data_4670 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4670 _Entry.Title ; Sequence-specific 1H,13C and 15N chemical shift backbone NMR assignment and secondary structure of the Arabidopsis thaliana PIN1At ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-16 _Entry.Accession_date 2000-03-16 _Entry.Last_release_date . _Entry.Original_release_date . _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 Isabelle Landrieu . . . 4670 2 Jean-Michel Wieruszeski . . . 4670 3 Benoit Odaert . . . 4670 4 Dirk Inze . . . 4670 5 Guy Lippens . . . 4670 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4670 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 4670 '15N chemical shifts' 103 4670 '1H chemical shifts' 648 4670 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 . . 2000-04-12 . update authors 'updated chemical shift table' 4670 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4670 _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: Sequence-specific 1H, 13C and 15N chemical shift backbone NMR assignment and secondary structure of the Arabidopsis thaliana PIN1At protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 17 _Citation.Journal_issue 3 _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 271 _Citation.Page_last 272 _Citation.Year 2000 _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 Isabelle Landrieu . . . 4670 1 2 Jean-Michel Wieruszeski . . . 4670 1 3 Benoit Odaert . . . 4670 1 4 Dirk Inze . . . 4670 1 5 Stephan Grzesiek . . . 4670 1 6 Guy Lippens . . . 4670 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PIN1At _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PIN1At _Assembly.Entry_ID 4670 _Assembly.ID 1 _Assembly.Name PIN1At _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 monomer 4670 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 PIN1At 1 $PIN1At . . . native . . . . . 4670 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID PIN1At abbreviation 4670 1 PIN1At system 4670 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Prolyl cis/trans isomerase' 4670 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PIN1At _Entity.Sf_category entity _Entity.Sf_framecode PIN1At _Entity.Entry_ID 4670 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Arabidopsis thaliana prolyl cis/trans isomerase' _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 ; HMASRDQVKASHILIKHQGS RRKASWKDPEGKIILTTTRE AAVEQLKSIREDIVSGKANF EEVATRVSDCSSAKRGGDLG SFGRGQMQKPFEEATYALKV GDISDIVDTDSGVHIIKRTA ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1J6Y . "Solution Structure Of Pin1at From Arabidopsis Thaliana" . . . . . 100.00 139 100.00 100.00 8.82e-80 . . . . 4670 1 2 no DBJ BAJ34365 . "unnamed protein product [Thellungiella halophila]" . . . . . 99.17 119 97.48 99.16 1.77e-77 . . . . 4670 1 3 no GB AAD20122 . "putative peptidyl-prolyl cis-trans isomerase [Arabidopsis thaliana]" . . . . . 99.17 119 100.00 100.00 3.64e-79 . . . . 4670 1 4 no GB AAK26028 . "putative peptidyl-prolyl cis-trans isomerase [Arabidopsis thaliana]" . . . . . 99.17 119 100.00 100.00 3.64e-79 . . . . 4670 1 5 no GB AAL07163 . "putative peptidyl-prolyl cis-trans isomerase [Arabidopsis thaliana]" . . . . . 99.17 119 100.00 100.00 3.64e-79 . . . . 4670 1 6 no GB AAL09755 . "At2g18040/T27K22.9 [Arabidopsis thaliana]" . . . . . 99.17 119 100.00 100.00 3.64e-79 . . . . 4670 1 7 no GB AAM61615 . "putative peptidyl-prolyl cis-trans isomerase [Arabidopsis thaliana]" . . . . . 99.17 119 100.00 100.00 3.64e-79 . . . . 4670 1 8 no REF NP_179395 . "peptidyl-prolyl cis-trans isomerase Pin1 [Arabidopsis thaliana]" . . . . . 99.17 119 100.00 100.00 3.64e-79 . . . . 4670 1 9 no REF XP_002884105 . "PIN1AT [Arabidopsis lyrata subsp. lyrata]" . . . . . 99.17 119 99.16 99.16 2.40e-78 . . . . 4670 1 10 no REF XP_006409205 . "hypothetical protein EUTSA_v10022913mg [Eutrema salsugineum]" . . . . . 99.17 119 97.48 99.16 1.77e-77 . . . . 4670 1 11 no SP Q9SL42 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase Pin1; Short=PPIase Pin1; AltName: Full=PIN1At; AltName: Full=Rotamase Pin1" . . . . . 99.17 119 100.00 100.00 3.64e-79 . . . . 4670 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Arabidopsis thaliana prolyl cis/trans isomerase' common 4670 1 'A. thaliana PPIase' abbreviation 4670 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 . HIS . 4670 1 2 . MET . 4670 1 3 . ALA . 4670 1 4 . SER . 4670 1 5 . ARG . 4670 1 6 . ASP . 4670 1 7 . GLN . 4670 1 8 . VAL . 4670 1 9 . LYS . 4670 1 10 . ALA . 4670 1 11 . SER . 4670 1 12 . HIS . 4670 1 13 . ILE . 4670 1 14 . LEU . 4670 1 15 . ILE . 4670 1 16 . LYS . 4670 1 17 . HIS . 4670 1 18 . GLN . 4670 1 19 . GLY . 4670 1 20 . SER . 4670 1 21 . ARG . 4670 1 22 . ARG . 4670 1 23 . LYS . 4670 1 24 . ALA . 4670 1 25 . SER . 4670 1 26 . TRP . 4670 1 27 . LYS . 4670 1 28 . ASP . 4670 1 29 . PRO . 4670 1 30 . GLU . 4670 1 31 . GLY . 4670 1 32 . LYS . 4670 1 33 . ILE . 4670 1 34 . ILE . 4670 1 35 . LEU . 4670 1 36 . THR . 4670 1 37 . THR . 4670 1 38 . THR . 4670 1 39 . ARG . 4670 1 40 . GLU . 4670 1 41 . ALA . 4670 1 42 . ALA . 4670 1 43 . VAL . 4670 1 44 . GLU . 4670 1 45 . GLN . 4670 1 46 . LEU . 4670 1 47 . LYS . 4670 1 48 . SER . 4670 1 49 . ILE . 4670 1 50 . ARG . 4670 1 51 . GLU . 4670 1 52 . ASP . 4670 1 53 . ILE . 4670 1 54 . VAL . 4670 1 55 . SER . 4670 1 56 . GLY . 4670 1 57 . LYS . 4670 1 58 . ALA . 4670 1 59 . ASN . 4670 1 60 . PHE . 4670 1 61 . GLU . 4670 1 62 . GLU . 4670 1 63 . VAL . 4670 1 64 . ALA . 4670 1 65 . THR . 4670 1 66 . ARG . 4670 1 67 . VAL . 4670 1 68 . SER . 4670 1 69 . ASP . 4670 1 70 . CYS . 4670 1 71 . SER . 4670 1 72 . SER . 4670 1 73 . ALA . 4670 1 74 . LYS . 4670 1 75 . ARG . 4670 1 76 . GLY . 4670 1 77 . GLY . 4670 1 78 . ASP . 4670 1 79 . LEU . 4670 1 80 . GLY . 4670 1 81 . SER . 4670 1 82 . PHE . 4670 1 83 . GLY . 4670 1 84 . ARG . 4670 1 85 . GLY . 4670 1 86 . GLN . 4670 1 87 . MET . 4670 1 88 . GLN . 4670 1 89 . LYS . 4670 1 90 . PRO . 4670 1 91 . PHE . 4670 1 92 . GLU . 4670 1 93 . GLU . 4670 1 94 . ALA . 4670 1 95 . THR . 4670 1 96 . TYR . 4670 1 97 . ALA . 4670 1 98 . LEU . 4670 1 99 . LYS . 4670 1 100 . VAL . 4670 1 101 . GLY . 4670 1 102 . ASP . 4670 1 103 . ILE . 4670 1 104 . SER . 4670 1 105 . ASP . 4670 1 106 . ILE . 4670 1 107 . VAL . 4670 1 108 . ASP . 4670 1 109 . THR . 4670 1 110 . ASP . 4670 1 111 . SER . 4670 1 112 . GLY . 4670 1 113 . VAL . 4670 1 114 . HIS . 4670 1 115 . ILE . 4670 1 116 . ILE . 4670 1 117 . LYS . 4670 1 118 . ARG . 4670 1 119 . THR . 4670 1 120 . ALA . 4670 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 . HIS 1 1 4670 1 . MET 2 2 4670 1 . ALA 3 3 4670 1 . SER 4 4 4670 1 . ARG 5 5 4670 1 . ASP 6 6 4670 1 . GLN 7 7 4670 1 . VAL 8 8 4670 1 . LYS 9 9 4670 1 . ALA 10 10 4670 1 . SER 11 11 4670 1 . HIS 12 12 4670 1 . ILE 13 13 4670 1 . LEU 14 14 4670 1 . ILE 15 15 4670 1 . LYS 16 16 4670 1 . HIS 17 17 4670 1 . GLN 18 18 4670 1 . GLY 19 19 4670 1 . SER 20 20 4670 1 . ARG 21 21 4670 1 . ARG 22 22 4670 1 . LYS 23 23 4670 1 . ALA 24 24 4670 1 . SER 25 25 4670 1 . TRP 26 26 4670 1 . LYS 27 27 4670 1 . ASP 28 28 4670 1 . PRO 29 29 4670 1 . GLU 30 30 4670 1 . GLY 31 31 4670 1 . LYS 32 32 4670 1 . ILE 33 33 4670 1 . ILE 34 34 4670 1 . LEU 35 35 4670 1 . THR 36 36 4670 1 . THR 37 37 4670 1 . THR 38 38 4670 1 . ARG 39 39 4670 1 . GLU 40 40 4670 1 . ALA 41 41 4670 1 . ALA 42 42 4670 1 . VAL 43 43 4670 1 . GLU 44 44 4670 1 . GLN 45 45 4670 1 . LEU 46 46 4670 1 . LYS 47 47 4670 1 . SER 48 48 4670 1 . ILE 49 49 4670 1 . ARG 50 50 4670 1 . GLU 51 51 4670 1 . ASP 52 52 4670 1 . ILE 53 53 4670 1 . VAL 54 54 4670 1 . SER 55 55 4670 1 . GLY 56 56 4670 1 . LYS 57 57 4670 1 . ALA 58 58 4670 1 . ASN 59 59 4670 1 . PHE 60 60 4670 1 . GLU 61 61 4670 1 . GLU 62 62 4670 1 . VAL 63 63 4670 1 . ALA 64 64 4670 1 . THR 65 65 4670 1 . ARG 66 66 4670 1 . VAL 67 67 4670 1 . SER 68 68 4670 1 . ASP 69 69 4670 1 . CYS 70 70 4670 1 . SER 71 71 4670 1 . SER 72 72 4670 1 . ALA 73 73 4670 1 . LYS 74 74 4670 1 . ARG 75 75 4670 1 . GLY 76 76 4670 1 . GLY 77 77 4670 1 . ASP 78 78 4670 1 . LEU 79 79 4670 1 . GLY 80 80 4670 1 . SER 81 81 4670 1 . PHE 82 82 4670 1 . GLY 83 83 4670 1 . ARG 84 84 4670 1 . GLY 85 85 4670 1 . GLN 86 86 4670 1 . MET 87 87 4670 1 . GLN 88 88 4670 1 . LYS 89 89 4670 1 . PRO 90 90 4670 1 . PHE 91 91 4670 1 . GLU 92 92 4670 1 . GLU 93 93 4670 1 . ALA 94 94 4670 1 . THR 95 95 4670 1 . TYR 96 96 4670 1 . ALA 97 97 4670 1 . LEU 98 98 4670 1 . LYS 99 99 4670 1 . VAL 100 100 4670 1 . GLY 101 101 4670 1 . ASP 102 102 4670 1 . ILE 103 103 4670 1 . SER 104 104 4670 1 . ASP 105 105 4670 1 . ILE 106 106 4670 1 . VAL 107 107 4670 1 . ASP 108 108 4670 1 . THR 109 109 4670 1 . ASP 110 110 4670 1 . SER 111 111 4670 1 . GLY 112 112 4670 1 . VAL 113 113 4670 1 . HIS 114 114 4670 1 . ILE 115 115 4670 1 . ILE 116 116 4670 1 . LYS 117 117 4670 1 . ARG 118 118 4670 1 . THR 119 119 4670 1 . ALA 120 120 4670 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 4670 _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 $PIN1At . 3702 organism . 'Arabidopsis thaliana' 'Arabidopsis thaliana' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 4670 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 4670 _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 $PIN1At . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4670 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4670 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Arabidopsis thaliana prolyl cis/trans isomerase' '[U-98% 15N]' . . 1 $PIN1At . . . 0.5 0.9 mM . . . . 4670 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4670 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Arabidopsis thaliana prolyl cis/trans isomerase' '[U-98% 13C]' . . 1 $PIN1At . . . 0.5 0.9 mM . . . . 4670 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4670 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Arabidopsis thaliana prolyl cis/trans isomerase' '[U-98% 15N; U-13C]' . . 1 $PIN1At . . . 0.5 0.9 mM . . . . 4670 3 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 4670 _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 6.3 0.1 pH 4670 1 temperature 293 0.2 K 4670 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4670 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4670 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4670 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 4670 _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 . . . . . . . . . . . . . . . . . 