data_4929 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4929 _Entry.Title ; The 1H, 15N and 13C resonance assignments for the Tctex1 dynein light chain from Chlamydomonas flagella ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-19 _Entry.Accession_date 2000-12-19 _Entry.Last_release_date 2001-05-17 _Entry.Original_release_date 2001-05-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Hongwei Wu . . . 4929 2 Mark Maciejewski . W. . 4929 3 Sharon Benashski . E. . 4929 4 Gregory Mullen . P. . 4929 5 Stephen King . M. . 4929 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4929 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 391 4929 '13C chemical shifts' 403 4929 '15N chemical shifts' 110 4929 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 . . 2001-05-17 2000-12-19 original author . 4929 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4929 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C resonance assignments for the Tctex1 dynein light chain from Chlamydomonas flagella ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 20 _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 89 _Citation.Page_last 90 _Citation.Year 2001 _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 Hongwei Wu . . . 4929 1 2 Mark Maciejewski . W. . 4929 1 3 Sharon Benashski . E. . 4929 1 4 Gregory Mullen . P. . 4929 1 5 Stephen King . M. . 4929 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Chlamydomonas 4929 1 dynein 4929 1 flagella 4929 1 microtubule 4929 1 Tctex1 4929 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Tctex1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Tctex1 _Assembly.Entry_ID 4929 _Assembly.ID 1 _Assembly.Name 'Tctex1 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4929 1 stop_ 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 'Tctex1 subunit 1' 1 $Tctex1 . . . native . . 1 . . 4929 1 2 'Tctex1 subunit 2' 1 $Tctex1 . . . native . . 1 . . 4929 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Tctex1 dimer' system 4929 1 Tctex1 abbreviation 4929 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Component of cytoplasmic and flagellar dynein. Involved in motor-cargo interactions' 4929 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tctex1 _Entity.Sf_category entity _Entity.Sf_framecode Tctex1 _Entity.Entry_ID 4929 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chlamydomonas Tctex1' _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 ; MEGVDPAVEEAAFVADDVSN IIKESIDAVLQNQQYSEAKV SQWTSSCLEHCIKRLTALNK PFKYVVTCIIMQKNGAGLHT AASCWWDSTTDGSRTVRWEN KSMYCICTVFGLAI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12668 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1XDX . "Solution Structure Of The Tctex1 Light Chain From Chlamydomonas Inner Dynein Arm I1" . . . . . 100.00 114 100.00 100.00 2.56e-78 . . . . 4929 1 2 no GB AAC18035 . "dynein light chain Tctex1 [Chlamydomonas reinhardtii]" . . . . . 100.00 114 100.00 100.00 2.56e-78 . . . . 4929 1 3 no GB EDO97227 . "flagellar inner arm dynein light chain Tctex1 [Chlamydomonas reinhardtii]" . . . . . 100.00 114 100.00 100.00 2.56e-78 . . . . 4929 1 4 no REF XP_001702138 . "flagellar inner arm dynein light chain Tctex1 [Chlamydomonas reinhardtii]" . . . . . 100.00 114 100.00 100.00 2.56e-78 . . . . 4929 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Chlamydomonas Tctex1' common 4929 1 Tctex1 abbreviation 4929 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 . MET . 4929 1 2 . GLU . 4929 1 3 . GLY . 4929 1 4 . VAL . 4929 1 5 . ASP . 4929 1 6 . PRO . 4929 1 7 . ALA . 4929 1 8 . VAL . 4929 1 9 . GLU . 4929 1 10 . GLU . 4929 1 11 . ALA . 4929 1 12 . ALA . 4929 1 13 . PHE . 4929 1 14 . VAL . 4929 1 15 . ALA . 4929 1 16 . ASP . 4929 1 17 . ASP . 4929 1 18 . VAL . 4929 1 19 . SER . 4929 1 20 . ASN . 4929 1 21 . ILE . 4929 1 22 . ILE . 4929 1 23 . LYS . 4929 1 24 . GLU . 4929 1 25 . SER . 4929 1 26 . ILE . 4929 1 27 . ASP . 4929 1 28 . ALA . 4929 1 29 . VAL . 4929 1 30 . LEU . 4929 1 31 . GLN . 4929 1 32 . ASN . 4929 1 33 . GLN . 4929 1 34 . GLN . 4929 1 35 . TYR . 4929 1 36 . SER . 4929 1 37 . GLU . 4929 1 38 . ALA . 4929 1 39 . LYS . 4929 1 40 . VAL . 4929 1 41 . SER . 4929 1 42 . GLN . 4929 1 43 . TRP . 4929 1 44 . THR . 4929 1 45 . SER . 4929 1 46 . SER . 4929 1 47 . CYS . 4929 1 48 . LEU . 4929 1 49 . GLU . 4929 1 50 . HIS . 4929 1 51 . CYS . 4929 1 52 . ILE . 4929 1 53 . LYS . 4929 1 54 . ARG . 4929 1 55 . LEU . 4929 1 56 . THR . 4929 1 57 . ALA . 4929 1 58 . LEU . 4929 1 59 . ASN . 4929 1 60 . LYS . 4929 1 61 . PRO . 4929 1 62 . PHE . 4929 1 63 . LYS . 4929 1 64 . TYR . 4929 1 65 . VAL . 4929 1 66 . VAL . 4929 1 67 . THR . 4929 1 68 . CYS . 4929 1 69 . ILE . 4929 1 70 . ILE . 4929 1 71 . MET . 4929 1 72 . GLN . 4929 1 73 . LYS . 4929 1 74 . ASN . 4929 1 75 . GLY . 4929 1 76 . ALA . 4929 1 77 . GLY . 4929 1 78 . LEU . 4929 1 79 . HIS . 4929 1 80 . THR . 4929 1 81 . ALA . 4929 1 82 . ALA . 4929 1 83 . SER . 4929 1 84 . CYS . 4929 1 85 . TRP . 4929 1 86 . TRP . 4929 1 87 . ASP . 4929 1 88 . SER . 4929 1 89 . THR . 4929 1 90 . THR . 4929 1 91 . ASP . 4929 1 92 . GLY . 4929 1 93 . SER . 4929 1 94 . ARG . 4929 1 95 . THR . 4929 1 96 . VAL . 4929 1 97 . ARG . 4929 1 98 . TRP . 4929 1 99 . GLU . 4929 1 100 . ASN . 4929 1 101 . LYS . 4929 1 102 . SER . 4929 1 103 . MET . 4929 1 104 . TYR . 4929 1 105 . CYS . 4929 1 106 . ILE . 4929 1 107 . CYS . 4929 1 108 . THR . 4929 1 109 . VAL . 4929 1 110 . PHE . 4929 1 111 . GLY . 4929 1 112 . LEU . 4929 1 113 . ALA . 4929 1 114 . ILE . 4929 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 . MET 1 1 4929 1 . GLU 2 2 4929 1 . GLY 3 3 4929 1 . VAL 4 4 4929 1 . ASP 5 5 4929 1 . PRO 6 6 4929 1 . ALA 7 7 4929 1 . VAL 8 8 4929 1 . GLU 9 9 4929 1 . GLU 10 10 4929 1 . ALA 11 11 4929 1 . ALA 12 12 4929 1 . PHE 13 13 4929 1 . VAL 14 14 4929 1 . ALA 15 15 4929 1 . ASP 16 16 4929 1 . ASP 17 17 4929 1 . VAL 18 18 4929 1 . SER 19 19 4929 1 . ASN 20 20 4929 1 . ILE 21 21 4929 1 . ILE 22 22 4929 1 . LYS 23 23 4929 1 . GLU 24 24 4929 1 . SER 25 25 4929 1 . ILE 26 26 4929 1 . ASP 27 27 4929 1 . ALA 28 28 4929 1 . VAL 29 29 4929 1 . LEU 30 30 4929 1 . GLN 31 31 4929 1 . ASN 32 32 4929 1 . GLN 33 33 4929 1 . GLN 34 34 4929 1 . TYR 35 35 4929 1 . SER 36 36 4929 1 . GLU 37 37 4929 1 . ALA 38 38 4929 1 . LYS 39 39 4929 1 . VAL 40 40 4929 1 . SER 41 41 4929 1 . GLN 42 42 4929 1 . TRP 43 43 4929 1 . THR 44 44 4929 1 . SER 45 45 4929 1 . SER 46 46 4929 1 . CYS 47 47 4929 1 . LEU 48 48 4929 1 . GLU 49 49 4929 1 . HIS 50 50 4929 1 . CYS 51 51 4929 1 . ILE 52 52 4929 1 . LYS 53 53 4929 1 . ARG 54 54 4929 1 . LEU 55 55 4929 1 . THR 56 56 4929 1 . ALA 57 57 4929 1 . LEU 58 58 4929 1 . ASN 59 59 4929 1 . LYS 60 60 4929 1 . PRO 61 61 4929 1 . PHE 62 62 4929 1 . LYS 63 63 4929 1 . TYR 64 64 4929 1 . VAL 65 65 4929 1 . VAL 66 66 4929 1 . THR 67 67 4929 1 . CYS 68 68 4929 1 . ILE 69 69 4929 1 . ILE 70 70 4929 1 . MET 71 71 4929 1 . GLN 72 72 4929 1 . LYS 73 73 4929 1 . ASN 74 74 4929 1 . GLY 75 75 4929 1 . ALA 76 76 4929 1 . GLY 77 77 4929 1 . LEU 78 78 4929 1 . HIS 79 79 4929 1 . THR 80 80 4929 1 . ALA 81 81 4929 1 . ALA 82 82 4929 1 . SER 83 83 4929 1 . CYS 84 84 4929 1 . TRP 85 85 4929 1 . TRP 86 86 4929 1 . ASP 87 87 4929 1 . SER 88 88 4929 1 . THR 89 89 4929 1 . THR 90 90 4929 1 . ASP 91 91 4929 1 . GLY 92 92 4929 1 . SER 93 93 4929 1 . ARG 94 94 4929 1 . THR 95 95 4929 1 . VAL 96 96 4929 1 . ARG 97 97 4929 1 . TRP 98 98 4929 1 . GLU 99 99 4929 1 . ASN 100 100 4929 1 . LYS 101 101 4929 1 . SER 102 102 4929 1 . MET 103 103 4929 1 . TYR 104 104 4929 1 . CYS 105 105 4929 1 . ILE 106 106 4929 1 . CYS 107 107 4929 1 . THR 108 108 4929 1 . VAL 109 109 4929 1 . PHE 110 110 4929 1 . GLY 111 111 4929 1 . LEU 112 112 4929 1 . ALA 113 113 4929 1 . ILE 114 114 4929 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 4929 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Tctex1 . 3055 . . 'Chlamydomonas reinhardtii' 'Chlamydomonas reinhardtii' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii 1132 . . . . . . . . . . . . . . . . . . . . 4929 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 4929 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Tctex1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Tctex1_dimer _Sample.Sf_category sample _Sample.Sf_framecode Tctex1_dimer _Sample.Entry_ID 4929 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'the dimer concentration is 0.7 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Chlamydomonas Tctex1' '[U-97% 13C; U-99% 15N]' . . 1 $Tctex1 . . 1.4 . . mM . . . . 4929 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4929 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.7 0.2 n/a 4929 1 temperature 298 1 K 4929 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4929 _Software.ID 1 _Software.Name FELIX _Software.Version 97.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing spectra' 4929 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4929 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 4929 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4929 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4929 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4929 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Varian Inova . 