3 0.3 . 1 . . . . 33 TRP CA . 19641 1 287 . 1 1 34 34 TRP CB C 13 33.6 0.3 . 1 . . . . 33 TRP CB . 19641 1 288 . 1 1 34 34 TRP N N 15 118.2 0.3 . 1 . . . . 33 TRP N . 19641 1 289 . 1 1 34 34 TRP NE1 N 15 129.5 0.3 . 1 . . . . 33 TRP NE1 . 19641 1 290 . 1 1 35 35 TYR H H 1 9.61 0.02 . 1 . . . . 34 TYR H . 19641 1 291 . 1 1 35 35 TYR HA H 1 5.42 0.02 . 1 . . . . 34 TYR HA . 19641 1 292 . 1 1 35 35 TYR HB2 H 1 2.81 0.02 . 2 . . . . 34 TYR HB2 . 19641 1 293 . 1 1 35 35 TYR HB3 H 1 2.74 0.02 . 2 . . . . 34 TYR HB3 . 19641 1 294 . 1 1 35 35 TYR HD1 H 1 6.71 0.02 . 3 . . . . 34 TYR HD1 . 19641 1 295 . 1 1 35 35 TYR HD2 H 1 6.73 0.02 . 3 . . . . 34 TYR HD2 . 19641 1 296 . 1 1 35 35 TYR HE1 H 1 6.79 0.02 . 3 . . . . 34 TYR HE1 . 19641 1 297 . 1 1 35 35 TYR HE2 H 1 6.81 0.02 . 3 . . . . 34 TYR HE2 . 19641 1 298 . 1 1 35 35 TYR C C 13 174.4 0.3 . 1 . . . . 34 TYR C . 19641 1 299 . 1 1 35 35 TYR CA C 13 56.5 0.3 . 1 . . . . 34 TYR CA . 19641 1 300 . 1 1 35 35 TYR CB C 13 42.5 0.3 . 1 . . . . 34 TYR CB . 19641 1 301 . 1 1 35 35 TYR N N 15 120.2 0.3 . 1 . . . . 34 TYR N . 19641 1 302 . 1 1 36 36 GLN H H 1 9.82 0.02 . 1 . . . . 35 GLN H . 19641 1 303 . 1 1 36 36 GLN HA H 1 4.37 0.02 . 1 . . . . 35 GLN HA . 19641 1 304 . 1 1 36 36 GLN HB2 H 1 1.78 0.02 . 2 . . . . 35 GLN HB2 . 19641 1 305 . 1 1 36 36 GLN HB3 H 1 1.68 0.02 . 2 . . . . 35 GLN HB3 . 19641 1 306 . 1 1 36 36 GLN HG2 H 1 2.26 0.02 . 2 . . . . 35 GLN HG2 . 19641 1 307 . 1 1 36 36 GLN HG3 H 1 2.19 0.02 . 2 . . . . 35 GLN HG3 . 19641 1 308 . 1 1 36 36 GLN HE21 H 1 7.56 0.02 . 1 . . . . 35 GLN HE21 . 19641 1 309 . 1 1 36 36 GLN HE22 H 1 6.9 0.02 . 1 . . . . 35 GLN HE22 . 19641 1 310 . 1 1 36 36 GLN C C 13 174.3 0.3 . 1 . . . . 35 GLN C . 19641 1 311 . 1 1 36 36 GLN CA C 13 54 0.3 . 1 . . . . 35 GLN CA . 19641 1 312 . 1 1 36 36 GLN CB C 13 34.4 0.3 . 1 . . . . 35 GLN CB . 19641 1 313 . 1 1 36 36 GLN N N 15 123.4 0.3 . 1 . . . . 35 GLN N . 19641 1 314 . 1 1 36 36 GLN NE2 N 15 112.8 0.3 . 1 . . . . 35 GLN NE2 . 19641 1 315 . 1 1 37 37 GLN H H 1 9.74 0.02 . 1 . . . . 36 GLN H . 19641 1 316 . 1 1 37 37 GLN HA H 1 4.92 0.02 . 1 . . . . 36 GLN HA . 19641 1 317 . 1 1 37 37 GLN HB2 H 1 1.76 0.02 . 2 . . . . 36 GLN HB2 . 19641 1 318 . 1 1 37 37 GLN HB3 H 1 1.7 0.02 . 2 . . . . 36 GLN HB3 . 19641 1 319 . 1 1 37 37 GLN HG2 H 1 2.33 0.02 . 2 . . . . 36 GLN HG2 . 19641 1 320 . 1 1 37 37 GLN HG3 H 1 2.06 0.02 . 2 . . . . 36 GLN HG3 . 19641 1 321 . 1 1 37 37 GLN C C 13 174.3 0.3 . 1 . . . . 36 GLN C . 19641 1 322 . 1 1 37 37 GLN CA C 13 54.9 0.3 . 1 . . . . 36 GLN CA . 19641 1 323 . 1 1 37 37 GLN CB C 13 31.7 0.3 . 1 . . . . 36 GLN CB . 19641 1 324 . 1 1 37 37 GLN N N 15 129.2 0.3 . 1 . . . . 36 GLN N . 19641 1 325 . 1 1 38 38 LYS H H 1 9.02 0.02 . 1 . . . . 37 LYS H . 19641 1 326 . 1 1 38 38 LYS HA H 1 4.7 0.02 . 1 . . . . 37 LYS HA . 19641 1 327 . 1 1 38 38 LYS HB2 H 1 1.47 0.02 . 2 . . . . 37 LYS HB2 . 19641 1 328 . 1 1 38 38 LYS HB3 H 1 1.38 0.02 . 2 . . . . 37 LYS HB3 . 19641 1 329 . 1 1 38 38 LYS CA C 13 54.6 0.3 . 1 . . . . 37 LYS CA . 19641 1 330 . 1 1 38 38 LYS CB C 13 32.4 0.3 . 1 . . . . 37 LYS CB . 19641 1 331 . 1 1 38 38 LYS N N 15 131 0.3 . 1 . . . . 37 LYS N . 19641 1 332 . 1 1 39 39 PRO HA H 1 4.3 0.02 . 1 . . . . 38 PRO HA . 19641 1 333 . 1 1 39 39 PRO HB2 H 1 1.88 0.02 . 2 . . . . 38 PRO HB2 . 19641 1 334 . 1 1 39 39 PRO HB3 H 1 2.24 0.02 . 2 . . . . 38 PRO HB3 . 19641 1 335 . 1 1 39 39 PRO C C 13 178.3 0.3 . 1 . . . . 38 PRO C . 19641 1 336 . 1 1 39 39 PRO CA C 13 64 0.3 . 1 . . . . 38 PRO CA . 19641 1 337 . 1 1 39 39 PRO CB C 13 31.5 0.3 . 1 . . . . 38 PRO CB . 19641 1 338 . 1 1 39 39 PRO CG C 13 27.6 0.3 . 1 . . . . 38 PRO CG . 19641 1 339 . 1 1 40 40 GLY H H 1 8.91 0.02 . 1 . . . . 39 GLY H . 19641 1 340 . 1 1 40 40 GLY HA2 H 1 4.08 0.02 . 2 . . . . 39 GLY HA2 . 19641 1 341 . 1 1 40 40 GLY HA3 H 1 3.76 0.02 . 2 . . . . 39 GLY HA3 . 19641 1 342 . 1 1 40 40 GLY C C 13 173.8 0.3 . 1 . . . . 39 GLY C . 19641 1 343 . 1 1 40 40 GLY CA C 13 45.8 0.3 . 1 . . . . 39 GLY CA . 19641 1 344 . 1 1 40 40 GLY N N 15 112.3 0.3 . 1 . . . . 39 GLY N . 19641 1 345 . 1 1 41 41 GLN H H 1 7.81 0.02 . 1 . . . . 40 GLN H . 19641 1 346 . 1 1 41 41 GLN HA H 1 4.77 0.02 . 1 . . . . 40 GLN HA . 19641 1 347 . 1 1 41 41 GLN HB2 H 1 1.94 0.02 . 2 . . . . 40 GLN HB2 . 19641 1 348 . 1 1 41 41 GLN HB3 H 1 2 0.02 . 2 . . . . 40 GLN HB3 . 19641 1 349 . 1 1 41 41 GLN HG2 H 1 2.24 0.02 . 2 . . . . 40 GLN HG2 . 19641 1 350 . 1 1 41 41 GLN HG3 H 1 2.27 0.02 . 2 . . . . 40 GLN HG3 . 19641 1 351 . 1 1 41 41 GLN HE21 H 1 7.62 0.02 . 1 . . . . 40 GLN HE21 . 19641 1 352 . 1 1 41 41 GLN HE22 H 1 6.95 0.02 . 1 . . . . 40 GLN HE22 . 19641 1 353 . 1 1 41 41 GLN C C 13 175.5 0.3 . 1 . . . . 40 GLN C . 19641 1 354 . 1 1 41 41 GLN CA C 13 53.5 0.3 . 1 . . . . 40 GLN CA . 19641 1 355 . 1 1 41 41 GLN CB C 13 31.6 0.3 . 1 . . . . 40 GLN CB . 19641 1 356 . 1 1 41 41 GLN CG C 13 33.1 0.3 . 1 . . . . 40 GLN CG . 19641 1 357 . 1 1 41 41 GLN N N 15 117.7 0.3 . 1 . . . . 40 GLN N . 19641 1 358 . 1 1 41 41 GLN NE2 N 15 112.7 0.3 . 1 . . . . 40 GLN NE2 . 19641 1 359 . 1 1 42 42 SER H H 1 8.56 0.02 . 1 . . . . 41 SER H . 19641 1 360 . 1 1 42 42 SER HA H 1 4.76 0.02 . 1 . . . . 41 SER HA . 19641 1 361 . 1 1 42 42 SER HB2 H 1 3.92 0.02 . 2 . . . . 41 SER HB2 . 19641 1 362 . 1 1 42 42 SER HB3 H 1 3.83 0.02 . 2 . . . . 41 SER HB3 . 19641 1 363 . 1 1 42 42 SER CA C 13 57.7 0.3 . 1 . . . . 41 SER CA . 19641 1 364 . 1 1 42 42 SER CB C 13 62 0.3 . 1 . . . . 41 SER CB . 19641 1 365 . 1 1 42 42 SER N N 15 117.7 0.3 . 1 . . . . 41 SER N . 19641 1 366 . 1 1 43 43 PRO C C 13 176.5 0.3 . 1 . . . . 42 PRO C . 19641 1 367 . 1 1 43 43 PRO CA C 13 63.3 0.3 . 1 . . . . 42 PRO CA . 19641 1 368 . 1 1 43 43 PRO CB C 13 32.6 0.3 . 1 . . . . 42 PRO CB . 19641 1 369 . 1 1 44 44 VAL H H 1 9.2 0.02 . 1 . . . . 43 VAL H . 19641 1 370 . 1 1 44 44 VAL HA H 1 4.39 0.02 . 1 . . . . 43 VAL HA . 19641 1 371 . 1 1 44 44 VAL HB H 1 2.08 0.02 . 1 . . . . 43 VAL HB . 19641 1 372 . 1 1 44 44 VAL HG11 H 1 1.04 0.02 . 1 . . . . 43 VAL HG11 . 19641 1 373 . 1 1 44 44 VAL HG12 H 1 1.04 0.02 . 