1 $Cond_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4670 1 stop_ 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 4670 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect . . . . 1 $entry_citation . . 1 $entry_citation 4670 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4670 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect . . . . 1 $entry_citation . . 1 $entry_citation 4670 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4670 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_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 $sample_1 . 4670 1 . . 2 $sample_2 . 4670 1 . . 3 $sample_3 . 4670 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 HIS HA H 1 3.96 . . . . . . . . . . . 4670 1 2 . 1 1 1 1 HIS HB2 H 1 3.28 . . . . . . . . . . . 4670 1 3 . 1 1 1 1 HIS HB3 H 1 2.37 . . . . . . . . . . . 4670 1 4 . 1 1 1 1 HIS C C 13 175.8 . . . . . . . . . . . 4670 1 5 . 1 1 1 1 HIS CA C 13 55.70 . . . . . . . . . . . 4670 1 6 . 1 1 1 1 HIS CB C 13 25.40 . . . . . . . . . . . 4670 1 7 . 1 1 2 2 MET H H 1 8.66 . . . . . . . . . . . 4670 1 8 . 1 1 2 2 MET HA H 1 4.49 . . . . . . . . . . . 4670 1 9 . 1 1 2 2 MET HB2 H 1 2.52 . . . . . . . . . . . 4670 1 10 . 1 1 2 2 MET HB3 H 1 2.05 . . . . . . . . . . . 4670 1 11 . 1 1 2 2 MET HG2 H 1 2.21 . . . . . . . . . . . 4670 1 12 . 1 1 2 2 MET HG3 H 1 2.30 . . . . . . . . . . . 4670 1 13 . 1 1 2 2 MET HE1 H 1 1.40 . . . . . . . . . . . 4670 1 14 . 1 1 2 2 MET HE2 H 1 1.40 . . . . . . . . . . . 4670 1 15 . 1 1 2 2 MET HE3 H 1 1.40 . . . . . . . . . . . 4670 1 16 . 1 1 2 2 MET C C 13 176.0 . . . . . . . . . . . 4670 1 17 . 1 1 2 2 MET CA C 13 55.64 . . . . . . . . . . . 4670 1 18 . 1 1 2 2 MET CB C 13 32.88 . . . . . . . . . . . 4670 1 19 . 1 1 2 2 MET N N 15 121.6 . . . . . . . . . . . 4670 1 20 . 1 1 3 3 ALA H H 1 8.60 . . . . . . . . . . . 4670 1 21 . 1 1 3 3 ALA HA H 1 4.34 . . . . . . . . . . . 4670 1 22 . 1 1 3 3 ALA HB1 H 1 1.42 . . . . . . . . . . . 4670 1 23 . 1 1 3 3 ALA HB2 H 1 1.42 . . . . . . . . . . . 4670 1 24 . 1 1 3 3 ALA HB3 H 1 1.42 . . . . . . . . . . . 4670 1 25 . 1 1 3 3 ALA C C 13 178.7 . . . . . . . . . . . 4670 1 26 . 1 1 3 3 ALA CA C 13 52.56 . . . . . . . . . . . 4670 1 27 . 1 1 3 3 ALA CB C 13 19.19 . . . . . . . . . . . 4670 1 28 . 1 1 3 3 ALA N N 15 125.5 . . . . . . . . . . . 4670 1 29 . 1 1 4 4 SER HA H 1 4.42 . . . . . . . . . . . 4670 1 30 . 1 1 4 4 SER HB2 H 1 3.85 . . . . . . . . . . . 4670 1 31 . 1 1 4 4 SER C C 13 174.2 . . . . . . . . . . . 4670 1 32 . 1 1 4 4 SER CA C 13 58.51 . . . . . . . . . . . 4670 1 33 . 1 1 4 4 SER CB C 13 63.80 . . . . . . . . . . . 4670 1 34 . 1 1 4 4 SER N N 15 114.8 . . . . . . . . . . . 4670 1 35 . 1 1 5 5 ARG H H 1 8.50 . . . . . . . . . . . 4670 1 36 . 1 1 5 5 ARG HA H 1 4.40 . . . . . . . . . . . 4670 1 37 . 1 1 5 5 ARG HB2 H 1 1.97 . . . . . . . . . . . 4670 1 38 . 1 1 5 5 ARG HB3 H 1 1.82 . . . . . . . . . . . 4670 1 39 . 1 1 5 5 ARG HG2 H 1 1.62 . . . . . . . . . . . 4670 1 40 . 1 1 5 5 ARG HG3 H 1 1.42 . . . . . . . . . . . 4670 1 41 . 1 1 5 5 ARG HD2 H 1 3.20 . . . . . . . . . . . 4670 1 42 . 1 1 5 5 ARG C C 13 175.9 . . . . . . . . . . . 4670 1 43 . 1 1 5 5 ARG CA C 13 56.28 . . . . . . . . . . . 4670 1 44 . 1 1 5 5 ARG CB C 13 30.87 . . . . . . . . . . . 4670 1 45 . 1 1 5 5 ARG CG C 13 27.11 . . . . . . . . . . . 4670 1 46 . 1 1 5 5 ARG CD C 13 43.4 . . . . . . . . . . . 4670 1 47 . 1 1 5 5 ARG N N 15 122.0 . . . . . . . . . . . 4670 1 48 . 1 1 6 6 ASP H H 1 8.46 . . . . . . . . . . . 4670 1 49 . 1 1 6 6 ASP HA H 1 4.67 . . . . . . . . . . . 4670 1 50 . 1 1 6 6 ASP HB2 H 1 2.87 . . . . . . . . . . . 4670 1 51 . 1 1 6 6 ASP HB3 H 1 2.68 . . . . . . . . . . . 4670 1 52 . 1 1 6 6 ASP C C 13 175.6 . . . . . . . . . . . 4670 1 53 . 1 1 6 6 ASP CA C 13 54.61 . . . . . . . . . . . 4670 1 54 . 1 1 6 6 ASP CB C 13 40.85 . . . . . . . . . . . 4670 1 55 . 1 1 6 6 ASP N N 15 119.9 . . . . . . . . . . . 4670 1 56 . 1 1 7 7 GLN H H 1 8.13 . . . . . . . . . . . 4670 1 57 . 1 1 7 7 GLN HA H 1 4.63 . . . . . . . . . . . 4670 1 58 . 1 1 7 7 GLN HB2 H 1 1.91 . . . . . . . . . . . 4670 1 59 . 1 1 7 7 GLN HB3 H 1 1.83 . . . . . . . . . . . 4670 1 60 . 1 1 7 7 GLN HG2 H 1 2.33 . . . . . . . . . . . 4670 1 61 . 1 1 7 7 GLN HG3 H 1 2.07 . . . . . . . . . . . 4670 1 62 . 1 1 7 7 GLN C C 13 174.9 . . . . . . . . . . . 4670 1 63 . 1 1 7 7 GLN CA C 13 55.71 . . . . . . . . . . . 4670 1 64 . 1 1 7 7 GLN CB C 13 31.36 . . . . . . . . . . . 4670 1 65 . 1 1 7 7 GLN CG C 13 34.25 . . . . . . . . . . . 4670 1 66 . 1 1 7 7 GLN N N 15 119.7 . . . . . . . . . . . 4670 1 67 . 1 1 8 8 VAL H H 1 8.47 . . . . . . . . . . . 4670 1 68 . 1 1 8 8 VAL HA H 1 4.26 . . . . . . . . . . . 4670 1 69 . 1 1 8 8 VAL HB H 1 1.47 . . . . . . . . . . . 4670 1 70 . 1 1 8 8 VAL HG11 H 1 0.05 . . . . . . . . . . . 4670 1 71 . 1 1 8 8 VAL HG12 H 1 0.05 . . . . . . . . . . . 4670 1 72 . 1 1 8 8 VAL HG13 H 1 0.05 . . . . . . . . . . . 4670 1 73 . 1 1 8 8 VAL C C 13 170.5 . . . . . . . . . . . 4670 1 74 . 1 1 8 8 VAL CA C 13 59.24 . . . . . . . . . . . 4670 1 75 . 1 1 8 8 VAL CB C 13 35.11 . . . . . . . . . . . 4670 1 76 . 1 1 8 8 VAL CG1 C 13 20.6 . . . . . . . . . . . 4670 1 77 . 1 1 8 8 VAL CG2 C 13 17.65 . . . . . . . . . . . 4670 1 78 . 1 1 8 8 VAL N N 15 115.6 . . . . . . . . . . . 4670 1 79 . 1 1 9 9 LYS H H 1 7.66 . . . . . . . . . . . 4670 1 80 . 1 1 9 9 LYS HA H 1 4.75 . . . . . . . . . . . 4670 1 81 . 1 1 9 9 LYS HB2 H 1 1.60 . . . . . . . . . . . 4670 1 82 . 1 1 9 9 LYS HB3 H 1 1.58 . . . . . . . . . . . 4670 1 83 . 1 1 9 9 LYS HG2 H 1 1.35 . . . . . . . . . . . 4670 1 84 . 1 1 9 9 LYS HG3 H 1 1.10 . . . . . . . . . . . 4670 1 85 . 1 1 9 9 LYS HD2 H 1 1.30 . . . . . . . . . . . 4670 1 86 . 1 1 9 9 LYS HD3 H 1 1.46 . . . . . . . . . . . 4670 1 87 . 1 1 9 9 LYS HE2 H 1 2.85 . . . . . . . . . . . 4670 1 88 . 1 1 9 9 LYS C C 13 174.5 . . . . . . . . . . . 4670 1 89 . 1 1 9 9 LYS CA C 13 55.51 . . . . . . . . . . . 4670 1 90 . 1 1 9 9 LYS CB C 13 37.16 . . . . . . . . . . . 4670 1 91 . 1 1 9 9 LYS CG C 13 24.91 . . . . . . . . . . . 4670 1 92 . 1 1 9 9 LYS CD C 13 29.8 . . . . . . . . . . . 4670 1 93 . 1 1 9 9 LYS CE C 13 41.67 . . . . . . . . . . . 4670 1 94 . 1 1 9 9 LYS N N 15 118.5 . . . . . . . . . . . 4670 1 95 . 1 1 10 10 ALA H H 1 7.41 . . . . . . . . . . . 4670 1 96 . 1 1 10 10 ALA HA H 1 5.39 . . . . . . . . . . . 4670 1 97 . 1 1 10 10 ALA HB1 H 1 1.52 . . . . . . . . . . . 4670 1 98 . 1 1 10 10 ALA HB2 H 1 1.52 . . . . . . . . . . . 4670 1 99 . 1 1 10 10 ALA HB3 H 1 1.52 . . . . . . . . . . . 4670 1 100 . 1 1 10 10 ALA C C 13 174.6 . . . . . . . . . . . 4670 1 101 . 1 1 10 10 ALA CA C 13 51.20 . . . . . . . . . . . 4670 1 102 . 1 1 10 10 ALA CB C 13 23.80 . . . . . . . . . . . 4670 1 103 . 1 1 10 10 ALA N N 15 121.7 . . . . . . . . . . . 4670 1 104 . 1 1 11 11 SER H H 1 9.03 . . . . . . . . . . . 4670 1 105 . 1 1 11 11 SER HA H 1 5.96 . . . . . . . . . . . 4670 1 106 . 1 1 11 11 SER HB2 H 1 3.94 . . . . . . . . . . . 4670 1 107 . 1 1 11 11 SER HB3 H 1 3.25 . . . . . . . . . . . 4670 1 108 . 1 1 11 11 SER C C 13 171.4 . . . . . . . . . . . 4670 1 109 . 1 1 11 11 SER CA C 13 55.77 . . . . . . . . . . . 4670 1 110 . 1 1 11 11 SER CB C 13 66.64 . . . . . . . . . . . 4670 1 111 . 1 1 11 11 SER N N 15 113.7 . . . . . . . . . . . 4670 1 112 . 1 1 12 12 HIS H H 1 9.75 . . . . . . . . . . . 4670 1 113 . 1 1 12 12 HIS HA H 1 6.22 . . . . . . . . . . . 4670 1 114 . 1 1 12 12 HIS HB2 H 1 3.72 . . . . . . . . . . . 4670 1 115 . 1 1 12 12 HIS HB3 H 1 3.39 . . . . . . . . . . . 4670 1 116 . 1 1 12 12 HIS HD2 H 1 6.98 . . . . . . . . . . . 4670 1 117 . 1 1 12 12 HIS HE1 H 1 8.00 . . . . . . . . . . . 4670 1 118 . 1 1 12 12 HIS C C 13 171.4 . . . . . . . . . . . 4670 1 119 . 1 1 12 12 HIS CA C 13 54.75 . . . . . . . . . . . 4670 1 120 . 1 1 12 12 HIS CB C 13 37.35 . . . . . . . . . . . 4670 1 121 . 1 1 12 12 HIS N N 15 119.5 . . . . . . . . . . . 4670 1 122 . 1 1 13 13 ILE H H 1 8.65 . . . . . . . . . . . 4670 1 123 . 1 1 13 13 ILE HA H 1 3.50 . . . . . . . . . . . 4670 1 124 . 1 1 13 13 ILE HB H 1 1.30 . . . . . . . . . . . 4670 1 125 . 1 1 13 13 ILE HG12 H 1 0.77 . . . . . . . . . . . 4670 1 126 . 1 1 13 13 ILE HG13 H 1 0.28 . . . . . . . . . . . 4670 1 127 . 1 1 13 13 ILE HG21 H 1 0.49 . . . . . . . . . . . 4670 1 128 . 1 1 13 13 ILE HG22 H 1 0.49 . . . . . . . . . . . 4670 1 129 . 1 1 13 13 ILE HG23 H 1 0.49 . . . . . . . . . . . 4670 1 130 . 1 1 13 13 ILE C C 13 170.0 . . . . . . . . . . . 4670 1 131 . 1 1 13 13 ILE CA C 13 62.16 . . . . . . . . . . . 4670 1 132 . 1 1 13 13 ILE CB C 13 41.36 . . . . . . . . . . . 4670 1 133 . 1 1 13 13 ILE CG1 C 13 22.18 . . . . . . . . . . . 4670 1 134 . 1 1 13 13 ILE CG2 C 13 17.54 . . . . . . . . . . . 4670 1 135 . 1 1 13 13 ILE CD1 C 13 12.99 . . . . . . . . . . . 4670 1 136 . 1 1 13 13 ILE N N 15 120.3 . . . . . . . . . . . 4670 1 137 . 1 1 14 14 LEU H H 1 7.72 . . . . . . . . . . . 4670 1 138 . 1 1 14 14 LEU HA H 1 4.86 . . . . . . . . . . . 4670 1 139 . 1 1 14 14 LEU HB2 H 1 1.38 . . . . . . . . . . . 4670 1 140 . 1 1 14 14 LEU HB3 H 1 1.00 . . . . . . . . . . . 4670 1 141 . 1 1 14 14 LEU HG H 1 0.90 . . . . . . . . . . . 4670 1 142 . 1 1 14 14 LEU HD11 H 1 0.70 . . . . . . . . . . . 4670 1 143 . 1 1 14 14 LEU HD12 H 1 0.70 . . . . . . . . . . . 4670 1 144 . 1 1 14 14 LEU HD13 H 1 0.70 . . . . . . . . . . . 4670 1 145 . 1 1 14 14 LEU C C 13 173.9 . . . . . . . . . . . 4670 1 146 . 1 1 14 14 LEU CA C 13 52.05 . . . . . . . . . . . 4670 1 147 . 1 1 14 14 LEU CB C 13 45.68 . . . . . . . . . . . 4670 1 148 . 1 1 14 14 LEU CG C 13 27.85 . . . . . . . . . . . 4670 1 149 . 1 1 14 14 LEU CD1 C 13 26.50 . . . . . . . . . . . 4670 1 150 . 1 1 14 14 LEU CD2 C 13 20.50 . . . . . . . . . . . 4670 1 151 . 1 1 14 14 LEU N N 15 127.3 . . . . . . . . . . . 4670 1 152 . 1 1 15 15 ILE H H 1 9.18 . . . . . . . . . . . 4670 1 153 . 1 1 15 15 ILE HA H 1 4.67 . . . . . . . . . . . 4670 1 154 . 1 1 15 15 ILE HB H 1 1.68 . . . . . . . . . . . 4670 1 155 . 1 1 15 15 ILE HG12 H 1 0.95 . . . . . . . . . . . 4670 1 156 . 1 1 15 15 ILE HG13 H 1 0.78 . . . . . . . . . . . 4670 1 157 . 1 1 15 15 ILE HG21 H 1 1.02 . . . . . . . . . . . 4670 1 158 . 1 1 15 15 ILE HG22 H 1 1.02 . . . . . . . . . . . 