500 . . . 4929 1 2 NMR_spectrometer2 Varian Inova . 600 . . . 4929 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 4929 _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 'HNCA (6388 x 4400 x 1418 Hz, 512 x 55 x 30, 48 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 2 'HN(CO)CA (6388 x 4400 x 141 8 Hz, 512 x 55 x 30, 48 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 3 'HNCACB (6388 x 8000 x 1418 Hz, 512 x 50 x 32, 64 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 4 'CBCA(CO)NH (6388 x 8000 x 1418 Hz, 512 x 46 x 31, 64 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 5 'HNCO (6388 x 2200 x 1418 Hz, 512 x 48 x 29, 32 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 6 '(HACA)CO(CA)NH (6388 x 2200 x 1418 Hz, 512 x 48 x 28, 80 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 7 'HNHA (7654 x 7654 x 1700 Hz, 512 x 60 x 28, 48 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 8 '3D 1H-15N NOESY-HSQC (7654 x 7654 x 1700 Hz, 512 x 96 x 32, 32 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 9 'C(CO)NH-TOCSY (6388 x 9000 x 1418 Hz, 512 x 96 x 28, 48 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 10 'HC(CO)NH-TOCSY (6388 x 6388 x 1418 Hz, 512 x 72 x 28, 64 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 11 'HACA(CO)CANH (6388 x 2200 x 1418 Hz, 512 x 48 x 28, 80 scans).' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 12 '2D 1H-15N HSQC (6388 x 1418 Hz, 512 x 80, 16 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 13 '2D 1H-13C HSQC (7654 x 12000 Hz, 512 x 400, 64 scans)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4929 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'HNCA (6388 x 4400 x 1418 Hz, 512 x 55 x 30, 48 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'HN(CO)CA (6388 x 4400 x 141 8 Hz, 512 x 55 x 30, 48 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'HNCACB (6388 x 8000 x 1418 Hz, 512 x 50 x 32, 64 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'CBCA(CO)NH (6388 x 8000 x 1418 Hz, 512 x 46 x 31, 64 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'HNCO (6388 x 2200 x 1418 Hz, 512 x 48 x 29, 32 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '(HACA)CO(CA)NH (6388 x 2200 x 1418 Hz, 512 x 48 x 28, 80 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'HNHA (7654 x 7654 x 1700 Hz, 512 x 60 x 28, 48 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-15N NOESY-HSQC (7654 x 7654 x 1700 Hz, 512 x 96 x 32, 32 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'C(CO)NH-TOCSY (6388 x 9000 x 1418 Hz, 512 x 96 x 28, 48 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'HC(CO)NH-TOCSY (6388 x 6388 x 1418 Hz, 512 x 72 x 28, 64 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'HACA(CO)CANH (6388 x 2200 x 1418 Hz, 512 x 48 x 28, 80 scans).' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D 1H-15N HSQC (6388 x 1418 Hz, 512 x 80, 16 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4929 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D 1H-13C HSQC (7654 x 12000 Hz, 512 x 400, 64 scans)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4929 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4929 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4929 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4929 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_Tctex1_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Tctex1_set_1 _Assigned_chem_shift_list.Entry_ID 4929 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Tctex1_dimer . 4929 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.47 0.01 . 1 . . . . . . . . 4929 1 2 . 1 1 1 1 MET C C 13 175.52 0.01 . 1 . . . . . . . . 4929 1 3 . 1 1 1 1 MET CA C 13 55.37 0.01 . 1 . . . . . . . . 4929 1 4 . 1 1 1 1 MET CB C 13 33.04 0.01 . 1 . . . . . . . . 4929 1 5 . 1 1 1 1 MET CG C 13 31.97 0.01 . 1 . . . . . . . . 4929 1 6 . 1 1 2 2 GLU H H 1 8.72 0.01 . 1 . . . . . . . . 4929 1 7 . 1 1 2 2 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4929 1 8 . 1 1 2 2 GLU C C 13 177.02 0.01 . 1 . . . . . . . . 4929 1 9 . 1 1 2 2 GLU CA C 13 57.09 0.01 . 1 . . . . . . . . 4929 1 10 . 1 1 2 2 GLU CB C 13 30.32 0.01 . 1 . . . . . . . . 4929 1 11 . 1 1 2 2 GLU CG C 13 36.17 0.01 . 1 . . . . . . . . 4929 1 12 . 1 1 2 2 GLU N N 15 123.36 0.01 . 1 . . . . . . . . 4929 1 13 . 1 1 3 3 GLY H H 1 8.56 0.01 . 1 . . . . . . . . 4929 1 14 . 1 1 3 3 GLY HA2 H 1 3.97 0.01 . 2 . . . . . . . . 4929 1 15 . 1 1 3 3 GLY C C 13 173.82 0.01 . 1 . . . . . . . . 4929 1 16 . 1 1 3 3 GLY CA C 13 45.42 0.01 . 1 . . . . . . . . 4929 1 17 . 1 1 3 3 GLY N N 15 110.75 0.01 . 1 . . . . . . . . 4929 1 18 . 1 1 4 4 VAL H H 1 7.83 0.01 . 1 . . . . . . . . 4929 1 19 . 1 1 4 4 VAL HA H 1 4.15 0.01 . 1 . . . . . . . . 4929 1 20 . 1 1 4 4 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 4929 1 21 . 1 1 4 4 VAL HG11 H 1 0.88 0.01 . 2 . . . . . . . . 4929 1 22 . 1 1 4 4 VAL HG12 H 1 0.88 0.01 . 2 . . . . . . . . 4929 1 23 . 1 1 4 4 VAL HG13 H 1 0.88 0.01 . 2 . . . . . . . . 4929 1 24 . 1 1 4 4 VAL C C 13 175.59 0.01 . 1 . . . . . . . . 4929 1 25 . 1 1 4 4 VAL CA C 13 61.84 0.01 . 1 . . . . . . . . 4929 1 26 . 1 1 4 4 VAL CB C 13 33.17 0.01 . 1 . . . . . . . . 4929 1 27 . 1 1 4 4 VAL CG1 C 13 20.79 0.01 . 2 . . . . . . . . 4929 1 28 . 1 1 4 4 VAL N N 15 119.02 0.01 . 1 . . . . . . . . 4929 1 29 . 1 1 5 5 ASP H H 1 8.45 0.01 . 1 . . . . . . . . 4929 1 30 . 1 1 5 5 ASP HA H 1 4.88 0.01 . 1 . . . . . . . . 4929 1 31 . 1 1 5 5 ASP HB2 H 1 2.54 0.01 . 2 . . . . . . . . 4929 1 32 . 1 1 5 5 ASP HB3 H 1 2.80 0.01 . 2 . . . . . . . . 4929 1 33 . 1 1 5 5 ASP C C 13 174.67 0.01 . 1 . . . . . . . . 4929 1 34 . 1 1 5 5 ASP CA C 13 52.30 0.01 . 1 . . . . . . . . 4929 1 35 . 1 1 5 5 ASP CB C 13 41.31 0.01 . 1 . . . . . . . . 4929 1 36 . 1 1 5 5 ASP N N 15 126.04 0.01 . 1 . . . . . . . . 4929 1 37 . 1 1 6 6 PRO HA H 1 4.37 0.01 . 1 . . . . . . . . 4929 1 38 . 1 1 6 6 PRO HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4929 1 39 . 1 1 6 6 PRO HB3 H 1 2.32 0.01 . 2 . . . . . . . . 4929 1 40 . 1 1 6 6 PRO HG2 H 1 2.05 0.01 . 2 . . . . . . . . 4929 1 41 . 1 1 6 6 PRO HD2 H 1 3.83 0.01 . 2 . . . . . . . . 4929 1 42 . 1 1 6 6 PRO HD3 H 1 3.93 0.01 . 2 . . . . . . . . 4929 1 43 . 1 1 6 6 PRO C C 13 176.89 0.01 . 1 . . . . . . . . 4929 1 44 . 1 1 6 6 PRO CA C 13 63.52 0.01 . 1 . . . . . . . . 4929 1 45 . 1 1 6 6 PRO CB C 13 32.20 0.01 . 1 . . . . . . . . 4929 1 46 . 1 1 6 6 PRO CG C 13 27.20 0.01 . 1 . . . . . . . . 4929 1 47 . 1 1 6 6 PRO CD C 13 50.87 0.01 . 1 . . . . . . . . 4929 1 48 . 1 1 7 7 ALA H H 1 8.40 0.01 . 1 . . . . . . . . 4929 1 49 . 1 1 7 7 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 4929 1 50 . 1 1 7 7 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 4929 1 51 . 1 1 7 7 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 4929 1 52 . 1 1 7 7 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4929 1 53 . 1 1 7 7 ALA C C 13 178.39 0.01 . 1 . . . . . . . . 4929 1 54 . 1 1 7 7 ALA CA C 13 53.03 0.01 . 1 . . . . . . . . 4929 1 55 . 1 1 7 7 ALA CB C 13 19.09 0.01 . 1 . . . . . . . . 4929 1 56 . 1 1 7 7 ALA N N 15 122.97 0.01 . 1 . . . . . . . . 4929 1 57 . 1 1 8 8 VAL H H 1 7.87 0.01 . 1 . . . . . . . . 4929 1 58 . 1 1 8 8 VAL HA H 1 4.03 0.01 . 1 . . . . . . . . 4929 1 59 . 1 1 8 8 VAL HB H 1 2.25 0.01 . 1 . . . . . . . . 4929 1 60 . 1 1 8 8 VAL HG11 H 1 0.96 0.01 . 2 . . . . . . . . 4929 1 61 . 1 1 8 8 VAL HG12 H 1 0.96 0.01 . 2 . . . . . . . . 4929 1 62 . 1 1 8 8 VAL HG13 H 1 0.96 0.01 . 2 . . . . . . . . 4929 1 63 . 1 1 8 8 VAL C C 13 176.66 0.01 . 1 . . . . . . . . 4929 1 64 . 1 1 8 8 VAL CA C 13 63.38 0.01 . 1 . . . . . . . . 4929 1 65 . 1 1 8 8 VAL CB C 13 32.48 0.01 . 1 . . . . . . . . 4929 1 66 . 1 1 8 8 VAL CG1 C 13 20.54 0.01 . 2 . . . . . . . . 4929 1 67 . 1 1 8 8 VAL N N 15 117.81 0.01 . 1 . . . . . . . . 4929 1 68 . 1 1 9 9 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 4929 1 69 . 1 1 9 9 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 4929 1 70 . 1 1 9 9 GLU C C 13 176.79 0.01 . 1 . . . . . . . . 4929 1 71 . 1 1 9 9 GLU CA C 13 57.21 0.01 . 1 . . . . . . . . 4929 1 72 . 1 1 9 9 GLU CB C 13 30.46 0.01 . 1 . . . . . . . . 4929 1 73 . 1 1 9 9 GLU CG C 13 36.60 0.01 . 1 . . . . . . . . 4929 1 74 . 1 1 9 9 GLU N N 15 122.00 0.01 . 1 . . . . . . . . 4929 1 75 . 1 1 10 10 GLU H H 1 8.21 0.01 . 1 . . . . . . . . 4929 1 76 . 1 1 10 10 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 4929 1 77 . 1 1 10 10 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4929 1 78 . 1 1 10 10 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4929 1 79 . 1 1 10 10 GLU HG2 H 1 2.30 0.01 . 2 . . . . . . . . 4929 1 80 . 1 1 10 10 GLU C C 13 176.55 0.01 . 1 . . . . . . . . 4929 1 81 . 1 1 10 10 GLU CA C 13 56.95 0.01 . 1 . . . . . . . . 4929 1 82 . 1 1 10 10 GLU CB C 13 30.57 0.01 . 1 . . . . . . . . 4929 1 83 . 1 1 10 10 GLU CG C 13 36.33 0.01 . 1 . . . . . . . . 4929 1 84 . 1 1 10 10 GLU N N 15 120.25 0.01 . 