1 . . . . 43 VAL HG12 . 19641 1 374 . 1 1 44 44 VAL HG13 H 1 1.04 0.02 . 1 . . . . 43 VAL HG13 . 19641 1 375 . 1 1 44 44 VAL HG21 H 1 0.85 0.02 . 1 . . . . 43 VAL HG21 . 19641 1 376 . 1 1 44 44 VAL HG22 H 1 0.85 0.02 . 1 . . . . 43 VAL HG22 . 19641 1 377 . 1 1 44 44 VAL HG23 H 1 0.85 0.02 . 1 . . . . 43 VAL HG23 . 19641 1 378 . 1 1 44 44 VAL C C 13 175.1 0.3 . 1 . . . . 43 VAL C . 19641 1 379 . 1 1 44 44 VAL CA C 13 61 0.3 . 1 . . . . 43 VAL CA . 19641 1 380 . 1 1 44 44 VAL CB C 13 35.6 0.3 . 1 . . . . 43 VAL CB . 19641 1 381 . 1 1 44 44 VAL CG1 C 13 21.4 0.3 . 1 . . . . 43 VAL CG1 . 19641 1 382 . 1 1 44 44 VAL CG2 C 13 20.9 0.3 . 1 . . . . 43 VAL CG2 . 19641 1 383 . 1 1 44 44 VAL N N 15 124 0.3 . 1 . . . . 43 VAL N . 19641 1 384 . 1 1 45 45 LEU H H 1 8.66 0.02 . 1 . . . . 44 LEU H . 19641 1 385 . 1 1 45 45 LEU HA H 1 3.99 0.02 . 1 . . . . 44 LEU HA . 19641 1 386 . 1 1 45 45 LEU HB2 H 1 1.79 0.02 . 2 . . . . 44 LEU HB2 . 19641 1 387 . 1 1 45 45 LEU HB3 H 1 1.72 0.02 . 2 . . . . 44 LEU HB3 . 19641 1 388 . 1 1 45 45 LEU HG H 1 1.34 0.02 . 1 . . . . 44 LEU HG . 19641 1 389 . 1 1 45 45 LEU CA C 13 63.5 0.3 . 1 . . . . 44 LEU CA . 19641 1 390 . 1 1 45 45 LEU N N 15 130.5 0.3 . 1 . . . . 44 LEU N . 19641 1 391 . 1 1 46 46 VAL H H 1 8.81 0.02 . 1 . . . . 45 VAL H . 19641 1 392 . 1 1 46 46 VAL HA H 1 4.45 0.02 . 1 . . . . 45 VAL HA . 19641 1 393 . 1 1 46 46 VAL HB H 1 1.69 0.02 . 1 . . . . 45 VAL HB . 19641 1 394 . 1 1 46 46 VAL HG11 H 1 0.84 0.02 . 1 . . . . 45 VAL HG11 . 19641 1 395 . 1 1 46 46 VAL HG12 H 1 0.84 0.02 . 1 . . . . 45 VAL HG12 . 19641 1 396 . 1 1 46 46 VAL HG13 H 1 0.84 0.02 . 1 . . . . 45 VAL HG13 . 19641 1 397 . 1 1 46 46 VAL HG21 H 1 0.6 0.02 . 1 . . . . 45 VAL HG21 . 19641 1 398 . 1 1 46 46 VAL HG22 H 1 0.6 0.02 . 1 . . . . 45 VAL HG22 . 19641 1 399 . 1 1 46 46 VAL HG23 H 1 0.6 0.02 . 1 . . . . 45 VAL HG23 . 19641 1 400 . 1 1 46 46 VAL C C 13 173.3 0.3 . 1 . . . . 45 VAL C . 19641 1 401 . 1 1 46 46 VAL CA C 13 62 0.3 . 1 . . . . 45 VAL CA . 19641 1 402 . 1 1 46 46 VAL CB C 13 33.3 0.3 . 1 . . . . 45 VAL CB . 19641 1 403 . 1 1 46 46 VAL CG1 C 13 20.2 0.3 . 1 . . . . 45 VAL CG1 . 19641 1 404 . 1 1 46 46 VAL CG2 C 13 22.6 0.3 . 1 . . . . 45 VAL CG2 . 19641 1 405 . 1 1 46 46 VAL N N 15 121 0.3 . 1 . . . . 45 VAL N . 19641 1 406 . 1 1 47 47 ILE H H 1 7.11 0.02 . 1 . . . . 46 ILE H . 19641 1 407 . 1 1 47 47 ILE HA H 1 5.08 0.02 . 1 . . . . 46 ILE HA . 19641 1 408 . 1 1 47 47 ILE HB H 1 1.84 0.02 . 1 . . . . 46 ILE HB . 19641 1 409 . 1 1 47 47 ILE HG12 H 1 1.09 0.02 . 2 . . . . 46 ILE HG12 . 19641 1 410 . 1 1 47 47 ILE HG13 H 1 1.33 0.02 . 2 . . . . 46 ILE HG13 . 19641 1 411 . 1 1 47 47 ILE HG21 H 1 0.6 0.02 . 1 . . . . 46 ILE HG21 . 19641 1 412 . 1 1 47 47 ILE HG22 H 1 0.6 0.02 . 1 . . . . 46 ILE HG22 . 19641 1 413 . 1 1 47 47 ILE HG23 H 1 0.6 0.02 . 1 . . . . 46 ILE HG23 . 19641 1 414 . 1 1 47 47 ILE HD11 H 1 0.81 0.02 . 1 . . . . 46 ILE HD11 . 19641 1 415 . 1 1 47 47 ILE HD12 H 1 0.81 0.02 . 1 . . . . 46 ILE HD12 . 19641 1 416 . 1 1 47 47 ILE HD13 H 1 0.81 0.02 . 1 . . . . 46 ILE HD13 . 19641 1 417 . 1 1 47 47 ILE C C 13 174.4 0.3 . 1 . . . . 46 ILE C . 19641 1 418 . 1 1 47 47 ILE CA C 13 56.1 0.3 . 1 . . . . 46 ILE CA . 19641 1 419 . 1 1 47 47 ILE CB C 13 41.5 0.3 . 1 . . . . 46 ILE CB . 19641 1 420 . 1 1 47 47 ILE N N 15 115.5 0.3 . 1 . . . . 46 ILE N . 19641 1 421 . 1 1 48 48 TYR H H 1 9.55 0.02 . 1 . . . . 47 TYR H . 19641 1 422 . 1 1 48 48 TYR HA H 1 4.83 0.02 . 1 . . . . 47 TYR HA . 19641 1 423 . 1 1 48 48 TYR HB2 H 1 2.86 0.02 . 2 . . . . 47 TYR HB2 . 19641 1 424 . 1 1 48 48 TYR HB3 H 1 2.13 0.02 . 2 . . . . 47 TYR HB3 . 19641 1 425 . 1 1 48 48 TYR HD2 H 1 6.76 0.02 . 1 . . . . 47 TYR HD2 . 19641 1 426 . 1 1 48 48 TYR HE2 H 1 6.68 0.02 . 1 . . . . 47 TYR HE2 . 19641 1 427 . 1 1 48 48 TYR C C 13 172.3 0.3 . 1 . . . . 47 TYR C . 19641 1 428 . 1 1 48 48 TYR CA C 13 53.8 0.3 . 1 . . . . 47 TYR CA . 19641 1 429 . 1 1 48 48 TYR CB C 13 43.1 0.3 . 1 . . . . 47 TYR CB . 19641 1 430 . 1 1 48 48 TYR N N 15 122.1 0.3 . 1 . . . . 47 TYR N . 19641 1 431 . 1 1 49 49 GLN H H 1 5.71 0.02 . 1 . . . . 48 GLN H . 19641 1 432 . 1 1 49 49 GLN HA H 1 2.82 0.02 . 1 . . . . 48 GLN HA . 19641 1 433 . 1 1 49 49 GLN HE21 H 1 8.01 0.02 . 1 . . . . 48 GLN HE21 . 19641 1 434 . 1 1 49 49 GLN HE22 H 1 6.28 0.02 . 1 . . . . 48 GLN HE22 . 19641 1 435 . 1 1 49 49 GLN C C 13 175.6 0.3 . 1 . . . . 48 GLN C . 19641 1 436 . 1 1 49 49 GLN CA C 13 57.4 0.3 . 1 . . . . 48 GLN CA . 19641 1 437 . 1 1 49 49 GLN CB C 13 26.6 0.3 . 1 . . . . 48 GLN CB . 19641 1 438 . 1 1 49 49 GLN CG C 13 34.1 0.3 . 1 . . . . 48 GLN CG . 19641 1 439 . 1 1 49 49 GLN N N 15 113.8 0.3 . 1 . . . . 48 GLN N . 19641 1 440 . 1 1 49 49 GLN NE2 N 15 108.3 0.3 . 1 . . . . 48 GLN NE2 . 19641 1 441 . 1 1 50 50 ASP H H 1 9.28 0.02 . 1 . . . . 49 ASP H . 19641 1 442 . 1 1 50 50 ASP HA H 1 4.08 0.02 . 1 . . . . 49 ASP HA . 19641 1 443 . 1 1 50 50 ASP HB2 H 1 2.35 0.02 . 2 . . . . 49 ASP HB2 . 19641 1 444 . 1 1 50 50 ASP HB3 H 1 2.3 0.02 . 2 . . . . 49 ASP HB3 . 19641 1 445 . 1 1 50 50 ASP C C 13 177.8 0.3 . 1 . . . . 49 ASP C . 19641 1 446 . 1 1 50 50 ASP CA C 13 60.1 0.3 . 1 . . . . 49 ASP CA . 19641 1 447 . 1 1 50 50 ASP CB C 13 40.7 0.3 . 1 . . . . 49 ASP CB . 19641 1 448 . 1 1 50 50 ASP N N 15 113.5 0.3 . 1 . . . . 49 ASP N . 19641 1 449 . 1 1 51 51 SER H H 1 8.42 0.02 . 1 . . . . 50 SER H . 19641 1 450 . 1 1 51 51 SER HA H 1 4.51 0.02 . 1 . . . . 50 SER HA . 19641 1 451 . 1 1 51 51 SER HB2 H 1 3.88 0.02 . 2 . . . . 50 SER HB2 . 19641 1 452 . 1 1 51 51 SER HB3 H 1 3.79 0.02 . 2 . . . . 50 SER HB3 . 19641 1 453 . 1 1 51 51 SER C C 13 174.6 0.3 . 1 . . . . 50 SER C . 19641 1 454 . 1 1 51 51 SER CA C 13 57.5 0.3 . 1 . . . . 50 SER CA . 19641 1 455 . 1 1 51 51 SER CB C 13 66.4 0.3 . 1 . . . . 50 SER CB . 19641 1 456 . 1 1 51 51 SER N N 15 111.1 0.3 . 1 . . . . 50 SER N . 19641 1 457 . 1 1 52 52 LYS H H 1 8.33 0.02 . 1 . . . . 51 LYS H . 19641 1 458 . 1 1 52 52 LYS HA H 1 4.25 0.02 . 1 . . . . 51 LYS HA . 19641 1 459 . 1 1 52 52 LYS HB2 H 1 1.43 0.02 . 2 . . . . 51 LYS HB2 . 19641 1 460 . 