4670 1 159 . 1 1 15 15 ILE HG23 H 1 1.02 . . . . . . . . . . . 4670 1 160 . 1 1 15 15 ILE HD11 H 1 0.65 . . . . . . . . . . . 4670 1 161 . 1 1 15 15 ILE HD12 H 1 0.65 . . . . . . . . . . . 4670 1 162 . 1 1 15 15 ILE HD13 H 1 0.65 . . . . . . . . . . . 4670 1 163 . 1 1 15 15 ILE C C 13 176.0 . . . . . . . . . . . 4670 1 164 . 1 1 15 15 ILE CA C 13 60.74 . . . . . . . . . . . 4670 1 165 . 1 1 15 15 ILE CB C 13 39.00 . . . . . . . . . . . 4670 1 166 . 1 1 15 15 ILE CG1 C 13 23.50 . . . . . . . . . . . 4670 1 167 . 1 1 15 15 ILE CG2 C 13 16.99 . . . . . . . . . . . 4670 1 168 . 1 1 15 15 ILE CD1 C 13 12.04 . . . . . . . . . . . 4670 1 169 . 1 1 15 15 ILE N N 15 125.8 . . . . . . . . . . . 4670 1 170 . 1 1 16 16 LYS H H 1 9.09 . . . . . . . . . . . 4670 1 171 . 1 1 16 16 LYS HA H 1 4.21 . . . . . . . . . . . 4670 1 172 . 1 1 16 16 LYS HB2 H 1 1.76 . . . . . . . . . . . 4670 1 173 . 1 1 16 16 LYS HB3 H 1 1.67 . . . . . . . . . . . 4670 1 174 . 1 1 16 16 LYS HG2 H 1 1.38 . . . . . . . . . . . 4670 1 175 . 1 1 16 16 LYS HG3 H 1 1.02 . . . . . . . . . . . 4670 1 176 . 1 1 16 16 LYS HD2 H 1 1.58 . . . . . . . . . . . 4670 1 177 . 1 1 16 16 LYS HD3 H 1 1.37 . . . . . . . . . . . 4670 1 178 . 1 1 16 16 LYS C C 13 172.6 . . . . . . . . . . . 4670 1 179 . 1 1 16 16 LYS CA C 13 57.30 . . . . . . . . . . . 4670 1 180 . 1 1 16 16 LYS CB C 13 32.46 . . . . . . . . . . . 4670 1 181 . 1 1 16 16 LYS N N 15 125.4 . . . . . . . . . . . 4670 1 182 . 1 1 17 17 HIS H H 1 8.14 . . . . . . . . . . . 4670 1 183 . 1 1 17 17 HIS HA H 1 4.92 . . . . . . . . . . . 4670 1 184 . 1 1 17 17 HIS HB2 H 1 3.18 . . . . . . . . . . . 4670 1 185 . 1 1 17 17 HIS HB3 H 1 2.65 . . . . . . . . . . . 4670 1 186 . 1 1 17 17 HIS HD2 H 1 6.70 . . . . . . . . . . . 4670 1 187 . 1 1 17 17 HIS HE1 H 1 7.75 . . . . . . . . . . . 4670 1 188 . 1 1 17 17 HIS C C 13 176.1 . . . . . . . . . . . 4670 1 189 . 1 1 17 17 HIS CA C 13 54.41 . . . . . . . . . . . 4670 1 190 . 1 1 17 17 HIS CB C 13 33.48 . . . . . . . . . . . 4670 1 191 . 1 1 17 17 HIS N N 15 113.5 . . . . . . . . . . . 4670 1 192 . 1 1 18 18 GLN H H 1 9.08 . . . . . . . . . . . 4670 1 193 . 1 1 18 18 GLN HA H 1 3.92 . . . . . . . . . . . 4670 1 194 . 1 1 18 18 GLN HB2 H 1 2.30 . . . . . . . . . . . 4670 1 195 . 1 1 18 18 GLN HB3 H 1 2.10 . . . . . . . . . . . 4670 1 196 . 1 1 18 18 GLN HG2 H 1 2.60 . . . . . . . . . . . 4670 1 197 . 1 1 18 18 GLN HG3 H 1 2.45 . . . . . . . . . . . 4670 1 198 . 1 1 18 18 GLN C C 13 176.1 . . . . . . . . . . . 4670 1 199 . 1 1 18 18 GLN CA C 13 58.81 . . . . . . . . . . . 4670 1 200 . 1 1 18 18 GLN CB C 13 28.33 . . . . . . . . . . . 4670 1 201 . 1 1 18 18 GLN CG C 13 33.40 . . . . . . . . . . . 4670 1 202 . 1 1 18 18 GLN N N 15 116.4 . . . . . . . . . . . 4670 1 203 . 1 1 19 19 GLY H H 1 10.56 . . . . . . . . . . . 4670 1 204 . 1 1 19 19 GLY HA2 H 1 4.50 . . . . . . . . . . . 4670 1 205 . 1 1 19 19 GLY HA3 H 1 3.86 . . . . . . . . . . . 4670 1 206 . 1 1 19 19 GLY C C 13 174.7 . . . . . . . . . . . 4670 1 207 . 1 1 19 19 GLY CA C 13 44.61 . . . . . . . . . . . 4670 1 208 . 1 1 19 19 GLY N N 15 111.2 . . . . . . . . . . . 4670 1 209 . 1 1 20 20 SER HA H 1 3.64 . . . . . . . . . . . 4670 1 210 . 1 1 20 20 SER CA C 13 61.80 . . . . . . . . . . . 4670 1 211 . 1 1 24 24 ALA HA H 1 4.38 . . . . . . . . . . . 4670 1 212 . 1 1 24 24 ALA HB1 H 1 1.27 . . . . . . . . . . . 4670 1 213 . 1 1 24 24 ALA HB2 H 1 1.27 . . . . . . . . . . . 4670 1 214 . 1 1 24 24 ALA HB3 H 1 1.27 . . . . . . . . . . . 4670 1 215 . 1 1 24 24 ALA CA C 13 52.25 . . . . . . . . . . . 4670 1 216 . 1 1 24 24 ALA CB C 13 22.00 . . . . . . . . . . . 4670 1 217 . 1 1 25 25 SER HA H 1 4.96 . . . . . . . . . . . 4670 1 218 . 1 1 25 25 SER HB2 H 1 4.65 . . . . . . . . . . . 4670 1 219 . 1 1 25 25 SER HB3 H 1 3.60 . . . . . . . . . . . 4670 1 220 . 1 1 25 25 SER CA C 13 57.00 . . . . . . . . . . . 4670 1 221 . 1 1 26 26 TRP HB2 H 1 3.55 . . . . . . . . . . . 4670 1 222 . 1 1 26 26 TRP HB3 H 1 3.26 . . . . . . . . . . . 4670 1 223 . 1 1 26 26 TRP HD1 H 1 7.45 . . . . . . . . . . . 4670 1 224 . 1 1 26 26 TRP HE1 H 1 10.32 . . . . . . . . . . . 4670 1 225 . 1 1 26 26 TRP HE3 H 1 7.27 . . . . . . . . . . . 4670 1 226 . 1 1 26 26 TRP HZ2 H 1 7.15 . . . . . . . . . . . 4670 1 227 . 1 1 26 26 TRP CB C 13 27.25 . . . . . . . . . . . 4670 1 228 . 1 1 28 28 ASP HA H 1 4.96 . . . . . . . . . . . 4670 1 229 . 1 1 28 28 ASP HB2 H 1 2.20 . . . . . . . . . . . 4670 1 230 . 1 1 28 28 ASP HB3 H 1 2.10 . . . . . . . . . . . 4670 1 231 . 1 1 28 28 ASP CA C 13 52.17 . . . . . . . . . . . 4670 1 232 . 1 1 29 29 PRO HA H 1 4.54 . . . . . . . . . . . 4670 1 233 . 1 1 29 29 PRO HB2 H 1 2.38 . . . . . . . . . . . 4670 1 234 . 1 1 29 29 PRO HB3 H 1 2.10 . . . . . . . . . . . 4670 1 235 . 1 1 29 29 PRO HG2 H 1 2.04 . . . . . . . . . . . 4670 1 236 . 1 1 29 29 PRO HD2 H 1 3.78 . . . . . . . . . . . 4670 1 237 . 1 1 29 29 PRO HD3 H 1 3.38 . . . . . . . . . . . 4670 1 238 . 1 1 29 29 PRO C C 13 178.8 . . . . . . . . . . . 4670 1 239 . 1 1 29 29 PRO CA C 13 65.86 . . . . . . . . . . . 4670 1 240 . 1 1 29 29 PRO CB C 13 32.36 . . . . . . . . . . . 4670 1 241 . 1 1 29 29 PRO CG C 13 27.60 . . . . . . . . . . . 4670 1 242 . 1 1 29 29 PRO CD C 13 50.65 . . . . . . . . . . . 4670 1 243 . 1 1 30 30 GLU H H 1 9.00 . . . . . . . . . . . 4670 1 244 . 1 1 30 30 GLU HA H 1 4.50 . . . . . . . . . . . 4670 1 245 . 1 1 30 30 GLU HB2 H 1 2.31 . . . . . . . . . . . 4670 1 246 . 1 1 30 30 GLU HB3 H 1 1.95 . . . . . . . . . . . 4670 1 247 . 1 1 30 30 GLU HG2 H 1 2.25 . . . . . . . . . . . 4670 1 248 . 1 1 30 30 GLU HG3 H 1 2.05 . . . . . . . . . . . 4670 1 249 . 1 1 30 30 GLU C C 13 177.8 . . . . . . . . . . . 4670 1 250 . 1 1 30 30 GLU CA C 13 55.41 . . . . . . . . . . . 4670 1 251 . 1 1 30 30 GLU CB C 13 30.22 . . . . . . . . . . . 4670 1 252 . 1 1 30 30 GLU CG C 13 36.75 . . . . . . . . . . . 4670 1 253 . 1 1 30 30 GLU N N 15 114.9 . . . . . . . . . . . 4670 1 254 . 1 1 31 31 GLY H H 1 7.99 . . . . . . . . . . . 4670 1 255 . 1 1 31 31 GLY HA2 H 1 4.04 . . . . . . . . . . . 4670 1 256 . 1 1 31 31 GLY HA3 H 1 3.75 . . . . . . . . . . . 4670 1 257 . 1 1 31 31 GLY C C 13 173.2 . . . . . . . . . . . 4670 1 258 . 1 1 31 31 GLY CA C 13 47.76 . . . . . . . . . . . 4670 1 259 . 1 1 31 31 GLY N N 15 109.7 . . . . . . . . . . . 4670 1 260 . 1 1 36 36 THR HA H 1 4.54 . . . . . . . . . . . 4670 1 261 . 1 1 36 36 THR HB H 1 4.52 . . . . . . . . . . . 4670 1 262 . 1 1 36 36 THR HG21 H 1 1.22 . . . . . . . . . . . 4670 1 263 . 1 1 36 36 THR HG22 H 1 1.22 . . . . . . . . . . . 4670 1 264 . 1 1 36 36 THR HG23 H 1 1.22 . . . . . . . . . . . 4670 1 265 . 1 1 36 36 THR CA C 13 60.77 . . . . . . . . . . . 4670 1 266 . 1 1 36 36 THR CB C 13 69.62 . . . . . . . . . . . 4670 1 267 . 1 1 36 36 THR CG2 C 13 21.76 . . . . . . . . . . . 4670 1 268 . 1 1 37 37 THR H H 1 7.80 . . . . . . . . . . . 4670 1 269 . 1 1 37 37 THR HA H 1 4.39 . . . . . . . . . . . 4670 1 270 . 1 1 37 37 THR HB H 1 4.44 . . . . . . . . . . . 4670 1 271 . 1 1 37 37 THR HG21 H 1 1.35 . . . . . . . . . . . 4670 1 272 . 1 1 37 37 THR HG22 H 1 1.35 . . . . . . . . . . . 4670 1 273 . 1 1 37 37 THR HG23 H 1 1.35 . . . . . . . . . . . 4670 1 274 . 1 1 37 37 THR C C 13 172.2 . . . . . . . . . . . 4670 1 275 . 1 1 37 37 THR CA C 13 62.41 . . . . . . . . . . . 4670 1 276 . 1 1 37 37 THR CB C 13 70.17 . . . . . . . . . . . 4670 1 277 . 1 1 37 37 THR CG2 C 13 20.58 . . . . . . . . . . . 4670 1 278 . 1 1 37 37 THR N N 15 121.0 . . . . . . . . . . . 4670 1 279 . 1 1 38 38 THR H H 1 8.57 . . . . . . . . . . . 4670 1 280 . 1 1 38 38 THR HA H 1 4.32 . . . . . . . . . . . 4670 1 281 . 1 1 38 38 THR HB H 1 4.69 . . . . . . . . . . . 4670 1 282 . 1 1 38 38 THR HG21 H 1 1.380 . . . . . . . . . . . 4670 1 283 . 1 1 38 38 THR HG22 H 1 1.380 . . . . . . . . . . . 4670 1 284 . 1 1 38 38 THR HG23 H 1 1.380 . . . . . . . . . . . 4670 1 285 . 1 1 38 38 THR C C 13 174.8 . . . . . . . . . . . 4670 1 286 . 1 1 38 38 THR CA C 13 60.84 . . . . . . . . . . . 4670 1 287 . 1 1 38 38 THR CB C 13 70.70 . . . . . . . . . . . 4670 1 288 . 1 1 38 38 THR CG2 C 13 21.29 . . . . . . . . . . . 4670 1 289 . 1 1 38 38 THR N N 15 119.1 . . . . . . . . . . . 4670 1 290 . 1 1 39 39 ARG H H 1 9.08 . . . . . . . . . . . 4670 1 291 . 1 1 39 39 ARG HA H 1 3.21 . . . . . . . . . . . 4670 1 292 . 1 1 39 39 ARG HB2 H 1 1.24 . . . . . . . . . . . 4670 1 293 . 1 1 39 39 ARG HB3 H 1 1.35 . . . . . . . . . . . 4670 1 294 . 1 1 39 39 ARG HG2 H 1 1.00 . . . . . . . . . . . 4670 1 295 . 1 1 39 39 ARG HG3 H 1 0.95 . . . . . . . . . . . 4670 1 296 . 1 1 39 39 ARG HD2 H 1 2.87 . . . . . . . . . . . 4670 1 297 . 1 1 39 39 ARG HD3 H 1 2.65 . . . . . . . . . . . 4670 1 298 . 1 1 39 39 ARG C C 13 178.5 . . . . . . . . . . . 4670 1 299 . 1 1 39 39 ARG CA C 13 60.71 . . . . . . . . . . . 4670 1 300 . 1 1 39 39 ARG CB C 13 28.21 . . . . . . . . . . . 4670 1 301 . 1 1 39 39 ARG CD C 13 42.71 . . . . . . . . . . . 4670 1 302 . 1 1 39 39 ARG N N 15 121.9 . . . . . . . . . . . 4670 1 303 . 1 1 40 40 GLU H H 1 8.53 . . . . . . . . . . . 4670 1 304 . 1 1 40 40 GLU HA H 1 3.75 . . . . . . . . . . . 4670 1 305 . 1 1 40 40 GLU HB2 H 1 2.05 . . . . . . . . . . . 4670 1 306 . 1 1 40 40 GLU HB3 H 1 1.94 . . . . . . . . . . . 4670 1 307 . 1 1 40 40 GLU HG2 H 1 2.42 . . . . . . . . . . . 4670 1 308 . 1 1 40 40 GLU HG3 H 1 2.22 . . . . . . . . . . . 4670 1 309 . 1 1 40 40 GLU C C 13 179.9 . . . . . . . . . . . 4670 1 310 . 1 1 40 40 GLU CA C 13 60.74 . . . . . . . . . . . 4670 1 311 . 1 1 40 40 GLU CB C 13 28.82 . . . . . . . . . . . 4670 1 312 . 1 1 40 40 GLU CG C 13 37.4 . . . . . . . . . . . 4670 1 313 . 1 1 40 40 GLU N N 15 115.5 . . . . . . . . . . . 4670 1 314 . 1 1 41 41 ALA H H 1 8.14 . . . . . . . . . . . 4670 1 315 . 1 1 41 41 ALA HA H 1 4.15 . . . . . . . . . . . 4670 1 316 . 1 1 41 41 ALA HB1 H 1 1.55 . . . . . . . . . . . 4670 1 317 . 1 1 41 41 ALA HB2 H 1 1.55 . . . . . . . . . . . 4670 1 318 . 1 1 41 41 ALA HB3 H 1 1.55 . . . . . . . . . . . 4670 1 319 . 1 1 41 41 ALA C C 13 183.3 . . . . . . . . . . . 4670 1 320 . 1 1 41 41 ALA CA C 13 54.98 . . . . . . . . . . . 4670 1 321 . 1 1 41 41 ALA CB C 13 18.57 . . . . . . . . . . . 4670 1 322 . 1 1 41 41 ALA N N 15 123.0 . . . . . . . . . . . 4670 1 323 . 1 1 42 42 ALA H H 1 8.09 . . . . . . . . . . . 4670 1 324 . 1 1 42 42 ALA HA H 1 4.04 . . . . . . . . . . . 