1 . . . . . . . . 4929 1 85 . 1 1 11 11 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 4929 1 86 . 1 1 11 11 ALA HA H 1 4.04 0.01 . 1 . . . . . . . . 4929 1 87 . 1 1 11 11 ALA HB1 H 1 1.36 0.01 . 1 . . . . . . . . 4929 1 88 . 1 1 11 11 ALA HB2 H 1 1.36 0.01 . 1 . . . . . . . . 4929 1 89 . 1 1 11 11 ALA HB3 H 1 1.36 0.01 . 1 . . . . . . . . 4929 1 90 . 1 1 11 11 ALA C C 13 177.32 0.01 . 1 . . . . . . . . 4929 1 91 . 1 1 11 11 ALA CA C 13 52.71 0.01 . 1 . . . . . . . . 4929 1 92 . 1 1 11 11 ALA CB C 13 19.46 0.01 . 1 . . . . . . . . 4929 1 93 . 1 1 11 11 ALA N N 15 124.16 0.01 . 1 . . . . . . . . 4929 1 94 . 1 1 12 12 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 4929 1 95 . 1 1 12 12 ALA HA H 1 3.99 0.01 . 1 . . . . . . . . 4929 1 96 . 1 1 12 12 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 4929 1 97 . 1 1 12 12 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 4929 1 98 . 1 1 12 12 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4929 1 99 . 1 1 12 12 ALA C C 13 177.30 0.01 . 1 . . . . . . . . 4929 1 100 . 1 1 12 12 ALA CA C 13 52.42 0.01 . 1 . . . . . . . . 4929 1 101 . 1 1 12 12 ALA CB C 13 19.25 0.01 . 1 . . . . . . . . 4929 1 102 . 1 1 12 12 ALA N N 15 122.95 0.01 . 1 . . . . . . . . 4929 1 103 . 1 1 13 13 PHE H H 1 8.09 0.01 . 1 . . . . . . . . 4929 1 104 . 1 1 13 13 PHE HA H 1 4.57 0.01 . 1 . . . . . . . . 4929 1 105 . 1 1 13 13 PHE HB2 H 1 3.07 0.01 . 2 . . . . . . . . 4929 1 106 . 1 1 13 13 PHE C C 13 175.24 0.01 . 1 . . . . . . . . 4929 1 107 . 1 1 13 13 PHE CA C 13 57.76 0.01 . 1 . . . . . . . . 4929 1 108 . 1 1 13 13 PHE CB C 13 39.77 0.01 . 1 . . . . . . . . 4929 1 109 . 1 1 13 13 PHE N N 15 119.75 0.01 . 1 . . . . . . . . 4929 1 110 . 1 1 14 14 VAL H H 1 7.94 0.01 . 1 . . . . . . . . 4929 1 111 . 1 1 14 14 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 4929 1 112 . 1 1 14 14 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 4929 1 113 . 1 1 14 14 VAL HG11 H 1 0.88 0.01 . 2 . . . . . . . . 4929 1 114 . 1 1 14 14 VAL HG12 H 1 0.88 0.01 . 2 . . . . . . . . 4929 1 115 . 1 1 14 14 VAL HG13 H 1 0.88 0.01 . 2 . . . . . . . . 4929 1 116 . 1 1 14 14 VAL C C 13 174.36 0.01 . 1 . . . . . . . . 4929 1 117 . 1 1 14 14 VAL CA C 13 62.14 0.01 . 1 . . . . . . . . 4929 1 118 . 1 1 14 14 VAL CB C 13 33.26 0.01 . 1 . . . . . . . . 4929 1 119 . 1 1 14 14 VAL CG1 C 13 20.85 0.01 . 2 . . . . . . . . 4929 1 120 . 1 1 14 14 VAL N N 15 124.10 0.01 . 1 . . . . . . . . 4929 1 121 . 1 1 15 15 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 4929 1 122 . 1 1 15 15 ALA HA H 1 4.03 0.01 . 1 . . . . . . . . 4929 1 123 . 1 1 15 15 ALA C C 13 182.43 0.01 . 1 . . . . . . . . 4929 1 124 . 1 1 15 15 ALA CA C 13 53.86 0.01 . 1 . . . . . . . . 4929 1 125 . 1 1 15 15 ALA CB C 13 20.23 0.01 . 1 . . . . . . . . 4929 1 126 . 1 1 15 15 ALA N N 15 105.49 0.01 . 1 . . . . . . . . 4929 1 127 . 1 1 16 16 ASP HA H 1 5.10 0.01 . 1 . . . . . . . . 4929 1 128 . 1 1 16 16 ASP C C 13 176.46 0.01 . 1 . . . . . . . . 4929 1 129 . 1 1 16 16 ASP CA C 13 56.41 0.01 . 1 . . . . . . . . 4929 1 130 . 1 1 17 17 ASP H H 1 8.43 0.01 . 1 . . . . . . . . 4929 1 131 . 1 1 17 17 ASP HA H 1 4.16 0.01 . 1 . . . . . . . . 4929 1 132 . 1 1 17 17 ASP C C 13 178.79 0.01 . 1 . . . . . . . . 4929 1 133 . 1 1 17 17 ASP CA C 13 56.81 0.01 . 1 . . . . . . . . 4929 1 134 . 1 1 17 17 ASP CB C 13 40.09 0.01 . 1 . . . . . . . . 4929 1 135 . 1 1 17 17 ASP N N 15 122.00 0.01 . 1 . . . . . . . . 4929 1 136 . 1 1 18 18 VAL H H 1 7.92 0.01 . 1 . . . . . . . . 4929 1 137 . 1 1 18 18 VAL HA H 1 3.41 0.01 . 1 . . . . . . . . 4929 1 138 . 1 1 18 18 VAL HB H 1 1.83 0.01 . 1 . . . . . . . . 4929 1 139 . 1 1 18 18 VAL HG11 H 1 0.70 0.01 . 2 . . . . . . . . 4929 1 140 . 1 1 18 18 VAL HG12 H 1 0.70 0.01 . 2 . . . . . . . . 4929 1 141 . 1 1 18 18 VAL HG13 H 1 0.70 0.01 . 2 . . . . . . . . 4929 1 142 . 1 1 18 18 VAL C C 13 177.23 0.01 . 1 . . . . . . . . 4929 1 143 . 1 1 18 18 VAL CA C 13 66.64 0.01 . 1 . . . . . . . . 4929 1 144 . 1 1 18 18 VAL CB C 13 31.52 0.01 . 1 . . . . . . . . 4929 1 145 . 1 1 18 18 VAL CG1 C 13 21.46 0.01 . 2 . . . . . . . . 4929 1 146 . 1 1 18 18 VAL N N 15 120.00 0.01 . 1 . . . . . . . . 4929 1 147 . 1 1 19 19 SER H H 1 8.39 0.01 . 1 . . . . . . . . 4929 1 148 . 1 1 19 19 SER HA H 1 4.41 0.01 . 1 . . . . . . . . 4929 1 149 . 1 1 19 19 SER C C 13 176.21 0.01 . 1 . . . . . . . . 4929 1 150 . 1 1 19 19 SER CA C 13 63.15 0.01 . 1 . . . . . . . . 4929 1 151 . 1 1 19 19 SER N N 15 116.29 0.01 . 1 . . . . . . . . 4929 1 152 . 1 1 20 20 ASN H H 1 8.01 0.01 . 1 . . . . . . . . 4929 1 153 . 1 1 20 20 ASN HA H 1 4.54 0.01 . 1 . . . . . . . . 4929 1 154 . 1 1 20 20 ASN HB2 H 1 2.83 0.01 . 2 . . . . . . . . 4929 1 155 . 1 1 20 20 ASN C C 13 177.34 0.01 . 1 . . . . . . . . 4929 1 156 . 1 1 20 20 ASN CA C 13 56.54 0.01 . 1 . . . . . . . . 4929 1 157 . 1 1 20 20 ASN CB C 13 38.07 0.01 . 1 . . . . . . . . 4929 1 158 . 1 1 20 20 ASN N N 15 119.38 0.01 . 1 . . . . . . . . 4929 1 159 . 1 1 21 21 ILE H H 1 7.72 0.01 . 1 . . . . . . . . 4929 1 160 . 1 1 21 21 ILE HA H 1 4.06 0.01 . 1 . . . . . . . . 4929 1 161 . 1 1 21 21 ILE C C 13 178.74 0.01 . 1 . . . . . . . . 4929 1 162 . 1 1 21 21 ILE CA C 13 65.97 0.01 . 1 . . . . . . . . 4929 1 163 . 1 1 21 21 ILE CB C 13 38.27 0.01 . 1 . . . . . . . . 4929 1 164 . 1 1 21 21 ILE N N 15 121.04 0.01 . 1 . . . . . . . . 4929 1 165 . 1 1 22 22 ILE H H 1 8.17 0.01 . 1 . . . . . . . . 4929 1 166 . 1 1 22 22 ILE HA H 1 3.82 0.01 . 1 . . . . . . . . 4929 1 167 . 1 1 22 22 ILE C C 13 177.43 0.01 . 1 . . . . . . . . 4929 1 168 . 1 1 22 22 ILE CA C 13 66.11 0.01 . 1 . . . . . . . . 4929 1 169 . 1 1 22 22 ILE CB C 13 38.77 0.01 . 1 . . . . . . . . 4929 1 170 . 1 1 22 22 ILE CG1 C 13 20.10 0.01 . 2 . . . . . . . . 4929 1 171 . 1 1 22 22 ILE CD1 C 13 17.15 0.01 . 1 . . . . . . . . 4929 1 172 . 1 1 22 22 ILE N N 15 121.56 0.01 . 1 . . . . . . . . 4929 1 173 . 1 1 23 23 LYS H H 1 8.24 0.01 . 1 . . . . . . . . 4929 1 174 . 1 1 23 23 LYS HA H 1 3.72 0.01 . 1 . . . . . . . . 4929 1 175 . 1 1 23 23 LYS C C 13 178.06 0.01 . 1 . . . . . . . . 4929 1 176 . 1 1 23 23 LYS CA C 13 60.78 0.01 . 1 . . . . . . . . 4929 1 177 . 1 1 23 23 LYS CB C 13 32.84 0.01 . 1 . . . . . . . . 4929 1 178 . 1 1 23 23 LYS CG C 13 25.51 0.01 . 1 . . . . . . . . 4929 1 179 . 1 1 23 23 LYS CD C 13 29.11 0.01 . 1 . . . . . . . . 4929 1 180 . 1 1 23 23 LYS CE C 13 42.45 0.01 . 1 . . . . . . . . 4929 1 181 . 1 1 23 23 LYS N N 15 118.56 0.01 . 1 . . . . . . . . 4929 1 182 . 1 1 24 24 GLU H H 1 8.42 0.01 . 1 . . . . . . . . 4929 1 183 . 1 1 24 24 GLU HA H 1 3.85 0.01 . 1 . . . . . . . . 4929 1 184 . 1 1 24 24 GLU C C 13 179.76 0.01 . 1 . . . . . . . . 4929 1 185 . 1 1 24 24 GLU CA C 13 59.27 0.01 . 1 . . . . . . . . 4929 1 186 . 1 1 24 24 GLU CB C 13 29.84 0.01 . 1 . . . . . . . . 4929 1 187 . 1 1 24 24 GLU CG C 13 36.86 0.01 . 1 . . . . . . . . 4929 1 188 . 1 1 24 24 GLU N N 15 116.31 0.01 . 1 . . . . . . . . 4929 1 189 . 1 1 25 25 SER H H 1 7.81 0.01 . 1 . . . . . . . . 4929 1 190 . 1 1 25 25 SER HA H 1 4.07 0.01 . 1 . . . . . . . . 4929 1 191 . 1 1 25 25 SER HB2 H 1 3.84 0.01 . 2 . . . . . . . . 4929 1 192 . 1 1 25 25 SER C C 13 173.88 0.01 . 1 . . . . . . . . 4929 1 193 . 1 1 25 25 SER CA C 13 62.97 0.01 . 1 . . . . . . . . 4929 1 194 . 1 1 25 25 SER N N 15 117.28 0.01 . 1 . . . . . . . . 4929 1 195 . 1 1 26 26 ILE H H 1 7.85 0.01 . 1 . . . . . . . . 4929 1 196 . 1 1 26 26 ILE HA H 1 4.03 0.01 . 1 . . . . . . . . 4929 1 197 . 1 1 26 26 ILE C C 13 178.67 0.01 . 1 . . . . . . . . 4929 1 198 . 1 1 26 26 ILE CA C 13 65.11 0.01 . 1 . . . . . . . . 4929 1 199 . 1 1 26 26 ILE CB C 13 38.78 0.01 . 1 . . . . . . . . 4929 1 200 . 1 1 26 26 ILE CG1 C 13 19.32 0.01 . 2 . . . . . . . . 4929 1 201 . 1 1 26 26 ILE N N 15 119.32 0.01 . 1 . . . . . . . . 4929 1 202 . 1 1 27 27 ASP H H 1 8.21 0.01 . 1 . . . . . . . . 4929 1 203 . 1 1 27 27 ASP HA H 1 4.05 0.01 . 1 . . . . . . . . 4929 1 204 . 1 1 27 27 ASP HB2 H 1 2.49 0.01 . 2 . . . . . . . . 4929 1 205 . 1 1 27 27 ASP HB3 H 1 2.71 0.01 . 2 . . . . . . . . 4929 1 206 . 1 1 27 27 ASP C C 13 178.26 0.01 . 1 . . . . . . . . 4929 1 207 . 1 1 27 27 ASP CA C 13 57.65 0.01 . 1 . . . . . . . . 4929 1 208 . 1 1 27 27 ASP CB C 13 41.12 0.01 . 1 . . . . . . . . 4929 1 209 . 1 1 27 27 ASP N N 15 119.38 0.01 . 1 . . . . . . . . 4929 1 210 . 1 1 28 28 ALA H H 1 7.46 0.01 . 1 . . . . . . . . 4929 1 211 . 1 1 28 28 ALA HA H 1 3.95 0.01 . 1 . . . . . . . . 4929 1 212 . 1 1 28 28 ALA HB1 H 1 1.16 0.01 . 1 . . . . . . . . 4929 1 213 . 1 1 28 28 ALA HB2 H 1 1.16 0.01 . 1 . . . . . . . . 4929 1 214 . 1 1 28 28 ALA HB3 H 1 1.16 0.01 . 1 . . . . . . . . 4929 1 215 . 1 1 28 28 ALA C C 13 178.46 0.01 . 1 . . . . . . . . 4929 1 216 . 1 1 28 28 ALA CA C 13 54.35 0.01 . 1 . . . . . . . . 4929 1 217 . 1 1 28 28 ALA CB C 13 17.88 0.01 . 1 . . . . . . . . 4929 1 218 . 1 1 28 28 ALA N N 15 117.25 0.01 . 1 . . . . . . . . 4929 1 219 . 1 1 29 29 VAL H H 1 6.98 0.01 . 1 . . . . . . . . 4929 1 220 . 1 1 29 29 VAL HA H 1 3.75 0.01 . 1 . . . . . . . . 4929 1 221 . 1 1 29 29 VAL HB H 1 1.63 0.01 . 1 . . . . . . . . 4929 1 222 . 