1 1 52 52 LYS HB3 H 1 1.35 0.02 . 2 . . . . 51 LYS HB3 . 19641 1 461 . 1 1 52 52 LYS C C 13 174.2 0.3 . 1 . . . . 51 LYS C . 19641 1 462 . 1 1 52 52 LYS CA C 13 56.2 0.3 . 1 . . . . 51 LYS CA . 19641 1 463 . 1 1 52 52 LYS CB C 13 31.5 0.3 . 1 . . . . 51 LYS CB . 19641 1 464 . 1 1 52 52 LYS N N 15 124.2 0.3 . 1 . . . . 51 LYS N . 19641 1 465 . 1 1 53 53 ARG H H 1 8.56 0.02 . 1 . . . . 52 ARG H . 19641 1 466 . 1 1 53 53 ARG HA H 1 5.19 0.02 . 1 . . . . 52 ARG HA . 19641 1 467 . 1 1 53 53 ARG HB2 H 1 1.64 0.02 . 2 . . . . 52 ARG HB2 . 19641 1 468 . 1 1 53 53 ARG HB3 H 1 1.54 0.02 . 2 . . . . 52 ARG HB3 . 19641 1 469 . 1 1 53 53 ARG HG2 H 1 1.77 0.02 . 1 . . . . 52 ARG HG2 . 19641 1 470 . 1 1 53 53 ARG HG3 H 1 1.77 0.02 . 1 . . . . 52 ARG HG3 . 19641 1 471 . 1 1 53 53 ARG CA C 13 52.7 0.3 . 1 . . . . 52 ARG CA . 19641 1 472 . 1 1 53 53 ARG CB C 13 33.2 0.3 . 1 . . . . 52 ARG CB . 19641 1 473 . 1 1 53 53 ARG N N 15 122.3 0.3 . 1 . . . . 52 ARG N . 19641 1 474 . 1 1 54 54 PRO HA H 1 4.34 0.02 . 1 . . . . 53 PRO HA . 19641 1 475 . 1 1 54 54 PRO C C 13 175.7 0.3 . 1 . . . . 53 PRO C . 19641 1 476 . 1 1 54 54 PRO CA C 13 61.7 0.3 . 1 . . . . 53 PRO CA . 19641 1 477 . 1 1 54 54 PRO CB C 13 32.5 0.3 . 1 . . . . 53 PRO CB . 19641 1 478 . 1 1 55 55 SER H H 1 8.59 0.02 . 1 . . . . 54 SER H . 19641 1 479 . 1 1 55 55 SER HA H 1 4.22 0.02 . 1 . . . . 54 SER HA . 19641 1 480 . 1 1 55 55 SER HB2 H 1 3.89 0.02 . 2 . . . . 54 SER HB2 . 19641 1 481 . 1 1 55 55 SER HB3 H 1 3.84 0.02 . 2 . . . . 54 SER HB3 . 19641 1 482 . 1 1 55 55 SER C C 13 175.7 0.3 . 1 . . . . 54 SER C . 19641 1 483 . 1 1 55 55 SER CA C 13 60.2 0.3 . 1 . . . . 54 SER CA . 19641 1 484 . 1 1 55 55 SER CB C 13 62.9 0.3 . 1 . . . . 54 SER CB . 19641 1 485 . 1 1 55 55 SER N N 15 116.4 0.3 . 1 . . . . 54 SER N . 19641 1 486 . 1 1 56 56 GLY H H 1 8.81 0.02 . 1 . . . . 55 GLY H . 19641 1 487 . 1 1 56 56 GLY HA2 H 1 3.68 0.02 . 2 . . . . 55 GLY HA2 . 19641 1 488 . 1 1 56 56 GLY HA3 H 1 4.2 0.02 . 2 . . . . 55 GLY HA3 . 19641 1 489 . 1 1 56 56 GLY C C 13 173.9 0.3 . 1 . . . . 55 GLY C . 19641 1 490 . 1 1 56 56 GLY CA C 13 45 0.3 . 1 . . . . 55 GLY CA . 19641 1 491 . 1 1 56 56 GLY N N 15 113.2 0.3 . 1 . . . . 55 GLY N . 19641 1 492 . 1 1 57 57 ILE H H 1 7.47 0.02 . 1 . . . . 56 ILE H . 19641 1 493 . 1 1 57 57 ILE HA H 1 4.59 0.02 . 1 . . . . 56 ILE HA . 19641 1 494 . 1 1 57 57 ILE HB H 1 2.21 0.02 . 1 . . . . 56 ILE HB . 19641 1 495 . 1 1 57 57 ILE HG12 H 1 0.62 0.02 . 1 . . . . 56 ILE HG12 . 19641 1 496 . 1 1 57 57 ILE HG21 H 1 1.04 0.02 . 1 . . . . 56 ILE HG21 . 19641 1 497 . 1 1 57 57 ILE HG22 H 1 1.04 0.02 . 1 . . . . 56 ILE HG22 . 19641 1 498 . 1 1 57 57 ILE HG23 H 1 1.04 0.02 . 1 . . . . 56 ILE HG23 . 19641 1 499 . 1 1 57 57 ILE CA C 13 55 0.3 . 1 . . . . 56 ILE CA . 19641 1 500 . 1 1 57 57 ILE CB C 13 36.4 0.3 . 1 . . . . 56 ILE CB . 19641 1 501 . 1 1 57 57 ILE N N 15 123.6 0.3 . 1 . . . . 56 ILE N . 19641 1 502 . 1 1 58 58 PRO HA H 1 4.84 0.02 . 1 . . . . 57 PRO HA . 19641 1 503 . 1 1 58 58 PRO HB2 H 1 3.47 0.02 . 2 . . . . 57 PRO HB2 . 19641 1 504 . 1 1 58 58 PRO HB3 H 1 2.92 0.02 . 2 . . . . 57 PRO HB3 . 19641 1 505 . 1 1 58 58 PRO C C 13 176.2 0.3 . 1 . . . . 57 PRO C . 19641 1 506 . 1 1 58 58 PRO CA C 13 57.9 0.3 . 1 . . . . 57 PRO CA . 19641 1 507 . 1 1 58 58 PRO CB C 13 38.6 0.3 . 1 . . . . 57 PRO CB . 19641 1 508 . 1 1 58 58 PRO CG C 13 23 0.3 . 1 . . . . 57 PRO CG . 19641 1 509 . 1 1 59 59 GLU H H 1 8.77 0.02 . 1 . . . . 58 GLU H . 19641 1 510 . 1 1 59 59 GLU HA H 1 4.32 0.02 . 1 . . . . 58 GLU HA . 19641 1 511 . 1 1 59 59 GLU HB2 H 1 1.94 0.02 . 2 . . . . 58 GLU HB2 . 19641 1 512 . 1 1 59 59 GLU HB3 H 1 2.01 0.02 . 2 . . . . 58 GLU HB3 . 19641 1 513 . 1 1 59 59 GLU HG2 H 1 2.45 0.02 . 2 . . . . 58 GLU HG2 . 19641 1 514 . 1 1 59 59 GLU HG3 H 1 2.36 0.02 . 2 . . . . 58 GLU HG3 . 19641 1 515 . 1 1 59 59 GLU C C 13 176.2 0.3 . 1 . . . . 58 GLU C . 19641 1 516 . 1 1 59 59 GLU CA C 13 58 0.3 . 1 . . . . 58 GLU CA . 19641 1 517 . 1 1 59 59 GLU CB C 13 30.8 0.3 . 1 . . . . 58 GLU CB . 19641 1 518 . 1 1 59 59 GLU CG C 13 36.9 0.3 . 1 . . . . 58 GLU CG . 19641 1 519 . 1 1 59 59 GLU N N 15 122.1 0.3 . 1 . . . . 58 GLU N . 19641 1 520 . 1 1 60 60 ARG H H 1 8.04 0.02 . 1 . . . . 59 ARG H . 19641 1 521 . 1 1 60 60 ARG HA H 1 4.89 0.02 . 1 . . . . 59 ARG HA . 19641 1 522 . 1 1 60 60 ARG HB2 H 1 1.39 0.02 . 2 . . . . 59 ARG HB2 . 19641 1 523 . 1 1 60 60 ARG HB3 H 1 1.31 0.02 . 2 . . . . 59 ARG HB3 . 19641 1 524 . 1 1 60 60 ARG C C 13 175.6 0.3 . 1 . . . . 59 ARG C . 19641 1 525 . 1 1 60 60 ARG CA C 13 52.8 0.3 . 1 . . . . 59 ARG CA . 19641 1 526 . 1 1 60 60 ARG CB C 13 30.9 0.3 . 1 . . . . 59 ARG CB . 19641 1 527 . 1 1 60 60 ARG N N 15 119.1 0.3 . 1 . . . . 59 ARG N . 19641 1 528 . 1 1 61 61 PHE H H 1 7.72 0.02 . 1 . . . . 60 PHE H . 19641 1 529 . 1 1 61 61 PHE HA H 1 4.8 0.02 . 1 . . . . 60 PHE HA . 19641 1 530 . 1 1 61 61 PHE HB2 H 1 2.95 0.02 . 2 . . . . 60 PHE HB2 . 19641 1 531 . 1 1 61 61 PHE HB3 H 1 3.02 0.02 . 2 . . . . 60 PHE HB3 . 19641 1 532 . 1 1 61 61 PHE HD2 H 1 7.14 0.02 . 1 . . . . 60 PHE HD2 . 19641 1 533 . 1 1 61 61 PHE HE2 H 1 7.04 0.02 . 1 . . . . 60 PHE HE2 . 19641 1 534 . 1 1 61 61 PHE C C 13 173.9 0.3 . 1 . . . . 60 PHE C . 19641 1 535 . 1 1 61 61 PHE CA C 13 58 0.3 . 1 . . . . 60 PHE CA . 19641 1 536 . 1 1 61 61 PHE CB C 13 39.8 0.3 . 1 . . . . 60 PHE CB . 19641 1 537 . 1 1 61 61 PHE N N 15 121 0.3 . 1 . . . . 60 PHE N . 19641 1 538 . 1 1 62 62 SER H H 1 9.06 0.02 . 1 . . . . 61 SER H . 19641 1 539 . 1 1 62 62 SER HA H 1 4.77 0.02 . 1 . . . . 61 SER HA . 19641 1 540 . 1 1 62 62 SER HB2 H 1 3.75 0.02 . 2 . . . . 61 SER HB2 . 19641 1 541 . 1 1 62 62 SER HB3 H 1 3.68 0.02 . 2 . . . . 61 SER HB3 . 19641 1 542 . 1 1 62 62 SER C C 13 171.8 0.3 . 1 . . . . 61 SER C . 19641 1 543 . 1 1 62 62 SER CA C 13 57.1 0.3 . 1 . . . . 61 SER CA . 19641 1 544 . 1 1 62 62 SER CB C 13 65.9 0.3 . 1 . . . . 61 SER CB . 19641 1 545 . 1 1 62 62 SER N N 15 116 0.3 . 1 . . . . 61 SER N . 19641 1 546 . 1 1 63 63 GLY H H 1 8.63 0.02 . 1 . . . . 62 GLY H . 19641 1 547 . 1 1 63 63 GLY HA2 H 1 3.75 0.02 . 