4670 1 325 . 1 1 42 42 ALA HB1 H 1 1.38 . . . . . . . . . . . 4670 1 326 . 1 1 42 42 ALA HB2 H 1 1.38 . . . . . . . . . . . 4670 1 327 . 1 1 42 42 ALA HB3 H 1 1.38 . . . . . . . . . . . 4670 1 328 . 1 1 42 42 ALA C C 13 180.6 . . . . . . . . . . . 4670 1 329 . 1 1 42 42 ALA CA C 13 55.24 . . . . . . . . . . . 4670 1 330 . 1 1 42 42 ALA CB C 13 18.53 . . . . . . . . . . . 4670 1 331 . 1 1 42 42 ALA N N 15 123.0 . . . . . . . . . . . 4670 1 332 . 1 1 43 43 VAL H H 1 8.70 . . . . . . . . . . . 4670 1 333 . 1 1 43 43 VAL HA H 1 3.41 . . . . . . . . . . . 4670 1 334 . 1 1 43 43 VAL HB H 1 2.19 . . . . . . . . . . . 4670 1 335 . 1 1 43 43 VAL HG11 H 1 1.05 . . . . . . . . . . . 4670 1 336 . 1 1 43 43 VAL HG12 H 1 1.05 . . . . . . . . . . . 4670 1 337 . 1 1 43 43 VAL HG13 H 1 1.05 . . . . . . . . . . . 4670 1 338 . 1 1 43 43 VAL HG21 H 1 0.94 . . . . . . . . . . . 4670 1 339 . 1 1 43 43 VAL HG22 H 1 0.94 . . . . . . . . . . . 4670 1 340 . 1 1 43 43 VAL HG23 H 1 0.94 . . . . . . . . . . . 4670 1 341 . 1 1 43 43 VAL C C 13 178.4 . . . . . . . . . . . 4670 1 342 . 1 1 43 43 VAL CA C 13 67.45 . . . . . . . . . . . 4670 1 343 . 1 1 43 43 VAL CB C 13 31.65 . . . . . . . . . . . 4670 1 344 . 1 1 43 43 VAL CG1 C 13 24.2 . . . . . . . . . . . 4670 1 345 . 1 1 43 43 VAL CG2 C 13 21.5 . . . . . . . . . . . 4670 1 346 . 1 1 43 43 VAL N N 15 117.5 . . . . . . . . . . . 4670 1 347 . 1 1 44 44 GLU H H 1 8.03 . . . . . . . . . . . 4670 1 348 . 1 1 44 44 GLU HA H 1 3.93 . . . . . . . . . . . 4670 1 349 . 1 1 44 44 GLU HB2 H 1 2.12 . . . . . . . . . . . 4670 1 350 . 1 1 44 44 GLU HB3 H 1 2.04 . . . . . . . . . . . 4670 1 351 . 1 1 44 44 GLU HG2 H 1 2.38 . . . . . . . . . . . 4670 1 352 . 1 1 44 44 GLU HG3 H 1 2.32 . . . . . . . . . . . 4670 1 353 . 1 1 44 44 GLU C C 13 181.7 . . . . . . . . . . . 4670 1 354 . 1 1 44 44 GLU CA C 13 59.68 . . . . . . . . . . . 4670 1 355 . 1 1 44 44 GLU CB C 13 29.18 . . . . . . . . . . . 4670 1 356 . 1 1 44 44 GLU CG C 13 36.10 . . . . . . . . . . . 4670 1 357 . 1 1 44 44 GLU N N 15 118.5 . . . . . . . . . . . 4670 1 358 . 1 1 45 45 GLN H H 1 7.97 . . . . . . . . . . . 4670 1 359 . 1 1 45 45 GLN HA H 1 4.07 . . . . . . . . . . . 4670 1 360 . 1 1 45 45 GLN HB2 H 1 2.17 . . . . . . . . . . . 4670 1 361 . 1 1 45 45 GLN HB3 H 1 2.08 . . . . . . . . . . . 4670 1 362 . 1 1 45 45 GLN HG2 H 1 2.50 . . . . . . . . . . . 4670 1 363 . 1 1 45 45 GLN HG3 H 1 2.47 . . . . . . . . . . . 4670 1 364 . 1 1 45 45 GLN C C 13 180.6 . . . . . . . . . . . 4670 1 365 . 1 1 45 45 GLN CA C 13 58.98 . . . . . . . . . . . 4670 1 366 . 1 1 45 45 GLN CB C 13 28.42 . . . . . . . . . . . 4670 1 367 . 1 1 45 45 GLN CG C 13 33.80 . . . . . . . . . . . 4670 1 368 . 1 1 45 45 GLN N N 15 118.7 . . . . . . . . . . . 4670 1 369 . 1 1 46 46 LEU H H 1 8.51 . . . . . . . . . . . 4670 1 370 . 1 1 46 46 LEU HA H 1 4.07 . . . . . . . . . . . 4670 1 371 . 1 1 46 46 LEU HB2 H 1 1.69 . . . . . . . . . . . 4670 1 372 . 1 1 46 46 LEU HB3 H 1 1.60 . . . . . . . . . . . 4670 1 373 . 1 1 46 46 LEU HG H 1 0.78 . . . . . . . . . . . 4670 1 374 . 1 1 46 46 LEU HD11 H 1 0.95 . . . . . . . . . . . 4670 1 375 . 1 1 46 46 LEU HD12 H 1 0.95 . . . . . . . . . . . 4670 1 376 . 1 1 46 46 LEU HD13 H 1 0.95 . . . . . . . . . . . 4670 1 377 . 1 1 46 46 LEU HD21 H 1 0.85 . . . . . . . . . . . 4670 1 378 . 1 1 46 46 LEU HD22 H 1 0.85 . . . . . . . . . . . 4670 1 379 . 1 1 46 46 LEU HD23 H 1 0.85 . . . . . . . . . . . 4670 1 380 . 1 1 46 46 LEU C C 13 179.7 . . . . . . . . . . . 4670 1 381 . 1 1 46 46 LEU CA C 13 57.08 . . . . . . . . . . . 4670 1 382 . 1 1 46 46 LEU CB C 13 42.12 . . . . . . . . . . . 4670 1 383 . 1 1 46 46 LEU CG C 13 24.33 . . . . . . . . . . . 4670 1 384 . 1 1 46 46 LEU N N 15 120.1 . . . . . . . . . . . 4670 1 385 . 1 1 47 47 LYS H H 1 9.13 . . . . . . . . . . . 4670 1 386 . 1 1 47 47 LYS HA H 1 3.89 . . . . . . . . . . . 4670 1 387 . 1 1 47 47 LYS HB2 H 1 1.92 . . . . . . . . . . . 4670 1 388 . 1 1 47 47 LYS HG2 H 1 1.65 . . . . . . . . . . . 4670 1 389 . 1 1 47 47 LYS HG3 H 1 1.40 . . . . . . . . . . . 4670 1 390 . 1 1 47 47 LYS HE2 H 1 3.22 . . . . . . . . . . . 4670 1 391 . 1 1 47 47 LYS HE3 H 1 3.15 . . . . . . . . . . . 4670 1 392 . 1 1 47 47 LYS C C 13 181.5 . . . . . . . . . . . 4670 1 393 . 1 1 47 47 LYS CA C 13 60.49 . . . . . . . . . . . 4670 1 394 . 1 1 47 47 LYS CB C 13 32.57 . . . . . . . . . . . 4670 1 395 . 1 1 47 47 LYS CG C 13 26.35 . . . . . . . . . . . 4670 1 396 . 1 1 47 47 LYS CD C 13 29.85 . . . . . . . . . . . 4670 1 397 . 1 1 47 47 LYS N N 15 120.0 . . . . . . . . . . . 4670 1 398 . 1 1 48 48 SER H H 1 7.44 . . . . . . . . . . . 4670 1 399 . 1 1 48 48 SER HA H 1 4.26 . . . . . . . . . . . 4670 1 400 . 1 1 48 48 SER HB2 H 1 4.02 . . . . . . . . . . . 4670 1 401 . 1 1 48 48 SER C C 13 176.4 . . . . . . . . . . . 4670 1 402 . 1 1 48 48 SER CA C 13 61.59 . . . . . . . . . . . 4670 1 403 . 1 1 48 48 SER CB C 13 62.77 . . . . . . . . . . . 4670 1 404 . 1 1 48 48 SER N N 15 114.6 . . . . . . . . . . . 4670 1 405 . 1 1 49 49 ILE H H 1 7.81 . . . . . . . . . . . 4670 1 406 . 1 1 49 49 ILE HA H 1 3.77 . . . . . . . . . . . 4670 1 407 . 1 1 49 49 ILE HB H 1 1.89 . . . . . . . . . . . 4670 1 408 . 1 1 49 49 ILE HG12 H 1 1.10 . . . . . . . . . . . 4670 1 409 . 1 1 49 49 ILE HG21 H 1 0.76 . . . . . . . . . . . 4670 1 410 . 1 1 49 49 ILE HG22 H 1 0.76 . . . . . . . . . . . 4670 1 411 . 1 1 49 49 ILE HG23 H 1 0.76 . . . . . . . . . . . 4670 1 412 . 1 1 49 49 ILE HD11 H 1 0.54 . . . . . . . . . . . 4670 1 413 . 1 1 49 49 ILE HD12 H 1 0.54 . . . . . . . . . . . 4670 1 414 . 1 1 49 49 ILE HD13 H 1 0.54 . . . . . . . . . . . 4670 1 415 . 1 1 49 49 ILE C C 13 178.2 . . . . . . . . . . . 4670 1 416 . 1 1 49 49 ILE CA C 13 64.97 . . . . . . . . . . . 4670 1 417 . 1 1 49 49 ILE CB C 13 38.70 . . . . . . . . . . . 4670 1 418 . 1 1 49 49 ILE CG2 C 13 18.77 . . . . . . . . . . . 4670 1 419 . 1 1 49 49 ILE CD1 C 13 16.05 . . . . . . . . . . . 4670 1 420 . 1 1 49 49 ILE N N 15 121.6 . . . . . . . . . . . 4670 1 421 . 1 1 50 50 ARG H H 1 8.96 . . . . . . . . . . . 4670 1 422 . 1 1 50 50 ARG HA H 1 3.59 . . . . . . . . . . . 4670 1 423 . 1 1 50 50 ARG HB2 H 1 1.90 . . . . . . . . . . . 4670 1 424 . 1 1 50 50 ARG HB3 H 1 1.85 . . . . . . . . . . . 4670 1 425 . 1 1 50 50 ARG HG2 H 1 2.05 . . . . . . . . . . . 4670 1 426 . 1 1 50 50 ARG HG3 H 1 1.97 . . . . . . . . . . . 4670 1 427 . 1 1 50 50 ARG C C 13 178.8 . . . . . . . . . . . 4670 1 428 . 1 1 50 50 ARG CA C 13 60.86 . . . . . . . . . . . 4670 1 429 . 1 1 50 50 ARG CB C 13 29.50 . . . . . . . . . . . 4670 1 430 . 1 1 50 50 ARG N N 15 119.2 . . . . . . . . . . . 4670 1 431 . 1 1 51 51 GLU H H 1 7.79 . . . . . . . . . . . 4670 1 432 . 1 1 51 51 GLU HA H 1 4.13 . . . . . . . . . . . 4670 1 433 . 1 1 51 51 GLU HB2 H 1 2.20 . . . . . . . . . . . 4670 1 434 . 1 1 51 51 GLU HB3 H 1 2.12 . . . . . . . . . . . 4670 1 435 . 1 1 51 51 GLU HG2 H 1 2.42 . . . . . . . . . . . 4670 1 436 . 1 1 51 51 GLU C C 13 181.5 . . . . . . . . . . . 4670 1 437 . 1 1 51 51 GLU CA C 13 59.05 . . . . . . . . . . . 4670 1 438 . 1 1 51 51 GLU CB C 13 29.03 . . . . . . . . . . . 4670 1 439 . 1 1 51 51 GLU CG C 13 35.9 . . . . . . . . . . . 4670 1 440 . 1 1 51 51 GLU N N 15 116.4 . . . . . . . . . . . 4670 1 441 . 1 1 52 52 ASP H H 1 8.03 . . . . . . . . . . . 4670 1 442 . 1 1 52 52 ASP HA H 1 4.33 . . . . . . . . . . . 4670 1 443 . 1 1 52 52 ASP HB2 H 1 2.97 . . . . . . . . . . . 4670 1 444 . 1 1 52 52 ASP HB3 H 1 2.33 . . . . . . . . . . . 4670 1 445 . 1 1 52 52 ASP C C 13 179.0 . . . . . . . . . . . 4670 1 446 . 1 1 52 52 ASP CA C 13 57.45 . . . . . . . . . . . 4670 1 447 . 1 1 52 52 ASP CB C 13 39.91 . . . . . . . . . . . 4670 1 448 . 1 1 52 52 ASP N N 15 121.2 . . . . . . . . . . . 4670 1 449 . 1 1 53 53 ILE H H 1 8.35 . . . . . . . . . . . 4670 1 450 . 1 1 53 53 ILE HA H 1 4.27 . . . . . . . . . . . 4670 1 451 . 1 1 53 53 ILE HB H 1 1.85 . . . . . . . . . . . 4670 1 452 . 1 1 53 53 ILE HG12 H 1 1.10 . . . . . . . . . . . 4670 1 453 . 1 1 53 53 ILE HG13 H 1 0.75 . . . . . . . . . . . 4670 1 454 . 1 1 53 53 ILE HG21 H 1 0.97 . . . . . . . . . . . 4670 1 455 . 1 1 53 53 ILE HG22 H 1 0.97 . . . . . . . . . . . 4670 1 456 . 1 1 53 53 ILE HG23 H 1 0.97 . . . . . . . . . . . 4670 1 457 . 1 1 53 53 ILE HD11 H 1 0.57 . . . . . . . . . . . 4670 1 458 . 1 1 53 53 ILE HD12 H 1 0.57 . . . . . . . . . . . 4670 1 459 . 1 1 53 53 ILE HD13 H 1 0.57 . . . . . . . . . . . 4670 1 460 . 1 1 53 53 ILE C C 13 178.2 . . . . . . . . . . . 4670 1 461 . 1 1 53 53 ILE CA C 13 64.39 . . . . . . . . . . . 4670 1 462 . 1 1 53 53 ILE CB C 13 39.00 . . . . . . . . . . . 4670 1 463 . 1 1 53 53 ILE CG1 C 13 18.69 . . . . . . . . . . . 4670 1 464 . 1 1 53 53 ILE CD1 C 13 15.95 . . . . . . . . . . . 4670 1 465 . 1 1 53 53 ILE N N 15 120.2 . . . . . . . . . . . 4670 1 466 . 1 1 54 54 VAL H H 1 9.10 . . . . . . . . . . . 4670 1 467 . 1 1 54 54 VAL HA H 1 3.96 . . . . . . . . . . . 4670 1 468 . 1 1 54 54 VAL HB H 1 2.32 . . . . . . . . . . . 4670 1 469 . 1 1 54 54 VAL HG11 H 1 1.15 . . . . . . . . . . . 4670 1 470 . 1 1 54 54 VAL HG12 H 1 1.15 . . . . . . . . . . . 4670 1 471 . 1 1 54 54 VAL HG13 H 1 1.15 . . . . . . . . . . . 4670 1 472 . 1 1 54 54 VAL HG21 H 1 1.07 . . . . . . . . . . . 4670 1 473 . 1 1 54 54 VAL HG22 H 1 1.07 . . . . . . . . . . . 4670 1 474 . 1 1 54 54 VAL HG23 H 1 1.07 . . . . . . . . . . . 4670 1 475 . 1 1 54 54 VAL C C 13 179.5 . . . . . . . . . . . 4670 1 476 . 1 1 54 54 VAL CA C 13 66.21 . . . . . . . . . . . 4670 1 477 . 1 1 54 54 VAL CB C 13 31.55 . . . . . . . . . . . 4670 1 478 . 1 1 54 54 VAL CG1 C 13 24.3 . . . . . . . . . . . 4670 1 479 . 1 1 54 54 VAL CG2 C 13 21.35 . . . . . . . . . . . 4670 1 480 . 1 1 54 54 VAL N N 15 119.2 . . . . . . . . . . . 4670 1 481 . 1 1 55 55 SER H H 1 8.09 . . . . . . . . . . . 4670 1 482 . 1 1 55 55 SER HA H 1 4.53 . . . . . . . . . . . 4670 1 483 . 1 1 55 55 SER HB2 H 1 4.14 . . . . . . . . . . . 4670 1 484 . 1 1 55 55 SER HB3 H 1 4.08 . . . . . . . . . . . 4670 1 485 . 1 1 55 55 SER C C 13 175.1 . . . . . . . . . . . 4670 1 486 . 1 1 55 55 SER CA C 13 59.38 . . . . . . . . . . . 4670 1 487 . 1 1 55 55 SER CB C 13 64.15 . . . . . . . . . . . 4670 1 488 . 1 1 55 55 SER N N 15 112.2 . . . . . . . . . . . 4670 1 489 . 1 1 56 56 GLY H H 1 7.92 . . . . . . . . . . . 4670 1 490 . 