1 1 29 29 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 4929 1 223 . 1 1 29 29 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 4929 1 224 . 1 1 29 29 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 4929 1 225 . 1 1 29 29 VAL HG21 H 1 1.15 0.01 . 2 . . . . . . . . 4929 1 226 . 1 1 29 29 VAL HG22 H 1 1.15 0.01 . 2 . . . . . . . . 4929 1 227 . 1 1 29 29 VAL HG23 H 1 1.15 0.01 . 2 . . . . . . . . 4929 1 228 . 1 1 29 29 VAL C C 13 176.55 0.01 . 1 . . . . . . . . 4929 1 229 . 1 1 29 29 VAL CA C 13 63.79 0.01 . 1 . . . . . . . . 4929 1 230 . 1 1 29 29 VAL CB C 13 33.90 0.01 . 1 . . . . . . . . 4929 1 231 . 1 1 29 29 VAL CG1 C 13 21.66 0.01 . 2 . . . . . . . . 4929 1 232 . 1 1 29 29 VAL N N 15 115.16 0.01 . 1 . . . . . . . . 4929 1 233 . 1 1 30 30 LEU H H 1 8.03 0.01 . 1 . . . . . . . . 4929 1 234 . 1 1 30 30 LEU HA H 1 3.28 0.01 . 1 . . . . . . . . 4929 1 235 . 1 1 30 30 LEU C C 13 177.37 0.01 . 1 . . . . . . . . 4929 1 236 . 1 1 30 30 LEU CA C 13 55.17 0.01 . 1 . . . . . . . . 4929 1 237 . 1 1 30 30 LEU CB C 13 42.75 0.01 . 1 . . . . . . . . 4929 1 238 . 1 1 30 30 LEU CG C 13 25.49 0.01 . 1 . . . . . . . . 4929 1 239 . 1 1 30 30 LEU CD1 C 13 21.92 0.01 . 2 . . . . . . . . 4929 1 240 . 1 1 30 30 LEU N N 15 115.17 0.01 . 1 . . . . . . . . 4929 1 241 . 1 1 31 31 GLN H H 1 7.56 0.01 . 1 . . . . . . . . 4929 1 242 . 1 1 31 31 GLN HA H 1 4.13 0.01 . 1 . . . . . . . . 4929 1 243 . 1 1 31 31 GLN C C 13 177.10 0.01 . 1 . . . . . . . . 4929 1 244 . 1 1 31 31 GLN CA C 13 58.60 0.01 . 1 . . . . . . . . 4929 1 245 . 1 1 31 31 GLN CB C 13 28.55 0.01 . 1 . . . . . . . . 4929 1 246 . 1 1 31 31 GLN CG C 13 33.80 0.01 . 1 . . . . . . . . 4929 1 247 . 1 1 31 31 GLN N N 15 117.22 0.01 . 1 . . . . . . . . 4929 1 248 . 1 1 32 32 ASN H H 1 9.20 0.01 . 1 . . . . . . . . 4929 1 249 . 1 1 32 32 ASN HA H 1 4.51 0.01 . 1 . . . . . . . . 4929 1 250 . 1 1 32 32 ASN HB2 H 1 2.96 0.01 . 2 . . . . . . . . 4929 1 251 . 1 1 32 32 ASN C C 13 174.70 0.01 . 1 . . . . . . . . 4929 1 252 . 1 1 32 32 ASN CA C 13 54.49 0.01 . 1 . . . . . . . . 4929 1 253 . 1 1 32 32 ASN CB C 13 38.20 0.01 . 1 . . . . . . . . 4929 1 254 . 1 1 32 32 ASN N N 15 117.62 0.01 . 1 . . . . . . . . 4929 1 255 . 1 1 33 33 GLN H H 1 7.88 0.01 . 1 . . . . . . . . 4929 1 256 . 1 1 33 33 GLN HA H 1 4.40 0.01 . 1 . . . . . . . . 4929 1 257 . 1 1 33 33 GLN HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4929 1 258 . 1 1 33 33 GLN HG2 H 1 2.33 0.01 . 2 . . . . . . . . 4929 1 259 . 1 1 33 33 GLN C C 13 175.55 0.01 . 1 . . . . . . . . 4929 1 260 . 1 1 33 33 GLN CA C 13 54.95 0.01 . 1 . . . . . . . . 4929 1 261 . 1 1 33 33 GLN CB C 13 29.08 0.01 . 1 . . . . . . . . 4929 1 262 . 1 1 33 33 GLN CG C 13 32.81 0.01 . 1 . . . . . . . . 4929 1 263 . 1 1 33 33 GLN N N 15 116.99 0.01 . 1 . . . . . . . . 4929 1 264 . 1 1 34 34 GLN H H 1 8.40 0.01 . 1 . . . . . . . . 4929 1 265 . 1 1 34 34 GLN HA H 1 4.52 0.01 . 1 . . . . . . . . 4929 1 266 . 1 1 34 34 GLN HG2 H 1 2.46 0.01 . 2 . . . . . . . . 4929 1 267 . 1 1 34 34 GLN C C 13 175.59 0.01 . 1 . . . . . . . . 4929 1 268 . 1 1 34 34 GLN CA C 13 53.71 0.01 . 1 . . . . . . . . 4929 1 269 . 1 1 34 34 GLN CB C 13 30.32 0.01 . 1 . . . . . . . . 4929 1 270 . 1 1 34 34 GLN CG C 13 33.70 0.01 . 1 . . . . . . . . 4929 1 271 . 1 1 34 34 GLN N N 15 120.17 0.01 . 1 . . . . . . . . 4929 1 272 . 1 1 35 35 TYR H H 1 8.79 0.01 . 1 . . . . . . . . 4929 1 273 . 1 1 35 35 TYR HA H 1 4.05 0.01 . 1 . . . . . . . . 4929 1 274 . 1 1 35 35 TYR HB2 H 1 2.90 0.01 . 2 . . . . . . . . 4929 1 275 . 1 1 35 35 TYR C C 13 174.83 0.01 . 1 . . . . . . . . 4929 1 276 . 1 1 35 35 TYR CA C 13 62.56 0.01 . 1 . . . . . . . . 4929 1 277 . 1 1 35 35 TYR CB C 13 38.72 0.01 . 1 . . . . . . . . 4929 1 278 . 1 1 35 35 TYR N N 15 123.75 0.01 . 1 . . . . . . . . 4929 1 279 . 1 1 36 36 SER H H 1 5.57 0.01 . 1 . . . . . . . . 4929 1 280 . 1 1 36 36 SER HA H 1 4.04 0.01 . 1 . . . . . . . . 4929 1 281 . 1 1 36 36 SER C C 13 174.49 0.01 . 1 . . . . . . . . 4929 1 282 . 1 1 36 36 SER CA C 13 56.05 0.01 . 1 . . . . . . . . 4929 1 283 . 1 1 36 36 SER CB C 13 64.50 0.01 . 1 . . . . . . . . 4929 1 284 . 1 1 36 36 SER N N 15 120.06 0.01 . 1 . . . . . . . . 4929 1 285 . 1 1 37 37 GLU H H 1 9.29 0.01 . 1 . . . . . . . . 4929 1 286 . 1 1 37 37 GLU HA H 1 3.90 0.01 . 1 . . . . . . . . 4929 1 287 . 1 1 37 37 GLU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4929 1 288 . 1 1 37 37 GLU HG2 H 1 2.57 0.01 . 2 . . . . . . . . 4929 1 289 . 1 1 37 37 GLU C C 13 177.03 0.01 . 1 . . . . . . . . 4929 1 290 . 1 1 37 37 GLU CA C 13 58.88 0.01 . 1 . . . . . . . . 4929 1 291 . 1 1 37 37 GLU CB C 13 29.41 0.01 . 1 . . . . . . . . 4929 1 292 . 1 1 37 37 GLU CG C 13 35.69 0.01 . 1 . . . . . . . . 4929 1 293 . 1 1 37 37 GLU N N 15 130.69 0.01 . 1 . . . . . . . . 4929 1 294 . 1 1 38 38 ALA H H 1 7.85 0.01 . 1 . . . . . . . . 4929 1 295 . 1 1 38 38 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 4929 1 296 . 1 1 38 38 ALA HB1 H 1 1.25 0.01 . 1 . . . . . . . . 4929 1 297 . 1 1 38 38 ALA HB2 H 1 1.25 0.01 . 1 . . . . . . . . 4929 1 298 . 1 1 38 38 ALA HB3 H 1 1.25 0.01 . 1 . . . . . . . . 4929 1 299 . 1 1 38 38 ALA C C 13 178.65 0.01 . 1 . . . . . . . . 4929 1 300 . 1 1 38 38 ALA CA C 13 53.66 0.01 . 1 . . . . . . . . 4929 1 301 . 1 1 38 38 ALA CB C 13 18.86 0.01 . 1 . . . . . . . . 4929 1 302 . 1 1 38 38 ALA N N 15 118.06 0.01 . 1 . . . . . . . . 4929 1 303 . 1 1 39 39 LYS H H 1 6.68 0.01 . 1 . . . . . . . . 4929 1 304 . 1 1 39 39 LYS HA H 1 3.90 0.01 . 1 . . . . . . . . 4929 1 305 . 1 1 39 39 LYS C C 13 176.47 0.01 . 1 . . . . . . . . 4929 1 306 . 1 1 39 39 LYS CA C 13 55.45 0.01 . 1 . . . . . . . . 4929 1 307 . 1 1 39 39 LYS CB C 13 33.05 0.01 . 1 . . . . . . . . 4929 1 308 . 1 1 39 39 LYS CG C 13 24.81 0.01 . 1 . . . . . . . . 4929 1 309 . 1 1 39 39 LYS CD C 13 28.91 0.01 . 1 . . . . . . . . 4929 1 310 . 1 1 39 39 LYS CE C 13 42.29 0.01 . 1 . . . . . . . . 4929 1 311 . 1 1 39 39 LYS N N 15 113.81 0.01 . 1 . . . . . . . . 4929 1 312 . 1 1 40 40 VAL H H 1 6.54 0.01 . 1 . . . . . . . . 4929 1 313 . 1 1 40 40 VAL HA H 1 3.47 0.01 . 1 . . . . . . . . 4929 1 314 . 1 1 40 40 VAL HB H 1 1.59 0.01 . 1 . . . . . . . . 4929 1 315 . 1 1 40 40 VAL HG11 H 1 0.63 0.01 . 2 . . . . . . . . 4929 1 316 . 1 1 40 40 VAL HG12 H 1 0.63 0.01 . 2 . . . . . . . . 4929 1 317 . 1 1 40 40 VAL HG13 H 1 0.63 0.01 . 2 . . . . . . . . 4929 1 318 . 1 1 40 40 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . 4929 1 319 . 1 1 40 40 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . 4929 1 320 . 1 1 40 40 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . 4929 1 321 . 1 1 40 40 VAL C C 13 176.53 0.01 . 1 . . . . . . . . 4929 1 322 . 1 1 40 40 VAL CA C 13 65.98 0.01 . 1 . . . . . . . . 4929 1 323 . 1 1 40 40 VAL CB C 13 31.05 0.01 . 1 . . . . . . . . 4929 1 324 . 1 1 40 40 VAL CG1 C 13 22.66 0.01 . 2 . . . . . . . . 4929 1 325 . 1 1 40 40 VAL N N 15 117.07 0.01 . 1 . . . . . . . . 4929 1 326 . 1 1 41 41 SER H H 1 8.35 0.01 . 1 . . . . . . . . 4929 1 327 . 1 1 41 41 SER HA H 1 4.00 0.01 . 1 . . . . . . . . 4929 1 328 . 1 1 41 41 SER HB2 H 1 3.69 0.01 . 2 . . . . . . . . 4929 1 329 . 1 1 41 41 SER HB3 H 1 3.77 0.01 . 2 . . . . . . . . 4929 1 330 . 1 1 41 41 SER C C 13 176.89 0.01 . 1 . . . . . . . . 4929 1 331 . 1 1 41 41 SER CA C 13 61.60 0.01 . 1 . . . . . . . . 4929 1 332 . 1 1 41 41 SER CB C 13 61.97 0.01 . 1 . . . . . . . . 4929 1 333 . 1 1 41 41 SER N N 15 117.66 0.01 . 1 . . . . . . . . 4929 1 334 . 1 1 42 42 GLN H H 1 7.67 0.01 . 1 . . . . . . . . 4929 1 335 . 1 1 42 42 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 4929 1 336 . 1 1 42 42 GLN HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4929 1 337 . 1 1 42 42 GLN HG2 H 1 2.38 0.01 . 2 . . . . . . . . 4929 1 338 . 1 1 42 42 GLN C C 13 179.01 0.01 . 1 . . . . . . . . 4929 1 339 . 1 1 42 42 GLN CA C 13 58.51 0.01 . 1 . . . . . . . . 4929 1 340 . 1 1 42 42 GLN CB C 13 27.96 0.01 . 1 . . . . . . . . 4929 1 341 . 1 1 42 42 GLN CG C 13 33.99 0.01 . 1 . . . . . . . . 4929 1 342 . 1 1 42 42 GLN N N 15 122.81 0.01 . 1 . . . . . . . . 4929 1 343 . 1 1 43 43 TRP H H 1 8.12 0.01 . 1 . . . . . . . . 4929 1 344 . 1 1 43 43 TRP HA H 1 4.45 0.01 . 1 . . . . . . . . 4929 1 345 . 1 1 43 43 TRP C C 13 179.12 0.01 . 1 . . . . . . . . 4929 1 346 . 1 1 43 43 TRP CA C 13 57.92 0.01 . 1 . . . . . . . . 4929 1 347 . 1 1 43 43 TRP CB C 13 29.38 0.01 . 1 . . . . . . . . 4929 1 348 . 1 1 43 43 TRP N N 15 120.92 0.01 . 1 . . . . . . . . 4929 1 349 . 1 1 44 44 THR H H 1 8.68 0.01 . 1 . . . . . . . . 4929 1 350 . 1 1 44 44 THR HA H 1 3.85 0.01 . 1 . . . . . . . . 4929 1 351 . 1 1 44 44 THR HB H 1 4.21 0.01 . 1 . . . . . . . . 4929 1 352 . 1 1 44 44 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 4929 1 353 . 1 1 44 44 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 4929 1 354 . 1 1 44 44 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 4929 1 355 . 1 1 44 44 THR C C 13 176.58 0.01 . 1 . . . . . . . . 4929 1 356 . 1 1 44 44 THR CA C 13 66.93 0.01 . 1 . . . . . . . . 4929 1 357 . 1 1 44 44 THR CB C 13 68.00 0.01 . 1 . . . . . . . . 4929 1 358 . 1 1 44 44 THR CG2 C 13 22.63 0.01 . 