2 . . . . 62 GLY HA2 . 19641 1 548 . 1 1 63 63 GLY HA3 H 1 5.42 0.02 . 2 . . . . 62 GLY HA3 . 19641 1 549 . 1 1 63 63 GLY C C 13 172.5 0.3 . 1 . . . . 62 GLY C . 19641 1 550 . 1 1 63 63 GLY CA C 13 44.6 0.3 . 1 . . . . 62 GLY CA . 19641 1 551 . 1 1 63 63 GLY N N 15 106.6 0.3 . 1 . . . . 62 GLY N . 19641 1 552 . 1 1 64 64 SER H H 1 8.5 0.02 . 1 . . . . 63 SER H . 19641 1 553 . 1 1 64 64 SER HA H 1 4.61 0.02 . 1 . . . . 63 SER HA . 19641 1 554 . 1 1 64 64 SER HB2 H 1 3.8 0.02 . 2 . . . . 63 SER HB2 . 19641 1 555 . 1 1 64 64 SER HB3 H 1 3.72 0.02 . 2 . . . . 63 SER HB3 . 19641 1 556 . 1 1 64 64 SER C C 13 174.3 0.3 . 1 . . . . 63 SER C . 19641 1 557 . 1 1 64 64 SER CA C 13 57 0.3 . 1 . . . . 63 SER CA . 19641 1 558 . 1 1 64 64 SER CB C 13 66.6 0.3 . 1 . . . . 63 SER CB . 19641 1 559 . 1 1 64 64 SER N N 15 112.1 0.3 . 1 . . . . 63 SER N . 19641 1 560 . 1 1 65 65 ASN H H 1 9.1 0.02 . 1 . . . . 64 ASN H . 19641 1 561 . 1 1 65 65 ASN HA H 1 5.28 0.02 . 1 . . . . 64 ASN HA . 19641 1 562 . 1 1 65 65 ASN HB2 H 1 2.72 0.02 . 2 . . . . 64 ASN HB2 . 19641 1 563 . 1 1 65 65 ASN HB3 H 1 2.83 0.02 . 2 . . . . 64 ASN HB3 . 19641 1 564 . 1 1 65 65 ASN HD21 H 1 7.91 0.02 . 1 . . . . 64 ASN HD21 . 19641 1 565 . 1 1 65 65 ASN HD22 H 1 7.58 0.02 . 1 . . . . 64 ASN HD22 . 19641 1 566 . 1 1 65 65 ASN C C 13 174.3 0.3 . 1 . . . . 64 ASN C . 19641 1 567 . 1 1 65 65 ASN CA C 13 53.6 0.3 . 1 . . . . 64 ASN CA . 19641 1 568 . 1 1 65 65 ASN CB C 13 39.4 0.3 . 1 . . . . 64 ASN CB . 19641 1 569 . 1 1 65 65 ASN N N 15 122.7 0.3 . 1 . . . . 64 ASN N . 19641 1 570 . 1 1 65 65 ASN ND2 N 15 112.2 0.3 . 1 . . . . 64 ASN ND2 . 19641 1 571 . 1 1 66 66 SER H H 1 8.69 0.02 . 1 . . . . 65 SER H . 19641 1 572 . 1 1 66 66 SER HA H 1 4.6 0.02 . 1 . . . . 65 SER HA . 19641 1 573 . 1 1 66 66 SER HB2 H 1 3.93 0.02 . 2 . . . . 65 SER HB2 . 19641 1 574 . 1 1 66 66 SER HB3 H 1 3.88 0.02 . 2 . . . . 65 SER HB3 . 19641 1 575 . 1 1 66 66 SER C C 13 175.1 0.3 . 1 . . . . 65 SER C . 19641 1 576 . 1 1 66 66 SER CA C 13 58.1 0.3 . 1 . . . . 65 SER CA . 19641 1 577 . 1 1 66 66 SER CB C 13 64.5 0.3 . 1 . . . . 65 SER CB . 19641 1 578 . 1 1 66 66 SER N N 15 120.4 0.3 . 1 . . . . 65 SER N . 19641 1 579 . 1 1 67 67 GLY H H 1 9.15 0.02 . 1 . . . . 66 GLY H . 19641 1 580 . 1 1 67 67 GLY HA2 H 1 4.05 0.02 . 2 . . . . 66 GLY HA2 . 19641 1 581 . 1 1 67 67 GLY HA3 H 1 3.68 0.02 . 2 . . . . 66 GLY HA3 . 19641 1 582 . 1 1 67 67 GLY CA C 13 47.2 0.3 . 1 . . . . 66 GLY CA . 19641 1 583 . 1 1 67 67 GLY N N 15 115.6 0.3 . 1 . . . . 66 GLY N . 19641 1 584 . 1 1 68 68 ASN H H 1 8.74 0.02 . 1 . . . . 67 ASN H . 19641 1 585 . 1 1 68 68 ASN HA H 1 4.62 0.02 . 1 . . . . 67 ASN HA . 19641 1 586 . 1 1 68 68 ASN HB2 H 1 2.99 0.02 . 1 . . . . 67 ASN HB2 . 19641 1 587 . 1 1 68 68 ASN HB3 H 1 2.99 0.02 . 1 . . . . 67 ASN HB3 . 19641 1 588 . 1 1 68 68 ASN HD21 H 1 7.49 0.02 . 1 . . . . 67 ASN HD21 . 19641 1 589 . 1 1 68 68 ASN HD22 H 1 6.9 0.02 . 1 . . . . 67 ASN HD22 . 19641 1 590 . 1 1 68 68 ASN CA C 13 53.6 0.3 . 1 . . . . 67 ASN CA . 19641 1 591 . 1 1 68 68 ASN CB C 13 38.6 0.3 . 1 . . . . 67 ASN CB . 19641 1 592 . 1 1 68 68 ASN N N 15 116.8 0.3 . 1 . . . . 67 ASN N . 19641 1 593 . 1 1 68 68 ASN ND2 N 15 111.7 0.3 . 1 . . . . 67 ASN ND2 . 19641 1 594 . 1 1 69 69 THR H H 1 7.73 0.02 . 1 . . . . 68 THR H . 19641 1 595 . 1 1 69 69 THR HA H 1 4.93 0.02 . 1 . . . . 68 THR HA . 19641 1 596 . 1 1 69 69 THR HB H 1 3.93 0.02 . 1 . . . . 68 THR HB . 19641 1 597 . 1 1 69 69 THR HG21 H 1 1.04 0.02 . 1 . . . . 68 THR HG21 . 19641 1 598 . 1 1 69 69 THR HG22 H 1 1.04 0.02 . 1 . . . . 68 THR HG22 . 19641 1 599 . 1 1 69 69 THR HG23 H 1 1.04 0.02 . 1 . . . . 68 THR HG23 . 19641 1 600 . 1 1 69 69 THR C C 13 172.2 0.3 . 1 . . . . 68 THR C . 19641 1 601 . 1 1 69 69 THR CA C 13 62.3 0.3 . 1 . . . . 68 THR CA . 19641 1 602 . 1 1 69 69 THR CB C 13 72.3 0.3 . 1 . . . . 68 THR CB . 19641 1 603 . 1 1 69 69 THR CG2 C 13 21 0.3 . 1 . . . . 68 THR CG2 . 19641 1 604 . 1 1 69 69 THR N N 15 114 0.3 . 1 . . . . 68 THR N . 19641 1 605 . 1 1 70 70 ALA H H 1 9.82 0.02 . 1 . . . . 69 ALA H . 19641 1 606 . 1 1 70 70 ALA HA H 1 5.52 0.02 . 1 . . . . 69 ALA HA . 19641 1 607 . 1 1 70 70 ALA HB1 H 1 1.51 0.02 . 1 . . . . 69 ALA HB1 . 19641 1 608 . 1 1 70 70 ALA HB2 H 1 1.51 0.02 . 1 . . . . 69 ALA HB2 . 19641 1 609 . 1 1 70 70 ALA HB3 H 1 1.51 0.02 . 1 . . . . 69 ALA HB3 . 19641 1 610 . 1 1 70 70 ALA C C 13 175.7 0.3 . 1 . . . . 69 ALA C . 19641 1 611 . 1 1 70 70 ALA CA C 13 50.2 0.3 . 1 . . . . 69 ALA CA . 19641 1 612 . 1 1 70 70 ALA CB C 13 20.5 0.3 . 1 . . . . 69 ALA CB . 19641 1 613 . 1 1 70 70 ALA N N 15 132.8 0.3 . 1 . . . . 69 ALA N . 19641 1 614 . 1 1 71 71 THR H H 1 8.7 0.02 . 1 . . . . 70 THR H . 19641 1 615 . 1 1 71 71 THR HA H 1 5.24 0.02 . 1 . . . . 70 THR HA . 19641 1 616 . 1 1 71 71 THR HB H 1 3.71 0.02 . 1 . . . . 70 THR HB . 19641 1 617 . 1 1 71 71 THR HG21 H 1 0.79 0.02 . 1 . . . . 70 THR HG21 . 19641 1 618 . 1 1 71 71 THR HG22 H 1 0.79 0.02 . 1 . . . . 70 THR HG22 . 19641 1 619 . 1 1 71 71 THR HG23 H 1 0.79 0.02 . 1 . . . . 70 THR HG23 . 19641 1 620 . 1 1 71 71 THR C C 13 172.8 0.3 . 1 . . . . 70 THR C . 19641 1 621 . 1 1 71 71 THR CA C 13 61.4 0.3 . 1 . . . . 70 THR CA . 19641 1 622 . 1 1 71 71 THR CB C 13 71.1 0.3 . 1 . . . . 70 THR CB . 19641 1 623 . 1 1 71 71 THR CG2 C 13 20.7 0.3 . 1 . . . . 70 THR CG2 . 19641 1 624 . 1 1 71 71 THR N N 15 118 0.3 . 1 . . . . 70 THR N . 19641 1 625 . 1 1 72 72 LEU H H 1 8.83 0.02 . 1 . . . . 71 LEU H . 19641 1 626 . 1 1 72 72 LEU HA H 1 4.39 0.02 . 1 . . . . 71 LEU HA . 19641 1 627 . 1 1 72 72 LEU HB2 H 1 0.24 0.02 . 2 . . . . 71 LEU HB2 . 19641 1 628 . 1 1 72 72 LEU HB3 H 1 0.32 0.02 . 2 . . . . 71 LEU HB3 . 19641 1 629 . 1 1 72 72 LEU HD11 H 1 -1.57 0.02 . 1 . . . . 71 LEU HD11 . 19641 1 630 . 1 1 72 72 LEU HD12 H 1 -1.57 0.02 . 1 . . . . 71 LEU HD12 . 19641 1 631 . 1 1 72 72 LEU HD13 H 1 -1.57 0.02 . 1 . . . . 71 LEU HD13 . 19641 1 632 . 1 1 72 72 LEU HD21 H 1 -1.54 0.02 . 1 . . . . 71 LEU HD21 . 19641 1 633 . 1 1 72 72 LEU HD22 H 1 -1.54 0.02 . 1 . . . . 71 LEU HD22 . 19641 1 634 . 