1 1 56 56 GLY HA2 H 1 4.32 . . . . . . . . . . . 4670 1 491 . 1 1 56 56 GLY HA3 H 1 3.94 . . . . . . . . . . . 4670 1 492 . 1 1 56 56 GLY C C 13 173.4 . . . . . . . . . . . 4670 1 493 . 1 1 56 56 GLY CA C 13 45.58 . . . . . . . . . . . 4670 1 494 . 1 1 56 56 GLY N N 15 109.6 . . . . . . . . . . . 4670 1 495 . 1 1 57 57 LYS H H 1 8.30 . . . . . . . . . . . 4670 1 496 . 1 1 57 57 LYS HA H 1 4.17 . . . . . . . . . . . 4670 1 497 . 1 1 57 57 LYS HB2 H 1 1.86 . . . . . . . . . . . 4670 1 498 . 1 1 57 57 LYS HB3 H 1 1.73 . . . . . . . . . . . 4670 1 499 . 1 1 57 57 LYS HG2 H 1 1.4 . . . . . . . . . . . 4670 1 500 . 1 1 57 57 LYS HD2 H 1 1.55 . . . . . . . . . . . 4670 1 501 . 1 1 57 57 LYS HD3 H 1 1.47 . . . . . . . . . . . 4670 1 502 . 1 1 57 57 LYS C C 13 175.2 . . . . . . . . . . . 4670 1 503 . 1 1 57 57 LYS CA C 13 57.72 . . . . . . . . . . . 4670 1 504 . 1 1 57 57 LYS CB C 13 33.07 . . . . . . . . . . . 4670 1 505 . 1 1 57 57 LYS N N 15 120.4 . . . . . . . . . . . 4670 1 506 . 1 1 58 58 ALA H H 1 7.54 . . . . . . . . . . . 4670 1 507 . 1 1 58 58 ALA HA H 1 4.53 . . . . . . . . . . . 4670 1 508 . 1 1 58 58 ALA HB1 H 1 1.12 . . . . . . . . . . . 4670 1 509 . 1 1 58 58 ALA HB2 H 1 1.12 . . . . . . . . . . . 4670 1 510 . 1 1 58 58 ALA HB3 H 1 1.12 . . . . . . . . . . . 4670 1 511 . 1 1 58 58 ALA C C 13 173.2 . . . . . . . . . . . 4670 1 512 . 1 1 58 58 ALA CA C 13 50.07 . . . . . . . . . . . 4670 1 513 . 1 1 58 58 ALA CB C 13 22.73 . . . . . . . . . . . 4670 1 514 . 1 1 58 58 ALA N N 15 119.3 . . . . . . . . . . . 4670 1 515 . 1 1 59 59 ASN H H 1 8.91 . . . . . . . . . . . 4670 1 516 . 1 1 59 59 ASN HA H 1 4.96 . . . . . . . . . . . 4670 1 517 . 1 1 59 59 ASN HB2 H 1 2.85 . . . . . . . . . . . 4670 1 518 . 1 1 59 59 ASN HB3 H 1 2.71 . . . . . . . . . . . 4670 1 519 . 1 1 59 59 ASN C C 13 173.4 . . . . . . . . . . . 4670 1 520 . 1 1 59 59 ASN CA C 13 52.17 . . . . . . . . . . . 4670 1 521 . 1 1 59 59 ASN CB C 13 41.54 . . . . . . . . . . . 4670 1 522 . 1 1 59 59 ASN N N 15 119.6 . . . . . . . . . . . 4670 1 523 . 1 1 60 60 PHE H H 1 9.41 . . . . . . . . . . . 4670 1 524 . 1 1 60 60 PHE HA H 1 3.56 . . . . . . . . . . . 4670 1 525 . 1 1 60 60 PHE HB2 H 1 3.19 . . . . . . . . . . . 4670 1 526 . 1 1 60 60 PHE HB3 H 1 3.10 . . . . . . . . . . . 4670 1 527 . 1 1 60 60 PHE HD1 H 1 6.85 . . . . . . . . . . . 4670 1 528 . 1 1 60 60 PHE HE1 H 1 7.60 . . . . . . . . . . . 4670 1 529 . 1 1 60 60 PHE HZ H 1 7.10 . . . . . . . . . . . 4670 1 530 . 1 1 60 60 PHE C C 13 175.0 . . . . . . . . . . . 4670 1 531 . 1 1 60 60 PHE CA C 13 62.37 . . . . . . . . . . . 4670 1 532 . 1 1 60 60 PHE CB C 13 39.74 . . . . . . . . . . . 4670 1 533 . 1 1 60 60 PHE N N 15 126.5 . . . . . . . . . . . 4670 1 534 . 1 1 61 61 GLU H H 1 8.63 . . . . . . . . . . . 4670 1 535 . 1 1 61 61 GLU HA H 1 4.32 . . . . . . . . . . . 4670 1 536 . 1 1 61 61 GLU HB2 H 1 2.50 . . . . . . . . . . . 4670 1 537 . 1 1 61 61 GLU HB3 H 1 2.12 . . . . . . . . . . . 4670 1 538 . 1 1 61 61 GLU HG2 H 1 2.77 . . . . . . . . . . . 4670 1 539 . 1 1 61 61 GLU HG3 H 1 2.73 . . . . . . . . . . . 4670 1 540 . 1 1 61 61 GLU C C 13 180.3 . . . . . . . . . . . 4670 1 541 . 1 1 61 61 GLU CA C 13 60.99 . . . . . . . . . . . 4670 1 542 . 1 1 61 61 GLU CB C 13 28.58 . . . . . . . . . . . 4670 1 543 . 1 1 61 61 GLU CG C 13 37.85 . . . . . . . . . . . 4670 1 544 . 1 1 61 61 GLU N N 15 116.9 . . . . . . . . . . . 4670 1 545 . 1 1 62 62 GLU H H 1 8.36 . . . . . . . . . . . 4670 1 546 . 1 1 62 62 GLU HA H 1 4.08 . . . . . . . . . . . 4670 1 547 . 1 1 62 62 GLU HB2 H 1 1.65 . . . . . . . . . . . 4670 1 548 . 1 1 62 62 GLU HB3 H 1 1.60 . . . . . . . . . . . 4670 1 549 . 1 1 62 62 GLU HG2 H 1 1.90 . . . . . . . . . . . 4670 1 550 . 1 1 62 62 GLU HG3 H 1 1.85 . . . . . . . . . . . 4670 1 551 . 1 1 62 62 GLU C C 13 181.5 . . . . . . . . . . . 4670 1 552 . 1 1 62 62 GLU CA C 13 59.98 . . . . . . . . . . . 4670 1 553 . 1 1 62 62 GLU CB C 13 29.75 . . . . . . . . . . . 4670 1 554 . 1 1 62 62 GLU CG C 13 36.25 . . . . . . . . . . . 4670 1 555 . 1 1 62 62 GLU N N 15 121.6 . . . . . . . . . . . 4670 1 556 . 1 1 63 63 VAL H H 1 8.25 . . . . . . . . . . . 4670 1 557 . 1 1 63 63 VAL HA H 1 3.56 . . . . . . . . . . . 4670 1 558 . 1 1 63 63 VAL HB H 1 1.85 . . . . . . . . . . . 4670 1 559 . 1 1 63 63 VAL HG11 H 1 0.95 . . . . . . . . . . . 4670 1 560 . 1 1 63 63 VAL HG12 H 1 0.95 . . . . . . . . . . . 4670 1 561 . 1 1 63 63 VAL HG13 H 1 0.95 . . . . . . . . . . . 4670 1 562 . 1 1 63 63 VAL HG21 H 1 0.78 . . . . . . . . . . . 4670 1 563 . 1 1 63 63 VAL HG22 H 1 0.78 . . . . . . . . . . . 4670 1 564 . 1 1 63 63 VAL HG23 H 1 0.78 . . . . . . . . . . . 4670 1 565 . 1 1 63 63 VAL C C 13 179.9 . . . . . . . . . . . 4670 1 566 . 1 1 63 63 VAL CA C 13 66.24 . . . . . . . . . . . 4670 1 567 . 1 1 63 63 VAL CB C 13 31.50 . . . . . . . . . . . 4670 1 568 . 1 1 63 63 VAL CG1 C 13 23.43 . . . . . . . . . . . 4670 1 569 . 1 1 63 63 VAL CG2 C 13 22.74 . . . . . . . . . . . 4670 1 570 . 1 1 63 63 VAL N N 15 119.1 . . . . . . . . . . . 4670 1 571 . 1 1 64 64 ALA H H 1 8.76 . . . . . . . . . . . 4670 1 572 . 1 1 64 64 ALA HA H 1 3.66 . . . . . . . . . . . 4670 1 573 . 1 1 64 64 ALA HB1 H 1 1.27 . . . . . . . . . . . 4670 1 574 . 1 1 64 64 ALA HB2 H 1 1.27 . . . . . . . . . . . 4670 1 575 . 1 1 64 64 ALA HB3 H 1 1.27 . . . . . . . . . . . 4670 1 576 . 1 1 64 64 ALA C C 13 180.3 . . . . . . . . . . . 4670 1 577 . 1 1 64 64 ALA CA C 13 56.46 . . . . . . . . . . . 4670 1 578 . 1 1 64 64 ALA CB C 13 17.68 . . . . . . . . . . . 4670 1 579 . 1 1 64 64 ALA N N 15 122.1 . . . . . . . . . . . 4670 1 580 . 1 1 65 65 THR H H 1 7.61 . . . . . . . . . . . 4670 1 581 . 1 1 65 65 THR HA H 1 4.35 . . . . . . . . . . . 4670 1 582 . 1 1 65 65 THR HB H 1 4.26 . . . . . . . . . . . 4670 1 583 . 1 1 65 65 THR HG21 H 1 1.42 . . . . . . . . . . . 4670 1 584 . 1 1 65 65 THR HG22 H 1 1.42 . . . . . . . . . . . 4670 1 585 . 1 1 65 65 THR HG23 H 1 1.42 . . . . . . . . . . . 4670 1 586 . 1 1 65 65 THR C C 13 174.5 . . . . . . . . . . . 4670 1 587 . 1 1 65 65 THR CA C 13 65.11 . . . . . . . . . . . 4670 1 588 . 1 1 65 65 THR CB C 13 70.16 . . . . . . . . . . . 4670 1 589 . 1 1 65 65 THR N N 15 106.6 . . . . . . . . . . . 4670 1 590 . 1 1 66 66 ARG H H 1 7.23 . . . . . . . . . . . 4670 1 591 . 1 1 66 66 ARG HA H 1 4.58 . . . . . . . . . . . 4670 1 592 . 1 1 66 66 ARG HB2 H 1 1.91 . . . . . . . . . . . 4670 1 593 . 1 1 66 66 ARG HG2 H 1 1.77 . . . . . . . . . . . 4670 1 594 . 1 1 66 66 ARG HG3 H 1 1.67 . . . . . . . . . . . 4670 1 595 . 1 1 66 66 ARG HD2 H 1 3.16 . . . . . . . . . . . 4670 1 596 . 1 1 66 66 ARG HD3 H 1 3.04 . . . . . . . . . . . 4670 1 597 . 1 1 66 66 ARG C C 13 178.6 . . . . . . . . . . . 4670 1 598 . 1 1 66 66 ARG CA C 13 57.65 . . . . . . . . . . . 4670 1 599 . 1 1 66 66 ARG CB C 13 32.97 . . . . . . . . . . . 4670 1 600 . 1 1 66 66 ARG CG C 13 28.1 . . . . . . . . . . . 4670 1 601 . 1 1 66 66 ARG CD C 13 43.05 . . . . . . . . . . . 4670 1 602 . 1 1 66 66 ARG N N 15 116.6 . . . . . . . . . . . 4670 1 603 . 1 1 67 67 VAL H H 1 8.59 . . . . . . . . . . . 4670 1 604 . 1 1 67 67 VAL HA H 1 4.12 . . . . . . . . . . . 4670 1 605 . 1 1 67 67 VAL HB H 1 1.88 . . . . . . . . . . . 4670 1 606 . 1 1 67 67 VAL HG11 H 1 0.85 . . . . . . . . . . . 4670 1 607 . 1 1 67 67 VAL HG12 H 1 0.85 . . . . . . . . . . . 4670 1 608 . 1 1 67 67 VAL HG13 H 1 0.85 . . . . . . . . . . . 4670 1 609 . 1 1 67 67 VAL HG21 H 1 0.76 . . . . . . . . . . . 4670 1 610 . 1 1 67 67 VAL HG22 H 1 0.76 . . . . . . . . . . . 4670 1 611 . 1 1 67 67 VAL HG23 H 1 0.76 . . . . . . . . . . . 4670 1 612 . 1 1 67 67 VAL C C 13 175.6 . . . . . . . . . . . 4670 1 613 . 1 1 67 67 VAL CA C 13 62.77 . . . . . . . . . . . 4670 1 614 . 1 1 67 67 VAL CB C 13 34.15 . . . . . . . . . . . 4670 1 615 . 1 1 67 67 VAL CG1 C 13 18.0 . . . . . . . . . . . 4670 1 616 . 1 1 67 67 VAL CG2 C 13 20.95 . . . . . . . . . . . 4670 1 617 . 1 1 67 67 VAL N N 15 113.1 . . . . . . . . . . . 4670 1 618 . 1 1 68 68 SER H H 1 7.96 . . . . . . . . . . . 4670 1 619 . 1 1 68 68 SER HA H 1 4.67 . . . . . . . . . . . 4670 1 620 . 1 1 68 68 SER HB2 H 1 4.50 . . . . . . . . . . . 4670 1 621 . 1 1 68 68 SER HB3 H 1 3.80 . . . . . . . . . . . 4670 1 622 . 1 1 68 68 SER C C 13 175.7 . . . . . . . . . . . 4670 1 623 . 1 1 68 68 SER CA C 13 57.38 . . . . . . . . . . . 4670 1 624 . 1 1 68 68 SER CB C 13 65.35 . . . . . . . . . . . 4670 1 625 . 1 1 68 68 SER N N 15 111.1 . . . . . . . . . . . 4670 1 626 . 1 1 69 69 ASP H H 1 9.59 . . 9 . . . . . . . . 4670 1 627 . 1 1 69 69 ASP HA H 1 4.68 . . . . . . . . . . . 4670 1 628 . 1 1 69 69 ASP HB2 H 1 2.77 . . . . . . . . . . . 4670 1 629 . 1 1 69 69 ASP HB3 H 1 2.20 . . . . . . . . . . . 4670 1 630 . 1 1 69 69 ASP C C 13 175.1 . . . . . . . . . . . 4670 1 631 . 1 1 69 69 ASP CA C 13 56.39 . . . . . . . . . . . 4670 1 632 . 1 1 69 69 ASP CB C 13 44.10 . . . . . . . . . . . 4670 1 633 . 1 1 69 69 ASP N N 15 123.5 . . . . . . . . . . . 4670 1 634 . 1 1 70 70 CYS H H 1 8.04 . . . . . . . . . . . 4670 1 635 . 1 1 70 70 CYS HA H 1 4.48 . . . . . . . . . . . 4670 1 636 . 1 1 70 70 CYS HB2 H 1 2.82 . . . . . . . . . . . 4670 1 637 . 1 1 70 70 CYS HB3 H 1 2.52 . . . . . . . . . . . 4670 1 638 . 1 1 70 70 CYS C C 13 176.9 . . . . . . . . . . . 4670 1 639 . 1 1 70 70 CYS CA C 13 59.95 . . . . . . . . . . . 4670 1 640 . 1 1 70 70 CYS CB C 13 29.03 . . . . . . . . . . . 4670 1 641 . 1 1 70 70 CYS N N 15 123.3 . . . . . . . . . . . 4670 1 642 . 1 1 71 71 SER H H 1 8.92 . . . . . . . . . . . 4670 1 643 . 1 1 71 71 SER HA H 1 4.04 . . . . . . . . . . . 4670 1 644 . 1 1 71 71 SER HB2 H 1 3.94 . . . . . . . . . . . 4670 1 645 . 1 1 71 71 SER HB3 H 1 2 . . . . . . . . . . . 4670 1 646 . 1 1 71 71 SER CA C 13 62.32 . . . . . . . . . . . 4670 1 647 . 1 1 71 71 SER CB C 13 62.93 . . . . . . . . . . . 4670 1 648 . 1 1 71 71 SER N N 15 126.7 . . . . . . . . . . . 4670 1 649 . 1 1 72 72 SER H H 1 9.76 . . . . . . . . . . . 4670 1 650 . 1 1 72 72 SER HA H 1 4.06 . . . . . . . . . . . 4670 1 651 . 1 1 72 72 SER HB2 H 1 3.88 . . . . . . . . . . . 4670 1 652 . 1 1 72 72 SER C C 13 177.1 . . . . . . . . . . . 4670 1 653 . 1 1 72 72 SER CA C 13 61.38 . . . . . . . . . . . 4670 1 654 . 1 1 72 72 SER CB C 13 62.93 . . . . . . . . . . . 4670 1 655 . 1 1 72 72 SER N N 15 122.8 . . . . . . . . . . . 4670 1 656 . 1 1 73 73 ALA H H 1 8.69 . . . . . . . . . . . 