1 . . . . . . . . 4929 1 359 . 1 1 44 44 THR N N 15 113.48 0.01 . 1 . . . . . . . . 4929 1 360 . 1 1 45 45 SER H H 1 7.72 0.01 . 1 . . . . . . . . 4929 1 361 . 1 1 45 45 SER HA H 1 4.13 0.01 . 1 . . . . . . . . 4929 1 362 . 1 1 45 45 SER HB2 H 1 4.04 0.01 . 2 . . . . . . . . 4929 1 363 . 1 1 45 45 SER C C 13 177.20 0.01 . 1 . . . . . . . . 4929 1 364 . 1 1 45 45 SER CA C 13 62.62 0.01 . 1 . . . . . . . . 4929 1 365 . 1 1 45 45 SER N N 15 115.86 0.01 . 1 . . . . . . . . 4929 1 366 . 1 1 46 46 SER H H 1 8.58 0.01 . 1 . . . . . . . . 4929 1 367 . 1 1 46 46 SER HA H 1 4.33 0.01 . 1 . . . . . . . . 4929 1 368 . 1 1 46 46 SER HB2 H 1 4.27 0.01 . 2 . . . . . . . . 4929 1 369 . 1 1 46 46 SER C C 13 176.74 0.01 . 1 . . . . . . . . 4929 1 370 . 1 1 46 46 SER CA C 13 62.20 0.01 . 1 . . . . . . . . 4929 1 371 . 1 1 46 46 SER CB C 13 63.41 0.01 . 1 . . . . . . . . 4929 1 372 . 1 1 46 46 SER N N 15 117.85 0.01 . 1 . . . . . . . . 4929 1 373 . 1 1 47 47 CYS H H 1 8.75 0.01 . 1 . . . . . . . . 4929 1 374 . 1 1 47 47 CYS HA H 1 3.91 0.01 . 1 . . . . . . . . 4929 1 375 . 1 1 47 47 CYS HB2 H 1 2.52 0.01 . 2 . . . . . . . . 4929 1 376 . 1 1 47 47 CYS C C 13 176.66 0.01 . 1 . . . . . . . . 4929 1 377 . 1 1 47 47 CYS CA C 13 64.22 0.01 . 1 . . . . . . . . 4929 1 378 . 1 1 47 47 CYS CB C 13 26.96 0.01 . 1 . . . . . . . . 4929 1 379 . 1 1 47 47 CYS N N 15 122.32 0.01 . 1 . . . . . . . . 4929 1 380 . 1 1 48 48 LEU H H 1 7.84 0.01 . 1 . . . . . . . . 4929 1 381 . 1 1 48 48 LEU HA H 1 4.03 0.01 . 1 . . . . . . . . 4929 1 382 . 1 1 48 48 LEU HB2 H 1 1.35 0.01 . 2 . . . . . . . . 4929 1 383 . 1 1 48 48 LEU HD11 H 1 0.65 0.01 . 2 . . . . . . . . 4929 1 384 . 1 1 48 48 LEU HD12 H 1 0.65 0.01 . 2 . . . . . . . . 4929 1 385 . 1 1 48 48 LEU HD13 H 1 0.65 0.01 . 2 . . . . . . . . 4929 1 386 . 1 1 48 48 LEU C C 13 177.95 0.01 . 1 . . . . . . . . 4929 1 387 . 1 1 48 48 LEU CA C 13 58.32 0.01 . 1 . . . . . . . . 4929 1 388 . 1 1 48 48 LEU CB C 13 41.71 0.01 . 1 . . . . . . . . 4929 1 389 . 1 1 48 48 LEU CG C 13 19.32 0.01 . 1 . . . . . . . . 4929 1 390 . 1 1 48 48 LEU CD1 C 13 17.14 0.01 . 2 . . . . . . . . 4929 1 391 . 1 1 48 48 LEU N N 15 118.06 0.01 . 1 . . . . . . . . 4929 1 392 . 1 1 49 49 GLU H H 1 8.21 0.01 . 1 . . . . . . . . 4929 1 393 . 1 1 49 49 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 4929 1 394 . 1 1 49 49 GLU HB2 H 1 2.33 0.01 . 2 . . . . . . . . 4929 1 395 . 1 1 49 49 GLU C C 13 179.29 0.01 . 1 . . . . . . . . 4929 1 396 . 1 1 49 49 GLU CA C 13 59.55 0.01 . 1 . . . . . . . . 4929 1 397 . 1 1 49 49 GLU CB C 13 29.79 0.01 . 1 . . . . . . . . 4929 1 398 . 1 1 49 49 GLU CG C 13 36.21 0.01 . 1 . . . . . . . . 4929 1 399 . 1 1 49 49 GLU N N 15 119.25 0.01 . 1 . . . . . . . . 4929 1 400 . 1 1 50 50 HIS H H 1 8.17 0.01 . 1 . . . . . . . . 4929 1 401 . 1 1 50 50 HIS HA H 1 4.49 0.01 . 1 . . . . . . . . 4929 1 402 . 1 1 50 50 HIS HB2 H 1 3.18 0.01 . 2 . . . . . . . . 4929 1 403 . 1 1 50 50 HIS C C 13 177.71 0.01 . 1 . . . . . . . . 4929 1 404 . 1 1 50 50 HIS CA C 13 60.10 0.01 . 1 . . . . . . . . 4929 1 405 . 1 1 50 50 HIS CB C 13 31.22 0.01 . 1 . . . . . . . . 4929 1 406 . 1 1 50 50 HIS N N 15 117.92 0.01 . 1 . . . . . . . . 4929 1 407 . 1 1 51 51 CYS H H 1 7.90 0.01 . 1 . . . . . . . . 4929 1 408 . 1 1 51 51 CYS HA H 1 3.83 0.01 . 1 . . . . . . . . 4929 1 409 . 1 1 51 51 CYS HB2 H 1 3.13 0.01 . 2 . . . . . . . . 4929 1 410 . 1 1 51 51 CYS HB3 H 1 2.46 0.01 . 2 . . . . . . . . 4929 1 411 . 1 1 51 51 CYS C C 13 176.67 0.01 . 1 . . . . . . . . 4929 1 412 . 1 1 51 51 CYS CA C 13 63.79 0.01 . 1 . . . . . . . . 4929 1 413 . 1 1 51 51 CYS CB C 13 27.04 0.01 . 1 . . . . . . . . 4929 1 414 . 1 1 51 51 CYS N N 15 116.64 0.01 . 1 . . . . . . . . 4929 1 415 . 1 1 52 52 ILE H H 1 8.52 0.01 . 1 . . . . . . . . 4929 1 416 . 1 1 52 52 ILE HA H 1 4.23 0.01 . 1 . . . . . . . . 4929 1 417 . 1 1 52 52 ILE C C 13 178.40 0.01 . 1 . . . . . . . . 4929 1 418 . 1 1 52 52 ILE CA C 13 63.44 0.01 . 1 . . . . . . . . 4929 1 419 . 1 1 52 52 ILE CB C 13 36.41 0.01 . 1 . . . . . . . . 4929 1 420 . 1 1 52 52 ILE CD1 C 13 17.34 0.01 . 1 . . . . . . . . 4929 1 421 . 1 1 52 52 ILE N N 15 118.85 0.01 . 1 . . . . . . . . 4929 1 422 . 1 1 53 53 LYS H H 1 8.18 0.01 . 1 . . . . . . . . 4929 1 423 . 1 1 53 53 LYS HA H 1 3.74 0.01 . 1 . . . . . . . . 4929 1 424 . 1 1 53 53 LYS HB2 H 1 1.57 0.01 . 2 . . . . . . . . 4929 1 425 . 1 1 53 53 LYS HE2 H 1 2.88 0.01 . 2 . . . . . . . . 4929 1 426 . 1 1 53 53 LYS C C 13 179.27 0.01 . 1 . . . . . . . . 4929 1 427 . 1 1 53 53 LYS CA C 13 59.83 0.01 . 1 . . . . . . . . 4929 1 428 . 1 1 53 53 LYS CB C 13 32.06 0.01 . 1 . . . . . . . . 4929 1 429 . 1 1 53 53 LYS CG C 13 25.13 0.01 . 1 . . . . . . . . 4929 1 430 . 1 1 53 53 LYS CD C 13 29.21 0.01 . 1 . . . . . . . . 4929 1 431 . 1 1 53 53 LYS CE C 13 42.05 0.01 . 1 . . . . . . . . 4929 1 432 . 1 1 53 53 LYS N N 15 120.72 0.01 . 1 . . . . . . . . 4929 1 433 . 1 1 54 54 ARG H H 1 7.38 0.01 . 1 . . . . . . . . 4929 1 434 . 1 1 54 54 ARG HA H 1 3.92 0.01 . 1 . . . . . . . . 4929 1 435 . 1 1 54 54 ARG C C 13 179.22 0.01 . 1 . . . . . . . . 4929 1 436 . 1 1 54 54 ARG CA C 13 58.05 0.01 . 1 . . . . . . . . 4929 1 437 . 1 1 54 54 ARG CB C 13 31.30 0.01 . 1 . . . . . . . . 4929 1 438 . 1 1 54 54 ARG CG C 13 27.50 0.01 . 1 . . . . . . . . 4929 1 439 . 1 1 54 54 ARG N N 15 117.09 0.01 . 1 . . . . . . . . 4929 1 440 . 1 1 55 55 LEU H H 1 8.47 0.01 . 1 . . . . . . . . 4929 1 441 . 1 1 55 55 LEU HA H 1 4.75 0.01 . 1 . . . . . . . . 4929 1 442 . 1 1 55 55 LEU C C 13 181.06 0.01 . 1 . . . . . . . . 4929 1 443 . 1 1 55 55 LEU CA C 13 57.49 0.01 . 1 . . . . . . . . 4929 1 444 . 1 1 55 55 LEU CB C 13 41.51 0.01 . 1 . . . . . . . . 4929 1 445 . 1 1 55 55 LEU CD1 C 13 26.39 0.01 . 2 . . . . . . . . 4929 1 446 . 1 1 55 55 LEU N N 15 119.81 0.01 . 1 . . . . . . . . 4929 1 447 . 1 1 56 56 THR H H 1 8.33 0.01 . 1 . . . . . . . . 4929 1 448 . 1 1 56 56 THR HA H 1 3.75 0.01 . 1 . . . . . . . . 4929 1 449 . 1 1 56 56 THR HB H 1 3.67 0.01 . 1 . . . . . . . . 4929 1 450 . 1 1 56 56 THR HG21 H 1 0.03 0.01 . 1 . . . . . . . . 4929 1 451 . 1 1 56 56 THR HG22 H 1 0.03 0.01 . 1 . . . . . . . . 4929 1 452 . 1 1 56 56 THR HG23 H 1 0.03 0.01 . 1 . . . . . . . . 4929 1 453 . 1 1 56 56 THR C C 13 177.69 0.01 . 1 . . . . . . . . 4929 1 454 . 1 1 56 56 THR CA C 13 65.30 0.01 . 1 . . . . . . . . 4929 1 455 . 1 1 56 56 THR CB C 13 68.62 0.01 . 1 . . . . . . . . 4929 1 456 . 1 1 56 56 THR CG2 C 13 19.88 0.01 . 1 . . . . . . . . 4929 1 457 . 1 1 56 56 THR N N 15 111.94 0.01 . 1 . . . . . . . . 4929 1 458 . 1 1 57 57 ALA H H 1 7.02 0.01 . 1 . . . . . . . . 4929 1 459 . 1 1 57 57 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 4929 1 460 . 1 1 57 57 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 461 . 1 1 57 57 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 462 . 1 1 57 57 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 463 . 1 1 57 57 ALA C C 13 178.21 0.01 . 1 . . . . . . . . 4929 1 464 . 1 1 57 57 ALA CA C 13 53.67 0.01 . 1 . . . . . . . . 4929 1 465 . 1 1 57 57 ALA CB C 13 18.23 0.01 . 1 . . . . . . . . 4929 1 466 . 1 1 57 57 ALA N N 15 123.55 0.01 . 1 . . . . . . . . 4929 1 467 . 1 1 58 58 LEU H H 1 7.23 0.01 . 1 . . . . . . . . 4929 1 468 . 1 1 58 58 LEU HA H 1 4.11 0.01 . 1 . . . . . . . . 4929 1 469 . 1 1 58 58 LEU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4929 1 470 . 1 1 58 58 LEU HD11 H 1 0.78 0.01 . 2 . . . . . . . . 4929 1 471 . 1 1 58 58 LEU HD12 H 1 0.78 0.01 . 2 . . . . . . . . 4929 1 472 . 1 1 58 58 LEU HD13 H 1 0.78 0.01 . 2 . . . . . . . . 4929 1 473 . 1 1 58 58 LEU C C 13 177.92 0.01 . 1 . . . . . . . . 4929 1 474 . 1 1 58 58 LEU CA C 13 56.14 0.01 . 1 . . . . . . . . 4929 1 475 . 1 1 58 58 LEU CB C 13 41.72 0.01 . 1 . . . . . . . . 4929 1 476 . 1 1 58 58 LEU CG C 13 25.40 0.01 . 1 . . . . . . . . 4929 1 477 . 1 1 58 58 LEU CD1 C 13 21.70 0.01 . 2 . . . . . . . . 4929 1 478 . 1 1 58 58 LEU N N 15 115.24 0.01 . 1 . . . . . . . . 4929 1 479 . 1 1 59 59 ASN H H 1 7.88 0.01 . 1 . . . . . . . . 4929 1 480 . 1 1 59 59 ASN HA H 1 4.50 0.01 . 1 . . . . . . . . 4929 1 481 . 1 1 59 59 ASN HB2 H 1 2.66 0.01 . 2 . . . . . . . . 4929 1 482 . 1 1 59 59 ASN HB3 H 1 3.15 0.01 . 2 . . . . . . . . 4929 1 483 . 1 1 59 59 ASN C C 13 174.32 0.01 . 1 . . . . . . . . 4929 1 484 . 1 1 59 59 ASN CA C 13 54.22 0.01 . 1 . . . . . . . . 4929 1 485 . 1 1 59 59 ASN CB C 13 37.29 0.01 . 1 . . . . . . . . 4929 1 486 . 1 1 59 59 ASN N N 15 112.44 0.01 . 1 . . . . . . . . 4929 1 487 . 1 1 60 60 LYS H H 1 8.49 0.01 . 1 . . . . . . . . 4929 1 488 . 1 1 60 60 LYS HA H 1 4.83 0.01 . 1 . . . . . . . . 4929 1 489 . 1 1 60 60 LYS C C 13 176.75 0.01 . 1 . . . . . . . . 4929 1 490 . 1 1 60 60 LYS CA C 13 53.39 0.01 . 1 . . . . . . . . 4929 1 491 . 1 1 60 60 LYS CB C 13 33.83 0.01 . 1 . . . . . . . . 4929 1 492 . 1 1 60 60 LYS N N 15 117.99 0.01 . 1 . . . . . . . . 4929 1 493 . 1 1 61 61 PRO C C 13 173.53 0.01 . 1 . . . . . . . . 4929 1 494 . 1 1 61 61 PRO CA C 13 62.62 0.01 . 1 . . . . . . . . 4929 1 495 . 1 1 61 61 PRO CB C 13 27.70 0.01 . 1 . . . . . . . . 4929 1 496 . 1 1 61 61 PRO CG C 13 24.96 0.01 . 1 . . . . . . . . 