1 1 72 72 LEU HD23 H 1 -1.54 0.02 . 1 . . . . 71 LEU HD23 . 19641 1 635 . 1 1 72 72 LEU C C 13 173.7 0.3 . 1 . . . . 71 LEU C . 19641 1 636 . 1 1 72 72 LEU CA C 13 52.9 0.3 . 1 . . . . 71 LEU CA . 19641 1 637 . 1 1 72 72 LEU N N 15 132.6 0.3 . 1 . . . . 71 LEU N . 19641 1 638 . 1 1 73 73 THR H H 1 8.97 0.02 . 1 . . . . 72 THR H . 19641 1 639 . 1 1 73 73 THR HA H 1 4.84 0.02 . 1 . . . . 72 THR HA . 19641 1 640 . 1 1 73 73 THR HB H 1 3.62 0.02 . 1 . . . . 72 THR HB . 19641 1 641 . 1 1 73 73 THR HG21 H 1 0.77 0.02 . 1 . . . . 72 THR HG21 . 19641 1 642 . 1 1 73 73 THR HG22 H 1 0.77 0.02 . 1 . . . . 72 THR HG22 . 19641 1 643 . 1 1 73 73 THR HG23 H 1 0.77 0.02 . 1 . . . . 72 THR HG23 . 19641 1 644 . 1 1 73 73 THR C C 13 173 0.3 . 1 . . . . 72 THR C . 19641 1 645 . 1 1 73 73 THR CA C 13 60.9 0.3 . 1 . . . . 72 THR CA . 19641 1 646 . 1 1 73 73 THR CB C 13 69.7 0.3 . 1 . . . . 72 THR CB . 19641 1 647 . 1 1 73 73 THR CG2 C 13 21.3 0.3 . 1 . . . . 72 THR CG2 . 19641 1 648 . 1 1 73 73 THR N N 15 124 0.3 . 1 . . . . 72 THR N . 19641 1 649 . 1 1 74 74 ILE H H 1 8.81 0.02 . 1 . . . . 73 ILE H . 19641 1 650 . 1 1 74 74 ILE HA H 1 4.17 0.02 . 1 . . . . 73 ILE HA . 19641 1 651 . 1 1 74 74 ILE HB H 1 1.44 0.02 . 1 . . . . 73 ILE HB . 19641 1 652 . 1 1 74 74 ILE HG12 H 1 0.03 0.02 . 1 . . . . 73 ILE HG12 . 19641 1 653 . 1 1 74 74 ILE C C 13 174.9 0.3 . 1 . . . . 73 ILE C . 19641 1 654 . 1 1 74 74 ILE CA C 13 59.7 0.3 . 1 . . . . 73 ILE CA . 19641 1 655 . 1 1 74 74 ILE CB C 13 38.5 0.3 . 1 . . . . 73 ILE CB . 19641 1 656 . 1 1 74 74 ILE N N 15 126.3 0.3 . 1 . . . . 73 ILE N . 19641 1 657 . 1 1 75 75 SER H H 1 8.56 0.02 . 1 . . . . 74 SER H . 19641 1 658 . 1 1 75 75 SER HA H 1 4.3 0.02 . 1 . . . . 74 SER HA . 19641 1 659 . 1 1 75 75 SER HB2 H 1 3.74 0.02 . 2 . . . . 74 SER HB2 . 19641 1 660 . 1 1 75 75 SER HB3 H 1 3.65 0.02 . 2 . . . . 74 SER HB3 . 19641 1 661 . 1 1 75 75 SER HG H 1 5.79 0.02 . 1 . . . . 74 SER HG . 19641 1 662 . 1 1 75 75 SER C C 13 174.5 0.3 . 1 . . . . 74 SER C . 19641 1 663 . 1 1 75 75 SER CA C 13 57.5 0.3 . 1 . . . . 74 SER CA . 19641 1 664 . 1 1 75 75 SER CB C 13 63.6 0.3 . 1 . . . . 74 SER CB . 19641 1 665 . 1 1 75 75 SER N N 15 121.4 0.3 . 1 . . . . 74 SER N . 19641 1 666 . 1 1 76 76 GLY H H 1 8.37 0.02 . 1 . . . . 75 GLY H . 19641 1 667 . 1 1 76 76 GLY HA2 H 1 3.95 0.02 . 2 . . . . 75 GLY HA2 . 19641 1 668 . 1 1 76 76 GLY HA3 H 1 3.52 0.02 . 2 . . . . 75 GLY HA3 . 19641 1 669 . 1 1 76 76 GLY C C 13 174.6 0.3 . 1 . . . . 75 GLY C . 19641 1 670 . 1 1 76 76 GLY CA C 13 47.3 0.3 . 1 . . . . 75 GLY CA . 19641 1 671 . 1 1 76 76 GLY N N 15 111 0.3 . 1 . . . . 75 GLY N . 19641 1 672 . 1 1 77 77 THR H H 1 7.33 0.02 . 1 . . . . 76 THR H . 19641 1 673 . 1 1 77 77 THR HA H 1 3.52 0.02 . 1 . . . . 76 THR HA . 19641 1 674 . 1 1 77 77 THR HB H 1 3.66 0.02 . 1 . . . . 76 THR HB . 19641 1 675 . 1 1 77 77 THR HG21 H 1 1 0.02 . 1 . . . . 76 THR HG21 . 19641 1 676 . 1 1 77 77 THR HG22 H 1 1 0.02 . 1 . . . . 76 THR HG22 . 19641 1 677 . 1 1 77 77 THR HG23 H 1 1 0.02 . 1 . . . . 76 THR HG23 . 19641 1 678 . 1 1 77 77 THR C C 13 174.3 0.3 . 1 . . . . 76 THR C . 19641 1 679 . 1 1 77 77 THR CA C 13 65.1 0.3 . 1 . . . . 76 THR CA . 19641 1 680 . 1 1 77 77 THR CB C 13 68.9 0.3 . 1 . . . . 76 THR CB . 19641 1 681 . 1 1 77 77 THR CG2 C 13 22.7 0.3 . 1 . . . . 76 THR CG2 . 19641 1 682 . 1 1 77 77 THR N N 15 112.2 0.3 . 1 . . . . 76 THR N . 19641 1 683 . 1 1 78 78 GLN H H 1 9.09 0.02 . 1 . . . . 77 GLN H . 19641 1 684 . 1 1 78 78 GLN HA H 1 4.66 0.02 . 1 . . . . 77 GLN HA . 19641 1 685 . 1 1 78 78 GLN HB2 H 1 1.62 0.02 . 2 . . . . 77 GLN HB2 . 19641 1 686 . 1 1 78 78 GLN HB3 H 1 1.69 0.02 . 2 . . . . 77 GLN HB3 . 19641 1 687 . 1 1 78 78 GLN HG2 H 1 2.48 0.02 . 2 . . . . 77 GLN HG2 . 19641 1 688 . 1 1 78 78 GLN HG3 H 1 2.38 0.02 . 2 . . . . 77 GLN HG3 . 19641 1 689 . 1 1 78 78 GLN HE21 H 1 7.36 0.02 . 1 . . . . 77 GLN HE21 . 19641 1 690 . 1 1 78 78 GLN HE22 H 1 6.81 0.02 . 1 . . . . 77 GLN HE22 . 19641 1 691 . 1 1 78 78 GLN C C 13 176.6 0.3 . 1 . . . . 77 GLN C . 19641 1 692 . 1 1 78 78 GLN CA C 13 53 0.3 . 1 . . . . 77 GLN CA . 19641 1 693 . 1 1 78 78 GLN CB C 13 32.6 0.3 . 1 . . . . 77 GLN CB . 19641 1 694 . 1 1 78 78 GLN N N 15 124.8 0.3 . 1 . . . . 77 GLN N . 19641 1 695 . 1 1 78 78 GLN NE2 N 15 111.7 0.3 . 1 . . . . 77 GLN NE2 . 19641 1 696 . 1 1 79 79 ALA H H 1 9.19 0.02 . 1 . . . . 78 ALA H . 19641 1 697 . 1 1 79 79 ALA HA H 1 3.97 0.02 . 1 . . . . 78 ALA HA . 19641 1 698 . 1 1 79 79 ALA HB1 H 1 1.46 0.02 . 1 . . . . 78 ALA HB1 . 19641 1 699 . 1 1 79 79 ALA HB2 H 1 1.46 0.02 . 1 . . . . 78 ALA HB2 . 19641 1 700 . 1 1 79 79 ALA HB3 H 1 1.46 0.02 . 1 . . . . 78 ALA HB3 . 19641 1 701 . 1 1 79 79 ALA C C 13 180.4 0.3 . 1 . . . . 78 ALA C . 19641 1 702 . 1 1 79 79 ALA CA C 13 56 0.3 . 1 . . . . 78 ALA CA . 19641 1 703 . 1 1 79 79 ALA CB C 13 17.7 0.3 . 1 . . . . 78 ALA CB . 19641 1 704 . 1 1 79 79 ALA N N 15 125 0.3 . 1 . . . . 78 ALA N . 19641 1 705 . 1 1 80 80 MET H H 1 8.26 0.02 . 1 . . . . 79 MET H . 19641 1 706 . 1 1 80 80 MET HA H 1 4.41 0.02 . 1 . . . . 79 MET HA . 19641 1 707 . 1 1 80 80 MET HB2 H 1 2.23 0.02 . 2 . . . . 79 MET HB2 . 19641 1 708 . 1 1 80 80 MET HB3 H 1 2.15 0.02 . 2 . . . . 79 MET HB3 . 19641 1 709 . 1 1 80 80 MET HG2 H 1 2.46 0.02 . 2 . . . . 79 MET HG2 . 19641 1 710 . 1 1 80 80 MET HG3 H 1 2.38 0.02 . 2 . . . . 79 MET HG3 . 19641 1 711 . 1 1 80 80 MET HE1 H 1 2.08 0.02 . 1 . . . . 79 MET HE1 . 19641 1 712 . 1 1 80 80 MET HE2 H 1 2.08 0.02 . 1 . . . . 79 MET HE2 . 19641 1 713 . 1 1 80 80 MET HE3 H 1 2.08 0.02 . 1 . . . . 79 MET HE3 . 19641 1 714 . 1 1 80 80 MET C C 13 175.3 0.3 . 1 . . . . 79 MET C . 19641 1 715 . 1 1 80 80 MET CA C 13 57.2 0.3 . 1 . . . . 79 MET CA . 19641 1 716 . 1 1 80 80 MET CB C 13 31.9 0.3 . 1 . . . . 79 MET CB . 19641 1 717 . 1 1 80 80 MET CE C 13 16.6 0.3 . 1 . . . . 79 MET CE . 19641 1 718 . 1 1 80 80 MET N N 15 112.6 0.3 . 1 . . . . 79 MET N . 19641 1 719 . 1 1 81 81 ASP H H 1 8.31 0.02 . 1 . . . . 80 ASP H . 19641 1 720 . 1 1 81 81 ASP HA H 1 4.6 0.02 . 1 . . . . 80 ASP HA . 19641 1 721 . 1 1 81 81 ASP HB2 H 1 2.8 0.02 . 