4670 1 657 . 1 1 73 73 ALA HA H 1 3.76 . . . . . . . . . . . 4670 1 658 . 1 1 73 73 ALA HB1 H 1 1.75 . . . . . . . . . . . 4670 1 659 . 1 1 73 73 ALA HB2 H 1 1.75 . . . . . . . . . . . 4670 1 660 . 1 1 73 73 ALA HB3 H 1 1.75 . . . . . . . . . . . 4670 1 661 . 1 1 73 73 ALA C C 13 180.5 . . . . . . . . . . . 4670 1 662 . 1 1 73 73 ALA CA C 13 56.69 . . . . . . . . . . . 4670 1 663 . 1 1 73 73 ALA CB C 13 20.15 . . . . . . . . . . . 4670 1 664 . 1 1 73 73 ALA N N 15 132.0 . . . . . . . . . . . 4670 1 665 . 1 1 74 74 LYS H H 1 6.82 . . . . . . . . . . . 4670 1 666 . 1 1 74 74 LYS HA H 1 3.94 . . . . . . . . . . . 4670 1 667 . 1 1 74 74 LYS HB2 H 1 1.82 . . . . . . . . . . . 4670 1 668 . 1 1 74 74 LYS HG2 H 1 1.56 . . . . . . . . . . . 4670 1 669 . 1 1 74 74 LYS HD2 H 1 0.98 . . . . . . . . . . . 4670 1 670 . 1 1 74 74 LYS C C 13 179.5 . . . . . . . . . . . 4670 1 671 . 1 1 74 74 LYS CA C 13 57.83 . . . . . . . . . . . 4670 1 672 . 1 1 74 74 LYS N N 15 111.1 . . . . . . . . . . . 4670 1 673 . 1 1 75 75 ARG H H 1 7.84 . . . . . . . . . . . 4670 1 674 . 1 1 75 75 ARG HA H 1 4.78 . . . . . . . . . . . 4670 1 675 . 1 1 75 75 ARG HB2 H 1 2.29 . . . . . . . . . . . 4670 1 676 . 1 1 75 75 ARG HB3 H 1 1.89 . . . . . . . . . . . 4670 1 677 . 1 1 75 75 ARG HG2 H 1 1.64 . . . . . . . . . . . 4670 1 678 . 1 1 75 75 ARG C C 13 178.1 . . . . . . . . . . . 4670 1 679 . 1 1 75 75 ARG CA C 13 54.25 . . . . . . . . . . . 4670 1 680 . 1 1 75 75 ARG CB C 13 29.95 . . . . . . . . . . . 4670 1 681 . 1 1 75 75 ARG CG C 13 27.4 . . . . . . . . . . . 4670 1 682 . 1 1 75 75 ARG CD C 13 43.65 . . . . . . . . . . . 4670 1 683 . 1 1 75 75 ARG N N 15 118.1 . . . . . . . . . . . 4670 1 684 . 1 1 76 76 GLY H H 1 8.10 . . 2 . . . . . . . . 4670 1 685 . 1 1 76 76 GLY HA2 H 1 4.03 . . . . . . . . . . . 4670 1 686 . 1 1 76 76 GLY HA3 H 1 3.73 . . . . . . . . . . . 4670 1 687 . 1 1 76 76 GLY C C 13 172.6 . . . . . . . . . . . 4670 1 688 . 1 1 76 76 GLY CA C 13 47.34 . . . . . . . . . . . 4670 1 689 . 1 1 76 76 GLY N N 15 110.1 . . . . . . . . . . . 4670 1 690 . 1 1 77 77 GLY H H 1 8.23 . . . . . . . . . . . 4670 1 691 . 1 1 77 77 GLY HA2 H 1 3.82 . . . . . . . . . . . 4670 1 692 . 1 1 77 77 GLY HA3 H 1 3.75 . . . . . . . . . . . 4670 1 693 . 1 1 77 77 GLY C C 13 172.7 . . . . . . . . . . . 4670 1 694 . 1 1 77 77 GLY CA C 13 44.56 . . . . . . . . . . . 4670 1 695 . 1 1 77 77 GLY N N 15 103.7 . . . . . . . . . . . 4670 1 696 . 1 1 78 78 ASP H H 1 6.82 . . . . . . . . . . . 4670 1 697 . 1 1 78 78 ASP HA H 1 4.87 . . . . . . . . . . . 4670 1 698 . 1 1 78 78 ASP HB2 H 1 2.82 . . . . . . . . . . . 4670 1 699 . 1 1 78 78 ASP C C 13 175.5 . . . . . . . . . . . 4670 1 700 . 1 1 78 78 ASP CA C 13 55.75 . . . . . . . . . . . 4670 1 701 . 1 1 78 78 ASP CB C 13 42.17 . . . . . . . . . . . 4670 1 702 . 1 1 78 78 ASP N N 15 117.1 . . . . . . . . . . . 4670 1 703 . 1 1 79 79 LEU H H 1 9.12 . . . . . . . . . . . 4670 1 704 . 1 1 79 79 LEU HA H 1 4.42 . . . . . . . . . . . 4670 1 705 . 1 1 79 79 LEU HB2 H 1 1.98 . . . . . . . . . . . 4670 1 706 . 1 1 79 79 LEU HB3 H 1 1.45 . . . . . . . . . . . 4670 1 707 . 1 1 79 79 LEU HG H 1 1.78 . . . . . . . . . . . 4670 1 708 . 1 1 79 79 LEU HD11 H 1 0.70 . . . . . . . . . . . 4670 1 709 . 1 1 79 79 LEU HD12 H 1 0.70 . . . . . . . . . . . 4670 1 710 . 1 1 79 79 LEU HD13 H 1 0.70 . . . . . . . . . . . 4670 1 711 . 1 1 79 79 LEU HD21 H 1 0.22 . . . . . . . . . . . 4670 1 712 . 1 1 79 79 LEU HD22 H 1 0.22 . . . . . . . . . . . 4670 1 713 . 1 1 79 79 LEU HD23 H 1 0.22 . . . . . . . . . . . 4670 1 714 . 1 1 79 79 LEU C C 13 179.5 . . . . . . . . . . . 4670 1 715 . 1 1 79 79 LEU CA C 13 54.58 . . . . . . . . . . . 4670 1 716 . 1 1 79 79 LEU CB C 13 43.80 . . . . . . . . . . . 4670 1 717 . 1 1 79 79 LEU CG C 13 26.25 . . . . . . . . . . . 4670 1 718 . 1 1 79 79 LEU CD1 C 13 22.67 . . . . . . . . . . . 4670 1 719 . 1 1 79 79 LEU CD2 C 13 26.48 . . . . . . . . . . . 4670 1 720 . 1 1 79 79 LEU N N 15 127.3 . . . . . . . . . . . 4670 1 721 . 1 1 80 80 GLY H H 1 8.80 . . . . . . . . . . . 4670 1 722 . 1 1 80 80 GLY HA2 H 1 4.21 . . . . . . . . . . . 4670 1 723 . 1 1 80 80 GLY HA3 H 1 3.72 . . . . . . . . . . . 4670 1 724 . 1 1 80 80 GLY C C 13 169.2 . . . . . . . . . . . 4670 1 725 . 1 1 80 80 GLY CA C 13 44.91 . . . . . . . . . . . 4670 1 726 . 1 1 80 80 GLY N N 15 110.5 . . . . . . . . . . . 4670 1 727 . 1 1 81 81 SER H H 1 8.09 . . . . . . . . . . . 4670 1 728 . 1 1 81 81 SER HA H 1 5.42 . . . . . . . . . . . 4670 1 729 . 1 1 81 81 SER HB2 H 1 3.85 . . . . . . . . . . . 4670 1 730 . 1 1 81 81 SER HB3 H 1 3.65 . . . . . . . . . . . 4670 1 731 . 1 1 81 81 SER HG H 1 1.10 . . . . . . . . . . . 4670 1 732 . 1 1 81 81 SER C C 13 175.5 . . . . . . . . . . . 4670 1 733 . 1 1 81 81 SER CA C 13 57.47 . . . . . . . . . . . 4670 1 734 . 1 1 81 81 SER CB C 13 64.63 . . . . . . . . . . . 4670 1 735 . 1 1 81 81 SER N N 15 112.2 . . . . . . . . . . . 4670 1 736 . 1 1 82 82 PHE H H 1 9.07 . . . . . . . . . . . 4670 1 737 . 1 1 82 82 PHE HA H 1 4.88 . . . . . . . . . . . 4670 1 738 . 1 1 82 82 PHE HB2 H 1 3.18 . . . . . . . . . . . 4670 1 739 . 1 1 82 82 PHE HB3 H 1 3.00 . . . . . . . . . . . 4670 1 740 . 1 1 82 82 PHE HD1 H 1 7.10 . . . . . . . . . . . 4670 1 741 . 1 1 82 82 PHE HD2 H 1 7.20 . . . . . . . . . . . 4670 1 742 . 1 1 82 82 PHE HE1 H 1 7.30 . . . . . . . . . . . 4670 1 743 . 1 1 82 82 PHE C C 13 170.0 . . . . . . . . . . . 4670 1 744 . 1 1 82 82 PHE CA C 13 56.52 . . . . . . . . . . . 4670 1 745 . 1 1 82 82 PHE CB C 13 40.53 . . . . . . . . . . . 4670 1 746 . 1 1 82 82 PHE CD1 C 13 118.5 . . . . . . . . . . . 4670 1 747 . 1 1 82 82 PHE CD2 C 13 120.0 . . . . . . . . . . . 4670 1 748 . 1 1 82 82 PHE CE1 C 13 125.5 . . . . . . . . . . . 4670 1 749 . 1 1 82 82 PHE N N 15 120.6 . . . . . . . . . . . 4670 1 750 . 1 1 83 83 GLY H H 1 8.20 . . . . . . . . . . . 4670 1 751 . 1 1 83 83 GLY HA2 H 1 5.26 . . . . . . . . . . . 4670 1 752 . 1 1 83 83 GLY HA3 H 1 3.82 . . . . . . . . . . . 4670 1 753 . 1 1 83 83 GLY C C 13 174.7 . . . . . . . . . . . 4670 1 754 . 1 1 83 83 GLY CA C 13 43.16 . . . . . . . . . . . 4670 1 755 . 1 1 83 83 GLY N N 15 105.3 . . . . . . . . . . . 4670 1 756 . 1 1 84 84 ARG H H 1 8.73 . . . . . . . . . . . 4670 1 757 . 1 1 84 84 ARG HA H 1 4.05 . . . . . . . . . . . 4670 1 758 . 1 1 84 84 ARG HB3 H 1 1.80 . . . . . . . . . . . 4670 1 759 . 1 1 84 84 ARG HG2 H 1 1.74 . . . . . . . . . . . 4670 1 760 . 1 1 84 84 ARG HG3 H 1 1.42 . . . . . . . . . . . 4670 1 761 . 1 1 84 84 ARG HD2 H 1 2.85 . . . . . . . . . . . 4670 1 762 . 1 1 84 84 ARG HD3 H 1 2.70 . . . . . . . . . . . 4670 1 763 . 1 1 84 84 ARG C C 13 179.7 . . . . . . . . . . . 4670 1 764 . 1 1 84 84 ARG CA C 13 57.11 . . . . . . . . . . . 4670 1 765 . 1 1 84 84 ARG CB C 13 30.37 . . . . . . . . . . . 4670 1 766 . 1 1 84 84 ARG CG C 13 24.3 . . . . . . . . . . . 4670 1 767 . 1 1 84 84 ARG CD C 13 43.44 . . . . . . . . . . . 4670 1 768 . 1 1 84 84 ARG N N 15 119.4 . . . . . . . . . . . 4670 1 769 . 1 1 85 85 GLY H H 1 9.85 . . . . . . . . . . . 4670 1 770 . 1 1 85 85 GLY HA2 H 1 4.27 . . . . . . . . . . . 4670 1 771 . 1 1 85 85 GLY HA3 H 1 3.89 . . . . . . . . . . . 4670 1 772 . 1 1 85 85 GLY C C 13 173.0 . . . . . . . . . . . 4670 1 773 . 1 1 85 85 GLY CA C 13 45.73 . . . . . . . . . . . 4670 1 774 . 1 1 85 85 GLY N N 15 111.2 . . . . . . . . . . . 4670 1 775 . 1 1 86 86 GLN H H 1 7.78 . . . . . . . . . . . 4670 1 776 . 1 1 86 86 GLN HA H 1 4.35 . . . . . . . . . . . 4670 1 777 . 1 1 86 86 GLN HB2 H 1 2.20 . . . . . . . . . . . 4670 1 778 . 1 1 86 86 GLN HB3 H 1 2.11 . . . . . . . . . . . 4670 1 779 . 1 1 86 86 GLN HG2 H 1 2.34 . . . . . . . . . . . 4670 1 780 . 1 1 86 86 GLN HG3 H 1 2.31 . . . . . . . . . . . 4670 1 781 . 1 1 86 86 GLN C C 13 176.4 . . . . . . . . . . . 4670 1 782 . 1 1 86 86 GLN CA C 13 58.11 . . . . . . . . . . . 4670 1 783 . 1 1 86 86 GLN CB C 13 31.61 . . . . . . . . . . . 4670 1 784 . 1 1 86 86 GLN CG C 13 35.00 . . . . . . . . . . . 4670 1 785 . 1 1 86 86 GLN N N 15 118.5 . . . . . . . . . . . 4670 1 786 . 1 1 87 87 MET H H 1 9.17 . . . . . . . . . . . 4670 1 787 . 1 1 87 87 MET HA H 1 4.56 . . . . . . . . . . . 4670 1 788 . 1 1 87 87 MET HB2 H 1 1.80 . . . . . . . . . . . 4670 1 789 . 1 1 87 87 MET HB3 H 1 1.60 . . . . . . . . . . . 4670 1 790 . 1 1 87 87 MET HE1 H 1 1.10 . . . . . . . . . . . 4670 1 791 . 1 1 87 87 MET HE2 H 1 1.10 . . . . . . . . . . . 4670 1 792 . 1 1 87 87 MET HE3 H 1 1.10 . . . . . . . . . . . 4670 1 793 . 1 1 87 87 MET C C 13 175.5 . . . . . . . . . . . 4670 1 794 . 1 1 87 87 MET CA C 13 51.95 . . . . . . . . . . . 4670 1 795 . 1 1 87 87 MET CB C 13 32.92 . . . . . . . . . . . 4670 1 796 . 1 1 87 87 MET CE C 13 17.36 . . . . . . . . . . . 4670 1 797 . 1 1 87 87 MET N N 15 117.3 . . . . . . . . . . . 4670 1 798 . 1 1 88 88 GLN H H 1 8.63 . . . . . . . . . . . 4670 1 799 . 1 1 88 88 GLN HA H 1 4.18 . . . . . . . . . . . 4670 1 800 . 1 1 88 88 GLN HB2 H 1 2.27 . . . . . . . . . . . 4670 1 801 . 1 1 88 88 GLN HB3 H 1 1.94 . . . . . . . . . . . 4670 1 802 . 1 1 88 88 GLN HG2 H 1 2.62 . . . . . . . . . . . 4670 1 803 . 1 1 88 88 GLN C C 13 179.4 . . . . . . . . . . . 4670 1 804 . 1 1 88 88 GLN CA C 13 57.32 . . . . . . . . . . . 4670 1 805 . 1 1 88 88 GLN CB C 13 29.73 . . . . . . . . . . . 4670 1 806 . 1 1 88 88 GLN CG C 13 34.95 . . . . . . . . . . . 4670 1 807 . 1 1 88 88 GLN N N 15 118.6 . . . . . . . . . . . 4670 1 808 . 1 1 89 89 LYS H H 1 9.24 . . . . . . . . . . . 4670 1 809 . 1 1 89 89 LYS HA H 1 4.30 . . . . . . . . . . . 4670 1 810 . 1 1 89 89 LYS HB2 H 1 2.50 . . . . . . . . . . . 4670 1 811 . 1 1 89 89 LYS HB3 H 1 2.32 . . . . . . . . . . . 4670 1 812 . 1 1 89 89 LYS HG2 H 1 1.75 . . . . . . . . . . . 4670 1 813 . 1 1 89 89 LYS HG3 H 1 1.50 . . . . . . . . . . . 4670 1 814 . 1 1 89 89 LYS HD2 H 1 2.04 . . . . . . . . . . . 4670 1 815 . 1 1 89 89 LYS HD3 H 1 1.98 . . . . . . . . . . . 4670 1 816 . 1 1 89 89 LYS HE2 H 1 3.00 . . . . . . . . . . . 4670 1 817 . 1 1 89 89 LYS C C 13 173.1 . . . . . . . . . . . 4670 1 818 . 1 1 89 89 LYS CA C 13 61.41 . . . . . . . . . . . 4670 1 819 . 1 1 89 89 LYS CB C 13 29.79 . . . . . . . . . . . 4670 1 820 . 1 1 89 89 LYS CG C 13 24.86 . . . . . . . . . . . 4670 1 821 . 1 1 89 89 LYS CD C 13 29.83 . . . . . . . . . . . 4670 1 822 . 1 1 89 89 LYS N N 15 125.6 . . . . . . . . . . . 