4929 1 497 . 1 1 61 61 PRO CD C 13 50.21 0.01 . 1 . . . . . . . . 4929 1 498 . 1 1 62 62 PHE H H 1 8.41 0.01 . 1 . . . . . . . . 4929 1 499 . 1 1 62 62 PHE HA H 1 4.37 0.01 . 1 . . . . . . . . 4929 1 500 . 1 1 62 62 PHE HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4929 1 501 . 1 1 62 62 PHE C C 13 175.72 0.01 . 1 . . . . . . . . 4929 1 502 . 1 1 62 62 PHE CA C 13 57.39 0.01 . 1 . . . . . . . . 4929 1 503 . 1 1 62 62 PHE CB C 13 43.28 0.01 . 1 . . . . . . . . 4929 1 504 . 1 1 62 62 PHE N N 15 124.04 0.01 . 1 . . . . . . . . 4929 1 505 . 1 1 63 63 LYS H H 1 9.08 0.01 . 1 . . . . . . . . 4929 1 506 . 1 1 63 63 LYS HA H 1 4.97 0.01 . 1 . . . . . . . . 4929 1 507 . 1 1 63 63 LYS C C 13 175.78 0.01 . 1 . . . . . . . . 4929 1 508 . 1 1 63 63 LYS CA C 13 55.91 0.01 . 1 . . . . . . . . 4929 1 509 . 1 1 63 63 LYS CB C 13 36.09 0.01 . 1 . . . . . . . . 4929 1 510 . 1 1 63 63 LYS N N 15 118.82 0.01 . 1 . . . . . . . . 4929 1 511 . 1 1 64 64 TYR H H 1 9.35 0.01 . 1 . . . . . . . . 4929 1 512 . 1 1 64 64 TYR HA H 1 3.48 0.01 . 1 . . . . . . . . 4929 1 513 . 1 1 64 64 TYR C C 13 175.59 0.01 . 1 . . . . . . . . 4929 1 514 . 1 1 64 64 TYR CA C 13 56.54 0.01 . 1 . . . . . . . . 4929 1 515 . 1 1 64 64 TYR CB C 13 43.10 0.01 . 1 . . . . . . . . 4929 1 516 . 1 1 64 64 TYR N N 15 115.44 0.01 . 1 . . . . . . . . 4929 1 517 . 1 1 65 65 VAL H H 1 9.04 0.01 . 1 . . . . . . . . 4929 1 518 . 1 1 65 65 VAL HA H 1 4.18 0.01 . 1 . . . . . . . . 4929 1 519 . 1 1 65 65 VAL C C 13 174.18 0.01 . 1 . . . . . . . . 4929 1 520 . 1 1 65 65 VAL CA C 13 61.88 0.01 . 1 . . . . . . . . 4929 1 521 . 1 1 65 65 VAL CB C 13 34.88 0.01 . 1 . . . . . . . . 4929 1 522 . 1 1 65 65 VAL CG1 C 13 22.48 0.01 . 2 . . . . . . . . 4929 1 523 . 1 1 65 65 VAL N N 15 122.62 0.01 . 1 . . . . . . . . 4929 1 524 . 1 1 66 66 VAL H H 1 8.73 0.01 . 1 . . . . . . . . 4929 1 525 . 1 1 66 66 VAL HA H 1 5.40 0.01 . 1 . . . . . . . . 4929 1 526 . 1 1 66 66 VAL HB H 1 1.70 0.01 . 1 . . . . . . . . 4929 1 527 . 1 1 66 66 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 4929 1 528 . 1 1 66 66 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 4929 1 529 . 1 1 66 66 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 4929 1 530 . 1 1 66 66 VAL C C 13 174.96 0.01 . 1 . . . . . . . . 4929 1 531 . 1 1 66 66 VAL CA C 13 59.96 0.01 . 1 . . . . . . . . 4929 1 532 . 1 1 66 66 VAL CB C 13 33.33 0.01 . 1 . . . . . . . . 4929 1 533 . 1 1 66 66 VAL CG1 C 13 22.14 0.01 . 2 . . . . . . . . 4929 1 534 . 1 1 66 66 VAL N N 15 127.54 0.01 . 1 . . . . . . . . 4929 1 535 . 1 1 67 67 THR H H 1 9.25 0.01 . 1 . . . . . . . . 4929 1 536 . 1 1 67 67 THR HA H 1 5.21 0.01 . 1 . . . . . . . . 4929 1 537 . 1 1 67 67 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 4929 1 538 . 1 1 67 67 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 4929 1 539 . 1 1 67 67 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 4929 1 540 . 1 1 67 67 THR C C 13 173.57 0.01 . 1 . . . . . . . . 4929 1 541 . 1 1 67 67 THR CA C 13 59.28 0.01 . 1 . . . . . . . . 4929 1 542 . 1 1 67 67 THR CB C 13 71.17 0.01 . 1 . . . . . . . . 4929 1 543 . 1 1 67 67 THR CG2 C 13 21.48 0.01 . 1 . . . . . . . . 4929 1 544 . 1 1 67 67 THR N N 15 115.88 0.01 . 1 . . . . . . . . 4929 1 545 . 1 1 68 68 CYS H H 1 8.83 0.01 . 1 . . . . . . . . 4929 1 546 . 1 1 68 68 CYS HA H 1 5.33 0.01 . 1 . . . . . . . . 4929 1 547 . 1 1 68 68 CYS C C 13 172.44 0.01 . 1 . . . . . . . . 4929 1 548 . 1 1 68 68 CYS CA C 13 58.32 0.01 . 1 . . . . . . . . 4929 1 549 . 1 1 68 68 CYS CB C 13 30.40 0.01 . 1 . . . . . . . . 4929 1 550 . 1 1 68 68 CYS N N 15 121.72 0.01 . 1 . . . . . . . . 4929 1 551 . 1 1 69 69 ILE H H 1 8.84 0.01 . 1 . . . . . . . . 4929 1 552 . 1 1 69 69 ILE HA H 1 5.14 0.01 . 1 . . . . . . . . 4929 1 553 . 1 1 69 69 ILE HB H 1 1.81 0.01 . 1 . . . . . . . . 4929 1 554 . 1 1 69 69 ILE HD11 H 1 0.97 0.01 . 1 . . . . . . . . 4929 1 555 . 1 1 69 69 ILE HD12 H 1 0.97 0.01 . 1 . . . . . . . . 4929 1 556 . 1 1 69 69 ILE HD13 H 1 0.97 0.01 . 1 . . . . . . . . 4929 1 557 . 1 1 69 69 ILE C C 13 175.10 0.01 . 1 . . . . . . . . 4929 1 558 . 1 1 69 69 ILE CA C 13 60.47 0.01 . 1 . . . . . . . . 4929 1 559 . 1 1 69 69 ILE CB C 13 42.92 0.01 . 1 . . . . . . . . 4929 1 560 . 1 1 69 69 ILE N N 15 129.78 0.01 . 1 . . . . . . . . 4929 1 561 . 1 1 70 70 ILE H H 1 8.77 0.01 . 1 . . . . . . . . 4929 1 562 . 1 1 70 70 ILE HA H 1 4.09 0.01 . 1 . . . . . . . . 4929 1 563 . 1 1 70 70 ILE HB H 1 2.18 0.01 . 1 . . . . . . . . 4929 1 564 . 1 1 70 70 ILE HD11 H 1 0.92 0.01 . 1 . . . . . . . . 4929 1 565 . 1 1 70 70 ILE HD12 H 1 0.92 0.01 . 1 . . . . . . . . 4929 1 566 . 1 1 70 70 ILE HD13 H 1 0.92 0.01 . 1 . . . . . . . . 4929 1 567 . 1 1 70 70 ILE C C 13 176.04 0.01 . 1 . . . . . . . . 4929 1 568 . 1 1 70 70 ILE CA C 13 61.48 0.01 . 1 . . . . . . . . 4929 1 569 . 1 1 70 70 ILE CB C 13 40.71 0.01 . 1 . . . . . . . . 4929 1 570 . 1 1 70 70 ILE CG1 C 13 24.05 0.01 . 2 . . . . . . . . 4929 1 571 . 1 1 70 70 ILE CD1 C 13 17.47 0.01 . 1 . . . . . . . . 4929 1 572 . 1 1 70 70 ILE N N 15 125.62 0.01 . 1 . . . . . . . . 4929 1 573 . 1 1 71 71 MET H H 1 8.29 0.01 . 1 . . . . . . . . 4929 1 574 . 1 1 71 71 MET HA H 1 4.57 0.01 . 1 . . . . . . . . 4929 1 575 . 1 1 71 71 MET HB2 H 1 2.33 0.01 . 2 . . . . . . . . 4929 1 576 . 1 1 71 71 MET HG2 H 1 2.50 0.01 . 2 . . . . . . . . 4929 1 577 . 1 1 71 71 MET C C 13 175.52 0.01 . 1 . . . . . . . . 4929 1 578 . 1 1 71 71 MET CA C 13 54.66 0.01 . 1 . . . . . . . . 4929 1 579 . 1 1 71 71 MET CB C 13 34.354 0.01 . 1 . . . . . . . . 4929 1 580 . 1 1 71 71 MET CG C 13 32.06 0.01 . 1 . . . . . . . . 4929 1 581 . 1 1 71 71 MET N N 15 123.75 0.01 . 1 . . . . . . . . 4929 1 582 . 1 1 72 72 GLN H H 1 8.79 0.01 . 1 . . . . . . . . 4929 1 583 . 1 1 72 72 GLN HA H 1 4.37 0.01 . 1 . . . . . . . . 4929 1 584 . 1 1 72 72 GLN C C 13 175.42 0.01 . 1 . . . . . . . . 4929 1 585 . 1 1 72 72 GLN CA C 13 56.27 0.01 . 1 . . . . . . . . 4929 1 586 . 1 1 72 72 GLN CB C 13 31.57 0.01 . 1 . . . . . . . . 4929 1 587 . 1 1 72 72 GLN CG C 13 33.26 0.01 . 1 . . . . . . . . 4929 1 588 . 1 1 72 72 GLN N N 15 122.45 0.01 . 1 . . . . . . . . 4929 1 589 . 1 1 73 73 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 4929 1 590 . 1 1 73 73 LYS HA H 1 4.23 0.01 . 1 . . . . . . . . 4929 1 591 . 1 1 73 73 LYS C C 13 175.84 0.01 . 1 . . . . . . . . 4929 1 592 . 1 1 73 73 LYS CA C 13 57.50 0.01 . 1 . . . . . . . . 4929 1 593 . 1 1 73 73 LYS CB C 13 33.82 0.01 . 1 . . . . . . . . 4929 1 594 . 1 1 73 73 LYS CG C 13 26.97 0.01 . 1 . . . . . . . . 4929 1 595 . 1 1 73 73 LYS CD C 13 29.80 0.01 . 1 . . . . . . . . 4929 1 596 . 1 1 73 73 LYS CE C 13 42.01 0.01 . 1 . . . . . . . . 4929 1 597 . 1 1 73 73 LYS N N 15 125.50 0.01 . 1 . . . . . . . . 4929 1 598 . 1 1 74 74 ASN H H 1 8.13 0.01 . 1 . . . . . . . . 4929 1 599 . 1 1 74 74 ASN HA H 1 4.47 0.01 . 1 . . . . . . . . 4929 1 600 . 1 1 74 74 ASN HB2 H 1 2.80 0.01 . 2 . . . . . . . . 4929 1 601 . 1 1 74 74 ASN C C 13 175.78 0.01 . 1 . . . . . . . . 4929 1 602 . 1 1 74 74 ASN CA C 13 54.63 0.01 . 1 . . . . . . . . 4929 1 603 . 1 1 74 74 ASN CB C 13 40.27 0.01 . 1 . . . . . . . . 4929 1 604 . 1 1 74 74 ASN N N 15 125.74 0.01 . 1 . . . . . . . . 4929 1 605 . 1 1 75 75 GLY H H 1 8.15 0.01 . 1 . . . . . . . . 4929 1 606 . 1 1 75 75 GLY HA2 H 1 3.92 0.01 . 2 . . . . . . . . 4929 1 607 . 1 1 75 75 GLY HA3 H 1 4.10 0.01 . 2 . . . . . . . . 4929 1 608 . 1 1 75 75 GLY C C 13 173.74 0.01 . 1 . . . . . . . . 4929 1 609 . 1 1 75 75 GLY CA C 13 45.33 0.01 . 1 . . . . . . . . 4929 1 610 . 1 1 75 75 GLY N N 15 113.89 0.01 . 1 . . . . . . . . 4929 1 611 . 1 1 76 76 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 4929 1 612 . 1 1 76 76 ALA HA H 1 4.46 0.01 . 1 . . . . . . . . 4929 1 613 . 1 1 76 76 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 4929 1 614 . 1 1 76 76 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 4929 1 615 . 1 1 76 76 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 4929 1 616 . 1 1 76 76 ALA C C 13 177.45 0.01 . 1 . . . . . . . . 4929 1 617 . 1 1 76 76 ALA CA C 13 51.99 0.01 . 1 . . . . . . . . 4929 1 618 . 1 1 76 76 ALA CB C 13 20.22 0.01 . 1 . . . . . . . . 4929 1 619 . 1 1 76 76 ALA N N 15 124.04 0.01 . 1 . . . . . . . . 4929 1 620 . 1 1 77 77 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 4929 1 621 . 1 1 77 77 GLY HA2 H 1 3.67 0.01 . 2 . . . . . . . . 4929 1 622 . 1 1 77 77 GLY HA3 H 1 4.03 0.01 . 2 . . . . . . . . 4929 1 623 . 1 1 77 77 GLY C C 13 172.17 0.01 . 1 . . . . . . . . 4929 1 624 . 1 1 77 77 GLY CA C 13 45.73 0.01 . 1 . . . . . . . . 4929 1 625 . 1 1 77 77 GLY N N 15 108.34 0.01 . 1 . . . . . . . . 4929 1 626 . 1 1 78 78 LEU H H 1 7.86 0.01 . 1 . . . . . . . . 4929 1 627 . 1 1 78 78 LEU HA H 1 4.95 0.01 . 1 . . . . . . . . 4929 1 628 . 1 1 78 78 LEU C C 13 175.65 0.01 . 1 . . . . . . . . 4929 1 629 . 1 1 78 78 LEU CA C 13 54.78 0.01 . 1 . . . . . . . . 4929 1 630 . 1 1 78 78 LEU CB C 13 44.00 0.01 . 1 . . . . . . . . 4929 1 631 . 1 1 78 78 LEU CD1 C 13 26.04 0.01 . 2 . . . . . . . . 4929 1 632 . 1 1 78 78 LEU N N 15 122.87 0.01 . 1 . . . . . . . . 4929 1 633 . 