2 . . . . 80 ASP HB2 . 19641 1 722 . 1 1 81 81 ASP HB3 H 1 2.84 0.02 . 2 . . . . 80 ASP HB3 . 19641 1 723 . 1 1 81 81 ASP C C 13 177.1 0.3 . 1 . . . . 80 ASP C . 19641 1 724 . 1 1 81 81 ASP CA C 13 54.4 0.3 . 1 . . . . 80 ASP CA . 19641 1 725 . 1 1 81 81 ASP CB C 13 40.8 0.3 . 1 . . . . 80 ASP CB . 19641 1 726 . 1 1 81 81 ASP N N 15 119.5 0.3 . 1 . . . . 80 ASP N . 19641 1 727 . 1 1 82 82 GLU H H 1 7.62 0.02 . 1 . . . . 81 GLU H . 19641 1 728 . 1 1 82 82 GLU HA H 1 4.07 0.02 . 1 . . . . 81 GLU HA . 19641 1 729 . 1 1 82 82 GLU HB2 H 1 2.23 0.02 . 2 . . . . 81 GLU HB2 . 19641 1 730 . 1 1 82 82 GLU HB3 H 1 2.17 0.02 . 2 . . . . 81 GLU HB3 . 19641 1 731 . 1 1 82 82 GLU HG2 H 1 3.09 0.02 . 1 . . . . 81 GLU HG2 . 19641 1 732 . 1 1 82 82 GLU HG3 H 1 3.09 0.02 . 1 . . . . 81 GLU HG3 . 19641 1 733 . 1 1 82 82 GLU C C 13 175.1 0.3 . 1 . . . . 81 GLU C . 19641 1 734 . 1 1 82 82 GLU CA C 13 59.1 0.3 . 1 . . . . 81 GLU CA . 19641 1 735 . 1 1 82 82 GLU CB C 13 29.9 0.3 . 1 . . . . 81 GLU CB . 19641 1 736 . 1 1 82 82 GLU CG C 13 36.6 0.3 . 1 . . . . 81 GLU CG . 19641 1 737 . 1 1 82 82 GLU N N 15 122 0.3 . 1 . . . . 81 GLU N . 19641 1 738 . 1 1 83 83 ALA H H 1 8.1 0.02 . 1 . . . . 82 ALA H . 19641 1 739 . 1 1 83 83 ALA HA H 1 4.39 0.02 . 1 . . . . 82 ALA HA . 19641 1 740 . 1 1 83 83 ALA HB1 H 1 1.02 0.02 . 1 . . . . 82 ALA HB1 . 19641 1 741 . 1 1 83 83 ALA HB2 H 1 1.02 0.02 . 1 . . . . 82 ALA HB2 . 19641 1 742 . 1 1 83 83 ALA HB3 H 1 1.02 0.02 . 1 . . . . 82 ALA HB3 . 19641 1 743 . 1 1 83 83 ALA C C 13 174.3 0.3 . 1 . . . . 82 ALA C . 19641 1 744 . 1 1 83 83 ALA CA C 13 51.4 0.3 . 1 . . . . 82 ALA CA . 19641 1 745 . 1 1 83 83 ALA CB C 13 20.8 0.3 . 1 . . . . 82 ALA CB . 19641 1 746 . 1 1 83 83 ALA N N 15 126.3 0.3 . 1 . . . . 82 ALA N . 19641 1 747 . 1 1 84 84 ASP H H 1 7.92 0.02 . 1 . . . . 83 ASP H . 19641 1 748 . 1 1 84 84 ASP HA H 1 5.59 0.02 . 1 . . . . 83 ASP HA . 19641 1 749 . 1 1 84 84 ASP HB2 H 1 2.61 0.02 . 2 . . . . 83 ASP HB2 . 19641 1 750 . 1 1 84 84 ASP HB3 H 1 2.23 0.02 . 2 . . . . 83 ASP HB3 . 19641 1 751 . 1 1 84 84 ASP C C 13 175.1 0.3 . 1 . . . . 83 ASP C . 19641 1 752 . 1 1 84 84 ASP CA C 13 53.6 0.3 . 1 . . . . 83 ASP CA . 19641 1 753 . 1 1 84 84 ASP CB C 13 43 0.3 . 1 . . . . 83 ASP CB . 19641 1 754 . 1 1 84 84 ASP N N 15 117.7 0.3 . 1 . . . . 83 ASP N . 19641 1 755 . 1 1 85 85 TYR H H 1 9.33 0.02 . 1 . . . . 84 TYR H . 19641 1 756 . 1 1 85 85 TYR HA H 1 5.58 0.02 . 1 . . . . 84 TYR HA . 19641 1 757 . 1 1 85 85 TYR HB2 H 1 2.85 0.02 . 1 . . . . 84 TYR HB2 . 19641 1 758 . 1 1 85 85 TYR HB3 H 1 2.85 0.02 . 1 . . . . 84 TYR HB3 . 19641 1 759 . 1 1 85 85 TYR HD2 H 1 7 0.02 . 1 . . . . 84 TYR HD2 . 19641 1 760 . 1 1 85 85 TYR HE2 H 1 6.92 0.02 . 1 . . . . 84 TYR HE2 . 19641 1 761 . 1 1 85 85 TYR C C 13 176.3 0.3 . 1 . . . . 84 TYR C . 19641 1 762 . 1 1 85 85 TYR CA C 13 56.9 0.3 . 1 . . . . 84 TYR CA . 19641 1 763 . 1 1 85 85 TYR CB C 13 41.8 0.3 . 1 . . . . 84 TYR CB . 19641 1 764 . 1 1 85 85 TYR N N 15 119.5 0.3 . 1 . . . . 84 TYR N . 19641 1 765 . 1 1 86 86 TYR H H 1 9.86 0.02 . 1 . . . . 85 TYR H . 19641 1 766 . 1 1 86 86 TYR HA H 1 4.94 0.02 . 1 . . . . 85 TYR HA . 19641 1 767 . 1 1 86 86 TYR HB2 H 1 2.8 0.02 . 2 . . . . 85 TYR HB2 . 19641 1 768 . 1 1 86 86 TYR HB3 H 1 3.25 0.02 . 2 . . . . 85 TYR HB3 . 19641 1 769 . 1 1 86 86 TYR HD2 H 1 6.96 0.02 . 1 . . . . 85 TYR HD2 . 19641 1 770 . 1 1 86 86 TYR HE2 H 1 6.88 0.02 . 1 . . . . 85 TYR HE2 . 19641 1 771 . 1 1 86 86 TYR C C 13 174 0.3 . 1 . . . . 85 TYR C . 19641 1 772 . 1 1 86 86 TYR CA C 13 57.7 0.3 . 1 . . . . 85 TYR CA . 19641 1 773 . 1 1 86 86 TYR CB C 13 41.7 0.3 . 1 . . . . 85 TYR CB . 19641 1 774 . 1 1 86 86 TYR N N 15 123.9 0.3 . 1 . . . . 85 TYR N . 19641 1 775 . 1 1 87 87 CYS H H 1 7.95 0.02 . 1 . . . . 86 CYS H . 19641 1 776 . 1 1 87 87 CYS HA H 1 4.93 0.02 . 1 . . . . 86 CYS HA . 19641 1 777 . 1 1 87 87 CYS HB2 H 1 1.53 0.02 . 2 . . . . 86 CYS HB2 . 19641 1 778 . 1 1 87 87 CYS HB3 H 1 1.62 0.02 . 2 . . . . 86 CYS HB3 . 19641 1 779 . 1 1 87 87 CYS C C 13 173 0.3 . 1 . . . . 86 CYS C . 19641 1 780 . 1 1 87 87 CYS CA C 13 52.8 0.3 . 1 . . . . 86 CYS CA . 19641 1 781 . 1 1 87 87 CYS CB C 13 45.2 0.3 . 1 . . . . 86 CYS CB . 19641 1 782 . 1 1 87 87 CYS N N 15 119 0.3 . 1 . . . . 86 CYS N . 19641 1 783 . 1 1 88 88 GLN H H 1 8.98 0.02 . 1 . . . . 87 GLN H . 19641 1 784 . 1 1 88 88 GLN HA H 1 4.89 0.02 . 1 . . . . 87 GLN HA . 19641 1 785 . 1 1 88 88 GLN HB2 H 1 1.67 0.02 . 2 . . . . 87 GLN HB2 . 19641 1 786 . 1 1 88 88 GLN HB3 H 1 1.56 0.02 . 2 . . . . 87 GLN HB3 . 19641 1 787 . 1 1 88 88 GLN HG2 H 1 1.93 0.02 . 2 . . . . 87 GLN HG2 . 19641 1 788 . 1 1 88 88 GLN HG3 H 1 2 0.02 . 2 . . . . 87 GLN HG3 . 19641 1 789 . 1 1 88 88 GLN HE21 H 1 7.19 0.02 . 1 . . . . 87 GLN HE21 . 19641 1 790 . 1 1 88 88 GLN HE22 H 1 6.57 0.02 . 1 . . . . 87 GLN HE22 . 19641 1 791 . 1 1 88 88 GLN C C 13 173 0.3 . 1 . . . . 87 GLN C . 19641 1 792 . 1 1 88 88 GLN CA C 13 53.8 0.3 . 1 . . . . 87 GLN CA . 19641 1 793 . 1 1 88 88 GLN CB C 13 33.1 0.3 . 1 . . . . 87 GLN CB . 19641 1 794 . 1 1 88 88 GLN N N 15 121.9 0.3 . 1 . . . . 87 GLN N . 19641 1 795 . 1 1 88 88 GLN NE2 N 15 110.7 0.3 . 1 . . . . 87 GLN NE2 . 19641 1 796 . 1 1 89 89 ALA H H 1 8.61 0.02 . 1 . . . . 88 ALA H . 19641 1 797 . 1 1 89 89 ALA HA H 1 4.79 0.02 . 1 . . . . 88 ALA HA . 19641 1 798 . 1 1 89 89 ALA HB1 H 1 1.01 0.02 . 1 . . . . 88 ALA HB1 . 19641 1 799 . 1 1 89 89 ALA HB2 H 1 1.01 0.02 . 1 . . . . 88 ALA HB2 . 19641 1 800 . 1 1 89 89 ALA HB3 H 1 1.01 0.02 . 1 . . . . 88 ALA HB3 . 19641 1 801 . 1 1 89 89 ALA C C 13 175 0.3 . 1 . . . . 88 ALA C . 19641 1 802 . 1 1 89 89 ALA CA C 13 50.7 0.3 . 1 . . . . 88 ALA CA . 19641 1 803 . 1 1 89 89 ALA CB C 13 22.4 0.3 . 1 . . . . 88 ALA CB . 19641 1 804 . 1 1 89 89 ALA N N 15 121.6 0.3 . 1 . . . . 88 ALA N . 19641 1 805 . 1 1 90 90 ALA H H 1 9.13 0.02 . 1 . . . . 89 ALA H . 19641 1 806 . 1 1 90 90 ALA HA H 1 5.02 0.02 . 1 . . . . 89 ALA HA . 19641 1 807 . 1 1 90 90 ALA HB1 H 1 1.4 0.02 . 1 . . . . 89 ALA HB1 . 19641 1 808 . 1 1 90 90 ALA HB2 H 1 1.4 0.02 . 1 . . . . 89 ALA HB2 . 