4670 1 823 . 1 1 90 90 PRO HA H 1 4.20 . . . . . . . . . . . 4670 1 824 . 1 1 90 90 PRO HB2 H 1 2.60 . . . . . . . . . . . 4670 1 825 . 1 1 90 90 PRO HB3 H 1 2.70 . . . . . . . . . . . 4670 1 826 . 1 1 90 90 PRO HG2 H 1 2.18 . . . . . . . . . . . 4670 1 827 . 1 1 90 90 PRO HG3 H 1 2.00 . . . . . . . . . . . 4670 1 828 . 1 1 90 90 PRO HD2 H 1 3.91 . . . . . . . . . . . 4670 1 829 . 1 1 90 90 PRO HD3 H 1 3.62 . . . . . . . . . . . 4670 1 830 . 1 1 90 90 PRO C C 13 182.0 . . . . . . . . . . . 4670 1 831 . 1 1 90 90 PRO CA C 13 65.70 . . . . . . . . . . . 4670 1 832 . 1 1 90 90 PRO CB C 13 31.80 . . . . . . . . . . . 4670 1 833 . 1 1 90 90 PRO CG C 13 29.09 . . . . . . . . . . . 4670 1 834 . 1 1 90 90 PRO CD C 13 50.22 . . . . . . . . . . . 4670 1 835 . 1 1 91 91 PHE H H 1 7.09 . . . . . . . . . . . 4670 1 836 . 1 1 91 91 PHE HA H 1 3.65 . . . . . . . . . . . 4670 1 837 . 1 1 91 91 PHE HB2 H 1 3.43 . . . . . . . . . . . 4670 1 838 . 1 1 91 91 PHE HB3 H 1 2.36 . . . . . . . . . . . 4670 1 839 . 1 1 91 91 PHE HD1 H 1 6.18 . . . . . . . . . . . 4670 1 840 . 1 1 91 91 PHE HE1 H 1 6.60 . . . . . . . . . . . 4670 1 841 . 1 1 91 91 PHE HZ H 1 7.05 . . . . . . . . . . . 4670 1 842 . 1 1 91 91 PHE C C 13 179.1 . . . . . . . . . . . 4670 1 843 . 1 1 91 91 PHE CA C 13 60.32 . . . . . . . . . . . 4670 1 844 . 1 1 91 91 PHE CB C 13 40.59 . . . . . . . . . . . 4670 1 845 . 1 1 91 91 PHE N N 15 116.7 . . . . . . . . . . . 4670 1 846 . 1 1 92 92 GLU H H 1 8.63 . . . . . . . . . . . 4670 1 847 . 1 1 92 92 GLU HA H 1 3.97 . . . . . . . . . . . 4670 1 848 . 1 1 92 92 GLU HB2 H 1 2.05 . . . . . . . . . . . 4670 1 849 . 1 1 92 92 GLU HG2 H 1 2.52 . . . . . . . . . . . 4670 1 850 . 1 1 92 92 GLU HG3 H 1 2.35 . . . . . . . . . . . 4670 1 851 . 1 1 92 92 GLU C C 13 178.6 . . . . . . . . . . . 4670 1 852 . 1 1 92 92 GLU CA C 13 61.01 . . . . . . . . . . . 4670 1 853 . 1 1 92 92 GLU CB C 13 31.22 . . . . . . . . . . . 4670 1 854 . 1 1 92 92 GLU CG C 13 37.9 . . . . . . . . . . . 4670 1 855 . 1 1 92 92 GLU N N 15 122.2 . . . . . . . . . . . 4670 1 856 . 1 1 93 93 GLU H H 1 9.08 . . . . . . . . . . . 4670 1 857 . 1 1 93 93 GLU HA H 1 4.01 . . . . . . . . . . . 4670 1 858 . 1 1 93 93 GLU HB2 H 1 2.04 . . . . . . . . . . . 4670 1 859 . 1 1 93 93 GLU HG2 H 1 2.52 . . . . . . . . . . . 4670 1 860 . 1 1 93 93 GLU HG3 H 1 2.30 . . . . . . . . . . . 4670 1 861 . 1 1 93 93 GLU C C 13 181.3 . . . . . . . . . . . 4670 1 862 . 1 1 93 93 GLU CA C 13 59.66 . . . . . . . . . . . 4670 1 863 . 1 1 93 93 GLU CB C 13 29.51 . . . . . . . . . . . 4670 1 864 . 1 1 93 93 GLU CG C 13 36.78 . . . . . . . . . . . 4670 1 865 . 1 1 93 93 GLU N N 15 116.4 . . . . . . . . . . . 4670 1 866 . 1 1 94 94 ALA H H 1 7.39 . . . . . . . . . . . 4670 1 867 . 1 1 94 94 ALA HA H 1 4.18 . . . . . . . . . . . 4670 1 868 . 1 1 94 94 ALA HB1 H 1 1.37 . . . . . . . . . . . 4670 1 869 . 1 1 94 94 ALA HB2 H 1 1.37 . . . . . . . . . . . 4670 1 870 . 1 1 94 94 ALA HB3 H 1 1.37 . . . . . . . . . . . 4670 1 871 . 1 1 94 94 ALA C C 13 181.4 . . . . . . . . . . . 4670 1 872 . 1 1 94 94 ALA CA C 13 54.50 . . . . . . . . . . . 4670 1 873 . 1 1 94 94 ALA CB C 13 19.60 . . . . . . . . . . . 4670 1 874 . 1 1 94 94 ALA N N 15 117.8 . . . . . . . . . . . 4670 1 875 . 1 1 95 95 THR H H 1 7.76 . . . . . . . . . . . 4670 1 876 . 1 1 95 95 THR HA H 1 3.65 . . . . . . . . . . . 4670 1 877 . 1 1 95 95 THR HB H 1 4.22 . . . . . . . . . . . 4670 1 878 . 1 1 95 95 THR HG21 H 1 0.94 . . . . . . . . . . . 4670 1 879 . 1 1 95 95 THR HG22 H 1 0.94 . . . . . . . . . . . 4670 1 880 . 1 1 95 95 THR HG23 H 1 0.94 . . . . . . . . . . . 4670 1 881 . 1 1 95 95 THR CA C 13 68.18 . . . . . . . . . . . 4670 1 882 . 1 1 95 95 THR CB C 13 68.25 . . . . . . . . . . . 4670 1 883 . 1 1 95 95 THR N N 15 112.7 . . . . . . . . . . . 4670 1 884 . 1 1 96 96 TYR H H 1 8.30 . . . . . . . . . . . 4670 1 885 . 1 1 96 96 TYR HA H 1 3.87 . . . . . . . . . . . 4670 1 886 . 1 1 96 96 TYR HB2 H 1 2.99 . . . . . . . . . . . 4670 1 887 . 1 1 96 96 TYR HB3 H 1 2.84 . . . . . . . . . . . 4670 1 888 . 1 1 96 96 TYR HD1 H 1 7.32 . . . . . . . . . . . 4670 1 889 . 1 1 96 96 TYR HE1 H 1 6.52 . . . . . . . . . . . 4670 1 890 . 1 1 96 96 TYR C C 13 176.6 . . . . . . . . . . . 4670 1 891 . 1 1 96 96 TYR CA C 13 62.46 . . . . . . . . . . . 4670 1 892 . 1 1 96 96 TYR CB C 13 38.09 . . . . . . . . . . . 4670 1 893 . 1 1 96 96 TYR N N 15 116.8 . . . . . . . . . . . 4670 1 894 . 1 1 97 97 ALA H H 1 7.04 . . . . . . . . . . . 4670 1 895 . 1 1 97 97 ALA HA H 1 4.36 . . . . . . . . . . . 4670 1 896 . 1 1 97 97 ALA HB1 H 1 1.50 . . . . . . . . . . . 4670 1 897 . 1 1 97 97 ALA HB2 H 1 1.50 . . . . . . . . . . . 4670 1 898 . 1 1 97 97 ALA HB3 H 1 1.50 . . . . . . . . . . . 4670 1 899 . 1 1 97 97 ALA C C 13 178.6 . . . . . . . . . . . 4670 1 900 . 1 1 97 97 ALA CA C 13 52.59 . . . . . . . . . . . 4670 1 901 . 1 1 97 97 ALA CB C 13 19.35 . . . . . . . . . . . 4670 1 902 . 1 1 97 97 ALA N N 15 117.6 . . . . . . . . . . . 4670 1 903 . 1 1 98 98 LEU H H 1 7.20 . . . . . . . . . . . 4670 1 904 . 1 1 98 98 LEU HA H 1 4.42 . . . . . . . . . . . 4670 1 905 . 1 1 98 98 LEU HB2 H 1 1.95 . . . . . . . . . . . 4670 1 906 . 1 1 98 98 LEU HB3 H 1 1.70 . . . . . . . . . . . 4670 1 907 . 1 1 98 98 LEU HG H 1 1.75 . . . . . . . . . . . 4670 1 908 . 1 1 98 98 LEU HD11 H 1 0.90 . . . . . . . . . . . 4670 1 909 . 1 1 98 98 LEU HD12 H 1 0.90 . . . . . . . . . . . 4670 1 910 . 1 1 98 98 LEU HD13 H 1 0.90 . . . . . . . . . . . 4670 1 911 . 1 1 98 98 LEU HD21 H 1 0.74 . . . . . . . . . . . 4670 1 912 . 1 1 98 98 LEU HD22 H 1 0.74 . . . . . . . . . . . 4670 1 913 . 1 1 98 98 LEU HD23 H 1 0.74 . . . . . . . . . . . 4670 1 914 . 1 1 98 98 LEU C C 13 178.9 . . . . . . . . . . . 4670 1 915 . 1 1 98 98 LEU CA C 13 54.51 . . . . . . . . . . . 4670 1 916 . 1 1 98 98 LEU CB C 13 43.00 . . . . . . . . . . . 4670 1 917 . 1 1 98 98 LEU CG C 13 25.8 . . . . . . . . . . . 4670 1 918 . 1 1 98 98 LEU N N 15 119.3 . . . . . . . . . . . 4670 1 919 . 1 1 99 99 LYS H H 1 8.35 . . . . . . . . . . . 4670 1 920 . 1 1 99 99 LYS HA H 1 4.40 . . . . . . . . . . . 4670 1 921 . 1 1 99 99 LYS HB2 H 1 1.87 . . . . . . . . . . . 4670 1 922 . 1 1 99 99 LYS HB3 H 1 1.76 . . . . . . . . . . . 4670 1 923 . 1 1 99 99 LYS HG2 H 1 1.62 . . . . . . . . . . . 4670 1 924 . 1 1 99 99 LYS HG3 H 1 1.52 . . . . . . . . . . . 4670 1 925 . 1 1 99 99 LYS HD2 H 1 3.00 . . . . . . . . . . . 4670 1 926 . 1 1 99 99 LYS C C 13 178.2 . . . . . . . . . . . 4670 1 927 . 1 1 99 99 LYS CA C 13 55.17 . . . . . . . . . . . 4670 1 928 . 1 1 99 99 LYS CB C 13 32.24 . . . . . . . . . . . 4670 1 929 . 1 1 99 99 LYS N N 15 120.2 . . . . . . . . . . . 4670 1 930 . 1 1 100 100 VAL H H 1 8.51 . . . . . . . . . . . 4670 1 931 . 1 1 100 100 VAL HA H 1 3.05 . . . . . . . . . . . 4670 1 932 . 1 1 100 100 VAL HB H 1 1.78 . . . . . . . . . . . 4670 1 933 . 1 1 100 100 VAL HG11 H 1 0.77 . . . . . . . . . . . 4670 1 934 . 1 1 100 100 VAL HG12 H 1 0.77 . . . . . . . . . . . 4670 1 935 . 1 1 100 100 VAL HG13 H 1 0.77 . . . . . . . . . . . 4670 1 936 . 1 1 100 100 VAL HG21 H 1 0.70 . . . . . . . . . . . 4670 1 937 . 1 1 100 100 VAL HG22 H 1 0.70 . . . . . . . . . . . 4670 1 938 . 1 1 100 100 VAL HG23 H 1 0.70 . . . . . . . . . . . 4670 1 939 . 1 1 100 100 VAL C C 13 177.9 . . . . . . . . . . . 4670 1 940 . 1 1 100 100 VAL CA C 13 66.73 . . . . . . . . . . . 4670 1 941 . 1 1 100 100 VAL CB C 13 30.52 . . . . . . . . . . . 4670 1 942 . 1 1 100 100 VAL CG1 C 13 22.74 . . . . . . . . . . . 4670 1 943 . 1 1 100 100 VAL CG2 C 13 21.05 . . . . . . . . . . . 4670 1 944 . 1 1 100 100 VAL N N 15 121.4 . . . . . . . . . . . 4670 1 945 . 1 1 101 101 GLY H H 1 9.17 . . . . . . . . . . . 4670 1 946 . 1 1 101 101 GLY HA2 H 1 4.44 . . . . . . . . . . . 4670 1 947 . 1 1 101 101 GLY HA3 H 1 3.52 . . . . . . . . . . . 4670 1 948 . 1 1 101 101 GLY C C 13 172.3 . . . . . . . . . . . 4670 1 949 . 1 1 101 101 GLY CA C 13 44.82 . . . . . . . . . . . 4670 1 950 . 1 1 101 101 GLY N N 15 125.8 . . . . . . . . . . . 4670 1 951 . 1 1 102 102 ASP H H 1 8.09 . . . . . . . . . . . 4670 1 952 . 1 1 102 102 ASP HA H 1 4.79 . . . . . . . . . . . 4670 1 953 . 1 1 102 102 ASP HB2 H 1 3.02 . . . . . . . . . . . 4670 1 954 . 1 1 102 102 ASP HB3 H 1 2.68 . . . . . . . . . . . 4670 1 955 . 1 1 102 102 ASP C C 13 173.0 . . . . . . . . . . . 4670 1 956 . 1 1 102 102 ASP CA C 13 53.95 . . . . . . . . . . . 4670 1 957 . 1 1 102 102 ASP CB C 13 43.00 . . . . . . . . . . . 4670 1 958 . 1 1 102 102 ASP N N 15 120.8 . . . . . . . . . . . 4670 1 959 . 1 1 103 103 ILE H H 1 8.23 . . . . . . . . . . . 4670 1 960 . 1 1 103 103 ILE HA H 1 5.24 . . . . . . . . . . . 4670 1 961 . 1 1 103 103 ILE HB H 1 1.62 . . . . . . . . . . . 4670 1 962 . 1 1 103 103 ILE HG12 H 1 0.95 . . . . . . . . . . . 4670 1 963 . 1 1 103 103 ILE HG13 H 1 0.85 . . . . . . . . . . . 4670 1 964 . 1 1 103 103 ILE HG21 H 1 1.20 . . . . . . . . . . . 4670 1 965 . 1 1 103 103 ILE HG22 H 1 1.20 . . . . . . . . . . . 4670 1 966 . 1 1 103 103 ILE HG23 H 1 1.20 . . . . . . . . . . . 4670 1 967 . 1 1 103 103 ILE HD11 H 1 1.05 . . . . . . . . . . . 4670 1 968 . 1 1 103 103 ILE HD12 H 1 1.05 . . . . . . . . . . . 4670 1 969 . 1 1 103 103 ILE HD13 H 1 1.05 . . . . . . . . . . . 4670 1 970 . 1 1 103 103 ILE C C 13 179.3 . . . . . . . . . . . 4670 1 971 . 1 1 103 103 ILE CA C 13 58.81 . . . . . . . . . . . 4670 1 972 . 1 1 103 103 ILE CB C 13 39.71 . . . . . . . . . . . 4670 1 973 . 1 1 103 103 ILE CG1 C 13 28.40 . . . . . . . . . . . 4670 1 974 . 1 1 103 103 ILE CG2 C 13 18.15 . . . . . . . . . . . 4670 1 975 . 1 1 103 103 ILE CD1 C 13 14.02 . . . . . . . . . . . 4670 1 976 . 1 1 103 103 ILE N N 15 115.9 . . . . . . . . . . . 4670 1 977 . 1 1 104 104 SER H H 1 10.02 . . . . . . . . . . . 4670 1 978 . 1 1 104 104 SER HA H 1 4.33 . . . . . . . . . . . 4670 1 979 . 1 1 104 104 SER HB2 H 1 4.44 . . . . . . . . . . . 4670 1 980 . 1 1 104 104 SER HB3 H 1 3.87 . . . . . . . . . . . 4670 1 981 . 1 1 104 104 SER C C 13 173.5 . . . . . . . . . . . 4670 1 982 . 1 1 104 104 SER CA C 13 59.84 . . . . . . . . . . . 4670 1 983 . 1 1 104 104 SER CB C 13 65.08 . . . . . . . . . . . 4670 1 984 . 1 1 104 104 SER N N 15 125.6 . . . . . . . . . . . 4670 1 985 . 1 1 105 105 ASP H H 1 8.31 . . . . . . . . . . . 4670 1 986 . 1 1 105 105 ASP HA H 1 4.75 . . . . . . . . . . . 