1 1 79 79 HIS H H 1 8.99 0.01 . 1 . . . . . . . . 4929 1 634 . 1 1 79 79 HIS HA H 1 5.00 0.01 . 1 . . . . . . . . 4929 1 635 . 1 1 79 79 HIS HB2 H 1 3.08 0.01 . 2 . . . . . . . . 4929 1 636 . 1 1 79 79 HIS C C 13 172.97 0.01 . 1 . . . . . . . . 4929 1 637 . 1 1 79 79 HIS CA C 13 55.63 0.01 . 1 . . . . . . . . 4929 1 638 . 1 1 79 79 HIS CB C 13 32.84 0.01 . 1 . . . . . . . . 4929 1 639 . 1 1 79 79 HIS N N 15 125.50 0.01 . 1 . . . . . . . . 4929 1 640 . 1 1 80 80 THR H H 1 8.11 0.01 . 1 . . . . . . . . 4929 1 641 . 1 1 80 80 THR HA H 1 4.32 0.01 . 1 . . . . . . . . 4929 1 642 . 1 1 80 80 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 4929 1 643 . 1 1 80 80 THR HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4929 1 644 . 1 1 80 80 THR HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4929 1 645 . 1 1 80 80 THR HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4929 1 646 . 1 1 80 80 THR C C 13 171.58 0.01 . 1 . . . . . . . . 4929 1 647 . 1 1 80 80 THR CA C 13 58.59 0.01 . 1 . . . . . . . . 4929 1 648 . 1 1 80 80 THR CB C 13 70.87 0.01 . 1 . . . . . . . . 4929 1 649 . 1 1 80 80 THR CG2 C 13 20.79 0.01 . 1 . . . . . . . . 4929 1 650 . 1 1 80 80 THR N N 15 116.82 0.01 . 1 . . . . . . . . 4929 1 651 . 1 1 81 81 ALA H H 1 8.51 0.01 . 1 . . . . . . . . 4929 1 652 . 1 1 81 81 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 4929 1 653 . 1 1 81 81 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 654 . 1 1 81 81 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 655 . 1 1 81 81 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 656 . 1 1 81 81 ALA C C 13 174.34 0.01 . 1 . . . . . . . . 4929 1 657 . 1 1 81 81 ALA CA C 13 51.56 0.01 . 1 . . . . . . . . 4929 1 658 . 1 1 81 81 ALA CB C 13 23.55 0.01 . 1 . . . . . . . . 4929 1 659 . 1 1 81 81 ALA N N 15 125.50 0.01 . 1 . . . . . . . . 4929 1 660 . 1 1 82 82 ALA H H 1 8.64 0.01 . 1 . . . . . . . . 4929 1 661 . 1 1 82 82 ALA HA H 1 4.40 0.01 . 1 . . . . . . . . 4929 1 662 . 1 1 82 82 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 663 . 1 1 82 82 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 664 . 1 1 82 82 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4929 1 665 . 1 1 82 82 ALA C C 13 176.34 0.01 . 1 . . . . . . . . 4929 1 666 . 1 1 82 82 ALA CA C 13 51.00 0.01 . 1 . . . . . . . . 4929 1 667 . 1 1 82 82 ALA CB C 13 23.65 0.01 . 1 . . . . . . . . 4929 1 668 . 1 1 82 82 ALA N N 15 121.39 0.01 . 1 . . . . . . . . 4929 1 669 . 1 1 83 83 SER H H 1 9.14 0.01 . 1 . . . . . . . . 4929 1 670 . 1 1 83 83 SER HA H 1 5.69 0.01 . 1 . . . . . . . . 4929 1 671 . 1 1 83 83 SER C C 13 172.82 0.01 . 1 . . . . . . . . 4929 1 672 . 1 1 83 83 SER CA C 13 58.18 0.01 . 1 . . . . . . . . 4929 1 673 . 1 1 83 83 SER CB C 13 66.67 0.01 . 1 . . . . . . . . 4929 1 674 . 1 1 83 83 SER N N 15 115.08 0.01 . 1 . . . . . . . . 4929 1 675 . 1 1 84 84 CYS H H 1 8.39 0.01 . 1 . . . . . . . . 4929 1 676 . 1 1 84 84 CYS HA H 1 4.58 0.01 . 1 . . . . . . . . 4929 1 677 . 1 1 84 84 CYS C C 13 173.30 0.01 . 1 . . . . . . . . 4929 1 678 . 1 1 84 84 CYS CA C 13 55.21 0.01 . 1 . . . . . . . . 4929 1 679 . 1 1 84 84 CYS CB C 13 31.05 0.01 . 1 . . . . . . . . 4929 1 680 . 1 1 84 84 CYS N N 15 120.25 0.01 . 1 . . . . . . . . 4929 1 681 . 1 1 85 85 TRP H H 1 9.52 0.01 . 1 . . . . . . . . 4929 1 682 . 1 1 85 85 TRP HA H 1 5.19 0.01 . 1 . . . . . . . . 4929 1 683 . 1 1 85 85 TRP C C 13 173.55 0.01 . 1 . . . . . . . . 4929 1 684 . 1 1 85 85 TRP CA C 13 55.86 0.01 . 1 . . . . . . . . 4929 1 685 . 1 1 85 85 TRP CB C 13 31.23 0.01 . 1 . . . . . . . . 4929 1 686 . 1 1 85 85 TRP N N 15 126.66 0.01 . 1 . . . . . . . . 4929 1 687 . 1 1 86 86 TRP H H 1 8.52 0.01 . 1 . . . . . . . . 4929 1 688 . 1 1 86 86 TRP HA H 1 4.60 0.01 . 1 . . . . . . . . 4929 1 689 . 1 1 86 86 TRP C C 13 173.76 0.01 . 1 . . . . . . . . 4929 1 690 . 1 1 86 86 TRP CA C 13 54.34 0.01 . 1 . . . . . . . . 4929 1 691 . 1 1 86 86 TRP CB C 13 28.00 0.01 . 1 . . . . . . . . 4929 1 692 . 1 1 86 86 TRP N N 15 122.87 0.01 . 1 . . . . . . . . 4929 1 693 . 1 1 87 87 ASP H H 1 8.65 0.01 . 1 . . . . . . . . 4929 1 694 . 1 1 87 87 ASP HA H 1 5.10 0.01 . 1 . . . . . . . . 4929 1 695 . 1 1 87 87 ASP C C 13 175.93 0.01 . 1 . . . . . . . . 4929 1 696 . 1 1 87 87 ASP CA C 13 52.44 0.01 . 1 . . . . . . . . 4929 1 697 . 1 1 87 87 ASP CB C 13 41.34 0.01 . 1 . . . . . . . . 4929 1 698 . 1 1 87 87 ASP N N 15 119.17 0.01 . 1 . . . . . . . . 4929 1 699 . 1 1 88 88 SER H H 1 8.72 0.01 . 1 . . . . . . . . 4929 1 700 . 1 1 88 88 SER HA H 1 4.06 0.01 . 1 . . . . . . . . 4929 1 701 . 1 1 88 88 SER HB2 H 1 3.97 0.01 . 2 . . . . . . . . 4929 1 702 . 1 1 88 88 SER C C 13 175.46 0.01 . 1 . . . . . . . . 4929 1 703 . 1 1 88 88 SER CA C 13 60.36 0.01 . 1 . . . . . . . . 4929 1 704 . 1 1 88 88 SER CB C 13 63.42 0.01 . 1 . . . . . . . . 4929 1 705 . 1 1 88 88 SER N N 15 120.53 0.01 . 1 . . . . . . . . 4929 1 706 . 1 1 89 89 THR H H 1 8.70 0.01 . 1 . . . . . . . . 4929 1 707 . 1 1 89 89 THR HA H 1 4.31 0.01 . 1 . . . . . . . . 4929 1 708 . 1 1 89 89 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 4929 1 709 . 1 1 89 89 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 4929 1 710 . 1 1 89 89 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 4929 1 711 . 1 1 89 89 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 4929 1 712 . 1 1 89 89 THR C C 13 175.87 0.01 . 1 . . . . . . . . 4929 1 713 . 1 1 89 89 THR CA C 13 64.74 0.01 . 1 . . . . . . . . 4929 1 714 . 1 1 89 89 THR CB C 13 69.11 0.01 . 1 . . . . . . . . 4929 1 715 . 1 1 89 89 THR CG2 C 13 22.11 0.01 . 1 . . . . . . . . 4929 1 716 . 1 1 89 89 THR N N 15 115.02 0.01 . 1 . . . . . . . . 4929 1 717 . 1 1 90 90 THR H H 1 7.10 0.01 . 1 . . . . . . . . 4929 1 718 . 1 1 90 90 THR HA H 1 4.47 0.01 . 1 . . . . . . . . 4929 1 719 . 1 1 90 90 THR HG21 H 1 0.93 0.01 . 1 . . . . . . . . 4929 1 720 . 1 1 90 90 THR HG22 H 1 0.93 0.01 . 1 . . . . . . . . 4929 1 721 . 1 1 90 90 THR HG23 H 1 0.93 0.01 . 1 . . . . . . . . 4929 1 722 . 1 1 90 90 THR C C 13 173.81 0.01 . 1 . . . . . . . . 4929 1 723 . 1 1 90 90 THR CA C 13 62.28 0.01 . 1 . . . . . . . . 4929 1 724 . 1 1 90 90 THR CB C 13 70.90 0.01 . 1 . . . . . . . . 4929 1 725 . 1 1 90 90 THR CG2 C 13 20.36 0.01 . 1 . . . . . . . . 4929 1 726 . 1 1 90 90 THR N N 15 109.33 0.01 . 1 . . . . . . . . 4929 1 727 . 1 1 91 91 ASP H H 1 8.10 0.01 . 1 . . . . . . . . 4929 1 728 . 1 1 91 91 ASP HA H 1 4.03 0.01 . 1 . . . . . . . . 4929 1 729 . 1 1 91 91 ASP C C 13 175.28 0.01 . 1 . . . . . . . . 4929 1 730 . 1 1 91 91 ASP CA C 13 53.92 0.01 . 1 . . . . . . . . 4929 1 731 . 1 1 91 91 ASP CB C 13 40.57 0.01 . 1 . . . . . . . . 4929 1 732 . 1 1 91 91 ASP N N 15 125.44 0.01 . 1 . . . . . . . . 4929 1 733 . 1 1 92 92 GLY H H 1 7.97 0.01 . 1 . . . . . . . . 4929 1 734 . 1 1 92 92 GLY HA2 H 1 4.08 0.01 . 2 . . . . . . . . 4929 1 735 . 1 1 92 92 GLY C C 13 171.00 0.01 . 1 . . . . . . . . 4929 1 736 . 1 1 92 92 GLY CA C 13 46.42 0.01 . 1 . . . . . . . . 4929 1 737 . 1 1 92 92 GLY N N 15 106.32 0.01 . 1 . . . . . . . . 4929 1 738 . 1 1 93 93 SER H H 1 8.55 0.01 . 1 . . . . . . . . 4929 1 739 . 1 1 93 93 SER C C 13 174.15 0.01 . 1 . . . . . . . . 4929 1 740 . 1 1 93 93 SER CA C 13 56.45 0.01 . 1 . . . . . . . . 4929 1 741 . 1 1 93 93 SER CB C 13 68.44 0.01 . 1 . . . . . . . . 4929 1 742 . 1 1 93 93 SER N N 15 112.21 0.01 . 1 . . . . . . . . 4929 1 743 . 1 1 94 94 ARG H H 1 8.47 0.01 . 1 . . . . . . . . 4929 1 744 . 1 1 94 94 ARG HA H 1 4.75 0.01 . 1 . . . . . . . . 4929 1 745 . 1 1 94 94 ARG C C 13 173.83 0.01 . 1 . . . . . . . . 4929 1 746 . 1 1 94 94 ARG CA C 13 54.01 0.01 . 1 . . . . . . . . 4929 1 747 . 1 1 94 94 ARG CB C 13 34.68 0.01 . 1 . . . . . . . . 4929 1 748 . 1 1 94 94 ARG CD C 13 42.56 0.01 . 1 . . . . . . . . 4929 1 749 . 1 1 94 94 ARG N N 15 119.38 0.01 . 1 . . . . . . . . 4929 1 750 . 1 1 95 95 THR H H 1 8.66 0.01 . 1 . . . . . . . . 4929 1 751 . 1 1 95 95 THR HA H 1 3.72 0.01 . 1 . . . . . . . . 4929 1 752 . 1 1 95 95 THR HG21 H 1 1.05 0.01 . 1 . . . . . . . . 4929 1 753 . 1 1 95 95 THR HG22 H 1 1.05 0.01 . 1 . . . . . . . . 4929 1 754 . 1 1 95 95 THR HG23 H 1 1.05 0.01 . 1 . . . . . . . . 4929 1 755 . 1 1 95 95 THR C C 13 173.94 0.01 . 1 . . . . . . . . 4929 1 756 . 1 1 95 95 THR CA C 13 62.01 0.01 . 1 . . . . . . . . 4929 1 757 . 1 1 95 95 THR CB C 13 71.93 0.01 . 1 . . . . . . . . 4929 1 758 . 1 1 95 95 THR N N 15 119.71 0.01 . 1 . . . . . . . . 4929 1 759 . 1 1 96 96 VAL H H 1 9.03 0.01 . 1 . . . . . . . . 4929 1 760 . 1 1 96 96 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 4929 1 761 . 1 1 96 96 VAL HG11 H 1 0.96 0.01 . 2 . . . . . . . . 4929 1 762 . 1 1 96 96 VAL HG12 H 1 0.96 0.01 . 2 . . . . . . . . 4929 1 763 . 1 1 96 96 VAL HG13 H 1 0.96 0.01 . 2 . . . . . . . . 4929 1 764 . 1 1 96 96 VAL C C 13 172.99 0.01 . 1 . . . . . . . . 4929 1 765 . 1 1 96 96 VAL CA C 13 61.86 0.01 . 1 . . . . . . . . 4929 1 766 . 1 1 96 96 VAL CB C 13 35.74 0.01 . 1 . . . . . . . . 4929 1 767 . 1 1 96 96 VAL CG1 C 13 21.20 0.01 . 2 . . . . . . . . 4929 1 768 . 1 1 96 96 VAL N N 15 127.99 0.01 . 1 . . . . . . . . 4929 1 769 . 1 1 97 97 ARG H H 1 8.55 0.01 . 1 . . . . . . . . 