19641 1 809 . 1 1 90 90 ALA HB3 H 1 1.4 0.02 . 1 . . . . 89 ALA HB3 . 19641 1 810 . 1 1 90 90 ALA C C 13 176.5 0.3 . 1 . . . . 89 ALA C . 19641 1 811 . 1 1 90 90 ALA CA C 13 51.3 0.3 . 1 . . . . 89 ALA CA . 19641 1 812 . 1 1 90 90 ALA CB C 13 23.7 0.3 . 1 . . . . 89 ALA CB . 19641 1 813 . 1 1 90 90 ALA N N 15 123 0.3 . 1 . . . . 89 ALA N . 19641 1 814 . 1 1 91 91 ASP H H 1 8.46 0.02 . 1 . . . . 90 ASP H . 19641 1 815 . 1 1 91 91 ASP HA H 1 4.98 0.02 . 1 . . . . 90 ASP HA . 19641 1 816 . 1 1 91 91 ASP HB2 H 1 2.65 0.02 . 2 . . . . 90 ASP HB2 . 19641 1 817 . 1 1 91 91 ASP HB3 H 1 2.73 0.02 . 2 . . . . 90 ASP HB3 . 19641 1 818 . 1 1 91 91 ASP C C 13 176.5 0.3 . 1 . . . . 90 ASP C . 19641 1 819 . 1 1 91 91 ASP CA C 13 52.8 0.3 . 1 . . . . 90 ASP CA . 19641 1 820 . 1 1 91 91 ASP CB C 13 41.9 0.3 . 1 . . . . 90 ASP CB . 19641 1 821 . 1 1 91 91 ASP N N 15 121.6 0.3 . 1 . . . . 90 ASP N . 19641 1 822 . 1 1 92 92 SER H H 1 8.36 0.02 . 1 . . . . 91 SER H . 19641 1 823 . 1 1 92 92 SER HA H 1 4.8 0.02 . 1 . . . . 91 SER HA . 19641 1 824 . 1 1 92 92 SER HB2 H 1 3.94 0.02 . 2 . . . . 91 SER HB2 . 19641 1 825 . 1 1 92 92 SER HB3 H 1 4.01 0.02 . 2 . . . . 91 SER HB3 . 19641 1 826 . 1 1 92 92 SER C C 13 174.8 0.3 . 1 . . . . 91 SER C . 19641 1 827 . 1 1 92 92 SER CA C 13 59.7 0.3 . 1 . . . . 91 SER CA . 19641 1 828 . 1 1 92 92 SER CB C 13 63.3 0.3 . 1 . . . . 91 SER CB . 19641 1 829 . 1 1 92 92 SER N N 15 113.2 0.3 . 1 . . . . 91 SER N . 19641 1 830 . 1 1 93 93 SER H H 1 8.67 0.02 . 1 . . . . 92 SER H . 19641 1 831 . 1 1 93 93 SER HA H 1 4.63 0.02 . 1 . . . . 92 SER HA . 19641 1 832 . 1 1 93 93 SER HB2 H 1 4 0.02 . 2 . . . . 92 SER HB2 . 19641 1 833 . 1 1 93 93 SER HB3 H 1 4.07 0.02 . 2 . . . . 92 SER HB3 . 19641 1 834 . 1 1 93 93 SER CA C 13 59.1 0.3 . 1 . . . . 92 SER CA . 19641 1 835 . 1 1 93 93 SER CB C 13 64.4 0.3 . 1 . . . . 92 SER CB . 19641 1 836 . 1 1 93 93 SER N N 15 117.6 0.3 . 1 . . . . 92 SER N . 19641 1 837 . 1 1 94 94 GLY H H 1 8.44 0.02 . 1 . . . . 93 GLY H . 19641 1 838 . 1 1 94 94 GLY HA2 H 1 3.88 0.02 . 2 . . . . 93 GLY HA2 . 19641 1 839 . 1 1 94 94 GLY HA3 H 1 3.94 0.02 . 2 . . . . 93 GLY HA3 . 19641 1 840 . 1 1 94 94 GLY C C 13 173.6 0.3 . 1 . . . . 93 GLY C . 19641 1 841 . 1 1 94 94 GLY CA C 13 45 0.3 . 1 . . . . 93 GLY CA . 19641 1 842 . 1 1 94 94 GLY N N 15 108.9 0.3 . 1 . . . . 93 GLY N . 19641 1 843 . 1 1 95 95 ALA H H 1 8.1 0.02 . 1 . . . . 94 ALA H . 19641 1 844 . 1 1 95 95 ALA HA H 1 4.35 0.02 . 1 . . . . 94 ALA HA . 19641 1 845 . 1 1 95 95 ALA HB1 H 1 1.33 0.02 . 1 . . . . 94 ALA HB1 . 19641 1 846 . 1 1 95 95 ALA HB2 H 1 1.33 0.02 . 1 . . . . 94 ALA HB2 . 19641 1 847 . 1 1 95 95 ALA HB3 H 1 1.33 0.02 . 1 . . . . 94 ALA HB3 . 19641 1 848 . 1 1 95 95 ALA C C 13 177 0.3 . 1 . . . . 94 ALA C . 19641 1 849 . 1 1 95 95 ALA CA C 13 52.5 0.3 . 1 . . . . 94 ALA CA . 19641 1 850 . 1 1 95 95 ALA CB C 13 19 0.3 . 1 . . . . 94 ALA CB . 19641 1 851 . 1 1 95 95 ALA N N 15 125.6 0.3 . 1 . . . . 94 ALA N . 19641 1 852 . 1 1 96 96 VAL H H 1 8.11 0.02 . 1 . . . . 95 VAL H . 19641 1 853 . 1 1 96 96 VAL HA H 1 4.31 0.02 . 1 . . . . 95 VAL HA . 19641 1 854 . 1 1 96 96 VAL HB H 1 1.71 0.02 . 1 . . . . 95 VAL HB . 19641 1 855 . 1 1 96 96 VAL HG11 H 1 0.42 0.02 . 1 . . . . 95 VAL HG11 . 19641 1 856 . 1 1 96 96 VAL HG12 H 1 0.42 0.02 . 1 . . . . 95 VAL HG12 . 19641 1 857 . 1 1 96 96 VAL HG13 H 1 0.42 0.02 . 1 . . . . 95 VAL HG13 . 19641 1 858 . 1 1 96 96 VAL HG21 H 1 0.77 0.02 . 1 . . . . 95 VAL HG21 . 19641 1 859 . 1 1 96 96 VAL HG22 H 1 0.77 0.02 . 1 . . . . 95 VAL HG22 . 19641 1 860 . 1 1 96 96 VAL HG23 H 1 0.77 0.02 . 1 . . . . 95 VAL HG23 . 19641 1 861 . 1 1 96 96 VAL C C 13 175.2 0.3 . 1 . . . . 95 VAL C . 19641 1 862 . 1 1 96 96 VAL CA C 13 61.6 0.3 . 1 . . . . 95 VAL CA . 19641 1 863 . 1 1 96 96 VAL CB C 13 33.3 0.3 . 1 . . . . 95 VAL CB . 19641 1 864 . 1 1 96 96 VAL CG1 C 13 21.4 0.3 . 1 . . . . 95 VAL CG1 . 19641 1 865 . 1 1 96 96 VAL CG2 C 13 20.8 0.3 . 1 . . . . 95 VAL CG2 . 19641 1 866 . 1 1 96 96 VAL N N 15 121.8 0.3 . 1 . . . . 95 VAL N . 19641 1 867 . 1 1 97 97 VAL H H 1 8.22 0.02 . 1 . . . . 96 VAL H . 19641 1 868 . 1 1 97 97 VAL HA H 1 4.39 0.02 . 1 . . . . 96 VAL HA . 19641 1 869 . 1 1 97 97 VAL HB H 1 1.94 0.02 . 1 . . . . 96 VAL HB . 19641 1 870 . 1 1 97 97 VAL HG11 H 1 0.88 0.02 . 1 . . . . 96 VAL HG11 . 19641 1 871 . 1 1 97 97 VAL HG12 H 1 0.88 0.02 . 1 . . . . 96 VAL HG12 . 19641 1 872 . 1 1 97 97 VAL HG13 H 1 0.88 0.02 . 1 . . . . 96 VAL HG13 . 19641 1 873 . 1 1 97 97 VAL HG21 H 1 0.76 0.02 . 1 . . . . 96 VAL HG21 . 19641 1 874 . 1 1 97 97 VAL HG22 H 1 0.76 0.02 . 1 . . . . 96 VAL HG22 . 19641 1 875 . 1 1 97 97 VAL HG23 H 1 0.76 0.02 . 1 . . . . 96 VAL HG23 . 19641 1 876 . 1 1 97 97 VAL C C 13 174.4 0.3 . 1 . . . . 96 VAL C . 19641 1 877 . 1 1 97 97 VAL CA C 13 59.8 0.3 . 1 . . . . 96 VAL CA . 19641 1 878 . 1 1 97 97 VAL CB C 13 34.6 0.3 . 1 . . . . 96 VAL CB . 19641 1 879 . 1 1 97 97 VAL CG1 C 13 20.3 0.3 . 1 . . . . 96 VAL CG1 . 19641 1 880 . 1 1 97 97 VAL CG2 C 13 21.9 0.3 . 1 . . . . 96 VAL CG2 . 19641 1 881 . 1 1 97 97 VAL N N 15 119.9 0.3 . 1 . . . . 96 VAL N . 19641 1 882 . 1 1 98 98 PHE H H 1 8.79 0.02 . 1 . . . . 97 PHE H . 19641 1 883 . 1 1 98 98 PHE HA H 1 4.97 0.02 . 1 . . . . 97 PHE HA . 19641 1 884 . 1 1 98 98 PHE HB2 H 1 3.05 0.02 . 2 . . . . 97 PHE HB2 . 19641 1 885 . 1 1 98 98 PHE HB3 H 1 3.47 0.02 . 2 . . . . 97 PHE HB3 . 19641 1 886 . 1 1 98 98 PHE HD2 H 1 7.3 0.02 . 1 . . . . 97 PHE HD2 . 19641 1 887 . 1 1 98 98 PHE HE2 H 1 7.34 0.02 . 1 . . . . 97 PHE HE2 . 19641 1 888 . 1 1 98 98 PHE CA C 13 58.5 0.3 . 1 . . . . 97 PHE CA . 19641 1 889 . 1 1 98 98 PHE CB C 13 34.6 0.3 . 1 . . . . 97 PHE CB . 19641 1 890 . 1 1 98 98 PHE N N 15 120.1 0.3 . 1 . . . . 97 PHE N . 19641 1 891 . 1 1 99 99 GLY H H 1 8.63 0.02 . 1 . . . . 98 GLY H . 19641 1 892 . 1 1 99 99 GLY HA2 H 1 4.06 0.02 . 2 . . . . 98 GLY HA2 . 19641 1 893 . 1 1 99 99 GLY HA3 H 1 4.92 0.02 . 2 . . . . 98 GLY HA3 . 19641 1 894 . 1 1 99 99 GLY C C 13 174.7 0.3 . 1 . . . . 98 GLY C . 19641 1 895 . 1 1 99 99 GLY CA C 13 44 0.3 . 1 . . . . 98 GLY CA . 