4670 1 987 . 1 1 105 105 ASP HB2 H 1 2.90 . . . . . . . . . . . 4670 1 988 . 1 1 105 105 ASP HB3 H 1 2.63 . . . . . . . . . . . 4670 1 989 . 1 1 105 105 ASP C C 13 174.6 . . . . . . . . . . . 4670 1 990 . 1 1 105 105 ASP CA C 13 53.43 . . . . . . . . . . . 4670 1 991 . 1 1 105 105 ASP CB C 13 41.73 . . . . . . . . . . . 4670 1 992 . 1 1 105 105 ASP N N 15 117.8 . . . . . . . . . . . 4670 1 993 . 1 1 106 106 ILE H H 1 8.98 . . . . . . . . . . . 4670 1 994 . 1 1 106 106 ILE HA H 1 4.26 . . . . . . . . . . . 4670 1 995 . 1 1 106 106 ILE HB H 1 1.96 . . . . . . . . . . . 4670 1 996 . 1 1 106 106 ILE HG12 H 1 1.50 . . . . . . . . . . . 4670 1 997 . 1 1 106 106 ILE HG13 H 1 0.92 . . . . . . . . . . . 4670 1 998 . 1 1 106 106 ILE HG21 H 1 0.77 . . . . . . . . . . . 4670 1 999 . 1 1 106 106 ILE HG22 H 1 0.77 . . . . . . . . . . . 4670 1 1000 . 1 1 106 106 ILE HG23 H 1 0.77 . . . . . . . . . . . 4670 1 1001 . 1 1 106 106 ILE HD11 H 1 1.02 . . . . . . . . . . . 4670 1 1002 . 1 1 106 106 ILE HD12 H 1 1.02 . . . . . . . . . . . 4670 1 1003 . 1 1 106 106 ILE HD13 H 1 1.02 . . . . . . . . . . . 4670 1 1004 . 1 1 106 106 ILE C C 13 177.4 . . . . . . . . . . . 4670 1 1005 . 1 1 106 106 ILE CA C 13 62.24 . . . . . . . . . . . 4670 1 1006 . 1 1 106 106 ILE CB C 13 36.47 . . . . . . . . . . . 4670 1 1007 . 1 1 106 106 ILE CG1 C 13 28.90 . . . . . . . . . . . 4670 1 1008 . 1 1 106 106 ILE N N 15 119.4 . . . . . . . . . . . 4670 1 1009 . 1 1 107 107 VAL H H 1 9.29 . . . . . . . . . . . 4670 1 1010 . 1 1 107 107 VAL HA H 1 4.38 . . . . . . . . . . . 4670 1 1011 . 1 1 107 107 VAL HB H 1 1.73 . . . . . . . . . . . 4670 1 1012 . 1 1 107 107 VAL HG11 H 1 0.87 . . . . . . . . . . . 4670 1 1013 . 1 1 107 107 VAL HG12 H 1 0.87 . . . . . . . . . . . 4670 1 1014 . 1 1 107 107 VAL HG13 H 1 0.87 . . . . . . . . . . . 4670 1 1015 . 1 1 107 107 VAL HG21 H 1 0.70 . . . . . . . . . . . 4670 1 1016 . 1 1 107 107 VAL HG22 H 1 0.70 . . . . . . . . . . . 4670 1 1017 . 1 1 107 107 VAL HG23 H 1 0.70 . . . . . . . . . . . 4670 1 1018 . 1 1 107 107 VAL C C 13 174.1 . . . . . . . . . . . 4670 1 1019 . 1 1 107 107 VAL CA C 13 61.08 . . . . . . . . . . . 4670 1 1020 . 1 1 107 107 VAL CB C 13 36.12 . . . . . . . . . . . 4670 1 1021 . 1 1 107 107 VAL CG1 C 13 21.11 . . . . . . . . . . . 4670 1 1022 . 1 1 107 107 VAL CG2 C 13 21.05 . . . . . . . . . . . 4670 1 1023 . 1 1 107 107 VAL N N 15 130.2 . . . . . . . . . . . 4670 1 1024 . 1 1 108 108 ASP H H 1 8.80 . . . . . . . . . . . 4670 1 1025 . 1 1 108 108 ASP HA H 1 5.48 . . . . . . . . . . . 4670 1 1026 . 1 1 108 108 ASP HB2 H 1 2.63 . . . . . . . . . . . 4670 1 1027 . 1 1 108 108 ASP HB3 H 1 2.51 . . . . . . . . . . . 4670 1 1028 . 1 1 108 108 ASP C C 13 176.2 . . . . . . . . . . . 4670 1 1029 . 1 1 108 108 ASP CA C 13 54.29 . . . . . . . . . . . 4670 1 1030 . 1 1 108 108 ASP CB C 13 44.21 . . . . . . . . . . . 4670 1 1031 . 1 1 108 108 ASP N N 15 126.3 . . . . . . . . . . . 4670 1 1032 . 1 1 109 109 THR H H 1 9.01 . . . . . . . . . . . 4670 1 1033 . 1 1 109 109 THR HA H 1 4.84 . . . . . . . . . . . 4670 1 1034 . 1 1 109 109 THR HB H 1 4.78 . . . . . . . . . . . 4670 1 1035 . 1 1 109 109 THR HG21 H 1 1.2 . . . . . . . . . . . 4670 1 1036 . 1 1 109 109 THR HG22 H 1 1.2 . . . . . . . . . . . 4670 1 1037 . 1 1 109 109 THR HG23 H 1 1.2 . . . . . . . . . . . 4670 1 1038 . 1 1 109 109 THR C C 13 175.3 . . . . . . . . . . . 4670 1 1039 . 1 1 109 109 THR CA C 13 61.21 . . . . . . . . . . . 4670 1 1040 . 1 1 109 109 THR N N 15 110.0 . . . . . . . . . . . 4670 1 1041 . 1 1 110 110 ASP H H 1 9.07 . . . . . . . . . . . 4670 1 1042 . 1 1 110 110 ASP HA H 1 4.62 . . . . . . . . . . . 4670 1 1043 . 1 1 110 110 ASP HB2 H 1 2.90 . . . . . . . . . . . 4670 1 1044 . 1 1 110 110 ASP HB3 H 1 2.80 . . . . . . . . . . . 4670 1 1045 . 1 1 110 110 ASP C C 13 179.0 . . . . . . . . . . . 4670 1 1046 . 1 1 110 110 ASP CA C 13 56.09 . . . . . . . . . . . 4670 1 1047 . 1 1 110 110 ASP CB C 13 40.27 . . . . . . . . . . . 4670 1 1048 . 1 1 110 110 ASP N N 15 117.8 . . . . . . . . . . . 4670 1 1049 . 1 1 111 111 SER H H 1 8.98 . . . . . . . . . . . 4670 1 1050 . 1 1 111 111 SER HA H 1 4.86 . . . . . . . . . . . 4670 1 1051 . 1 1 111 111 SER HB2 H 1 3.91 . . . . . . . . . . . 4670 1 1052 . 1 1 111 111 SER C C 13 174.6 . . . . . . . . . . . 4670 1 1053 . 1 1 111 111 SER CA C 13 60.36 . . . . . . . . . . . 4670 1 1054 . 1 1 111 111 SER CB C 13 64.00 . . . . . . . . . . . 4670 1 1055 . 1 1 111 111 SER N N 15 113.8 . . . . . . . . . . . 4670 1 1056 . 1 1 112 112 GLY H H 1 7.65 . . . . . . . . . . . 4670 1 1057 . 1 1 112 112 GLY HA2 H 1 4.13 . . . . . . . . . . . 4670 1 1058 . 1 1 112 112 GLY HA3 H 1 3.44 . . . . . . . . . . . 4670 1 1059 . 1 1 112 112 GLY C C 13 167.3 . . . . . . . . . . . 4670 1 1060 . 1 1 112 112 GLY CA C 13 45.36 . . . . . . . . . . . 4670 1 1061 . 1 1 112 112 GLY N N 15 109.8 . . . . . . . . . . . 4670 1 1062 . 1 1 113 113 VAL H H 1 8.10 . . . . . . . . . . . 4670 1 1063 . 1 1 113 113 VAL HA H 1 5.72 . . . . . . . . . . . 4670 1 1064 . 1 1 113 113 VAL HB H 1 1.98 . . . . . . . . . . . 4670 1 1065 . 1 1 113 113 VAL HG11 H 1 1.00 . . . . . . . . . . . 4670 1 1066 . 1 1 113 113 VAL HG12 H 1 1.00 . . . . . . . . . . . 4670 1 1067 . 1 1 113 113 VAL HG13 H 1 1.00 . . . . . . . . . . . 4670 1 1068 . 1 1 113 113 VAL HG21 H 1 0.92 . . . . . . . . . . . 4670 1 1069 . 1 1 113 113 VAL HG22 H 1 0.92 . . . . . . . . . . . 4670 1 1070 . 1 1 113 113 VAL HG23 H 1 0.92 . . . . . . . . . . . 4670 1 1071 . 1 1 113 113 VAL C C 13 173.5 . . . . . . . . . . . 4670 1 1072 . 1 1 113 113 VAL CA C 13 59.02 . . . . . . . . . . . 4670 1 1073 . 1 1 113 113 VAL CB C 13 33.96 . . . . . . . . . . . 4670 1 1074 . 1 1 113 113 VAL CG1 C 13 23.61 . . . . . . . . . . . 4670 1 1075 . 1 1 113 113 VAL CG2 C 13 20.95 . . . . . . . . . . . 4670 1 1076 . 1 1 113 113 VAL N N 15 113.9 . . . . . . . . . . . 4670 1 1077 . 1 1 114 114 HIS H H 1 9.48 . . . . . . . . . . . 4670 1 1078 . 1 1 114 114 HIS HA H 1 6.35 . . . . . . . . . . . 4670 1 1079 . 1 1 114 114 HIS HB2 H 1 3.16 . . . . . . . . . . . 4670 1 1080 . 1 1 114 114 HIS HB3 H 1 2.80 . . . . . . . . . . . 4670 1 1081 . 1 1 114 114 HIS HD2 H 1 7.25 . . . . . . . . . . . 4670 1 1082 . 1 1 114 114 HIS HE1 H 1 7.85 . . . . . . . . . . . 4670 1 1083 . 1 1 114 114 HIS C C 13 179.8 . . . . . . . . . . . 4670 1 1084 . 1 1 114 114 HIS CA C 13 54.22 . . . . . . . . . . . 4670 1 1085 . 1 1 114 114 HIS CB C 13 32.98 . . . . . . . . . . . 4670 1 1086 . 1 1 114 114 HIS N N 15 117.4 . . . . . . . . . . . 4670 1 1087 . 1 1 115 115 ILE H H 1 8.10 . . . . . . . . . . . 4670 1 1088 . 1 1 115 115 ILE HA H 1 4.46 . . . . . . . . . . . 4670 1 1089 . 1 1 115 115 ILE HB H 1 1.82 . . . . . . . . . . . 4670 1 1090 . 1 1 115 115 ILE C C 13 173.7 . . . . . . . . . . . 4670 1 1091 . 1 1 115 115 ILE CA C 13 62.55 . . . . . . . . . . . 4670 1 1092 . 1 1 115 115 ILE CB C 13 41.85 . . . . . . . . . . . 4670 1 1093 . 1 1 115 115 ILE N N 15 110.1 . . . . . . . . . . . 4670 1 1094 . 1 1 116 116 ILE H H 1 8.76 . . . . . . . . . . . 4670 1 1095 . 1 1 116 116 ILE HA H 1 4.80 . . . . . . . . . . . 4670 1 1096 . 1 1 116 116 ILE HB H 1 1.23 . . . . . . . . . . . 4670 1 1097 . 1 1 116 116 ILE HG12 H 1 0.90 . . . . . . . . . . . 4670 1 1098 . 1 1 116 116 ILE HG13 H 1 0.44 . . . . . . . . . . . 4670 1 1099 . 1 1 116 116 ILE HG21 H 1 0.75 . . . . . . . . . . . 4670 1 1100 . 1 1 116 116 ILE HG22 H 1 0.75 . . . . . . . . . . . 4670 1 1101 . 1 1 116 116 ILE HG23 H 1 0.75 . . . . . . . . . . . 4670 1 1102 . 1 1 116 116 ILE C C 13 172.4 . . . . . . . . . . . 4670 1 1103 . 1 1 116 116 ILE CA C 13 60.60 . . . . . . . . . . . 4670 1 1104 . 1 1 116 116 ILE CB C 13 43.20 . . . . . . . . . . . 4670 1 1105 . 1 1 116 116 ILE CG1 C 13 27.97 . . . . . . . . . . . 4670 1 1106 . 1 1 116 116 ILE CG2 C 13 17.61 . . . . . . . . . . . 4670 1 1107 . 1 1 116 116 ILE CD1 C 13 14.70 . . . . . . . . . . . 4670 1 1108 . 1 1 116 116 ILE N N 15 123.5 . . . . . . . . . . . 4670 1 1109 . 1 1 117 117 LYS H H 1 9.19 . . . . . . . . . . . 4670 1 1110 . 1 1 117 117 LYS HA H 1 5.27 . . . . . . . . . . . 4670 1 1111 . 1 1 117 117 LYS HB2 H 1 1.18 . . . . . . . . . . . 4670 1 1112 . 1 1 117 117 LYS HB3 H 1 0.78 . . . . . . . . . . . 4670 1 1113 . 1 1 117 117 LYS HG2 H 1 0.97 . . . . . . . . . . . 4670 1 1114 . 1 1 117 117 LYS HD2 H 1 0.67 . . . . . . . . . . . 4670 1 1115 . 1 1 117 117 LYS HD3 H 1 0.58 . . . . . . . . . . . 4670 1 1116 . 1 1 117 117 LYS C C 13 175.5 . . . . . . . . . . . 4670 1 1117 . 1 1 117 117 LYS CA C 13 53.55 . . . . . . . . . . . 4670 1 1118 . 1 1 117 117 LYS CB C 13 35.85 . . . . . . . . . . . 4670 1 1119 . 1 1 117 117 LYS N N 15 126.1 . . . . . . . . . . . 4670 1 1120 . 1 1 118 118 ARG H H 1 7.70 . . . . . . . . . . . 4670 1 1121 . 1 1 118 118 ARG HA H 1 4.71 . . . . . . . . . . . 4670 1 1122 . 1 1 118 118 ARG C C 13 175.8 . . . . . . . . . . . 4670 1 1123 . 1 1 118 118 ARG CA C 13 56.51 . . . . . . . . . . . 4670 1 1124 . 1 1 118 118 ARG CB C 13 30.87 . . . . . . . . . . . 4670 1 1125 . 1 1 118 118 ARG N N 15 126.6 . . . . . . . . . . . 4670 1 1126 . 1 1 119 119 THR H H 1 8.96 . . . . . . . . . . . 4670 1 1127 . 1 1 119 119 THR HA H 1 4.47 . . . . . . . . . . . 4670 1 1128 . 1 1 119 119 THR HB H 1 4.22 . . . . . . . . . . . 4670 1 1129 . 1 1 119 119 THR HG21 H 1 0.95 . . . . . . . . . . . 4670 1 1130 . 1 1 119 119 THR HG22 H 1 0.95 . . . . . . . . . . . 4670 1 1131 . 1 1 119 119 THR HG23 H 1 0.95 . . . . . . . . . . . 4670 1 1132 . 1 1 119 119 THR C C 13 174.2 . . . . . . . . . . . 4670 1 1133 . 1 1 119 119 THR CA C 13 61.70 . . . . . . . . . . . 4670 1 1134 . 1 1 119 119 THR CB C 13 69.03 . . . . . . . . . . . 4670 1 1135 . 1 1 119 119 THR N N 15 119.2 . . . . . . . . . . . 4670 1 1136 . 1 1 120 120 ALA H H 1 8.12 . . . . . . . . . . . 4670 1 1137 . 1 1 120 120 ALA HA H 1 3.99 . . . . . . . . . . . 4670 1 1138 . 1 1 120 120 ALA HB1 H 1 1.32 . . . . . . . . . . . 4670 1 1139 . 1 1 120 120 ALA HB2 H 1 1.32 . . . . . . . . . . . 4670 1 1140 . 1 1 120 120 ALA HB3 H 1 1.32 . . . . . . . . . . . 4670 1 1141 . 1 1 120 120 ALA C C 13 183.7 . . . . . . . . . . . 4670 1 1142 . 1 1 120 120 ALA CA C 13 54.94 . . . . . . . . . . . 4670 1 1143 . 1 1 120 120 ALA CB C 13 20.75 . . . . . . . . . . . 4670 1 1144 . 1 1 120 120 ALA N N 15 129.0 . . . . . . . . . . . 4670 1 stop_ save_