4929 1 770 . 1 1 97 97 ARG HA H 1 5.18 0.01 . 1 . . . . . . . . 4929 1 771 . 1 1 97 97 ARG C C 13 174.35 0.01 . 1 . . . . . . . . 4929 1 772 . 1 1 97 97 ARG CA C 13 54.76 0.01 . 1 . . . . . . . . 4929 1 773 . 1 1 97 97 ARG CB C 13 31.41 0.01 . 1 . . . . . . . . 4929 1 774 . 1 1 97 97 ARG N N 15 126.40 0.01 . 1 . . . . . . . . 4929 1 775 . 1 1 98 98 TRP H H 1 9.52 0.01 . 1 . . . . . . . . 4929 1 776 . 1 1 98 98 TRP HA H 1 4.72 0.01 . 1 . . . . . . . . 4929 1 777 . 1 1 98 98 TRP HB2 H 1 2.87 0.01 . 2 . . . . . . . . 4929 1 778 . 1 1 98 98 TRP HB3 H 1 3.20 0.01 . 2 . . . . . . . . 4929 1 779 . 1 1 98 98 TRP C C 13 174.35 0.01 . 1 . . . . . . . . 4929 1 780 . 1 1 98 98 TRP CA C 13 56.67 0.01 . 1 . . . . . . . . 4929 1 781 . 1 1 98 98 TRP CB C 13 35.75 0.01 . 1 . . . . . . . . 4929 1 782 . 1 1 98 98 TRP N N 15 130.27 0.01 . 1 . . . . . . . . 4929 1 783 . 1 1 99 99 GLU H H 1 7.88 0.01 . 1 . . . . . . . . 4929 1 784 . 1 1 99 99 GLU HA H 1 5.09 0.01 . 1 . . . . . . . . 4929 1 785 . 1 1 99 99 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4929 1 786 . 1 1 99 99 GLU C C 13 173.59 0.01 . 1 . . . . . . . . 4929 1 787 . 1 1 99 99 GLU CA C 13 55.58 0.01 . 1 . . . . . . . . 4929 1 788 . 1 1 99 99 GLU CB C 13 34.27 0.01 . 1 . . . . . . . . 4929 1 789 . 1 1 99 99 GLU CG C 13 35.27 0.01 . 1 . . . . . . . . 4929 1 790 . 1 1 99 99 GLU N N 15 124.10 0.01 . 1 . . . . . . . . 4929 1 791 . 1 1 100 100 ASN H H 1 8.44 0.01 . 1 . . . . . . . . 4929 1 792 . 1 1 100 100 ASN HA H 1 4.40 0.01 . 1 . . . . . . . . 4929 1 793 . 1 1 100 100 ASN C C 13 176.04 0.01 . 1 . . . . . . . . 4929 1 794 . 1 1 100 100 ASN CA C 13 50.93 0.01 . 1 . . . . . . . . 4929 1 795 . 1 1 100 100 ASN CB C 13 39.09 0.01 . 1 . . . . . . . . 4929 1 796 . 1 1 100 100 ASN N N 15 121.07 0.01 . 1 . . . . . . . . 4929 1 797 . 1 1 101 101 LYS H H 1 8.14 0.01 . 1 . . . . . . . . 4929 1 798 . 1 1 101 101 LYS HA H 1 4.01 0.01 . 1 . . . . . . . . 4929 1 799 . 1 1 101 101 LYS HB2 H 1 1.83 0.01 . 2 . . . . . . . . 4929 1 800 . 1 1 101 101 LYS HG2 H 1 1.51 0.01 . 2 . . . . . . . . 4929 1 801 . 1 1 101 101 LYS HD2 H 1 1.72 0.01 . 2 . . . . . . . . 4929 1 802 . 1 1 101 101 LYS HE2 H 1 2.99 0.01 . 2 . . . . . . . . 4929 1 803 . 1 1 101 101 LYS C C 13 176.84 0.01 . 1 . . . . . . . . 4929 1 804 . 1 1 101 101 LYS CA C 13 59.72 0.01 . 1 . . . . . . . . 4929 1 805 . 1 1 101 101 LYS CB C 13 32.53 0.01 . 1 . . . . . . . . 4929 1 806 . 1 1 101 101 LYS CG C 13 24.88 0.01 . 1 . . . . . . . . 4929 1 807 . 1 1 101 101 LYS CD C 13 29.13 0.01 . 1 . . . . . . . . 4929 1 808 . 1 1 101 101 LYS CE C 13 42.10 0.01 . 1 . . . . . . . . 4929 1 809 . 1 1 101 101 LYS N N 15 115.88 0.01 . 1 . . . . . . . . 4929 1 810 . 1 1 102 102 SER H H 1 8.11 0.01 . 1 . . . . . . . . 4929 1 811 . 1 1 102 102 SER HA H 1 4.87 0.01 . 1 . . . . . . . . 4929 1 812 . 1 1 102 102 SER HB2 H 1 4.05 0.01 . 2 . . . . . . . . 4929 1 813 . 1 1 102 102 SER HB3 H 1 4.32 0.01 . 2 . . . . . . . . 4929 1 814 . 1 1 102 102 SER C C 13 175.32 0.01 . 1 . . . . . . . . 4929 1 815 . 1 1 102 102 SER CA C 13 58.59 0.01 . 1 . . . . . . . . 4929 1 816 . 1 1 102 102 SER CB C 13 66.57 0.01 . 1 . . . . . . . . 4929 1 817 . 1 1 102 102 SER N N 15 108.85 0.01 . 1 . . . . . . . . 4929 1 818 . 1 1 103 103 MET H H 1 8.32 0.01 . 1 . . . . . . . . 4929 1 819 . 1 1 103 103 MET HA H 1 4.24 0.01 . 1 . . . . . . . . 4929 1 820 . 1 1 103 103 MET C C 13 172.24 0.01 . 1 . . . . . . . . 4929 1 821 . 1 1 103 103 MET CA C 13 55.99 0.01 . 1 . . . . . . . . 4929 1 822 . 1 1 103 103 MET CB C 13 37.76 0.01 . 1 . . . . . . . . 4929 1 823 . 1 1 103 103 MET CG C 13 37.57 0.01 . 1 . . . . . . . . 4929 1 824 . 1 1 103 103 MET N N 15 120.25 0.01 . 1 . . . . . . . . 4929 1 825 . 1 1 104 104 TYR H H 1 9.06 0.01 . 1 . . . . . . . . 4929 1 826 . 1 1 104 104 TYR HA H 1 5.51 0.01 . 1 . . . . . . . . 4929 1 827 . 1 1 104 104 TYR C C 13 176.21 0.01 . 1 . . . . . . . . 4929 1 828 . 1 1 104 104 TYR CA C 13 56.13 0.01 . 1 . . . . . . . . 4929 1 829 . 1 1 104 104 TYR CB C 13 37.06 0.01 . 1 . . . . . . . . 4929 1 830 . 1 1 104 104 TYR N N 15 116.25 0.01 . 1 . . . . . . . . 4929 1 831 . 1 1 105 105 CYS H H 1 8.37 0.01 . 1 . . . . . . . . 4929 1 832 . 1 1 105 105 CYS HA H 1 4.26 0.01 . 1 . . . . . . . . 4929 1 833 . 1 1 105 105 CYS C C 13 173.28 0.01 . 1 . . . . . . . . 4929 1 834 . 1 1 105 105 CYS CA C 13 56.28 0.01 . 1 . . . . . . . . 4929 1 835 . 1 1 105 105 CYS CB C 13 30.73 0.01 . 1 . . . . . . . . 4929 1 836 . 1 1 105 105 CYS N N 15 122.88 0.01 . 1 . . . . . . . . 4929 1 837 . 1 1 106 106 ILE H H 1 9.03 0.01 . 1 . . . . . . . . 4929 1 838 . 1 1 106 106 ILE HA H 1 4.29 0.01 . 1 . . . . . . . . 4929 1 839 . 1 1 106 106 ILE HD11 H 1 0.84 0.01 . 1 . . . . . . . . 4929 1 840 . 1 1 106 106 ILE HD12 H 1 0.84 0.01 . 1 . . . . . . . . 4929 1 841 . 1 1 106 106 ILE HD13 H 1 0.84 0.01 . 1 . . . . . . . . 4929 1 842 . 1 1 106 106 ILE C C 13 175.79 0.01 . 1 . . . . . . . . 4929 1 843 . 1 1 106 106 ILE CA C 13 60.37 0.01 . 1 . . . . . . . . 4929 1 844 . 1 1 106 106 ILE CB C 13 41.18 0.01 . 1 . . . . . . . . 4929 1 845 . 1 1 106 106 ILE CG1 C 13 27.63 0.01 . 2 . . . . . . . . 4929 1 846 . 1 1 106 106 ILE CD1 C 13 18.04 0.01 . 1 . . . . . . . . 4929 1 847 . 1 1 106 106 ILE N N 15 127.50 0.01 . 1 . . . . . . . . 4929 1 848 . 1 1 107 107 CYS H H 1 8.89 0.01 . 1 . . . . . . . . 4929 1 849 . 1 1 107 107 CYS HA H 1 5.64 0.01 . 1 . . . . . . . . 4929 1 850 . 1 1 107 107 CYS C C 13 172.58 0.01 . 1 . . . . . . . . 4929 1 851 . 1 1 107 107 CYS CA C 13 56.68 0.01 . 1 . . . . . . . . 4929 1 852 . 1 1 107 107 CYS CB C 13 30.22 0.01 . 1 . . . . . . . . 4929 1 853 . 1 1 107 107 CYS N N 15 129.79 0.01 . 1 . . . . . . . . 4929 1 854 . 1 1 108 108 THR H H 1 8.52 0.01 . 1 . . . . . . . . 4929 1 855 . 1 1 108 108 THR HA H 1 5.29 0.01 . 1 . . . . . . . . 4929 1 856 . 1 1 108 108 THR C C 13 172.32 0.01 . 1 . . . . . . . . 4929 1 857 . 1 1 108 108 THR CA C 13 61.28 0.01 . 1 . . . . . . . . 4929 1 858 . 1 1 108 108 THR CB C 13 71.40 0.01 . 1 . . . . . . . . 4929 1 859 . 1 1 108 108 THR CG2 C 13 21.96 0.01 . 1 . . . . . . . . 4929 1 860 . 1 1 108 108 THR N N 15 124.81 0.01 . 1 . . . . . . . . 4929 1 861 . 1 1 109 109 VAL H H 1 8.49 0.01 . 1 . . . . . . . . 4929 1 862 . 1 1 109 109 VAL HA H 1 4.58 0.01 . 1 . . . . . . . . 4929 1 863 . 1 1 109 109 VAL HB H 1 1.67 0.01 . 1 . . . . . . . . 4929 1 864 . 1 1 109 109 VAL HG11 H 1 0.75 0.01 . 2 . . . . . . . . 4929 1 865 . 1 1 109 109 VAL HG12 H 1 0.75 0.01 . 2 . . . . . . . . 4929 1 866 . 1 1 109 109 VAL HG13 H 1 0.75 0.01 . 2 . . . . . . . . 4929 1 867 . 1 1 109 109 VAL C C 13 174.15 0.01 . 1 . . . . . . . . 4929 1 868 . 1 1 109 109 VAL CA C 13 60.85 0.01 . 1 . . . . . . . . 4929 1 869 . 1 1 109 109 VAL CB C 13 35.28 0.01 . 1 . . . . . . . . 4929 1 870 . 1 1 109 109 VAL CG1 C 13 23.57 0.01 . 2 . . . . . . . . 4929 1 871 . 1 1 109 109 VAL N N 15 122.72 0.01 . 1 . . . . . . . . 4929 1 872 . 1 1 110 110 PHE H H 1 9.80 0.01 . 1 . . . . . . . . 4929 1 873 . 1 1 110 110 PHE HA H 1 4.97 0.01 . 1 . . . . . . . . 4929 1 874 . 1 1 110 110 PHE C C 13 174.74 0.01 . 1 . . . . . . . . 4929 1 875 . 1 1 110 110 PHE CA C 13 56.67 0.01 . 1 . . . . . . . . 4929 1 876 . 1 1 110 110 PHE CB C 13 40.37 0.01 . 1 . . . . . . . . 4929 1 877 . 1 1 110 110 PHE N N 15 126.66 0.01 . 1 . . . . . . . . 4929 1 878 . 1 1 111 111 GLY H H 1 9.50 0.01 . 1 . . . . . . . . 4929 1 879 . 1 1 111 111 GLY HA2 H 1 4.11 0.01 . 2 . . . . . . . . 4929 1 880 . 1 1 111 111 GLY C C 13 171.17 0.01 . 1 . . . . . . . . 4929 1 881 . 1 1 111 111 GLY CA C 13 45.19 0.01 . 1 . . . . . . . . 4929 1 882 . 1 1 111 111 GLY N N 15 111.53 0.01 . 1 . . . . . . . . 4929 1 883 . 1 1 112 112 LEU H H 1 8.96 0.01 . 1 . . . . . . . . 4929 1 884 . 1 1 112 112 LEU HA H 1 5.17 0.01 . 1 . . . . . . . . 4929 1 885 . 1 1 112 112 LEU C C 13 174.39 0.01 . 1 . . . . . . . . 4929 1 886 . 1 1 112 112 LEU CA C 13 53.95 0.01 . 1 . . . . . . . . 4929 1 887 . 1 1 112 112 LEU CB C 13 42.99 0.01 . 1 . . . . . . . . 4929 1 888 . 1 1 112 112 LEU CD1 C 13 28.36 0.01 . 2 . . . . . . . . 4929 1 889 . 1 1 112 112 LEU N N 15 125.91 0.01 . 1 . . . . . . . . 4929 1 890 . 1 1 113 113 ALA H H 1 9.10 0.01 . 1 . . . . . . . . 4929 1 891 . 1 1 113 113 ALA HA H 1 4.35 0.01 . 1 . . . . . . . . 4929 1 892 . 1 1 113 113 ALA HB1 H 1 1.08 0.01 . 1 . . . . . . . . 4929 1 893 . 1 1 113 113 ALA HB2 H 1 1.08 0.01 . 1 . . . . . . . . 4929 1 894 . 1 1 113 113 ALA HB3 H 1 1.08 0.01 . 1 . . . . . . . . 4929 1 895 . 1 1 113 113 ALA C C 13 177.64 0.01 . 1 . . . . . . . . 4929 1 896 . 1 1 113 113 ALA CA C 13 52.99 0.01 . 1 . . . . . . . . 4929 1 897 . 1 1 113 113 ALA CB C 13 18.39 0.01 . 1 . . . . . . . . 4929 1 898 . 1 1 113 113 ALA N N 15 128.52 0.01 . 1 . . . . . . . . 4929 1 899 . 1 1 114 114 ILE H H 1 7.27 0.01 . 1 . . . . . . . . 4929 1 900 . 1 1 114 114 ILE HA H 1 3.90 0.01 . 1 . . . . . . . . 4929 1 901 . 1 1 114 114 ILE C C 13 181.19 0.01 . 1 . . . . . . . . 4929 1 902 . 1 1 114 114 ILE CA C 13 63.66 0.01 . 1 . . . . . . . . 4929 1 903 . 1 1 114 114 ILE CB C 13 39.06 0.01 . 1 . . . . . . . . 4929 1 904 . 1 1 114 114 ILE N N 15 124.34 0.01 . 1 . . . . . . . . 4929 1 stop_ save_