19641 1 896 . 1 1 99 99 GLY N N 15 108.2 0.3 . 1 . . . . 98 GLY N . 19641 1 897 . 1 1 100 100 GLY H H 1 8.23 0.02 . 1 . . . . 99 GLY H . 19641 1 898 . 1 1 100 100 GLY HA2 H 1 3.26 0.02 . 2 . . . . 99 GLY HA2 . 19641 1 899 . 1 1 100 100 GLY HA3 H 1 3.16 0.02 . 2 . . . . 99 GLY HA3 . 19641 1 900 . 1 1 100 100 GLY C C 13 174.8 0.3 . 1 . . . . 99 GLY C . 19641 1 901 . 1 1 100 100 GLY CA C 13 45 0.3 . 1 . . . . 99 GLY CA . 19641 1 902 . 1 1 100 100 GLY N N 15 105.4 0.3 . 1 . . . . 99 GLY N . 19641 1 903 . 1 1 101 101 GLY H H 1 7.19 0.02 . 1 . . . . 100 GLY H . 19641 1 904 . 1 1 101 101 GLY HA2 H 1 3.23 0.02 . 2 . . . . 100 GLY HA2 . 19641 1 905 . 1 1 101 101 GLY HA3 H 1 3.71 0.02 . 2 . . . . 100 GLY HA3 . 19641 1 906 . 1 1 101 101 GLY C C 13 172 0.3 . 1 . . . . 100 GLY C . 19641 1 907 . 1 1 101 101 GLY CA C 13 44.9 0.3 . 1 . . . . 100 GLY CA . 19641 1 908 . 1 1 101 101 GLY N N 15 107.3 0.3 . 1 . . . . 100 GLY N . 19641 1 909 . 1 1 102 102 THR H H 1 8.19 0.02 . 1 . . . . 101 THR H . 19641 1 910 . 1 1 102 102 THR HA H 1 4.63 0.02 . 1 . . . . 101 THR HA . 19641 1 911 . 1 1 102 102 THR HB H 1 3.68 0.02 . 1 . . . . 101 THR HB . 19641 1 912 . 1 1 102 102 THR HG21 H 1 1.13 0.02 . 1 . . . . 101 THR HG21 . 19641 1 913 . 1 1 102 102 THR HG22 H 1 1.13 0.02 . 1 . . . . 101 THR HG22 . 19641 1 914 . 1 1 102 102 THR HG23 H 1 1.13 0.02 . 1 . . . . 101 THR HG23 . 19641 1 915 . 1 1 102 102 THR C C 13 173.7 0.3 . 1 . . . . 101 THR C . 19641 1 916 . 1 1 102 102 THR CA C 13 61.1 0.3 . 1 . . . . 101 THR CA . 19641 1 917 . 1 1 102 102 THR CB C 13 73.3 0.3 . 1 . . . . 101 THR CB . 19641 1 918 . 1 1 102 102 THR CG2 C 13 22.4 0.3 . 1 . . . . 101 THR CG2 . 19641 1 919 . 1 1 102 102 THR N N 15 118.2 0.3 . 1 . . . . 101 THR N . 19641 1 920 . 1 1 103 103 LYS H H 1 8.42 0.02 . 1 . . . . 102 LYS H . 19641 1 921 . 1 1 103 103 LYS HA H 1 4.66 0.02 . 1 . . . . 102 LYS HA . 19641 1 922 . 1 1 103 103 LYS HB2 H 1 1.93 0.02 . 2 . . . . 102 LYS HB2 . 19641 1 923 . 1 1 103 103 LYS HB3 H 1 1.86 0.02 . 2 . . . . 102 LYS HB3 . 19641 1 924 . 1 1 103 103 LYS HG2 H 1 1.73 0.02 . 2 . . . . 102 LYS HG2 . 19641 1 925 . 1 1 103 103 LYS HG3 H 1 1.65 0.02 . 2 . . . . 102 LYS HG3 . 19641 1 926 . 1 1 103 103 LYS C C 13 175 0.3 . 1 . . . . 102 LYS C . 19641 1 927 . 1 1 103 103 LYS CA C 13 56.2 0.3 . 1 . . . . 102 LYS CA . 19641 1 928 . 1 1 103 103 LYS CB C 13 32.4 0.3 . 1 . . . . 102 LYS CB . 19641 1 929 . 1 1 103 103 LYS N N 15 128.7 0.3 . 1 . . . . 102 LYS N . 19641 1 930 . 1 1 104 104 LEU H H 1 9.1 0.02 . 1 . . . . 103 LEU H . 19641 1 931 . 1 1 104 104 LEU HA H 1 5.49 0.02 . 1 . . . . 103 LEU HA . 19641 1 932 . 1 1 104 104 LEU HB2 H 1 2.56 0.02 . 2 . . . . 103 LEU HB2 . 19641 1 933 . 1 1 104 104 LEU HB3 H 1 2.51 0.02 . 2 . . . . 103 LEU HB3 . 19641 1 934 . 1 1 104 104 LEU HG H 1 1.34 0.02 . 1 . . . . 103 LEU HG . 19641 1 935 . 1 1 104 104 LEU HD11 H 1 0.71 0.02 . 1 . . . . 103 LEU HD11 . 19641 1 936 . 1 1 104 104 LEU HD12 H 1 0.71 0.02 . 1 . . . . 103 LEU HD12 . 19641 1 937 . 1 1 104 104 LEU HD13 H 1 0.71 0.02 . 1 . . . . 103 LEU HD13 . 19641 1 938 . 1 1 104 104 LEU HD21 H 1 0.66 0.02 . 1 . . . . 103 LEU HD21 . 19641 1 939 . 1 1 104 104 LEU HD22 H 1 0.66 0.02 . 1 . . . . 103 LEU HD22 . 19641 1 940 . 1 1 104 104 LEU HD23 H 1 0.66 0.02 . 1 . . . . 103 LEU HD23 . 19641 1 941 . 1 1 104 104 LEU C C 13 175.1 0.3 . 1 . . . . 103 LEU C . 19641 1 942 . 1 1 104 104 LEU CA C 13 54.1 0.3 . 1 . . . . 103 LEU CA . 19641 1 943 . 1 1 104 104 LEU CB C 13 44.1 0.3 . 1 . . . . 103 LEU CB . 19641 1 944 . 1 1 104 104 LEU N N 15 133.6 0.3 . 1 . . . . 103 LEU N . 19641 1 945 . 1 1 105 105 THR H H 1 8.92 0.02 . 1 . . . . 104 THR H . 19641 1 946 . 1 1 105 105 THR HA H 1 4.59 0.02 . 1 . . . . 104 THR HA . 19641 1 947 . 1 1 105 105 THR HB H 1 4.02 0.02 . 1 . . . . 104 THR HB . 19641 1 948 . 1 1 105 105 THR HG21 H 1 1.18 0.02 . 1 . . . . 104 THR HG21 . 19641 1 949 . 1 1 105 105 THR HG22 H 1 1.18 0.02 . 1 . . . . 104 THR HG22 . 19641 1 950 . 1 1 105 105 THR HG23 H 1 1.18 0.02 . 1 . . . . 104 THR HG23 . 19641 1 951 . 1 1 105 105 THR C C 13 172.6 0.3 . 1 . . . . 104 THR C . 19641 1 952 . 1 1 105 105 THR CA C 13 61.3 0.3 . 1 . . . . 104 THR CA . 19641 1 953 . 1 1 105 105 THR CB C 13 70.8 0.3 . 1 . . . . 104 THR CB . 19641 1 954 . 1 1 105 105 THR CG2 C 13 21.8 0.3 . 1 . . . . 104 THR CG2 . 19641 1 955 . 1 1 105 105 THR N N 15 123.2 0.3 . 1 . . . . 104 THR N . 19641 1 956 . 1 1 106 106 VAL H H 1 8.95 0.02 . 1 . . . . 105 VAL H . 19641 1 957 . 1 1 106 106 VAL HA H 1 4.85 0.02 . 1 . . . . 105 VAL HA . 19641 1 958 . 1 1 106 106 VAL HB H 1 1.9 0.02 . 1 . . . . 105 VAL HB . 19641 1 959 . 1 1 106 106 VAL HG11 H 1 0.65 0.02 . 1 . . . . 105 VAL HG11 . 19641 1 960 . 1 1 106 106 VAL HG12 H 1 0.65 0.02 . 1 . . . . 105 VAL HG12 . 19641 1 961 . 1 1 106 106 VAL HG13 H 1 0.65 0.02 . 1 . . . . 105 VAL HG13 . 19641 1 962 . 1 1 106 106 VAL HG21 H 1 0.67 0.02 . 1 . . . . 105 VAL HG21 . 19641 1 963 . 1 1 106 106 VAL HG22 H 1 0.67 0.02 . 1 . . . . 105 VAL HG22 . 19641 1 964 . 1 1 106 106 VAL HG23 H 1 0.67 0.02 . 1 . . . . 105 VAL HG23 . 19641 1 965 . 1 1 106 106 VAL C C 13 175.1 0.3 . 1 . . . . 105 VAL C . 19641 1 966 . 1 1 106 106 VAL CA C 13 60.7 0.3 . 1 . . . . 105 VAL CA . 19641 1 967 . 1 1 106 106 VAL CB C 13 32.1 0.3 . 1 . . . . 105 VAL CB . 19641 1 968 . 1 1 106 106 VAL CG1 C 13 20.6 0.3 . 1 . . . . 105 VAL CG1 . 19641 1 969 . 1 1 106 106 VAL CG2 C 13 20.4 0.3 . 1 . . . . 105 VAL CG2 . 19641 1 970 . 1 1 106 106 VAL N N 15 126.8 0.3 . 1 . . . . 105 VAL N . 19641 1 971 . 1 1 107 107 LEU H H 1 8.6 0.02 . 1 . . . . 106 LEU H . 19641 1 972 . 1 1 107 107 LEU HA H 1 4.11 0.02 . 1 . . . . 106 LEU HA . 19641 1 973 . 1 1 107 107 LEU HB2 H 1 1.53 0.02 . 2 . . . . 106 LEU HB2 . 19641 1 974 . 1 1 107 107 LEU HB3 H 1 1.46 0.02 . 2 . . . . 106 LEU HB3 . 19641 1 975 . 1 1 107 107 LEU HG H 1 0.81 0.02 . 1 . . . . 106 LEU HG . 19641 1 976 . 1 1 107 107 LEU CA C 13 57.1 0.3 . 1 . . . . 106 LEU CA . 19641 1 977 . 1 1 107 107 LEU CB C 13 42.3 0.3 . 1 . . . . 106 LEU CB . 19641 1 978 . 1 1 107 107 LEU N N 15 133.8 0.3 . 1 . . . . 106 LEU N . 19641 1 stop_ save_